NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10612 | 1q2f | 5911 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA PRO 1 HA PRO 1 -11.715 9.815 3.328 2 1HB PRO 1 1HB PRO 1 -13.851 11.500 3.183 3 2HB PRO 1 2HB PRO 1 -12.825 11.397 4.651 4 1HG PRO 1 1HG PRO 1 -12.601 13.404 2.389 5 2HG PRO 1 2HG PRO 1 -12.707 13.752 4.146 6 1HD PRO 1 1HD PRO 1 -10.305 13.632 2.864 7 2HD PRO 1 2HD PRO 1 -10.491 12.947 4.507 8 HA PRO 2 HA PRO 2 -11.959 9.629 -1.150 9 1HB PRO 2 1HB PRO 2 -12.817 7.048 -1.309 10 2HB PRO 2 2HB PRO 2 -11.141 7.458 -0.817 11 1HG PRO 2 1HG PRO 2 -13.500 6.881 0.997 12 2HG PRO 2 2HG PRO 2 -11.876 6.120 1.049 13 1HD PRO 2 1HD PRO 2 -12.511 8.227 2.658 14 2HD PRO 2 2HD PRO 2 -10.894 8.121 1.898 15 H LEU 3 H LEU 3 -13.982 8.099 -2.354 16 HA LEU 3 HA LEU 3 -16.346 9.733 -1.644 17 1HB LEU 3 1HB LEU 3 -15.180 8.617 -4.094 18 2HB LEU 3 2HB LEU 3 -16.922 8.284 -3.950 19 HG LEU 3 HG LEU 3 -16.894 10.876 -3.155 20 1HD1 LEU 3 1HD1 LEU 3 -15.157 11.425 -5.387 21 2HD1 LEU 3 2HD1 LEU 3 -14.995 11.959 -3.697 22 3HD1 LEU 3 3HD1 LEU 3 -14.277 10.415 -4.215 23 1HD2 LEU 3 1HD2 LEU 3 -17.010 11.142 -5.916 24 2HD2 LEU 3 2HD2 LEU 3 -17.360 9.413 -5.674 25 3HD2 LEU 3 3HD2 LEU 3 -18.363 10.645 -4.871 26 H SER 4 H SER 4 -15.218 7.117 -0.334 27 HA SER 4 HA SER 4 -16.109 5.248 0.639 28 1HB SER 4 1HB SER 4 -18.926 5.723 0.257 29 2HB SER 4 2HB SER 4 -17.962 5.858 1.747 30 HG SER 4 HG SER 4 -17.352 7.960 1.025 31 H GLN 5 H GLN 5 -15.840 3.374 -0.414 32 HA GLN 5 HA GLN 5 -16.574 1.556 -1.678 33 1HB GLN 5 1HB GLN 5 -18.853 2.955 -1.686 34 2HB GLN 5 2HB GLN 5 -18.381 3.235 -3.379 35 1HG GLN 5 1HG GLN 5 -18.680 1.045 -3.964 36 2HG GLN 5 2HG GLN 5 -18.085 0.441 -2.402 37 1HE2 GLN 5 1HE2 GLN 5 -19.544 0.569 -0.523 38 2HE2 GLN 5 2HE2 GLN 5 -21.274 0.481 -0.779 39 H GLU 6 H GLU 6 -16.081 4.757 -3.178 40 HA GLU 6 HA GLU 6 -15.327 3.998 -5.747 41 1HB GLU 6 1HB GLU 6 -15.251 6.318 -4.161 42 2HB GLU 6 2HB GLU 6 -13.567 6.058 -4.677 43 1HG GLU 6 1HG GLU 6 -15.006 5.493 -6.979 44 2HG GLU 6 2HG GLU 6 -15.933 6.827 -6.261 45 H THR 7 H THR 7 -13.274 4.206 -2.793 46 HA THR 7 HA THR 7 -11.079 2.900 -4.275 47 HB THR 7 HB THR 7 -10.605 3.396 -1.444 48 HG1 THR 7 1HG THR 7 -11.355 5.614 -3.049 49 1HG2 THR 7 1HG2 THR 7 -9.469 4.744 -3.927 50 2HG2 THR 7 2HG2 THR 7 -8.695 4.585 -2.332 51 3HG2 THR 7 3HG2 THR 7 -8.945 3.145 -3.347 52 H PHE 8 H PHE 8 -11.564 2.408 -0.829 53 HA PHE 8 HA PHE 8 -11.126 0.179 0.033 54 1HB PHE 8 1HB PHE 8 -14.079 0.143 -0.553 55 2HB PHE 8 2HB PHE 8 -13.222 -0.358 0.914 56 HD1 PHE 8 1HD PHE 8 -13.290 2.811 -1.114 57 HD2 PHE 8 2HD PHE 8 -13.818 0.952 2.722 58 HE1 PHE 8 1HE PHE 8 -13.728 5.031 -0.098 59 HE2 PHE 8 2HE PHE 8 -14.256 3.171 3.738 60 HZ PHE 8 HZ PHE 8 -14.212 5.211 2.328 61 H SER 9 H SER 9 -13.660 -0.104 -2.529 62 HA SER 9 HA SER 9 -13.643 -2.721 -3.106 63 1HB SER 9 1HB SER 9 -14.787 -0.877 -4.398 64 2HB SER 9 2HB SER 9 -13.257 -0.623 -5.271 65 HG SER 9 HG SER 9 -13.414 -2.988 -5.683 66 H ASP 10 H ASP 10 -11.220 -0.509 -4.623 67 HA ASP 10 HA ASP 10 -9.470 -2.882 -5.001 68 1HB ASP 10 1HB ASP 10 -8.413 -1.641 -6.752 69 2HB ASP 10 2HB ASP 10 -10.165 -1.449 -6.976 70 H LEU 11 H LEU 11 -9.925 -0.001 -3.148 71 HA LEU 11 HA LEU 11 -7.176 0.593 -2.591 72 1HB LEU 11 1HB LEU 11 -9.450 1.928 -2.196 73 2HB LEU 11 2HB LEU 11 -9.354 1.142 -0.602 74 HG LEU 11 HG LEU 11 -7.481 3.132 -1.872 75 1HD1 LEU 11 1HD1 LEU 11 -7.452 3.629 0.764 76 2HD1 LEU 11 2HD1 LEU 11 -8.775 4.201 -0.280 77 3HD1 LEU 11 3HD1 LEU 11 -8.985 2.726 0.694 78 1HD2 LEU 11 1HD2 LEU 11 -5.964 1.319 -1.442 79 2HD2 LEU 11 2HD2 LEU 11 -5.804 2.443 -0.072 80 3HD2 LEU 11 3HD2 LEU 11 -6.748 0.946 0.111 81 H TRP 12 H TRP 12 -9.660 -0.781 -0.358 82 HA TRP 12 HA TRP 12 -7.894 -1.724 1.570 83 1HB TRP 12 1HB TRP 12 -9.816 -2.369 2.484 84 2HB TRP 12 2HB TRP 12 -10.636 -1.891 0.991 85 HD1 TRP 12 HD TRP 12 -12.076 -3.694 0.006 86 HE1 TRP 12 1HE TRP 12 -12.181 -6.238 0.016 87 HE3 TRP 12 3HE TRP 12 -7.878 -4.665 2.769 88 HZ2 TRP 12 2HZ TRP 12 -10.637 -8.438 1.089 89 HZ3 TRP 12 3HZ TRP 12 -7.229 -6.994 3.263 90 HH2 TRP 12 HH TRP 12 -8.594 -8.887 2.434 91 H LYS 13 H LYS 13 -8.861 -3.197 -1.526 92 HA LYS 13 HA LYS 13 -7.558 -5.719 -0.986 93 1HB LYS 13 1HB LYS 13 -9.456 -4.983 -2.720 94 2HB LYS 13 2HB LYS 13 -8.044 -4.739 -3.776 95 1HG LYS 13 1HG LYS 13 -7.973 -7.253 -2.213 96 2HG LYS 13 2HG LYS 13 -9.312 -7.157 -3.382 97 1HD LYS 13 1HD LYS 13 -6.935 -6.116 -4.628 98 2HD LYS 13 2HD LYS 13 -6.548 -7.694 -3.901 99 1HE LYS 13 1HE LYS 13 -8.834 -8.434 -4.977 100 2HE LYS 13 2HE LYS 13 -8.591 -7.013 -6.016 101 1HZ LYS 13 1HZ LYS 13 -6.620 -7.898 -6.811 102 2HZ LYS 13 2HZ LYS 13 -6.532 -9.058 -5.643 103 3HZ LYS 13 3HZ LYS 13 -7.678 -9.163 -6.824 104 H LEU 14 H LEU 14 -6.623 -2.591 -2.339 105 HA LEU 14 HA LEU 14 -4.306 -3.336 -3.743 106 1HB LEU 14 1HB LEU 14 -5.579 -0.948 -2.852 107 2HB LEU 14 2HB LEU 14 -3.881 -0.863 -2.327 108 HG LEU 14 HG LEU 14 -4.540 -0.052 -4.749 109 1HD1 LEU 14 1HD1 LEU 14 -2.303 -0.132 -5.108 110 2HD1 LEU 14 2HD1 LEU 14 -2.205 -0.954 -3.533 111 3HD1 LEU 14 3HD1 LEU 14 -2.273 -1.910 -5.032 112 1HD2 LEU 14 1HD2 LEU 14 -5.157 -1.625 -6.257 113 2HD2 LEU 14 2HD2 LEU 14 -3.877 -2.741 -5.724 114 3HD2 LEU 14 3HD2 LEU 14 -5.435 -2.699 -4.864 115 H LEU 15 H LEU 15 -4.723 -2.467 -0.273 116 HA LEU 15 HA LEU 15 -1.979 -2.811 0.414 117 1HB LEU 15 1HB LEU 15 -4.504 -3.044 2.098 118 2HB LEU 15 2HB LEU 15 -2.849 -2.899 2.737 119 HG LEU 15 HG LEU 15 -4.446 -0.863 1.149 120 1HD1 LEU 15 1HD1 LEU 15 -3.451 0.553 3.104 121 2HD1 LEU 15 2HD1 LEU 15 -4.784 -0.569 3.465 122 3HD1 LEU 15 3HD1 LEU 15 -3.109 -1.021 3.862 123 1HD2 LEU 15 1HD2 LEU 15 -1.454 -1.161 1.498 124 2HD2 LEU 15 2HD2 LEU 15 -2.375 -0.746 0.033 125 3HD2 LEU 15 3HD2 LEU 15 -2.192 0.451 1.337 126 H LYS 16 H LYS 16 -4.379 -5.055 -0.518 127 HA LYS 16 HA LYS 16 -3.481 -7.270 1.124 128 1HB LYS 16 1HB LYS 16 -5.723 -6.721 -0.377 129 2HB LYS 16 2HB LYS 16 -4.853 -7.868 -1.424 130 1HG LYS 16 1HG LYS 16 -4.539 -9.041 1.043 131 2HG LYS 16 2HG LYS 16 -6.150 -8.304 1.208 132 1HD LYS 16 1HD LYS 16 -6.198 -9.399 -1.357 133 2HD LYS 16 2HD LYS 16 -5.298 -10.606 -0.408 134 1HE LYS 16 1HE LYS 16 -7.616 -9.540 1.040 135 2HE LYS 16 2HE LYS 16 -8.075 -10.310 -0.494 136 1HZ LYS 16 1HZ LYS 16 -8.012 -12.085 0.840 137 2HZ LYS 16 2HZ LYS 16 -6.423 -12.091 0.399 138 3HZ LYS 16 3HZ LYS 16 -6.871 -11.469 1.859 139 H LYS 17 H LYS 17 -1.690 -5.591 -0.880 140 HA LYS 17 HA LYS 17 0.009 -7.825 -1.562 141 1HB LYS 17 1HB LYS 17 -0.994 -8.282 -3.545 142 2HB LYS 17 2HB LYS 17 -1.884 -6.741 -3.559 143 1HG LYS 17 1HG LYS 17 1.096 -6.991 -4.136 144 2HG LYS 17 2HG LYS 17 -0.161 -6.949 -5.395 145 1HD LYS 17 1HD LYS 17 -0.780 -4.786 -3.715 146 2HD LYS 17 2HD LYS 17 0.995 -4.751 -3.847 147 1HE LYS 17 1HE LYS 17 -0.009 -3.441 -5.662 148 2HE LYS 17 2HE LYS 17 0.797 -4.883 -6.319 149 1HZ LYS 17 1HZ LYS 17 -1.904 -4.139 -6.461 150 2HZ LYS 17 2HZ LYS 17 -1.104 -5.338 -7.264 151 3HZ LYS 17 3HZ LYS 17 -1.759 -5.634 -5.780 152 H TRP 18 H TRP 18 -0.886 -4.394 -1.927 153 HA TRP 18 HA TRP 18 1.783 -3.553 -2.650 154 1HB TRP 18 1HB TRP 18 -0.656 -2.450 -2.874 155 2HB TRP 18 2HB TRP 18 -0.156 -1.693 -1.355 156 HD1 TRP 18 HD TRP 18 -0.048 -1.167 -4.947 157 HE1 TRP 18 1HE TRP 18 1.630 0.625 -5.625 158 HE3 TRP 18 3HE TRP 18 2.578 -0.822 -0.567 159 HZ2 TRP 18 2HZ TRP 18 3.848 2.042 -4.421 160 HZ3 TRP 18 3HZ TRP 18 4.464 0.757 -0.372 161 HH2 TRP 18 HH TRP 18 5.110 2.193 -2.284 162 H LYS 19 H LYS 19 -0.156 -3.635 0.369 163 HA LYS 19 HA LYS 19 1.339 -2.262 2.155 164 1HB LYS 19 1HB LYS 19 -0.648 -3.636 2.711 165 2HB LYS 19 2HB LYS 19 0.340 -5.109 2.564 166 1HG LYS 19 1HG LYS 19 1.499 -3.016 4.317 167 2HG LYS 19 2HG LYS 19 -0.031 -3.709 4.905 168 1HD LYS 19 1HD LYS 19 1.403 -5.929 3.981 169 2HD LYS 19 2HD LYS 19 2.637 -4.919 4.771 170 1HE LYS 19 1HE LYS 19 1.777 -6.237 6.532 171 2HE LYS 19 2HE LYS 19 0.926 -4.687 6.704 172 1HZ LYS 19 1HZ LYS 19 -0.703 -5.963 5.104 173 2HZ LYS 19 2HZ LYS 19 -0.083 -7.258 5.915 174 3HZ LYS 19 3HZ LYS 19 -0.817 -6.039 6.748 175 H MET 20 H MET 20 2.170 -5.507 0.856 176 HA MET 20 HA MET 20 4.311 -6.281 2.301 177 1HB MET 20 1HB MET 20 4.228 -7.689 0.539 178 2HB MET 20 2HB MET 20 3.540 -6.440 -0.527 179 1HG MET 20 1HG MET 20 6.195 -5.635 -0.017 180 2HG MET 20 2HG MET 20 6.282 -7.381 -0.306 181 1HE MET 20 1HE MET 20 3.937 -4.742 -3.227 182 2HE MET 20 2HE MET 20 3.726 -4.908 -1.467 183 3HE MET 20 3HE MET 20 5.014 -3.864 -2.115 184 H ARG 21 H ARG 21 4.357 -3.645 -0.138 185 HA ARG 21 HA ARG 21 7.131 -2.994 0.629 186 1HB ARG 21 1HB ARG 21 5.235 -2.126 -1.564 187 2HB ARG 21 2HB ARG 21 6.720 -1.210 -1.211 188 1HG ARG 21 1HG ARG 21 8.117 -2.967 -1.846 189 2HG ARG 21 2HG ARG 21 6.878 -4.205 -1.527 190 1HD ARG 21 1HD ARG 21 5.604 -2.850 -3.470 191 2HD ARG 21 2HD ARG 21 7.275 -2.462 -3.932 192 HE ARG 21 HE ARG 21 7.394 -5.159 -3.571 193 1HH1 ARG 21 2HH2 ARG 21 5.185 -3.043 -5.344 194 2HH1 ARG 21 1HH2 ARG 21 4.817 -4.231 -6.575 195 1HH2 ARG 21 2HH1 ARG 21 6.909 -6.728 -5.196 196 2HH2 ARG 21 1HH1 ARG 21 5.800 -6.332 -6.490 197 H ARG 22 H ARG 22 3.841 -1.548 0.587 198 HA ARG 22 HA ARG 22 4.612 0.935 1.755 199 1HB ARG 22 1HB ARG 22 2.477 0.521 0.547 200 2HB ARG 22 2HB ARG 22 1.944 -0.524 1.885 201 1HG ARG 22 1HG ARG 22 2.858 1.893 3.070 202 2HG ARG 22 2HG ARG 22 1.848 2.365 1.683 203 1HD ARG 22 1HD ARG 22 0.507 2.077 3.757 204 2HD ARG 22 2HD ARG 22 0.027 0.933 2.485 205 HE ARG 22 HE ARG 22 1.837 -0.533 3.867 206 1HH1 ARG 22 2HH2 ARG 22 -0.886 1.475 4.892 207 2HH1 ARG 22 1HH2 ARG 22 -1.227 0.524 6.321 208 1HH2 ARG 22 2HH1 ARG 22 1.388 -1.789 5.755 209 2HH2 ARG 22 1HH1 ARG 22 0.070 -1.337 6.812 210 H ASN 23 H ASN 23 5.424 -1.813 3.036 211 HA ASN 23 HA ASN 23 4.986 -0.862 5.797 212 1HB ASN 23 1HB ASN 23 3.412 -2.889 4.716 213 2HB ASN 23 2HB ASN 23 4.701 -3.771 5.563 214 1HD2 ASN 23 1HD2 ASN 23 5.266 -1.984 7.663 215 2HD2 ASN 23 2HD2 ASN 23 3.877 -1.901 8.725 216 H GLN 24 H GLN 24 7.140 -1.365 3.550 217 HA GLN 24 HA GLN 24 9.255 -2.004 5.383 218 1HB GLN 24 1HB GLN 24 8.238 -4.140 3.502 219 2HB GLN 24 2HB GLN 24 9.957 -4.075 3.961 220 1HG GLN 24 1HG GLN 24 8.808 -3.772 6.404 221 2HG GLN 24 2HG GLN 24 7.559 -4.749 5.602 222 1HE2 GLN 24 1HE2 GLN 24 8.629 -6.603 4.160 223 2HE2 GLN 24 2HE2 GLN 24 9.827 -7.561 5.003 224 H PHE 25 H PHE 25 9.543 -3.237 2.133 225 HA PHE 25 HA PHE 25 11.684 -1.842 1.286 226 1HB PHE 25 1HB PHE 25 10.810 -3.414 -0.204 227 2HB PHE 25 2HB PHE 25 9.190 -2.698 -0.167 228 HD1 PHE 25 1HD PHE 25 9.180 -0.116 -1.005 229 HD2 PHE 25 2HD PHE 25 12.022 -3.127 -2.147 230 HE1 PHE 25 1HE PHE 25 9.690 1.151 -3.075 231 HE2 PHE 25 2HE PHE 25 12.533 -1.860 -4.217 232 HZ PHE 25 HZ PHE 25 11.366 0.279 -4.681 233 H TRP 26 H TRP 26 8.343 -0.577 1.416 234 HA TRP 26 HA TRP 26 8.657 1.814 0.036 235 1HB TRP 26 1HB TRP 26 6.729 2.514 1.110 236 2HB TRP 26 2HB TRP 26 6.617 0.753 1.239 237 HD1 TRP 26 HD TRP 26 6.420 -0.259 3.577 238 HE1 TRP 26 1HE TRP 26 6.362 0.631 5.963 239 HE3 TRP 26 3HE TRP 26 7.823 4.579 2.668 240 HZ2 TRP 26 2HZ TRP 26 6.861 3.137 7.323 241 HZ3 TRP 26 3HZ TRP 26 8.021 6.185 4.531 242 HH2 TRP 26 HH TRP 26 7.544 5.482 6.858 243 H VAL 27 H VAL 27 9.531 1.048 3.429 244 HA VAL 27 HA VAL 27 10.195 3.481 4.459 245 HB VAL 27 HB VAL 27 11.821 2.350 5.824 246 1HG1 VAL 27 1HG1 VAL 27 9.239 1.248 5.214 247 2HG1 VAL 27 2HG1 VAL 27 10.354 -0.100 5.544 248 3HG1 VAL 27 3HG1 VAL 27 10.130 1.187 6.754 249 1HG2 VAL 27 1HG2 VAL 27 11.928 0.425 3.481 250 2HG2 VAL 27 2HG2 VAL 27 13.266 1.310 4.252 251 3HG2 VAL 27 3HG2 VAL 27 12.490 -0.047 5.103 252 H LYS 28 H LYS 28 12.184 1.561 2.160 253 HA LYS 28 HA LYS 28 14.367 3.383 2.076 254 1HB LYS 28 1HB LYS 28 13.301 1.243 0.220 255 2HB LYS 28 2HB LYS 28 14.715 2.231 -0.219 256 1HG LYS 28 1HG LYS 28 14.515 0.785 2.445 257 2HG LYS 28 2HG LYS 28 15.193 0.009 0.993 258 1HD LYS 28 1HD LYS 28 16.733 2.046 0.791 259 2HD LYS 28 2HD LYS 28 16.195 2.496 2.426 260 1HE LYS 28 1HE LYS 28 17.049 0.455 3.362 261 2HE LYS 28 2HE LYS 28 17.327 -0.242 1.751 262 1HZ LYS 28 1HZ LYS 28 18.695 2.148 2.758 263 2HZ LYS 28 2HZ LYS 28 19.317 0.623 2.849 264 3HZ LYS 28 3HZ LYS 28 19.031 1.311 1.378 265 H VAL 29 H VAL 29 11.294 3.171 0.276 266 HA VAL 29 HA VAL 29 11.731 4.915 -1.813 267 HB VAL 29 HB VAL 29 9.300 4.686 0.003 268 1HG1 VAL 29 1HG1 VAL 29 8.512 6.449 -1.176 269 2HG1 VAL 29 2HG1 VAL 29 9.912 6.424 -2.275 270 3HG1 VAL 29 3HG1 VAL 29 8.509 5.377 -2.597 271 1HG2 VAL 29 1HG2 VAL 29 9.834 3.457 -2.729 272 2HG2 VAL 29 2HG2 VAL 29 10.183 2.613 -1.201 273 3HG2 VAL 29 3HG2 VAL 29 8.511 3.077 -1.599 274 H GLN 30 H GLN 30 11.954 5.587 1.562 275 HA GLN 30 HA GLN 30 11.603 8.494 1.138 276 1HB GLN 30 1HB GLN 30 11.145 8.616 3.368 277 2HB GLN 30 2HB GLN 30 10.811 6.878 3.180 278 1HG GLN 30 1HG GLN 30 13.245 6.442 3.718 279 2HG GLN 30 2HG GLN 30 13.407 8.169 4.104 280 1HE2 GLN 30 1HE2 GLN 30 13.973 6.283 6.053 281 2HE2 GLN 30 2HE2 GLN 30 12.729 6.311 7.285 282 H ARG 31 H ARG 31 14.026 6.047 2.123 283 HA ARG 31 HA ARG 31 16.274 6.408 2.696 284 1HB ARG 31 1HB ARG 31 16.292 5.717 0.382 285 2HB ARG 31 2HB ARG 31 15.913 7.367 -0.167 286 1HG ARG 31 1HG ARG 31 18.298 7.002 -0.453 287 2HG ARG 31 2HG ARG 31 18.068 8.139 0.897 288 1HD ARG 31 1HD ARG 31 17.990 5.382 1.832 289 2HD ARG 31 2HD ARG 31 19.495 5.703 0.944 290 HE ARG 31 HE ARG 31 18.717 6.773 3.532 291 1HH1 ARG 31 2HH2 ARG 31 20.624 7.312 0.604 292 2HH1 ARG 31 1HH2 ARG 31 21.783 8.363 1.387 293 1HH2 ARG 31 2HH1 ARG 31 20.247 8.162 4.566 294 2HH2 ARG 31 1HH1 ARG 31 21.567 8.848 3.646 295 H GLY 32 H GLY 32 16.208 8.005 4.347 296 1HA GLY 32 1HA GLY 32 16.718 10.036 5.288 297 2HA GLY 32 2HA GLY 32 17.686 10.349 3.829 Start of MODEL 2 1 HA PRO 1 HA PRO 1 -12.956 10.774 1.994 2 1HB PRO 1 1HB PRO 1 -14.531 12.949 1.537 3 2HB PRO 1 2HB PRO 1 -13.442 12.853 2.959 4 1HG PRO 1 1HG PRO 1 -12.875 14.187 0.295 5 2HG PRO 1 2HG PRO 1 -12.710 14.907 1.930 6 1HD PRO 1 1HD PRO 1 -10.575 13.815 0.635 7 2HD PRO 1 2HD PRO 1 -10.789 13.573 2.396 8 HA PRO 2 HA PRO 2 -13.246 10.255 -2.607 9 1HB PRO 2 1HB PRO 2 -13.211 7.531 -2.629 10 2HB PRO 2 2HB PRO 2 -11.709 8.495 -2.440 11 1HG PRO 2 1HG PRO 2 -13.397 7.270 -0.239 12 2HG PRO 2 2HG PRO 2 -11.629 7.090 -0.483 13 1HD PRO 2 1HD PRO 2 -12.645 8.952 1.229 14 2HD PRO 2 2HD PRO 2 -11.239 9.344 0.192 15 H LEU 3 H LEU 3 -15.123 10.009 0.097 16 HA LEU 3 HA LEU 3 -17.444 10.081 0.204 17 1HB LEU 3 1HB LEU 3 -17.070 10.164 -2.530 18 2HB LEU 3 2HB LEU 3 -17.998 8.659 -2.322 19 HG LEU 3 HG LEU 3 -19.535 10.555 -2.594 20 1HD1 LEU 3 1HD1 LEU 3 -19.596 9.920 0.360 21 2HD1 LEU 3 2HD1 LEU 3 -20.947 10.037 -0.792 22 3HD1 LEU 3 3HD1 LEU 3 -19.860 8.628 -0.835 23 1HD2 LEU 3 1HD2 LEU 3 -17.770 12.186 -1.607 24 2HD2 LEU 3 2HD2 LEU 3 -19.482 12.488 -1.225 25 3HD2 LEU 3 3HD2 LEU 3 -18.425 11.712 -0.021 26 H SER 4 H SER 4 -15.312 7.568 0.008 27 HA SER 4 HA SER 4 -15.380 5.496 1.011 28 1HB SER 4 1HB SER 4 -17.481 6.765 2.218 29 2HB SER 4 2HB SER 4 -18.317 5.413 1.415 30 HG SER 4 HG SER 4 -17.453 4.965 3.556 31 H GLN 5 H GLN 5 -15.449 3.497 0.071 32 HA GLN 5 HA GLN 5 -16.288 1.788 -1.282 33 1HB GLN 5 1HB GLN 5 -18.534 3.178 -1.098 34 2HB GLN 5 2HB GLN 5 -18.105 3.683 -2.750 35 1HG GLN 5 1HG GLN 5 -17.618 0.947 -2.783 36 2HG GLN 5 2HG GLN 5 -19.068 1.082 -1.764 37 1HE2 GLN 5 1HE2 GLN 5 -19.885 -0.180 -3.761 38 2HE2 GLN 5 2HE2 GLN 5 -20.558 0.786 -5.058 39 H GLU 6 H GLU 6 -15.723 5.071 -2.553 40 HA GLU 6 HA GLU 6 -15.081 4.478 -5.199 41 1HB GLU 6 1HB GLU 6 -14.794 6.657 -3.385 42 2HB GLU 6 2HB GLU 6 -13.210 6.403 -4.157 43 1HG GLU 6 1HG GLU 6 -15.622 6.259 -5.920 44 2HG GLU 6 2HG GLU 6 -15.173 7.863 -5.302 45 H THR 7 H THR 7 -12.937 4.406 -2.304 46 HA THR 7 HA THR 7 -10.830 3.147 -3.946 47 HB THR 7 HB THR 7 -10.263 3.433 -1.100 48 HG1 THR 7 1HG THR 7 -11.459 5.177 -0.917 49 1HG2 THR 7 1HG2 THR 7 -8.666 3.245 -3.069 50 2HG2 THR 7 2HG2 THR 7 -9.135 4.902 -3.516 51 3HG2 THR 7 3HG2 THR 7 -8.328 4.595 -1.960 52 H PHE 8 H PHE 8 -11.226 2.428 -0.529 53 HA PHE 8 HA PHE 8 -10.833 0.132 0.163 54 1HB PHE 8 1HB PHE 8 -13.802 0.223 -0.332 55 2HB PHE 8 2HB PHE 8 -12.919 -0.405 1.070 56 HD1 PHE 8 1HD PHE 8 -12.940 2.901 -0.729 57 HD2 PHE 8 2HD PHE 8 -13.428 0.790 2.980 58 HE1 PHE 8 1HE PHE 8 -13.279 5.055 0.452 59 HE2 PHE 8 2HE PHE 8 -13.767 2.945 4.161 60 HZ PHE 8 HZ PHE 8 -13.693 5.077 2.897 61 H SER 9 H SER 9 -13.446 0.104 -2.334 62 HA SER 9 HA SER 9 -13.528 -2.466 -3.091 63 1HB SER 9 1HB SER 9 -14.650 -0.501 -4.215 64 2HB SER 9 2HB SER 9 -13.139 -0.233 -5.117 65 HG SER 9 HG SER 9 -14.266 -1.559 -6.400 66 H ASP 10 H ASP 10 -11.083 -0.223 -4.525 67 HA ASP 10 HA ASP 10 -9.422 -2.612 -5.132 68 1HB ASP 10 1HB ASP 10 -9.915 0.018 -6.406 69 2HB ASP 10 2HB ASP 10 -8.216 -0.502 -6.387 70 H LEU 11 H LEU 11 -9.713 0.166 -3.079 71 HA LEU 11 HA LEU 11 -6.938 0.611 -2.546 72 1HB LEU 11 1HB LEU 11 -9.170 1.969 -1.974 73 2HB LEU 11 2HB LEU 11 -9.025 1.071 -0.444 74 HG LEU 11 HG LEU 11 -7.140 3.087 -1.665 75 1HD1 LEU 11 1HD1 LEU 11 -8.871 2.854 0.634 76 2HD1 LEU 11 2HD1 LEU 11 -7.190 3.044 1.188 77 3HD1 LEU 11 3HD1 LEU 11 -7.911 4.255 0.101 78 1HD2 LEU 11 1HD2 LEU 11 -5.605 1.311 -1.372 79 2HD2 LEU 11 2HD2 LEU 11 -5.494 2.220 0.154 80 3HD2 LEU 11 3HD2 LEU 11 -6.438 0.713 0.082 81 H TRP 12 H TRP 12 -9.384 -0.812 -0.307 82 HA TRP 12 HA TRP 12 -7.587 -1.978 1.459 83 1HB TRP 12 1HB TRP 12 -9.496 -2.601 2.413 84 2HB TRP 12 2HB TRP 12 -10.356 -1.980 0.997 85 HD1 TRP 12 HD TRP 12 -11.926 -3.640 -0.036 86 HE1 TRP 12 1HE TRP 12 -12.151 -6.171 -0.205 87 HE3 TRP 12 3HE TRP 12 -7.653 -4.996 2.433 88 HZ2 TRP 12 2HZ TRP 12 -10.664 -8.510 0.628 89 HZ3 TRP 12 3HZ TRP 12 -7.092 -7.381 2.725 90 HH2 TRP 12 HH TRP 12 -8.583 -9.146 1.831 91 H LYS 13 H LYS 13 -8.784 -3.198 -1.672 92 HA LYS 13 HA LYS 13 -7.606 -5.808 -1.389 93 1HB LYS 13 1HB LYS 13 -9.444 -4.696 -3.060 94 2HB LYS 13 2HB LYS 13 -8.003 -4.665 -4.106 95 1HG LYS 13 1HG LYS 13 -8.842 -7.139 -2.551 96 2HG LYS 13 2HG LYS 13 -9.421 -6.802 -4.200 97 1HD LYS 13 1HD LYS 13 -6.710 -6.368 -4.457 98 2HD LYS 13 2HD LYS 13 -6.755 -7.695 -3.271 99 1HE LYS 13 1HE LYS 13 -8.591 -7.926 -5.616 100 2HE LYS 13 2HE LYS 13 -6.855 -8.103 -5.947 101 1HZ LYS 13 1HZ LYS 13 -7.948 -9.546 -3.698 102 2HZ LYS 13 2HZ LYS 13 -8.332 -10.092 -5.206 103 3HZ LYS 13 3HZ LYS 13 -6.751 -9.972 -4.750 104 H LEU 14 H LEU 14 -6.511 -2.652 -2.579 105 HA LEU 14 HA LEU 14 -4.219 -3.517 -3.998 106 1HB LEU 14 1HB LEU 14 -5.366 -1.037 -3.002 107 2HB LEU 14 2HB LEU 14 -3.599 -1.051 -2.783 108 HG LEU 14 HG LEU 14 -4.721 -0.291 -5.096 109 1HD1 LEU 14 1HD1 LEU 14 -2.463 -2.044 -5.718 110 2HD1 LEU 14 2HD1 LEU 14 -2.553 -0.267 -5.737 111 3HD1 LEU 14 3HD1 LEU 14 -2.184 -1.123 -4.221 112 1HD2 LEU 14 1HD2 LEU 14 -4.101 -2.998 -6.049 113 2HD2 LEU 14 2HD2 LEU 14 -5.508 -2.970 -4.959 114 3HD2 LEU 14 3HD2 LEU 14 -5.495 -1.955 -6.422 115 H LEU 15 H LEU 15 -4.674 -2.591 -0.551 116 HA LEU 15 HA LEU 15 -1.944 -2.980 0.184 117 1HB LEU 15 1HB LEU 15 -4.576 -2.850 1.663 118 2HB LEU 15 2HB LEU 15 -3.067 -3.245 2.521 119 HG LEU 15 HG LEU 15 -3.421 -0.799 0.740 120 1HD1 LEU 15 1HD1 LEU 15 -4.226 0.380 2.511 121 2HD1 LEU 15 2HD1 LEU 15 -4.662 -1.213 3.176 122 3HD1 LEU 15 3HD1 LEU 15 -3.137 -0.434 3.660 123 1HD2 LEU 15 1HD2 LEU 15 -1.107 -1.428 0.939 124 2HD2 LEU 15 2HD2 LEU 15 -1.368 -0.085 2.078 125 3HD2 LEU 15 3HD2 LEU 15 -1.282 -1.758 2.679 126 H LYS 16 H LYS 16 -4.374 -5.180 -0.761 127 HA LYS 16 HA LYS 16 -3.578 -7.386 0.941 128 1HB LYS 16 1HB LYS 16 -5.717 -6.785 -0.769 129 2HB LYS 16 2HB LYS 16 -4.860 -8.119 -1.578 130 1HG LYS 16 1HG LYS 16 -4.810 -9.002 1.004 131 2HG LYS 16 2HG LYS 16 -6.338 -8.089 1.008 132 1HD LYS 16 1HD LYS 16 -7.270 -9.412 -0.719 133 2HD LYS 16 2HD LYS 16 -5.681 -10.039 -1.217 134 1HE LYS 16 1HE LYS 16 -5.516 -11.148 1.058 135 2HE LYS 16 2HE LYS 16 -7.208 -10.681 1.335 136 1HZ LYS 16 1HZ LYS 16 -7.921 -12.214 -0.075 137 2HZ LYS 16 2HZ LYS 16 -6.672 -12.031 -1.136 138 3HZ LYS 16 3HZ LYS 16 -6.473 -12.944 0.223 139 H LYS 17 H LYS 17 -1.689 -5.786 -1.040 140 HA LYS 17 HA LYS 17 -0.022 -8.071 -1.627 141 1HB LYS 17 1HB LYS 17 -0.979 -8.546 -3.628 142 2HB LYS 17 2HB LYS 17 -1.830 -6.984 -3.701 143 1HG LYS 17 1HG LYS 17 1.160 -7.316 -4.180 144 2HG LYS 17 2HG LYS 17 -0.055 -7.277 -5.479 145 1HD LYS 17 1HD LYS 17 -0.681 -5.061 -3.875 146 2HD LYS 17 2HD LYS 17 1.098 -5.069 -3.942 147 1HE LYS 17 1HE LYS 17 0.171 -5.702 -6.558 148 2HE LYS 17 2HE LYS 17 -0.795 -4.321 -5.995 149 1HZ LYS 17 1HZ LYS 17 1.562 -4.066 -7.079 150 2HZ LYS 17 2HZ LYS 17 0.990 -3.016 -5.943 151 3HZ LYS 17 3HZ LYS 17 2.039 -4.211 -5.507 152 H TRP 18 H TRP 18 -0.827 -4.629 -2.114 153 HA TRP 18 HA TRP 18 1.879 -3.862 -2.765 154 1HB TRP 18 1HB TRP 18 -0.526 -2.711 -3.083 155 2HB TRP 18 2HB TRP 18 -0.054 -1.933 -1.566 156 HD1 TRP 18 HD TRP 18 0.190 -1.509 -5.172 157 HE1 TRP 18 1HE TRP 18 1.920 0.238 -5.834 158 HE3 TRP 18 3HE TRP 18 2.648 -1.074 -0.704 159 HZ2 TRP 18 2HZ TRP 18 4.111 1.659 -4.585 160 HZ3 TRP 18 3HZ TRP 18 4.549 0.483 -0.479 161 HH2 TRP 18 HH TRP 18 5.291 1.853 -2.405 162 H LYS 19 H LYS 19 -0.142 -3.863 0.198 163 HA LYS 19 HA LYS 19 1.312 -2.477 2.005 164 1HB LYS 19 1HB LYS 19 -0.694 -3.828 2.533 165 2HB LYS 19 2HB LYS 19 0.283 -5.312 2.420 166 1HG LYS 19 1HG LYS 19 1.305 -3.138 4.208 167 2HG LYS 19 2HG LYS 19 -0.131 -4.032 4.759 168 1HD LYS 19 1HD LYS 19 2.177 -5.607 3.655 169 2HD LYS 19 2HD LYS 19 2.342 -4.909 5.284 170 1HE LYS 19 1HE LYS 19 1.019 -6.510 6.143 171 2HE LYS 19 2HE LYS 19 -0.283 -6.074 5.015 172 1HZ LYS 19 1HZ LYS 19 1.756 -8.117 4.770 173 2HZ LYS 19 2HZ LYS 19 0.147 -8.184 4.415 174 3HZ LYS 19 3HZ LYS 19 1.185 -7.411 3.393 175 H MET 20 H MET 20 2.172 -5.728 0.748 176 HA MET 20 HA MET 20 4.252 -6.530 2.249 177 1HB MET 20 1HB MET 20 4.138 -7.884 0.429 178 2HB MET 20 2HB MET 20 3.681 -6.550 -0.657 179 1HG MET 20 1HG MET 20 6.288 -5.927 0.088 180 2HG MET 20 2HG MET 20 6.324 -7.691 -0.074 181 1HE MET 20 1HE MET 20 3.930 -5.287 -2.207 182 2HE MET 20 2HE MET 20 5.343 -4.336 -1.692 183 3HE MET 20 3HE MET 20 5.112 -4.726 -3.413 184 H ARG 21 H ARG 21 4.407 -3.834 -0.118 185 HA ARG 21 HA ARG 21 7.132 -3.192 0.841 186 1HB ARG 21 1HB ARG 21 5.439 -2.410 -1.535 187 2HB ARG 21 2HB ARG 21 6.839 -1.420 -1.058 188 1HG ARG 21 1HG ARG 21 8.368 -3.100 -1.547 189 2HG ARG 21 2HG ARG 21 7.189 -4.402 -1.259 190 1HD ARG 21 1HD ARG 21 5.986 -3.188 -3.350 191 2HD ARG 21 2HD ARG 21 7.673 -2.762 -3.712 192 HE ARG 21 HE ARG 21 7.786 -5.458 -3.162 193 1HH1 ARG 21 2HH2 ARG 21 5.890 -3.419 -5.341 194 2HH1 ARG 21 1HH2 ARG 21 5.713 -4.656 -6.565 195 1HH2 ARG 21 2HH1 ARG 21 7.552 -7.092 -4.779 196 2HH2 ARG 21 1HH1 ARG 21 6.661 -6.750 -6.245 197 H ARG 22 H ARG 22 3.850 -1.773 0.509 198 HA ARG 22 HA ARG 22 4.519 0.735 1.699 199 1HB ARG 22 1HB ARG 22 2.516 0.400 0.321 200 2HB ARG 22 2HB ARG 22 1.870 -0.754 1.512 201 1HG ARG 22 1HG ARG 22 1.063 1.731 1.614 202 2HG ARG 22 2HG ARG 22 1.522 0.922 3.132 203 1HD ARG 22 1HD ARG 22 2.485 3.267 2.767 204 2HD ARG 22 2HD ARG 22 3.654 1.992 3.176 205 HE ARG 22 HE ARG 22 4.662 2.330 1.133 206 1HH1 ARG 22 2HH2 ARG 22 1.335 3.522 1.032 207 2HH1 ARG 22 1HH2 ARG 22 1.476 4.182 -0.582 208 1HH2 ARG 22 2HH1 ARG 22 4.848 3.202 -0.999 209 2HH2 ARG 22 1HH1 ARG 22 3.479 3.999 -1.740 210 H ASN 23 H ASN 23 5.245 -1.961 3.091 211 HA ASN 23 HA ASN 23 4.500 -0.998 5.782 212 1HB ASN 23 1HB ASN 23 3.097 -3.068 4.587 213 2HB ASN 23 2HB ASN 23 4.344 -3.923 5.519 214 1HD2 ASN 23 1HD2 ASN 23 4.419 -3.706 7.809 215 2HD2 ASN 23 2HD2 ASN 23 3.057 -3.079 8.712 216 H GLN 24 H GLN 24 6.883 -1.475 3.754 217 HA GLN 24 HA GLN 24 8.838 -1.967 5.790 218 1HB GLN 24 1HB GLN 24 8.047 -4.230 3.953 219 2HB GLN 24 2HB GLN 24 9.723 -4.082 4.535 220 1HG GLN 24 1HG GLN 24 8.359 -3.684 6.861 221 2HG GLN 24 2HG GLN 24 7.235 -4.774 6.019 222 1HE2 GLN 24 1HE2 GLN 24 7.849 -6.233 7.870 223 2HE2 GLN 24 2HE2 GLN 24 9.274 -7.232 7.681 224 H PHE 25 H PHE 25 9.438 -3.347 2.640 225 HA PHE 25 HA PHE 25 11.614 -1.954 1.904 226 1HB PHE 25 1HB PHE 25 10.868 -3.592 0.413 227 2HB PHE 25 2HB PHE 25 9.248 -2.885 0.289 228 HD1 PHE 25 1HD PHE 25 9.303 -0.334 -0.643 229 HD2 PHE 25 2HD PHE 25 12.233 -3.374 -1.435 230 HE1 PHE 25 1HE PHE 25 9.979 0.856 -2.712 231 HE2 PHE 25 2HE PHE 25 12.908 -2.184 -3.503 232 HZ PHE 25 HZ PHE 25 11.782 -0.069 -4.141 233 H TRP 26 H TRP 26 8.258 -0.729 1.693 234 HA TRP 26 HA TRP 26 8.672 1.618 0.267 235 1HB TRP 26 1HB TRP 26 6.649 2.332 1.140 236 2HB TRP 26 2HB TRP 26 6.541 0.574 1.313 237 HD1 TRP 26 HD TRP 26 6.141 -0.372 3.653 238 HE1 TRP 26 1HE TRP 26 5.855 0.587 5.995 239 HE3 TRP 26 3HE TRP 26 7.575 4.454 2.729 240 HZ2 TRP 26 2HZ TRP 26 6.204 3.137 7.318 241 HZ3 TRP 26 3HZ TRP 26 7.585 6.117 4.553 242 HH2 TRP 26 HH TRP 26 6.904 5.477 6.847 243 H VAL 27 H VAL 27 9.237 0.980 3.752 244 HA VAL 27 HA VAL 27 9.781 3.455 4.752 245 HB VAL 27 HB VAL 27 11.284 2.393 6.299 246 1HG1 VAL 27 1HG1 VAL 27 9.533 1.230 7.110 247 2HG1 VAL 27 2HG1 VAL 27 8.781 1.239 5.497 248 3HG1 VAL 27 3HG1 VAL 27 9.875 -0.086 5.962 249 1HG2 VAL 27 1HG2 VAL 27 11.627 0.387 4.047 250 2HG2 VAL 27 2HG2 VAL 27 12.879 1.325 4.897 251 3HG2 VAL 27 3HG2 VAL 27 12.051 -0.013 5.729 252 H LYS 28 H LYS 28 11.996 1.484 2.719 253 HA LYS 28 HA LYS 28 14.157 3.331 2.769 254 1HB LYS 28 1HB LYS 28 13.287 1.117 0.896 255 2HB LYS 28 2HB LYS 28 14.727 2.107 0.558 256 1HG LYS 28 1HG LYS 28 14.249 0.644 3.186 257 2HG LYS 28 2HG LYS 28 15.212 -0.017 1.843 258 1HD LYS 28 1HD LYS 28 16.963 1.051 2.822 259 2HD LYS 28 2HD LYS 28 16.260 2.529 2.123 260 1HE LYS 28 1HE LYS 28 14.749 2.216 4.403 261 2HE LYS 28 2HE LYS 28 16.329 1.602 4.935 262 1HZ LYS 28 1HZ LYS 28 15.572 4.202 4.703 263 2HZ LYS 28 2HZ LYS 28 17.094 3.633 4.984 264 3HZ LYS 28 3HZ LYS 28 16.607 3.959 3.442 265 H VAL 29 H VAL 29 11.263 3.020 0.707 266 HA VAL 29 HA VAL 29 11.872 4.697 -1.395 267 HB VAL 29 HB VAL 29 9.288 4.499 0.201 268 1HG1 VAL 29 1HG1 VAL 29 8.540 5.120 -2.334 269 2HG1 VAL 29 2HG1 VAL 29 8.792 6.346 -1.069 270 3HG1 VAL 29 3HG1 VAL 29 10.079 6.009 -2.250 271 1HG2 VAL 29 1HG2 VAL 29 10.078 3.188 -2.428 272 2HG2 VAL 29 2HG2 VAL 29 10.296 2.399 -0.848 273 3HG2 VAL 29 3HG2 VAL 29 8.663 2.828 -1.410 274 H GLN 30 H GLN 30 11.782 5.486 1.961 275 HA GLN 30 HA GLN 30 11.449 8.374 1.403 276 1HB GLN 30 1HB GLN 30 10.784 8.570 3.575 277 2HB GLN 30 2HB GLN 30 10.477 6.824 3.416 278 1HG GLN 30 1HG GLN 30 12.855 6.429 4.193 279 2HG GLN 30 2HG GLN 30 12.964 8.168 4.541 280 1HE2 GLN 30 1HE2 GLN 30 12.822 8.487 6.690 281 2HE2 GLN 30 2HE2 GLN 30 11.672 7.711 7.758 282 H ARG 31 H ARG 31 13.787 5.983 2.683 283 HA ARG 31 HA ARG 31 15.969 6.383 3.452 284 1HB ARG 31 1HB ARG 31 16.263 5.620 1.202 285 2HB ARG 31 2HB ARG 31 15.827 7.211 0.534 286 1HG ARG 31 1HG ARG 31 17.940 7.979 0.768 287 2HG ARG 31 2HG ARG 31 18.029 7.409 2.452 288 1HD ARG 31 1HD ARG 31 18.506 5.118 1.652 289 2HD ARG 31 2HD ARG 31 18.415 5.685 -0.030 290 HE ARG 31 HE ARG 31 20.310 7.301 1.281 291 1HH1 ARG 31 2HH2 ARG 31 19.832 3.905 0.421 292 2HH1 ARG 31 1HH2 ARG 31 21.541 3.559 0.278 293 1HH2 ARG 31 2HH1 ARG 31 22.567 6.843 1.092 294 2HH2 ARG 31 1HH1 ARG 31 23.100 5.234 0.661 295 H GLY 32 H GLY 32 16.308 8.999 1.137 296 1HA GLY 32 1HA GLY 32 16.110 11.030 3.279 297 2HA GLY 32 2HA GLY 32 17.674 10.823 2.457 Start of MODEL 3 1 HA PRO 1 HA PRO 1 -10.222 9.179 4.283 2 1HB PRO 1 1HB PRO 1 -11.355 11.657 4.295 3 2HB PRO 1 2HB PRO 1 -10.267 11.108 5.612 4 1HG PRO 1 1HG PRO 1 -9.523 12.763 3.183 5 2HG PRO 1 2HG PRO 1 -9.178 13.138 4.903 6 1HD PRO 1 1HD PRO 1 -7.330 11.914 3.317 7 2HD PRO 1 2HD PRO 1 -7.541 11.407 5.021 8 HA PRO 2 HA PRO 2 -10.858 9.359 -0.257 9 1HB PRO 2 1HB PRO 2 -11.865 6.841 -0.510 10 2HB PRO 2 2HB PRO 2 -10.110 7.139 -0.294 11 1HG PRO 2 1HG PRO 2 -12.135 6.452 1.854 12 2HG PRO 2 2HG PRO 2 -10.570 5.636 1.533 13 1HD PRO 2 1HD PRO 2 -10.797 7.579 3.431 14 2HD PRO 2 2HD PRO 2 -9.349 7.500 2.381 15 H LEU 3 H LEU 3 -13.142 8.032 -1.214 16 HA LEU 3 HA LEU 3 -15.251 9.667 0.065 17 1HB LEU 3 1HB LEU 3 -14.869 8.374 -2.640 18 2HB LEU 3 2HB LEU 3 -16.486 8.877 -2.092 19 HG LEU 3 HG LEU 3 -15.018 11.093 -1.444 20 1HD1 LEU 3 1HD1 LEU 3 -13.576 9.577 -3.573 21 2HD1 LEU 3 2HD1 LEU 3 -13.802 11.318 -3.862 22 3HD1 LEU 3 3HD1 LEU 3 -12.957 10.762 -2.398 23 1HD2 LEU 3 1HD2 LEU 3 -16.295 12.123 -3.070 24 2HD2 LEU 3 2HD2 LEU 3 -15.947 10.872 -4.287 25 3HD2 LEU 3 3HD2 LEU 3 -17.139 10.558 -3.004 26 H SER 4 H SER 4 -14.037 6.878 0.875 27 HA SER 4 HA SER 4 -14.860 5.011 1.912 28 1HB SER 4 1HB SER 4 -17.674 6.062 1.661 29 2HB SER 4 2HB SER 4 -16.916 5.169 3.001 30 HG SER 4 HG SER 4 -17.151 7.380 3.490 31 H GLN 5 H GLN 5 -14.939 3.091 0.918 32 HA GLN 5 HA GLN 5 -15.733 1.394 -0.427 33 1HB GLN 5 1HB GLN 5 -17.979 1.572 -0.508 34 2HB GLN 5 2HB GLN 5 -17.912 3.351 -0.509 35 1HG GLN 5 1HG GLN 5 -17.530 3.410 -2.891 36 2HG GLN 5 2HG GLN 5 -17.299 1.649 -2.953 37 1HE2 GLN 5 1HE2 GLN 5 -19.343 3.746 -4.100 38 2HE2 GLN 5 2HE2 GLN 5 -20.890 2.981 -3.803 39 H GLU 6 H GLU 6 -15.805 4.633 -2.008 40 HA GLU 6 HA GLU 6 -15.305 4.038 -4.610 41 1HB GLU 6 1HB GLU 6 -15.119 6.286 -3.056 42 2HB GLU 6 2HB GLU 6 -13.417 6.044 -3.519 43 1HG GLU 6 1HG GLU 6 -13.817 6.496 -5.718 44 2HG GLU 6 2HG GLU 6 -15.384 5.658 -5.708 45 H THR 7 H THR 7 -12.843 4.027 -1.985 46 HA THR 7 HA THR 7 -10.904 2.829 -3.870 47 HB THR 7 HB THR 7 -10.040 3.192 -1.094 48 HG1 THR 7 1HG THR 7 -11.133 5.365 -2.556 49 1HG2 THR 7 1HG2 THR 7 -8.205 4.325 -2.189 50 2HG2 THR 7 2HG2 THR 7 -8.636 2.918 -3.190 51 3HG2 THR 7 3HG2 THR 7 -9.160 4.549 -3.675 52 H PHE 8 H PHE 8 -10.803 2.134 -0.436 53 HA PHE 8 HA PHE 8 -10.259 -0.155 0.191 54 1HB PHE 8 1HB PHE 8 -13.269 -0.122 0.183 55 2HB PHE 8 2HB PHE 8 -12.157 -0.703 1.433 56 HD1 PHE 8 1HD PHE 8 -12.582 2.562 -0.391 57 HD2 PHE 8 2HD PHE 8 -12.346 0.522 3.382 58 HE1 PHE 8 1HE PHE 8 -12.779 4.732 0.794 59 HE2 PHE 8 2HE PHE 8 -12.543 2.692 4.567 60 HZ PHE 8 HZ PHE 8 -12.760 4.797 3.273 61 H SER 9 H SER 9 -13.243 -0.240 -1.846 62 HA SER 9 HA SER 9 -13.390 -2.823 -2.567 63 1HB SER 9 1HB SER 9 -14.716 -0.849 -3.480 64 2HB SER 9 2HB SER 9 -13.408 -0.629 -4.667 65 HG SER 9 HG SER 9 -14.070 -2.330 -5.702 66 H ASP 10 H ASP 10 -11.290 -0.522 -4.401 67 HA ASP 10 HA ASP 10 -9.766 -2.844 -5.414 68 1HB ASP 10 1HB ASP 10 -10.640 -0.436 -6.546 69 2HB ASP 10 2HB ASP 10 -8.897 -0.201 -6.297 70 H LEU 11 H LEU 11 -9.568 -0.111 -3.205 71 HA LEU 11 HA LEU 11 -6.720 -0.022 -2.975 72 1HB LEU 11 1HB LEU 11 -8.765 1.535 -2.110 73 2HB LEU 11 2HB LEU 11 -8.403 0.647 -0.610 74 HG LEU 11 HG LEU 11 -5.958 1.235 -0.970 75 1HD1 LEU 11 1HD1 LEU 11 -6.487 3.569 -2.603 76 2HD1 LEU 11 2HD1 LEU 11 -5.319 2.254 -2.876 77 3HD1 LEU 11 3HD1 LEU 11 -6.988 2.099 -3.475 78 1HD2 LEU 11 1HD2 LEU 11 -8.170 2.889 -0.085 79 2HD2 LEU 11 2HD2 LEU 11 -6.517 2.786 0.567 80 3HD2 LEU 11 3HD2 LEU 11 -6.881 3.912 -0.763 81 H TRP 12 H TRP 12 -9.111 -1.244 -0.558 82 HA TRP 12 HA TRP 12 -7.318 -2.616 1.054 83 1HB TRP 12 1HB TRP 12 -9.213 -3.089 2.116 84 2HB TRP 12 2HB TRP 12 -10.104 -2.372 0.766 85 HD1 TRP 12 HD TRP 12 -11.875 -3.878 -0.173 86 HE1 TRP 12 1HE TRP 12 -12.315 -6.379 -0.369 87 HE3 TRP 12 3HE TRP 12 -7.565 -5.626 1.963 88 HZ2 TRP 12 2HZ TRP 12 -10.968 -8.847 0.316 89 HZ3 TRP 12 3HZ TRP 12 -7.180 -8.054 2.173 90 HH2 TRP 12 HH TRP 12 -8.867 -9.674 1.357 91 H LYS 13 H LYS 13 -8.847 -3.662 -2.000 92 HA LYS 13 HA LYS 13 -7.822 -6.354 -1.847 93 1HB LYS 13 1HB LYS 13 -9.810 -5.293 -3.235 94 2HB LYS 13 2HB LYS 13 -8.531 -5.000 -4.438 95 1HG LYS 13 1HG LYS 13 -7.898 -7.420 -4.288 96 2HG LYS 13 2HG LYS 13 -9.272 -7.679 -3.188 97 1HD LYS 13 1HD LYS 13 -10.814 -6.827 -4.954 98 2HD LYS 13 2HD LYS 13 -9.426 -6.655 -6.055 99 1HE LYS 13 1HE LYS 13 -9.173 -8.935 -6.320 100 2HE LYS 13 2HE LYS 13 -9.815 -9.302 -4.704 101 1HZ LYS 13 1HZ LYS 13 -11.802 -8.121 -6.243 102 2HZ LYS 13 2HZ LYS 13 -11.146 -9.363 -7.108 103 3HZ LYS 13 3HZ LYS 13 -11.758 -9.640 -5.601 104 H LEU 14 H LEU 14 -6.653 -3.248 -3.072 105 HA LEU 14 HA LEU 14 -4.503 -4.380 -4.637 106 1HB LEU 14 1HB LEU 14 -5.405 -1.668 -3.748 107 2HB LEU 14 2HB LEU 14 -3.701 -1.853 -4.226 108 HG LEU 14 HG LEU 14 -5.880 -1.496 -5.953 109 1HD1 LEU 14 1HD1 LEU 14 -3.236 -1.261 -6.124 110 2HD1 LEU 14 2HD1 LEU 14 -3.366 -2.861 -6.892 111 3HD1 LEU 14 3HD1 LEU 14 -4.226 -1.467 -7.589 112 1HD2 LEU 14 1HD2 LEU 14 -6.146 -4.080 -5.312 113 2HD2 LEU 14 2HD2 LEU 14 -6.404 -3.507 -6.978 114 3HD2 LEU 14 3HD2 LEU 14 -4.857 -4.262 -6.526 115 H LEU 15 H LEU 15 -4.889 -3.109 -1.319 116 HA LEU 15 HA LEU 15 -2.108 -3.168 -0.657 117 1HB LEU 15 1HB LEU 15 -4.652 -2.619 0.630 118 2HB LEU 15 2HB LEU 15 -3.619 -3.611 1.688 119 HG LEU 15 HG LEU 15 -1.725 -1.978 1.147 120 1HD1 LEU 15 1HD1 LEU 15 -2.446 0.265 0.356 121 2HD1 LEU 15 2HD1 LEU 15 -2.743 -0.990 -0.871 122 3HD1 LEU 15 3HD1 LEU 15 -4.093 -0.363 0.106 123 1HD2 LEU 15 1HD2 LEU 15 -2.289 -0.681 2.986 124 2HD2 LEU 15 2HD2 LEU 15 -3.970 -0.459 2.447 125 3HD2 LEU 15 3HD2 LEU 15 -3.466 -2.003 3.174 126 H LYS 16 H LYS 16 -4.335 -5.655 -1.322 127 HA LYS 16 HA LYS 16 -3.397 -7.616 0.568 128 1HB LYS 16 1HB LYS 16 -5.523 -7.409 -1.154 129 2HB LYS 16 2HB LYS 16 -4.476 -8.556 -2.023 130 1HG LYS 16 1HG LYS 16 -4.339 -9.987 -0.037 131 2HG LYS 16 2HG LYS 16 -5.289 -8.813 0.904 132 1HD LYS 16 1HD LYS 16 -7.239 -9.173 -0.482 133 2HD LYS 16 2HD LYS 16 -6.304 -10.156 -1.633 134 1HE LYS 16 1HE LYS 16 -5.785 -11.682 0.397 135 2HE LYS 16 2HE LYS 16 -7.117 -10.829 1.209 136 1HZ LYS 16 1HZ LYS 16 -7.202 -12.580 -1.109 137 2HZ LYS 16 2HZ LYS 16 -8.152 -12.576 0.239 138 3HZ LYS 16 3HZ LYS 16 -8.364 -11.425 -0.922 139 H LYS 17 H LYS 17 -1.531 -6.013 -1.418 140 HA LYS 17 HA LYS 17 0.373 -8.163 -1.707 141 1HB LYS 17 1HB LYS 17 -0.338 -8.890 -3.725 142 2HB LYS 17 2HB LYS 17 -1.407 -7.485 -3.951 143 1HG LYS 17 1HG LYS 17 1.619 -7.457 -4.319 144 2HG LYS 17 2HG LYS 17 0.431 -7.559 -5.640 145 1HD LYS 17 1HD LYS 17 -0.390 -5.389 -4.004 146 2HD LYS 17 2HD LYS 17 1.370 -5.219 -4.207 147 1HE LYS 17 1HE LYS 17 -0.252 -5.935 -6.624 148 2HE LYS 17 2HE LYS 17 -0.370 -4.269 -6.018 149 1HZ LYS 17 1HZ LYS 17 1.365 -4.444 -7.600 150 2HZ LYS 17 2HZ LYS 17 2.036 -4.168 -6.119 151 3HZ LYS 17 3HZ LYS 17 2.088 -5.679 -6.779 152 H TRP 18 H TRP 18 -0.718 -4.860 -2.048 153 HA TRP 18 HA TRP 18 1.990 -3.904 -2.708 154 1HB TRP 18 1HB TRP 18 -0.509 -3.040 -3.379 155 2HB TRP 18 2HB TRP 18 -0.161 -1.999 -1.992 156 HD1 TRP 18 HD TRP 18 0.188 -2.078 -5.589 157 HE1 TRP 18 1HE TRP 18 1.882 -0.385 -6.456 158 HE3 TRP 18 3HE TRP 18 2.536 -0.954 -1.182 159 HZ2 TRP 18 2HZ TRP 18 4.004 1.261 -5.378 160 HZ3 TRP 18 3HZ TRP 18 4.386 0.678 -1.142 161 HH2 TRP 18 HH TRP 18 5.131 1.792 -3.226 162 H LYS 19 H LYS 19 -0.418 -3.791 -0.050 163 HA LYS 19 HA LYS 19 0.758 -2.084 1.734 164 1HB LYS 19 1HB LYS 19 -1.332 -3.593 1.965 165 2HB LYS 19 2HB LYS 19 -0.209 -4.816 2.609 166 1HG LYS 19 1HG LYS 19 0.617 -2.748 4.091 167 2HG LYS 19 2HG LYS 19 -1.036 -2.170 3.771 168 1HD LYS 19 1HD LYS 19 -1.760 -3.536 5.415 169 2HD LYS 19 2HD LYS 19 -1.289 -4.920 4.400 170 1HE LYS 19 1HE LYS 19 0.955 -4.915 5.349 171 2HE LYS 19 2HE LYS 19 0.602 -3.434 6.266 172 1HZ LYS 19 1HZ LYS 19 -1.090 -4.671 7.441 173 2HZ LYS 19 2HZ LYS 19 -0.688 -6.046 6.624 174 3HZ LYS 19 3HZ LYS 19 0.402 -5.343 7.643 175 H MET 20 H MET 20 1.593 -5.576 1.361 176 HA MET 20 HA MET 20 3.487 -6.005 3.206 177 1HB MET 20 1HB MET 20 4.844 -7.122 1.251 178 2HB MET 20 2HB MET 20 3.220 -7.729 1.656 179 1HG MET 20 1HG MET 20 2.603 -7.326 -0.457 180 2HG MET 20 2HG MET 20 2.791 -5.596 -0.126 181 1HE MET 20 1HE MET 20 3.512 -5.176 -3.049 182 2HE MET 20 2HE MET 20 3.631 -4.290 -1.509 183 3HE MET 20 3HE MET 20 5.055 -4.429 -2.570 184 H ARG 21 H ARG 21 3.960 -3.969 0.295 185 HA ARG 21 HA ARG 21 6.657 -3.237 1.243 186 1HB ARG 21 1HB ARG 21 5.089 -2.968 -1.305 187 2HB ARG 21 2HB ARG 21 6.399 -1.806 -0.984 188 1HG ARG 21 1HG ARG 21 7.937 -3.743 -0.545 189 2HG ARG 21 2HG ARG 21 6.626 -4.844 -1.030 190 1HD ARG 21 1HD ARG 21 6.713 -2.959 -3.090 191 2HD ARG 21 2HD ARG 21 8.424 -3.224 -2.689 192 HE ARG 21 HE ARG 21 7.498 -5.769 -2.823 193 1HH1 ARG 21 2HH2 ARG 21 7.117 -2.969 -4.949 194 2HH1 ARG 21 1HH2 ARG 21 6.988 -3.923 -6.409 195 1HH2 ARG 21 2HH1 ARG 21 7.326 -7.029 -4.752 196 2HH2 ARG 21 1HH1 ARG 21 7.107 -6.238 -6.297 197 H ARG 22 H ARG 22 3.494 -1.720 0.436 198 HA ARG 22 HA ARG 22 4.269 0.912 1.229 199 1HB ARG 22 1HB ARG 22 2.355 0.486 -0.236 200 2HB ARG 22 2HB ARG 22 1.538 -0.422 1.059 201 1HG ARG 22 1HG ARG 22 0.911 2.094 0.698 202 2HG ARG 22 2HG ARG 22 1.178 1.509 2.358 203 1HD ARG 22 1HD ARG 22 2.343 3.699 1.757 204 2HD ARG 22 2HD ARG 22 3.388 2.427 2.426 205 HE ARG 22 HE ARG 22 4.555 2.407 0.442 206 1HH1 ARG 22 2HH2 ARG 22 1.340 3.782 -0.080 207 2HH1 ARG 22 1HH2 ARG 22 1.640 4.200 -1.752 208 1HH2 ARG 22 2HH1 ARG 22 4.952 2.959 -1.767 209 2HH2 ARG 22 1HH1 ARG 22 3.699 3.731 -2.714 210 H ASN 23 H ASN 23 4.747 -1.482 3.127 211 HA ASN 23 HA ASN 23 3.885 -0.024 5.537 212 1HB ASN 23 1HB ASN 23 2.426 -2.227 4.585 213 2HB ASN 23 2HB ASN 23 3.458 -2.887 5.872 214 1HD2 ASN 23 1HD2 ASN 23 2.499 -2.896 7.819 215 2HD2 ASN 23 2HD2 ASN 23 1.377 -1.689 8.410 216 H GLN 24 H GLN 24 6.354 -0.971 3.854 217 HA GLN 24 HA GLN 24 8.057 -1.385 6.143 218 1HB GLN 24 1HB GLN 24 7.374 -3.710 4.326 219 2HB GLN 24 2HB GLN 24 8.928 -3.626 5.190 220 1HG GLN 24 1HG GLN 24 7.305 -3.045 7.247 221 2HG GLN 24 2HG GLN 24 6.150 -3.971 6.266 222 1HE2 GLN 24 1HE2 GLN 24 6.256 -6.176 6.257 223 2HE2 GLN 24 2HE2 GLN 24 7.524 -7.109 7.022 224 H PHE 25 H PHE 25 8.966 -3.032 3.224 225 HA PHE 25 HA PHE 25 11.264 -1.734 2.663 226 1HB PHE 25 1HB PHE 25 10.652 -3.558 1.303 227 2HB PHE 25 2HB PHE 25 9.129 -2.797 0.811 228 HD1 PHE 25 1HD PHE 25 9.512 -0.395 -0.391 229 HD2 PHE 25 2HD PHE 25 12.331 -3.634 -0.280 230 HE1 PHE 25 1HE PHE 25 10.611 0.492 -2.429 231 HE2 PHE 25 2HE PHE 25 13.430 -2.747 -2.318 232 HZ PHE 25 HZ PHE 25 12.571 -0.684 -3.393 233 H TRP 26 H TRP 26 7.998 -0.597 1.684 234 HA TRP 26 HA TRP 26 8.606 1.571 0.121 235 1HB TRP 26 1HB TRP 26 6.509 2.390 0.651 236 2HB TRP 26 2HB TRP 26 6.354 0.675 1.058 237 HD1 TRP 26 HD TRP 26 5.671 0.075 3.444 238 HE1 TRP 26 1HE TRP 26 5.149 1.358 5.582 239 HE3 TRP 26 3HE TRP 26 7.304 4.713 2.023 240 HZ2 TRP 26 2HZ TRP 26 5.403 4.067 6.566 241 HZ3 TRP 26 3HZ TRP 26 7.148 6.617 3.585 242 HH2 TRP 26 HH TRP 26 6.202 6.312 5.854 243 H VAL 27 H VAL 27 8.769 1.389 3.700 244 HA VAL 27 HA VAL 27 9.249 3.982 4.411 245 HB VAL 27 HB VAL 27 10.552 3.121 6.256 246 1HG1 VAL 27 1HG1 VAL 27 8.613 2.236 6.990 247 2HG1 VAL 27 2HG1 VAL 27 8.099 1.896 5.320 248 3HG1 VAL 27 3HG1 VAL 27 9.065 0.698 6.216 249 1HG2 VAL 27 1HG2 VAL 27 11.146 0.561 6.067 250 2HG2 VAL 27 2HG2 VAL 27 11.070 0.865 4.315 251 3HG2 VAL 27 3HG2 VAL 27 12.224 1.768 5.326 252 H LYS 28 H LYS 28 11.605 1.719 2.919 253 HA LYS 28 HA LYS 28 13.816 3.514 3.000 254 1HB LYS 28 1HB LYS 28 13.106 1.100 1.311 255 2HB LYS 28 2HB LYS 28 14.629 1.994 1.089 256 1HG LYS 28 1HG LYS 28 13.699 0.905 3.775 257 2HG LYS 28 2HG LYS 28 14.776 0.012 2.675 258 1HD LYS 28 1HD LYS 28 16.551 1.198 3.396 259 2HD LYS 28 2HD LYS 28 15.738 2.723 2.967 260 1HE LYS 28 1HE LYS 28 14.424 2.476 5.148 261 2HE LYS 28 2HE LYS 28 15.557 1.176 5.576 262 1HZ LYS 28 1HZ LYS 28 16.854 2.755 6.313 263 2HZ LYS 28 2HZ LYS 28 17.098 3.255 4.760 264 3HZ LYS 28 3HZ LYS 28 15.922 3.958 5.679 265 H VAL 29 H VAL 29 11.167 2.988 0.673 266 HA VAL 29 HA VAL 29 12.077 4.345 -1.550 267 HB VAL 29 HB VAL 29 9.321 4.423 -0.261 268 1HG1 VAL 29 1HG1 VAL 29 9.038 4.663 -3.015 269 2HG1 VAL 29 2HG1 VAL 29 8.898 5.994 -1.842 270 3HG1 VAL 29 3HG1 VAL 29 10.445 5.696 -2.669 271 1HG2 VAL 29 1HG2 VAL 29 10.371 2.178 -0.893 272 2HG2 VAL 29 2HG2 VAL 29 8.825 2.557 -1.689 273 3HG2 VAL 29 3HG2 VAL 29 10.354 2.747 -2.580 274 H GLN 30 H GLN 30 11.642 5.588 1.635 275 HA GLN 30 HA GLN 30 11.479 8.378 0.660 276 1HB GLN 30 1HB GLN 30 10.574 8.885 2.691 277 2HB GLN 30 2HB GLN 30 10.224 7.140 2.732 278 1HG GLN 30 1HG GLN 30 12.476 6.804 3.836 279 2HG GLN 30 2HG GLN 30 12.615 8.572 3.953 280 1HE2 GLN 30 1HE2 GLN 30 12.590 8.647 6.221 281 2HE2 GLN 30 2HE2 GLN 30 11.161 8.268 7.157 282 H ARG 31 H ARG 31 13.559 6.142 2.531 283 HA ARG 31 HA ARG 31 15.649 6.603 3.496 284 1HB ARG 31 1HB ARG 31 16.133 5.514 1.401 285 2HB ARG 31 2HB ARG 31 15.916 7.033 0.499 286 1HG ARG 31 1HG ARG 31 17.826 7.528 2.572 287 2HG ARG 31 2HG ARG 31 18.300 6.019 1.756 288 1HD ARG 31 1HD ARG 31 18.021 7.206 -0.449 289 2HD ARG 31 2HD ARG 31 17.743 8.712 0.451 290 HE ARG 31 HE ARG 31 20.167 7.560 1.369 291 1HH1 ARG 31 2HH2 ARG 31 18.766 9.041 -1.520 292 2HH1 ARG 31 1HH2 ARG 31 20.291 9.671 -2.103 293 1HH2 ARG 31 2HH1 ARG 31 22.181 8.392 0.599 294 2HH2 ARG 31 1HH1 ARG 31 22.237 9.301 -0.895 295 H GLY 32 H GLY 32 15.029 8.537 4.720 296 1HA GLY 32 1HA GLY 32 16.770 10.640 4.570 297 2HA GLY 32 2HA GLY 32 15.439 11.148 3.505 Start of MODEL 4 1 HA PRO 1 HA PRO 1 -15.668 12.293 -0.639 2 1HB PRO 1 1HB PRO 1 -16.594 13.800 1.433 3 2HB PRO 1 2HB PRO 1 -15.646 14.519 0.091 4 1HG PRO 1 1HG PRO 1 -18.664 14.426 0.367 5 2HG PRO 1 2HG PRO 1 -17.645 15.867 0.045 6 1HD PRO 1 1HD PRO 1 -18.848 14.496 -1.981 7 2HD PRO 1 2HD PRO 1 -17.184 15.127 -2.175 8 HA PRO 2 HA PRO 2 -19.320 9.610 0.430 9 1HB PRO 2 1HB PRO 2 -18.232 7.234 -0.341 10 2HB PRO 2 2HB PRO 2 -18.942 8.378 -1.527 11 1HG PRO 2 1HG PRO 2 -16.023 8.106 -0.757 12 2HG PRO 2 2HG PRO 2 -16.718 8.089 -2.410 13 1HD PRO 2 1HD PRO 2 -15.697 10.369 -1.322 14 2HD PRO 2 2HD PRO 2 -17.190 10.424 -2.308 15 H LEU 3 H LEU 3 -18.692 7.127 1.525 16 HA LEU 3 HA LEU 3 -17.163 7.969 3.917 17 1HB LEU 3 1HB LEU 3 -19.590 6.567 3.502 18 2HB LEU 3 2HB LEU 3 -18.425 5.371 4.118 19 HG LEU 3 HG LEU 3 -19.670 6.601 5.934 20 1HD1 LEU 3 1HD1 LEU 3 -16.662 7.065 5.751 21 2HD1 LEU 3 2HD1 LEU 3 -17.622 7.149 7.247 22 3HD1 LEU 3 3HD1 LEU 3 -17.466 5.605 6.375 23 1HD2 LEU 3 1HD2 LEU 3 -19.214 8.940 6.325 24 2HD2 LEU 3 2HD2 LEU 3 -17.996 8.977 5.027 25 3HD2 LEU 3 3HD2 LEU 3 -19.719 8.780 4.625 26 H SER 4 H SER 4 -17.384 5.381 1.447 27 HA SER 4 HA SER 4 -14.649 4.938 1.223 28 1HB SER 4 1HB SER 4 -14.464 2.768 2.557 29 2HB SER 4 2HB SER 4 -14.489 4.270 3.512 30 HG SER 4 HG SER 4 -16.509 3.856 4.145 31 H GLN 5 H GLN 5 -14.591 4.050 -0.748 32 HA GLN 5 HA GLN 5 -15.617 1.556 -1.440 33 1HB GLN 5 1HB GLN 5 -17.566 2.302 -2.907 34 2HB GLN 5 2HB GLN 5 -17.862 2.329 -1.153 35 1HG GLN 5 1HG GLN 5 -16.937 4.819 -1.393 36 2HG GLN 5 2HG GLN 5 -17.485 4.613 -3.071 37 1HE2 GLN 5 1HE2 GLN 5 -18.963 6.437 -2.344 38 2HE2 GLN 5 2HE2 GLN 5 -20.486 5.985 -1.610 39 H GLU 6 H GLU 6 -15.483 4.902 -2.791 40 HA GLU 6 HA GLU 6 -14.852 4.480 -5.387 41 1HB GLU 6 1HB GLU 6 -14.818 6.650 -3.931 42 2HB GLU 6 2HB GLU 6 -13.079 6.309 -3.763 43 1HG GLU 6 1HG GLU 6 -13.084 7.617 -5.686 44 2HG GLU 6 2HG GLU 6 -13.201 5.988 -6.386 45 H THR 7 H THR 7 -12.219 4.715 -2.923 46 HA THR 7 HA THR 7 -10.451 3.220 -4.723 47 HB THR 7 HB THR 7 -9.473 3.794 -2.015 48 HG1 THR 7 1HG THR 7 -10.154 5.757 -1.870 49 1HG2 THR 7 1HG2 THR 7 -7.664 4.826 -3.297 50 2HG2 THR 7 2HG2 THR 7 -8.103 3.274 -4.050 51 3HG2 THR 7 3HG2 THR 7 -8.658 4.804 -4.773 52 H PHE 8 H PHE 8 -10.337 2.823 -1.220 53 HA PHE 8 HA PHE 8 -9.779 0.591 -0.407 54 1HB PHE 8 1HB PHE 8 -12.789 0.630 -0.421 55 2HB PHE 8 2HB PHE 8 -11.680 0.146 0.873 56 HD1 PHE 8 1HD PHE 8 -12.080 3.258 -1.207 57 HD2 PHE 8 2HD PHE 8 -11.875 1.522 2.717 58 HE1 PHE 8 1HE PHE 8 -12.269 5.516 -0.199 59 HE2 PHE 8 2HE PHE 8 -12.064 3.780 3.725 60 HZ PHE 8 HZ PHE 8 -12.261 5.777 2.267 61 H SER 9 H SER 9 -12.750 0.352 -2.453 62 HA SER 9 HA SER 9 -12.922 -2.279 -2.952 63 1HB SER 9 1HB SER 9 -14.231 -0.415 -4.051 64 2HB SER 9 2HB SER 9 -12.889 -0.240 -5.207 65 HG SER 9 HG SER 9 -14.278 -1.657 -6.127 66 H ASP 10 H ASP 10 -10.781 -0.181 -4.974 67 HA ASP 10 HA ASP 10 -9.268 -2.600 -5.744 68 1HB ASP 10 1HB ASP 10 -9.888 0.007 -6.924 69 2HB ASP 10 2HB ASP 10 -8.156 -0.380 -7.015 70 H LEU 11 H LEU 11 -9.068 0.313 -3.782 71 HA LEU 11 HA LEU 11 -6.222 0.403 -3.530 72 1HB LEU 11 1HB LEU 11 -8.269 2.036 -2.818 73 2HB LEU 11 2HB LEU 11 -7.918 1.280 -1.246 74 HG LEU 11 HG LEU 11 -5.477 1.834 -1.618 75 1HD1 LEU 11 1HD1 LEU 11 -6.449 2.431 -4.220 76 2HD1 LEU 11 2HD1 LEU 11 -5.962 3.984 -3.500 77 3HD1 LEU 11 3HD1 LEU 11 -4.792 2.646 -3.606 78 1HD2 LEU 11 1HD2 LEU 11 -6.471 4.522 -1.746 79 2HD2 LEU 11 2HD2 LEU 11 -7.672 3.534 -0.881 80 3HD2 LEU 11 3HD2 LEU 11 -5.988 3.592 -0.307 81 H TRP 12 H TRP 12 -8.638 -0.587 -1.034 82 HA TRP 12 HA TRP 12 -6.868 -1.832 0.700 83 1HB TRP 12 1HB TRP 12 -8.774 -2.198 1.785 84 2HB TRP 12 2HB TRP 12 -9.650 -1.590 0.373 85 HD1 TRP 12 HD TRP 12 -11.427 -3.155 -0.451 86 HE1 TRP 12 1HE TRP 12 -11.890 -5.660 -0.436 87 HE3 TRP 12 3HE TRP 12 -7.150 -4.753 1.863 88 HZ2 TRP 12 2HZ TRP 12 -10.571 -8.072 0.468 89 HZ3 TRP 12 3HZ TRP 12 -6.789 -7.157 2.283 90 HH2 TRP 12 HH TRP 12 -8.486 -8.826 1.594 91 H LYS 13 H LYS 13 -8.380 -3.119 -2.268 92 HA LYS 13 HA LYS 13 -7.394 -5.800 -1.880 93 1HB LYS 13 1HB LYS 13 -9.347 -4.850 -3.376 94 2HB LYS 13 2HB LYS 13 -8.051 -4.633 -4.578 95 1HG LYS 13 1HG LYS 13 -7.491 -7.157 -3.703 96 2HG LYS 13 2HG LYS 13 -9.259 -7.135 -3.502 97 1HD LYS 13 1HD LYS 13 -9.056 -5.971 -5.951 98 2HD LYS 13 2HD LYS 13 -7.615 -7.015 -5.990 99 1HE LYS 13 1HE LYS 13 -10.055 -8.299 -4.898 100 2HE LYS 13 2HE LYS 13 -10.159 -7.845 -6.613 101 1HZ LYS 13 1HZ LYS 13 -7.716 -8.963 -6.328 102 2HZ LYS 13 2HZ LYS 13 -8.688 -9.916 -5.397 103 3HZ LYS 13 3HZ LYS 13 -9.048 -9.676 -6.988 104 H LEU 14 H LEU 14 -6.171 -2.829 -3.374 105 HA LEU 14 HA LEU 14 -4.027 -4.087 -4.817 106 1HB LEU 14 1HB LEU 14 -4.913 -1.334 -4.117 107 2HB LEU 14 2HB LEU 14 -3.173 -1.537 -4.434 108 HG LEU 14 HG LEU 14 -5.124 -1.208 -6.375 109 1HD1 LEU 14 1HD1 LEU 14 -2.988 -2.726 -7.517 110 2HD1 LEU 14 2HD1 LEU 14 -3.176 -0.956 -7.479 111 3HD1 LEU 14 3HD1 LEU 14 -2.306 -1.788 -6.167 112 1HD2 LEU 14 1HD2 LEU 14 -4.309 -4.059 -6.761 113 2HD2 LEU 14 2HD2 LEU 14 -5.599 -3.752 -5.574 114 3HD2 LEU 14 3HD2 LEU 14 -5.797 -3.221 -7.261 115 H LEU 15 H LEU 15 -4.367 -2.594 -1.580 116 HA LEU 15 HA LEU 15 -1.594 -2.766 -0.902 117 1HB LEU 15 1HB LEU 15 -4.073 -1.920 0.302 118 2HB LEU 15 2HB LEU 15 -3.195 -2.965 1.444 119 HG LEU 15 HG LEU 15 -1.104 -1.553 0.773 120 1HD1 LEU 15 1HD1 LEU 15 -1.486 0.602 -0.138 121 2HD1 LEU 15 2HD1 LEU 15 -2.498 -0.472 -1.132 122 3HD1 LEU 15 3HD1 LEU 15 -3.240 0.510 0.154 123 1HD2 LEU 15 1HD2 LEU 15 -2.831 0.306 2.236 124 2HD2 LEU 15 2HD2 LEU 15 -3.023 -1.368 2.809 125 3HD2 LEU 15 3HD2 LEU 15 -1.414 -0.608 2.804 126 H LYS 16 H LYS 16 -3.959 -5.160 -1.404 127 HA LYS 16 HA LYS 16 -3.183 -7.032 0.631 128 1HB LYS 16 1HB LYS 16 -5.226 -6.839 -1.188 129 2HB LYS 16 2HB LYS 16 -4.208 -8.092 -1.937 130 1HG LYS 16 1HG LYS 16 -4.183 -8.818 0.738 131 2HG LYS 16 2HG LYS 16 -5.840 -8.205 0.520 132 1HD LYS 16 1HD LYS 16 -6.429 -9.939 -0.832 133 2HD LYS 16 2HD LYS 16 -4.873 -9.914 -1.696 134 1HE LYS 16 1HE LYS 16 -4.034 -11.567 -0.409 135 2HE LYS 16 2HE LYS 16 -4.550 -10.755 1.085 136 1HZ LYS 16 1HZ LYS 16 -5.989 -12.387 1.226 137 2HZ LYS 16 2HZ LYS 16 -6.836 -11.658 0.012 138 3HZ LYS 16 3HZ LYS 16 -5.778 -12.875 -0.335 139 H LYS 17 H LYS 17 -1.172 -5.669 -1.410 140 HA LYS 17 HA LYS 17 0.632 -7.926 -1.456 141 1HB LYS 17 1HB LYS 17 -0.076 -8.759 -3.440 142 2HB LYS 17 2HB LYS 17 -1.007 -7.292 -3.829 143 1HG LYS 17 1HG LYS 17 2.026 -7.538 -4.027 144 2HG LYS 17 2HG LYS 17 0.902 -7.660 -5.402 145 1HD LYS 17 1HD LYS 17 0.179 -5.301 -3.999 146 2HD LYS 17 2HD LYS 17 1.955 -5.286 -4.109 147 1HE LYS 17 1HE LYS 17 1.080 -6.189 -6.626 148 2HE LYS 17 2HE LYS 17 -0.039 -4.875 -6.202 149 1HZ LYS 17 1HZ LYS 17 1.917 -3.527 -5.722 150 2HZ LYS 17 2HZ LYS 17 2.890 -4.735 -6.282 151 3HZ LYS 17 3HZ LYS 17 1.830 -3.991 -7.303 152 H TRP 18 H TRP 18 -0.268 -4.606 -2.040 153 HA TRP 18 HA TRP 18 2.503 -3.831 -2.676 154 1HB TRP 18 1HB TRP 18 0.059 -2.882 -3.454 155 2HB TRP 18 2HB TRP 18 0.454 -1.769 -2.138 156 HD1 TRP 18 HD TRP 18 0.791 -2.058 -5.705 157 HE1 TRP 18 1HE TRP 18 2.611 -0.558 -6.666 158 HE3 TRP 18 3HE TRP 18 3.267 -0.921 -1.373 159 HZ2 TRP 18 2HZ TRP 18 4.872 0.957 -5.682 160 HZ3 TRP 18 3HZ TRP 18 5.247 0.551 -1.425 161 HH2 TRP 18 HH TRP 18 6.061 1.496 -3.565 162 H LYS 19 H LYS 19 0.023 -3.376 -0.115 163 HA LYS 19 HA LYS 19 1.238 -1.645 1.601 164 1HB LYS 19 1HB LYS 19 -0.925 -3.035 1.868 165 2HB LYS 19 2HB LYS 19 0.119 -4.272 2.608 166 1HG LYS 19 1HG LYS 19 0.653 -1.569 3.637 167 2HG LYS 19 2HG LYS 19 -1.021 -2.100 3.931 168 1HD LYS 19 1HD LYS 19 0.965 -4.219 4.424 169 2HD LYS 19 2HD LYS 19 1.191 -2.795 5.467 170 1HE LYS 19 1HE LYS 19 -1.558 -3.123 5.484 171 2HE LYS 19 2HE LYS 19 -0.974 -4.800 5.445 172 1HZ LYS 19 1HZ LYS 19 0.476 -3.190 7.256 173 2HZ LYS 19 2HZ LYS 19 -1.133 -3.215 7.616 174 3HZ LYS 19 3HZ LYS 19 -0.292 -4.629 7.505 175 H MET 20 H MET 20 1.917 -5.189 1.472 176 HA MET 20 HA MET 20 3.747 -5.575 3.393 177 1HB MET 20 1HB MET 20 5.086 -6.896 1.559 178 2HB MET 20 2HB MET 20 3.424 -7.390 1.961 179 1HG MET 20 1HG MET 20 2.873 -7.105 -0.189 180 2HG MET 20 2HG MET 20 3.153 -5.368 0.022 181 1HE MET 20 1HE MET 20 5.527 -4.511 -2.443 182 2HE MET 20 2HE MET 20 3.961 -5.216 -2.911 183 3HE MET 20 3HE MET 20 4.085 -4.222 -1.439 184 H ARG 21 H ARG 21 4.385 -3.788 0.352 185 HA ARG 21 HA ARG 21 7.092 -3.113 1.317 186 1HB ARG 21 1HB ARG 21 5.600 -2.963 -1.287 187 2HB ARG 21 2HB ARG 21 6.960 -1.846 -1.017 188 1HG ARG 21 1HG ARG 21 8.382 -3.823 -0.388 189 2HG ARG 21 2HG ARG 21 7.028 -4.888 -0.836 190 1HD ARG 21 1HD ARG 21 7.191 -3.279 -3.050 191 2HD ARG 21 2HD ARG 21 8.897 -3.352 -2.558 192 HE ARG 21 HE ARG 21 7.743 -5.974 -2.514 193 1HH1 ARG 21 2HH2 ARG 21 8.861 -3.432 -4.701 194 2HH1 ARG 21 1HH2 ARG 21 9.277 -4.536 -5.992 195 1HH2 ARG 21 2HH1 ARG 21 8.292 -7.433 -4.220 196 2HH2 ARG 21 1HH1 ARG 21 8.953 -6.817 -5.718 197 H ARG 22 H ARG 22 4.023 -1.519 0.322 198 HA ARG 22 HA ARG 22 4.901 1.129 0.919 199 1HB ARG 22 1HB ARG 22 2.958 0.555 -0.528 200 2HB ARG 22 2HB ARG 22 2.085 -0.027 0.910 201 1HG ARG 22 1HG ARG 22 3.082 2.543 1.582 202 2HG ARG 22 2HG ARG 22 2.404 2.690 -0.057 203 1HD ARG 22 1HD ARG 22 0.689 3.100 1.692 204 2HD ARG 22 2HD ARG 22 0.298 1.680 0.698 205 HE ARG 22 HE ARG 22 1.624 0.532 2.758 206 1HH1 ARG 22 2HH2 ARG 22 -0.938 2.966 2.642 207 2HH1 ARG 22 1HH2 ARG 22 -1.642 2.495 4.172 208 1HH2 ARG 22 2HH1 ARG 22 0.693 -0.090 4.779 209 2HH2 ARG 22 1HH1 ARG 22 -0.712 0.753 5.391 210 H ASN 23 H ASN 23 5.195 -1.167 3.006 211 HA ASN 23 HA ASN 23 4.412 0.534 5.283 212 1HB ASN 23 1HB ASN 23 2.828 -1.639 4.484 213 2HB ASN 23 2HB ASN 23 3.809 -2.267 5.825 214 1HD2 ASN 23 1HD2 ASN 23 2.135 -2.370 7.342 215 2HD2 ASN 23 2HD2 ASN 23 1.360 -0.942 7.994 216 H GLN 24 H GLN 24 6.838 -0.682 3.717 217 HA GLN 24 HA GLN 24 8.475 -1.043 6.070 218 1HB GLN 24 1HB GLN 24 7.742 -3.423 4.340 219 2HB GLN 24 2HB GLN 24 9.245 -3.368 5.292 220 1HG GLN 24 1HG GLN 24 7.583 -2.628 7.236 221 2HG GLN 24 2HG GLN 24 6.387 -3.467 6.224 222 1HE2 GLN 24 1HE2 GLN 24 6.016 -5.415 7.144 223 2HE2 GLN 24 2HE2 GLN 24 7.256 -6.543 7.649 224 H PHE 25 H PHE 25 9.370 -2.889 3.273 225 HA PHE 25 HA PHE 25 11.738 -1.728 2.700 226 1HB PHE 25 1HB PHE 25 11.072 -3.607 1.438 227 2HB PHE 25 2HB PHE 25 9.604 -2.804 0.852 228 HD1 PHE 25 1HD PHE 25 10.144 -0.501 -0.478 229 HD2 PHE 25 2HD PHE 25 12.789 -3.863 -0.083 230 HE1 PHE 25 1HE PHE 25 11.346 0.204 -2.530 231 HE2 PHE 25 2HE PHE 25 13.991 -3.158 -2.135 232 HZ PHE 25 HZ PHE 25 13.270 -1.125 -3.358 233 H TRP 26 H TRP 26 8.551 -0.518 1.559 234 HA TRP 26 HA TRP 26 9.280 1.520 -0.115 235 1HB TRP 26 1HB TRP 26 7.219 2.470 0.331 236 2HB TRP 26 2HB TRP 26 6.976 0.794 0.841 237 HD1 TRP 26 HD TRP 26 6.232 0.380 3.248 238 HE1 TRP 26 1HE TRP 26 5.748 1.817 5.295 239 HE3 TRP 26 3HE TRP 26 8.115 4.833 1.570 240 HZ2 TRP 26 2HZ TRP 26 6.127 4.567 6.114 241 HZ3 TRP 26 3HZ TRP 26 8.036 6.836 3.009 242 HH2 TRP 26 HH TRP 26 7.048 6.720 5.278 243 H VAL 27 H VAL 27 9.406 1.551 3.468 244 HA VAL 27 HA VAL 27 10.000 4.164 4.018 245 HB VAL 27 HB VAL 27 11.235 3.362 5.935 246 1HG1 VAL 27 1HG1 VAL 27 9.626 1.025 6.043 247 2HG1 VAL 27 2HG1 VAL 27 9.236 2.638 6.688 248 3HG1 VAL 27 3HG1 VAL 27 8.735 2.193 5.039 249 1HG2 VAL 27 1HG2 VAL 27 12.843 1.869 5.083 250 2HG2 VAL 27 2HG2 VAL 27 11.721 0.787 5.944 251 3HG2 VAL 27 3HG2 VAL 27 11.632 0.935 4.173 252 H LYS 28 H LYS 28 12.283 1.686 2.762 253 HA LYS 28 HA LYS 28 14.574 3.362 2.751 254 1HB LYS 28 1HB LYS 28 13.753 0.899 1.187 255 2HB LYS 28 2HB LYS 28 15.327 1.693 0.942 256 1HG LYS 28 1HG LYS 28 15.824 1.450 3.357 257 2HG LYS 28 2HG LYS 28 14.252 0.649 3.598 258 1HD LYS 28 1HD LYS 28 15.615 -1.210 3.325 259 2HD LYS 28 2HD LYS 28 15.145 -0.920 1.633 260 1HE LYS 28 1HE LYS 28 17.429 0.726 2.338 261 2HE LYS 28 2HE LYS 28 17.766 -0.979 2.710 262 1HZ LYS 28 1HZ LYS 28 16.978 0.178 0.140 263 2HZ LYS 28 2HZ LYS 28 18.365 -0.633 0.511 264 3HZ LYS 28 3HZ LYS 28 16.931 -1.444 0.436 265 H VAL 29 H VAL 29 11.897 2.904 0.456 266 HA VAL 29 HA VAL 29 12.946 4.090 -1.830 267 HB VAL 29 HB VAL 29 10.151 4.332 -0.649 268 1HG1 VAL 29 1HG1 VAL 29 9.759 5.724 -2.383 269 2HG1 VAL 29 2HG1 VAL 29 11.397 5.467 -3.030 270 3HG1 VAL 29 3HG1 VAL 29 10.082 4.350 -3.467 271 1HG2 VAL 29 1HG2 VAL 29 11.122 2.009 -1.061 272 2HG2 VAL 29 2HG2 VAL 29 9.638 2.385 -1.969 273 3HG2 VAL 29 3HG2 VAL 29 11.219 2.445 -2.784 274 H GLN 30 H GLN 30 12.526 5.478 1.277 275 HA GLN 30 HA GLN 30 12.541 8.226 0.141 276 1HB GLN 30 1HB GLN 30 11.557 8.949 2.107 277 2HB GLN 30 2HB GLN 30 10.893 7.300 2.010 278 1HG GLN 30 1HG GLN 30 11.738 7.055 4.103 279 2HG GLN 30 2HG GLN 30 13.299 6.863 3.276 280 1HE2 GLN 30 1HE2 GLN 30 11.405 8.798 5.428 281 2HE2 GLN 30 2HE2 GLN 30 12.554 10.100 5.649 282 H ARG 31 H ARG 31 14.431 5.800 1.797 283 HA ARG 31 HA ARG 31 16.292 6.850 3.319 284 1HB ARG 31 1HB ARG 31 16.391 4.641 2.027 285 2HB ARG 31 2HB ARG 31 17.195 5.555 0.728 286 1HG ARG 31 1HG ARG 31 19.139 5.268 1.838 287 2HG ARG 31 2HG ARG 31 18.498 6.338 3.107 288 1HD ARG 31 1HD ARG 31 17.308 4.224 4.016 289 2HD ARG 31 2HD ARG 31 18.409 3.311 2.961 290 HE ARG 31 HE ARG 31 19.907 5.175 4.525 291 1HH1 ARG 31 2HH2 ARG 31 18.066 2.166 4.779 292 2HH1 ARG 31 1HH2 ARG 31 18.976 1.566 6.147 293 1HH2 ARG 31 2HH1 ARG 31 21.108 4.381 6.332 294 2HH2 ARG 31 1HH1 ARG 31 20.711 2.828 7.032 295 H GLY 32 H GLY 32 16.529 7.373 -0.252 296 1HA GLY 32 1HA GLY 32 16.964 9.468 -1.268 297 2HA GLY 32 2HA GLY 32 17.530 10.103 0.294 Start of MODEL 5 1 HA PRO 1 HA PRO 1 -19.123 1.212 1.888 2 1HB PRO 1 1HB PRO 1 -20.784 2.748 3.406 3 2HB PRO 1 2HB PRO 1 -21.368 1.281 2.556 4 1HG PRO 1 1HG PRO 1 -20.471 1.496 5.444 5 2HG PRO 1 2HG PRO 1 -22.008 0.805 4.830 6 1HD PRO 1 1HD PRO 1 -19.861 -0.778 5.390 7 2HD PRO 1 2HD PRO 1 -20.877 -1.102 3.952 8 HA PRO 2 HA PRO 2 -15.769 3.017 4.422 9 1HB PRO 2 1HB PRO 2 -14.149 3.673 2.331 10 2HB PRO 2 2HB PRO 2 -14.307 1.983 2.912 11 1HG PRO 2 1HG PRO 2 -15.802 3.285 0.618 12 2HG PRO 2 2HG PRO 2 -14.880 1.747 0.582 13 1HD PRO 2 1HD PRO 2 -17.579 1.778 0.964 14 2HD PRO 2 2HD PRO 2 -16.546 0.642 1.883 15 H LEU 3 H LEU 3 -18.281 4.121 2.607 16 HA LEU 3 HA LEU 3 -19.239 6.224 2.578 17 1HB LEU 3 1HB LEU 3 -17.136 6.554 4.430 18 2HB LEU 3 2HB LEU 3 -16.957 7.885 3.262 19 HG LEU 3 HG LEU 3 -18.467 8.668 4.962 20 1HD1 LEU 3 1HD1 LEU 3 -20.731 8.089 3.325 21 2HD1 LEU 3 2HD1 LEU 3 -19.722 9.555 3.314 22 3HD1 LEU 3 3HD1 LEU 3 -19.321 8.191 2.243 23 1HD2 LEU 3 1HD2 LEU 3 -18.973 6.177 5.631 24 2HD2 LEU 3 2HD2 LEU 3 -20.223 7.418 5.891 25 3HD2 LEU 3 3HD2 LEU 3 -20.325 6.332 4.484 26 H SER 4 H SER 4 -16.845 4.945 0.769 27 HA SER 4 HA SER 4 -17.122 7.078 -1.261 28 1HB SER 4 1HB SER 4 -14.435 5.808 -0.660 29 2HB SER 4 2HB SER 4 -14.788 7.225 -1.678 30 HG SER 4 HG SER 4 -15.075 7.014 1.139 31 H GLN 5 H GLN 5 -14.979 5.612 -2.823 32 HA GLN 5 HA GLN 5 -15.521 2.923 -3.222 33 1HB GLN 5 1HB GLN 5 -17.788 4.529 -3.926 34 2HB GLN 5 2HB GLN 5 -17.083 3.877 -5.424 35 1HG GLN 5 1HG GLN 5 -17.172 1.614 -4.549 36 2HG GLN 5 2HG GLN 5 -17.680 2.205 -2.953 37 1HE2 GLN 5 1HE2 GLN 5 -19.571 0.831 -3.109 38 2HE2 GLN 5 2HE2 GLN 5 -20.940 1.322 -4.083 39 H GLU 6 H GLU 6 -15.228 6.068 -4.926 40 HA GLU 6 HA GLU 6 -14.108 5.517 -7.292 41 1HB GLU 6 1HB GLU 6 -13.746 7.586 -5.279 42 2HB GLU 6 2HB GLU 6 -12.242 7.314 -6.190 43 1HG GLU 6 1HG GLU 6 -14.984 7.746 -7.443 44 2HG GLU 6 2HG GLU 6 -13.743 9.005 -7.265 45 H THR 7 H THR 7 -11.815 5.921 -4.546 46 HA THR 7 HA THR 7 -9.953 4.099 -5.889 47 HB THR 7 HB THR 7 -9.239 5.011 -3.197 48 HG1 THR 7 1HG THR 7 -9.385 7.144 -3.567 49 1HG2 THR 7 1HG2 THR 7 -7.686 4.175 -4.969 50 2HG2 THR 7 2HG2 THR 7 -8.100 5.591 -5.964 51 3HG2 THR 7 3HG2 THR 7 -7.263 5.810 -4.409 52 H PHE 8 H PHE 8 -10.290 4.225 -2.374 53 HA PHE 8 HA PHE 8 -9.935 2.092 -1.214 54 1HB PHE 8 1HB PHE 8 -12.920 2.306 -1.526 55 2HB PHE 8 2HB PHE 8 -11.965 1.959 -0.075 56 HD1 PHE 8 1HD PHE 8 -11.967 4.742 -2.610 57 HD2 PHE 8 2HD PHE 8 -12.222 3.606 1.525 58 HE1 PHE 8 1HE PHE 8 -12.085 7.132 -1.961 59 HE2 PHE 8 2HE PHE 8 -12.340 5.996 2.174 60 HZ PHE 8 HZ PHE 8 -12.272 7.760 0.432 61 H SER 9 H SER 9 -12.706 1.755 -3.512 62 HA SER 9 HA SER 9 -13.051 -0.901 -3.658 63 1HB SER 9 1HB SER 9 -14.069 0.873 -5.150 64 2HB SER 9 2HB SER 9 -12.607 0.768 -6.160 65 HG SER 9 HG SER 9 -14.531 -1.232 -5.611 66 H ASP 10 H ASP 10 -10.525 0.726 -5.669 67 HA ASP 10 HA ASP 10 -9.154 -1.887 -5.905 68 1HB ASP 10 1HB ASP 10 -8.112 -1.011 -7.807 69 2HB ASP 10 2HB ASP 10 -9.724 -0.266 -7.866 70 H LEU 11 H LEU 11 -8.925 1.281 -4.400 71 HA LEU 11 HA LEU 11 -6.118 1.251 -3.865 72 1HB LEU 11 1HB LEU 11 -8.069 3.101 -3.640 73 2HB LEU 11 2HB LEU 11 -7.999 2.557 -1.947 74 HG LEU 11 HG LEU 11 -5.466 2.855 -2.084 75 1HD1 LEU 11 1HD1 LEU 11 -6.089 3.232 -4.816 76 2HD1 LEU 11 2HD1 LEU 11 -5.626 4.840 -4.208 77 3HD1 LEU 11 3HD1 LEU 11 -4.507 3.467 -4.034 78 1HD2 LEU 11 1HD2 LEU 11 -7.118 5.365 -2.586 79 2HD2 LEU 11 2HD2 LEU 11 -7.076 4.493 -1.035 80 3HD2 LEU 11 3HD2 LEU 11 -5.595 5.246 -1.674 81 H TRP 12 H TRP 12 -8.847 0.748 -1.549 82 HA TRP 12 HA TRP 12 -7.349 -0.288 0.545 83 1HB TRP 12 1HB TRP 12 -9.380 -0.409 1.443 84 2HB TRP 12 2HB TRP 12 -10.060 0.015 -0.134 85 HD1 TRP 12 HD TRP 12 -11.819 -1.584 -0.932 86 HE1 TRP 12 1HE TRP 12 -12.426 -4.036 -0.608 87 HE3 TRP 12 3HE TRP 12 -7.930 -2.985 2.087 88 HZ2 TRP 12 2HZ TRP 12 -11.361 -6.335 0.791 89 HZ3 TRP 12 3HZ TRP 12 -7.761 -5.310 2.894 90 HH2 TRP 12 HH TRP 12 -9.463 -6.994 2.257 91 H LYS 13 H LYS 13 -8.569 -1.929 -2.378 92 HA LYS 13 HA LYS 13 -7.792 -4.564 -1.487 93 1HB LYS 13 1HB LYS 13 -9.006 -3.296 -3.851 94 2HB LYS 13 2HB LYS 13 -7.926 -4.653 -4.251 95 1HG LYS 13 1HG LYS 13 -9.176 -6.188 -2.969 96 2HG LYS 13 2HG LYS 13 -9.960 -4.901 -2.021 97 1HD LYS 13 1HD LYS 13 -11.394 -4.298 -3.800 98 2HD LYS 13 2HD LYS 13 -10.376 -5.108 -5.015 99 1HE LYS 13 1HE LYS 13 -10.964 -7.216 -3.394 100 2HE LYS 13 2HE LYS 13 -12.434 -6.239 -3.182 101 1HZ LYS 13 1HZ LYS 13 -12.730 -7.677 -4.997 102 2HZ LYS 13 2HZ LYS 13 -12.567 -6.155 -5.610 103 3HZ LYS 13 3HZ LYS 13 -11.313 -7.222 -5.707 104 H LEU 14 H LEU 14 -6.254 -1.889 -3.220 105 HA LEU 14 HA LEU 14 -4.075 -3.364 -4.318 106 1HB LEU 14 1HB LEU 14 -4.906 -0.581 -3.994 107 2HB LEU 14 2HB LEU 14 -3.151 -0.778 -3.774 108 HG LEU 14 HG LEU 14 -4.120 -0.432 -6.198 109 1HD1 LEU 14 1HD1 LEU 14 -2.196 -2.705 -5.542 110 2HD1 LEU 14 2HD1 LEU 14 -2.308 -1.850 -7.099 111 3HD1 LEU 14 3HD1 LEU 14 -1.765 -0.981 -5.643 112 1HD2 LEU 14 1HD2 LEU 14 -4.231 -3.239 -6.723 113 2HD2 LEU 14 2HD2 LEU 14 -5.350 -2.909 -5.379 114 3HD2 LEU 14 3HD2 LEU 14 -5.528 -2.036 -6.920 115 H LEU 15 H LEU 15 -4.510 -1.582 -1.228 116 HA LEU 15 HA LEU 15 -1.868 -1.984 -0.268 117 1HB LEU 15 1HB LEU 15 -4.530 -1.242 0.873 118 2HB LEU 15 2HB LEU 15 -3.284 -1.807 2.012 119 HG LEU 15 HG LEU 15 -2.775 0.343 -0.081 120 1HD1 LEU 15 1HD1 LEU 15 -4.476 1.233 1.374 121 2HD1 LEU 15 2HD1 LEU 15 -3.683 0.555 2.816 122 3HD1 LEU 15 3HD1 LEU 15 -2.922 1.900 1.933 123 1HD2 LEU 15 1HD2 LEU 15 -0.819 0.817 1.320 124 2HD2 LEU 15 2HD2 LEU 15 -1.325 -0.426 2.488 125 3HD2 LEU 15 3HD2 LEU 15 -0.816 -0.899 0.850 126 H LYS 16 H LYS 16 -4.446 -4.185 -0.801 127 HA LYS 16 HA LYS 16 -3.859 -6.023 1.342 128 1HB LYS 16 1HB LYS 16 -5.946 -5.704 -0.340 129 2HB LYS 16 2HB LYS 16 -5.071 -6.988 -1.209 130 1HG LYS 16 1HG LYS 16 -6.606 -8.048 0.341 131 2HG LYS 16 2HG LYS 16 -4.955 -8.270 0.968 132 1HD LYS 16 1HD LYS 16 -5.774 -5.809 2.036 133 2HD LYS 16 2HD LYS 16 -7.220 -6.840 2.152 134 1HE LYS 16 1HE LYS 16 -4.434 -7.608 3.115 135 2HE LYS 16 2HE LYS 16 -5.752 -7.030 4.158 136 1HZ LYS 16 1HZ LYS 16 -6.967 -8.922 3.737 137 2HZ LYS 16 2HZ LYS 16 -6.069 -9.360 2.425 138 3HZ LYS 16 3HZ LYS 16 -5.432 -9.489 3.941 139 H LYS 17 H LYS 17 -1.753 -4.981 -0.782 140 HA LYS 17 HA LYS 17 -0.214 -7.429 -0.764 141 1HB LYS 17 1HB LYS 17 -1.078 -8.243 -2.698 142 2HB LYS 17 2HB LYS 17 -1.796 -6.678 -3.151 143 1HG LYS 17 1HG LYS 17 1.172 -7.349 -3.337 144 2HG LYS 17 2HG LYS 17 0.035 -7.389 -4.706 145 1HD LYS 17 1HD LYS 17 -0.357 -4.885 -3.427 146 2HD LYS 17 2HD LYS 17 1.405 -5.115 -3.535 147 1HE LYS 17 1HE LYS 17 1.186 -5.635 -5.944 148 2HE LYS 17 2HE LYS 17 -0.572 -5.401 -5.835 149 1HZ LYS 17 1HZ LYS 17 -0.163 -3.140 -5.188 150 2HZ LYS 17 2HZ LYS 17 1.468 -3.360 -5.301 151 3HZ LYS 17 3HZ LYS 17 0.527 -3.458 -6.652 152 H TRP 18 H TRP 18 -0.745 -4.052 -1.458 153 HA TRP 18 HA TRP 18 2.076 -3.614 -2.176 154 1HB TRP 18 1HB TRP 18 -0.253 -2.419 -2.939 155 2HB TRP 18 2HB TRP 18 0.270 -1.328 -1.649 156 HD1 TRP 18 HD TRP 18 0.540 -1.729 -5.215 157 HE1 TRP 18 1HE TRP 18 2.491 -0.439 -6.222 158 HE3 TRP 18 3HE TRP 18 3.155 -0.744 -0.926 159 HZ2 TRP 18 2HZ TRP 18 4.900 0.866 -5.289 160 HZ3 TRP 18 3HZ TRP 18 5.270 0.523 -1.026 161 HH2 TRP 18 HH TRP 18 6.154 1.333 -3.193 162 H LYS 19 H LYS 19 -0.263 -2.802 0.428 163 HA LYS 19 HA LYS 19 1.187 -1.176 2.061 164 1HB LYS 19 1HB LYS 19 -1.111 -2.318 2.420 165 2HB LYS 19 2HB LYS 19 -0.184 -3.630 3.186 166 1HG LYS 19 1HG LYS 19 0.584 -2.248 4.922 167 2HG LYS 19 2HG LYS 19 0.303 -0.757 3.992 168 1HD LYS 19 1HD LYS 19 -1.419 -0.940 5.705 169 2HD LYS 19 2HD LYS 19 -2.169 -1.220 4.115 170 1HE LYS 19 1HE LYS 19 -1.419 -3.761 4.763 171 2HE LYS 19 2HE LYS 19 -1.733 -3.099 6.382 172 1HZ LYS 19 1HZ LYS 19 -3.791 -2.260 4.814 173 2HZ LYS 19 2HZ LYS 19 -3.556 -3.835 4.384 174 3HZ LYS 19 3HZ LYS 19 -3.835 -3.443 5.962 175 H MET 20 H MET 20 1.452 -4.778 2.039 176 HA MET 20 HA MET 20 3.284 -5.313 3.920 177 1HB MET 20 1HB MET 20 4.410 -6.834 2.101 178 2HB MET 20 2HB MET 20 2.712 -7.119 2.554 179 1HG MET 20 1HG MET 20 2.149 -6.838 0.407 180 2HG MET 20 2HG MET 20 2.626 -5.139 0.558 181 1HE MET 20 1HE MET 20 3.364 -5.173 -2.396 182 2HE MET 20 2HE MET 20 3.641 -4.151 -0.966 183 3HE MET 20 3HE MET 20 5.012 -4.632 -1.994 184 H ARG 21 H ARG 21 4.030 -3.696 0.809 185 HA ARG 21 HA ARG 21 6.823 -3.308 1.680 186 1HB ARG 21 1HB ARG 21 5.281 -3.073 -0.887 187 2HB ARG 21 2HB ARG 21 6.758 -2.098 -0.690 188 1HG ARG 21 1HG ARG 21 7.984 -4.194 -0.034 189 2HG ARG 21 2HG ARG 21 6.513 -5.123 -0.411 190 1HD ARG 21 1HD ARG 21 6.835 -3.540 -2.666 191 2HD ARG 21 2HD ARG 21 8.511 -3.928 -2.221 192 HE ARG 21 HE ARG 21 6.698 -6.221 -2.218 193 1HH1 ARG 21 2HH2 ARG 21 8.905 -4.189 -4.089 194 2HH1 ARG 21 1HH2 ARG 21 9.239 -5.419 -5.287 195 1HH2 ARG 21 2HH1 ARG 21 7.140 -7.845 -3.801 196 2HH2 ARG 21 1HH1 ARG 21 8.233 -7.503 -5.123 197 H ARG 22 H ARG 22 3.922 -1.408 0.724 198 HA ARG 22 HA ARG 22 5.118 1.139 1.221 199 1HB ARG 22 1HB ARG 22 3.132 0.859 -0.188 200 2HB ARG 22 2HB ARG 22 2.207 0.251 1.206 201 1HG ARG 22 1HG ARG 22 1.996 2.782 0.549 202 2HG ARG 22 2HG ARG 22 2.178 2.350 2.266 203 1HD ARG 22 1HD ARG 22 3.684 4.234 1.453 204 2HD ARG 22 2HD ARG 22 4.518 2.877 2.241 205 HE ARG 22 HE ARG 22 5.627 2.471 0.265 206 1HH1 ARG 22 2HH2 ARG 22 2.678 4.311 -0.379 207 2HH1 ARG 22 1HH2 ARG 22 3.012 4.512 -2.084 208 1HH2 ARG 22 2HH1 ARG 22 6.069 2.737 -1.988 209 2HH2 ARG 22 1HH1 ARG 22 4.945 3.615 -3.001 210 H ASN 23 H ASN 23 5.247 -1.081 3.367 211 HA ASN 23 HA ASN 23 4.668 0.743 5.605 212 1HB ASN 23 1HB ASN 23 2.862 -1.285 4.899 213 2HB ASN 23 2HB ASN 23 3.802 -1.966 6.245 214 1HD2 ASN 23 1HD2 ASN 23 3.238 -1.411 8.284 215 2HD2 ASN 23 2HD2 ASN 23 2.202 -0.066 8.711 216 H GLN 24 H GLN 24 6.928 -0.755 4.033 217 HA GLN 24 HA GLN 24 8.583 -1.190 6.354 218 1HB GLN 24 1HB GLN 24 7.517 -3.555 4.792 219 2HB GLN 24 2HB GLN 24 9.077 -3.626 5.646 220 1HG GLN 24 1HG GLN 24 7.598 -2.587 7.628 221 2HG GLN 24 2HG GLN 24 6.294 -3.412 6.745 222 1HE2 GLN 24 1HE2 GLN 24 6.643 -5.750 6.215 223 2HE2 GLN 24 2HE2 GLN 24 7.527 -6.731 7.365 224 H PHE 25 H PHE 25 9.176 -3.255 3.626 225 HA PHE 25 HA PHE 25 11.639 -2.402 2.931 226 1HB PHE 25 1HB PHE 25 10.721 -4.237 1.769 227 2HB PHE 25 2HB PHE 25 9.332 -3.297 1.199 228 HD1 PHE 25 1HD PHE 25 10.073 -1.124 -0.247 229 HD2 PHE 25 2HD PHE 25 12.341 -4.744 0.205 230 HE1 PHE 25 1HE PHE 25 11.268 -0.640 -2.366 231 HE2 PHE 25 2HE PHE 25 13.536 -4.260 -1.914 232 HZ PHE 25 HZ PHE 25 13.000 -2.208 -3.199 233 H TRP 26 H TRP 26 8.577 -0.873 1.827 234 HA TRP 26 HA TRP 26 9.496 1.000 0.051 235 1HB TRP 26 1HB TRP 26 7.563 2.191 0.490 236 2HB TRP 26 2HB TRP 26 7.145 0.573 1.069 237 HD1 TRP 26 HD TRP 26 6.410 0.334 3.504 238 HE1 TRP 26 1HE TRP 26 6.126 1.893 5.497 239 HE3 TRP 26 3HE TRP 26 8.733 4.487 1.618 240 HZ2 TRP 26 2HZ TRP 26 6.819 4.615 6.199 241 HZ3 TRP 26 3HZ TRP 26 8.901 6.540 2.976 242 HH2 TRP 26 HH TRP 26 7.951 6.621 5.262 243 H VAL 27 H VAL 27 9.678 1.168 3.630 244 HA VAL 27 HA VAL 27 10.572 3.711 4.066 245 HB VAL 27 HB VAL 27 11.747 2.851 5.995 246 1HG1 VAL 27 1HG1 VAL 27 9.119 1.940 5.186 247 2HG1 VAL 27 2HG1 VAL 27 9.895 0.704 6.205 248 3HG1 VAL 27 3HG1 VAL 27 9.703 2.366 6.813 249 1HG2 VAL 27 1HG2 VAL 27 11.879 0.354 4.301 250 2HG2 VAL 27 2HG2 VAL 27 13.171 1.160 5.223 251 3HG2 VAL 27 3HG2 VAL 27 11.923 0.221 6.076 252 H LYS 28 H LYS 28 12.522 0.959 2.830 253 HA LYS 28 HA LYS 28 14.989 2.379 2.728 254 1HB LYS 28 1HB LYS 28 13.885 -0.052 1.290 255 2HB LYS 28 2HB LYS 28 15.531 0.558 0.996 256 1HG LYS 28 1HG LYS 28 14.536 0.048 3.812 257 2HG LYS 28 2HG LYS 28 15.207 -1.271 2.824 258 1HD LYS 28 1HD LYS 28 17.259 -0.588 3.476 259 2HD LYS 28 2HD LYS 28 17.005 0.871 2.490 260 1HE LYS 28 1HE LYS 28 16.235 2.129 4.333 261 2HE LYS 28 2HE LYS 28 15.897 0.677 5.299 262 1HZ LYS 28 1HZ LYS 28 18.533 1.742 4.579 263 2HZ LYS 28 2HZ LYS 28 17.855 1.690 6.081 264 3HZ LYS 28 3HZ LYS 28 18.294 0.291 5.326 265 H VAL 29 H VAL 29 12.258 2.043 0.462 266 HA VAL 29 HA VAL 29 13.341 2.999 -1.888 267 HB VAL 29 HB VAL 29 10.651 3.647 -0.621 268 1HG1 VAL 29 1HG1 VAL 29 10.085 3.846 -3.178 269 2HG1 VAL 29 2HG1 VAL 29 10.843 5.228 -2.349 270 3HG1 VAL 29 3HG1 VAL 29 11.830 4.146 -3.361 271 1HG2 VAL 29 1HG2 VAL 29 11.322 1.211 -1.017 272 2HG2 VAL 29 2HG2 VAL 29 9.844 1.749 -1.852 273 3HG2 VAL 29 3HG2 VAL 29 11.372 1.601 -2.754 274 H GLN 30 H GLN 30 13.155 4.619 1.147 275 HA GLN 30 HA GLN 30 13.426 7.283 -0.117 276 1HB GLN 30 1HB GLN 30 12.640 8.138 1.846 277 2HB GLN 30 2HB GLN 30 12.012 6.487 2.066 278 1HG GLN 30 1HG GLN 30 14.195 5.908 3.211 279 2HG GLN 30 2HG GLN 30 14.616 7.633 3.147 280 1HE2 GLN 30 1HE2 GLN 30 14.447 6.296 5.595 281 2HE2 GLN 30 2HE2 GLN 30 13.055 6.882 6.480 282 H ARG 31 H ARG 31 15.144 4.946 1.984 283 HA ARG 31 HA ARG 31 17.293 5.159 2.906 284 1HB ARG 31 1HB ARG 31 17.574 3.808 0.930 285 2HB ARG 31 2HB ARG 31 17.589 5.246 -0.119 286 1HG ARG 31 1HG ARG 31 19.578 5.608 1.921 287 2HG ARG 31 2HG ARG 31 19.803 3.992 1.210 288 1HD ARG 31 1HD ARG 31 19.910 4.918 -1.025 289 2HD ARG 31 2HD ARG 31 19.453 6.529 -0.432 290 HE ARG 31 HE ARG 31 21.744 5.926 0.982 291 1HH1 ARG 31 2HH2 ARG 31 20.839 6.033 -2.434 292 2HH1 ARG 31 1HH2 ARG 31 22.440 6.470 -2.986 293 1HH2 ARG 31 2HH1 ARG 31 23.860 6.503 0.253 294 2HH2 ARG 31 1HH1 ARG 31 24.162 6.738 -1.454 295 H GLY 32 H GLY 32 17.108 7.233 3.971 296 1HA GLY 32 1HA GLY 32 19.141 9.034 3.443 297 2HA GLY 32 2HA GLY 32 17.734 9.674 2.565 Start of MODEL 6 1 HA PRO 1 HA PRO 1 -16.592 12.178 1.426 2 1HB PRO 1 1HB PRO 1 -19.272 12.150 1.916 3 2HB PRO 1 2HB PRO 1 -18.237 13.532 2.401 4 1HG PRO 1 1HG PRO 1 -19.900 13.276 -0.121 5 2HG PRO 1 2HG PRO 1 -19.908 14.631 1.055 6 1HD PRO 1 1HD PRO 1 -18.404 14.729 -1.216 7 2HD PRO 1 2HD PRO 1 -17.757 15.361 0.329 8 HA PRO 2 HA PRO 2 -17.726 9.324 -2.048 9 1HB PRO 2 1HB PRO 2 -15.474 7.793 -1.955 10 2HB PRO 2 2HB PRO 2 -15.491 9.401 -2.749 11 1HG PRO 2 1HG PRO 2 -14.613 8.758 0.080 12 2HG PRO 2 2HG PRO 2 -13.695 9.667 -1.164 13 1HD PRO 2 1HD PRO 2 -15.186 10.951 0.722 14 2HD PRO 2 2HD PRO 2 -15.155 11.542 -0.967 15 H LEU 3 H LEU 3 -17.598 9.374 1.247 16 HA LEU 3 HA LEU 3 -18.002 7.847 2.931 17 1HB LEU 3 1HB LEU 3 -20.045 7.798 0.905 18 2HB LEU 3 2HB LEU 3 -19.876 6.165 1.593 19 HG LEU 3 HG LEU 3 -21.490 7.537 2.890 20 1HD1 LEU 3 1HD1 LEU 3 -20.308 5.838 4.125 21 2HD1 LEU 3 2HD1 LEU 3 -18.846 6.847 4.230 22 3HD1 LEU 3 3HD1 LEU 3 -20.309 7.304 5.135 23 1HD2 LEU 3 1HD2 LEU 3 -19.066 9.351 3.119 24 2HD2 LEU 3 2HD2 LEU 3 -20.710 9.764 2.576 25 3HD2 LEU 3 3HD2 LEU 3 -20.402 9.413 4.293 26 H SER 4 H SER 4 -15.780 7.147 1.100 27 HA SER 4 HA SER 4 -14.305 5.387 0.987 28 1HB SER 4 1HB SER 4 -16.408 3.688 2.373 29 2HB SER 4 2HB SER 4 -14.651 3.410 2.299 30 HG SER 4 HG SER 4 -14.408 5.391 3.458 31 H GLN 5 H GLN 5 -14.051 4.793 -1.083 32 HA GLN 5 HA GLN 5 -15.257 2.564 -2.230 33 1HB GLN 5 1HB GLN 5 -17.017 4.853 -2.226 34 2HB GLN 5 2HB GLN 5 -16.558 4.461 -3.901 35 1HG GLN 5 1HG GLN 5 -17.349 2.224 -3.706 36 2HG GLN 5 2HG GLN 5 -17.435 2.325 -1.934 37 1HE2 GLN 5 1HE2 GLN 5 -19.593 1.946 -1.574 38 2HE2 GLN 5 2HE2 GLN 5 -20.882 2.949 -2.206 39 H GLU 6 H GLU 6 -14.469 5.961 -3.174 40 HA GLU 6 HA GLU 6 -13.419 5.682 -5.643 41 1HB GLU 6 1HB GLU 6 -12.976 7.425 -3.384 42 2HB GLU 6 2HB GLU 6 -11.433 7.134 -4.223 43 1HG GLU 6 1HG GLU 6 -13.036 7.487 -6.370 44 2HG GLU 6 2HG GLU 6 -13.918 8.483 -5.193 45 H THR 7 H THR 7 -11.244 5.345 -2.780 46 HA THR 7 HA THR 7 -9.406 3.746 -4.409 47 HB THR 7 HB THR 7 -8.809 3.933 -1.554 48 HG1 THR 7 1HG THR 7 -9.359 6.292 -3.035 49 1HG2 THR 7 1HG2 THR 7 -6.721 4.804 -2.409 50 2HG2 THR 7 2HG2 THR 7 -7.243 3.500 -3.503 51 3HG2 THR 7 3HG2 THR 7 -7.468 5.201 -3.976 52 H PHE 8 H PHE 8 -9.923 3.059 -0.993 53 HA PHE 8 HA PHE 8 -9.821 0.721 -0.324 54 1HB PHE 8 1HB PHE 8 -12.751 1.207 -0.835 55 2HB PHE 8 2HB PHE 8 -11.971 0.441 0.559 56 HD1 PHE 8 1HD PHE 8 -11.541 3.753 -1.176 57 HD2 PHE 8 2HD PHE 8 -12.323 1.658 2.491 58 HE1 PHE 8 1HE PHE 8 -11.598 5.911 0.044 59 HE2 PHE 8 2HE PHE 8 -12.381 3.816 3.712 60 HZ PHE 8 HZ PHE 8 -12.018 5.942 2.488 61 H SER 9 H SER 9 -12.381 1.066 -2.853 62 HA SER 9 HA SER 9 -12.804 -1.463 -3.634 63 1HB SER 9 1HB SER 9 -13.637 0.631 -4.761 64 2HB SER 9 2HB SER 9 -12.082 0.722 -5.622 65 HG SER 9 HG SER 9 -14.209 -1.022 -5.947 66 H ASP 10 H ASP 10 -10.051 0.430 -5.014 67 HA ASP 10 HA ASP 10 -8.724 -2.161 -5.610 68 1HB ASP 10 1HB ASP 10 -8.886 0.480 -6.909 69 2HB ASP 10 2HB ASP 10 -7.235 -0.171 -6.812 70 H LEU 11 H LEU 11 -8.670 0.612 -3.538 71 HA LEU 11 HA LEU 11 -5.868 0.685 -2.968 72 1HB LEU 11 1HB LEU 11 -7.918 2.314 -2.406 73 2HB LEU 11 2HB LEU 11 -7.896 1.398 -0.881 74 HG LEU 11 HG LEU 11 -5.755 3.154 -2.087 75 1HD1 LEU 11 1HD1 LEU 11 -7.530 3.160 0.193 76 2HD1 LEU 11 2HD1 LEU 11 -5.844 3.145 0.763 77 3HD1 LEU 11 3HD1 LEU 11 -6.398 4.426 -0.342 78 1HD2 LEU 11 1HD2 LEU 11 -5.375 0.786 -0.216 79 2HD2 LEU 11 2HD2 LEU 11 -4.549 1.101 -1.760 80 3HD2 LEU 11 3HD2 LEU 11 -4.202 2.119 -0.341 81 H TRP 12 H TRP 12 -8.493 -0.396 -0.743 82 HA TRP 12 HA TRP 12 -6.870 -1.825 1.004 83 1HB TRP 12 1HB TRP 12 -8.842 -2.150 1.977 84 2HB TRP 12 2HB TRP 12 -9.614 -1.408 0.569 85 HD1 TRP 12 HD TRP 12 -11.429 -2.816 -0.437 86 HE1 TRP 12 1HE TRP 12 -12.028 -5.286 -0.603 87 HE3 TRP 12 3HE TRP 12 -7.369 -4.794 1.971 88 HZ2 TRP 12 2HZ TRP 12 -10.891 -7.820 0.208 89 HZ3 TRP 12 3HZ TRP 12 -7.162 -7.236 2.255 90 HH2 TRP 12 HH TRP 12 -8.910 -8.760 1.382 91 H LYS 13 H LYS 13 -8.294 -2.846 -2.107 92 HA LYS 13 HA LYS 13 -7.514 -5.600 -1.850 93 1HB LYS 13 1HB LYS 13 -9.201 -4.258 -3.476 94 2HB LYS 13 2HB LYS 13 -7.782 -4.349 -4.546 95 1HG LYS 13 1HG LYS 13 -8.320 -6.874 -3.130 96 2HG LYS 13 2HG LYS 13 -9.665 -6.364 -4.178 97 1HD LYS 13 1HD LYS 13 -8.494 -6.838 -6.054 98 2HD LYS 13 2HD LYS 13 -7.065 -5.957 -5.464 99 1HE LYS 13 1HE LYS 13 -6.347 -7.874 -4.162 100 2HE LYS 13 2HE LYS 13 -7.852 -8.744 -4.530 101 1HZ LYS 13 1HZ LYS 13 -5.792 -7.958 -6.467 102 2HZ LYS 13 2HZ LYS 13 -6.078 -9.484 -5.912 103 3HZ LYS 13 3HZ LYS 13 -7.207 -8.718 -6.839 104 H LEU 14 H LEU 14 -5.947 -2.638 -2.986 105 HA LEU 14 HA LEU 14 -3.776 -3.989 -4.330 106 1HB LEU 14 1HB LEU 14 -4.467 -1.186 -3.513 107 2HB LEU 14 2HB LEU 14 -2.767 -1.558 -3.887 108 HG LEU 14 HG LEU 14 -4.845 -1.030 -5.733 109 1HD1 LEU 14 1HD1 LEU 14 -3.085 -1.400 -7.378 110 2HD1 LEU 14 2HD1 LEU 14 -2.370 -0.635 -5.939 111 3HD1 LEU 14 3HD1 LEU 14 -2.156 -2.380 -6.217 112 1HD2 LEU 14 1HD2 LEU 14 -5.327 -3.018 -6.856 113 2HD2 LEU 14 2HD2 LEU 14 -3.888 -3.848 -6.216 114 3HD2 LEU 14 3HD2 LEU 14 -5.301 -3.578 -5.166 115 H LEU 15 H LEU 15 -4.340 -2.632 -1.071 116 HA LEU 15 HA LEU 15 -1.655 -2.956 -0.149 117 1HB LEU 15 1HB LEU 15 -4.297 -2.261 0.941 118 2HB LEU 15 2HB LEU 15 -3.283 -3.170 2.087 119 HG LEU 15 HG LEU 15 -1.636 -1.528 2.143 120 1HD1 LEU 15 1HD1 LEU 15 -1.780 0.304 0.175 121 2HD1 LEU 15 2HD1 LEU 15 -0.878 -1.219 -0.014 122 3HD1 LEU 15 3HD1 LEU 15 -2.520 -1.069 -0.684 123 1HD2 LEU 15 1HD2 LEU 15 -2.973 0.770 1.771 124 2HD2 LEU 15 2HD2 LEU 15 -4.360 -0.343 1.717 125 3HD2 LEU 15 3HD2 LEU 15 -3.312 -0.297 3.155 126 H LYS 16 H LYS 16 -4.045 -5.223 -1.007 127 HA LYS 16 HA LYS 16 -3.422 -7.237 0.977 128 1HB LYS 16 1HB LYS 16 -5.409 -6.815 -0.938 129 2HB LYS 16 2HB LYS 16 -4.496 -8.206 -1.569 130 1HG LYS 16 1HG LYS 16 -4.674 -8.770 1.144 131 2HG LYS 16 2HG LYS 16 -6.249 -8.018 0.794 132 1HD LYS 16 1HD LYS 16 -5.248 -10.008 -1.198 133 2HD LYS 16 2HD LYS 16 -5.753 -10.651 0.383 134 1HE LYS 16 1HE LYS 16 -7.686 -8.699 -0.416 135 2HE LYS 16 2HE LYS 16 -7.397 -9.766 -1.808 136 1HZ LYS 16 1HZ LYS 16 -9.051 -10.750 -0.544 137 2HZ LYS 16 2HZ LYS 16 -7.692 -11.618 -0.198 138 3HZ LYS 16 3HZ LYS 16 -8.263 -10.513 0.885 139 H LYS 17 H LYS 17 -1.330 -5.875 -0.960 140 HA LYS 17 HA LYS 17 0.351 -8.205 -1.148 141 1HB LYS 17 1HB LYS 17 0.336 -8.657 -3.411 142 2HB LYS 17 2HB LYS 17 -1.370 -8.197 -3.190 143 1HG LYS 17 1HG LYS 17 -0.485 -6.997 -5.117 144 2HG LYS 17 2HG LYS 17 -0.744 -5.834 -3.795 145 1HD LYS 17 1HD LYS 17 1.440 -5.278 -3.815 146 2HD LYS 17 2HD LYS 17 1.899 -6.978 -3.555 147 1HE LYS 17 1HE LYS 17 1.033 -6.029 -6.290 148 2HE LYS 17 2HE LYS 17 2.698 -5.754 -5.733 149 1HZ LYS 17 1HZ LYS 17 2.164 -7.868 -6.982 150 2HZ LYS 17 2HZ LYS 17 3.082 -7.988 -5.617 151 3HZ LYS 17 3HZ LYS 17 1.485 -8.400 -5.576 152 H TRP 18 H TRP 18 -0.386 -4.856 -2.139 153 HA TRP 18 HA TRP 18 2.359 -4.159 -2.663 154 1HB TRP 18 1HB TRP 18 -0.015 -3.057 -3.272 155 2HB TRP 18 2HB TRP 18 0.362 -2.109 -1.826 156 HD1 TRP 18 HD TRP 18 0.771 -2.014 -5.413 157 HE1 TRP 18 1HE TRP 18 2.577 -0.383 -6.163 158 HE3 TRP 18 3HE TRP 18 3.109 -1.278 -0.920 159 HZ2 TRP 18 2HZ TRP 18 4.776 1.071 -4.967 160 HZ3 TRP 18 3HZ TRP 18 5.053 0.235 -0.765 161 HH2 TRP 18 HH TRP 18 5.897 1.413 -2.774 162 H LYS 19 H LYS 19 0.128 -3.762 0.125 163 HA LYS 19 HA LYS 19 1.509 -2.199 1.847 164 1HB LYS 19 1HB LYS 19 -0.595 -3.409 2.372 165 2HB LYS 19 2HB LYS 19 0.333 -4.917 2.552 166 1HG LYS 19 1HG LYS 19 1.522 -4.079 4.446 167 2HG LYS 19 2HG LYS 19 0.996 -2.408 4.131 168 1HD LYS 19 1HD LYS 19 -0.706 -2.788 5.568 169 2HD LYS 19 2HD LYS 19 -1.394 -3.870 4.334 170 1HE LYS 19 1HE LYS 19 0.280 -5.631 5.341 171 2HE LYS 19 2HE LYS 19 0.285 -4.550 6.751 172 1HZ LYS 19 1HZ LYS 19 -1.501 -6.463 6.303 173 2HZ LYS 19 2HZ LYS 19 -1.751 -5.157 7.279 174 3HZ LYS 19 3HZ LYS 19 -2.307 -5.145 5.726 175 H MET 20 H MET 20 2.324 -5.595 1.038 176 HA MET 20 HA MET 20 4.230 -6.313 2.785 177 1HB MET 20 1HB MET 20 4.211 -7.829 1.092 178 2HB MET 20 2HB MET 20 3.932 -6.586 -0.151 179 1HG MET 20 1HG MET 20 6.480 -6.002 0.789 180 2HG MET 20 2HG MET 20 6.445 -7.773 0.804 181 1HE MET 20 1HE MET 20 4.376 -5.537 -1.817 182 2HE MET 20 2HE MET 20 5.745 -4.576 -1.208 183 3HE MET 20 3HE MET 20 5.717 -5.110 -2.906 184 H ARG 21 H ARG 21 4.705 -3.860 0.207 185 HA ARG 21 HA ARG 21 7.347 -3.207 1.377 186 1HB ARG 21 1HB ARG 21 5.959 -2.631 -1.247 187 2HB ARG 21 2HB ARG 21 7.366 -1.673 -0.726 188 1HG ARG 21 1HG ARG 21 8.817 -3.493 -0.837 189 2HG ARG 21 2HG ARG 21 7.514 -4.680 -0.591 190 1HD ARG 21 1HD ARG 21 6.668 -3.620 -2.915 191 2HD ARG 21 2HD ARG 21 8.406 -3.301 -3.095 192 HE ARG 21 HE ARG 21 8.338 -5.929 -2.320 193 1HH1 ARG 21 2HH2 ARG 21 6.720 -4.051 -4.840 194 2HH1 ARG 21 1HH2 ARG 21 6.600 -5.394 -5.955 195 1HH2 ARG 21 2HH1 ARG 21 8.180 -7.703 -3.792 196 2HH2 ARG 21 1HH1 ARG 21 7.432 -7.476 -5.357 197 H ARG 22 H ARG 22 4.194 -1.728 0.492 198 HA ARG 22 HA ARG 22 4.812 0.881 1.435 199 1HB ARG 22 1HB ARG 22 2.907 0.285 -0.064 200 2HB ARG 22 2HB ARG 22 2.114 -0.523 1.310 201 1HG ARG 22 1HG ARG 22 2.886 2.033 2.258 202 2HG ARG 22 2HG ARG 22 2.190 2.304 0.642 203 1HD ARG 22 1HD ARG 22 0.428 2.379 2.354 204 2HD ARG 22 2HD ARG 22 0.198 0.976 1.289 205 HE ARG 22 HE ARG 22 1.680 -0.058 3.345 206 1HH1 ARG 22 2HH2 ARG 22 -1.284 1.861 3.165 207 2HH1 ARG 22 1HH2 ARG 22 -1.973 1.186 4.625 208 1HH2 ARG 22 2HH1 ARG 22 0.771 -0.950 5.274 209 2HH2 ARG 22 1HH1 ARG 22 -0.801 -0.417 5.827 210 H ASN 23 H ASN 23 5.317 -1.648 3.215 211 HA ASN 23 HA ASN 23 4.338 -0.337 5.685 212 1HB ASN 23 1HB ASN 23 3.070 -2.553 4.657 213 2HB ASN 23 2HB ASN 23 4.271 -3.288 5.741 214 1HD2 ASN 23 1HD2 ASN 23 2.833 -3.968 7.339 215 2HD2 ASN 23 2HD2 ASN 23 1.937 -2.853 8.348 216 H GLN 24 H GLN 24 6.921 -0.953 3.981 217 HA GLN 24 HA GLN 24 8.696 -1.069 6.198 218 1HB GLN 24 1HB GLN 24 9.652 -3.405 5.251 219 2HB GLN 24 2HB GLN 24 8.471 -3.320 6.581 220 1HG GLN 24 1HG GLN 24 6.735 -4.059 5.270 221 2HG GLN 24 2HG GLN 24 7.374 -3.287 3.803 222 1HE2 GLN 24 1HE2 GLN 24 7.482 -6.137 5.892 223 2HE2 GLN 24 2HE2 GLN 24 8.365 -7.166 4.786 224 H PHE 25 H PHE 25 9.556 -3.017 3.428 225 HA PHE 25 HA PHE 25 11.780 -1.775 2.606 226 1HB PHE 25 1HB PHE 25 11.111 -3.652 1.379 227 2HB PHE 25 2HB PHE 25 9.521 -2.966 1.007 228 HD1 PHE 25 1HD PHE 25 9.709 -0.615 -0.349 229 HD2 PHE 25 2HD PHE 25 12.608 -3.784 -0.372 230 HE1 PHE 25 1HE PHE 25 10.564 0.183 -2.536 231 HE2 PHE 25 2HE PHE 25 13.463 -2.986 -2.559 232 HZ PHE 25 HZ PHE 25 12.441 -1.002 -3.641 233 H TRP 26 H TRP 26 8.467 -0.593 1.962 234 HA TRP 26 HA TRP 26 9.026 1.468 0.175 235 1HB TRP 26 1HB TRP 26 6.944 2.306 0.731 236 2HB TRP 26 2HB TRP 26 6.805 0.612 1.220 237 HD1 TRP 26 HD TRP 26 6.223 0.117 3.661 238 HE1 TRP 26 1HE TRP 26 5.757 1.497 5.750 239 HE3 TRP 26 3HE TRP 26 7.743 4.697 1.957 240 HZ2 TRP 26 2HZ TRP 26 6.008 4.255 6.590 241 HZ3 TRP 26 3HZ TRP 26 7.614 6.674 3.428 242 HH2 TRP 26 HH TRP 26 6.751 6.471 5.741 243 H VAL 27 H VAL 27 9.282 1.449 3.754 244 HA VAL 27 HA VAL 27 9.781 4.060 4.348 245 HB VAL 27 HB VAL 27 11.110 3.287 6.190 246 1HG1 VAL 27 1HG1 VAL 27 9.310 2.226 7.034 247 2HG1 VAL 27 2HG1 VAL 27 8.682 2.015 5.383 248 3HG1 VAL 27 3HG1 VAL 27 9.717 0.762 6.108 249 1HG2 VAL 27 1HG2 VAL 27 12.819 2.019 5.088 250 2HG2 VAL 27 2HG2 VAL 27 11.963 0.869 6.143 251 3HG2 VAL 27 3HG2 VAL 27 11.631 0.889 4.394 252 H LYS 28 H LYS 28 12.148 1.752 2.927 253 HA LYS 28 HA LYS 28 14.324 3.569 2.833 254 1HB LYS 28 1HB LYS 28 13.575 1.085 1.268 255 2HB LYS 28 2HB LYS 28 15.076 1.985 0.942 256 1HG LYS 28 1HG LYS 28 16.062 1.270 2.867 257 2HG LYS 28 2HG LYS 28 14.566 1.462 3.813 258 1HD LYS 28 1HD LYS 28 14.212 -0.760 3.704 259 2HD LYS 28 2HD LYS 28 14.161 -0.665 1.927 260 1HE LYS 28 1HE LYS 28 16.433 -1.168 1.702 261 2HE LYS 28 2HE LYS 28 16.820 -0.630 3.351 262 1HZ LYS 28 1HZ LYS 28 16.254 -2.590 4.186 263 2HZ LYS 28 2HZ LYS 28 15.010 -2.847 3.133 264 3HZ LYS 28 3HZ LYS 28 16.563 -3.146 2.664 265 H VAL 29 H VAL 29 11.617 2.920 0.600 266 HA VAL 29 HA VAL 29 12.445 4.220 -1.688 267 HB VAL 29 HB VAL 29 9.718 4.300 -0.338 268 1HG1 VAL 29 1HG1 VAL 29 10.767 5.485 -2.821 269 2HG1 VAL 29 2HG1 VAL 29 9.380 4.405 -3.098 270 3HG1 VAL 29 3HG1 VAL 29 9.226 5.783 -1.981 271 1HG2 VAL 29 1HG2 VAL 29 10.776 2.043 -0.879 272 2HG2 VAL 29 2HG2 VAL 29 9.222 2.366 -1.685 273 3HG2 VAL 29 3HG2 VAL 29 10.746 2.531 -2.590 274 H GLN 30 H GLN 30 12.063 5.559 1.464 275 HA GLN 30 HA GLN 30 11.807 8.311 0.408 276 1HB GLN 30 1HB GLN 30 10.962 8.861 2.453 277 2HB GLN 30 2HB GLN 30 10.658 7.111 2.563 278 1HG GLN 30 1HG GLN 30 12.954 6.865 3.596 279 2HG GLN 30 2HG GLN 30 13.057 8.638 3.646 280 1HE2 GLN 30 1HE2 GLN 30 13.232 8.491 5.981 281 2HE2 GLN 30 2HE2 GLN 30 11.800 8.232 6.955 282 H ARG 31 H ARG 31 14.005 6.188 2.276 283 HA ARG 31 HA ARG 31 16.119 6.721 3.144 284 1HB ARG 31 1HB ARG 31 16.556 5.593 1.060 285 2HB ARG 31 2HB ARG 31 16.262 7.082 0.129 286 1HG ARG 31 1HG ARG 31 18.298 8.010 0.706 287 2HG ARG 31 2HG ARG 31 18.350 7.180 2.280 288 1HD ARG 31 1HD ARG 31 19.880 5.846 1.241 289 2HD ARG 31 2HD ARG 31 18.437 5.042 0.587 290 HE ARG 31 HE ARG 31 19.314 7.296 -1.026 291 1HH1 ARG 31 2HH2 ARG 31 19.776 3.865 -0.306 292 2HH1 ARG 31 1HH2 ARG 31 20.431 3.482 -1.883 293 1HH2 ARG 31 2HH1 ARG 31 20.180 6.790 -3.108 294 2HH2 ARG 31 1HH1 ARG 31 20.661 5.150 -3.480 295 H GLY 32 H GLY 32 15.590 8.645 4.372 296 1HA GLY 32 1HA GLY 32 17.189 10.896 3.632 297 2HA GLY 32 2HA GLY 32 15.469 11.253 3.358 Start of MODEL 7 1 HA PRO 1 HA PRO 1 -10.817 9.736 0.312 2 1HB PRO 1 1HB PRO 1 -12.170 7.416 0.771 3 2HB PRO 1 2HB PRO 1 -10.479 7.649 1.322 4 1HG PRO 1 1HG PRO 1 -13.011 8.055 2.939 5 2HG PRO 1 2HG PRO 1 -11.581 7.068 3.386 6 1HD PRO 1 1HD PRO 1 -11.871 9.631 4.268 7 2HD PRO 1 2HD PRO 1 -10.267 9.022 3.759 8 HA PRO 2 HA PRO 2 -14.822 10.828 -1.157 9 1HB PRO 2 1HB PRO 2 -15.393 9.007 -3.101 10 2HB PRO 2 2HB PRO 2 -14.007 10.137 -3.242 11 1HG PRO 2 1HG PRO 2 -13.952 7.276 -2.239 12 2HG PRO 2 2HG PRO 2 -12.918 8.003 -3.511 13 1HD PRO 2 1HD PRO 2 -12.068 7.806 -0.929 14 2HD PRO 2 2HD PRO 2 -11.705 9.269 -1.895 15 H LEU 3 H LEU 3 -14.305 7.981 0.613 16 HA LEU 3 HA LEU 3 -15.740 6.345 1.450 17 1HB LEU 3 1HB LEU 3 -16.204 8.994 2.434 18 2HB LEU 3 2HB LEU 3 -17.770 8.150 2.368 19 HG LEU 3 HG LEU 3 -15.515 6.511 3.386 20 1HD1 LEU 3 1HD1 LEU 3 -15.894 7.673 5.699 21 2HD1 LEU 3 2HD1 LEU 3 -14.778 8.430 4.537 22 3HD1 LEU 3 3HD1 LEU 3 -16.430 9.065 4.728 23 1HD2 LEU 3 1HD2 LEU 3 -17.633 6.597 5.216 24 2HD2 LEU 3 2HD2 LEU 3 -18.421 6.812 3.635 25 3HD2 LEU 3 3HD2 LEU 3 -17.400 5.385 3.934 26 H SER 4 H SER 4 -16.184 6.228 -1.196 27 HA SER 4 HA SER 4 -19.105 5.814 -1.304 28 1HB SER 4 1HB SER 4 -18.105 8.108 -2.368 29 2HB SER 4 2HB SER 4 -17.902 7.005 -3.751 30 HG SER 4 HG SER 4 -20.300 6.740 -2.446 31 H GLN 5 H GLN 5 -16.296 4.388 -1.287 32 HA GLN 5 HA GLN 5 -15.811 2.226 -2.008 33 1HB GLN 5 1HB GLN 5 -17.336 1.039 -3.203 34 2HB GLN 5 2HB GLN 5 -18.385 2.448 -2.916 35 1HG GLN 5 1HG GLN 5 -17.172 3.398 -5.069 36 2HG GLN 5 2HG GLN 5 -16.841 1.681 -5.388 37 1HE2 GLN 5 1HE2 GLN 5 -18.729 3.871 -6.570 38 2HE2 GLN 5 2HE2 GLN 5 -20.271 3.049 -6.683 39 H GLU 6 H GLU 6 -15.861 5.148 -3.845 40 HA GLU 6 HA GLU 6 -14.680 4.698 -6.232 41 1HB GLU 6 1HB GLU 6 -14.813 6.836 -4.410 42 2HB GLU 6 2HB GLU 6 -13.083 6.657 -4.786 43 1HG GLU 6 1HG GLU 6 -13.678 7.960 -6.583 44 2HG GLU 6 2HG GLU 6 -14.075 6.371 -7.273 45 H THR 7 H THR 7 -12.835 4.791 -3.127 46 HA THR 7 HA THR 7 -10.586 3.463 -4.522 47 HB THR 7 HB THR 7 -10.119 4.067 -1.728 48 HG1 THR 7 1HG THR 7 -10.759 6.087 -1.630 49 1HG2 THR 7 1HG2 THR 7 -8.186 4.074 -2.965 50 2HG2 THR 7 2HG2 THR 7 -9.008 4.644 -4.438 51 3HG2 THR 7 3HG2 THR 7 -8.583 5.799 -3.152 52 H PHE 8 H PHE 8 -11.208 3.152 -1.066 53 HA PHE 8 HA PHE 8 -10.720 0.900 -0.166 54 1HB PHE 8 1HB PHE 8 -13.700 0.968 -0.528 55 2HB PHE 8 2HB PHE 8 -12.748 0.562 0.909 56 HD1 PHE 8 1HD PHE 8 -12.950 3.551 -1.372 57 HD2 PHE 8 2HD PHE 8 -13.113 2.040 2.645 58 HE1 PHE 8 1HE PHE 8 -13.256 5.858 -0.517 59 HE2 PHE 8 2HE PHE 8 -13.419 4.347 3.501 60 HZ PHE 8 HZ PHE 8 -13.490 6.257 1.920 61 H SER 9 H SER 9 -13.426 0.708 -2.556 62 HA SER 9 HA SER 9 -13.612 -1.926 -3.035 63 1HB SER 9 1HB SER 9 -14.663 0.040 -4.313 64 2HB SER 9 2HB SER 9 -13.221 -0.013 -5.355 65 HG SER 9 HG SER 9 -15.205 -1.978 -4.949 66 H ASP 10 H ASP 10 -11.132 0.104 -4.706 67 HA ASP 10 HA ASP 10 -9.580 -2.390 -5.172 68 1HB ASP 10 1HB ASP 10 -9.996 0.161 -6.642 69 2HB ASP 10 2HB ASP 10 -8.340 -0.483 -6.661 70 H LEU 11 H LEU 11 -9.697 0.601 -3.402 71 HA LEU 11 HA LEU 11 -6.888 0.949 -2.979 72 1HB LEU 11 1HB LEU 11 -8.859 2.588 -2.583 73 2HB LEU 11 2HB LEU 11 -9.058 1.747 -1.027 74 HG LEU 11 HG LEU 11 -6.614 3.245 -2.042 75 1HD1 LEU 11 1HD1 LEU 11 -7.049 4.150 0.444 76 2HD1 LEU 11 2HD1 LEU 11 -7.919 4.819 -0.958 77 3HD1 LEU 11 3HD1 LEU 11 -8.705 3.607 0.082 78 1HD2 LEU 11 1HD2 LEU 11 -5.629 2.504 0.204 79 2HD2 LEU 11 2HD2 LEU 11 -6.931 1.292 0.267 80 3HD2 LEU 11 3HD2 LEU 11 -5.736 1.246 -1.051 81 H TRP 12 H TRP 12 -9.390 -0.164 -0.622 82 HA TRP 12 HA TRP 12 -7.631 -1.183 1.278 83 1HB TRP 12 1HB TRP 12 -9.562 -1.656 2.277 84 2HB TRP 12 2HB TRP 12 -10.396 -1.146 0.802 85 HD1 TRP 12 HD TRP 12 -12.004 -2.848 -0.097 86 HE1 TRP 12 1HE TRP 12 -12.315 -5.375 -0.017 87 HE3 TRP 12 3HE TRP 12 -7.814 -4.093 2.566 88 HZ2 TRP 12 2HZ TRP 12 -10.921 -7.667 1.069 89 HZ3 TRP 12 3HZ TRP 12 -7.340 -6.454 3.103 90 HH2 TRP 12 HH TRP 12 -8.880 -8.249 2.364 91 H LYS 13 H LYS 13 -8.803 -2.648 -1.748 92 HA LYS 13 HA LYS 13 -7.678 -5.251 -1.170 93 1HB LYS 13 1HB LYS 13 -9.496 -4.199 -2.993 94 2HB LYS 13 2HB LYS 13 -8.075 -4.573 -3.999 95 1HG LYS 13 1HG LYS 13 -8.114 -6.819 -2.523 96 2HG LYS 13 2HG LYS 13 -9.843 -6.410 -2.418 97 1HD LYS 13 1HD LYS 13 -10.083 -6.422 -4.808 98 2HD LYS 13 2HD LYS 13 -8.320 -6.480 -5.050 99 1HE LYS 13 1HE LYS 13 -8.540 -8.692 -3.583 100 2HE LYS 13 2HE LYS 13 -10.211 -8.653 -4.186 101 1HZ LYS 13 1HZ LYS 13 -9.134 -9.820 -5.778 102 2HZ LYS 13 2HZ LYS 13 -9.044 -8.303 -6.419 103 3HZ LYS 13 3HZ LYS 13 -7.731 -8.960 -5.667 104 H LEU 14 H LEU 14 -6.565 -2.236 -2.627 105 HA LEU 14 HA LEU 14 -4.349 -3.241 -4.075 106 1HB LEU 14 1HB LEU 14 -5.445 -0.701 -3.292 107 2HB LEU 14 2HB LEU 14 -3.698 -0.699 -2.950 108 HG LEU 14 HG LEU 14 -4.018 0.037 -5.242 109 1HD1 LEU 14 1HD1 LEU 14 -2.540 -2.274 -4.484 110 2HD1 LEU 14 2HD1 LEU 14 -3.249 -2.626 -6.078 111 3HD1 LEU 14 3HD1 LEU 14 -2.227 -1.185 -5.857 112 1HD2 LEU 14 1HD2 LEU 14 -6.223 -0.804 -5.716 113 2HD2 LEU 14 2HD2 LEU 14 -5.120 -1.581 -6.877 114 3HD2 LEU 14 3HD2 LEU 14 -5.703 -2.487 -5.460 115 H LEU 15 H LEU 15 -4.682 -2.154 -0.667 116 HA LEU 15 HA LEU 15 -1.913 -2.604 -0.034 117 1HB LEU 15 1HB LEU 15 -4.426 -1.893 1.389 118 2HB LEU 15 2HB LEU 15 -3.184 -2.710 2.368 119 HG LEU 15 HG LEU 15 -1.943 -0.723 0.659 120 1HD1 LEU 15 1HD1 LEU 15 -3.822 0.527 2.659 121 2HD1 LEU 15 2HD1 LEU 15 -3.041 1.254 1.235 122 3HD1 LEU 15 3HD1 LEU 15 -4.418 0.146 1.025 123 1HD2 LEU 15 1HD2 LEU 15 -1.737 0.131 3.287 124 2HD2 LEU 15 2HD2 LEU 15 -2.033 -1.614 3.472 125 3HD2 LEU 15 3HD2 LEU 15 -0.654 -1.043 2.502 126 H LYS 16 H LYS 16 -4.431 -4.721 -0.777 127 HA LYS 16 HA LYS 16 -3.834 -6.801 1.148 128 1HB LYS 16 1HB LYS 16 -5.903 -6.251 -0.594 129 2HB LYS 16 2HB LYS 16 -5.066 -7.590 -1.415 130 1HG LYS 16 1HG LYS 16 -5.386 -7.927 1.518 131 2HG LYS 16 2HG LYS 16 -6.908 -7.919 0.595 132 1HD LYS 16 1HD LYS 16 -4.740 -9.501 -0.655 133 2HD LYS 16 2HD LYS 16 -5.277 -10.121 0.924 134 1HE LYS 16 1HE LYS 16 -7.020 -11.059 -0.152 135 2HE LYS 16 2HE LYS 16 -7.650 -9.415 -0.389 136 1HZ LYS 16 1HZ LYS 16 -7.512 -10.479 -2.460 137 2HZ LYS 16 2HZ LYS 16 -6.316 -9.344 -2.424 138 3HZ LYS 16 3HZ LYS 16 -5.946 -10.939 -2.224 139 H LYS 17 H LYS 17 -1.773 -5.503 -0.885 140 HA LYS 17 HA LYS 17 -0.230 -7.928 -1.185 141 1HB LYS 17 1HB LYS 17 -1.118 -8.518 -3.186 142 2HB LYS 17 2HB LYS 17 -1.873 -6.924 -3.428 143 1HG LYS 17 1HG LYS 17 1.110 -7.460 -3.737 144 2HG LYS 17 2HG LYS 17 -0.046 -7.459 -5.090 145 1HD LYS 17 1HD LYS 17 -0.603 -5.086 -3.697 146 2HD LYS 17 2HD LYS 17 1.173 -5.200 -3.684 147 1HE LYS 17 1HE LYS 17 -0.405 -5.711 -6.216 148 2HE LYS 17 2HE LYS 17 0.015 -4.056 -5.721 149 1HZ LYS 17 1HZ LYS 17 1.714 -4.774 -7.086 150 2HZ LYS 17 2HZ LYS 17 2.334 -4.920 -5.565 151 3HZ LYS 17 3HZ LYS 17 1.821 -6.260 -6.378 152 H TRP 18 H TRP 18 -0.788 -4.497 -1.982 153 HA TRP 18 HA TRP 18 1.986 -3.955 -2.571 154 1HB TRP 18 1HB TRP 18 -0.311 -2.689 -3.106 155 2HB TRP 18 2HB TRP 18 0.116 -1.830 -1.620 156 HD1 TRP 18 HD TRP 18 0.587 -1.671 -5.221 157 HE1 TRP 18 1HE TRP 18 2.456 -0.076 -5.893 158 HE3 TRP 18 3HE TRP 18 2.819 -1.072 -0.654 159 HZ2 TRP 18 2HZ TRP 18 4.657 1.298 -4.613 160 HZ3 TRP 18 3HZ TRP 18 4.797 0.385 -0.420 161 HH2 TRP 18 HH TRP 18 5.726 1.575 -2.385 162 H LYS 19 H LYS 19 -0.152 -3.552 0.285 163 HA LYS 19 HA LYS 19 1.337 -2.128 2.033 164 1HB LYS 19 1HB LYS 19 -0.799 -3.271 2.567 165 2HB LYS 19 2HB LYS 19 0.066 -4.824 2.653 166 1HG LYS 19 1HG LYS 19 1.425 -2.814 4.258 167 2HG LYS 19 2HG LYS 19 -0.284 -2.942 4.739 168 1HD LYS 19 1HD LYS 19 0.276 -5.569 4.503 169 2HD LYS 19 2HD LYS 19 1.908 -4.977 4.893 170 1HE LYS 19 1HE LYS 19 0.745 -3.652 6.799 171 2HE LYS 19 2HE LYS 19 -0.636 -4.735 6.520 172 1HZ LYS 19 1HZ LYS 19 0.562 -6.527 7.190 173 2HZ LYS 19 2HZ LYS 19 2.030 -5.836 6.899 174 3HZ LYS 19 3HZ LYS 19 1.142 -5.366 8.207 175 H MET 20 H MET 20 2.000 -5.505 1.039 176 HA MET 20 HA MET 20 3.924 -6.365 2.716 177 1HB MET 20 1HB MET 20 3.807 -7.833 0.990 178 2HB MET 20 2HB MET 20 3.490 -6.552 -0.204 179 1HG MET 20 1HG MET 20 6.102 -6.056 0.624 180 2HG MET 20 2HG MET 20 6.019 -7.825 0.570 181 1HE MET 20 1HE MET 20 5.344 -4.518 -1.301 182 2HE MET 20 2HE MET 20 5.139 -5.012 -2.999 183 3HE MET 20 3HE MET 20 3.886 -5.410 -1.798 184 H ARG 21 H ARG 21 4.411 -3.854 0.197 185 HA ARG 21 HA ARG 21 7.130 -3.364 1.255 186 1HB ARG 21 1HB ARG 21 5.616 -2.580 -1.242 187 2HB ARG 21 2HB ARG 21 7.094 -1.713 -0.757 188 1HG ARG 21 1HG ARG 21 8.454 -3.567 -1.083 189 2HG ARG 21 2HG ARG 21 7.135 -4.722 -0.774 190 1HD ARG 21 1HD ARG 21 6.134 -3.557 -2.978 191 2HD ARG 21 2HD ARG 21 7.858 -3.262 -3.291 192 HE ARG 21 HE ARG 21 7.862 -5.899 -2.653 193 1HH1 ARG 21 2HH2 ARG 21 5.849 -3.960 -4.818 194 2HH1 ARG 21 1HH2 ARG 21 5.551 -5.271 -5.937 195 1HH2 ARG 21 2HH1 ARG 21 7.468 -7.631 -4.132 196 2HH2 ARG 21 1HH1 ARG 21 6.475 -7.364 -5.546 197 H ARG 22 H ARG 22 3.997 -1.711 0.659 198 HA ARG 22 HA ARG 22 4.779 0.818 1.685 199 1HB ARG 22 1HB ARG 22 2.750 0.390 0.313 200 2HB ARG 22 2HB ARG 22 2.033 -0.498 1.680 201 1HG ARG 22 1HG ARG 22 2.971 1.990 2.710 202 2HG ARG 22 2HG ARG 22 2.093 2.353 1.205 203 1HD ARG 22 1HD ARG 22 0.600 2.317 3.208 204 2HD ARG 22 2HD ARG 22 0.146 1.107 1.989 205 HE ARG 22 HE ARG 22 1.739 -0.367 3.584 206 1HH1 ARG 22 2HH2 ARG 22 -0.835 1.939 4.331 207 2HH1 ARG 22 1HH2 ARG 22 -1.308 1.139 5.814 208 1HH2 ARG 22 2HH1 ARG 22 1.114 -1.423 5.542 209 2HH2 ARG 22 1HH1 ARG 22 -0.197 -0.778 6.503 210 H ASN 23 H ASN 23 5.318 -1.817 3.296 211 HA ASN 23 HA ASN 23 4.585 -0.598 5.895 212 1HB ASN 23 1HB ASN 23 3.149 -2.710 4.862 213 2HB ASN 23 2HB ASN 23 4.395 -3.543 5.817 214 1HD2 ASN 23 1HD2 ASN 23 3.519 -4.116 7.731 215 2HD2 ASN 23 2HD2 ASN 23 2.568 -3.068 8.762 216 H GLN 24 H GLN 24 7.003 -1.219 3.971 217 HA GLN 24 HA GLN 24 8.932 -1.529 6.038 218 1HB GLN 24 1HB GLN 24 9.720 -3.837 4.895 219 2HB GLN 24 2HB GLN 24 8.637 -3.789 6.307 220 1HG GLN 24 1HG GLN 24 6.811 -4.440 5.095 221 2HG GLN 24 2HG GLN 24 7.313 -3.526 3.656 222 1HE2 GLN 24 1HE2 GLN 24 6.697 -6.572 4.700 223 2HE2 GLN 24 2HE2 GLN 24 7.804 -7.485 3.697 224 H PHE 25 H PHE 25 9.515 -3.341 3.111 225 HA PHE 25 HA PHE 25 11.717 -2.123 2.195 226 1HB PHE 25 1HB PHE 25 10.902 -3.910 0.925 227 2HB PHE 25 2HB PHE 25 9.311 -3.161 0.707 228 HD1 PHE 25 1HD PHE 25 9.474 -0.747 -0.536 229 HD2 PHE 25 2HD PHE 25 12.264 -3.989 -0.936 230 HE1 PHE 25 1HE PHE 25 10.193 0.144 -2.736 231 HE2 PHE 25 2HE PHE 25 12.983 -3.098 -3.136 232 HZ PHE 25 HZ PHE 25 11.948 -1.032 -4.036 233 H TRP 26 H TRP 26 8.409 -0.808 1.865 234 HA TRP 26 HA TRP 26 8.902 1.326 0.146 235 1HB TRP 26 1HB TRP 26 6.899 2.195 0.901 236 2HB TRP 26 2HB TRP 26 6.739 0.484 1.321 237 HD1 TRP 26 HD TRP 26 6.328 -0.111 3.774 238 HE1 TRP 26 1HE TRP 26 6.072 1.180 5.955 239 HE3 TRP 26 3HE TRP 26 7.873 4.497 2.170 240 HZ2 TRP 26 2HZ TRP 26 6.483 3.884 6.899 241 HZ3 TRP 26 3HZ TRP 26 7.926 6.403 3.737 242 HH2 TRP 26 HH TRP 26 7.237 6.115 6.098 243 H VAL 27 H VAL 27 9.427 1.111 3.690 244 HA VAL 27 HA VAL 27 10.063 3.671 4.372 245 HB VAL 27 HB VAL 27 11.496 2.761 6.066 246 1HG1 VAL 27 1HG1 VAL 27 9.727 1.715 6.992 247 2HG1 VAL 27 2HG1 VAL 27 8.972 1.608 5.384 248 3HG1 VAL 27 3HG1 VAL 27 10.014 0.288 5.967 249 1HG2 VAL 27 1HG2 VAL 27 13.070 1.501 4.765 250 2HG2 VAL 27 2HG2 VAL 27 12.266 0.330 5.839 251 3HG2 VAL 27 3HG2 VAL 27 11.792 0.438 4.126 252 H LYS 28 H LYS 28 12.236 1.364 2.667 253 HA LYS 28 HA LYS 28 14.462 3.112 2.495 254 1HB LYS 28 1HB LYS 28 13.507 0.743 0.864 255 2HB LYS 28 2HB LYS 28 15.015 1.607 0.478 256 1HG LYS 28 1HG LYS 28 14.385 0.515 3.247 257 2HG LYS 28 2HG LYS 28 15.281 -0.408 2.017 258 1HD LYS 28 1HD LYS 28 17.175 0.704 2.522 259 2HD LYS 28 2HD LYS 28 16.377 2.259 2.188 260 1HE LYS 28 1HE LYS 28 15.775 2.585 4.409 261 2HE LYS 28 2HE LYS 28 15.770 0.846 4.773 262 1HZ LYS 28 1HZ LYS 28 18.304 1.272 4.159 263 2HZ LYS 28 2HZ LYS 28 17.924 2.723 4.846 264 3HZ LYS 28 3HZ LYS 28 17.703 1.325 5.694 265 H VAL 29 H VAL 29 11.575 2.669 0.443 266 HA VAL 29 HA VAL 29 12.277 4.063 -1.831 267 HB VAL 29 HB VAL 29 9.661 4.159 -0.277 268 1HG1 VAL 29 1HG1 VAL 29 9.800 5.993 -1.909 269 2HG1 VAL 29 2HG1 VAL 29 10.320 4.852 -3.172 270 3HG1 VAL 29 3HG1 VAL 29 8.678 4.740 -2.494 271 1HG2 VAL 29 1HG2 VAL 29 10.592 1.899 -1.002 272 2HG2 VAL 29 2HG2 VAL 29 8.999 2.314 -1.678 273 3HG2 VAL 29 3HG2 VAL 29 10.460 2.473 -2.682 274 H GLN 30 H GLN 30 12.173 5.243 1.405 275 HA GLN 30 HA GLN 30 11.937 8.054 0.514 276 1HB GLN 30 1HB GLN 30 11.267 8.519 2.643 277 2HB GLN 30 2HB GLN 30 10.913 6.775 2.687 278 1HG GLN 30 1HG GLN 30 13.269 6.405 3.527 279 2HG GLN 30 2HG GLN 30 13.439 8.169 3.656 280 1HE2 GLN 30 1HE2 GLN 30 12.259 9.322 5.248 281 2HE2 GLN 30 2HE2 GLN 30 11.484 8.508 6.590 282 H ARG 31 H ARG 31 14.194 5.767 2.096 283 HA ARG 31 HA ARG 31 16.385 6.188 2.825 284 1HB ARG 31 1HB ARG 31 16.626 5.158 0.661 285 2HB ARG 31 2HB ARG 31 16.313 6.701 -0.170 286 1HG ARG 31 1HG ARG 31 18.459 7.091 1.709 287 2HG ARG 31 2HG ARG 31 18.823 5.655 0.723 288 1HD ARG 31 1HD ARG 31 18.664 6.874 -1.309 289 2HD ARG 31 2HD ARG 31 17.837 8.236 -0.524 290 HE ARG 31 HE ARG 31 20.537 7.701 0.475 291 1HH1 ARG 31 2HH2 ARG 31 18.514 9.424 -1.857 292 2HH1 ARG 31 1HH2 ARG 31 19.685 10.692 -2.143 293 1HH2 ARG 31 2HH1 ARG 31 22.084 9.375 0.097 294 2HH2 ARG 31 1HH1 ARG 31 21.721 10.663 -1.029 295 H GLY 32 H GLY 32 16.159 8.023 4.205 296 1HA GLY 32 1HA GLY 32 16.759 10.633 2.896 297 2HA GLY 32 2HA GLY 32 15.955 10.428 4.469 Start of MODEL 8 1 HA PRO 1 HA PRO 1 -12.879 11.395 2.226 2 1HB PRO 1 1HB PRO 1 -15.022 9.723 2.403 3 2HB PRO 1 2HB PRO 1 -14.483 10.718 3.794 4 1HG PRO 1 1HG PRO 1 -16.668 11.379 1.799 5 2HG PRO 1 2HG PRO 1 -16.790 11.388 3.589 6 1HD PRO 1 1HD PRO 1 -16.284 13.670 2.186 7 2HD PRO 1 2HD PRO 1 -15.445 13.353 3.735 8 HA PRO 2 HA PRO 2 -13.214 10.076 -1.962 9 1HB PRO 2 1HB PRO 2 -12.975 7.363 -1.873 10 2HB PRO 2 2HB PRO 2 -11.648 8.447 -1.342 11 1HG PRO 2 1HG PRO 2 -13.752 7.129 0.398 12 2HG PRO 2 2HG PRO 2 -11.973 7.086 0.621 13 1HD PRO 2 1HD PRO 2 -13.529 8.890 1.946 14 2HD PRO 2 2HD PRO 2 -11.936 9.375 1.289 15 H LEU 3 H LEU 3 -15.701 9.716 0.184 16 HA LEU 3 HA LEU 3 -17.971 9.635 -0.348 17 1HB LEU 3 1HB LEU 3 -16.950 9.681 -2.865 18 2HB LEU 3 2HB LEU 3 -17.620 8.031 -2.831 19 HG LEU 3 HG LEU 3 -19.326 9.615 -3.621 20 1HD1 LEU 3 1HD1 LEU 3 -19.874 8.734 -0.755 21 2HD1 LEU 3 2HD1 LEU 3 -21.091 9.072 -2.009 22 3HD1 LEU 3 3HD1 LEU 3 -19.995 7.680 -2.184 23 1HD2 LEU 3 1HD2 LEU 3 -18.548 11.049 -1.072 24 2HD2 LEU 3 2HD2 LEU 3 -18.720 11.704 -2.718 25 3HD2 LEU 3 3HD2 LEU 3 -20.167 11.270 -1.778 26 H SER 4 H SER 4 -15.650 7.177 -0.093 27 HA SER 4 HA SER 4 -15.789 5.143 0.975 28 1HB SER 4 1HB SER 4 -17.636 4.623 2.266 29 2HB SER 4 2HB SER 4 -17.890 6.371 2.048 30 HG SER 4 HG SER 4 -19.382 4.287 1.177 31 H GLN 5 H GLN 5 -15.545 3.226 -0.032 32 HA GLN 5 HA GLN 5 -16.140 1.423 -1.388 33 1HB GLN 5 1HB GLN 5 -18.542 2.569 -1.258 34 2HB GLN 5 2HB GLN 5 -18.145 3.042 -2.928 35 1HG GLN 5 1HG GLN 5 -17.873 0.774 -3.613 36 2HG GLN 5 2HG GLN 5 -17.825 0.192 -1.935 37 1HE2 GLN 5 1HE2 GLN 5 -19.535 -1.312 -2.782 38 2HE2 GLN 5 2HE2 GLN 5 -21.195 -0.758 -2.759 39 H GLU 6 H GLU 6 -15.960 4.743 -2.673 40 HA GLU 6 HA GLU 6 -15.221 4.235 -5.307 41 1HB GLU 6 1HB GLU 6 -14.497 6.375 -3.305 42 2HB GLU 6 2HB GLU 6 -13.767 6.379 -4.928 43 1HG GLU 6 1HG GLU 6 -16.709 5.934 -4.830 44 2HG GLU 6 2HG GLU 6 -16.159 7.551 -4.340 45 H THR 7 H THR 7 -13.099 4.402 -2.399 46 HA THR 7 HA THR 7 -10.860 3.370 -4.024 47 HB THR 7 HB THR 7 -10.387 3.742 -1.158 48 HG1 THR 7 1HG THR 7 -11.197 5.660 -0.934 49 1HG2 THR 7 1HG2 THR 7 -8.685 3.614 -3.006 50 2HG2 THR 7 2HG2 THR 7 -9.300 5.167 -3.623 51 3HG2 THR 7 3HG2 THR 7 -8.541 5.086 -2.015 52 H PHE 8 H PHE 8 -11.214 2.623 -0.606 53 HA PHE 8 HA PHE 8 -10.568 0.378 0.085 54 1HB PHE 8 1HB PHE 8 -13.528 0.140 -0.392 55 2HB PHE 8 2HB PHE 8 -12.574 -0.350 1.019 56 HD1 PHE 8 1HD PHE 8 -13.011 2.884 -0.857 57 HD2 PHE 8 2HD PHE 8 -13.184 0.827 2.910 58 HE1 PHE 8 1HE PHE 8 -13.594 5.011 0.278 59 HE2 PHE 8 2HE PHE 8 -13.767 2.954 4.045 60 HZ PHE 8 HZ PHE 8 -13.972 5.046 2.728 61 H SER 9 H SER 9 -13.179 0.075 -2.395 62 HA SER 9 HA SER 9 -12.985 -2.495 -3.145 63 1HB SER 9 1HB SER 9 -14.329 -0.647 -4.248 64 2HB SER 9 2HB SER 9 -12.873 -0.254 -5.194 65 HG SER 9 HG SER 9 -14.232 -2.747 -5.108 66 H ASP 10 H ASP 10 -10.839 0.006 -4.630 67 HA ASP 10 HA ASP 10 -8.976 -2.158 -5.395 68 1HB ASP 10 1HB ASP 10 -9.211 0.782 -6.119 69 2HB ASP 10 2HB ASP 10 -7.857 -0.246 -6.635 70 H LEU 11 H LEU 11 -9.366 0.538 -3.166 71 HA LEU 11 HA LEU 11 -6.607 0.868 -2.492 72 1HB LEU 11 1HB LEU 11 -8.888 2.226 -1.948 73 2HB LEU 11 2HB LEU 11 -8.695 1.338 -0.418 74 HG LEU 11 HG LEU 11 -6.289 2.138 -0.364 75 1HD1 LEU 11 1HD1 LEU 11 -5.427 3.241 -2.131 76 2HD1 LEU 11 2HD1 LEU 11 -6.949 2.946 -3.005 77 3HD1 LEU 11 3HD1 LEU 11 -6.739 4.443 -2.066 78 1HD2 LEU 11 1HD2 LEU 11 -7.520 4.724 -0.350 79 2HD2 LEU 11 2HD2 LEU 11 -8.735 3.545 0.199 80 3HD2 LEU 11 3HD2 LEU 11 -7.169 3.666 1.037 81 H TRP 12 H TRP 12 -9.224 -0.602 -0.482 82 HA TRP 12 HA TRP 12 -7.588 -1.848 1.378 83 1HB TRP 12 1HB TRP 12 -9.573 -2.513 2.129 84 2HB TRP 12 2HB TRP 12 -10.305 -1.836 0.667 85 HD1 TRP 12 HD TRP 12 -11.766 -3.457 -0.568 86 HE1 TRP 12 1HE TRP 12 -11.957 -5.980 -0.860 87 HE3 TRP 12 3HE TRP 12 -7.720 -4.901 2.214 88 HZ2 TRP 12 2HZ TRP 12 -10.533 -8.347 0.004 89 HZ3 TRP 12 3HZ TRP 12 -7.170 -7.294 2.456 90 HH2 TRP 12 HH TRP 12 -8.562 -9.025 1.360 91 H LYS 13 H LYS 13 -8.503 -2.941 -1.894 92 HA LYS 13 HA LYS 13 -7.299 -5.547 -1.604 93 1HB LYS 13 1HB LYS 13 -9.116 -4.644 -3.282 94 2HB LYS 13 2HB LYS 13 -7.701 -4.161 -4.250 95 1HG LYS 13 1HG LYS 13 -7.592 -6.910 -3.117 96 2HG LYS 13 2HG LYS 13 -8.842 -6.645 -4.355 97 1HD LYS 13 1HD LYS 13 -6.211 -5.442 -4.995 98 2HD LYS 13 2HD LYS 13 -6.203 -7.219 -4.896 99 1HE LYS 13 1HE LYS 13 -8.443 -6.959 -6.317 100 2HE LYS 13 2HE LYS 13 -7.702 -5.409 -6.771 101 1HZ LYS 13 1HZ LYS 13 -7.076 -7.089 -8.295 102 2HZ LYS 13 2HZ LYS 13 -5.743 -6.655 -7.426 103 3HZ LYS 13 3HZ LYS 13 -6.517 -8.074 -7.096 104 H LEU 14 H LEU 14 -6.217 -2.332 -2.639 105 HA LEU 14 HA LEU 14 -3.811 -3.129 -3.922 106 1HB LEU 14 1HB LEU 14 -5.082 -0.675 -2.961 107 2HB LEU 14 2HB LEU 14 -3.316 -0.648 -2.736 108 HG LEU 14 HG LEU 14 -4.482 0.053 -5.065 109 1HD1 LEU 14 1HD1 LEU 14 -2.219 -1.236 -6.000 110 2HD1 LEU 14 2HD1 LEU 14 -2.236 0.366 -5.225 111 3HD1 LEU 14 3HD1 LEU 14 -1.876 -1.085 -4.260 112 1HD2 LEU 14 1HD2 LEU 14 -5.122 -2.654 -4.916 113 2HD2 LEU 14 2HD2 LEU 14 -5.112 -1.668 -6.398 114 3HD2 LEU 14 3HD2 LEU 14 -3.681 -2.633 -5.961 115 H LEU 15 H LEU 15 -4.539 -2.215 -0.520 116 HA LEU 15 HA LEU 15 -1.847 -2.519 0.397 117 1HB LEU 15 1HB LEU 15 -4.570 -2.456 1.718 118 2HB LEU 15 2HB LEU 15 -3.088 -2.746 2.660 119 HG LEU 15 HG LEU 15 -2.980 -0.472 0.737 120 1HD1 LEU 15 1HD1 LEU 15 -5.114 -0.746 2.731 121 2HD1 LEU 15 2HD1 LEU 15 -4.094 0.681 3.031 122 3HD1 LEU 15 3HD1 LEU 15 -4.902 0.480 1.458 123 1HD2 LEU 15 1HD2 LEU 15 -2.248 0.268 3.360 124 2HD2 LEU 15 2HD2 LEU 15 -1.724 -1.424 3.188 125 3HD2 LEU 15 3HD2 LEU 15 -1.154 -0.194 2.035 126 H LYS 16 H LYS 16 -4.144 -4.782 -0.694 127 HA LYS 16 HA LYS 16 -3.423 -6.948 1.099 128 1HB LYS 16 1HB LYS 16 -5.515 -6.440 -0.615 129 2HB LYS 16 2HB LYS 16 -4.557 -7.616 -1.548 130 1HG LYS 16 1HG LYS 16 -4.445 -8.838 0.839 131 2HG LYS 16 2HG LYS 16 -5.965 -7.945 1.083 132 1HD LYS 16 1HD LYS 16 -6.989 -8.973 -0.818 133 2HD LYS 16 2HD LYS 16 -5.432 -9.602 -1.408 134 1HE LYS 16 1HE LYS 16 -5.300 -10.932 0.774 135 2HE LYS 16 2HE LYS 16 -6.997 -10.480 1.043 136 1HZ LYS 16 1HZ LYS 16 -5.866 -12.321 -0.843 137 2HZ LYS 16 2HZ LYS 16 -7.333 -12.339 -0.091 138 3HZ LYS 16 3HZ LYS 16 -7.098 -11.387 -1.417 139 H LYS 17 H LYS 17 -1.417 -5.347 -0.725 140 HA LYS 17 HA LYS 17 0.355 -7.555 -1.152 141 1HB LYS 17 1HB LYS 17 -0.346 -8.219 -3.186 142 2HB LYS 17 2HB LYS 17 -1.462 -6.839 -3.328 143 1HG LYS 17 1HG LYS 17 1.546 -6.688 -3.793 144 2HG LYS 17 2HG LYS 17 0.330 -6.834 -5.084 145 1HD LYS 17 1HD LYS 17 -0.574 -4.724 -3.437 146 2HD LYS 17 2HD LYS 17 1.178 -4.469 -3.613 147 1HE LYS 17 1HE LYS 17 0.763 -3.606 -5.651 148 2HE LYS 17 2HE LYS 17 0.297 -5.240 -6.171 149 1HZ LYS 17 1HZ LYS 17 -1.638 -3.563 -4.800 150 2HZ LYS 17 2HZ LYS 17 -1.333 -3.302 -6.399 151 3HZ LYS 17 3HZ LYS 17 -1.885 -4.772 -5.894 152 H TRP 18 H TRP 18 -0.619 -4.200 -1.790 153 HA TRP 18 HA TRP 18 2.084 -3.334 -2.407 154 1HB TRP 18 1HB TRP 18 -0.381 -2.353 -2.926 155 2HB TRP 18 2HB TRP 18 0.015 -1.408 -1.483 156 HD1 TRP 18 HD TRP 18 0.750 -1.712 -5.149 157 HE1 TRP 18 1HE TRP 18 2.291 0.162 -5.925 158 HE3 TRP 18 3HE TRP 18 2.093 0.172 -0.583 159 HZ2 TRP 18 2HZ TRP 18 3.915 2.232 -4.719 160 HZ3 TRP 18 3HZ TRP 18 3.636 2.091 -0.437 161 HH2 TRP 18 HH TRP 18 4.554 3.130 -2.490 162 H LYS 19 H LYS 19 -0.025 -3.519 0.446 163 HA LYS 19 HA LYS 19 1.419 -1.823 2.170 164 1HB LYS 19 1HB LYS 19 0.060 -2.681 3.814 165 2HB LYS 19 2HB LYS 19 -0.848 -3.242 2.390 166 1HG LYS 19 1HG LYS 19 0.467 -5.394 2.488 167 2HG LYS 19 2HG LYS 19 1.179 -4.830 4.019 168 1HD LYS 19 1HD LYS 19 -0.771 -5.133 5.194 169 2HD LYS 19 2HD LYS 19 -1.797 -4.690 3.809 170 1HE LYS 19 1HE LYS 19 -2.021 -6.843 3.168 171 2HE LYS 19 2HE LYS 19 -0.275 -7.140 3.307 172 1HZ LYS 19 1HZ LYS 19 -2.368 -7.680 5.164 173 2HZ LYS 19 2HZ LYS 19 -0.887 -8.387 4.999 174 3HZ LYS 19 3HZ LYS 19 -1.039 -6.979 5.843 175 H MET 20 H MET 20 1.872 -5.280 1.341 176 HA MET 20 HA MET 20 3.661 -6.202 3.128 177 1HB MET 20 1HB MET 20 3.530 -7.734 1.465 178 2HB MET 20 2HB MET 20 3.313 -6.490 0.211 179 1HG MET 20 1HG MET 20 5.932 -6.116 1.110 180 2HG MET 20 2HG MET 20 5.740 -7.877 1.081 181 1HE MET 20 1HE MET 20 4.077 -5.139 -0.776 182 2HE MET 20 2HE MET 20 5.572 -4.577 -1.561 183 3HE MET 20 3HE MET 20 4.348 -5.459 -2.506 184 H ARG 21 H ARG 21 4.502 -3.939 0.458 185 HA ARG 21 HA ARG 21 7.178 -3.568 1.639 186 1HB ARG 21 1HB ARG 21 5.825 -2.778 -0.948 187 2HB ARG 21 2HB ARG 21 7.350 -2.013 -0.439 188 1HG ARG 21 1HG ARG 21 8.532 -4.064 -0.488 189 2HG ARG 21 2HG ARG 21 7.036 -5.028 -0.465 190 1HD ARG 21 1HD ARG 21 6.610 -3.617 -2.730 191 2HD ARG 21 2HD ARG 21 8.386 -3.635 -2.740 192 HE ARG 21 HE ARG 21 7.780 -6.249 -2.253 193 1HH1 ARG 21 2HH2 ARG 21 6.674 -3.896 -4.649 194 2HH1 ARG 21 1HH2 ARG 21 6.380 -5.094 -5.890 195 1HH2 ARG 21 2HH1 ARG 21 7.391 -7.831 -3.892 196 2HH2 ARG 21 1HH1 ARG 21 6.788 -7.337 -5.458 197 H ARG 22 H ARG 22 4.122 -1.823 1.037 198 HA ARG 22 HA ARG 22 5.034 0.746 1.851 199 1HB ARG 22 1HB ARG 22 2.940 1.285 1.243 200 2HB ARG 22 2HB ARG 22 2.644 -0.442 0.929 201 1HG ARG 22 1HG ARG 22 1.003 -0.115 2.508 202 2HG ARG 22 2HG ARG 22 2.357 -0.439 3.617 203 1HD ARG 22 1HD ARG 22 0.868 2.058 3.135 204 2HD ARG 22 2HD ARG 22 1.845 1.569 4.536 205 HE ARG 22 HE ARG 22 3.791 2.093 2.771 206 1HH1 ARG 22 2HH2 ARG 22 0.814 3.852 3.507 207 2HH1 ARG 22 1HH2 ARG 22 1.480 5.420 3.108 208 1HH2 ARG 22 2HH1 ARG 22 4.670 4.164 2.244 209 2HH2 ARG 22 1HH1 ARG 22 3.678 5.597 2.388 210 H ASN 23 H ASN 23 5.426 -1.884 3.602 211 HA ASN 23 HA ASN 23 4.891 -0.452 6.148 212 1HB ASN 23 1HB ASN 23 3.310 -2.524 5.317 213 2HB ASN 23 2HB ASN 23 4.576 -3.398 6.205 214 1HD2 ASN 23 1HD2 ASN 23 1.621 -1.821 6.495 215 2HD2 ASN 23 2HD2 ASN 23 1.647 -1.490 8.213 216 H GLN 24 H GLN 24 7.213 -1.266 4.187 217 HA GLN 24 HA GLN 24 9.176 -1.608 6.244 218 1HB GLN 24 1HB GLN 24 9.901 -3.906 5.069 219 2HB GLN 24 2HB GLN 24 8.800 -3.867 6.467 220 1HG GLN 24 1HG GLN 24 6.982 -4.460 5.217 221 2HG GLN 24 2HG GLN 24 7.510 -3.508 3.813 222 1HE2 GLN 24 1HE2 GLN 24 6.670 -6.503 4.486 223 2HE2 GLN 24 2HE2 GLN 24 7.836 -7.428 3.565 224 H PHE 25 H PHE 25 9.707 -3.382 3.295 225 HA PHE 25 HA PHE 25 11.913 -2.146 2.382 226 1HB PHE 25 1HB PHE 25 11.098 -3.967 1.143 227 2HB PHE 25 2HB PHE 25 9.520 -3.206 0.883 228 HD1 PHE 25 1HD PHE 25 9.706 -0.832 -0.408 229 HD2 PHE 25 2HD PHE 25 12.521 -4.067 -0.672 230 HE1 PHE 25 1HE PHE 25 10.478 0.019 -2.605 231 HE2 PHE 25 2HE PHE 25 13.293 -3.215 -2.870 232 HZ PHE 25 HZ PHE 25 12.272 -1.172 -3.836 233 H TRP 26 H TRP 26 8.570 -0.934 1.873 234 HA TRP 26 HA TRP 26 8.976 1.181 0.185 235 1HB TRP 26 1HB TRP 26 7.022 2.084 1.033 236 2HB TRP 26 2HB TRP 26 6.884 0.384 1.501 237 HD1 TRP 26 HD TRP 26 6.634 -0.158 3.992 238 HE1 TRP 26 1HE TRP 26 6.497 1.186 6.151 239 HE3 TRP 26 3HE TRP 26 8.040 4.420 2.184 240 HZ2 TRP 26 2HZ TRP 26 6.940 3.916 7.002 241 HZ3 TRP 26 3HZ TRP 26 8.170 6.365 3.697 242 HH2 TRP 26 HH TRP 26 7.624 6.131 6.102 243 H VAL 27 H VAL 27 9.724 1.073 3.692 244 HA VAL 27 HA VAL 27 10.388 3.652 4.261 245 HB VAL 27 HB VAL 27 11.993 2.782 5.851 246 1HG1 VAL 27 1HG1 VAL 27 10.205 1.963 6.952 247 2HG1 VAL 27 2HG1 VAL 27 9.373 1.636 5.413 248 3HG1 VAL 27 3HG1 VAL 27 10.447 0.407 6.122 249 1HG2 VAL 27 1HG2 VAL 27 12.038 0.434 3.937 250 2HG2 VAL 27 2HG2 VAL 27 13.405 1.373 4.582 251 3HG2 VAL 27 3HG2 VAL 27 12.526 0.241 5.638 252 H LYS 28 H LYS 28 12.409 1.320 2.423 253 HA LYS 28 HA LYS 28 14.623 3.078 2.075 254 1HB LYS 28 1HB LYS 28 13.597 0.605 0.677 255 2HB LYS 28 2HB LYS 28 14.995 1.497 0.031 256 1HG LYS 28 1HG LYS 28 14.850 0.695 2.952 257 2HG LYS 28 2HG LYS 28 15.459 -0.429 1.714 258 1HD LYS 28 1HD LYS 28 17.294 0.940 1.189 259 2HD LYS 28 2HD LYS 28 16.521 2.398 1.855 260 1HE LYS 28 1HE LYS 28 17.203 1.942 3.979 261 2HE LYS 28 2HE LYS 28 16.903 0.200 3.805 262 1HZ LYS 28 1HZ LYS 28 19.217 1.664 2.749 263 2HZ LYS 28 2HZ LYS 28 19.216 0.658 4.056 264 3HZ LYS 28 3HZ LYS 28 18.934 0.052 2.548 265 H VAL 29 H VAL 29 11.607 2.540 0.250 266 HA VAL 29 HA VAL 29 12.126 3.836 -2.125 267 HB VAL 29 HB VAL 29 9.646 3.986 -0.368 268 1HG1 VAL 29 1HG1 VAL 29 10.339 5.230 -2.943 269 2HG1 VAL 29 2HG1 VAL 29 8.892 4.199 -3.043 270 3HG1 VAL 29 3HG1 VAL 29 8.953 5.536 -1.869 271 1HG2 VAL 29 1HG2 VAL 29 8.874 2.113 -1.657 272 2HG2 VAL 29 2HG2 VAL 29 10.218 2.269 -2.813 273 3HG2 VAL 29 3HG2 VAL 29 10.534 1.717 -1.151 274 H GLN 30 H GLN 30 12.260 5.160 1.059 275 HA GLN 30 HA GLN 30 11.983 7.929 0.054 276 1HB GLN 30 1HB GLN 30 11.451 8.500 2.197 277 2HB GLN 30 2HB GLN 30 11.085 6.764 2.343 278 1HG GLN 30 1HG GLN 30 13.489 6.407 3.050 279 2HG GLN 30 2HG GLN 30 13.675 8.174 3.094 280 1HE2 GLN 30 1HE2 GLN 30 13.291 9.157 4.998 281 2HE2 GLN 30 2HE2 GLN 30 12.329 8.500 6.305 282 H ARG 31 H ARG 31 14.318 5.692 1.592 283 HA ARG 31 HA ARG 31 16.552 6.128 2.168 284 1HB ARG 31 1HB ARG 31 16.638 4.992 0.040 285 2HB ARG 31 2HB ARG 31 16.308 6.505 -0.839 286 1HG ARG 31 1HG ARG 31 18.702 6.029 -0.944 287 2HG ARG 31 2HG ARG 31 18.438 7.452 0.092 288 1HD ARG 31 1HD ARG 31 18.338 5.706 2.039 289 2HD ARG 31 2HD ARG 31 19.145 4.621 0.886 290 HE ARG 31 HE ARG 31 20.480 7.168 1.014 291 1HH1 ARG 31 2HH2 ARG 31 19.998 4.119 2.739 292 2HH1 ARG 31 1HH2 ARG 31 21.540 4.184 3.563 293 1HH2 ARG 31 2HH1 ARG 31 22.516 7.253 2.102 294 2HH2 ARG 31 1HH1 ARG 31 22.976 5.971 3.200 295 H GLY 32 H GLY 32 16.466 8.020 3.468 296 1HA GLY 32 1HA GLY 32 17.838 10.287 2.290 297 2HA GLY 32 2HA GLY 32 16.149 10.644 2.717 Start of MODEL 9 1 HA PRO 1 HA PRO 1 -17.988 0.038 1.030 2 1HB PRO 1 1HB PRO 1 -20.300 0.052 2.472 3 2HB PRO 1 2HB PRO 1 -19.890 -1.290 1.355 4 1HG PRO 1 1HG PRO 1 -19.419 -1.181 4.348 5 2HG PRO 1 2HG PRO 1 -20.246 -2.477 3.423 6 1HD PRO 1 1HD PRO 1 -17.608 -2.664 4.084 7 2HD PRO 1 2HD PRO 1 -18.183 -3.211 2.479 8 HA PRO 2 HA PRO 2 -16.442 2.667 4.542 9 1HB PRO 2 1HB PRO 2 -14.679 4.158 3.095 10 2HB PRO 2 2HB PRO 2 -14.278 2.502 3.658 11 1HG PRO 2 1HG PRO 2 -15.359 3.308 0.943 12 2HG PRO 2 2HG PRO 2 -13.912 2.304 1.284 13 1HD PRO 2 1HD PRO 2 -16.329 1.173 0.731 14 2HD PRO 2 2HD PRO 2 -15.268 0.474 1.992 15 H LEU 3 H LEU 3 -15.970 5.336 3.927 16 HA LEU 3 HA LEU 3 -18.675 6.220 3.285 17 1HB LEU 3 1HB LEU 3 -16.359 7.215 4.711 18 2HB LEU 3 2HB LEU 3 -16.926 8.432 3.542 19 HG LEU 3 HG LEU 3 -19.316 7.727 4.491 20 1HD1 LEU 3 1HD1 LEU 3 -18.861 7.456 7.081 21 2HD1 LEU 3 2HD1 LEU 3 -18.832 6.027 6.021 22 3HD1 LEU 3 3HD1 LEU 3 -17.306 6.784 6.536 23 1HD2 LEU 3 1HD2 LEU 3 -17.381 9.785 5.047 24 2HD2 LEU 3 2HD2 LEU 3 -19.156 9.884 5.121 25 3HD2 LEU 3 3HD2 LEU 3 -18.232 9.384 6.558 26 H SER 4 H SER 4 -16.201 5.224 1.383 27 HA SER 4 HA SER 4 -16.983 7.120 -0.771 28 1HB SER 4 1HB SER 4 -14.169 6.039 -0.428 29 2HB SER 4 2HB SER 4 -14.729 7.348 -1.497 30 HG SER 4 HG SER 4 -15.468 8.198 0.756 31 H GLN 5 H GLN 5 -14.968 5.659 -2.498 32 HA GLN 5 HA GLN 5 -15.402 2.921 -2.643 33 1HB GLN 5 1HB GLN 5 -17.224 2.886 -4.444 34 2HB GLN 5 2HB GLN 5 -17.766 3.199 -2.778 35 1HG GLN 5 1HG GLN 5 -17.629 5.668 -3.279 36 2HG GLN 5 2HG GLN 5 -17.293 5.252 -4.974 37 1HE2 GLN 5 1HE2 GLN 5 -18.961 4.677 -6.331 38 2HE2 GLN 5 2HE2 GLN 5 -20.635 4.578 -5.830 39 H GLU 6 H GLU 6 -15.543 5.915 -4.630 40 HA GLU 6 HA GLU 6 -14.643 5.227 -7.048 41 1HB GLU 6 1HB GLU 6 -12.894 7.239 -6.636 42 2HB GLU 6 2HB GLU 6 -14.644 7.505 -6.816 43 1HG GLU 6 1HG GLU 6 -14.934 7.996 -4.600 44 2HG GLU 6 2HG GLU 6 -13.708 6.823 -4.073 45 H THR 7 H THR 7 -12.153 5.945 -4.538 46 HA THR 7 HA THR 7 -10.287 4.180 -5.967 47 HB THR 7 HB THR 7 -9.186 5.202 -3.538 48 HG1 THR 7 1HG THR 7 -10.528 7.158 -5.096 49 1HG2 THR 7 1HG2 THR 7 -8.633 6.714 -6.001 50 2HG2 THR 7 2HG2 THR 7 -7.537 5.732 -5.000 51 3HG2 THR 7 3HG2 THR 7 -8.550 4.952 -6.239 52 H PHE 8 H PHE 8 -10.142 4.518 -2.476 53 HA PHE 8 HA PHE 8 -9.561 2.511 -1.222 54 1HB PHE 8 1HB PHE 8 -12.571 2.542 -1.194 55 2HB PHE 8 2HB PHE 8 -11.441 2.330 0.154 56 HD1 PHE 8 1HD PHE 8 -11.819 4.958 -2.512 57 HD2 PHE 8 2HD PHE 8 -11.671 4.049 1.683 58 HE1 PHE 8 1HE PHE 8 -11.996 7.374 -1.982 59 HE2 PHE 8 2HE PHE 8 -11.848 6.465 2.213 60 HZ PHE 8 HZ PHE 8 -12.011 8.128 0.380 61 H SER 9 H SER 9 -12.515 1.870 -3.206 62 HA SER 9 HA SER 9 -12.749 -0.797 -3.128 63 1HB SER 9 1HB SER 9 -13.988 0.769 -4.650 64 2HB SER 9 2HB SER 9 -12.591 0.732 -5.753 65 HG SER 9 HG SER 9 -14.384 -0.834 -6.102 66 H ASP 10 H ASP 10 -10.419 0.794 -5.386 67 HA ASP 10 HA ASP 10 -9.008 -1.788 -5.647 68 1HB ASP 10 1HB ASP 10 -9.232 0.744 -7.198 69 2HB ASP 10 2HB ASP 10 -7.649 -0.064 -7.239 70 H LEU 11 H LEU 11 -8.742 1.395 -4.170 71 HA LEU 11 HA LEU 11 -5.910 1.346 -3.729 72 1HB LEU 11 1HB LEU 11 -8.260 2.851 -2.573 73 2HB LEU 11 2HB LEU 11 -6.642 3.009 -1.850 74 HG LEU 11 HG LEU 11 -7.226 4.717 -3.668 75 1HD1 LEU 11 1HD1 LEU 11 -4.994 4.821 -4.347 76 2HD1 LEU 11 2HD1 LEU 11 -4.868 3.790 -2.902 77 3HD1 LEU 11 3HD1 LEU 11 -4.858 3.055 -4.523 78 1HD2 LEU 11 1HD2 LEU 11 -6.969 2.189 -5.348 79 2HD2 LEU 11 2HD2 LEU 11 -8.388 3.256 -5.223 80 3HD2 LEU 11 3HD2 LEU 11 -6.903 3.839 -6.013 81 H TRP 12 H TRP 12 -8.532 1.059 -1.264 82 HA TRP 12 HA TRP 12 -6.997 0.021 0.787 83 1HB TRP 12 1HB TRP 12 -8.990 0.007 1.773 84 2HB TRP 12 2HB TRP 12 -9.721 0.402 0.211 85 HD1 TRP 12 HD TRP 12 -11.576 -1.152 -0.445 86 HE1 TRP 12 1HE TRP 12 -12.256 -3.567 -0.012 87 HE3 TRP 12 3HE TRP 12 -7.602 -2.604 2.435 88 HZ2 TRP 12 2HZ TRP 12 -11.210 -5.860 1.411 89 HZ3 TRP 12 3HZ TRP 12 -7.479 -4.908 3.310 90 HH2 TRP 12 HH TRP 12 -9.270 -6.544 2.809 91 H LYS 13 H LYS 13 -8.444 -1.697 -1.991 92 HA LYS 13 HA LYS 13 -7.730 -4.320 -1.049 93 1HB LYS 13 1HB LYS 13 -9.500 -3.623 -2.802 94 2HB LYS 13 2HB LYS 13 -8.136 -3.523 -3.942 95 1HG LYS 13 1HG LYS 13 -7.608 -5.833 -3.671 96 2HG LYS 13 2HG LYS 13 -8.625 -5.976 -2.218 97 1HD LYS 13 1HD LYS 13 -10.622 -5.929 -3.454 98 2HD LYS 13 2HD LYS 13 -9.850 -5.148 -4.855 99 1HE LYS 13 1HE LYS 13 -8.861 -7.136 -5.588 100 2HE LYS 13 2HE LYS 13 -8.934 -7.885 -3.978 101 1HZ LYS 13 1HZ LYS 13 -11.019 -8.534 -4.309 102 2HZ LYS 13 2HZ LYS 13 -11.449 -7.212 -5.197 103 3HZ LYS 13 3HZ LYS 13 -10.609 -8.443 -5.904 104 H LEU 14 H LEU 14 -6.168 -1.837 -3.072 105 HA LEU 14 HA LEU 14 -4.068 -3.438 -4.094 106 1HB LEU 14 1HB LEU 14 -4.722 -0.577 -3.816 107 2HB LEU 14 2HB LEU 14 -2.975 -0.917 -3.786 108 HG LEU 14 HG LEU 14 -4.436 -0.654 -6.083 109 1HD1 LEU 14 1HD1 LEU 14 -2.315 -0.861 -6.815 110 2HD1 LEU 14 2HD1 LEU 14 -1.844 -1.604 -5.268 111 3HD1 LEU 14 3HD1 LEU 14 -2.425 -2.625 -6.605 112 1HD2 LEU 14 1HD2 LEU 14 -5.406 -3.025 -5.086 113 2HD2 LEU 14 2HD2 LEU 14 -5.365 -2.604 -6.815 114 3HD2 LEU 14 3HD2 LEU 14 -4.068 -3.598 -6.110 115 H LEU 15 H LEU 15 -4.375 -1.536 -1.067 116 HA LEU 15 HA LEU 15 -1.694 -2.090 -0.187 117 1HB LEU 15 1HB LEU 15 -3.926 -0.522 0.641 118 2HB LEU 15 2HB LEU 15 -3.495 -1.585 2.002 119 HG LEU 15 HG LEU 15 -1.011 -0.823 1.200 120 1HD1 LEU 15 1HD1 LEU 15 -2.850 0.960 -0.135 121 2HD1 LEU 15 2HD1 LEU 15 -1.927 1.875 1.081 122 3HD1 LEU 15 3HD1 LEU 15 -1.071 0.957 -0.180 123 1HD2 LEU 15 1HD2 LEU 15 -2.953 -0.021 3.253 124 2HD2 LEU 15 2HD2 LEU 15 -1.211 -0.351 3.406 125 3HD2 LEU 15 3HD2 LEU 15 -1.771 1.260 2.897 126 H LYS 16 H LYS 16 -4.406 -4.065 -0.562 127 HA LYS 16 HA LYS 16 -4.095 -5.686 1.816 128 1HB LYS 16 1HB LYS 16 -6.047 -5.356 -0.091 129 2HB LYS 16 2HB LYS 16 -5.324 -6.907 -0.582 130 1HG LYS 16 1HG LYS 16 -5.507 -7.623 1.864 131 2HG LYS 16 2HG LYS 16 -6.501 -6.169 2.125 132 1HD LYS 16 1HD LYS 16 -8.309 -7.174 1.224 133 2HD LYS 16 2HD LYS 16 -7.396 -7.605 -0.241 134 1HE LYS 16 1HE LYS 16 -6.650 -9.650 0.683 135 2HE LYS 16 2HE LYS 16 -7.037 -9.144 2.342 136 1HZ LYS 16 1HZ LYS 16 -8.836 -10.023 0.229 137 2HZ LYS 16 2HZ LYS 16 -8.734 -10.533 1.794 138 3HZ LYS 16 3HZ LYS 16 -9.398 -9.064 1.447 139 H LYS 17 H LYS 17 -1.846 -5.107 -0.348 140 HA LYS 17 HA LYS 17 -0.552 -7.664 0.011 141 1HB LYS 17 1HB LYS 17 -1.465 -8.636 -1.825 142 2HB LYS 17 2HB LYS 17 -2.019 -7.082 -2.494 143 1HG LYS 17 1HG LYS 17 0.888 -7.989 -2.488 144 2HG LYS 17 2HG LYS 17 -0.219 -8.215 -3.863 145 1HD LYS 17 1HD LYS 17 -0.543 -5.522 -3.146 146 2HD LYS 17 2HD LYS 17 1.207 -5.809 -2.996 147 1HE LYS 17 1HE LYS 17 0.686 -5.122 -5.284 148 2HE LYS 17 2HE LYS 17 1.205 -6.822 -5.275 149 1HZ LYS 17 1HZ LYS 17 -0.687 -7.338 -6.194 150 2HZ LYS 17 2HZ LYS 17 -1.535 -6.729 -4.917 151 3HZ LYS 17 3HZ LYS 17 -1.170 -5.761 -6.202 152 H TRP 18 H TRP 18 -0.741 -4.504 -1.636 153 HA TRP 18 HA TRP 18 2.089 -4.378 -2.192 154 1HB TRP 18 1HB TRP 18 -0.064 -3.079 -3.130 155 2HB TRP 18 2HB TRP 18 0.432 -1.916 -1.892 156 HD1 TRP 18 HD TRP 18 0.956 -2.711 -5.396 157 HE1 TRP 18 1HE TRP 18 2.997 -1.541 -6.372 158 HE3 TRP 18 3HE TRP 18 3.202 -1.236 -1.039 159 HZ2 TRP 18 2HZ TRP 18 5.328 -0.134 -5.391 160 HZ3 TRP 18 3HZ TRP 18 5.328 0.015 -1.100 161 HH2 TRP 18 HH TRP 18 6.402 0.572 -3.262 162 H LYS 19 H LYS 19 -0.076 -3.107 0.371 163 HA LYS 19 HA LYS 19 1.473 -1.417 1.793 164 1HB LYS 19 1HB LYS 19 -0.753 -2.243 2.500 165 2HB LYS 19 2HB LYS 19 -0.018 -3.792 2.978 166 1HG LYS 19 1HG LYS 19 1.295 -2.746 4.691 167 2HG LYS 19 2HG LYS 19 0.920 -1.117 4.079 168 1HD LYS 19 1HD LYS 19 -0.604 -1.250 5.825 169 2HD LYS 19 2HD LYS 19 -1.590 -1.920 4.503 170 1HE LYS 19 1HE LYS 19 -0.171 -4.129 5.434 171 2HE LYS 19 2HE LYS 19 -0.544 -3.228 6.919 172 1HZ LYS 19 1HZ LYS 19 -2.222 -4.880 6.029 173 2HZ LYS 19 2HZ LYS 19 -2.770 -3.408 6.532 174 3HZ LYS 19 3HZ LYS 19 -2.606 -3.720 4.921 175 H MET 20 H MET 20 1.888 -4.978 1.700 176 HA MET 20 HA MET 20 3.703 -5.534 3.599 177 1HB MET 20 1HB MET 20 3.508 -7.358 2.259 178 2HB MET 20 2HB MET 20 3.353 -6.378 0.782 179 1HG MET 20 1HG MET 20 5.974 -5.929 1.693 180 2HG MET 20 2HG MET 20 5.706 -7.664 1.924 181 1HE MET 20 1HE MET 20 5.570 -4.940 -1.506 182 2HE MET 20 2HE MET 20 4.139 -5.944 -1.842 183 3HE MET 20 3HE MET 20 4.296 -5.113 -0.275 184 H ARG 21 H ARG 21 4.379 -3.622 0.653 185 HA ARG 21 HA ARG 21 7.109 -3.085 1.694 186 1HB ARG 21 1HB ARG 21 5.803 -3.057 -1.012 187 2HB ARG 21 2HB ARG 21 7.185 -1.975 -0.717 188 1HG ARG 21 1HG ARG 21 8.351 -4.081 0.272 189 2HG ARG 21 2HG ARG 21 7.078 -5.000 -0.567 190 1HD ARG 21 1HD ARG 21 8.856 -2.935 -1.922 191 2HD ARG 21 2HD ARG 21 9.202 -4.678 -1.908 192 HE ARG 21 HE ARG 21 6.546 -4.295 -2.836 193 1HH1 ARG 21 2HH2 ARG 21 9.897 -3.684 -3.785 194 2HH1 ARG 21 1HH2 ARG 21 9.570 -3.772 -5.502 195 1HH2 ARG 21 2HH1 ARG 21 6.115 -4.411 -5.103 196 2HH2 ARG 21 1HH1 ARG 21 7.414 -4.187 -6.253 197 H ARG 22 H ARG 22 4.096 -1.524 0.540 198 HA ARG 22 HA ARG 22 5.043 1.155 0.970 199 1HB ARG 22 1HB ARG 22 3.150 0.458 -0.545 200 2HB ARG 22 2HB ARG 22 2.178 0.139 0.911 201 1HG ARG 22 1HG ARG 22 1.578 2.325 0.770 202 2HG ARG 22 2HG ARG 22 3.202 2.665 1.415 203 1HD ARG 22 1HD ARG 22 2.299 2.634 -1.484 204 2HD ARG 22 2HD ARG 22 2.997 3.986 -0.567 205 HE ARG 22 HE ARG 22 4.782 1.707 -0.715 206 1HH1 ARG 22 2HH2 ARG 22 3.568 4.557 -2.419 207 2HH1 ARG 22 1HH2 ARG 22 5.000 4.747 -3.405 208 1HH2 ARG 22 2HH1 ARG 22 6.674 1.958 -2.019 209 2HH2 ARG 22 1HH1 ARG 22 6.771 3.265 -3.177 210 H ASN 23 H ASN 23 5.170 -0.995 3.207 211 HA ASN 23 HA ASN 23 4.195 0.837 5.314 212 1HB ASN 23 1HB ASN 23 2.737 -1.400 4.589 213 2HB ASN 23 2HB ASN 23 3.744 -2.008 5.921 214 1HD2 ASN 23 1HD2 ASN 23 1.631 0.769 5.015 215 2HD2 ASN 23 2HD2 ASN 23 0.982 1.022 6.621 216 H GLN 24 H GLN 24 6.768 -0.409 3.958 217 HA GLN 24 HA GLN 24 8.343 -0.367 6.355 218 1HB GLN 24 1HB GLN 24 7.591 -3.029 5.139 219 2HB GLN 24 2HB GLN 24 9.164 -2.810 5.943 220 1HG GLN 24 1HG GLN 24 7.525 -1.652 7.779 221 2HG GLN 24 2HG GLN 24 6.415 -2.859 7.094 222 1HE2 GLN 24 1HE2 GLN 24 6.589 -4.963 7.725 223 2HE2 GLN 24 2HE2 GLN 24 7.887 -5.601 8.712 224 H PHE 25 H PHE 25 9.274 -2.679 3.923 225 HA PHE 25 HA PHE 25 11.659 -1.691 3.192 226 1HB PHE 25 1HB PHE 25 10.924 -3.689 2.179 227 2HB PHE 25 2HB PHE 25 9.487 -2.915 1.488 228 HD1 PHE 25 1HD PHE 25 10.109 -0.830 -0.131 229 HD2 PHE 25 2HD PHE 25 12.632 -4.202 0.714 230 HE1 PHE 25 1HE PHE 25 11.336 -0.444 -2.251 231 HE2 PHE 25 2HE PHE 25 13.859 -3.816 -1.406 232 HZ PHE 25 HZ PHE 25 13.211 -1.937 -2.889 233 H TRP 26 H TRP 26 8.537 -0.546 1.813 234 HA TRP 26 HA TRP 26 9.376 1.242 -0.076 235 1HB TRP 26 1HB TRP 26 7.338 2.316 0.190 236 2HB TRP 26 2HB TRP 26 7.024 0.711 0.866 237 HD1 TRP 26 HD TRP 26 6.214 0.573 3.288 238 HE1 TRP 26 1HE TRP 26 5.700 2.237 5.146 239 HE3 TRP 26 3HE TRP 26 8.232 4.780 1.184 240 HZ2 TRP 26 2HZ TRP 26 6.109 5.055 5.667 241 HZ3 TRP 26 3HZ TRP 26 8.151 6.932 2.389 242 HH2 TRP 26 HH TRP 26 7.096 7.086 4.625 243 H VAL 27 H VAL 27 9.383 1.742 3.476 244 HA VAL 27 HA VAL 27 10.039 4.377 3.721 245 HB VAL 27 HB VAL 27 11.230 3.786 5.744 246 1HG1 VAL 27 1HG1 VAL 27 9.549 1.522 6.097 247 2HG1 VAL 27 2HG1 VAL 27 9.204 3.209 6.548 248 3HG1 VAL 27 3HG1 VAL 27 8.708 2.595 4.953 249 1HG2 VAL 27 1HG2 VAL 27 11.626 1.207 6.064 250 2HG2 VAL 27 2HG2 VAL 27 11.595 1.163 4.285 251 3HG2 VAL 27 3HG2 VAL 27 12.806 2.158 5.130 252 H LYS 28 H LYS 28 12.279 1.726 2.791 253 HA LYS 28 HA LYS 28 14.604 3.363 2.630 254 1HB LYS 28 1HB LYS 28 13.775 0.709 1.430 255 2HB LYS 28 2HB LYS 28 15.349 1.450 1.052 256 1HG LYS 28 1HG LYS 28 16.148 0.597 2.981 257 2HG LYS 28 2HG LYS 28 15.035 1.669 3.863 258 1HD LYS 28 1HD LYS 28 13.241 -0.159 3.378 259 2HD LYS 28 2HD LYS 28 14.630 -1.214 3.023 260 1HE LYS 28 1HE LYS 28 15.138 0.255 5.459 261 2HE LYS 28 2HE LYS 28 13.551 -0.538 5.572 262 1HZ LYS 28 1HZ LYS 28 14.784 -2.545 4.715 263 2HZ LYS 28 2HZ LYS 28 16.168 -1.751 5.135 264 3HZ LYS 28 3HZ LYS 28 15.039 -2.105 6.284 265 H VAL 29 H VAL 29 12.002 2.569 0.327 266 HA VAL 29 HA VAL 29 13.072 3.409 -2.070 267 HB VAL 29 HB VAL 29 10.296 3.915 -0.931 268 1HG1 VAL 29 1HG1 VAL 29 11.278 3.952 -3.818 269 2HG1 VAL 29 2HG1 VAL 29 9.597 4.172 -3.275 270 3HG1 VAL 29 3HG1 VAL 29 10.831 5.390 -2.870 271 1HG2 VAL 29 1HG2 VAL 29 11.198 1.527 -1.110 272 2HG2 VAL 29 2HG2 VAL 29 9.701 1.857 -2.015 273 3HG2 VAL 29 3HG2 VAL 29 11.260 1.780 -2.870 274 H GLN 30 H GLN 30 12.630 5.273 0.798 275 HA GLN 30 HA GLN 30 12.724 7.825 -0.702 276 1HB GLN 30 1HB GLN 30 11.791 8.784 1.146 277 2HB GLN 30 2HB GLN 30 11.289 7.112 1.493 278 1HG GLN 30 1HG GLN 30 13.470 6.825 2.757 279 2HG GLN 30 2HG GLN 30 13.734 8.572 2.564 280 1HE2 GLN 30 1HE2 GLN 30 11.143 6.277 3.606 281 2HE2 GLN 30 2HE2 GLN 30 10.603 7.239 4.966 282 H ARG 31 H ARG 31 14.551 5.839 1.649 283 HA ARG 31 HA ARG 31 16.631 6.330 2.626 284 1HB ARG 31 1HB ARG 31 17.138 4.832 0.825 285 2HB ARG 31 2HB ARG 31 17.015 6.135 -0.381 286 1HG ARG 31 1HG ARG 31 19.137 6.834 0.006 287 2HG ARG 31 2HG ARG 31 18.931 6.739 1.772 288 1HD ARG 31 1HD ARG 31 18.902 4.065 0.822 289 2HD ARG 31 2HD ARG 31 20.241 4.874 -0.020 290 HE ARG 31 HE ARG 31 20.447 5.626 2.668 291 1HH1 ARG 31 2HH2 ARG 31 20.499 2.653 0.755 292 2HH1 ARG 31 1HH2 ARG 31 21.566 1.805 1.852 293 1HH2 ARG 31 2HH1 ARG 31 21.855 4.505 4.117 294 2HH2 ARG 31 1HH1 ARG 31 22.339 2.860 3.768 295 H GLY 32 H GLY 32 17.601 7.981 -0.319 296 1HA GLY 32 1HA GLY 32 17.915 10.474 1.283 297 2HA GLY 32 2HA GLY 32 18.941 9.990 -0.087 Start of MODEL 10 1 HA PRO 1 HA PRO 1 -21.264 9.341 -1.671 2 1HB PRO 1 1HB PRO 1 -22.672 9.724 0.630 3 2HB PRO 1 2HB PRO 1 -22.537 11.004 -0.620 4 1HG PRO 1 1HG PRO 1 -24.794 9.011 -0.267 5 2HG PRO 1 2HG PRO 1 -24.929 10.795 -0.403 6 1HD PRO 1 1HD PRO 1 -25.256 9.176 -2.571 7 2HD PRO 1 2HD PRO 1 -24.375 10.726 -2.721 8 HA PRO 2 HA PRO 2 -22.256 4.873 -0.908 9 1HB PRO 2 1HB PRO 2 -19.948 3.848 -1.930 10 2HB PRO 2 2HB PRO 2 -21.301 4.370 -2.987 11 1HG PRO 2 1HG PRO 2 -18.847 5.975 -2.214 12 2HG PRO 2 2HG PRO 2 -19.472 5.671 -3.868 13 1HD PRO 2 1HD PRO 2 -20.088 7.954 -2.512 14 2HD PRO 2 2HD PRO 2 -21.326 7.126 -3.505 15 H LEU 3 H LEU 3 -20.278 7.303 0.243 16 HA LEU 3 HA LEU 3 -18.790 7.495 1.986 17 1HB LEU 3 1HB LEU 3 -21.154 6.431 2.858 18 2HB LEU 3 2HB LEU 3 -19.996 5.215 3.449 19 HG LEU 3 HG LEU 3 -19.160 8.039 3.839 20 1HD1 LEU 3 1HD1 LEU 3 -21.285 6.924 5.684 21 2HD1 LEU 3 2HD1 LEU 3 -20.712 8.601 5.521 22 3HD1 LEU 3 3HD1 LEU 3 -21.738 7.883 4.255 23 1HD2 LEU 3 1HD2 LEU 3 -17.855 6.971 5.333 24 2HD2 LEU 3 2HD2 LEU 3 -19.293 6.387 6.206 25 3HD2 LEU 3 3HD2 LEU 3 -18.618 5.434 4.863 26 H SER 4 H SER 4 -18.181 5.479 -0.203 27 HA SER 4 HA SER 4 -15.711 4.634 0.408 28 1HB SER 4 1HB SER 4 -16.176 2.196 1.241 29 2HB SER 4 2HB SER 4 -16.177 3.530 2.419 30 HG SER 4 HG SER 4 -18.584 3.028 1.150 31 H GLN 5 H GLN 5 -15.132 4.230 -1.639 32 HA GLN 5 HA GLN 5 -15.818 1.948 -3.066 33 1HB GLN 5 1HB GLN 5 -18.054 2.491 -3.401 34 2HB GLN 5 2HB GLN 5 -17.729 4.240 -3.465 35 1HG GLN 5 1HG GLN 5 -16.701 4.031 -5.652 36 2HG GLN 5 2HG GLN 5 -16.788 2.258 -5.573 37 1HE2 GLN 5 1HE2 GLN 5 -17.909 2.758 -7.738 38 2HE2 GLN 5 2HE2 GLN 5 -19.645 2.981 -7.680 39 H GLU 6 H GLU 6 -15.568 5.497 -3.702 40 HA GLU 6 HA GLU 6 -14.239 5.594 -6.050 41 1HB GLU 6 1HB GLU 6 -14.615 7.324 -3.929 42 2HB GLU 6 2HB GLU 6 -12.842 7.180 -3.994 43 1HG GLU 6 1HG GLU 6 -13.504 7.383 -6.666 44 2HG GLU 6 2HG GLU 6 -14.715 8.438 -5.906 45 H THR 7 H THR 7 -12.428 5.309 -2.933 46 HA THR 7 HA THR 7 -10.115 4.276 -4.421 47 HB THR 7 HB THR 7 -9.827 4.215 -1.545 48 HG1 THR 7 1HG THR 7 -10.597 6.111 -0.998 49 1HG2 THR 7 1HG2 THR 7 -8.019 4.491 -3.217 50 2HG2 THR 7 2HG2 THR 7 -8.716 6.053 -3.709 51 3HG2 THR 7 3HG2 THR 7 -8.049 5.853 -2.071 52 H PHE 8 H PHE 8 -10.816 3.127 -1.183 53 HA PHE 8 HA PHE 8 -10.381 0.789 -0.715 54 1HB PHE 8 1HB PHE 8 -13.277 0.827 -1.554 55 2HB PHE 8 2HB PHE 8 -12.530 0.028 -0.160 56 HD1 PHE 8 1HD PHE 8 -12.503 3.560 -1.460 57 HD2 PHE 8 2HD PHE 8 -13.316 0.914 1.825 58 HE1 PHE 8 1HE PHE 8 -13.080 5.506 -0.035 59 HE2 PHE 8 2HE PHE 8 -13.893 2.860 3.250 60 HZ PHE 8 HZ PHE 8 -13.775 5.156 2.320 61 H SER 9 H SER 9 -12.648 0.974 -3.524 62 HA SER 9 HA SER 9 -12.515 -1.490 -4.574 63 1HB SER 9 1HB SER 9 -13.580 0.533 -5.618 64 2HB SER 9 2HB SER 9 -11.976 0.999 -6.236 65 HG SER 9 HG SER 9 -12.157 -1.445 -6.931 66 H ASP 10 H ASP 10 -10.003 0.979 -5.386 67 HA ASP 10 HA ASP 10 -8.152 -1.284 -5.950 68 1HB ASP 10 1HB ASP 10 -8.585 1.430 -7.117 69 2HB ASP 10 2HB ASP 10 -6.908 0.852 -7.018 70 H LEU 11 H LEU 11 -8.944 1.110 -3.677 71 HA LEU 11 HA LEU 11 -6.279 1.838 -2.848 72 1HB LEU 11 1HB LEU 11 -8.569 3.028 -2.438 73 2HB LEU 11 2HB LEU 11 -8.721 1.899 -1.071 74 HG LEU 11 HG LEU 11 -7.101 4.302 -1.294 75 1HD1 LEU 11 1HD1 LEU 11 -6.935 3.986 1.124 76 2HD1 LEU 11 2HD1 LEU 11 -8.591 3.602 0.598 77 3HD1 LEU 11 3HD1 LEU 11 -7.448 2.289 0.968 78 1HD2 LEU 11 1HD2 LEU 11 -5.027 3.263 -0.275 79 2HD2 LEU 11 2HD2 LEU 11 -5.673 1.670 -0.738 80 3HD2 LEU 11 3HD2 LEU 11 -5.277 2.869 -1.993 81 H TRP 12 H TRP 12 -8.731 0.149 -0.837 82 HA TRP 12 HA TRP 12 -6.930 -1.075 0.887 83 1HB TRP 12 1HB TRP 12 -8.736 -2.239 1.680 84 2HB TRP 12 2HB TRP 12 -9.558 -0.944 0.800 85 HD1 TRP 12 HD TRP 12 -11.422 -1.712 -0.698 86 HE1 TRP 12 1HE TRP 12 -12.130 -3.859 -1.872 87 HE3 TRP 12 3HE TRP 12 -7.424 -4.660 0.534 88 HZ2 TRP 12 2HZ TRP 12 -11.094 -6.537 -2.237 89 HZ3 TRP 12 3HZ TRP 12 -7.320 -7.000 -0.244 90 HH2 TRP 12 HH TRP 12 -9.142 -7.951 -1.626 91 H LYS 13 H LYS 13 -8.194 -2.263 -2.253 92 HA LYS 13 HA LYS 13 -7.023 -4.829 -2.169 93 1HB LYS 13 1HB LYS 13 -8.611 -3.426 -3.913 94 2HB LYS 13 2HB LYS 13 -7.072 -3.481 -4.804 95 1HG LYS 13 1HG LYS 13 -7.950 -6.011 -3.471 96 2HG LYS 13 2HG LYS 13 -8.882 -5.489 -4.895 97 1HD LYS 13 1HD LYS 13 -7.094 -5.752 -6.334 98 2HD LYS 13 2HD LYS 13 -5.891 -5.375 -5.078 99 1HE LYS 13 1HE LYS 13 -5.563 -7.661 -5.294 100 2HE LYS 13 2HE LYS 13 -6.785 -7.631 -4.004 101 1HZ LYS 13 1HZ LYS 13 -8.334 -8.433 -5.369 102 2HZ LYS 13 2HZ LYS 13 -7.746 -7.690 -6.719 103 3HZ LYS 13 3HZ LYS 13 -7.033 -9.068 -6.159 104 H LEU 14 H LEU 14 -5.700 -1.641 -3.032 105 HA LEU 14 HA LEU 14 -3.255 -2.644 -4.154 106 1HB LEU 14 1HB LEU 14 -4.372 -0.017 -3.272 107 2HB LEU 14 2HB LEU 14 -2.599 -0.152 -3.363 108 HG LEU 14 HG LEU 14 -4.270 0.393 -5.505 109 1HD1 LEU 14 1HD1 LEU 14 -1.630 0.383 -5.052 110 2HD1 LEU 14 2HD1 LEU 14 -1.721 -1.115 -6.011 111 3HD1 LEU 14 3HD1 LEU 14 -2.289 0.423 -6.705 112 1HD2 LEU 14 1HD2 LEU 14 -4.721 -1.502 -6.741 113 2HD2 LEU 14 2HD2 LEU 14 -3.325 -2.391 -6.085 114 3HD2 LEU 14 3HD2 LEU 14 -4.807 -2.217 -5.114 115 H LEU 15 H LEU 15 -4.336 -1.719 -0.886 116 HA LEU 15 HA LEU 15 -1.759 -1.762 0.335 117 1HB LEU 15 1HB LEU 15 -4.608 -1.746 1.183 118 2HB LEU 15 2HB LEU 15 -3.457 -2.430 2.356 119 HG LEU 15 HG LEU 15 -2.217 -0.428 2.494 120 1HD1 LEU 15 1HD1 LEU 15 -1.704 0.614 0.559 121 2HD1 LEU 15 2HD1 LEU 15 -3.063 -0.173 -0.277 122 3HD1 LEU 15 3HD1 LEU 15 -3.321 1.357 0.595 123 1HD2 LEU 15 1HD2 LEU 15 -4.531 1.230 2.067 124 2HD2 LEU 15 2HD2 LEU 15 -5.067 -0.327 2.744 125 3HD2 LEU 15 3HD2 LEU 15 -3.853 0.648 3.607 126 H LYS 16 H LYS 16 -3.657 -4.242 -1.038 127 HA LYS 16 HA LYS 16 -2.922 -6.368 0.779 128 1HB LYS 16 1HB LYS 16 -4.729 -6.016 -1.321 129 2HB LYS 16 2HB LYS 16 -3.536 -7.167 -1.970 130 1HG LYS 16 1HG LYS 16 -3.790 -8.362 0.344 131 2HG LYS 16 2HG LYS 16 -5.298 -7.428 0.477 132 1HD LYS 16 1HD LYS 16 -5.757 -8.326 -1.950 133 2HD LYS 16 2HD LYS 16 -4.543 -9.558 -1.530 134 1HE LYS 16 1HE LYS 16 -5.830 -10.340 0.321 135 2HE LYS 16 2HE LYS 16 -6.896 -8.919 0.277 136 1HZ LYS 16 1HZ LYS 16 -6.941 -11.297 -1.329 137 2HZ LYS 16 2HZ LYS 16 -8.179 -10.327 -0.832 138 3HZ LYS 16 3HZ LYS 16 -7.260 -9.890 -2.130 139 H LYS 17 H LYS 17 -0.900 -4.471 -0.769 140 HA LYS 17 HA LYS 17 1.163 -6.477 -0.964 141 1HB LYS 17 1HB LYS 17 0.734 -7.075 -3.107 142 2HB LYS 17 2HB LYS 17 -0.325 -5.672 -3.386 143 1HG LYS 17 1HG LYS 17 2.714 -5.511 -3.247 144 2HG LYS 17 2HG LYS 17 1.794 -5.654 -4.764 145 1HD LYS 17 1HD LYS 17 0.514 -3.585 -3.361 146 2HD LYS 17 2HD LYS 17 2.249 -3.305 -3.080 147 1HE LYS 17 1HE LYS 17 1.091 -3.874 -5.831 148 2HE LYS 17 2HE LYS 17 1.267 -2.229 -5.183 149 1HZ LYS 17 1HZ LYS 17 3.228 -3.960 -6.248 150 2HZ LYS 17 2HZ LYS 17 3.289 -2.333 -5.981 151 3HZ LYS 17 3HZ LYS 17 3.664 -3.383 -4.766 152 H TRP 18 H TRP 18 -0.020 -3.190 -1.694 153 HA TRP 18 HA TRP 18 2.627 -2.032 -1.780 154 1HB TRP 18 1HB TRP 18 0.197 -1.255 -2.642 155 2HB TRP 18 2HB TRP 18 0.234 -0.396 -1.096 156 HD1 TRP 18 HD TRP 18 1.236 -0.056 -4.602 157 HE1 TRP 18 1HE TRP 18 2.783 1.934 -4.971 158 HE3 TRP 18 3HE TRP 18 2.444 0.943 0.271 159 HZ2 TRP 18 2HZ TRP 18 4.358 3.746 -3.356 160 HZ3 TRP 18 3HZ TRP 18 3.969 2.806 0.815 161 HH2 TRP 18 HH TRP 18 4.932 4.213 -0.982 162 H LYS 19 H LYS 19 0.100 -2.512 0.689 163 HA LYS 19 HA LYS 19 1.307 -0.863 2.687 164 1HB LYS 19 1HB LYS 19 -1.077 -2.133 2.423 165 2HB LYS 19 2HB LYS 19 -0.248 -3.261 3.522 166 1HG LYS 19 1HG LYS 19 0.289 -1.389 5.045 167 2HG LYS 19 2HG LYS 19 -0.525 -0.253 3.943 168 1HD LYS 19 1HD LYS 19 -2.659 -1.181 4.372 169 2HD LYS 19 2HD LYS 19 -1.970 -2.680 5.040 170 1HE LYS 19 1HE LYS 19 -1.131 -0.211 6.443 171 2HE LYS 19 2HE LYS 19 -2.871 -0.557 6.546 172 1HZ LYS 19 1HZ LYS 19 -1.016 -1.630 8.106 173 2HZ LYS 19 2HZ LYS 19 -2.495 -2.301 7.818 174 3HZ LYS 19 3HZ LYS 19 -1.177 -2.813 6.968 175 H MET 20 H MET 20 1.744 -4.240 1.668 176 HA MET 20 HA MET 20 3.093 -5.296 3.853 177 1HB MET 20 1HB MET 20 2.550 -6.676 1.963 178 2HB MET 20 2HB MET 20 3.530 -5.670 0.869 179 1HG MET 20 1HG MET 20 5.285 -6.383 2.930 180 2HG MET 20 2HG MET 20 4.341 -7.854 2.637 181 1HE MET 20 1HE MET 20 6.621 -5.094 1.125 182 2HE MET 20 2HE MET 20 6.854 -5.632 -0.556 183 3HE MET 20 3HE MET 20 5.258 -5.053 -0.020 184 H ARG 21 H ARG 21 4.599 -3.623 1.027 185 HA ARG 21 HA ARG 21 7.174 -3.487 2.322 186 1HB ARG 21 1HB ARG 21 7.597 -1.854 0.371 187 2HB ARG 21 2HB ARG 21 7.184 -3.535 -0.047 188 1HG ARG 21 1HG ARG 21 4.710 -2.191 0.237 189 2HG ARG 21 2HG ARG 21 5.756 -1.081 -0.681 190 1HD ARG 21 1HD ARG 21 5.795 -3.982 -1.435 191 2HD ARG 21 2HD ARG 21 4.358 -3.036 -1.877 192 HE ARG 21 HE ARG 21 7.060 -2.782 -2.978 193 1HH1 ARG 21 2HH2 ARG 21 3.885 -1.299 -2.503 194 2HH1 ARG 21 1HH2 ARG 21 4.041 -0.206 -3.860 195 1HH2 ARG 21 2HH1 ARG 21 7.265 -1.337 -4.770 196 2HH2 ARG 21 1HH1 ARG 21 5.968 -0.227 -5.152 197 H ARG 22 H ARG 22 4.421 -1.253 1.843 198 HA ARG 22 HA ARG 22 5.625 1.104 2.785 199 1HB ARG 22 1HB ARG 22 3.379 0.911 1.701 200 2HB ARG 22 2HB ARG 22 2.753 0.185 3.201 201 1HG ARG 22 1HG ARG 22 4.172 2.545 3.947 202 2HG ARG 22 2HG ARG 22 3.135 2.978 2.566 203 1HD ARG 22 1HD ARG 22 1.997 3.214 4.797 204 2HD ARG 22 2HD ARG 22 1.172 2.098 3.687 205 HE ARG 22 HE ARG 22 2.759 0.397 5.074 206 1HH1 ARG 22 2HH2 ARG 22 0.622 3.026 6.087 207 2HH1 ARG 22 1HH2 ARG 22 0.227 2.294 7.627 208 1HH2 ARG 22 2HH1 ARG 22 2.237 -0.569 7.108 209 2HH2 ARG 22 1HH1 ARG 22 1.148 0.245 8.208 210 H ASN 23 H ASN 23 5.845 -1.667 4.365 211 HA ASN 23 HA ASN 23 5.806 -0.323 7.003 212 1HB ASN 23 1HB ASN 23 3.742 -1.954 6.300 213 2HB ASN 23 2HB ASN 23 4.879 -3.145 6.968 214 1HD2 ASN 23 1HD2 ASN 23 4.099 0.281 7.808 215 2HD2 ASN 23 2HD2 ASN 23 3.740 -0.037 9.492 216 H GLN 24 H GLN 24 7.664 -1.561 4.747 217 HA GLN 24 HA GLN 24 9.723 -2.380 6.575 218 1HB GLN 24 1HB GLN 24 8.175 -4.481 5.049 219 2HB GLN 24 2HB GLN 24 9.895 -4.720 5.442 220 1HG GLN 24 1HG GLN 24 8.988 -3.868 7.852 221 2HG GLN 24 2HG GLN 24 7.511 -4.642 7.237 222 1HE2 GLN 24 1HE2 GLN 24 10.648 -5.121 8.611 223 2HE2 GLN 24 2HE2 GLN 24 10.670 -6.871 8.546 224 H PHE 25 H PHE 25 9.477 -4.023 3.492 225 HA PHE 25 HA PHE 25 11.826 -3.224 2.394 226 1HB PHE 25 1HB PHE 25 10.569 -4.801 1.203 227 2HB PHE 25 2HB PHE 25 9.130 -3.768 1.160 228 HD1 PHE 25 1HD PHE 25 9.620 -1.384 -0.064 229 HD2 PHE 25 2HD PHE 25 11.688 -5.077 -0.796 230 HE1 PHE 25 1HE PHE 25 10.267 -0.576 -2.318 231 HE2 PHE 25 2HE PHE 25 12.335 -4.269 -3.049 232 HZ PHE 25 HZ PHE 25 11.624 -2.018 -3.810 233 H TRP 26 H TRP 26 8.804 -1.327 2.489 234 HA TRP 26 HA TRP 26 9.389 0.727 0.734 235 1HB TRP 26 1HB TRP 26 7.777 1.950 1.848 236 2HB TRP 26 2HB TRP 26 7.368 0.293 2.313 237 HD1 TRP 26 HD TRP 26 7.382 -0.297 4.811 238 HE1 TRP 26 1HE TRP 26 7.784 0.973 6.982 239 HE3 TRP 26 3HE TRP 26 9.327 4.022 2.871 240 HZ2 TRP 26 2HZ TRP 26 8.823 3.550 7.790 241 HZ3 TRP 26 3HZ TRP 26 10.010 5.859 4.370 242 HH2 TRP 26 HH TRP 26 9.765 5.640 6.825 243 H VAL 27 H VAL 27 10.556 0.292 4.096 244 HA VAL 27 HA VAL 27 11.785 2.656 4.647 245 HB VAL 27 HB VAL 27 13.404 1.400 5.944 246 1HG1 VAL 27 1HG1 VAL 27 10.571 0.822 5.882 247 2HG1 VAL 27 2HG1 VAL 27 11.461 -0.638 6.376 248 3HG1 VAL 27 3HG1 VAL 27 11.667 0.880 7.283 249 1HG2 VAL 27 1HG2 VAL 27 12.726 -0.760 3.941 250 2HG2 VAL 27 2HG2 VAL 27 14.323 -0.196 4.488 251 3HG2 VAL 27 3HG2 VAL 27 13.319 -1.199 5.561 252 H LYS 28 H LYS 28 12.985 0.134 2.398 253 HA LYS 28 HA LYS 28 15.443 1.480 1.801 254 1HB LYS 28 1HB LYS 28 13.821 -0.749 0.590 255 2HB LYS 28 2HB LYS 28 15.172 -0.048 -0.333 256 1HG LYS 28 1HG LYS 28 15.646 -0.742 2.551 257 2HG LYS 28 2HG LYS 28 15.548 -2.076 1.376 258 1HD LYS 28 1HD LYS 28 17.276 -0.963 -0.017 259 2HD LYS 28 2HD LYS 28 17.385 0.350 1.180 260 1HE LYS 28 1HE LYS 28 18.282 -1.081 2.840 261 2HE LYS 28 2HE LYS 28 17.769 -2.547 1.976 262 1HZ LYS 28 1HZ LYS 28 20.071 -2.246 1.692 263 2HZ LYS 28 2HZ LYS 28 19.352 -1.927 0.243 264 3HZ LYS 28 3HZ LYS 28 19.894 -0.686 1.185 265 H VAL 29 H VAL 29 12.156 1.540 0.416 266 HA VAL 29 HA VAL 29 12.548 2.825 -1.983 267 HB VAL 29 HB VAL 29 10.422 3.327 0.134 268 1HG1 VAL 29 1HG1 VAL 29 9.234 3.885 -2.251 269 2HG1 VAL 29 2HG1 VAL 29 9.978 5.127 -1.215 270 3HG1 VAL 29 3HG1 VAL 29 10.887 4.453 -2.589 271 1HG2 VAL 29 1HG2 VAL 29 10.760 0.987 -0.855 272 2HG2 VAL 29 2HG2 VAL 29 9.141 1.695 -1.068 273 3HG2 VAL 29 3HG2 VAL 29 10.294 1.687 -2.424 274 H GLN 30 H GLN 30 13.359 3.984 1.171 275 HA GLN 30 HA GLN 30 13.463 6.792 0.247 276 1HB GLN 30 1HB GLN 30 13.347 7.367 2.450 277 2HB GLN 30 2HB GLN 30 12.698 5.719 2.629 278 1HG GLN 30 1HG GLN 30 15.072 4.917 2.977 279 2HG GLN 30 2HG GLN 30 15.580 6.620 3.010 280 1HE2 GLN 30 1HE2 GLN 30 16.352 6.137 5.214 281 2HE2 GLN 30 2HE2 GLN 30 15.212 6.175 6.542 282 H ARG 31 H ARG 31 15.540 4.114 1.405 283 HA ARG 31 HA ARG 31 17.873 4.115 1.654 284 1HB ARG 31 1HB ARG 31 17.457 3.075 -0.482 285 2HB ARG 31 2HB ARG 31 17.282 4.657 -1.278 286 1HG ARG 31 1HG ARG 31 19.631 5.187 -0.809 287 2HG ARG 31 2HG ARG 31 19.821 3.658 0.081 288 1HD ARG 31 1HD ARG 31 20.398 2.690 -1.869 289 2HD ARG 31 2HD ARG 31 18.720 2.924 -2.404 290 HE ARG 31 HE ARG 31 19.962 5.358 -2.886 291 1HH1 ARG 31 2HH2 ARG 31 20.487 1.984 -3.803 292 2HH1 ARG 31 1HH2 ARG 31 21.210 2.374 -5.348 293 1HH2 ARG 31 2HH1 ARG 31 20.917 5.873 -4.926 294 2HH2 ARG 31 1HH1 ARG 31 21.455 4.591 -5.988 295 H GLY 32 H GLY 32 18.305 5.939 2.988 296 1HA GLY 32 1HA GLY 32 20.145 7.783 2.033 297 2HA GLY 32 2HA GLY 32 18.566 8.590 1.894 Start of MODEL 11 1 HA PRO 1 HA PRO 1 -11.884 9.674 4.155 2 1HB PRO 1 1HB PRO 1 -12.918 12.181 3.898 3 2HB PRO 1 2HB PRO 1 -12.207 11.605 5.441 4 1HG PRO 1 1HG PRO 1 -10.839 13.235 3.281 5 2HG PRO 1 2HG PRO 1 -10.922 13.604 5.035 6 1HD PRO 1 1HD PRO 1 -8.772 12.327 3.951 7 2HD PRO 1 2HD PRO 1 -9.413 11.830 5.546 8 HA PRO 2 HA PRO 2 -11.313 9.924 -0.408 9 1HB PRO 2 1HB PRO 2 -12.101 7.373 -0.950 10 2HB PRO 2 2HB PRO 2 -10.471 7.741 -0.298 11 1HG PRO 2 1HG PRO 2 -12.931 6.904 1.265 12 2HG PRO 2 2HG PRO 2 -11.297 6.166 1.330 13 1HD PRO 2 1HD PRO 2 -12.082 8.041 3.146 14 2HD PRO 2 2HD PRO 2 -10.417 8.055 2.489 15 H LEU 3 H LEU 3 -13.217 8.540 -1.933 16 HA LEU 3 HA LEU 3 -15.609 10.126 -1.311 17 1HB LEU 3 1HB LEU 3 -14.496 8.658 -3.676 18 2HB LEU 3 2HB LEU 3 -16.260 8.886 -3.587 19 HG LEU 3 HG LEU 3 -15.130 10.758 -4.787 20 1HD1 LEU 3 1HD1 LEU 3 -16.871 10.950 -2.456 21 2HD1 LEU 3 2HD1 LEU 3 -15.890 12.424 -2.639 22 3HD1 LEU 3 3HD1 LEU 3 -16.922 11.870 -3.979 23 1HD2 LEU 3 1HD2 LEU 3 -13.041 10.494 -3.237 24 2HD2 LEU 3 2HD2 LEU 3 -13.513 12.129 -3.758 25 3HD2 LEU 3 3HD2 LEU 3 -13.932 11.559 -2.125 26 H SER 4 H SER 4 -14.518 7.366 -0.070 27 HA SER 4 HA SER 4 -15.488 5.516 0.863 28 1HB SER 4 1HB SER 4 -17.751 5.740 1.657 29 2HB SER 4 2HB SER 4 -16.987 7.345 1.765 30 HG SER 4 HG SER 4 -18.084 6.962 -0.667 31 H GLN 5 H GLN 5 -15.452 3.662 -0.254 32 HA GLN 5 HA GLN 5 -16.393 1.971 -1.555 33 1HB GLN 5 1HB GLN 5 -18.535 3.573 -1.413 34 2HB GLN 5 2HB GLN 5 -18.109 3.866 -3.117 35 1HG GLN 5 1HG GLN 5 -18.073 1.407 -3.505 36 2HG GLN 5 2HG GLN 5 -18.565 1.149 -1.817 37 1HE2 GLN 5 1HE2 GLN 5 -20.057 0.222 -4.071 38 2HE2 GLN 5 2HE2 GLN 5 -21.584 1.076 -4.100 39 H GLU 6 H GLU 6 -15.798 5.181 -3.037 40 HA GLU 6 HA GLU 6 -15.166 4.427 -5.629 41 1HB GLU 6 1HB GLU 6 -15.084 6.740 -4.233 42 2HB GLU 6 2HB GLU 6 -13.342 6.389 -4.316 43 1HG GLU 6 1HG GLU 6 -13.340 6.375 -6.684 44 2HG GLU 6 2HG GLU 6 -15.106 6.200 -6.771 45 H THR 7 H THR 7 -13.036 4.389 -2.730 46 HA THR 7 HA THR 7 -10.953 3.027 -4.326 47 HB THR 7 HB THR 7 -10.288 3.346 -1.541 48 HG1 THR 7 1HG THR 7 -11.351 5.101 -1.148 49 1HG2 THR 7 1HG2 THR 7 -9.385 4.850 -4.035 50 2HG2 THR 7 2HG2 THR 7 -8.496 4.725 -2.497 51 3HG2 THR 7 3HG2 THR 7 -8.743 3.277 -3.502 52 H PHE 8 H PHE 8 -11.280 2.420 -0.897 53 HA PHE 8 HA PHE 8 -10.974 0.144 -0.132 54 1HB PHE 8 1HB PHE 8 -13.947 0.329 -0.595 55 2HB PHE 8 2HB PHE 8 -13.073 -0.312 0.806 56 HD1 PHE 8 1HD PHE 8 -12.965 2.963 -1.044 57 HD2 PHE 8 2HD PHE 8 -13.524 0.933 2.700 58 HE1 PHE 8 1HE PHE 8 -13.200 5.148 0.105 59 HE2 PHE 8 2HE PHE 8 -13.760 3.118 3.849 60 HZ PHE 8 HZ PHE 8 -13.598 5.226 2.552 61 H SER 9 H SER 9 -13.614 0.121 -2.601 62 HA SER 9 HA SER 9 -13.792 -2.468 -3.270 63 1HB SER 9 1HB SER 9 -14.862 -0.515 -4.452 64 2HB SER 9 2HB SER 9 -13.348 -0.310 -5.366 65 HG SER 9 HG SER 9 -14.845 -2.719 -5.247 66 H ASP 10 H ASP 10 -11.288 -0.363 -4.808 67 HA ASP 10 HA ASP 10 -9.701 -2.829 -5.306 68 1HB ASP 10 1HB ASP 10 -8.547 -1.472 -7.008 69 2HB ASP 10 2HB ASP 10 -10.301 -1.508 -7.292 70 H LEU 11 H LEU 11 -9.916 0.035 -3.394 71 HA LEU 11 HA LEU 11 -7.121 0.491 -2.962 72 1HB LEU 11 1HB LEU 11 -9.214 1.982 -2.457 73 2HB LEU 11 2HB LEU 11 -9.268 1.079 -0.924 74 HG LEU 11 HG LEU 11 -7.477 3.225 -1.731 75 1HD1 LEU 11 1HD1 LEU 11 -7.823 1.606 0.829 76 2HD1 LEU 11 2HD1 LEU 11 -6.929 3.139 0.698 77 3HD1 LEU 11 3HD1 LEU 11 -8.685 3.106 0.409 78 1HD2 LEU 11 1HD2 LEU 11 -6.248 0.549 -0.955 79 2HD2 LEU 11 2HD2 LEU 11 -5.913 1.511 -2.414 80 3HD2 LEU 11 3HD2 LEU 11 -5.392 2.104 -0.819 81 H TRP 12 H TRP 12 -9.559 -0.855 -0.661 82 HA TRP 12 HA TRP 12 -7.752 -1.905 1.172 83 1HB TRP 12 1HB TRP 12 -9.654 -2.526 2.144 84 2HB TRP 12 2HB TRP 12 -10.516 -1.963 0.705 85 HD1 TRP 12 HD TRP 12 -12.049 -3.675 -0.302 86 HE1 TRP 12 1HE TRP 12 -12.252 -6.213 -0.375 87 HE3 TRP 12 3HE TRP 12 -7.807 -4.898 2.288 88 HZ2 TRP 12 2HZ TRP 12 -10.760 -8.505 0.573 89 HZ3 TRP 12 3HZ TRP 12 -7.233 -7.265 2.682 90 HH2 TRP 12 HH TRP 12 -8.695 -9.076 1.834 91 H LYS 13 H LYS 13 -8.863 -3.245 -1.932 92 HA LYS 13 HA LYS 13 -7.625 -5.826 -1.506 93 1HB LYS 13 1HB LYS 13 -9.453 -4.692 -3.309 94 2HB LYS 13 2HB LYS 13 -8.019 -5.066 -4.294 95 1HG LYS 13 1HG LYS 13 -8.045 -7.356 -3.025 96 2HG LYS 13 2HG LYS 13 -9.729 -6.932 -2.634 97 1HD LYS 13 1HD LYS 13 -10.367 -6.882 -4.918 98 2HD LYS 13 2HD LYS 13 -8.679 -6.785 -5.476 99 1HE LYS 13 1HE LYS 13 -9.284 -9.158 -3.814 100 2HE LYS 13 2HE LYS 13 -10.169 -9.101 -5.354 101 1HZ LYS 13 1HZ LYS 13 -7.970 -10.180 -5.424 102 2HZ LYS 13 2HZ LYS 13 -8.166 -8.958 -6.514 103 3HZ LYS 13 3HZ LYS 13 -7.273 -8.710 -5.150 104 H LEU 14 H LEU 14 -6.645 -2.687 -2.791 105 HA LEU 14 HA LEU 14 -4.375 -3.526 -4.270 106 1HB LEU 14 1HB LEU 14 -5.605 -1.077 -3.408 107 2HB LEU 14 2HB LEU 14 -3.865 -0.998 -3.038 108 HG LEU 14 HG LEU 14 -4.051 -0.214 -5.281 109 1HD1 LEU 14 1HD1 LEU 14 -2.562 -2.415 -4.677 110 2HD1 LEU 14 2HD1 LEU 14 -3.549 -3.061 -6.009 111 3HD1 LEU 14 3HD1 LEU 14 -2.536 -1.621 -6.270 112 1HD2 LEU 14 1HD2 LEU 14 -5.310 -1.520 -7.016 113 2HD2 LEU 14 2HD2 LEU 14 -5.879 -2.612 -5.730 114 3HD2 LEU 14 3HD2 LEU 14 -6.356 -0.897 -5.717 115 H LEU 15 H LEU 15 -4.813 -2.649 -0.819 116 HA LEU 15 HA LEU 15 -2.018 -2.968 -0.182 117 1HB LEU 15 1HB LEU 15 -4.578 -2.459 1.263 118 2HB LEU 15 2HB LEU 15 -3.262 -3.200 2.206 119 HG LEU 15 HG LEU 15 -2.226 -1.070 0.520 120 1HD1 LEU 15 1HD1 LEU 15 -4.786 -0.469 1.106 121 2HD1 LEU 15 2HD1 LEU 15 -4.034 0.035 2.639 122 3HD1 LEU 15 3HD1 LEU 15 -3.501 0.762 1.104 123 1HD2 LEU 15 1HD2 LEU 15 -1.988 -0.296 3.170 124 2HD2 LEU 15 2HD2 LEU 15 -2.139 -2.065 3.299 125 3HD2 LEU 15 3HD2 LEU 15 -0.847 -1.352 2.303 126 H LYS 16 H LYS 16 -4.410 -5.168 -1.050 127 HA LYS 16 HA LYS 16 -3.746 -7.289 0.811 128 1HB LYS 16 1HB LYS 16 -5.800 -6.760 -0.986 129 2HB LYS 16 2HB LYS 16 -4.905 -8.087 -1.766 130 1HG LYS 16 1HG LYS 16 -4.940 -8.955 0.827 131 2HG LYS 16 2HG LYS 16 -6.484 -8.073 0.756 132 1HD LYS 16 1HD LYS 16 -6.849 -9.352 -1.490 133 2HD LYS 16 2HD LYS 16 -5.565 -10.435 -0.902 134 1HE LYS 16 1HE LYS 16 -7.136 -10.219 1.333 135 2HE LYS 16 2HE LYS 16 -8.357 -10.096 0.049 136 1HZ LYS 16 1HZ LYS 16 -6.756 -12.324 0.838 137 2HZ LYS 16 2HZ LYS 16 -8.232 -12.284 0.102 138 3HZ LYS 16 3HZ LYS 16 -6.858 -12.108 -0.794 139 H LYS 17 H LYS 17 -1.716 -5.825 -1.127 140 HA LYS 17 HA LYS 17 -0.057 -8.156 -1.498 141 1HB LYS 17 1HB LYS 17 -0.892 -8.737 -3.523 142 2HB LYS 17 2HB LYS 17 -1.740 -7.185 -3.724 143 1HG LYS 17 1HG LYS 17 1.271 -7.536 -4.032 144 2HG LYS 17 2HG LYS 17 0.121 -7.559 -5.390 145 1HD LYS 17 1HD LYS 17 -0.575 -5.267 -3.925 146 2HD LYS 17 2HD LYS 17 1.205 -5.279 -3.911 147 1HE LYS 17 1HE LYS 17 0.471 -6.032 -6.529 148 2HE LYS 17 2HE LYS 17 -0.623 -4.698 -6.103 149 1HZ LYS 17 1HZ LYS 17 2.305 -4.691 -6.088 150 2HZ LYS 17 2HZ LYS 17 1.290 -3.763 -6.999 151 3HZ LYS 17 3HZ LYS 17 1.405 -3.509 -5.373 152 H TRP 18 H TRP 18 -0.787 -4.738 -2.206 153 HA TRP 18 HA TRP 18 1.964 -4.041 -2.751 154 1HB TRP 18 1HB TRP 18 -0.394 -2.886 -3.290 155 2HB TRP 18 2HB TRP 18 -0.020 -2.031 -1.787 156 HD1 TRP 18 HD TRP 18 0.488 -1.815 -5.387 157 HE1 TRP 18 1HE TRP 18 2.274 -0.112 -6.018 158 HE3 TRP 18 3HE TRP 18 2.609 -1.127 -0.780 159 HZ2 TRP 18 2HZ TRP 18 4.374 1.373 -4.692 160 HZ3 TRP 18 3HZ TRP 18 4.497 0.437 -0.504 161 HH2 TRP 18 HH TRP 18 5.390 1.692 -2.444 162 H LYS 19 H LYS 19 -0.225 -3.857 0.083 163 HA LYS 19 HA LYS 19 1.143 -2.376 1.886 164 1HB LYS 19 1HB LYS 19 -0.918 -3.666 2.366 165 2HB LYS 19 2HB LYS 19 0.042 -5.164 2.416 166 1HG LYS 19 1HG LYS 19 1.428 -3.419 4.109 167 2HG LYS 19 2HG LYS 19 -0.285 -3.086 4.460 168 1HD LYS 19 1HD LYS 19 -0.717 -5.323 5.081 169 2HD LYS 19 2HD LYS 19 0.738 -5.930 4.256 170 1HE LYS 19 1HE LYS 19 2.117 -4.592 5.909 171 2HE LYS 19 2HE LYS 19 0.613 -4.259 6.795 172 1HZ LYS 19 1HZ LYS 19 2.146 -6.665 6.635 173 2HZ LYS 19 2HZ LYS 19 1.145 -6.120 7.828 174 3HZ LYS 19 3HZ LYS 19 0.516 -6.885 6.508 175 H MET 20 H MET 20 2.015 -5.707 0.874 176 HA MET 20 HA MET 20 4.003 -6.413 2.567 177 1HB MET 20 1HB MET 20 4.035 -7.953 0.919 178 2HB MET 20 2HB MET 20 3.461 -6.783 -0.293 179 1HG MET 20 1HG MET 20 6.085 -5.982 0.371 180 2HG MET 20 2HG MET 20 6.155 -7.745 0.219 181 1HE MET 20 1HE MET 20 5.107 -4.354 -1.932 182 2HE MET 20 2HE MET 20 4.113 -5.293 -3.071 183 3HE MET 20 3HE MET 20 3.748 -5.332 -1.330 184 H ARG 21 H ARG 21 4.323 -3.989 -0.065 185 HA ARG 21 HA ARG 21 7.042 -3.334 0.865 186 1HB ARG 21 1HB ARG 21 5.323 -2.579 -1.507 187 2HB ARG 21 2HB ARG 21 6.794 -1.660 -1.108 188 1HG ARG 21 1HG ARG 21 8.203 -3.466 -1.538 189 2HG ARG 21 2HG ARG 21 6.933 -4.669 -1.210 190 1HD ARG 21 1HD ARG 21 5.802 -3.434 -3.322 191 2HD ARG 21 2HD ARG 21 7.508 -3.117 -3.705 192 HE ARG 21 HE ARG 21 6.130 -5.616 -3.971 193 1HH1 ARG 21 2HH2 ARG 21 9.217 -4.199 -2.989 194 2HH1 ARG 21 1HH2 ARG 21 10.155 -5.615 -3.405 195 1HH2 ARG 21 2HH1 ARG 21 7.370 -7.486 -4.521 196 2HH2 ARG 21 1HH1 ARG 21 9.102 -7.490 -4.278 197 H ARG 22 H ARG 22 3.803 -1.819 0.500 198 HA ARG 22 HA ARG 22 4.550 0.718 1.551 199 1HB ARG 22 1HB ARG 22 2.481 0.255 0.248 200 2HB ARG 22 2HB ARG 22 1.850 -0.686 1.622 201 1HG ARG 22 1HG ARG 22 2.748 1.800 2.680 202 2HG ARG 22 2HG ARG 22 1.812 2.179 1.214 203 1HD ARG 22 1HD ARG 22 0.411 2.036 3.299 204 2HD ARG 22 2HD ARG 22 -0.086 0.906 2.021 205 HE ARG 22 HE ARG 22 1.627 -0.613 3.499 206 1HH1 ARG 22 2HH2 ARG 22 -1.121 1.452 4.325 207 2HH1 ARG 22 1HH2 ARG 22 -1.581 0.512 5.727 208 1HH2 ARG 22 2HH1 ARG 22 1.020 -1.854 5.351 209 2HH2 ARG 22 1HH1 ARG 22 -0.360 -1.373 6.312 210 H ASN 23 H ASN 23 5.240 -1.940 3.062 211 HA ASN 23 HA ASN 23 4.671 -0.794 5.720 212 1HB ASN 23 1HB ASN 23 3.089 -2.840 4.699 213 2HB ASN 23 2HB ASN 23 4.304 -3.704 5.666 214 1HD2 ASN 23 1HD2 ASN 23 4.830 -1.837 7.686 215 2HD2 ASN 23 2HD2 ASN 23 3.393 -1.627 8.663 216 H GLN 24 H GLN 24 6.930 -1.503 3.645 217 HA GLN 24 HA GLN 24 8.913 -2.090 5.639 218 1HB GLN 24 1HB GLN 24 7.952 -4.297 3.809 219 2HB GLN 24 2HB GLN 24 9.637 -4.253 4.381 220 1HG GLN 24 1HG GLN 24 8.350 -3.792 6.722 221 2HG GLN 24 2HG GLN 24 7.113 -4.761 5.892 222 1HE2 GLN 24 1HE2 GLN 24 7.976 -6.000 8.029 223 2HE2 GLN 24 2HE2 GLN 24 9.163 -7.238 7.677 224 H PHE 25 H PHE 25 9.365 -3.509 2.487 225 HA PHE 25 HA PHE 25 11.592 -2.210 1.704 226 1HB PHE 25 1HB PHE 25 10.884 -3.786 0.188 227 2HB PHE 25 2HB PHE 25 9.205 -3.221 0.214 228 HD1 PHE 25 1HD PHE 25 8.964 -0.670 -0.696 229 HD2 PHE 25 2HD PHE 25 12.051 -3.456 -1.775 230 HE1 PHE 25 1HE PHE 25 9.350 0.574 -2.806 231 HE2 PHE 25 2HE PHE 25 12.436 -2.212 -3.885 232 HZ PHE 25 HZ PHE 25 11.086 -0.196 -4.401 233 H TRP 26 H TRP 26 8.298 -0.854 1.652 234 HA TRP 26 HA TRP 26 8.789 1.454 0.129 235 1HB TRP 26 1HB TRP 26 6.764 2.206 0.932 236 2HB TRP 26 2HB TRP 26 6.620 0.461 1.189 237 HD1 TRP 26 HD TRP 26 6.244 -0.378 3.584 238 HE1 TRP 26 1HE TRP 26 5.931 0.705 5.868 239 HE3 TRP 26 3HE TRP 26 7.622 4.408 2.403 240 HZ2 TRP 26 2HZ TRP 26 6.238 3.329 7.050 241 HZ3 TRP 26 3HZ TRP 26 7.599 6.169 4.132 242 HH2 TRP 26 HH TRP 26 6.911 5.648 6.454 243 H VAL 27 H VAL 27 9.267 0.833 3.631 244 HA VAL 27 HA VAL 27 9.851 3.246 4.681 245 HB VAL 27 HB VAL 27 11.444 2.160 6.135 246 1HG1 VAL 27 1HG1 VAL 27 10.014 -0.307 5.794 247 2HG1 VAL 27 2HG1 VAL 27 9.730 0.977 6.993 248 3HG1 VAL 27 3HG1 VAL 27 8.905 1.033 5.417 249 1HG2 VAL 27 1HG2 VAL 27 11.728 0.288 3.777 250 2HG2 VAL 27 2HG2 VAL 27 12.997 1.100 4.726 251 3HG2 VAL 27 3HG2 VAL 27 12.110 -0.278 5.421 252 H LYS 28 H LYS 28 11.995 1.421 2.456 253 HA LYS 28 HA LYS 28 14.093 3.390 2.527 254 1HB LYS 28 1HB LYS 28 13.424 0.920 0.992 255 2HB LYS 28 2HB LYS 28 14.531 2.074 0.211 256 1HG LYS 28 1HG LYS 28 14.984 1.378 3.103 257 2HG LYS 28 2HG LYS 28 15.454 0.195 1.860 258 1HD LYS 28 1HD LYS 28 17.233 1.439 1.216 259 2HD LYS 28 2HD LYS 28 16.263 2.930 1.162 260 1HE LYS 28 1HE LYS 28 16.364 2.840 3.756 261 2HE LYS 28 2HE LYS 28 17.690 1.680 3.525 262 1HZ LYS 28 1HZ LYS 28 17.905 4.361 3.526 263 2HZ LYS 28 2HZ LYS 28 19.035 3.299 2.965 264 3HZ LYS 28 3HZ LYS 28 17.963 3.991 1.920 265 H VAL 29 H VAL 29 11.262 2.764 0.439 266 HA VAL 29 HA VAL 29 11.773 4.435 -1.700 267 HB VAL 29 HB VAL 29 9.707 2.962 -1.112 268 1HG1 VAL 29 1HG1 VAL 29 8.291 3.750 0.454 269 2HG1 VAL 29 2HG1 VAL 29 9.386 5.125 0.732 270 3HG1 VAL 29 3HG1 VAL 29 8.082 5.255 -0.473 271 1HG2 VAL 29 1HG2 VAL 29 8.267 4.833 -2.439 272 2HG2 VAL 29 2HG2 VAL 29 9.899 5.504 -2.674 273 3HG2 VAL 29 3HG2 VAL 29 9.528 3.852 -3.225 274 H GLN 30 H GLN 30 11.529 5.295 1.625 275 HA GLN 30 HA GLN 30 10.881 8.111 1.004 276 1HB GLN 30 1HB GLN 30 10.187 8.258 3.163 277 2HB GLN 30 2HB GLN 30 10.159 6.480 3.081 278 1HG GLN 30 1HG GLN 30 12.538 6.456 3.871 279 2HG GLN 30 2HG GLN 30 12.457 8.221 4.063 280 1HE2 GLN 30 1HE2 GLN 30 13.102 7.242 6.338 281 2HE2 GLN 30 2HE2 GLN 30 11.760 7.010 7.437 282 H ARG 31 H ARG 31 13.489 6.064 2.375 283 HA ARG 31 HA ARG 31 15.616 6.739 3.087 284 1HB ARG 31 1HB ARG 31 15.940 5.933 0.838 285 2HB ARG 31 2HB ARG 31 15.389 7.477 0.146 286 1HG ARG 31 1HG ARG 31 17.505 8.024 2.017 287 2HG ARG 31 2HG ARG 31 18.046 6.732 0.919 288 1HD ARG 31 1HD ARG 31 17.154 8.183 -0.995 289 2HD ARG 31 2HD ARG 31 17.010 9.495 0.195 290 HE ARG 31 HE ARG 31 19.607 8.579 0.487 291 1HH1 ARG 31 2HH2 ARG 31 17.615 9.795 -2.169 292 2HH1 ARG 31 1HH2 ARG 31 18.963 10.492 -3.041 293 1HH2 ARG 31 2HH1 ARG 31 21.386 9.499 -0.665 294 2HH2 ARG 31 1HH1 ARG 31 21.112 10.323 -2.183 295 H GLY 32 H GLY 32 15.134 8.408 4.616 296 1HA GLY 32 1HA GLY 32 15.771 11.119 3.558 297 2HA GLY 32 2HA GLY 32 14.423 10.871 4.691 Start of MODEL 12 1 HA PRO 1 HA PRO 1 -11.626 4.938 5.093 2 1HB PRO 1 1HB PRO 1 -13.694 6.657 5.533 3 2HB PRO 1 2HB PRO 1 -13.128 5.516 6.796 4 1HG PRO 1 1HG PRO 1 -12.342 8.425 6.461 5 2HG PRO 1 2HG PRO 1 -12.959 7.628 7.945 6 1HD PRO 1 1HD PRO 1 -10.288 7.957 7.514 7 2HD PRO 1 2HD PRO 1 -10.910 6.445 8.241 8 HA PRO 2 HA PRO 2 -10.602 7.564 1.609 9 1HB PRO 2 1HB PRO 2 -11.379 5.827 -0.340 10 2HB PRO 2 2HB PRO 2 -9.918 5.535 0.658 11 1HG PRO 2 1HG PRO 2 -12.702 4.421 1.105 12 2HG PRO 2 2HG PRO 2 -11.163 3.503 1.023 13 1HD PRO 2 1HD PRO 2 -12.236 4.268 3.409 14 2HD PRO 2 2HD PRO 2 -10.468 4.350 3.141 15 H LEU 3 H LEU 3 -12.185 7.504 -0.702 16 HA LEU 3 HA LEU 3 -14.286 9.248 -0.041 17 1HB LEU 3 1HB LEU 3 -13.269 7.847 -2.414 18 2HB LEU 3 2HB LEU 3 -15.031 8.095 -2.458 19 HG LEU 3 HG LEU 3 -13.749 10.018 -3.432 20 1HD1 LEU 3 1HD1 LEU 3 -15.954 10.058 -1.810 21 2HD1 LEU 3 2HD1 LEU 3 -14.881 11.181 -0.940 22 3HD1 LEU 3 3HD1 LEU 3 -15.305 11.493 -2.641 23 1HD2 LEU 3 1HD2 LEU 3 -12.243 11.291 -2.163 24 2HD2 LEU 3 2HD2 LEU 3 -12.887 10.693 -0.616 25 3HD2 LEU 3 3HD2 LEU 3 -11.874 9.634 -1.626 26 H SER 4 H SER 4 -15.188 6.349 -1.855 27 HA SER 4 HA SER 4 -16.508 4.870 0.105 28 1HB SER 4 1HB SER 4 -18.867 6.020 -0.932 29 2HB SER 4 2HB SER 4 -18.248 6.146 0.732 30 HG SER 4 HG SER 4 -18.618 8.162 -0.550 31 H GLN 5 H GLN 5 -15.884 3.185 -1.244 32 HA GLN 5 HA GLN 5 -16.517 1.564 -2.790 33 1HB GLN 5 1HB GLN 5 -18.731 3.133 -2.872 34 2HB GLN 5 2HB GLN 5 -18.091 3.418 -4.508 35 1HG GLN 5 1HG GLN 5 -17.993 0.591 -3.655 36 2HG GLN 5 2HG GLN 5 -19.639 1.254 -3.758 37 1HE2 GLN 5 1HE2 GLN 5 -18.844 -0.775 -5.488 38 2HE2 GLN 5 2HE2 GLN 5 -18.695 -0.136 -7.112 39 H GLU 6 H GLU 6 -16.044 4.897 -4.067 40 HA GLU 6 HA GLU 6 -14.986 4.410 -6.540 41 1HB GLU 6 1HB GLU 6 -14.549 6.436 -4.415 42 2HB GLU 6 2HB GLU 6 -13.265 6.331 -5.644 43 1HG GLU 6 1HG GLU 6 -15.004 6.491 -7.427 44 2HG GLU 6 2HG GLU 6 -16.244 6.687 -6.169 45 H THR 7 H THR 7 -13.062 4.434 -3.480 46 HA THR 7 HA THR 7 -10.851 3.113 -4.910 47 HB THR 7 HB THR 7 -10.465 3.426 -2.055 48 HG1 THR 7 1HG THR 7 -10.600 5.788 -2.227 49 1HG2 THR 7 1HG2 THR 7 -8.588 4.819 -2.848 50 2HG2 THR 7 2HG2 THR 7 -8.705 3.323 -3.806 51 3HG2 THR 7 3HG2 THR 7 -9.298 4.861 -4.480 52 H PHE 8 H PHE 8 -11.539 2.460 -1.522 53 HA PHE 8 HA PHE 8 -11.203 0.188 -0.741 54 1HB PHE 8 1HB PHE 8 -14.107 0.218 -1.534 55 2HB PHE 8 2HB PHE 8 -13.360 -0.353 -0.032 56 HD1 PHE 8 1HD PHE 8 -13.216 2.901 -1.915 57 HD2 PHE 8 2HD PHE 8 -14.114 0.885 1.770 58 HE1 PHE 8 1HE PHE 8 -13.707 5.082 -0.841 59 HE2 PHE 8 2HE PHE 8 -14.605 3.066 2.844 60 HZ PHE 8 HZ PHE 8 -14.401 5.165 1.538 61 H SER 9 H SER 9 -13.549 0.068 -3.488 62 HA SER 9 HA SER 9 -13.522 -2.519 -4.188 63 1HB SER 9 1HB SER 9 -14.556 -0.605 -5.466 64 2HB SER 9 2HB SER 9 -12.965 -0.319 -6.212 65 HG SER 9 HG SER 9 -13.099 -2.652 -6.765 66 H ASP 10 H ASP 10 -10.984 -0.276 -5.452 67 HA ASP 10 HA ASP 10 -9.227 -2.652 -5.784 68 1HB ASP 10 1HB ASP 10 -8.077 -1.405 -7.455 69 2HB ASP 10 2HB ASP 10 -9.809 -1.146 -7.758 70 H LEU 11 H LEU 11 -9.851 0.002 -3.753 71 HA LEU 11 HA LEU 11 -7.114 0.641 -3.060 72 1HB LEU 11 1HB LEU 11 -9.313 2.044 -2.795 73 2HB LEU 11 2HB LEU 11 -9.502 1.130 -1.279 74 HG LEU 11 HG LEU 11 -7.724 3.353 -1.872 75 1HD1 LEU 11 1HD1 LEU 11 -8.902 1.882 0.411 76 2HD1 LEU 11 2HD1 LEU 11 -7.311 2.605 0.750 77 3HD1 LEU 11 3HD1 LEU 11 -8.653 3.630 0.187 78 1HD2 LEU 11 1HD2 LEU 11 -6.475 0.720 -0.993 79 2HD2 LEU 11 2HD2 LEU 11 -6.018 1.723 -2.390 80 3HD2 LEU 11 3HD2 LEU 11 -5.707 2.305 -0.737 81 H TRP 12 H TRP 12 -9.737 -0.756 -1.010 82 HA TRP 12 HA TRP 12 -8.083 -1.790 0.974 83 1HB TRP 12 1HB TRP 12 -10.058 -2.414 1.784 84 2HB TRP 12 2HB TRP 12 -10.798 -1.865 0.274 85 HD1 TRP 12 HD TRP 12 -12.243 -3.593 -0.831 86 HE1 TRP 12 1HE TRP 12 -12.419 -6.132 -0.910 87 HE3 TRP 12 3HE TRP 12 -8.198 -4.773 2.075 88 HZ2 TRP 12 2HZ TRP 12 -10.985 -8.409 0.155 89 HZ3 TRP 12 3HZ TRP 12 -7.636 -7.134 2.520 90 HH2 TRP 12 HH TRP 12 -9.016 -8.960 1.570 91 H LYS 13 H LYS 13 -8.965 -3.171 -2.193 92 HA LYS 13 HA LYS 13 -7.791 -5.746 -1.686 93 1HB LYS 13 1HB LYS 13 -9.402 -4.611 -3.638 94 2HB LYS 13 2HB LYS 13 -7.855 -4.851 -4.486 95 1HG LYS 13 1HG LYS 13 -8.019 -7.210 -3.149 96 2HG LYS 13 2HG LYS 13 -9.752 -6.862 -3.358 97 1HD LYS 13 1HD LYS 13 -9.336 -7.936 -5.366 98 2HD LYS 13 2HD LYS 13 -8.950 -6.265 -5.843 99 1HE LYS 13 1HE LYS 13 -6.584 -7.247 -4.683 100 2HE LYS 13 2HE LYS 13 -7.201 -8.597 -5.660 101 1HZ LYS 13 1HZ LYS 13 -5.815 -6.498 -6.580 102 2HZ LYS 13 2HZ LYS 13 -6.727 -7.522 -7.497 103 3HZ LYS 13 3HZ LYS 13 -7.364 -6.092 -6.976 104 H LEU 14 H LEU 14 -6.600 -2.615 -2.817 105 HA LEU 14 HA LEU 14 -4.155 -3.541 -3.959 106 1HB LEU 14 1HB LEU 14 -5.438 -1.010 -3.262 107 2HB LEU 14 2HB LEU 14 -3.690 -0.980 -2.928 108 HG LEU 14 HG LEU 14 -4.676 -0.434 -5.367 109 1HD1 LEU 14 1HD1 LEU 14 -2.273 -0.464 -4.574 110 2HD1 LEU 14 2HD1 LEU 14 -2.225 -2.198 -4.970 111 3HD1 LEU 14 3HD1 LEU 14 -2.493 -0.999 -6.257 112 1HD2 LEU 14 1HD2 LEU 14 -5.393 -3.122 -5.055 113 2HD2 LEU 14 2HD2 LEU 14 -5.319 -2.226 -6.591 114 3HD2 LEU 14 3HD2 LEU 14 -3.920 -3.184 -6.052 115 H LEU 15 H LEU 15 -5.039 -2.386 -0.671 116 HA LEU 15 HA LEU 15 -2.410 -2.605 0.410 117 1HB LEU 15 1HB LEU 15 -5.195 -2.591 1.609 118 2HB LEU 15 2HB LEU 15 -3.728 -2.703 2.610 119 HG LEU 15 HG LEU 15 -4.356 -0.494 0.604 120 1HD1 LEU 15 1HD1 LEU 15 -4.289 0.865 2.809 121 2HD1 LEU 15 2HD1 LEU 15 -5.733 -0.132 2.505 122 3HD1 LEU 15 3HD1 LEU 15 -4.477 -0.705 3.629 123 1HD2 LEU 15 1HD2 LEU 15 -1.962 -1.175 2.320 124 2HD2 LEU 15 2HD2 LEU 15 -2.013 -0.652 0.620 125 3HD2 LEU 15 3HD2 LEU 15 -2.323 0.521 1.922 126 H LYS 16 H LYS 16 -4.627 -4.972 -0.657 127 HA LYS 16 HA LYS 16 -3.967 -7.027 1.271 128 1HB LYS 16 1HB LYS 16 -5.905 -6.646 -0.686 129 2HB LYS 16 2HB LYS 16 -4.876 -7.926 -1.372 130 1HG LYS 16 1HG LYS 16 -5.046 -9.156 0.814 131 2HG LYS 16 2HG LYS 16 -6.197 -7.919 1.374 132 1HD LYS 16 1HD LYS 16 -7.807 -8.518 -0.279 133 2HD LYS 16 2HD LYS 16 -6.615 -9.454 -1.213 134 1HE LYS 16 1HE LYS 16 -6.499 -11.154 0.486 135 2HE LYS 16 2HE LYS 16 -7.431 -10.163 1.629 136 1HZ LYS 16 1HZ LYS 16 -8.899 -11.691 0.744 137 2HZ LYS 16 2HZ LYS 16 -9.241 -10.291 -0.058 138 3HZ LYS 16 3HZ LYS 16 -8.375 -11.480 -0.805 139 H LYS 17 H LYS 17 -1.905 -5.461 -0.575 140 HA LYS 17 HA LYS 17 -0.077 -7.691 -0.766 141 1HB LYS 17 1HB LYS 17 -0.767 -8.348 -2.829 142 2HB LYS 17 2HB LYS 17 -1.625 -6.820 -3.139 143 1HG LYS 17 1HG LYS 17 1.408 -7.096 -3.173 144 2HG LYS 17 2HG LYS 17 0.388 -7.205 -4.627 145 1HD LYS 17 1HD LYS 17 -0.510 -4.888 -3.327 146 2HD LYS 17 2HD LYS 17 1.259 -4.840 -3.136 147 1HE LYS 17 1HE LYS 17 0.501 -3.747 -5.244 148 2HE LYS 17 2HE LYS 17 1.565 -5.138 -5.543 149 1HZ LYS 17 1HZ LYS 17 -1.328 -5.470 -5.505 150 2HZ LYS 17 2HZ LYS 17 -0.573 -4.907 -6.859 151 3HZ LYS 17 3HZ LYS 17 -0.182 -6.390 -6.253 152 H TRP 18 H TRP 18 -0.950 -4.339 -1.640 153 HA TRP 18 HA TRP 18 1.767 -3.468 -2.002 154 1HB TRP 18 1HB TRP 18 -0.648 -2.460 -2.630 155 2HB TRP 18 2HB TRP 18 -0.358 -1.571 -1.128 156 HD1 TRP 18 HD TRP 18 0.207 -1.341 -4.711 157 HE1 TRP 18 1HE TRP 18 1.926 0.437 -5.318 158 HE3 TRP 18 3HE TRP 18 2.227 -0.555 -0.074 159 HZ2 TRP 18 2HZ TRP 18 3.939 2.015 -3.964 160 HZ3 TRP 18 3HZ TRP 18 4.040 1.091 0.227 161 HH2 TRP 18 HH TRP 18 4.906 2.381 -1.702 162 H LYS 19 H LYS 19 -0.574 -3.368 0.718 163 HA LYS 19 HA LYS 19 0.726 -1.830 2.562 164 1HB LYS 19 1HB LYS 19 -1.423 -3.095 2.878 165 2HB LYS 19 2HB LYS 19 -0.462 -4.566 3.158 166 1HG LYS 19 1HG LYS 19 0.783 -3.199 4.961 167 2HG LYS 19 2HG LYS 19 -0.547 -2.025 4.816 168 1HD LYS 19 1HD LYS 19 -2.127 -4.044 5.151 169 2HD LYS 19 2HD LYS 19 -0.679 -4.929 5.688 170 1HE LYS 19 1HE LYS 19 -0.536 -2.478 7.040 171 2HE LYS 19 2HE LYS 19 -2.260 -2.906 7.095 172 1HZ LYS 19 1HZ LYS 19 -0.114 -4.026 8.501 173 2HZ LYS 19 2HZ LYS 19 -1.733 -4.269 8.699 174 3HZ LYS 19 3HZ LYS 19 -0.885 -5.196 7.630 175 H MET 20 H MET 20 1.763 -4.945 1.285 176 HA MET 20 HA MET 20 3.544 -5.798 3.251 177 1HB MET 20 1HB MET 20 3.045 -7.126 1.279 178 2HB MET 20 2HB MET 20 3.776 -5.896 0.219 179 1HG MET 20 1HG MET 20 5.715 -6.483 2.188 180 2HG MET 20 2HG MET 20 5.043 -8.048 1.700 181 1HE MET 20 1HE MET 20 6.939 -4.998 -1.226 182 2HE MET 20 2HE MET 20 5.272 -4.852 -0.620 183 3HE MET 20 3HE MET 20 6.644 -4.703 0.504 184 H ARG 21 H ARG 21 4.190 -3.556 0.501 185 HA ARG 21 HA ARG 21 6.832 -2.923 1.579 186 1HB ARG 21 1HB ARG 21 6.759 -1.260 -0.382 187 2HB ARG 21 2HB ARG 21 6.694 -2.992 -0.791 188 1HG ARG 21 1HG ARG 21 4.033 -1.867 -0.269 189 2HG ARG 21 2HG ARG 21 4.867 -1.040 -1.607 190 1HD ARG 21 1HD ARG 21 5.452 -3.703 -2.089 191 2HD ARG 21 2HD ARG 21 3.795 -3.786 -1.454 192 HE ARG 21 HE ARG 21 3.045 -2.882 -3.433 193 1HH1 ARG 21 2HH2 ARG 21 6.458 -2.079 -2.975 194 2HH1 ARG 21 1HH2 ARG 21 6.625 -1.301 -4.533 195 1HH2 ARG 21 2HH1 ARG 21 3.266 -1.853 -5.490 196 2HH2 ARG 21 1HH1 ARG 21 4.805 -1.172 -5.967 197 H ARG 22 H ARG 22 3.615 -1.385 1.270 198 HA ARG 22 HA ARG 22 4.359 1.176 2.231 199 1HB ARG 22 1HB ARG 22 2.229 0.731 1.103 200 2HB ARG 22 2HB ARG 22 1.725 -0.337 2.435 201 1HG ARG 22 1HG ARG 22 0.888 2.134 2.449 202 2HG ARG 22 2HG ARG 22 1.535 1.455 3.962 203 1HD ARG 22 1HD ARG 22 2.412 3.760 3.368 204 2HD ARG 22 2HD ARG 22 3.663 2.526 3.629 205 HE ARG 22 HE ARG 22 4.222 2.610 1.363 206 1HH1 ARG 22 2HH2 ARG 22 1.280 4.451 2.040 207 2HH1 ARG 22 1HH2 ARG 22 1.244 5.231 0.475 208 1HH2 ARG 22 2HH1 ARG 22 4.174 3.641 -0.705 209 2HH2 ARG 22 1HH1 ARG 22 2.894 4.769 -1.090 210 H ASN 23 H ASN 23 5.170 -1.469 3.752 211 HA ASN 23 HA ASN 23 4.811 -0.246 6.414 212 1HB ASN 23 1HB ASN 23 3.109 -2.255 5.606 213 2HB ASN 23 2HB ASN 23 4.411 -3.170 6.396 214 1HD2 ASN 23 1HD2 ASN 23 1.469 -1.797 6.955 215 2HD2 ASN 23 2HD2 ASN 23 1.624 -1.407 8.655 216 H GLN 24 H GLN 24 6.891 -1.066 4.177 217 HA GLN 24 HA GLN 24 9.034 -1.564 6.017 218 1HB GLN 24 1HB GLN 24 7.890 -3.871 4.435 219 2HB GLN 24 2HB GLN 24 9.624 -3.814 4.834 220 1HG GLN 24 1HG GLN 24 8.560 -3.178 7.254 221 2HG GLN 24 2HG GLN 24 7.262 -4.206 6.611 222 1HE2 GLN 24 1HE2 GLN 24 8.394 -5.239 8.768 223 2HE2 GLN 24 2HE2 GLN 24 9.530 -6.515 8.384 224 H PHE 25 H PHE 25 9.142 -3.169 2.912 225 HA PHE 25 HA PHE 25 11.317 -1.990 1.848 226 1HB PHE 25 1HB PHE 25 10.308 -3.663 0.568 227 2HB PHE 25 2HB PHE 25 8.728 -2.862 0.582 228 HD1 PHE 25 1HD PHE 25 8.829 -0.377 -0.524 229 HD2 PHE 25 2HD PHE 25 11.440 -3.662 -1.443 230 HE1 PHE 25 1HE PHE 25 9.320 0.632 -2.736 231 HE2 PHE 25 2HE PHE 25 11.930 -2.653 -3.655 232 HZ PHE 25 HZ PHE 25 10.871 -0.506 -4.301 233 H TRP 26 H TRP 26 8.064 -0.529 2.002 234 HA TRP 26 HA TRP 26 8.453 1.682 0.343 235 1HB TRP 26 1HB TRP 26 6.588 2.584 1.374 236 2HB TRP 26 2HB TRP 26 6.394 0.854 1.691 237 HD1 TRP 26 HD TRP 26 6.234 0.095 4.130 238 HE1 TRP 26 1HE TRP 26 6.268 1.234 6.408 239 HE3 TRP 26 3HE TRP 26 7.780 4.754 2.680 240 HZ2 TRP 26 2HZ TRP 26 6.889 3.848 7.482 241 HZ3 TRP 26 3HZ TRP 26 8.081 6.539 4.356 242 HH2 TRP 26 HH TRP 26 7.641 6.105 6.755 243 H VAL 27 H VAL 27 9.374 1.217 3.778 244 HA VAL 27 HA VAL 27 10.179 3.700 4.549 245 HB VAL 27 HB VAL 27 11.784 2.632 5.981 246 1HG1 VAL 27 1HG1 VAL 27 10.207 0.228 5.947 247 2HG1 VAL 27 2HG1 VAL 27 10.083 1.616 7.054 248 3HG1 VAL 27 3HG1 VAL 27 9.146 1.598 5.541 249 1HG2 VAL 27 1HG2 VAL 27 12.355 0.160 5.481 250 2HG2 VAL 27 2HG2 VAL 27 11.755 0.484 3.836 251 3HG2 VAL 27 3HG2 VAL 27 13.145 1.395 4.472 252 H LYS 28 H LYS 28 12.020 1.476 2.407 253 HA LYS 28 HA LYS 28 14.277 3.177 2.091 254 1HB LYS 28 1HB LYS 28 13.067 0.899 0.517 255 2HB LYS 28 2HB LYS 28 14.472 1.794 -0.111 256 1HG LYS 28 1HG LYS 28 14.343 0.536 2.661 257 2HG LYS 28 2HG LYS 28 15.090 -0.241 1.244 258 1HD LYS 28 1HD LYS 28 16.461 1.956 1.021 259 2HD LYS 28 2HD LYS 28 15.943 2.281 2.693 260 1HE LYS 28 1HE LYS 28 16.743 -0.291 2.965 261 2HE LYS 28 2HE LYS 28 17.810 0.204 1.633 262 1HZ LYS 28 1HZ LYS 28 18.230 2.203 3.140 263 2HZ LYS 28 2HZ LYS 28 17.668 1.232 4.349 264 3HZ LYS 28 3HZ LYS 28 18.986 0.774 3.468 265 H VAL 29 H VAL 29 11.155 2.924 0.378 266 HA VAL 29 HA VAL 29 11.615 4.446 -1.874 267 HB VAL 29 HB VAL 29 9.213 4.497 -0.006 268 1HG1 VAL 29 1HG1 VAL 29 8.837 6.350 -1.375 269 2HG1 VAL 29 2HG1 VAL 29 9.756 5.662 -2.734 270 3HG1 VAL 29 3HG1 VAL 29 8.128 5.048 -2.359 271 1HG2 VAL 29 1HG2 VAL 29 9.989 2.274 -0.995 272 2HG2 VAL 29 2HG2 VAL 29 8.331 2.763 -1.421 273 3HG2 VAL 29 3HG2 VAL 29 9.650 2.967 -2.599 274 H GLN 30 H GLN 30 11.914 5.425 1.423 275 HA GLN 30 HA GLN 30 11.644 8.288 0.752 276 1HB GLN 30 1HB GLN 30 11.270 8.604 2.973 277 2HB GLN 30 2HB GLN 30 10.942 6.854 2.972 278 1HG GLN 30 1HG GLN 30 13.341 6.432 3.496 279 2HG GLN 30 2HG GLN 30 13.618 8.186 3.562 280 1HE2 GLN 30 1HE2 GLN 30 12.853 9.400 5.325 281 2HE2 GLN 30 2HE2 GLN 30 12.232 8.649 6.780 282 H ARG 31 H ARG 31 14.059 5.904 1.927 283 HA ARG 31 HA ARG 31 16.334 6.305 2.376 284 1HB ARG 31 1HB ARG 31 15.800 5.475 -0.063 285 2HB ARG 31 2HB ARG 31 16.361 7.098 -0.533 286 1HG ARG 31 1HG ARG 31 18.332 6.435 1.202 287 2HG ARG 31 2HG ARG 31 17.887 4.808 0.635 288 1HD ARG 31 1HD ARG 31 18.375 5.330 -1.618 289 2HD ARG 31 2HD ARG 31 18.324 7.080 -1.317 290 HE ARG 31 HE ARG 31 20.394 6.134 0.279 291 1HH1 ARG 31 2HH2 ARG 31 19.552 6.080 -3.155 292 2HH1 ARG 31 1HH2 ARG 31 21.214 6.067 -3.702 293 1HH2 ARG 31 2HH1 ARG 31 22.589 6.118 -0.444 294 2HH2 ARG 31 1HH1 ARG 31 22.945 6.089 -2.157 295 H GLY 32 H GLY 32 17.770 8.135 0.310 296 1HA GLY 32 1HA GLY 32 17.941 10.519 0.009 297 2HA GLY 32 2HA GLY 32 17.063 10.752 1.538 Start of MODEL 13 1 HA PRO 1 HA PRO 1 -15.013 10.733 -3.343 2 1HB PRO 1 1HB PRO 1 -15.340 12.962 -1.810 3 2HB PRO 1 2HB PRO 1 -14.107 12.882 -3.111 4 1HG PRO 1 1HG PRO 1 -16.901 14.046 -3.295 5 2HG PRO 1 2HG PRO 1 -15.359 14.839 -3.755 6 1HD PRO 1 1HD PRO 1 -16.911 13.572 -5.602 7 2HD PRO 1 2HD PRO 1 -15.128 13.432 -5.666 8 HA PRO 2 HA PRO 2 -19.425 9.914 -2.255 9 1HB PRO 2 1HB PRO 2 -19.173 7.217 -1.959 10 2HB PRO 2 2HB PRO 2 -19.284 7.985 -3.577 11 1HG PRO 2 1HG PRO 2 -16.765 7.187 -2.090 12 2HG PRO 2 2HG PRO 2 -17.221 6.752 -3.770 13 1HD PRO 2 1HD PRO 2 -15.590 8.871 -3.243 14 2HD PRO 2 2HD PRO 2 -16.838 8.983 -4.521 15 H LEU 3 H LEU 3 -16.508 10.194 -0.767 16 HA LEU 3 HA LEU 3 -15.949 10.424 1.449 17 1HB LEU 3 1HB LEU 3 -18.792 10.545 1.449 18 2HB LEU 3 2HB LEU 3 -18.319 9.467 2.784 19 HG LEU 3 HG LEU 3 -16.477 11.629 2.816 20 1HD1 LEU 3 1HD1 LEU 3 -18.275 13.470 3.240 21 2HD1 LEU 3 2HD1 LEU 3 -17.843 13.088 1.557 22 3HD1 LEU 3 3HD1 LEU 3 -19.343 12.438 2.260 23 1HD2 LEU 3 1HD2 LEU 3 -18.050 12.166 4.912 24 2HD2 LEU 3 2HD2 LEU 3 -18.735 10.577 4.497 25 3HD2 LEU 3 3HD2 LEU 3 -17.004 10.727 4.884 26 H SER 4 H SER 4 -16.580 7.681 -0.199 27 HA SER 4 HA SER 4 -14.909 5.966 1.038 28 1HB SER 4 1HB SER 4 -16.602 4.565 2.462 29 2HB SER 4 2HB SER 4 -15.859 6.016 3.176 30 HG SER 4 HG SER 4 -18.464 5.511 2.544 31 H GLN 5 H GLN 5 -15.168 3.712 0.375 32 HA GLN 5 HA GLN 5 -16.189 1.996 -0.849 33 1HB GLN 5 1HB GLN 5 -18.374 3.426 -0.494 34 2HB GLN 5 2HB GLN 5 -18.071 3.945 -2.169 35 1HG GLN 5 1HG GLN 5 -18.321 1.783 -3.025 36 2HG GLN 5 2HG GLN 5 -17.952 1.014 -1.465 37 1HE2 GLN 5 1HE2 GLN 5 -19.896 -0.283 -1.764 38 2HE2 GLN 5 2HE2 GLN 5 -21.465 0.401 -1.399 39 H GLU 6 H GLU 6 -15.459 5.218 -2.118 40 HA GLU 6 HA GLU 6 -15.116 4.569 -4.840 41 1HB GLU 6 1HB GLU 6 -15.098 6.861 -3.699 42 2HB GLU 6 2HB GLU 6 -13.403 6.523 -3.273 43 1HG GLU 6 1HG GLU 6 -13.957 5.912 -6.078 44 2HG GLU 6 2HG GLU 6 -14.343 7.602 -5.690 45 H THR 7 H THR 7 -12.660 4.664 -2.192 46 HA THR 7 HA THR 7 -10.772 3.230 -3.937 47 HB THR 7 HB THR 7 -9.964 3.665 -1.157 48 HG1 THR 7 1HG THR 7 -10.875 5.844 -2.733 49 1HG2 THR 7 1HG2 THR 7 -8.963 4.863 -3.772 50 2HG2 THR 7 2HG2 THR 7 -8.057 4.691 -2.250 51 3HG2 THR 7 3HG2 THR 7 -8.511 3.245 -3.184 52 H PHE 8 H PHE 8 -10.963 2.714 -0.448 53 HA PHE 8 HA PHE 8 -10.528 0.454 0.346 54 1HB PHE 8 1HB PHE 8 -13.519 0.530 0.020 55 2HB PHE 8 2HB PHE 8 -12.556 -0.009 1.406 56 HD1 PHE 8 1HD PHE 8 -12.665 3.176 -0.595 57 HD2 PHE 8 2HD PHE 8 -12.976 1.307 3.260 58 HE1 PHE 8 1HE PHE 8 -12.938 5.403 0.462 59 HE2 PHE 8 2HE PHE 8 -13.250 3.533 4.317 60 HZ PHE 8 HZ PHE 8 -13.231 5.581 2.918 61 H SER 9 H SER 9 -13.283 0.304 -1.989 62 HA SER 9 HA SER 9 -13.423 -2.300 -2.595 63 1HB SER 9 1HB SER 9 -14.606 -0.420 -3.771 64 2HB SER 9 2HB SER 9 -13.136 -0.166 -4.743 65 HG SER 9 HG SER 9 -14.238 -2.738 -4.548 66 H ASP 10 H ASP 10 -11.050 -0.175 -4.305 67 HA ASP 10 HA ASP 10 -9.447 -2.611 -4.866 68 1HB ASP 10 1HB ASP 10 -9.986 -0.048 -6.242 69 2HB ASP 10 2HB ASP 10 -8.284 -0.557 -6.268 70 H LEU 11 H LEU 11 -9.593 0.261 -2.931 71 HA LEU 11 HA LEU 11 -6.785 0.675 -2.560 72 1HB LEU 11 1HB LEU 11 -8.979 2.095 -1.944 73 2HB LEU 11 2HB LEU 11 -8.731 1.295 -0.374 74 HG LEU 11 HG LEU 11 -6.902 3.185 -1.864 75 1HD1 LEU 11 1HD1 LEU 11 -7.594 4.518 -0.183 76 2HD1 LEU 11 2HD1 LEU 11 -8.510 3.175 0.543 77 3HD1 LEU 11 3HD1 LEU 11 -6.800 3.419 0.971 78 1HD2 LEU 11 1HD2 LEU 11 -5.334 1.486 -1.487 79 2HD2 LEU 11 2HD2 LEU 11 -5.220 2.429 0.019 80 3HD2 LEU 11 3HD2 LEU 11 -6.158 0.916 -0.015 81 H TRP 12 H TRP 12 -9.163 -0.603 -0.163 82 HA TRP 12 HA TRP 12 -7.306 -1.707 1.589 83 1HB TRP 12 1HB TRP 12 -9.183 -2.243 2.654 84 2HB TRP 12 2HB TRP 12 -10.093 -1.677 1.246 85 HD1 TRP 12 HD TRP 12 -11.735 -3.356 0.367 86 HE1 TRP 12 1HE TRP 12 -12.010 -5.888 0.337 87 HE3 TRP 12 3HE TRP 12 -7.381 -4.669 2.717 88 HZ2 TRP 12 2HZ TRP 12 -10.528 -8.210 1.223 89 HZ3 TRP 12 3HZ TRP 12 -6.849 -7.047 3.106 90 HH2 TRP 12 HH TRP 12 -8.407 -8.826 2.367 91 H LYS 13 H LYS 13 -8.658 -3.054 -1.424 92 HA LYS 13 HA LYS 13 -7.509 -5.669 -1.059 93 1HB LYS 13 1HB LYS 13 -9.449 -4.749 -2.634 94 2HB LYS 13 2HB LYS 13 -8.100 -4.533 -3.775 95 1HG LYS 13 1HG LYS 13 -8.123 -7.126 -2.323 96 2HG LYS 13 2HG LYS 13 -9.476 -6.881 -3.453 97 1HD LYS 13 1HD LYS 13 -7.386 -5.956 -4.957 98 2HD LYS 13 2HD LYS 13 -6.572 -7.217 -4.000 99 1HE LYS 13 1HE LYS 13 -7.540 -8.838 -5.222 100 2HE LYS 13 2HE LYS 13 -9.155 -8.175 -4.890 101 1HZ LYS 13 1HZ LYS 13 -9.151 -7.040 -6.802 102 2HZ LYS 13 2HZ LYS 13 -7.517 -6.821 -6.846 103 3HZ LYS 13 3HZ LYS 13 -8.167 -8.275 -7.276 104 H LEU 14 H LEU 14 -6.423 -2.593 -2.446 105 HA LEU 14 HA LEU 14 -4.221 -3.560 -3.937 106 1HB LEU 14 1HB LEU 14 -5.274 -1.021 -2.995 107 2HB LEU 14 2HB LEU 14 -3.500 -1.058 -2.855 108 HG LEU 14 HG LEU 14 -4.723 -0.380 -5.147 109 1HD1 LEU 14 1HD1 LEU 14 -2.646 -1.643 -6.262 110 2HD1 LEU 14 2HD1 LEU 14 -2.411 -0.236 -5.198 111 3HD1 LEU 14 3HD1 LEU 14 -2.188 -1.883 -4.559 112 1HD2 LEU 14 1HD2 LEU 14 -5.542 -2.095 -6.382 113 2HD2 LEU 14 2HD2 LEU 14 -4.159 -3.144 -5.985 114 3HD2 LEU 14 3HD2 LEU 14 -5.539 -3.028 -4.866 115 H LEU 15 H LEU 15 -4.506 -2.525 -0.507 116 HA LEU 15 HA LEU 15 -1.735 -2.951 0.094 117 1HB LEU 15 1HB LEU 15 -4.271 -2.628 1.708 118 2HB LEU 15 2HB LEU 15 -2.727 -3.025 2.499 119 HG LEU 15 HG LEU 15 -3.032 -0.704 0.558 120 1HD1 LEU 15 1HD1 LEU 15 -4.557 -0.466 2.545 121 2HD1 LEU 15 2HD1 LEU 15 -3.134 -0.628 3.603 122 3HD1 LEU 15 3HD1 LEU 15 -3.266 0.759 2.495 123 1HD2 LEU 15 1HD2 LEU 15 -1.049 -0.375 2.612 124 2HD2 LEU 15 2HD2 LEU 15 -0.838 -1.988 1.889 125 3HD2 LEU 15 3HD2 LEU 15 -0.805 -0.539 0.856 126 H LYS 16 H LYS 16 -4.252 -5.100 -0.650 127 HA LYS 16 HA LYS 16 -3.503 -7.237 1.163 128 1HB LYS 16 1HB LYS 16 -5.670 -6.654 -0.490 129 2HB LYS 16 2HB LYS 16 -4.876 -8.021 -1.306 130 1HG LYS 16 1HG LYS 16 -4.756 -8.819 1.322 131 2HG LYS 16 2HG LYS 16 -6.295 -7.924 1.299 132 1HD LYS 16 1HD LYS 16 -6.855 -10.170 0.702 133 2HD LYS 16 2HD LYS 16 -6.859 -9.258 -0.827 134 1HE LYS 16 1HE LYS 16 -4.657 -10.069 -1.399 135 2HE LYS 16 2HE LYS 16 -4.447 -10.794 0.209 136 1HZ LYS 16 1HZ LYS 16 -5.519 -12.573 -0.440 137 2HZ LYS 16 2HZ LYS 16 -6.774 -11.720 -1.086 138 3HZ LYS 16 3HZ LYS 16 -5.426 -12.015 -1.989 139 H LYS 17 H LYS 17 -1.600 -5.824 -0.942 140 HA LYS 17 HA LYS 17 -0.036 -8.201 -1.436 141 1HB LYS 17 1HB LYS 17 -1.058 -8.745 -3.387 142 2HB LYS 17 2HB LYS 17 -1.844 -7.154 -3.531 143 1HG LYS 17 1HG LYS 17 1.118 -7.641 -4.048 144 2HG LYS 17 2HG LYS 17 -0.122 -7.620 -5.324 145 1HD LYS 17 1HD LYS 17 -0.617 -5.294 -3.832 146 2HD LYS 17 2HD LYS 17 1.157 -5.384 -3.936 147 1HE LYS 17 1HE LYS 17 0.405 -6.083 -6.493 148 2HE LYS 17 2HE LYS 17 -0.849 -4.901 -6.058 149 1HZ LYS 17 1HZ LYS 17 1.241 -3.625 -5.226 150 2HZ LYS 17 2HZ LYS 17 1.997 -4.533 -6.376 151 3HZ LYS 17 3HZ LYS 17 0.747 -3.543 -6.797 152 H TRP 18 H TRP 18 -0.718 -4.761 -2.082 153 HA TRP 18 HA TRP 18 2.004 -4.141 -2.828 154 1HB TRP 18 1HB TRP 18 -0.356 -2.915 -3.182 155 2HB TRP 18 2HB TRP 18 0.161 -2.076 -1.713 156 HD1 TRP 18 HD TRP 18 0.352 -1.814 -5.325 157 HE1 TRP 18 1HE TRP 18 2.148 -0.183 -6.099 158 HE3 TRP 18 3HE TRP 18 2.943 -1.326 -0.938 159 HZ2 TRP 18 2HZ TRP 18 4.436 1.176 -4.961 160 HZ3 TRP 18 3HZ TRP 18 4.922 0.143 -0.822 161 HH2 TRP 18 HH TRP 18 5.680 1.397 -2.819 162 H LYS 19 H LYS 19 0.034 -3.863 0.159 163 HA LYS 19 HA LYS 19 1.585 -2.446 1.855 164 1HB LYS 19 1HB LYS 19 -0.482 -3.676 2.478 165 2HB LYS 19 2HB LYS 19 0.442 -5.198 2.478 166 1HG LYS 19 1HG LYS 19 1.858 -4.419 4.279 167 2HG LYS 19 2HG LYS 19 1.172 -2.779 4.179 168 1HD LYS 19 1HD LYS 19 -0.230 -3.490 5.826 169 2HD LYS 19 2HD LYS 19 -1.092 -4.321 4.508 170 1HE LYS 19 1HE LYS 19 0.169 -6.363 4.898 171 2HE LYS 19 2HE LYS 19 1.200 -5.546 6.093 172 1HZ LYS 19 1HZ LYS 19 -0.335 -6.598 7.366 173 2HZ LYS 19 2HZ LYS 19 -1.019 -5.103 7.236 174 3HZ LYS 19 3HZ LYS 19 -1.585 -6.352 6.319 175 H MET 20 H MET 20 2.265 -5.802 0.782 176 HA MET 20 HA MET 20 4.323 -6.623 2.302 177 1HB MET 20 1HB MET 20 4.190 -8.079 0.577 178 2HB MET 20 2HB MET 20 3.661 -6.816 -0.560 179 1HG MET 20 1HG MET 20 6.326 -6.178 0.049 180 2HG MET 20 2HG MET 20 6.318 -7.941 -0.125 181 1HE MET 20 1HE MET 20 4.076 -5.329 -1.530 182 2HE MET 20 2HE MET 20 5.424 -4.477 -2.321 183 3HE MET 20 3HE MET 20 4.255 -5.396 -3.299 184 H ARG 21 H ARG 21 4.585 -4.079 -0.221 185 HA ARG 21 HA ARG 21 7.354 -3.529 0.655 186 1HB ARG 21 1HB ARG 21 5.635 -2.734 -1.701 187 2HB ARG 21 2HB ARG 21 7.116 -1.829 -1.306 188 1HG ARG 21 1HG ARG 21 8.504 -3.694 -1.675 189 2HG ARG 21 2HG ARG 21 7.164 -4.850 -1.483 190 1HD ARG 21 1HD ARG 21 6.236 -3.406 -3.588 191 2HD ARG 21 2HD ARG 21 7.985 -3.247 -3.861 192 HE ARG 21 HE ARG 21 6.372 -5.612 -4.242 193 1HH1 ARG 21 2HH2 ARG 21 9.571 -4.441 -3.297 194 2HH1 ARG 21 1HH2 ARG 21 10.402 -5.899 -3.790 195 1HH2 ARG 21 2HH1 ARG 21 7.470 -7.539 -4.894 196 2HH2 ARG 21 1HH1 ARG 21 9.203 -7.666 -4.700 197 H ARG 22 H ARG 22 4.145 -1.943 0.336 198 HA ARG 22 HA ARG 22 4.981 0.564 1.419 199 1HB ARG 22 1HB ARG 22 2.901 0.119 0.065 200 2HB ARG 22 2HB ARG 22 2.212 -0.692 1.492 201 1HG ARG 22 1HG ARG 22 1.473 1.367 2.095 202 2HG ARG 22 2HG ARG 22 3.164 1.698 2.540 203 1HD ARG 22 1HD ARG 22 1.777 2.318 -0.093 204 2HD ARG 22 2HD ARG 22 2.455 3.474 1.074 205 HE ARG 22 HE ARG 22 4.452 1.623 0.099 206 1HH1 ARG 22 2HH2 ARG 22 2.623 4.553 -0.660 207 2HH1 ARG 22 1HH2 ARG 22 3.838 5.196 -1.741 208 1HH2 ARG 22 2HH1 ARG 22 6.057 2.473 -1.330 209 2HH2 ARG 22 1HH1 ARG 22 5.796 4.010 -2.123 210 H ASN 23 H ASN 23 5.570 -2.122 2.898 211 HA ASN 23 HA ASN 23 4.963 -1.012 5.564 212 1HB ASN 23 1HB ASN 23 3.372 -3.015 4.470 213 2HB ASN 23 2HB ASN 23 4.551 -3.914 5.449 214 1HD2 ASN 23 1HD2 ASN 23 2.105 -1.311 5.512 215 2HD2 ASN 23 2HD2 ASN 23 1.789 -1.395 7.232 216 H GLN 24 H GLN 24 7.251 -1.737 3.518 217 HA GLN 24 HA GLN 24 9.190 -2.367 5.538 218 1HB GLN 24 1HB GLN 24 8.206 -4.561 3.707 219 2HB GLN 24 2HB GLN 24 9.888 -4.548 4.288 220 1HG GLN 24 1HG GLN 24 8.582 -4.047 6.618 221 2HG GLN 24 2HG GLN 24 7.349 -5.016 5.781 222 1HE2 GLN 24 1HE2 GLN 24 7.984 -7.157 4.948 223 2HE2 GLN 24 2HE2 GLN 24 9.243 -8.052 5.772 224 H PHE 25 H PHE 25 9.645 -3.799 2.388 225 HA PHE 25 HA PHE 25 11.913 -2.567 1.628 226 1HB PHE 25 1HB PHE 25 11.151 -4.114 0.102 227 2HB PHE 25 2HB PHE 25 9.501 -3.469 0.104 228 HD1 PHE 25 1HD PHE 25 9.388 -0.913 -0.802 229 HD2 PHE 25 2HD PHE 25 12.374 -3.823 -1.834 230 HE1 PHE 25 1HE PHE 25 9.866 0.322 -2.899 231 HE2 PHE 25 2HE PHE 25 12.853 -2.588 -3.930 232 HZ PHE 25 HZ PHE 25 11.599 -0.516 -4.463 233 H TRP 26 H TRP 26 8.655 -1.112 1.489 234 HA TRP 26 HA TRP 26 9.249 1.194 0.016 235 1HB TRP 26 1HB TRP 26 7.240 2.011 0.803 236 2HB TRP 26 2HB TRP 26 7.032 0.269 1.029 237 HD1 TRP 26 HD TRP 26 6.594 -0.594 3.406 238 HE1 TRP 26 1HE TRP 26 6.280 0.464 5.701 239 HE3 TRP 26 3HE TRP 26 8.142 4.162 2.319 240 HZ2 TRP 26 2HZ TRP 26 6.651 3.060 6.927 241 HZ3 TRP 26 3HZ TRP 26 8.147 5.897 4.074 242 HH2 TRP 26 HH TRP 26 7.407 5.364 6.377 243 H VAL 27 H VAL 27 9.657 0.533 3.520 244 HA VAL 27 HA VAL 27 10.302 2.917 4.597 245 HB VAL 27 HB VAL 27 11.852 1.769 6.057 246 1HG1 VAL 27 1HG1 VAL 27 10.337 -0.638 5.720 247 2HG1 VAL 27 2HG1 VAL 27 10.072 0.673 6.895 248 3HG1 VAL 27 3HG1 VAL 27 9.277 0.730 5.303 249 1HG2 VAL 27 1HG2 VAL 27 12.395 -0.707 5.316 250 2HG2 VAL 27 2HG2 VAL 27 12.094 -0.075 3.679 251 3HG2 VAL 27 3HG2 VAL 27 13.376 0.639 4.687 252 H LYS 28 H LYS 28 12.405 1.050 2.372 253 HA LYS 28 HA LYS 28 14.566 2.955 2.491 254 1HB LYS 28 1HB LYS 28 13.851 0.507 0.943 255 2HB LYS 28 2HB LYS 28 14.993 1.634 0.172 256 1HG LYS 28 1HG LYS 28 15.281 0.554 3.008 257 2HG LYS 28 2HG LYS 28 16.125 -0.107 1.587 258 1HD LYS 28 1HD LYS 28 17.728 1.454 1.862 259 2HD LYS 28 2HD LYS 28 16.516 2.713 1.529 260 1HE LYS 28 1HE LYS 28 17.176 3.358 3.650 261 2HE LYS 28 2HE LYS 28 15.850 2.252 4.068 262 1HZ LYS 28 1HZ LYS 28 18.140 2.017 5.166 263 2HZ LYS 28 2HZ LYS 28 17.297 0.669 4.729 264 3HZ LYS 28 3HZ LYS 28 18.542 1.203 3.790 265 H VAL 29 H VAL 29 11.742 2.423 0.370 266 HA VAL 29 HA VAL 29 12.326 4.076 -1.762 267 HB VAL 29 HB VAL 29 10.206 2.677 -1.198 268 1HG1 VAL 29 1HG1 VAL 29 8.654 5.016 -0.554 269 2HG1 VAL 29 2HG1 VAL 29 8.811 3.501 0.367 270 3HG1 VAL 29 3HG1 VAL 29 9.947 4.841 0.657 271 1HG2 VAL 29 1HG2 VAL 29 10.408 3.784 -3.321 272 2HG2 VAL 29 2HG2 VAL 29 8.817 4.242 -2.667 273 3HG2 VAL 29 3HG2 VAL 29 10.177 5.386 -2.581 274 H GLN 30 H GLN 30 12.082 4.945 1.561 275 HA GLN 30 HA GLN 30 11.548 7.783 0.930 276 1HB GLN 30 1HB GLN 30 10.832 7.962 3.082 277 2HB GLN 30 2HB GLN 30 10.720 6.188 2.991 278 1HG GLN 30 1HG GLN 30 13.088 6.053 3.815 279 2HG GLN 30 2HG GLN 30 13.074 7.817 4.027 280 1HE2 GLN 30 1HE2 GLN 30 13.590 6.154 6.199 281 2HE2 GLN 30 2HE2 GLN 30 12.239 6.206 7.311 282 H ARG 31 H ARG 31 14.052 5.633 2.334 283 HA ARG 31 HA ARG 31 16.190 6.229 3.089 284 1HB ARG 31 1HB ARG 31 16.493 5.404 0.832 285 2HB ARG 31 2HB ARG 31 16.064 6.990 0.147 286 1HG ARG 31 1HG ARG 31 18.463 6.866 0.116 287 2HG ARG 31 2HG ARG 31 18.035 7.950 1.461 288 1HD ARG 31 1HD ARG 31 18.323 4.999 1.990 289 2HD ARG 31 2HD ARG 31 19.789 5.987 1.809 290 HE ARG 31 HE ARG 31 17.959 5.965 4.055 291 1HH1 ARG 31 2HH2 ARG 31 20.202 7.944 2.169 292 2HH1 ARG 31 1HH2 ARG 31 20.564 9.034 3.488 293 1HH2 ARG 31 2HH1 ARG 31 18.438 7.406 5.797 294 2HH2 ARG 31 1HH1 ARG 31 19.558 8.727 5.557 295 H GLY 32 H GLY 32 15.772 7.918 4.606 296 1HA GLY 32 1HA GLY 32 16.673 10.559 3.611 297 2HA GLY 32 2HA GLY 32 15.139 10.461 4.506 Start of MODEL 14 1 HA PRO 1 HA PRO 1 -20.805 7.627 -4.647 2 1HB PRO 1 1HB PRO 1 -18.142 7.764 -5.210 3 2HB PRO 1 2HB PRO 1 -19.365 7.470 -6.489 4 1HG PRO 1 1HG PRO 1 -18.124 10.124 -5.706 5 2HG PRO 1 2HG PRO 1 -18.225 9.412 -7.350 6 1HD PRO 1 1HD PRO 1 -20.065 11.219 -6.469 7 2HD PRO 1 2HD PRO 1 -20.573 9.812 -7.452 8 HA PRO 2 HA PRO 2 -19.708 9.417 -0.725 9 1HB PRO 2 1HB PRO 2 -19.621 7.111 0.724 10 2HB PRO 2 2HB PRO 2 -21.162 7.764 0.077 11 1HG PRO 2 1HG PRO 2 -19.395 5.644 -1.176 12 2HG PRO 2 2HG PRO 2 -21.156 5.539 -0.850 13 1HD PRO 2 1HD PRO 2 -20.204 6.270 -3.298 14 2HD PRO 2 2HD PRO 2 -21.639 7.083 -2.602 15 H LEU 3 H LEU 3 -18.035 8.199 1.109 16 HA LEU 3 HA LEU 3 -15.485 7.957 -0.418 17 1HB LEU 3 1HB LEU 3 -16.066 9.218 2.289 18 2HB LEU 3 2HB LEU 3 -14.433 8.953 1.632 19 HG LEU 3 HG LEU 3 -15.775 10.185 -0.475 20 1HD1 LEU 3 1HD1 LEU 3 -16.521 12.318 0.987 21 2HD1 LEU 3 2HD1 LEU 3 -17.659 11.015 0.570 22 3HD1 LEU 3 3HD1 LEU 3 -16.887 11.043 2.174 23 1HD2 LEU 3 1HD2 LEU 3 -13.446 10.525 0.685 24 2HD2 LEU 3 2HD2 LEU 3 -14.206 11.903 -0.147 25 3HD2 LEU 3 3HD2 LEU 3 -14.292 11.776 1.627 26 H SER 4 H SER 4 -17.334 5.788 0.293 27 HA SER 4 HA SER 4 -15.493 4.279 2.081 28 1HB SER 4 1HB SER 4 -18.521 4.433 2.136 29 2HB SER 4 2HB SER 4 -17.625 3.069 2.848 30 HG SER 4 HG SER 4 -17.473 4.349 4.501 31 H GLN 5 H GLN 5 -15.963 4.609 -0.940 32 HA GLN 5 HA GLN 5 -15.947 1.718 -1.497 33 1HB GLN 5 1HB GLN 5 -17.611 1.921 -3.282 34 2HB GLN 5 2HB GLN 5 -18.323 2.419 -1.728 35 1HG GLN 5 1HG GLN 5 -19.003 4.162 -3.117 36 2HG GLN 5 2HG GLN 5 -17.492 4.817 -2.450 37 1HE2 GLN 5 1HE2 GLN 5 -16.792 6.097 -4.125 38 2HE2 GLN 5 2HE2 GLN 5 -16.425 5.496 -5.728 39 H GLU 6 H GLU 6 -15.757 5.073 -2.774 40 HA GLU 6 HA GLU 6 -14.541 4.753 -5.182 41 1HB GLU 6 1HB GLU 6 -13.027 6.768 -4.298 42 2HB GLU 6 2HB GLU 6 -14.770 6.970 -4.591 43 1HG GLU 6 1HG GLU 6 -15.251 7.159 -2.373 44 2HG GLU 6 2HG GLU 6 -14.073 5.912 -1.911 45 H THR 7 H THR 7 -12.831 4.629 -2.008 46 HA THR 7 HA THR 7 -10.470 3.517 -3.410 47 HB THR 7 HB THR 7 -10.164 3.850 -0.548 48 HG1 THR 7 1HG THR 7 -11.245 5.997 -2.049 49 1HG2 THR 7 1HG2 THR 7 -8.990 5.590 -2.732 50 2HG2 THR 7 2HG2 THR 7 -8.235 5.036 -1.218 51 3HG2 THR 7 3HG2 THR 7 -8.496 3.889 -2.554 52 H PHE 8 H PHE 8 -11.132 2.821 -0.039 53 HA PHE 8 HA PHE 8 -10.630 0.493 0.616 54 1HB PHE 8 1HB PHE 8 -13.616 0.665 0.226 55 2HB PHE 8 2HB PHE 8 -12.707 -0.047 1.570 56 HD1 PHE 8 1HD PHE 8 -12.794 3.320 -0.115 57 HD2 PHE 8 2HD PHE 8 -12.986 1.095 3.555 58 HE1 PHE 8 1HE PHE 8 -13.015 5.438 1.157 59 HE2 PHE 8 2HE PHE 8 -13.208 3.213 4.827 60 HZ PHE 8 HZ PHE 8 -13.223 5.384 3.628 61 H SER 9 H SER 9 -13.291 0.555 -1.830 62 HA SER 9 HA SER 9 -13.455 -2.022 -2.586 63 1HB SER 9 1HB SER 9 -14.497 0.084 -3.652 64 2HB SER 9 2HB SER 9 -13.054 0.116 -4.695 65 HG SER 9 HG SER 9 -14.229 -2.355 -4.452 66 H ASP 10 H ASP 10 -10.979 0.201 -3.995 67 HA ASP 10 HA ASP 10 -9.376 -2.218 -4.660 68 1HB ASP 10 1HB ASP 10 -9.982 0.309 -6.032 69 2HB ASP 10 2HB ASP 10 -8.244 -0.055 -5.978 70 H LEU 11 H LEU 11 -9.596 0.595 -2.658 71 HA LEU 11 HA LEU 11 -6.806 1.070 -2.246 72 1HB LEU 11 1HB LEU 11 -8.926 2.496 -1.647 73 2HB LEU 11 2HB LEU 11 -8.915 1.546 -0.142 74 HG LEU 11 HG LEU 11 -6.938 3.565 -1.149 75 1HD1 LEU 11 1HD1 LEU 11 -7.604 4.541 0.769 76 2HD1 LEU 11 2HD1 LEU 11 -8.675 3.157 1.093 77 3HD1 LEU 11 3HD1 LEU 11 -7.001 3.147 1.697 78 1HD2 LEU 11 1HD2 LEU 11 -5.531 1.595 -1.083 79 2HD2 LEU 11 2HD2 LEU 11 -5.213 2.534 0.396 80 3HD2 LEU 11 3HD2 LEU 11 -6.237 1.081 0.468 81 H TRP 12 H TRP 12 -9.150 -0.331 0.114 82 HA TRP 12 HA TRP 12 -7.272 -1.451 1.826 83 1HB TRP 12 1HB TRP 12 -9.134 -2.078 2.870 84 2HB TRP 12 2HB TRP 12 -10.056 -1.473 1.486 85 HD1 TRP 12 HD TRP 12 -11.655 -3.148 0.519 86 HE1 TRP 12 1HE TRP 12 -11.883 -5.681 0.393 87 HE3 TRP 12 3HE TRP 12 -7.299 -4.468 2.860 88 HZ2 TRP 12 2HZ TRP 12 -10.366 -8.008 1.206 89 HZ3 TRP 12 3HZ TRP 12 -6.726 -6.849 3.165 90 HH2 TRP 12 HH TRP 12 -8.244 -8.627 2.346 91 H LYS 13 H LYS 13 -8.557 -2.711 -1.248 92 HA LYS 13 HA LYS 13 -7.350 -5.315 -0.958 93 1HB LYS 13 1HB LYS 13 -9.306 -4.351 -2.521 94 2HB LYS 13 2HB LYS 13 -7.945 -4.152 -3.651 95 1HG LYS 13 1HG LYS 13 -7.520 -6.684 -2.552 96 2HG LYS 13 2HG LYS 13 -9.287 -6.604 -2.749 97 1HD LYS 13 1HD LYS 13 -7.361 -5.790 -4.954 98 2HD LYS 13 2HD LYS 13 -7.958 -7.456 -4.774 99 1HE LYS 13 1HE LYS 13 -9.489 -6.477 -6.279 100 2HE LYS 13 2HE LYS 13 -10.321 -6.385 -4.711 101 1HZ LYS 13 1HZ LYS 13 -9.791 -4.148 -4.533 102 2HZ LYS 13 2HZ LYS 13 -8.705 -4.189 -5.774 103 3HZ LYS 13 3HZ LYS 13 -10.318 -4.337 -6.085 104 H LEU 14 H LEU 14 -6.343 -2.164 -2.219 105 HA LEU 14 HA LEU 14 -4.136 -2.988 -3.772 106 1HB LEU 14 1HB LEU 14 -5.254 -0.550 -2.733 107 2HB LEU 14 2HB LEU 14 -3.497 -0.546 -2.443 108 HG LEU 14 HG LEU 14 -4.469 0.295 -4.761 109 1HD1 LEU 14 1HD1 LEU 14 -2.377 -0.349 -5.815 110 2HD1 LEU 14 2HD1 LEU 14 -2.055 -0.022 -4.096 111 3HD1 LEU 14 3HD1 LEU 14 -2.169 -1.701 -4.676 112 1HD2 LEU 14 1HD2 LEU 14 -5.393 -2.355 -4.739 113 2HD2 LEU 14 2HD2 LEU 14 -5.329 -1.270 -6.148 114 3HD2 LEU 14 3HD2 LEU 14 -3.982 -2.389 -5.824 115 H LEU 15 H LEU 15 -4.395 -2.195 -0.275 116 HA LEU 15 HA LEU 15 -1.607 -2.654 0.252 117 1HB LEU 15 1HB LEU 15 -3.969 -1.804 1.669 118 2HB LEU 15 2HB LEU 15 -3.160 -3.087 2.599 119 HG LEU 15 HG LEU 15 -0.969 -1.747 2.028 120 1HD1 LEU 15 1HD1 LEU 15 -1.281 0.164 0.875 121 2HD1 LEU 15 2HD1 LEU 15 -3.044 -0.081 0.898 122 3HD1 LEU 15 3HD1 LEU 15 -2.249 0.790 2.231 123 1HD2 LEU 15 1HD2 LEU 15 -1.174 -0.569 4.109 124 2HD2 LEU 15 2HD2 LEU 15 -2.947 -0.491 3.967 125 3HD2 LEU 15 3HD2 LEU 15 -2.147 -2.050 4.279 126 H LYS 16 H LYS 16 -4.122 -4.744 -0.597 127 HA LYS 16 HA LYS 16 -3.417 -6.973 1.113 128 1HB LYS 16 1HB LYS 16 -5.596 -6.335 -0.385 129 2HB LYS 16 2HB LYS 16 -4.771 -7.461 -1.489 130 1HG LYS 16 1HG LYS 16 -4.568 -9.079 0.444 131 2HG LYS 16 2HG LYS 16 -5.594 -7.980 1.397 132 1HD LYS 16 1HD LYS 16 -7.478 -8.362 0.051 133 2HD LYS 16 2HD LYS 16 -6.500 -8.907 -1.333 134 1HE LYS 16 1HE LYS 16 -6.618 -10.428 1.294 135 2HE LYS 16 2HE LYS 16 -7.755 -10.731 -0.038 136 1HZ LYS 16 1HZ LYS 16 -4.842 -11.041 -0.074 137 2HZ LYS 16 2HZ LYS 16 -5.985 -12.216 -0.247 138 3HZ LYS 16 3HZ LYS 16 -5.774 -11.090 -1.433 139 H LYS 17 H LYS 17 -1.468 -5.465 -0.887 140 HA LYS 17 HA LYS 17 0.103 -7.820 -1.458 141 1HB LYS 17 1HB LYS 17 -0.875 -8.276 -3.452 142 2HB LYS 17 2HB LYS 17 -1.670 -6.686 -3.535 143 1HG LYS 17 1HG LYS 17 1.304 -7.132 -4.026 144 2HG LYS 17 2HG LYS 17 0.083 -7.052 -5.318 145 1HD LYS 17 1HD LYS 17 -0.445 -4.806 -3.719 146 2HD LYS 17 2HD LYS 17 1.331 -4.883 -3.802 147 1HE LYS 17 1HE LYS 17 0.535 -3.580 -5.688 148 2HE LYS 17 2HE LYS 17 1.144 -5.135 -6.295 149 1HZ LYS 17 1HZ LYS 17 -1.334 -4.058 -6.680 150 2HZ LYS 17 2HZ LYS 17 -0.822 -5.568 -7.101 151 3HZ LYS 17 3HZ LYS 17 -1.569 -5.325 -5.651 152 H TRP 18 H TRP 18 -0.565 -4.353 -1.963 153 HA TRP 18 HA TRP 18 2.170 -3.704 -2.631 154 1HB TRP 18 1HB TRP 18 -0.188 -2.461 -2.963 155 2HB TRP 18 2HB TRP 18 0.316 -1.686 -1.454 156 HD1 TRP 18 HD TRP 18 0.573 -1.308 -5.063 157 HE1 TRP 18 1HE TRP 18 2.373 0.360 -5.745 158 HE3 TRP 18 3HE TRP 18 3.054 -0.931 -0.602 159 HZ2 TRP 18 2HZ TRP 18 4.622 1.701 -4.512 160 HZ3 TRP 18 3HZ TRP 18 5.017 0.550 -0.395 161 HH2 TRP 18 HH TRP 18 5.813 1.869 -2.335 162 H LYS 19 H LYS 19 0.151 -3.582 0.332 163 HA LYS 19 HA LYS 19 1.668 -2.239 2.120 164 1HB LYS 19 1HB LYS 19 -0.404 -3.502 2.649 165 2HB LYS 19 2HB LYS 19 0.523 -5.020 2.589 166 1HG LYS 19 1HG LYS 19 1.910 -4.328 4.448 167 2HG LYS 19 2HG LYS 19 1.220 -2.688 4.419 168 1HD LYS 19 1HD LYS 19 -0.037 -3.648 6.127 169 2HD LYS 19 2HD LYS 19 -1.071 -4.003 4.723 170 1HE LYS 19 1HE LYS 19 1.091 -5.934 5.593 171 2HE LYS 19 2HE LYS 19 -0.504 -5.940 6.376 172 1HZ LYS 19 1HZ LYS 19 -1.306 -6.011 3.955 173 2HZ LYS 19 2HZ LYS 19 0.202 -6.600 3.639 174 3HZ LYS 19 3HZ LYS 19 -0.790 -7.394 4.691 175 H MET 20 H MET 20 2.364 -5.558 0.936 176 HA MET 20 HA MET 20 4.423 -6.400 2.457 177 1HB MET 20 1HB MET 20 4.307 -7.845 0.726 178 2HB MET 20 2HB MET 20 3.732 -6.585 -0.392 179 1HG MET 20 1HG MET 20 6.405 -5.914 0.184 180 2HG MET 20 2HG MET 20 6.410 -7.672 -0.036 181 1HE MET 20 1HE MET 20 4.313 -5.029 -3.132 182 2HE MET 20 2HE MET 20 4.057 -5.093 -1.372 183 3HE MET 20 3HE MET 20 5.420 -4.163 -2.040 184 H ARG 21 H ARG 21 4.674 -3.835 -0.043 185 HA ARG 21 HA ARG 21 7.451 -3.299 0.806 186 1HB ARG 21 1HB ARG 21 5.689 -2.428 -1.494 187 2HB ARG 21 2HB ARG 21 7.197 -1.563 -1.111 188 1HG ARG 21 1HG ARG 21 8.540 -3.416 -1.600 189 2HG ARG 21 2HG ARG 21 7.216 -4.574 -1.332 190 1HD ARG 21 1HD ARG 21 6.143 -3.190 -3.376 191 2HD ARG 21 2HD ARG 21 7.860 -2.920 -3.744 192 HE ARG 21 HE ARG 21 7.672 -5.641 -3.259 193 1HH1 ARG 21 2HH2 ARG 21 6.114 -3.319 -5.422 194 2HH1 ARG 21 1HH2 ARG 21 5.843 -4.484 -6.699 195 1HH2 ARG 21 2HH1 ARG 21 7.313 -7.180 -4.945 196 2HH2 ARG 21 1HH1 ARG 21 6.526 -6.685 -6.427 197 H ARG 22 H ARG 22 4.234 -1.715 0.602 198 HA ARG 22 HA ARG 22 5.086 0.775 1.708 199 1HB ARG 22 1HB ARG 22 3.001 0.518 0.440 200 2HB ARG 22 2HB ARG 22 2.361 -0.582 1.684 201 1HG ARG 22 1HG ARG 22 1.686 1.944 1.777 202 2HG ARG 22 2HG ARG 22 2.176 1.137 3.286 203 1HD ARG 22 1HD ARG 22 3.239 3.421 2.836 204 2HD ARG 22 2HD ARG 22 4.361 2.094 3.205 205 HE ARG 22 HE ARG 22 5.280 2.351 1.110 206 1HH1 ARG 22 2HH2 ARG 22 2.017 3.712 1.156 207 2HH1 ARG 22 1HH2 ARG 22 2.110 4.343 -0.474 208 1HH2 ARG 22 2HH1 ARG 22 5.402 3.184 -1.042 209 2HH2 ARG 22 1HH1 ARG 22 4.040 4.041 -1.726 210 H ASN 23 H ASN 23 5.762 -1.919 3.118 211 HA ASN 23 HA ASN 23 5.214 -0.872 5.822 212 1HB ASN 23 1HB ASN 23 3.627 -2.878 4.745 213 2HB ASN 23 2HB ASN 23 4.863 -3.783 5.645 214 1HD2 ASN 23 1HD2 ASN 23 2.747 -0.877 6.006 215 2HD2 ASN 23 2HD2 ASN 23 2.363 -1.158 7.691 216 H GLN 24 H GLN 24 7.452 -1.517 3.688 217 HA GLN 24 HA GLN 24 9.471 -2.124 5.634 218 1HB GLN 24 1HB GLN 24 8.470 -4.325 3.820 219 2HB GLN 24 2HB GLN 24 10.171 -4.280 4.342 220 1HG GLN 24 1HG GLN 24 8.936 -3.824 6.720 221 2HG GLN 24 2HG GLN 24 7.697 -4.815 5.919 222 1HE2 GLN 24 1HE2 GLN 24 8.788 -6.759 4.611 223 2HE2 GLN 24 2HE2 GLN 24 9.926 -7.699 5.552 224 H PHE 25 H PHE 25 9.850 -3.523 2.460 225 HA PHE 25 HA PHE 25 12.064 -2.236 1.634 226 1HB PHE 25 1HB PHE 25 11.180 -3.851 0.190 227 2HB PHE 25 2HB PHE 25 9.595 -3.062 0.116 228 HD1 PHE 25 1HD PHE 25 9.749 -0.525 -0.841 229 HD2 PHE 25 2HD PHE 25 12.488 -3.718 -1.707 230 HE1 PHE 25 1HE PHE 25 10.411 0.613 -2.943 231 HE2 PHE 25 2HE PHE 25 13.151 -2.580 -3.808 232 HZ PHE 25 HZ PHE 25 12.112 -0.415 -4.426 233 H TRP 26 H TRP 26 8.758 -0.866 1.538 234 HA TRP 26 HA TRP 26 9.213 1.451 0.082 235 1HB TRP 26 1HB TRP 26 7.265 2.258 1.036 236 2HB TRP 26 2HB TRP 26 7.089 0.510 1.240 237 HD1 TRP 26 HD TRP 26 6.756 -0.384 3.610 238 HE1 TRP 26 1HE TRP 26 6.626 0.617 5.948 239 HE3 TRP 26 3HE TRP 26 8.362 4.358 2.547 240 HZ2 TRP 26 2HZ TRP 26 7.151 3.166 7.215 241 HZ3 TRP 26 3HZ TRP 26 8.533 6.042 4.343 242 HH2 TRP 26 HH TRP 26 7.933 5.464 6.676 243 H VAL 27 H VAL 27 9.913 0.814 3.541 244 HA VAL 27 HA VAL 27 10.614 3.271 4.489 245 HB VAL 27 HB VAL 27 12.139 2.153 5.977 246 1HG1 VAL 27 1HG1 VAL 27 10.598 -0.255 5.751 247 2HG1 VAL 27 2HG1 VAL 27 10.365 1.100 6.882 248 3HG1 VAL 27 3HG1 VAL 27 9.547 1.109 5.301 249 1HG2 VAL 27 1HG2 VAL 27 12.283 0.126 3.726 250 2HG2 VAL 27 2HG2 VAL 27 13.615 0.986 4.536 251 3HG2 VAL 27 3HG2 VAL 27 12.739 -0.305 5.392 252 H LYS 28 H LYS 28 12.632 1.182 2.372 253 HA LYS 28 HA LYS 28 14.881 2.922 2.306 254 1HB LYS 28 1HB LYS 28 13.821 0.743 0.490 255 2HB LYS 28 2HB LYS 28 15.296 1.655 0.090 256 1HG LYS 28 1HG LYS 28 16.498 0.441 1.562 257 2HG LYS 28 2HG LYS 28 15.366 0.848 2.873 258 1HD LYS 28 1HD LYS 28 13.822 -0.954 1.966 259 2HD LYS 28 2HD LYS 28 15.143 -1.438 0.875 260 1HE LYS 28 1HE LYS 28 15.445 -1.235 3.895 261 2HE LYS 28 2HE LYS 28 15.013 -2.740 3.054 262 1HZ LYS 28 1HZ LYS 28 17.088 -2.231 1.705 263 2HZ LYS 28 2HZ LYS 28 17.505 -1.237 2.954 264 3HZ LYS 28 3HZ LYS 28 17.265 -2.846 3.225 265 H VAL 29 H VAL 29 11.882 2.735 0.384 266 HA VAL 29 HA VAL 29 12.473 4.365 -1.760 267 HB VAL 29 HB VAL 29 9.958 4.302 -0.048 268 1HG1 VAL 29 1HG1 VAL 29 10.415 5.318 -2.887 269 2HG1 VAL 29 2HG1 VAL 29 8.839 5.194 -2.068 270 3HG1 VAL 29 3HG1 VAL 29 10.069 6.331 -1.465 271 1HG2 VAL 29 1HG2 VAL 29 10.568 2.930 -2.694 272 2HG2 VAL 29 2HG2 VAL 29 10.816 2.146 -1.116 273 3HG2 VAL 29 3HG2 VAL 29 9.183 2.648 -1.612 274 H GLN 30 H GLN 30 12.580 5.182 1.586 275 HA GLN 30 HA GLN 30 12.351 8.077 1.019 276 1HB GLN 30 1HB GLN 30 11.799 8.318 3.218 277 2HB GLN 30 2HB GLN 30 11.411 6.585 3.092 278 1HG GLN 30 1HG GLN 30 13.800 6.091 3.761 279 2HG GLN 30 2HG GLN 30 14.009 7.828 4.075 280 1HE2 GLN 30 1HE2 GLN 30 14.441 7.371 6.315 281 2HE2 GLN 30 2HE2 GLN 30 13.138 6.979 7.416 282 H ARG 31 H ARG 31 14.637 5.594 2.218 283 HA ARG 31 HA ARG 31 16.869 5.901 2.876 284 1HB ARG 31 1HB ARG 31 16.972 5.110 0.600 285 2HB ARG 31 2HB ARG 31 16.663 6.742 -0.039 286 1HG ARG 31 1HG ARG 31 19.072 6.170 -0.162 287 2HG ARG 31 2HG ARG 31 18.789 7.535 0.944 288 1HD ARG 31 1HD ARG 31 18.620 4.876 2.228 289 2HD ARG 31 2HD ARG 31 20.224 5.261 1.568 290 HE ARG 31 HE ARG 31 19.014 6.390 3.914 291 1HH1 ARG 31 2HH2 ARG 31 21.032 7.177 1.119 292 2HH1 ARG 31 1HH2 ARG 31 21.871 8.485 1.922 293 1HH2 ARG 31 2HH1 ARG 31 20.123 8.118 4.974 294 2HH2 ARG 31 1HH1 ARG 31 21.353 9.022 4.119 295 H GLY 32 H GLY 32 16.787 7.568 4.455 296 1HA GLY 32 1HA GLY 32 17.374 9.606 5.334 297 2HA GLY 32 2HA GLY 32 18.354 9.854 3.871 Start of MODEL 15 1 HA PRO 1 HA PRO 1 -15.297 7.641 4.616 2 1HB PRO 1 1HB PRO 1 -17.308 9.476 4.723 3 2HB PRO 1 2HB PRO 1 -16.645 8.712 6.205 4 1HG PRO 1 1HG PRO 1 -15.870 11.390 5.014 5 2HG PRO 1 2HG PRO 1 -16.365 11.054 6.705 6 1HD PRO 1 1HD PRO 1 -13.737 11.170 5.989 7 2HD PRO 1 2HD PRO 1 -14.306 9.936 7.155 8 HA PRO 2 HA PRO 2 -14.266 9.615 0.604 9 1HB PRO 2 1HB PRO 2 -13.908 7.295 -0.780 10 2HB PRO 2 2HB PRO 2 -12.667 7.921 0.355 11 1HG PRO 2 1HG PRO 2 -14.809 5.855 0.932 12 2HG PRO 2 2HG PRO 2 -13.047 5.707 1.231 13 1HD PRO 2 1HD PRO 2 -14.762 6.487 3.200 14 2HD PRO 2 2HD PRO 2 -13.157 7.261 3.037 15 H LEU 3 H LEU 3 -15.229 8.307 -1.681 16 HA LEU 3 HA LEU 3 -18.015 8.965 -1.548 17 1HB LEU 3 1HB LEU 3 -16.041 8.085 -3.561 18 2HB LEU 3 2HB LEU 3 -17.699 7.514 -3.869 19 HG LEU 3 HG LEU 3 -17.178 9.773 -4.881 20 1HD1 LEU 3 1HD1 LEU 3 -19.250 10.882 -3.856 21 2HD1 LEU 3 2HD1 LEU 3 -19.486 9.243 -4.511 22 3HD1 LEU 3 3HD1 LEU 3 -19.332 9.486 -2.754 23 1HD2 LEU 3 1HD2 LEU 3 -15.731 10.456 -2.887 24 2HD2 LEU 3 2HD2 LEU 3 -16.888 11.684 -3.454 25 3HD2 LEU 3 3HD2 LEU 3 -17.246 10.731 -1.995 26 H SER 4 H SER 4 -16.201 6.130 -0.780 27 HA SER 4 HA SER 4 -16.946 4.146 0.127 28 1HB SER 4 1HB SER 4 -19.808 4.741 -0.579 29 2HB SER 4 2HB SER 4 -19.137 3.920 0.851 30 HG SER 4 HG SER 4 -19.403 6.643 0.300 31 H GLN 5 H GLN 5 -16.364 2.457 -1.094 32 HA GLN 5 HA GLN 5 -16.733 0.742 -2.630 33 1HB GLN 5 1HB GLN 5 -19.178 1.737 -2.675 34 2HB GLN 5 2HB GLN 5 -18.645 2.442 -4.220 35 1HG GLN 5 1HG GLN 5 -17.706 -0.150 -4.405 36 2HG GLN 5 2HG GLN 5 -19.232 -0.368 -3.521 37 1HE2 GLN 5 1HE2 GLN 5 -18.826 -1.368 -6.141 38 2HE2 GLN 5 2HE2 GLN 5 -19.874 -0.495 -7.238 39 H GLU 6 H GLU 6 -16.592 4.147 -3.703 40 HA GLU 6 HA GLU 6 -15.530 3.828 -6.253 41 1HB GLU 6 1HB GLU 6 -16.052 5.933 -4.602 42 2HB GLU 6 2HB GLU 6 -14.272 5.931 -4.574 43 1HG GLU 6 1HG GLU 6 -14.784 7.278 -6.438 44 2HG GLU 6 2HG GLU 6 -14.446 5.688 -7.158 45 H THR 7 H THR 7 -13.773 3.922 -3.109 46 HA THR 7 HA THR 7 -11.300 3.122 -4.511 47 HB THR 7 HB THR 7 -11.144 3.307 -1.606 48 HG1 THR 7 1HG THR 7 -12.217 5.486 -3.077 49 1HG2 THR 7 1HG2 THR 7 -9.310 3.507 -3.356 50 2HG2 THR 7 2HG2 THR 7 -9.989 5.097 -3.781 51 3HG2 THR 7 3HG2 THR 7 -9.338 4.814 -2.148 52 H PHE 8 H PHE 8 -11.973 2.125 -1.212 53 HA PHE 8 HA PHE 8 -11.293 -0.120 -0.582 54 1HB PHE 8 1HB PHE 8 -14.158 -0.465 -1.446 55 2HB PHE 8 2HB PHE 8 -13.355 -1.041 0.025 56 HD1 PHE 8 1HD PHE 8 -13.713 2.334 -1.604 57 HD2 PHE 8 2HD PHE 8 -14.268 -0.070 1.913 58 HE1 PHE 8 1HE PHE 8 -14.538 4.323 -0.374 59 HE2 PHE 8 2HE PHE 8 -15.093 1.919 3.142 60 HZ PHE 8 HZ PHE 8 -15.228 4.116 1.999 61 H SER 9 H SER 9 -13.554 -0.398 -3.389 62 HA SER 9 HA SER 9 -13.118 -2.893 -4.266 63 1HB SER 9 1HB SER 9 -14.413 -1.064 -5.431 64 2HB SER 9 2HB SER 9 -12.874 -0.499 -6.123 65 HG SER 9 HG SER 9 -12.619 -2.577 -7.033 66 H ASP 10 H ASP 10 -10.930 -0.198 -5.273 67 HA ASP 10 HA ASP 10 -8.835 -2.245 -5.778 68 1HB ASP 10 1HB ASP 10 -7.776 -0.508 -7.146 69 2HB ASP 10 2HB ASP 10 -9.456 -0.770 -7.662 70 H LEU 11 H LEU 11 -9.822 0.309 -3.651 71 HA LEU 11 HA LEU 11 -7.243 1.155 -2.752 72 1HB LEU 11 1HB LEU 11 -9.719 2.097 -2.401 73 2HB LEU 11 2HB LEU 11 -9.608 1.129 -0.911 74 HG LEU 11 HG LEU 11 -7.954 3.499 -1.781 75 1HD1 LEU 11 1HD1 LEU 11 -9.884 2.838 0.260 76 2HD1 LEU 11 2HD1 LEU 11 -8.337 3.248 1.038 77 3HD1 LEU 11 3HD1 LEU 11 -9.109 4.406 -0.071 78 1HD2 LEU 11 1HD2 LEU 11 -7.090 1.202 0.014 79 2HD2 LEU 11 2HD2 LEU 11 -6.231 1.879 -1.391 80 3HD2 LEU 11 3HD2 LEU 11 -6.364 2.825 0.112 81 H TRP 12 H TRP 12 -9.655 -0.779 -0.894 82 HA TRP 12 HA TRP 12 -7.902 -1.762 1.019 83 1HB TRP 12 1HB TRP 12 -9.777 -2.746 1.701 84 2HB TRP 12 2HB TRP 12 -10.562 -2.172 0.223 85 HD1 TRP 12 HD TRP 12 -11.710 -3.984 -1.077 86 HE1 TRP 12 1HE TRP 12 -11.494 -6.501 -1.398 87 HE3 TRP 12 3HE TRP 12 -7.578 -4.816 1.827 88 HZ2 TRP 12 2HZ TRP 12 -9.745 -8.628 -0.506 89 HZ3 TRP 12 3HZ TRP 12 -6.668 -7.097 2.067 90 HH2 TRP 12 HH TRP 12 -7.737 -9.009 0.910 91 H LYS 13 H LYS 13 -8.522 -2.953 -2.287 92 HA LYS 13 HA LYS 13 -6.969 -5.354 -1.987 93 1HB LYS 13 1HB LYS 13 -8.726 -4.328 -3.857 94 2HB LYS 13 2HB LYS 13 -7.158 -4.194 -4.690 95 1HG LYS 13 1HG LYS 13 -7.882 -6.735 -3.221 96 2HG LYS 13 2HG LYS 13 -8.515 -6.440 -4.858 97 1HD LYS 13 1HD LYS 13 -5.592 -5.957 -4.398 98 2HD LYS 13 2HD LYS 13 -6.148 -7.647 -4.443 99 1HE LYS 13 1HE LYS 13 -7.344 -7.088 -6.611 100 2HE LYS 13 2HE LYS 13 -6.511 -5.518 -6.585 101 1HZ LYS 13 1HZ LYS 13 -4.486 -6.540 -6.836 102 2HZ LYS 13 2HZ LYS 13 -5.036 -8.031 -6.396 103 3HZ LYS 13 3HZ LYS 13 -5.461 -7.393 -7.856 104 H LEU 14 H LEU 14 -6.277 -1.993 -2.900 105 HA LEU 14 HA LEU 14 -3.716 -2.405 -4.039 106 1HB LEU 14 1HB LEU 14 -5.365 -0.190 -3.092 107 2HB LEU 14 2HB LEU 14 -3.645 0.065 -2.711 108 HG LEU 14 HG LEU 14 -4.694 0.721 -5.103 109 1HD1 LEU 14 1HD1 LEU 14 -2.217 0.649 -4.047 110 2HD1 LEU 14 2HD1 LEU 14 -2.034 -0.652 -5.247 111 3HD1 LEU 14 3HD1 LEU 14 -2.501 0.983 -5.772 112 1HD2 LEU 14 1HD2 LEU 14 -4.987 -0.998 -6.551 113 2HD2 LEU 14 2HD2 LEU 14 -3.481 -1.793 -6.034 114 3HD2 LEU 14 3HD2 LEU 14 -4.984 -2.050 -5.115 115 H LEU 15 H LEU 15 -4.733 -1.713 -0.656 116 HA LEU 15 HA LEU 15 -2.075 -1.732 0.399 117 1HB LEU 15 1HB LEU 15 -4.864 -1.709 1.423 118 2HB LEU 15 2HB LEU 15 -3.647 -2.403 2.522 119 HG LEU 15 HG LEU 15 -2.328 -0.400 2.474 120 1HD1 LEU 15 1HD1 LEU 15 -3.044 -0.150 -0.110 121 2HD1 LEU 15 2HD1 LEU 15 -4.177 1.028 0.596 122 3HD1 LEU 15 3HD1 LEU 15 -2.424 1.224 0.837 123 1HD2 LEU 15 1HD2 LEU 15 -4.718 -0.455 3.641 124 2HD2 LEU 15 2HD2 LEU 15 -3.762 1.046 3.599 125 3HD2 LEU 15 3HD2 LEU 15 -5.088 0.803 2.437 126 H LYS 16 H LYS 16 -4.026 -4.208 -0.879 127 HA LYS 16 HA LYS 16 -3.193 -6.338 0.896 128 1HB LYS 16 1HB LYS 16 -5.158 -6.007 -1.013 129 2HB LYS 16 2HB LYS 16 -3.989 -7.054 -1.853 130 1HG LYS 16 1HG LYS 16 -3.956 -8.429 0.356 131 2HG LYS 16 2HG LYS 16 -5.454 -7.554 0.753 132 1HD LYS 16 1HD LYS 16 -6.569 -8.401 -1.202 133 2HD LYS 16 2HD LYS 16 -5.048 -9.038 -1.871 134 1HE LYS 16 1HE LYS 16 -5.056 -10.876 -0.502 135 2HE LYS 16 2HE LYS 16 -5.795 -9.995 0.852 136 1HZ LYS 16 1HZ LYS 16 -7.701 -10.052 -1.053 137 2HZ LYS 16 2HZ LYS 16 -7.019 -11.549 -1.160 138 3HZ LYS 16 3HZ LYS 16 -7.627 -11.021 0.279 139 H LYS 17 H LYS 17 -1.266 -4.436 -0.759 140 HA LYS 17 HA LYS 17 0.784 -6.437 -1.079 141 1HB LYS 17 1HB LYS 17 0.241 -7.034 -3.194 142 2HB LYS 17 2HB LYS 17 -0.849 -5.643 -3.407 143 1HG LYS 17 1HG LYS 17 2.191 -5.449 -3.454 144 2HG LYS 17 2HG LYS 17 1.181 -5.597 -4.912 145 1HD LYS 17 1HD LYS 17 -0.028 -3.545 -3.419 146 2HD LYS 17 2HD LYS 17 1.719 -3.248 -3.257 147 1HE LYS 17 1HE LYS 17 1.220 -2.125 -5.247 148 2HE LYS 17 2HE LYS 17 1.770 -3.707 -5.840 149 1HZ LYS 17 1HZ LYS 17 -1.052 -3.212 -5.303 150 2HZ LYS 17 2HZ LYS 17 -0.375 -2.744 -6.732 151 3HZ LYS 17 3HZ LYS 17 -0.362 -4.334 -6.296 152 H TRP 18 H TRP 18 -0.446 -3.152 -1.734 153 HA TRP 18 HA TRP 18 2.193 -1.992 -1.970 154 1HB TRP 18 1HB TRP 18 -0.274 -1.219 -2.712 155 2HB TRP 18 2HB TRP 18 -0.168 -0.361 -1.169 156 HD1 TRP 18 HD TRP 18 0.717 -0.052 -4.722 157 HE1 TRP 18 1HE TRP 18 2.220 1.956 -5.159 158 HE3 TRP 18 3HE TRP 18 2.032 1.038 0.103 159 HZ2 TRP 18 2HZ TRP 18 3.807 3.817 -3.611 160 HZ3 TRP 18 3HZ TRP 18 3.539 2.932 0.581 161 HH2 TRP 18 HH TRP 18 4.433 4.328 -1.259 162 H LYS 19 H LYS 19 -0.180 -2.510 0.633 163 HA LYS 19 HA LYS 19 1.100 -0.835 2.562 164 1HB LYS 19 1HB LYS 19 -1.271 -2.125 2.438 165 2HB LYS 19 2HB LYS 19 -0.367 -3.274 3.453 166 1HG LYS 19 1HG LYS 19 -0.099 -0.365 4.111 167 2HG LYS 19 2HG LYS 19 -1.655 -1.142 4.487 168 1HD LYS 19 1HD LYS 19 0.067 -3.043 5.410 169 2HD LYS 19 2HD LYS 19 1.037 -1.576 5.689 170 1HE LYS 19 1HE LYS 19 -0.216 -1.075 7.486 171 2HE LYS 19 2HE LYS 19 -1.671 -1.026 6.467 172 1HZ LYS 19 1HZ LYS 19 -1.321 -2.737 8.418 173 2HZ LYS 19 2HZ LYS 19 -2.249 -3.059 7.094 174 3HZ LYS 19 3HZ LYS 19 -0.706 -3.634 7.178 175 H MET 20 H MET 20 1.603 -4.163 1.459 176 HA MET 20 HA MET 20 3.064 -5.228 3.572 177 1HB MET 20 1HB MET 20 2.491 -6.590 1.682 178 2HB MET 20 2HB MET 20 3.379 -5.526 0.565 179 1HG MET 20 1HG MET 20 5.257 -6.213 2.523 180 2HG MET 20 2HG MET 20 4.354 -7.712 2.245 181 1HE MET 20 1HE MET 20 5.051 -4.826 -0.395 182 2HE MET 20 2HE MET 20 6.458 -4.844 0.695 183 3HE MET 20 3HE MET 20 6.643 -5.337 -1.005 184 H ARG 21 H ARG 21 4.396 -3.444 0.727 185 HA ARG 21 HA ARG 21 7.015 -3.249 1.933 186 1HB ARG 21 1HB ARG 21 7.293 -1.563 -0.018 187 2HB ARG 21 2HB ARG 21 6.984 -3.268 -0.425 188 1HG ARG 21 1HG ARG 21 4.451 -1.973 -0.040 189 2HG ARG 21 2HG ARG 21 5.428 -0.958 -1.129 190 1HD ARG 21 1HD ARG 21 5.924 -3.581 -1.988 191 2HD ARG 21 2HD ARG 21 4.186 -3.563 -1.619 192 HE ARG 21 HE ARG 21 4.686 -1.232 -3.080 193 1HH1 ARG 21 2HH2 ARG 21 5.002 -4.725 -3.522 194 2HH1 ARG 21 1HH2 ARG 21 4.747 -4.667 -5.252 195 1HH2 ARG 21 2HH1 ARG 21 4.349 -1.155 -5.365 196 2HH2 ARG 21 1HH1 ARG 21 4.374 -2.632 -6.302 197 H ARG 22 H ARG 22 4.187 -1.089 1.547 198 HA ARG 22 HA ARG 22 5.363 1.285 2.497 199 1HB ARG 22 1HB ARG 22 3.115 1.074 1.427 200 2HB ARG 22 2HB ARG 22 2.512 0.306 2.915 201 1HG ARG 22 1HG ARG 22 3.889 2.679 3.700 202 2HG ARG 22 2HG ARG 22 2.832 3.117 2.336 203 1HD ARG 22 1HD ARG 22 1.708 3.285 4.581 204 2HD ARG 22 2HD ARG 22 0.897 2.176 3.453 205 HE ARG 22 HE ARG 22 2.526 0.477 4.791 206 1HH1 ARG 22 2HH2 ARG 22 0.353 3.045 5.880 207 2HH1 ARG 22 1HH2 ARG 22 -0.014 2.274 7.407 208 1HH2 ARG 22 2HH1 ARG 22 2.041 -0.540 6.808 209 2HH2 ARG 22 1HH1 ARG 22 0.949 0.230 7.936 210 H ASN 23 H ASN 23 5.670 -1.489 4.038 211 HA ASN 23 HA ASN 23 5.646 -0.181 6.689 212 1HB ASN 23 1HB ASN 23 3.575 -1.827 5.977 213 2HB ASN 23 2HB ASN 23 4.714 -2.991 6.687 214 1HD2 ASN 23 1HD2 ASN 23 3.538 -3.396 8.574 215 2HD2 ASN 23 2HD2 ASN 23 3.303 -2.189 9.820 216 H GLN 24 H GLN 24 7.481 -1.377 4.412 217 HA GLN 24 HA GLN 24 9.541 -2.258 6.212 218 1HB GLN 24 1HB GLN 24 7.984 -4.304 4.622 219 2HB GLN 24 2HB GLN 24 9.702 -4.562 5.009 220 1HG GLN 24 1HG GLN 24 8.801 -3.784 7.444 221 2HG GLN 24 2HG GLN 24 7.317 -4.523 6.805 222 1HE2 GLN 24 1HE2 GLN 24 9.185 -5.403 8.994 223 2HE2 GLN 24 2HE2 GLN 24 9.677 -7.024 8.552 224 H PHE 25 H PHE 25 9.310 -3.820 3.093 225 HA PHE 25 HA PHE 25 11.650 -2.998 2.011 226 1HB PHE 25 1HB PHE 25 10.432 -4.503 0.730 227 2HB PHE 25 2HB PHE 25 8.952 -3.531 0.802 228 HD1 PHE 25 1HD PHE 25 9.318 -1.052 -0.285 229 HD2 PHE 25 2HD PHE 25 11.463 -4.623 -1.330 230 HE1 PHE 25 1HE PHE 25 9.843 -0.086 -2.508 231 HE2 PHE 25 2HE PHE 25 11.988 -3.658 -3.553 232 HZ PHE 25 HZ PHE 25 11.178 -1.389 -4.142 233 H TRP 26 H TRP 26 8.665 -1.064 2.225 234 HA TRP 26 HA TRP 26 9.325 1.048 0.524 235 1HB TRP 26 1HB TRP 26 7.641 2.212 1.581 236 2HB TRP 26 2HB TRP 26 7.223 0.541 1.985 237 HD1 TRP 26 HD TRP 26 7.123 -0.112 4.466 238 HE1 TRP 26 1HE TRP 26 7.404 1.108 6.684 239 HE3 TRP 26 3HE TRP 26 9.113 4.272 2.729 240 HZ2 TRP 26 2HZ TRP 26 8.373 3.674 7.605 241 HZ3 TRP 26 3HZ TRP 26 9.701 6.078 4.304 242 HH2 TRP 26 HH TRP 26 9.339 5.796 6.739 243 H VAL 27 H VAL 27 10.216 0.554 3.972 244 HA VAL 27 HA VAL 27 11.423 2.841 4.704 245 HB VAL 27 HB VAL 27 13.007 1.534 5.988 246 1HG1 VAL 27 1HG1 VAL 27 11.069 -0.581 6.117 247 2HG1 VAL 27 2HG1 VAL 27 11.259 0.810 7.211 248 3HG1 VAL 27 3HG1 VAL 27 10.205 0.939 5.782 249 1HG2 VAL 27 1HG2 VAL 27 12.948 -1.057 5.379 250 2HG2 VAL 27 2HG2 VAL 27 12.547 -0.438 3.759 251 3HG2 VAL 27 3HG2 VAL 27 14.067 0.048 4.546 252 H LYS 28 H LYS 28 12.697 0.558 2.267 253 HA LYS 28 HA LYS 28 15.180 1.960 1.896 254 1HB LYS 28 1HB LYS 28 13.688 -0.280 0.635 255 2HB LYS 28 2HB LYS 28 14.803 0.603 -0.435 256 1HG LYS 28 1HG LYS 28 16.120 0.237 2.083 257 2HG LYS 28 2HG LYS 28 15.431 -1.332 1.600 258 1HD LYS 28 1HD LYS 28 17.472 -1.387 0.476 259 2HD LYS 28 2HD LYS 28 16.422 -0.675 -0.773 260 1HE LYS 28 1HE LYS 28 17.511 1.334 1.072 261 2HE LYS 28 2HE LYS 28 18.783 0.433 0.219 262 1HZ LYS 28 1HZ LYS 28 17.388 2.499 -0.767 263 2HZ LYS 28 2HZ LYS 28 18.264 1.420 -1.655 264 3HZ LYS 28 3HZ LYS 28 16.640 1.205 -1.465 265 H VAL 29 H VAL 29 11.964 2.042 0.330 266 HA VAL 29 HA VAL 29 12.558 3.644 -1.877 267 HB VAL 29 HB VAL 29 10.214 4.211 -1.881 268 1HG1 VAL 29 1HG1 VAL 29 9.212 1.923 -1.244 269 2HG1 VAL 29 2HG1 VAL 29 10.539 1.913 -2.430 270 3HG1 VAL 29 3HG1 VAL 29 10.857 1.473 -0.734 271 1HG2 VAL 29 1HG2 VAL 29 9.402 3.085 0.666 272 2HG2 VAL 29 2HG2 VAL 29 10.596 4.380 0.927 273 3HG2 VAL 29 3HG2 VAL 29 9.104 4.715 0.016 274 H GLN 30 H GLN 30 12.919 4.382 1.439 275 HA GLN 30 HA GLN 30 12.653 7.295 0.977 276 1HB GLN 30 1HB GLN 30 12.368 7.496 3.248 277 2HB GLN 30 2HB GLN 30 11.813 5.816 3.057 278 1HG GLN 30 1HG GLN 30 14.456 5.356 3.318 279 2HG GLN 30 2HG GLN 30 14.353 6.876 4.232 280 1HE2 GLN 30 1HE2 GLN 30 15.096 4.612 5.590 281 2HE2 GLN 30 2HE2 GLN 30 13.798 4.073 6.635 282 H ARG 31 H ARG 31 14.999 4.714 1.405 283 HA ARG 31 HA ARG 31 17.274 5.624 2.350 284 1HB ARG 31 1HB ARG 31 16.882 3.649 0.738 285 2HB ARG 31 2HB ARG 31 17.263 4.800 -0.566 286 1HG ARG 31 1HG ARG 31 19.088 4.494 1.834 287 2HG ARG 31 2HG ARG 31 19.214 3.397 0.438 288 1HD ARG 31 1HD ARG 31 19.076 5.842 -0.805 289 2HD ARG 31 2HD ARG 31 19.950 6.260 0.685 290 HE ARG 31 HE ARG 31 21.035 3.882 -0.528 291 1HH1 ARG 31 2HH2 ARG 31 20.912 7.407 -0.773 292 2HH1 ARG 31 1HH2 ARG 31 22.468 7.543 -1.561 293 1HH2 ARG 31 2HH1 ARG 31 23.089 4.062 -1.570 294 2HH2 ARG 31 1HH1 ARG 31 23.709 5.636 -2.016 295 H GLY 32 H GLY 32 16.098 6.771 -0.867 296 1HA GLY 32 1HA GLY 32 16.322 9.402 -0.780 297 2HA GLY 32 2HA GLY 32 18.050 8.986 -0.739 Start of MODEL 16 1 HA PRO 1 HA PRO 1 -18.346 1.080 4.369 2 1HB PRO 1 1HB PRO 1 -17.673 2.371 6.672 3 2HB PRO 1 2HB PRO 1 -18.640 0.860 6.683 4 1HG PRO 1 1HG PRO 1 -15.644 1.127 7.059 5 2HG PRO 1 2HG PRO 1 -16.802 0.265 8.124 6 1HD PRO 1 1HD PRO 1 -15.376 -1.054 6.211 7 2HD PRO 1 2HD PRO 1 -17.090 -1.471 6.515 8 HA PRO 2 HA PRO 2 -14.479 3.107 2.765 9 1HB PRO 2 1HB PRO 2 -15.294 3.387 0.181 10 2HB PRO 2 2HB PRO 2 -14.670 1.829 0.811 11 1HG PRO 2 1HG PRO 2 -17.568 2.684 0.570 12 2HG PRO 2 2HG PRO 2 -16.825 1.172 -0.045 13 1HD PRO 2 1HD PRO 2 -18.106 1.250 2.359 14 2HD PRO 2 2HD PRO 2 -16.598 0.307 2.165 15 H LEU 3 H LEU 3 -14.882 5.128 0.890 16 HA LEU 3 HA LEU 3 -16.678 6.948 2.410 17 1HB LEU 3 1HB LEU 3 -14.123 7.353 2.130 18 2HB LEU 3 2HB LEU 3 -14.532 7.794 0.454 19 HG LEU 3 HG LEU 3 -16.207 8.991 2.629 20 1HD1 LEU 3 1HD1 LEU 3 -13.717 9.084 3.330 21 2HD1 LEU 3 2HD1 LEU 3 -13.497 10.168 1.935 22 3HD1 LEU 3 3HD1 LEU 3 -14.600 10.628 3.254 23 1HD2 LEU 3 1HD2 LEU 3 -16.746 10.415 0.954 24 2HD2 LEU 3 2HD2 LEU 3 -15.037 10.701 0.547 25 3HD2 LEU 3 3HD2 LEU 3 -15.890 9.293 -0.130 26 H SER 4 H SER 4 -15.387 6.801 -0.957 27 HA SER 4 HA SER 4 -18.191 7.184 -1.898 28 1HB SER 4 1HB SER 4 -15.895 8.876 -2.224 29 2HB SER 4 2HB SER 4 -16.316 8.188 -3.810 30 HG SER 4 HG SER 4 -17.538 10.128 -2.502 31 H GLN 5 H GLN 5 -15.685 5.047 -1.670 32 HA GLN 5 HA GLN 5 -15.487 2.976 -2.690 33 1HB GLN 5 1HB GLN 5 -17.169 2.238 -4.015 34 2HB GLN 5 2HB GLN 5 -17.939 3.801 -3.651 35 1HG GLN 5 1HG GLN 5 -16.486 4.685 -5.649 36 2HG GLN 5 2HG GLN 5 -16.371 2.969 -6.097 37 1HE2 GLN 5 1HE2 GLN 5 -18.440 5.793 -5.877 38 2HE2 GLN 5 2HE2 GLN 5 -19.839 5.096 -6.665 39 H GLU 6 H GLU 6 -15.123 6.053 -4.319 40 HA GLU 6 HA GLU 6 -13.865 5.647 -6.651 41 1HB GLU 6 1HB GLU 6 -13.703 7.587 -4.549 42 2HB GLU 6 2HB GLU 6 -12.054 7.274 -5.142 43 1HG GLU 6 1HG GLU 6 -12.721 7.730 -7.426 44 2HG GLU 6 2HG GLU 6 -14.431 7.834 -6.956 45 H THR 7 H THR 7 -11.839 5.669 -3.666 46 HA THR 7 HA THR 7 -9.926 3.901 -5.043 47 HB THR 7 HB THR 7 -9.262 4.590 -2.299 48 HG1 THR 7 1HG THR 7 -10.005 6.672 -4.081 49 1HG2 THR 7 1HG2 THR 7 -7.393 5.796 -3.621 50 2HG2 THR 7 2HG2 THR 7 -7.531 4.034 -3.831 51 3HG2 THR 7 3HG2 THR 7 -8.170 5.132 -5.078 52 H PHE 8 H PHE 8 -10.417 3.852 -1.551 53 HA PHE 8 HA PHE 8 -10.208 1.632 -0.513 54 1HB PHE 8 1HB PHE 8 -13.166 2.025 -0.878 55 2HB PHE 8 2HB PHE 8 -12.262 1.572 0.577 56 HD1 PHE 8 1HD PHE 8 -12.053 4.455 -1.834 57 HD2 PHE 8 2HD PHE 8 -12.496 3.161 2.238 58 HE1 PHE 8 1HE PHE 8 -12.072 6.819 -1.085 59 HE2 PHE 8 2HE PHE 8 -12.515 5.525 2.987 60 HZ PHE 8 HZ PHE 8 -12.304 7.354 1.325 61 H SER 9 H SER 9 -12.931 1.598 -2.891 62 HA SER 9 HA SER 9 -13.427 -1.019 -3.206 63 1HB SER 9 1HB SER 9 -14.268 0.931 -4.615 64 2HB SER 9 2HB SER 9 -12.809 0.726 -5.614 65 HG SER 9 HG SER 9 -13.484 -1.257 -6.212 66 H ASP 10 H ASP 10 -10.726 0.581 -4.998 67 HA ASP 10 HA ASP 10 -9.480 -2.103 -5.277 68 1HB ASP 10 1HB ASP 10 -8.349 -1.242 -7.178 69 2HB ASP 10 2HB ASP 10 -10.016 -0.641 -7.308 70 H LEU 11 H LEU 11 -9.255 0.966 -3.678 71 HA LEU 11 HA LEU 11 -6.424 1.032 -3.265 72 1HB LEU 11 1HB LEU 11 -8.328 2.837 -2.915 73 2HB LEU 11 2HB LEU 11 -8.383 2.150 -1.274 74 HG LEU 11 HG LEU 11 -5.998 3.393 -2.697 75 1HD1 LEU 11 1HD1 LEU 11 -7.872 4.132 -0.500 76 2HD1 LEU 11 2HD1 LEU 11 -6.154 4.492 -0.209 77 3HD1 LEU 11 3HD1 LEU 11 -6.976 5.172 -1.633 78 1HD2 LEU 11 1HD2 LEU 11 -6.164 1.657 -0.211 79 2HD2 LEU 11 2HD2 LEU 11 -5.082 1.479 -1.613 80 3HD2 LEU 11 3HD2 LEU 11 -4.837 2.817 -0.464 81 H TRP 12 H TRP 12 -8.979 0.390 -0.798 82 HA TRP 12 HA TRP 12 -7.312 -0.767 1.104 83 1HB TRP 12 1HB TRP 12 -9.252 -0.892 2.185 84 2HB TRP 12 2HB TRP 12 -10.063 -0.367 0.703 85 HD1 TRP 12 HD TRP 12 -11.934 -1.877 -0.008 86 HE1 TRP 12 1HE TRP 12 -12.581 -4.327 0.246 87 HE3 TRP 12 3HE TRP 12 -7.828 -3.533 2.559 88 HZ2 TRP 12 2HZ TRP 12 -11.461 -6.723 1.421 89 HZ3 TRP 12 3HZ TRP 12 -7.654 -5.902 3.228 90 HH2 TRP 12 HH TRP 12 -9.457 -7.506 2.668 91 H LYS 13 H LYS 13 -8.845 -2.238 -1.761 92 HA LYS 13 HA LYS 13 -8.104 -4.934 -1.082 93 1HB LYS 13 1HB LYS 13 -9.732 -3.692 -2.962 94 2HB LYS 13 2HB LYS 13 -8.393 -4.336 -3.942 95 1HG LYS 13 1HG LYS 13 -8.967 -6.376 -2.094 96 2HG LYS 13 2HG LYS 13 -10.561 -5.762 -2.597 97 1HD LYS 13 1HD LYS 13 -10.071 -6.141 -4.919 98 2HD LYS 13 2HD LYS 13 -8.352 -6.444 -4.574 99 1HE LYS 13 1HE LYS 13 -9.067 -8.627 -4.694 100 2HE LYS 13 2HE LYS 13 -9.413 -8.325 -2.978 101 1HZ LYS 13 1HZ LYS 13 -11.509 -7.566 -4.749 102 2HZ LYS 13 2HZ LYS 13 -11.180 -9.182 -4.770 103 3HZ LYS 13 3HZ LYS 13 -11.566 -8.437 -3.350 104 H LEU 14 H LEU 14 -6.548 -2.230 -2.759 105 HA LEU 14 HA LEU 14 -4.467 -3.780 -3.986 106 1HB LEU 14 1HB LEU 14 -5.129 -0.920 -3.533 107 2HB LEU 14 2HB LEU 14 -3.395 -1.288 -3.701 108 HG LEU 14 HG LEU 14 -5.160 -0.939 -5.806 109 1HD1 LEU 14 1HD1 LEU 14 -3.327 -2.070 -7.150 110 2HD1 LEU 14 2HD1 LEU 14 -2.756 -0.813 -6.026 111 3HD1 LEU 14 3HD1 LEU 14 -2.574 -2.533 -5.605 112 1HD2 LEU 14 1HD2 LEU 14 -5.903 -3.381 -4.862 113 2HD2 LEU 14 2HD2 LEU 14 -5.980 -2.934 -6.584 114 3HD2 LEU 14 3HD2 LEU 14 -4.593 -3.863 -5.967 115 H LEU 15 H LEU 15 -4.752 -1.957 -0.906 116 HA LEU 15 HA LEU 15 -2.067 -2.359 -0.064 117 1HB LEU 15 1HB LEU 15 -4.681 -1.682 1.271 118 2HB LEU 15 2HB LEU 15 -3.258 -2.063 2.269 119 HG LEU 15 HG LEU 15 -3.264 -0.003 0.025 120 1HD1 LEU 15 1HD1 LEU 15 -3.596 0.303 3.037 121 2HD1 LEU 15 2HD1 LEU 15 -3.217 1.648 1.935 122 3HD1 LEU 15 3HD1 LEU 15 -4.759 0.773 1.775 123 1HD2 LEU 15 1HD2 LEU 15 -1.206 -1.303 1.546 124 2HD2 LEU 15 2HD2 LEU 15 -1.035 0.002 0.348 125 3HD2 LEU 15 3HD2 LEU 15 -1.284 0.397 2.066 126 H LYS 16 H LYS 16 -4.671 -4.550 -0.460 127 HA LYS 16 HA LYS 16 -4.093 -6.352 1.694 128 1HB LYS 16 1HB LYS 16 -6.046 -6.090 -0.263 129 2HB LYS 16 2HB LYS 16 -5.168 -7.557 -0.760 130 1HG LYS 16 1HG LYS 16 -5.466 -8.542 1.451 131 2HG LYS 16 2HG LYS 16 -6.204 -7.041 2.059 132 1HD LYS 16 1HD LYS 16 -8.141 -7.318 0.701 133 2HD LYS 16 2HD LYS 16 -7.352 -8.553 -0.310 134 1HE LYS 16 1HE LYS 16 -7.314 -10.123 1.551 135 2HE LYS 16 2HE LYS 16 -7.943 -8.883 2.658 136 1HZ LYS 16 1HZ LYS 16 -9.989 -9.047 1.783 137 2HZ LYS 16 2HZ LYS 16 -9.476 -9.516 0.287 138 3HZ LYS 16 3HZ LYS 16 -9.491 -10.599 1.531 139 H LYS 17 H LYS 17 -1.904 -5.322 -0.322 140 HA LYS 17 HA LYS 17 -0.309 -7.706 -0.186 141 1HB LYS 17 1HB LYS 17 -0.338 -8.490 -2.349 142 2HB LYS 17 2HB LYS 17 -2.018 -7.912 -2.241 143 1HG LYS 17 1HG LYS 17 -1.026 -7.064 -4.302 144 2HG LYS 17 2HG LYS 17 -1.259 -5.705 -3.176 145 1HD LYS 17 1HD LYS 17 0.956 -5.276 -3.140 146 2HD LYS 17 2HD LYS 17 1.326 -6.970 -2.737 147 1HE LYS 17 1HE LYS 17 1.860 -7.473 -4.878 148 2HE LYS 17 2HE LYS 17 0.440 -6.619 -5.519 149 1HZ LYS 17 1HZ LYS 17 3.104 -5.769 -5.390 150 2HZ LYS 17 2HZ LYS 17 1.823 -5.076 -6.165 151 3HZ LYS 17 3HZ LYS 17 2.137 -4.699 -4.590 152 H TRP 18 H TRP 18 -0.944 -4.480 -1.542 153 HA TRP 18 HA TRP 18 1.809 -3.941 -2.203 154 1HB TRP 18 1HB TRP 18 -0.571 -2.821 -2.836 155 2HB TRP 18 2HB TRP 18 -0.056 -1.721 -1.549 156 HD1 TRP 18 HD TRP 18 0.069 -2.012 -5.119 157 HE1 TRP 18 1HE TRP 18 1.925 -0.627 -6.180 158 HE3 TRP 18 3HE TRP 18 2.865 -1.070 -0.937 159 HZ2 TRP 18 2HZ TRP 18 4.335 0.729 -5.327 160 HZ3 TRP 18 3HZ TRP 18 4.931 0.270 -1.100 161 HH2 TRP 18 HH TRP 18 5.678 1.174 -3.282 162 H LYS 19 H LYS 19 -0.347 -3.067 0.544 163 HA LYS 19 HA LYS 19 1.150 -1.418 2.058 164 1HB LYS 19 1HB LYS 19 -0.080 -2.146 3.862 165 2HB LYS 19 2HB LYS 19 -1.018 -2.912 2.557 166 1HG LYS 19 1HG LYS 19 -0.660 -4.711 4.016 167 2HG LYS 19 2HG LYS 19 0.688 -4.894 2.869 168 1HD LYS 19 1HD LYS 19 1.880 -3.236 4.620 169 2HD LYS 19 2HD LYS 19 0.713 -3.995 5.729 170 1HE LYS 19 1HE LYS 19 2.076 -5.893 3.916 171 2HE LYS 19 2HE LYS 19 3.166 -5.057 5.043 172 1HZ LYS 19 1HZ LYS 19 0.775 -6.609 5.738 173 2HZ LYS 19 2HZ LYS 19 2.345 -7.018 6.036 174 3HZ LYS 19 3HZ LYS 19 1.665 -5.734 6.817 175 H MET 20 H MET 20 1.782 -4.917 1.621 176 HA MET 20 HA MET 20 3.688 -5.522 3.421 177 1HB MET 20 1HB MET 20 3.530 -7.230 1.926 178 2HB MET 20 2HB MET 20 3.309 -6.133 0.542 179 1HG MET 20 1HG MET 20 5.902 -5.595 1.365 180 2HG MET 20 2HG MET 20 5.763 -7.342 1.626 181 1HE MET 20 1HE MET 20 5.142 -5.173 -2.411 182 2HE MET 20 2HE MET 20 3.799 -5.344 -1.255 183 3HE MET 20 3HE MET 20 5.247 -4.412 -0.805 184 H ARG 21 H ARG 21 4.251 -3.479 0.517 185 HA ARG 21 HA ARG 21 6.943 -2.818 1.554 186 1HB ARG 21 1HB ARG 21 5.518 -2.524 -1.094 187 2HB ARG 21 2HB ARG 21 6.965 -1.553 -0.732 188 1HG ARG 21 1HG ARG 21 8.364 -3.384 -0.739 189 2HG ARG 21 2HG ARG 21 7.105 -4.481 -0.123 190 1HD ARG 21 1HD ARG 21 6.879 -5.225 -2.240 191 2HD ARG 21 2HD ARG 21 6.128 -3.658 -2.611 192 HE ARG 21 HE ARG 21 8.794 -3.108 -2.844 193 1HH1 ARG 21 2HH2 ARG 21 6.696 -5.643 -4.136 194 2HH1 ARG 21 1HH2 ARG 21 7.621 -5.850 -5.606 195 1HH2 ARG 21 2HH1 ARG 21 10.017 -3.381 -4.786 196 2HH2 ARG 21 1HH1 ARG 21 9.515 -4.560 -5.976 197 H ARG 22 H ARG 22 3.836 -1.302 0.586 198 HA ARG 22 HA ARG 22 4.634 1.372 1.184 199 1HB ARG 22 1HB ARG 22 2.652 0.602 -0.212 200 2HB ARG 22 2HB ARG 22 1.827 0.218 1.317 201 1HG ARG 22 1HG ARG 22 1.126 2.385 1.222 202 2HG ARG 22 2HG ARG 22 2.759 2.755 1.825 203 1HD ARG 22 1HD ARG 22 1.754 2.804 -1.038 204 2HD ARG 22 2HD ARG 22 2.456 4.137 -0.097 205 HE ARG 22 HE ARG 22 4.225 1.835 -0.509 206 1HH1 ARG 22 2HH2 ARG 22 3.102 4.984 -1.659 207 2HH1 ARG 22 1HH2 ARG 22 4.544 5.309 -2.594 208 1HH2 ARG 22 2HH1 ARG 22 6.130 2.265 -1.744 209 2HH2 ARG 22 1HH1 ARG 22 6.270 3.759 -2.643 210 H ASN 23 H ASN 23 5.002 -0.956 3.248 211 HA ASN 23 HA ASN 23 4.180 0.706 5.551 212 1HB ASN 23 1HB ASN 23 2.664 -1.471 4.784 213 2HB ASN 23 2HB ASN 23 3.778 -2.183 5.971 214 1HD2 ASN 23 1HD2 ASN 23 1.100 0.023 5.445 215 2HD2 ASN 23 2HD2 ASN 23 0.788 0.384 7.130 216 H GLN 24 H GLN 24 6.639 -0.432 3.912 217 HA GLN 24 HA GLN 24 8.401 -0.541 6.171 218 1HB GLN 24 1HB GLN 24 7.542 -3.125 4.861 219 2HB GLN 24 2HB GLN 24 9.177 -2.955 5.543 220 1HG GLN 24 1HG GLN 24 7.696 -1.910 7.575 221 2HG GLN 24 2HG GLN 24 6.535 -3.081 6.914 222 1HE2 GLN 24 1HE2 GLN 24 7.071 -5.335 6.886 223 2HE2 GLN 24 2HE2 GLN 24 8.328 -5.977 7.922 224 H PHE 25 H PHE 25 9.093 -2.690 3.509 225 HA PHE 25 HA PHE 25 11.427 -1.673 2.655 226 1HB PHE 25 1HB PHE 25 10.625 -3.577 1.550 227 2HB PHE 25 2HB PHE 25 9.104 -2.792 1.093 228 HD1 PHE 25 1HD PHE 25 9.503 -0.569 -0.417 229 HD2 PHE 25 2HD PHE 25 12.148 -3.943 -0.145 230 HE1 PHE 25 1HE PHE 25 10.463 0.005 -2.630 231 HE2 PHE 25 2HE PHE 25 13.109 -3.368 -2.358 232 HZ PHE 25 HZ PHE 25 12.266 -1.394 -3.601 233 H TRP 26 H TRP 26 8.212 -0.330 1.817 234 HA TRP 26 HA TRP 26 8.914 1.561 -0.074 235 1HB TRP 26 1HB TRP 26 6.921 2.622 0.447 236 2HB TRP 26 2HB TRP 26 6.645 0.975 1.030 237 HD1 TRP 26 HD TRP 26 6.022 0.672 3.488 238 HE1 TRP 26 1HE TRP 26 5.703 2.197 5.503 239 HE3 TRP 26 3HE TRP 26 7.966 4.991 1.548 240 HZ2 TRP 26 2HZ TRP 26 6.224 4.958 6.199 241 HZ3 TRP 26 3HZ TRP 26 8.037 7.044 2.914 242 HH2 TRP 26 HH TRP 26 7.172 7.045 5.236 243 H VAL 27 H VAL 27 9.242 1.772 3.491 244 HA VAL 27 HA VAL 27 9.954 4.378 3.881 245 HB VAL 27 HB VAL 27 11.260 3.632 5.760 246 1HG1 VAL 27 1HG1 VAL 27 9.632 1.283 5.967 247 2HG1 VAL 27 2HG1 VAL 27 9.347 2.885 6.686 248 3HG1 VAL 27 3HG1 VAL 27 8.703 2.508 5.071 249 1HG2 VAL 27 1HG2 VAL 27 11.507 1.078 4.134 250 2HG2 VAL 27 2HG2 VAL 27 12.808 2.106 4.781 251 3HG2 VAL 27 3HG2 VAL 27 11.823 1.117 5.885 252 H LYS 28 H LYS 28 12.101 1.777 2.626 253 HA LYS 28 HA LYS 28 14.421 3.388 2.380 254 1HB LYS 28 1HB LYS 28 13.443 0.872 1.001 255 2HB LYS 28 2HB LYS 28 15.014 1.611 0.611 256 1HG LYS 28 1HG LYS 28 15.850 0.457 2.369 257 2HG LYS 28 2HG LYS 28 14.954 1.590 3.410 258 1HD LYS 28 1HD LYS 28 12.945 0.069 3.201 259 2HD LYS 28 2HD LYS 28 13.988 -1.098 2.354 260 1HE LYS 28 1HE LYS 28 15.009 -0.018 4.945 261 2HE LYS 28 2HE LYS 28 13.622 -1.126 5.036 262 1HZ LYS 28 1HZ LYS 28 15.341 -2.265 3.281 263 2HZ LYS 28 2HZ LYS 28 16.319 -1.689 4.476 264 3HZ LYS 28 3HZ LYS 28 15.086 -2.720 4.845 265 H VAL 29 H VAL 29 11.598 2.883 0.275 266 HA VAL 29 HA VAL 29 12.523 3.922 -2.128 267 HB VAL 29 HB VAL 29 9.824 4.311 -0.776 268 1HG1 VAL 29 1HG1 VAL 29 9.796 5.871 -2.527 269 2HG1 VAL 29 2HG1 VAL 29 10.874 4.891 -3.549 270 3HG1 VAL 29 3HG1 VAL 29 9.176 4.406 -3.326 271 1HG2 VAL 29 1HG2 VAL 29 10.689 2.305 -2.895 272 2HG2 VAL 29 2HG2 VAL 29 10.694 1.944 -1.152 273 3HG2 VAL 29 3HG2 VAL 29 9.164 2.330 -1.976 274 H GLN 30 H GLN 30 12.350 5.483 0.921 275 HA GLN 30 HA GLN 30 12.352 8.169 -0.350 276 1HB GLN 30 1HB GLN 30 11.596 9.017 1.675 277 2HB GLN 30 2HB GLN 30 10.846 7.402 1.687 278 1HG GLN 30 1HG GLN 30 13.303 6.852 2.771 279 2HG GLN 30 2HG GLN 30 13.033 8.504 3.367 280 1HE2 GLN 30 1HE2 GLN 30 10.137 8.358 3.461 281 2HE2 GLN 30 2HE2 GLN 30 9.714 7.301 4.791 282 H ARG 31 H ARG 31 14.315 5.782 1.299 283 HA ARG 31 HA ARG 31 16.333 6.869 2.574 284 1HB ARG 31 1HB ARG 31 16.246 4.574 1.425 285 2HB ARG 31 2HB ARG 31 16.981 5.375 0.015 286 1HG ARG 31 1HG ARG 31 18.279 5.966 2.623 287 2HG ARG 31 2HG ARG 31 18.417 4.278 2.074 288 1HD ARG 31 1HD ARG 31 19.622 4.848 0.177 289 2HD ARG 31 2HD ARG 31 18.908 6.473 0.082 290 HE ARG 31 HE ARG 31 20.399 6.486 2.424 291 1HH1 ARG 31 2HH2 ARG 31 20.997 5.846 -1.001 292 2HH1 ARG 31 1HH2 ARG 31 22.655 6.403 -0.957 293 1HH2 ARG 31 2HH1 ARG 31 22.589 7.221 2.483 294 2HH2 ARG 31 1HH1 ARG 31 23.562 7.186 1.030 295 H GLY 32 H GLY 32 16.897 8.997 2.476 296 1HA GLY 32 1HA GLY 32 18.163 9.892 -0.062 297 2HA GLY 32 2HA GLY 32 16.962 10.921 0.752 Start of MODEL 17 1 HA PRO 1 HA PRO 1 -21.908 4.238 -3.599 2 1HB PRO 1 1HB PRO 1 -19.244 4.412 -4.144 3 2HB PRO 1 2HB PRO 1 -20.360 3.458 -5.175 4 1HG PRO 1 1HG PRO 1 -19.426 6.308 -5.623 5 2HG PRO 1 2HG PRO 1 -19.365 4.947 -6.790 6 1HD PRO 1 1HD PRO 1 -21.418 6.740 -6.804 7 2HD PRO 1 2HD PRO 1 -21.732 4.999 -7.075 8 HA PRO 2 HA PRO 2 -21.010 7.424 -0.681 9 1HB PRO 2 1HB PRO 2 -19.970 5.951 1.362 10 2HB PRO 2 2HB PRO 2 -21.682 5.784 0.851 11 1HG PRO 2 1HG PRO 2 -19.333 4.067 -0.003 12 2HG PRO 2 2HG PRO 2 -20.900 3.510 0.668 13 1HD PRO 2 1HD PRO 2 -20.454 3.594 -2.019 14 2HD PRO 2 2HD PRO 2 -22.040 4.079 -1.348 15 H LEU 3 H LEU 3 -18.889 7.569 1.084 16 HA LEU 3 HA LEU 3 -16.688 8.177 -0.758 17 1HB LEU 3 1HB LEU 3 -17.324 8.776 2.139 18 2HB LEU 3 2HB LEU 3 -15.699 9.067 1.473 19 HG LEU 3 HG LEU 3 -16.964 10.309 -0.448 20 1HD1 LEU 3 1HD1 LEU 3 -19.068 10.093 1.736 21 2HD1 LEU 3 2HD1 LEU 3 -19.095 11.379 0.506 22 3HD1 LEU 3 3HD1 LEU 3 -19.225 9.674 0.013 23 1HD2 LEU 3 1HD2 LEU 3 -16.364 11.170 2.352 24 2HD2 LEU 3 2HD2 LEU 3 -15.712 11.772 0.809 25 3HD2 LEU 3 3HD2 LEU 3 -17.323 12.294 1.358 26 H SER 4 H SER 4 -17.692 5.616 1.303 27 HA SER 4 HA SER 4 -14.959 4.687 1.849 28 1HB SER 4 1HB SER 4 -16.046 2.939 3.117 29 2HB SER 4 2HB SER 4 -16.849 4.479 3.503 30 HG SER 4 HG SER 4 -18.611 3.665 2.748 31 H GLN 5 H GLN 5 -16.292 4.949 -0.941 32 HA GLN 5 HA GLN 5 -15.764 2.133 -1.772 33 1HB GLN 5 1HB GLN 5 -18.168 3.198 -1.978 34 2HB GLN 5 2HB GLN 5 -17.460 4.031 -3.383 35 1HG GLN 5 1HG GLN 5 -17.036 2.025 -4.523 36 2HG GLN 5 2HG GLN 5 -17.078 1.056 -3.034 37 1HE2 GLN 5 1HE2 GLN 5 -18.625 1.095 -5.750 38 2HE2 GLN 5 2HE2 GLN 5 -20.298 0.956 -5.256 39 H GLU 6 H GLU 6 -15.718 5.577 -2.846 40 HA GLU 6 HA GLU 6 -14.395 5.600 -5.152 41 1HB GLU 6 1HB GLU 6 -14.783 7.632 -3.870 42 2HB GLU 6 2HB GLU 6 -13.567 7.146 -2.665 43 1HG GLU 6 1HG GLU 6 -12.139 6.947 -5.011 44 2HG GLU 6 2HG GLU 6 -13.209 8.323 -5.359 45 H THR 7 H THR 7 -12.437 5.453 -2.118 46 HA THR 7 HA THR 7 -10.282 4.166 -3.673 47 HB THR 7 HB THR 7 -9.742 4.577 -0.845 48 HG1 THR 7 1HG THR 7 -10.631 6.443 -0.591 49 1HG2 THR 7 1HG2 THR 7 -8.020 6.156 -1.955 50 2HG2 THR 7 2HG2 THR 7 -7.937 4.431 -2.387 51 3HG2 THR 7 3HG2 THR 7 -8.691 5.594 -3.505 52 H PHE 8 H PHE 8 -10.874 3.619 -0.227 53 HA PHE 8 HA PHE 8 -10.337 1.293 0.483 54 1HB PHE 8 1HB PHE 8 -13.332 1.467 0.235 55 2HB PHE 8 2HB PHE 8 -12.350 0.867 1.582 56 HD1 PHE 8 1HD PHE 8 -12.462 4.100 -0.343 57 HD2 PHE 8 2HD PHE 8 -12.638 2.150 3.481 58 HE1 PHE 8 1HE PHE 8 -12.643 6.307 0.774 59 HE2 PHE 8 2HE PHE 8 -12.820 4.357 4.598 60 HZ PHE 8 HZ PHE 8 -12.822 6.435 3.244 61 H SER 9 H SER 9 -13.109 1.334 -1.838 62 HA SER 9 HA SER 9 -13.387 -1.249 -2.502 63 1HB SER 9 1HB SER 9 -14.398 0.825 -3.622 64 2HB SER 9 2HB SER 9 -12.967 0.820 -4.680 65 HG SER 9 HG SER 9 -15.031 -0.457 -5.219 66 H ASP 10 H ASP 10 -10.858 0.812 -4.057 67 HA ASP 10 HA ASP 10 -9.401 -1.692 -4.726 68 1HB ASP 10 1HB ASP 10 -8.204 -0.255 -6.362 69 2HB ASP 10 2HB ASP 10 -9.959 -0.286 -6.639 70 H LEU 11 H LEU 11 -9.379 1.190 -2.769 71 HA LEU 11 HA LEU 11 -6.566 1.423 -2.360 72 1HB LEU 11 1HB LEU 11 -8.591 3.004 -1.756 73 2HB LEU 11 2HB LEU 11 -8.585 2.091 -0.228 74 HG LEU 11 HG LEU 11 -6.314 3.707 -1.447 75 1HD1 LEU 11 1HD1 LEU 11 -6.544 4.401 1.186 76 2HD1 LEU 11 2HD1 LEU 11 -7.400 5.234 -0.134 77 3HD1 LEU 11 3HD1 LEU 11 -8.232 3.978 0.814 78 1HD2 LEU 11 1HD2 LEU 11 -6.248 1.872 0.987 79 2HD2 LEU 11 2HD2 LEU 11 -5.495 1.508 -0.584 80 3HD2 LEU 11 3HD2 LEU 11 -4.911 2.881 0.386 81 H TRP 12 H TRP 12 -9.009 0.229 0.014 82 HA TRP 12 HA TRP 12 -7.207 -1.021 1.729 83 1HB TRP 12 1HB TRP 12 -9.106 -1.450 2.804 84 2HB TRP 12 2HB TRP 12 -9.992 -0.810 1.412 85 HD1 TRP 12 HD TRP 12 -11.747 -2.372 0.539 86 HE1 TRP 12 1HE TRP 12 -12.175 -4.882 0.474 87 HE3 TRP 12 3HE TRP 12 -7.448 -3.983 2.801 88 HZ2 TRP 12 2HZ TRP 12 -10.823 -7.304 1.301 89 HZ3 TRP 12 3HZ TRP 12 -7.054 -6.394 3.145 90 HH2 TRP 12 HH TRP 12 -8.727 -8.064 2.403 91 H LYS 13 H LYS 13 -8.686 -2.227 -1.287 92 HA LYS 13 HA LYS 13 -7.717 -4.916 -0.991 93 1HB LYS 13 1HB LYS 13 -9.501 -3.627 -2.638 94 2HB LYS 13 2HB LYS 13 -8.117 -3.875 -3.731 95 1HG LYS 13 1HG LYS 13 -8.396 -6.278 -2.241 96 2HG LYS 13 2HG LYS 13 -10.037 -5.815 -2.750 97 1HD LYS 13 1HD LYS 13 -9.492 -6.773 -4.737 98 2HD LYS 13 2HD LYS 13 -8.541 -5.296 -5.023 99 1HE LYS 13 1HE LYS 13 -7.166 -7.304 -3.347 100 2HE LYS 13 2HE LYS 13 -7.523 -7.867 -4.994 101 1HZ LYS 13 1HZ LYS 13 -5.673 -6.789 -5.467 102 2HZ LYS 13 2HZ LYS 13 -6.597 -5.424 -5.422 103 3HZ LYS 13 3HZ LYS 13 -5.702 -5.856 -4.107 104 H LEU 14 H LEU 14 -6.377 -1.888 -2.221 105 HA LEU 14 HA LEU 14 -4.227 -3.039 -3.718 106 1HB LEU 14 1HB LEU 14 -5.143 -0.399 -2.852 107 2HB LEU 14 2HB LEU 14 -3.370 -0.546 -2.788 108 HG LEU 14 HG LEU 14 -4.563 0.158 -5.044 109 1HD1 LEU 14 1HD1 LEU 14 -2.683 -1.996 -5.703 110 2HD1 LEU 14 2HD1 LEU 14 -2.510 -0.236 -5.910 111 3HD1 LEU 14 3HD1 LEU 14 -2.109 -0.993 -4.349 112 1HD2 LEU 14 1HD2 LEU 14 -5.584 -2.485 -4.595 113 2HD2 LEU 14 2HD2 LEU 14 -5.872 -1.415 -5.988 114 3HD2 LEU 14 3HD2 LEU 14 -4.501 -2.550 -6.006 115 H LEU 15 H LEU 15 -4.509 -1.802 -0.351 116 HA LEU 15 HA LEU 15 -1.807 -2.240 0.376 117 1HB LEU 15 1HB LEU 15 -4.426 -1.966 1.837 118 2HB LEU 15 2HB LEU 15 -2.973 -2.470 2.734 119 HG LEU 15 HG LEU 15 -3.357 0.070 1.101 120 1HD1 LEU 15 1HD1 LEU 15 -4.253 0.124 3.393 121 2HD1 LEU 15 2HD1 LEU 15 -2.703 -0.480 4.028 122 3HD1 LEU 15 3HD1 LEU 15 -2.791 1.134 3.282 123 1HD2 LEU 15 1HD2 LEU 15 -0.908 0.349 2.234 124 2HD2 LEU 15 2HD2 LEU 15 -0.906 -1.409 1.954 125 3HD2 LEU 15 3HD2 LEU 15 -1.147 -0.291 0.590 126 H LYS 16 H LYS 16 -4.356 -4.448 -0.335 127 HA LYS 16 HA LYS 16 -3.453 -6.596 1.383 128 1HB LYS 16 1HB LYS 16 -5.713 -6.035 -0.163 129 2HB LYS 16 2HB LYS 16 -4.933 -7.391 -1.014 130 1HG LYS 16 1HG LYS 16 -4.680 -8.385 1.423 131 2HG LYS 16 2HG LYS 16 -6.009 -7.264 1.803 132 1HD LYS 16 1HD LYS 16 -7.449 -8.777 0.954 133 2HD LYS 16 2HD LYS 16 -6.713 -8.513 -0.645 134 1HE LYS 16 1HE LYS 16 -5.344 -10.335 1.326 135 2HE LYS 16 2HE LYS 16 -6.757 -10.934 0.431 136 1HZ LYS 16 1HZ LYS 16 -4.120 -10.344 -0.499 137 2HZ LYS 16 2HZ LYS 16 -5.239 -11.407 -1.081 138 3HZ LYS 16 3HZ LYS 16 -5.329 -9.811 -1.486 139 H LYS 17 H LYS 17 -1.674 -5.113 -0.761 140 HA LYS 17 HA LYS 17 -0.105 -7.452 -1.398 141 1HB LYS 17 1HB LYS 17 -1.158 -7.957 -3.334 142 2HB LYS 17 2HB LYS 17 -2.044 -6.413 -3.358 143 1HG LYS 17 1HG LYS 17 0.891 -6.756 -4.108 144 2HG LYS 17 2HG LYS 17 -0.451 -6.623 -5.270 145 1HD LYS 17 1HD LYS 17 -0.766 -4.468 -3.448 146 2HD LYS 17 2HD LYS 17 0.963 -4.516 -3.866 147 1HE LYS 17 1HE LYS 17 -0.332 -4.989 -6.298 148 2HE LYS 17 2HE LYS 17 -1.341 -3.755 -5.512 149 1HZ LYS 17 1HZ LYS 17 0.171 -2.284 -6.005 150 2HZ LYS 17 2HZ LYS 17 1.328 -3.101 -5.160 151 3HZ LYS 17 3HZ LYS 17 1.093 -3.424 -6.760 152 H TRP 18 H TRP 18 -0.800 -4.030 -1.421 153 HA TRP 18 HA TRP 18 1.900 -3.360 -2.391 154 1HB TRP 18 1HB TRP 18 -0.534 -2.160 -2.670 155 2HB TRP 18 2HB TRP 18 0.119 -1.266 -1.290 156 HD1 TRP 18 HD TRP 18 -0.022 -1.120 -4.894 157 HE1 TRP 18 1HE TRP 18 1.752 0.407 -5.897 158 HE3 TRP 18 3HE TRP 18 3.026 -0.634 -0.811 159 HZ2 TRP 18 2HZ TRP 18 4.201 1.690 -5.040 160 HZ3 TRP 18 3HZ TRP 18 5.067 0.746 -0.942 161 HH2 TRP 18 HH TRP 18 5.668 1.912 -3.044 162 H LYS 19 H LYS 19 -0.117 -3.119 0.569 163 HA LYS 19 HA LYS 19 1.488 -1.700 2.264 164 1HB LYS 19 1HB LYS 19 -0.726 -2.920 2.725 165 2HB LYS 19 2HB LYS 19 0.268 -4.352 3.084 166 1HG LYS 19 1HG LYS 19 1.420 -3.207 4.864 167 2HG LYS 19 2HG LYS 19 0.713 -1.642 4.395 168 1HD LYS 19 1HD LYS 19 -0.625 -2.318 6.220 169 2HD LYS 19 2HD LYS 19 -1.583 -2.813 4.804 170 1HE LYS 19 1HE LYS 19 -0.159 -5.053 5.068 171 2HE LYS 19 2HE LYS 19 -0.027 -4.494 6.750 172 1HZ LYS 19 1HZ LYS 19 -2.643 -4.438 5.541 173 2HZ LYS 19 2HZ LYS 19 -2.020 -5.923 5.894 174 3HZ LYS 19 3HZ LYS 19 -2.196 -4.799 7.087 175 H MET 20 H MET 20 1.816 -5.234 1.602 176 HA MET 20 HA MET 20 3.861 -6.010 3.149 177 1HB MET 20 1HB MET 20 4.803 -7.147 0.975 178 2HB MET 20 2HB MET 20 3.179 -7.579 1.562 179 1HG MET 20 1HG MET 20 2.357 -6.962 -0.426 180 2HG MET 20 2HG MET 20 2.806 -5.294 -0.034 181 1HE MET 20 1HE MET 20 4.855 -4.251 -2.715 182 2HE MET 20 2HE MET 20 3.183 -4.788 -3.010 183 3HE MET 20 3HE MET 20 3.610 -4.013 -1.465 184 H ARG 21 H ARG 21 4.221 -3.867 0.297 185 HA ARG 21 HA ARG 21 7.085 -3.521 0.916 186 1HB ARG 21 1HB ARG 21 5.258 -2.921 -1.387 187 2HB ARG 21 2HB ARG 21 6.716 -1.921 -1.185 188 1HG ARG 21 1HG ARG 21 8.024 -4.111 -0.962 189 2HG ARG 21 2HG ARG 21 6.550 -4.939 -1.517 190 1HD ARG 21 1HD ARG 21 8.252 -4.340 -3.332 191 2HD ARG 21 2HD ARG 21 6.582 -3.805 -3.617 192 HE ARG 21 HE ARG 21 8.293 -1.838 -2.282 193 1HH1 ARG 21 2HH2 ARG 21 7.067 -3.136 -5.333 194 2HH1 ARG 21 1HH2 ARG 21 7.366 -1.668 -6.236 195 1HH2 ARG 21 2HH1 ARG 21 8.689 0.101 -3.475 196 2HH2 ARG 21 1HH1 ARG 21 8.291 0.178 -5.176 197 H ARG 22 H ARG 22 4.061 -1.592 0.617 198 HA ARG 22 HA ARG 22 5.256 0.874 1.421 199 1HB ARG 22 1HB ARG 22 3.131 0.772 0.211 200 2HB ARG 22 2HB ARG 22 2.381 -0.115 1.560 201 1HG ARG 22 1HG ARG 22 2.032 2.475 1.409 202 2HG ARG 22 2HG ARG 22 2.435 1.757 2.987 203 1HD ARG 22 1HD ARG 22 3.778 3.829 2.339 204 2HD ARG 22 2HD ARG 22 4.732 2.403 2.800 205 HE ARG 22 HE ARG 22 5.624 2.373 0.678 206 1HH1 ARG 22 2HH2 ARG 22 2.566 4.148 0.661 207 2HH1 ARG 22 1HH2 ARG 22 2.700 4.634 -1.014 208 1HH2 ARG 22 2HH1 ARG 22 5.800 3.014 -1.536 209 2HH2 ARG 22 1HH1 ARG 22 4.543 3.987 -2.266 210 H ASN 23 H ASN 23 5.670 -1.675 3.121 211 HA ASN 23 HA ASN 23 5.317 -0.282 5.692 212 1HB ASN 23 1HB ASN 23 3.480 -2.228 4.845 213 2HB ASN 23 2HB ASN 23 4.578 -3.089 5.945 214 1HD2 ASN 23 1HD2 ASN 23 1.990 -2.834 6.750 215 2HD2 ASN 23 2HD2 ASN 23 1.850 -1.649 8.030 216 H GLN 24 H GLN 24 7.409 -1.405 3.647 217 HA GLN 24 HA GLN 24 9.324 -2.171 5.663 218 1HB GLN 24 1HB GLN 24 8.134 -4.268 3.830 219 2HB GLN 24 2HB GLN 24 9.780 -4.427 4.490 220 1HG GLN 24 1HG GLN 24 8.511 -3.806 6.768 221 2HG GLN 24 2HG GLN 24 7.131 -4.508 5.897 222 1HE2 GLN 24 1HE2 GLN 24 7.309 -6.719 5.089 223 2HE2 GLN 24 2HE2 GLN 24 8.386 -7.850 5.882 224 H PHE 25 H PHE 25 9.646 -3.708 2.567 225 HA PHE 25 HA PHE 25 11.998 -2.651 1.774 226 1HB PHE 25 1HB PHE 25 10.995 -4.298 0.417 227 2HB PHE 25 2HB PHE 25 9.532 -3.330 0.167 228 HD1 PHE 25 1HD PHE 25 10.066 -0.916 -0.951 229 HD2 PHE 25 2HD PHE 25 12.443 -4.469 -1.373 230 HE1 PHE 25 1HE PHE 25 11.010 -0.033 -3.068 231 HE2 PHE 25 2HE PHE 25 13.387 -3.586 -3.489 232 HZ PHE 25 HZ PHE 25 12.671 -1.368 -4.337 233 H TRP 26 H TRP 26 8.799 -1.084 1.284 234 HA TRP 26 HA TRP 26 9.467 1.099 -0.228 235 1HB TRP 26 1HB TRP 26 7.573 2.120 0.620 236 2HB TRP 26 2HB TRP 26 7.259 0.411 0.956 237 HD1 TRP 26 HD TRP 26 6.817 -0.262 3.379 238 HE1 TRP 26 1HE TRP 26 6.734 0.927 5.630 239 HE3 TRP 26 3HE TRP 26 8.819 4.238 1.989 240 HZ2 TRP 26 2HZ TRP 26 7.447 3.516 6.707 241 HZ3 TRP 26 3HZ TRP 26 9.101 6.038 3.652 242 HH2 TRP 26 HH TRP 26 8.422 5.695 6.010 243 H VAL 27 H VAL 27 10.063 0.662 3.282 244 HA VAL 27 HA VAL 27 10.948 3.130 4.051 245 HB VAL 27 HB VAL 27 12.360 2.002 5.658 246 1HG1 VAL 27 1HG1 VAL 27 10.588 -0.216 5.711 247 2HG1 VAL 27 2HG1 VAL 27 10.430 1.317 6.601 248 3HG1 VAL 27 3HG1 VAL 27 9.672 1.135 5.001 249 1HG2 VAL 27 1HG2 VAL 27 12.585 -0.598 5.260 250 2HG2 VAL 27 2HG2 VAL 27 12.339 -0.161 3.552 251 3HG2 VAL 27 3HG2 VAL 27 13.714 0.519 4.455 252 H LYS 28 H LYS 28 12.795 0.710 2.146 253 HA LYS 28 HA LYS 28 15.204 2.226 2.019 254 1HB LYS 28 1HB LYS 28 13.993 0.029 0.317 255 2HB LYS 28 2HB LYS 28 15.578 0.748 -0.052 256 1HG LYS 28 1HG LYS 28 14.877 -0.355 2.693 257 2HG LYS 28 2HG LYS 28 15.612 -1.354 1.417 258 1HD LYS 28 1HD LYS 28 17.605 -0.597 2.187 259 2HD LYS 28 2HD LYS 28 17.182 0.946 1.405 260 1HE LYS 28 1HE LYS 28 16.997 1.961 3.403 261 2HE LYS 28 2HE LYS 28 15.827 0.741 3.953 262 1HZ LYS 28 1HZ LYS 28 18.658 0.094 3.912 263 2HZ LYS 28 2HZ LYS 28 18.061 1.018 5.140 264 3HZ LYS 28 3HZ LYS 28 17.460 -0.495 4.879 265 H VAL 29 H VAL 29 12.235 2.168 0.047 266 HA VAL 29 HA VAL 29 13.017 3.550 -2.209 267 HB VAL 29 HB VAL 29 10.479 3.863 -0.560 268 1HG1 VAL 29 1HG1 VAL 29 10.045 5.568 -1.990 269 2HG1 VAL 29 2HG1 VAL 29 11.438 5.163 -3.021 270 3HG1 VAL 29 3HG1 VAL 29 9.889 4.314 -3.243 271 1HG2 VAL 29 1HG2 VAL 29 9.577 2.166 -2.000 272 2HG2 VAL 29 2HG2 VAL 29 10.992 2.236 -3.078 273 3HG2 VAL 29 3HG2 VAL 29 11.154 1.558 -1.439 274 H GLN 30 H GLN 30 13.160 4.622 1.060 275 HA GLN 30 HA GLN 30 13.218 7.471 0.255 276 1HB GLN 30 1HB GLN 30 12.647 7.947 2.411 277 2HB GLN 30 2HB GLN 30 12.092 6.255 2.414 278 1HG GLN 30 1HG GLN 30 14.404 5.589 3.193 279 2HG GLN 30 2HG GLN 30 14.780 7.316 3.368 280 1HE2 GLN 30 1HE2 GLN 30 15.135 6.917 5.657 281 2HE2 GLN 30 2HE2 GLN 30 13.770 6.787 6.746 282 H ARG 31 H ARG 31 15.223 4.887 1.714 283 HA ARG 31 HA ARG 31 17.460 5.045 2.421 284 1HB ARG 31 1HB ARG 31 17.475 4.042 0.203 285 2HB ARG 31 2HB ARG 31 17.450 5.649 -0.561 286 1HG ARG 31 1HG ARG 31 19.736 5.027 -0.615 287 2HG ARG 31 2HG ARG 31 19.617 6.106 0.796 288 1HD ARG 31 1HD ARG 31 19.381 3.078 0.965 289 2HD ARG 31 2HD ARG 31 20.908 3.956 1.197 290 HE ARG 31 HE ARG 31 18.687 3.758 3.068 291 1HH1 ARG 31 2HH2 ARG 31 21.454 5.682 1.998 292 2HH1 ARG 31 1HH2 ARG 31 21.676 6.472 3.543 293 1HH2 ARG 31 2HH1 ARG 31 18.981 4.801 5.109 294 2HH2 ARG 31 1HH1 ARG 31 20.266 5.970 5.316 295 H GLY 32 H GLY 32 17.307 6.944 3.803 296 1HA GLY 32 1HA GLY 32 19.156 8.997 3.008 297 2HA GLY 32 2HA GLY 32 17.484 9.602 3.005 Start of MODEL 18 1 HA PRO 1 HA PRO 1 -17.651 -1.371 3.281 2 1HB PRO 1 1HB PRO 1 -17.943 -0.020 5.629 3 2HB PRO 1 2HB PRO 1 -18.384 -1.752 5.473 4 1HG PRO 1 1HG PRO 1 -15.777 -0.606 6.512 5 2HG PRO 1 2HG PRO 1 -16.831 -1.815 7.315 6 1HD PRO 1 1HD PRO 1 -14.677 -2.573 5.826 7 2HD PRO 1 2HD PRO 1 -16.206 -3.499 5.746 8 HA PRO 2 HA PRO 2 -14.503 1.822 2.310 9 1HB PRO 2 1HB PRO 2 -15.335 2.287 -0.243 10 2HB PRO 2 2HB PRO 2 -14.375 0.834 0.189 11 1HG PRO 2 1HG PRO 2 -17.390 1.040 -0.054 12 2HG PRO 2 2HG PRO 2 -16.314 -0.160 -0.843 13 1HD PRO 2 1HD PRO 2 -17.603 -0.725 1.492 14 2HD PRO 2 2HD PRO 2 -15.917 -1.265 1.232 15 H LEU 3 H LEU 3 -15.342 3.951 0.719 16 HA LEU 3 HA LEU 3 -17.527 5.074 2.396 17 1HB LEU 3 1HB LEU 3 -15.130 6.081 2.305 18 2HB LEU 3 2HB LEU 3 -15.601 6.664 0.691 19 HG LEU 3 HG LEU 3 -16.182 8.439 2.166 20 1HD1 LEU 3 1HD1 LEU 3 -18.762 6.844 2.038 21 2HD1 LEU 3 2HD1 LEU 3 -18.542 8.605 1.903 22 3HD1 LEU 3 3HD1 LEU 3 -18.013 7.538 0.580 23 1HD2 LEU 3 1HD2 LEU 3 -17.771 6.612 3.967 24 2HD2 LEU 3 2HD2 LEU 3 -16.009 6.743 4.184 25 3HD2 LEU 3 3HD2 LEU 3 -17.034 8.191 4.329 26 H SER 4 H SER 4 -16.178 5.658 -0.902 27 HA SER 4 HA SER 4 -18.982 5.568 -1.911 28 1HB SER 4 1HB SER 4 -17.489 7.844 -1.733 29 2HB SER 4 2HB SER 4 -17.014 7.266 -3.348 30 HG SER 4 HG SER 4 -18.884 7.877 -4.026 31 H GLN 5 H GLN 5 -16.063 4.027 -1.857 32 HA GLN 5 HA GLN 5 -15.380 2.224 -3.140 33 1HB GLN 5 1HB GLN 5 -17.923 2.450 -4.003 34 2HB GLN 5 2HB GLN 5 -17.079 2.948 -5.489 35 1HG GLN 5 1HG GLN 5 -15.757 0.896 -5.477 36 2HG GLN 5 2HG GLN 5 -16.459 0.416 -3.916 37 1HE2 GLN 5 1HE2 GLN 5 -19.096 0.767 -4.094 38 2HE2 GLN 5 2HE2 GLN 5 -19.792 -0.136 -5.423 39 H GLU 6 H GLU 6 -15.721 5.500 -4.330 40 HA GLU 6 HA GLU 6 -14.370 5.713 -6.639 41 1HB GLU 6 1HB GLU 6 -14.423 7.285 -4.136 42 2HB GLU 6 2HB GLU 6 -13.007 7.597 -5.169 43 1HG GLU 6 1HG GLU 6 -14.481 8.000 -7.097 44 2HG GLU 6 2HG GLU 6 -15.907 7.635 -6.101 45 H THR 7 H THR 7 -12.460 5.789 -3.577 46 HA THR 7 HA THR 7 -10.155 4.730 -5.078 47 HB THR 7 HB THR 7 -9.777 5.175 -2.215 48 HG1 THR 7 1HG THR 7 -11.036 6.846 -2.099 49 1HG2 THR 7 1HG2 THR 7 -7.849 6.248 -2.971 50 2HG2 THR 7 2HG2 THR 7 -8.183 5.153 -4.334 51 3HG2 THR 7 3HG2 THR 7 -8.645 6.869 -4.437 52 H PHE 8 H PHE 8 -10.664 4.067 -1.655 53 HA PHE 8 HA PHE 8 -9.956 1.829 -0.924 54 1HB PHE 8 1HB PHE 8 -12.920 1.582 -1.359 55 2HB PHE 8 2HB PHE 8 -11.951 1.143 0.057 56 HD1 PHE 8 1HD PHE 8 -12.395 4.313 -1.923 57 HD2 PHE 8 2HD PHE 8 -12.564 2.380 1.910 58 HE1 PHE 8 1HE PHE 8 -12.971 6.477 -0.857 59 HE2 PHE 8 2HE PHE 8 -13.140 4.544 2.975 60 HZ PHE 8 HZ PHE 8 -13.344 6.593 1.592 61 H SER 9 H SER 9 -12.574 1.511 -3.397 62 HA SER 9 HA SER 9 -12.445 -1.074 -4.091 63 1HB SER 9 1HB SER 9 -13.695 0.819 -5.257 64 2HB SER 9 2HB SER 9 -12.216 1.088 -6.211 65 HG SER 9 HG SER 9 -12.358 -1.179 -6.768 66 H ASP 10 H ASP 10 -10.174 1.333 -5.545 67 HA ASP 10 HA ASP 10 -8.407 -0.886 -6.341 68 1HB ASP 10 1HB ASP 10 -9.070 1.676 -7.374 69 2HB ASP 10 2HB ASP 10 -7.361 1.748 -6.891 70 H LEU 11 H LEU 11 -8.531 1.922 -4.143 71 HA LEU 11 HA LEU 11 -5.830 1.875 -3.305 72 1HB LEU 11 1HB LEU 11 -8.274 3.204 -2.613 73 2HB LEU 11 2HB LEU 11 -7.532 2.590 -1.116 74 HG LEU 11 HG LEU 11 -5.360 3.617 -1.817 75 1HD1 LEU 11 1HD1 LEU 11 -5.118 4.171 -3.991 76 2HD1 LEU 11 2HD1 LEU 11 -6.857 3.934 -4.289 77 3HD1 LEU 11 3HD1 LEU 11 -6.258 5.511 -3.721 78 1HD2 LEU 11 1HD2 LEU 11 -6.363 6.084 -1.760 79 2HD2 LEU 11 2HD2 LEU 11 -7.877 5.217 -1.407 80 3HD2 LEU 11 3HD2 LEU 11 -6.469 5.023 -0.335 81 H TRP 12 H TRP 12 -8.584 0.799 -1.250 82 HA TRP 12 HA TRP 12 -7.235 -0.666 0.601 83 1HB TRP 12 1HB TRP 12 -9.900 -0.586 -0.480 84 2HB TRP 12 2HB TRP 12 -9.458 -2.267 -0.153 85 HD1 TRP 12 HD TRP 12 -11.233 0.325 1.437 86 HE1 TRP 12 1HE TRP 12 -11.196 0.214 3.982 87 HE3 TRP 12 3HE TRP 12 -7.280 -2.868 2.049 88 HZ2 TRP 12 2HZ TRP 12 -9.644 -1.098 6.042 89 HZ3 TRP 12 3HZ TRP 12 -6.553 -3.524 4.314 90 HH2 TRP 12 HH TRP 12 -7.720 -2.650 6.316 91 H LYS 13 H LYS 13 -8.570 -2.161 -2.407 92 HA LYS 13 HA LYS 13 -7.368 -4.653 -2.147 93 1HB LYS 13 1HB LYS 13 -8.985 -3.531 -3.966 94 2HB LYS 13 2HB LYS 13 -7.456 -3.401 -4.866 95 1HG LYS 13 1HG LYS 13 -7.693 -5.572 -5.438 96 2HG LYS 13 2HG LYS 13 -7.447 -5.990 -3.725 97 1HD LYS 13 1HD LYS 13 -10.060 -5.226 -3.659 98 2HD LYS 13 2HD LYS 13 -9.963 -5.860 -5.319 99 1HE LYS 13 1HE LYS 13 -9.306 -8.007 -4.590 100 2HE LYS 13 2HE LYS 13 -8.811 -7.412 -2.991 101 1HZ LYS 13 1HZ LYS 13 -10.787 -8.283 -2.484 102 2HZ LYS 13 2HZ LYS 13 -11.329 -6.790 -2.931 103 3HZ LYS 13 3HZ LYS 13 -11.441 -8.057 -3.981 104 H LEU 14 H LEU 14 -6.017 -1.638 -3.542 105 HA LEU 14 HA LEU 14 -3.583 -2.762 -4.466 106 1HB LEU 14 1HB LEU 14 -4.568 -0.018 -3.728 107 2HB LEU 14 2HB LEU 14 -2.827 -0.264 -4.002 108 HG LEU 14 HG LEU 14 -4.832 0.101 -5.966 109 1HD1 LEU 14 1HD1 LEU 14 -2.614 -0.918 -7.292 110 2HD1 LEU 14 2HD1 LEU 14 -2.827 0.776 -6.788 111 3HD1 LEU 14 3HD1 LEU 14 -1.927 -0.355 -5.749 112 1HD2 LEU 14 1HD2 LEU 14 -5.024 -1.930 -7.143 113 2HD2 LEU 14 2HD2 LEU 14 -3.642 -2.663 -6.294 114 3HD2 LEU 14 3HD2 LEU 14 -5.190 -2.439 -5.445 115 H LEU 15 H LEU 15 -4.463 -1.201 -1.345 116 HA LEU 15 HA LEU 15 -1.844 -1.569 -0.207 117 1HB LEU 15 1HB LEU 15 -4.567 -1.029 1.042 118 2HB LEU 15 2HB LEU 15 -3.016 -0.963 1.914 119 HG LEU 15 HG LEU 15 -3.987 0.809 -0.350 120 1HD1 LEU 15 1HD1 LEU 15 -4.010 2.455 1.233 121 2HD1 LEU 15 2HD1 LEU 15 -4.102 1.091 2.373 122 3HD1 LEU 15 3HD1 LEU 15 -2.532 1.853 2.022 123 1HD2 LEU 15 1HD2 LEU 15 -1.154 0.334 0.655 124 2HD2 LEU 15 2HD2 LEU 15 -1.757 0.180 -1.013 125 3HD2 LEU 15 3HD2 LEU 15 -1.637 1.786 -0.254 126 H LYS 16 H LYS 16 -4.404 -3.704 -0.924 127 HA LYS 16 HA LYS 16 -4.055 -5.482 1.343 128 1HB LYS 16 1HB LYS 16 -6.002 -5.109 -0.554 129 2HB LYS 16 2HB LYS 16 -5.183 -6.563 -1.171 130 1HG LYS 16 1HG LYS 16 -5.483 -7.706 0.950 131 2HG LYS 16 2HG LYS 16 -6.115 -6.226 1.709 132 1HD LYS 16 1HD LYS 16 -7.777 -6.460 -0.464 133 2HD LYS 16 2HD LYS 16 -7.464 -8.170 -0.082 134 1HE LYS 16 1HE LYS 16 -7.960 -7.514 2.372 135 2HE LYS 16 2HE LYS 16 -8.648 -6.021 1.698 136 1HZ LYS 16 1HZ LYS 16 -10.312 -7.160 0.711 137 2HZ LYS 16 2HZ LYS 16 -9.486 -8.586 0.627 138 3HZ LYS 16 3HZ LYS 16 -10.109 -8.077 2.067 139 H LYS 17 H LYS 17 -1.806 -4.609 -0.712 140 HA LYS 17 HA LYS 17 -0.389 -7.122 -0.547 141 1HB LYS 17 1HB LYS 17 -1.198 -7.966 -2.491 142 2HB LYS 17 2HB LYS 17 -1.836 -6.392 -3.022 143 1HG LYS 17 1HG LYS 17 1.121 -7.125 -3.040 144 2HG LYS 17 2HG LYS 17 0.051 -7.273 -4.455 145 1HD LYS 17 1HD LYS 17 -0.438 -4.687 -3.474 146 2HD LYS 17 2HD LYS 17 1.324 -4.892 -3.328 147 1HE LYS 17 1HE LYS 17 0.243 -5.959 -5.848 148 2HE LYS 17 2HE LYS 17 -0.050 -4.218 -5.652 149 1HZ LYS 17 1HZ LYS 17 2.005 -4.353 -6.614 150 2HZ LYS 17 2HZ LYS 17 2.377 -4.150 -5.020 151 3HZ LYS 17 3HZ LYS 17 2.493 -5.644 -5.710 152 H TRP 18 H TRP 18 -0.705 -3.829 -1.876 153 HA TRP 18 HA TRP 18 2.129 -3.518 -2.347 154 1HB TRP 18 1HB TRP 18 -0.068 -2.246 -3.225 155 2HB TRP 18 2HB TRP 18 0.346 -1.174 -1.880 156 HD1 TRP 18 HD TRP 18 0.978 -1.632 -5.425 157 HE1 TRP 18 1HE TRP 18 2.981 -0.290 -6.246 158 HE3 TRP 18 3HE TRP 18 3.065 -0.449 -0.903 159 HZ2 TRP 18 2HZ TRP 18 5.223 1.129 -5.090 160 HZ3 TRP 18 3HZ TRP 18 5.131 0.897 -0.804 161 HH2 TRP 18 HH TRP 18 6.220 1.691 -2.882 162 H LYS 19 H LYS 19 -0.166 -2.564 0.243 163 HA LYS 19 HA LYS 19 1.287 -0.950 1.852 164 1HB LYS 19 1HB LYS 19 -0.947 -1.891 2.391 165 2HB LYS 19 2HB LYS 19 -0.179 -3.444 2.797 166 1HG LYS 19 1HG LYS 19 1.330 -1.928 4.365 167 2HG LYS 19 2HG LYS 19 -0.045 -0.805 4.248 168 1HD LYS 19 1HD LYS 19 -0.533 -3.721 4.869 169 2HD LYS 19 2HD LYS 19 -0.009 -2.615 6.161 170 1HE LYS 19 1HE LYS 19 -2.181 -2.036 6.371 171 2HE LYS 19 2HE LYS 19 -1.994 -1.178 4.827 172 1HZ LYS 19 1HZ LYS 19 -2.394 -3.761 4.147 173 2HZ LYS 19 2HZ LYS 19 -3.436 -3.529 5.404 174 3HZ LYS 19 3HZ LYS 19 -3.509 -2.548 4.080 175 H MET 20 H MET 20 1.759 -4.498 1.549 176 HA MET 20 HA MET 20 3.556 -5.096 3.472 177 1HB MET 20 1HB MET 20 3.470 -6.914 2.138 178 2HB MET 20 2HB MET 20 3.116 -5.935 0.695 179 1HG MET 20 1HG MET 20 5.785 -5.341 1.397 180 2HG MET 20 2HG MET 20 5.630 -7.097 1.572 181 1HE MET 20 1HE MET 20 3.663 -4.733 -0.546 182 2HE MET 20 2HE MET 20 5.157 -4.081 -1.260 183 3HE MET 20 3HE MET 20 4.074 -5.098 -2.239 184 H ARG 21 H ARG 21 4.311 -3.255 0.483 185 HA ARG 21 HA ARG 21 7.042 -2.761 1.482 186 1HB ARG 21 1HB ARG 21 5.573 -2.293 -1.122 187 2HB ARG 21 2HB ARG 21 7.129 -1.496 -0.786 188 1HG ARG 21 1HG ARG 21 8.306 -3.511 -0.740 189 2HG ARG 21 2HG ARG 21 6.862 -4.463 -0.316 190 1HD ARG 21 1HD ARG 21 6.055 -3.527 -2.710 191 2HD ARG 21 2HD ARG 21 7.810 -3.501 -2.988 192 HE ARG 21 HE ARG 21 7.436 -5.989 -1.949 193 1HH1 ARG 21 2HH2 ARG 21 5.821 -4.167 -4.512 194 2HH1 ARG 21 1HH2 ARG 21 5.402 -5.586 -5.445 195 1HH2 ARG 21 2HH1 ARG 21 6.882 -7.864 -3.181 196 2HH2 ARG 21 1HH1 ARG 21 6.007 -7.694 -4.686 197 H ARG 22 H ARG 22 4.047 -0.990 0.582 198 HA ARG 22 HA ARG 22 5.056 1.603 1.192 199 1HB ARG 22 1HB ARG 22 3.031 1.140 -0.175 200 2HB ARG 22 2HB ARG 22 2.197 0.563 1.288 201 1HG ARG 22 1HG ARG 22 3.337 3.083 1.950 202 2HG ARG 22 2HG ARG 22 2.566 3.281 0.358 203 1HD ARG 22 1HD ARG 22 0.989 3.719 2.238 204 2HD ARG 22 2HD ARG 22 0.470 2.359 1.219 205 HE ARG 22 HE ARG 22 1.861 1.069 3.147 206 1HH1 ARG 22 2HH2 ARG 22 -0.577 3.626 3.286 207 2HH1 ARG 22 1HH2 ARG 22 -1.208 3.129 4.841 208 1HH2 ARG 22 2HH1 ARG 22 1.028 0.413 5.200 209 2HH2 ARG 22 1HH1 ARG 22 -0.292 1.297 5.932 210 H ASN 23 H ASN 23 5.300 -0.767 3.228 211 HA ASN 23 HA ASN 23 4.701 0.935 5.565 212 1HB ASN 23 1HB ASN 23 2.968 -1.105 4.811 213 2HB ASN 23 2HB ASN 23 4.011 -1.879 6.024 214 1HD2 ASN 23 1HD2 ASN 23 1.895 -1.941 7.239 215 2HD2 ASN 23 2HD2 ASN 23 1.477 -0.544 8.208 216 H GLN 24 H GLN 24 6.992 -0.402 3.858 217 HA GLN 24 HA GLN 24 8.771 -0.761 6.083 218 1HB GLN 24 1HB GLN 24 7.659 -3.194 4.676 219 2HB GLN 24 2HB GLN 24 9.307 -3.206 5.350 220 1HG GLN 24 1HG GLN 24 7.954 -2.123 7.442 221 2HG GLN 24 2HG GLN 24 6.668 -3.129 6.739 222 1HE2 GLN 24 1HE2 GLN 24 8.036 -3.483 9.318 223 2HE2 GLN 24 2HE2 GLN 24 8.807 -5.054 9.259 224 H PHE 25 H PHE 25 9.233 -2.854 3.333 225 HA PHE 25 HA PHE 25 11.639 -1.995 2.484 226 1HB PHE 25 1HB PHE 25 10.715 -3.801 1.328 227 2HB PHE 25 2HB PHE 25 9.222 -2.925 0.948 228 HD1 PHE 25 1HD PHE 25 9.685 -0.680 -0.509 229 HD2 PHE 25 2HD PHE 25 12.160 -4.189 -0.429 230 HE1 PHE 25 1HE PHE 25 10.600 -0.085 -2.736 231 HE2 PHE 25 2HE PHE 25 13.075 -3.595 -2.656 232 HZ PHE 25 HZ PHE 25 12.295 -1.543 -3.809 233 H TRP 26 H TRP 26 8.532 -0.363 1.811 234 HA TRP 26 HA TRP 26 9.354 1.511 -0.074 235 1HB TRP 26 1HB TRP 26 7.441 2.687 0.484 236 2HB TRP 26 2HB TRP 26 7.055 1.053 1.042 237 HD1 TRP 26 HD TRP 26 6.449 0.747 3.506 238 HE1 TRP 26 1HE TRP 26 6.251 2.256 5.548 239 HE3 TRP 26 3HE TRP 26 8.640 4.964 1.607 240 HZ2 TRP 26 2HZ TRP 26 6.954 4.967 6.279 241 HZ3 TRP 26 3HZ TRP 26 8.857 6.987 3.003 242 HH2 TRP 26 HH TRP 26 8.022 7.005 5.335 243 H VAL 27 H VAL 27 9.709 1.597 3.494 244 HA VAL 27 HA VAL 27 10.607 4.126 3.963 245 HB VAL 27 HB VAL 27 11.871 3.231 5.800 246 1HG1 VAL 27 1HG1 VAL 27 9.937 2.546 6.728 247 2HG1 VAL 27 2HG1 VAL 27 9.246 2.306 5.106 248 3HG1 VAL 27 3HG1 VAL 27 10.102 0.971 5.915 249 1HG2 VAL 27 1HG2 VAL 27 13.323 1.655 4.765 250 2HG2 VAL 27 2HG2 VAL 27 12.276 0.678 5.823 251 3HG2 VAL 27 3HG2 VAL 27 11.964 0.738 4.071 252 H LYS 28 H LYS 28 12.541 1.440 2.558 253 HA LYS 28 HA LYS 28 14.966 2.908 2.344 254 1HB LYS 28 1HB LYS 28 13.811 0.486 0.944 255 2HB LYS 28 2HB LYS 28 15.402 1.148 0.496 256 1HG LYS 28 1HG LYS 28 16.261 -0.058 2.204 257 2HG LYS 28 2HG LYS 28 15.439 1.076 3.303 258 1HD LYS 28 1HD LYS 28 13.665 -0.371 3.691 259 2HD LYS 28 2HD LYS 28 13.839 -1.176 2.113 260 1HE LYS 28 1HE LYS 28 15.782 -1.438 4.443 261 2HE LYS 28 2HE LYS 28 14.547 -2.637 4.003 262 1HZ LYS 28 1HZ LYS 28 15.807 -2.297 1.712 263 2HZ LYS 28 2HZ LYS 28 17.057 -2.053 2.760 264 3HZ LYS 28 3HZ LYS 28 16.199 -3.461 2.812 265 H VAL 29 H VAL 29 12.124 2.574 0.214 266 HA VAL 29 HA VAL 29 13.059 3.629 -2.156 267 HB VAL 29 HB VAL 29 10.424 4.175 -0.735 268 1HG1 VAL 29 1HG1 VAL 29 10.752 5.824 -2.493 269 2HG1 VAL 29 2HG1 VAL 29 11.302 4.567 -3.626 270 3HG1 VAL 29 3HG1 VAL 29 9.607 4.596 -3.084 271 1HG2 VAL 29 1HG2 VAL 29 9.599 2.289 -1.979 272 2HG2 VAL 29 2HG2 VAL 29 11.089 2.195 -2.948 273 3HG2 VAL 29 3HG2 VAL 29 11.122 1.767 -1.220 274 H GLN 30 H GLN 30 12.987 5.153 0.935 275 HA GLN 30 HA GLN 30 13.121 7.860 -0.253 276 1HB GLN 30 1HB GLN 30 12.426 8.627 1.778 277 2HB GLN 30 2HB GLN 30 11.866 6.950 1.985 278 1HG GLN 30 1HG GLN 30 14.126 6.408 2.980 279 2HG GLN 30 2HG GLN 30 14.498 8.145 2.935 280 1HE2 GLN 30 1HE2 GLN 30 14.674 7.184 5.377 281 2HE2 GLN 30 2HE2 GLN 30 13.266 7.541 6.353 282 H ARG 31 H ARG 31 15.023 5.509 1.667 283 HA ARG 31 HA ARG 31 17.216 5.754 2.466 284 1HB ARG 31 1HB ARG 31 17.415 4.470 0.436 285 2HB ARG 31 2HB ARG 31 17.327 5.938 -0.567 286 1HG ARG 31 1HG ARG 31 19.523 6.430 -0.239 287 2HG ARG 31 2HG ARG 31 19.446 6.023 1.492 288 1HD ARG 31 1HD ARG 31 19.755 3.705 1.074 289 2HD ARG 31 2HD ARG 31 19.379 3.882 -0.653 290 HE ARG 31 HE ARG 31 21.699 5.429 0.131 291 1HH1 ARG 31 2HH2 ARG 31 20.527 2.208 -0.738 292 2HH1 ARG 31 1HH2 ARG 31 22.078 1.652 -1.325 293 1HH2 ARG 31 2HH1 ARG 31 23.748 4.694 -0.644 294 2HH2 ARG 31 1HH1 ARG 31 23.915 3.070 -1.272 295 H GLY 32 H GLY 32 16.869 7.856 3.550 296 1HA GLY 32 1HA GLY 32 18.787 9.807 2.575 297 2HA GLY 32 2HA GLY 32 17.105 10.379 2.505 Start of MODEL 19 1 HA PRO 1 HA PRO 1 -10.786 10.285 2.939 2 1HB PRO 1 1HB PRO 1 -13.157 8.957 3.134 3 2HB PRO 1 2HB PRO 1 -12.240 9.472 4.587 4 1HG PRO 1 1HG PRO 1 -14.531 10.935 3.245 5 2HG PRO 1 2HG PRO 1 -14.383 10.504 4.980 6 1HD PRO 1 1HD PRO 1 -13.669 12.969 4.063 7 2HD PRO 1 2HD PRO 1 -12.686 12.146 5.311 8 HA PRO 2 HA PRO 2 -11.973 10.161 -1.299 9 1HB PRO 2 1HB PRO 2 -12.201 7.510 -1.887 10 2HB PRO 2 2HB PRO 2 -10.640 8.236 -1.382 11 1HG PRO 2 1HG PRO 2 -12.654 6.803 0.374 12 2HG PRO 2 2HG PRO 2 -10.896 6.470 0.239 13 1HD PRO 2 1HD PRO 2 -11.894 8.060 2.215 14 2HD PRO 2 2HD PRO 2 -10.359 8.484 1.398 15 H LEU 3 H LEU 3 -14.131 9.635 1.129 16 HA LEU 3 HA LEU 3 -16.434 9.989 1.030 17 1HB LEU 3 1HB LEU 3 -15.788 10.471 -1.587 18 2HB LEU 3 2HB LEU 3 -16.802 9.016 -1.746 19 HG LEU 3 HG LEU 3 -18.160 10.571 0.139 20 1HD1 LEU 3 1HD1 LEU 3 -16.747 12.509 -0.359 21 2HD1 LEU 3 2HD1 LEU 3 -17.047 12.311 -2.102 22 3HD1 LEU 3 3HD1 LEU 3 -18.379 12.779 -1.018 23 1HD2 LEU 3 1HD2 LEU 3 -19.409 11.163 -2.242 24 2HD2 LEU 3 2HD2 LEU 3 -18.442 9.738 -2.691 25 3HD2 LEU 3 3HD2 LEU 3 -19.609 9.636 -1.350 26 H SER 4 H SER 4 -14.553 7.284 0.521 27 HA SER 4 HA SER 4 -14.919 5.106 1.178 28 1HB SER 4 1HB SER 4 -16.898 6.391 2.517 29 2HB SER 4 2HB SER 4 -17.874 5.378 1.427 30 HG SER 4 HG SER 4 -15.820 4.521 3.191 31 H GLN 5 H GLN 5 -15.097 3.334 -0.113 32 HA GLN 5 HA GLN 5 -16.002 1.964 -1.771 33 1HB GLN 5 1HB GLN 5 -18.118 3.589 -1.403 34 2HB GLN 5 2HB GLN 5 -17.613 4.154 -3.014 35 1HG GLN 5 1HG GLN 5 -17.409 1.414 -3.274 36 2HG GLN 5 2HG GLN 5 -18.811 1.576 -2.195 37 1HE2 GLN 5 1HE2 GLN 5 -19.453 0.505 -4.526 38 2HE2 GLN 5 2HE2 GLN 5 -20.211 1.654 -5.608 39 H GLU 6 H GLU 6 -15.284 5.393 -2.528 40 HA GLU 6 HA GLU 6 -14.532 5.149 -5.195 41 1HB GLU 6 1HB GLU 6 -13.752 6.912 -2.903 42 2HB GLU 6 2HB GLU 6 -12.747 6.968 -4.371 43 1HG GLU 6 1HG GLU 6 -15.778 7.259 -4.340 44 2HG GLU 6 2HG GLU 6 -14.638 8.621 -4.391 45 H THR 7 H THR 7 -12.610 4.462 -2.241 46 HA THR 7 HA THR 7 -10.409 3.467 -3.949 47 HB THR 7 HB THR 7 -9.950 3.190 -1.112 48 HG1 THR 7 1HG THR 7 -10.814 5.738 -2.026 49 1HG2 THR 7 1HG2 THR 7 -8.236 3.463 -2.882 50 2HG2 THR 7 2HG2 THR 7 -8.847 5.101 -3.217 51 3HG2 THR 7 3HG2 THR 7 -8.094 4.735 -1.646 52 H PHE 8 H PHE 8 -10.930 2.144 -0.760 53 HA PHE 8 HA PHE 8 -10.673 -0.243 -0.478 54 1HB PHE 8 1HB PHE 8 -13.612 0.078 -1.072 55 2HB PHE 8 2HB PHE 8 -12.829 -0.875 0.201 56 HD1 PHE 8 1HD PHE 8 -12.599 2.728 -0.861 57 HD2 PHE 8 2HD PHE 8 -13.394 -0.075 2.295 58 HE1 PHE 8 1HE PHE 8 -12.901 4.606 0.731 59 HE2 PHE 8 2HE PHE 8 -13.696 1.802 3.887 60 HZ PHE 8 HZ PHE 8 -13.450 4.143 3.105 61 H SER 9 H SER 9 -13.149 0.291 -3.057 62 HA SER 9 HA SER 9 -13.278 -2.096 -4.271 63 1HB SER 9 1HB SER 9 -14.275 0.078 -5.074 64 2HB SER 9 2HB SER 9 -12.706 0.451 -5.829 65 HG SER 9 HG SER 9 -13.482 -0.665 -7.424 66 H ASP 10 H ASP 10 -10.679 0.259 -5.144 67 HA ASP 10 HA ASP 10 -9.055 -2.066 -6.046 68 1HB ASP 10 1HB ASP 10 -9.634 0.527 -7.159 69 2HB ASP 10 2HB ASP 10 -7.893 0.414 -6.823 70 H LEU 11 H LEU 11 -9.442 0.258 -3.563 71 HA LEU 11 HA LEU 11 -6.679 0.672 -2.895 72 1HB LEU 11 1HB LEU 11 -8.843 1.974 -2.191 73 2HB LEU 11 2HB LEU 11 -8.938 0.756 -0.896 74 HG LEU 11 HG LEU 11 -7.183 3.064 -1.120 75 1HD1 LEU 11 1HD1 LEU 11 -6.724 2.428 1.256 76 2HD1 LEU 11 2HD1 LEU 11 -8.463 2.470 0.882 77 3HD1 LEU 11 3HD1 LEU 11 -7.614 0.909 0.993 78 1HD2 LEU 11 1HD2 LEU 11 -5.531 1.589 -2.084 79 2HD2 LEU 11 2HD2 LEU 11 -5.106 1.809 -0.370 80 3HD2 LEU 11 3HD2 LEU 11 -5.905 0.310 -0.904 81 H TRP 12 H TRP 12 -9.052 -0.950 -0.753 82 HA TRP 12 HA TRP 12 -7.355 -2.422 0.771 83 1HB TRP 12 1HB TRP 12 -10.118 -2.547 -0.006 84 2HB TRP 12 2HB TRP 12 -9.470 -4.192 0.069 85 HD1 TRP 12 HD TRP 12 -11.286 -1.984 2.139 86 HE1 TRP 12 1HE TRP 12 -10.944 -2.373 4.633 87 HE3 TRP 12 3HE TRP 12 -7.021 -4.807 1.938 88 HZ2 TRP 12 2HZ TRP 12 -9.053 -3.741 6.344 89 HZ3 TRP 12 3HZ TRP 12 -5.981 -5.634 4.017 90 HH2 TRP 12 HH TRP 12 -6.981 -5.111 6.222 91 H LYS 13 H LYS 13 -8.834 -3.733 -2.255 92 HA LYS 13 HA LYS 13 -7.451 -6.109 -2.426 93 1HB LYS 13 1HB LYS 13 -8.979 -4.434 -4.158 94 2HB LYS 13 2HB LYS 13 -7.511 -4.915 -5.042 95 1HG LYS 13 1HG LYS 13 -7.977 -7.304 -4.252 96 2HG LYS 13 2HG LYS 13 -9.570 -6.718 -3.716 97 1HD LYS 13 1HD LYS 13 -10.140 -6.026 -5.974 98 2HD LYS 13 2HD LYS 13 -8.496 -6.391 -6.548 99 1HE LYS 13 1HE LYS 13 -9.760 -8.658 -5.165 100 2HE LYS 13 2HE LYS 13 -10.668 -8.133 -6.600 101 1HZ LYS 13 1HZ LYS 13 -7.800 -8.401 -6.833 102 2HZ LYS 13 2HZ LYS 13 -8.691 -9.786 -6.753 103 3HZ LYS 13 3HZ LYS 13 -8.984 -8.685 -7.946 104 H LEU 14 H LEU 14 -6.338 -2.868 -3.517 105 HA LEU 14 HA LEU 14 -3.867 -3.719 -4.602 106 1HB LEU 14 1HB LEU 14 -5.046 -1.157 -3.596 107 2HB LEU 14 2HB LEU 14 -3.281 -1.227 -3.810 108 HG LEU 14 HG LEU 14 -5.113 -0.696 -5.820 109 1HD1 LEU 14 1HD1 LEU 14 -2.321 -1.908 -5.945 110 2HD1 LEU 14 2HD1 LEU 14 -3.159 -1.196 -7.344 111 3HD1 LEU 14 3HD1 LEU 14 -2.744 -0.179 -5.943 112 1HD2 LEU 14 1HD2 LEU 14 -5.483 -2.589 -7.135 113 2HD2 LEU 14 2HD2 LEU 14 -4.116 -3.478 -6.422 114 3HD2 LEU 14 3HD2 LEU 14 -5.624 -3.274 -5.498 115 H LEU 15 H LEU 15 -4.747 -2.579 -1.304 116 HA LEU 15 HA LEU 15 -2.070 -2.912 -0.284 117 1HB LEU 15 1HB LEU 15 -4.672 -1.982 0.644 118 2HB LEU 15 2HB LEU 15 -3.878 -3.007 1.863 119 HG LEU 15 HG LEU 15 -1.968 -1.611 1.962 120 1HD1 LEU 15 1HD1 LEU 15 -2.410 0.416 0.006 121 2HD1 LEU 15 2HD1 LEU 15 -1.111 -0.800 0.043 122 3HD1 LEU 15 3HD1 LEU 15 -2.632 -1.149 -0.813 123 1HD2 LEU 15 1HD2 LEU 15 -3.099 0.816 1.879 124 2HD2 LEU 15 2HD2 LEU 15 -4.586 -0.155 1.750 125 3HD2 LEU 15 3HD2 LEU 15 -3.508 -0.359 3.152 126 H LYS 16 H LYS 16 -4.518 -5.096 -1.175 127 HA LYS 16 HA LYS 16 -4.037 -7.074 0.894 128 1HB LYS 16 1HB LYS 16 -6.027 -6.614 -0.951 129 2HB LYS 16 2HB LYS 16 -5.147 -7.972 -1.693 130 1HG LYS 16 1HG LYS 16 -5.294 -9.215 0.461 131 2HG LYS 16 2HG LYS 16 -6.230 -7.870 1.155 132 1HD LYS 16 1HD LYS 16 -8.089 -8.860 0.342 133 2HD LYS 16 2HD LYS 16 -7.502 -8.465 -1.291 134 1HE LYS 16 1HE LYS 16 -6.379 -10.888 0.087 135 2HE LYS 16 2HE LYS 16 -8.026 -10.983 -0.573 136 1HZ LYS 16 1HZ LYS 16 -5.758 -11.347 -1.952 137 2HZ LYS 16 2HZ LYS 16 -7.239 -11.030 -2.607 138 3HZ LYS 16 3HZ LYS 16 -6.167 -9.801 -2.357 139 H LYS 17 H LYS 17 -1.872 -5.875 -1.081 140 HA LYS 17 HA LYS 17 -0.320 -8.308 -1.193 141 1HB LYS 17 1HB LYS 17 -1.115 -8.998 -3.202 142 2HB LYS 17 2HB LYS 17 -1.851 -7.418 -3.562 143 1HG LYS 17 1HG LYS 17 1.141 -7.972 -3.695 144 2HG LYS 17 2HG LYS 17 0.054 -8.039 -5.102 145 1HD LYS 17 1HD LYS 17 -0.561 -5.598 -3.857 146 2HD LYS 17 2HD LYS 17 1.212 -5.714 -3.756 147 1HE LYS 17 1HE LYS 17 0.582 -6.630 -6.336 148 2HE LYS 17 2HE LYS 17 -0.492 -5.237 -6.082 149 1HZ LYS 17 1HZ LYS 17 2.244 -5.260 -6.590 150 2HZ LYS 17 2HZ LYS 17 1.224 -3.970 -6.465 151 3HZ LYS 17 3HZ LYS 17 1.986 -4.552 -5.123 152 H TRP 18 H TRP 18 -0.839 -4.922 -2.180 153 HA TRP 18 HA TRP 18 1.967 -4.409 -2.651 154 1HB TRP 18 1HB TRP 18 -0.304 -3.183 -3.384 155 2HB TRP 18 2HB TRP 18 0.058 -2.230 -1.938 156 HD1 TRP 18 HD TRP 18 0.689 -2.294 -5.513 157 HE1 TRP 18 1HE TRP 18 2.600 -0.756 -6.199 158 HE3 TRP 18 3HE TRP 18 2.731 -1.437 -0.899 159 HZ2 TRP 18 2HZ TRP 18 4.758 0.678 -4.910 160 HZ3 TRP 18 3HZ TRP 18 4.710 0.018 -0.668 161 HH2 TRP 18 HH TRP 18 5.734 1.080 -2.658 162 H LYS 19 H LYS 19 -0.334 -3.855 0.047 163 HA LYS 19 HA LYS 19 1.048 -2.321 1.792 164 1HB LYS 19 1HB LYS 19 -1.117 -3.447 2.260 165 2HB LYS 19 2HB LYS 19 -0.249 -4.983 2.501 166 1HG LYS 19 1HG LYS 19 1.092 -3.020 4.075 167 2HG LYS 19 2HG LYS 19 -0.651 -2.817 4.373 168 1HD LYS 19 1HD LYS 19 -0.289 -5.594 4.335 169 2HD LYS 19 2HD LYS 19 1.144 -4.984 5.197 170 1HE LYS 19 1HE LYS 19 -0.719 -3.444 6.374 171 2HE LYS 19 2HE LYS 19 -1.754 -4.821 5.938 172 1HZ LYS 19 1HZ LYS 19 -0.731 -6.124 7.390 173 2HZ LYS 19 2HZ LYS 19 0.765 -5.472 7.145 174 3HZ LYS 19 3HZ LYS 19 -0.316 -4.709 8.130 175 H MET 20 H MET 20 1.750 -5.766 1.079 176 HA MET 20 HA MET 20 3.596 -6.473 2.918 177 1HB MET 20 1HB MET 20 3.649 -8.117 1.378 178 2HB MET 20 2HB MET 20 3.178 -7.005 0.070 179 1HG MET 20 1HG MET 20 5.815 -6.293 0.819 180 2HG MET 20 2HG MET 20 5.792 -8.062 0.732 181 1HE MET 20 1HE MET 20 4.966 -4.713 -1.591 182 2HE MET 20 2HE MET 20 3.984 -5.670 -2.726 183 3HE MET 20 3HE MET 20 3.555 -5.623 -0.999 184 H ARG 21 H ARG 21 4.194 -4.219 0.189 185 HA ARG 21 HA ARG 21 6.885 -3.654 1.272 186 1HB ARG 21 1HB ARG 21 5.430 -2.927 -1.291 187 2HB ARG 21 2HB ARG 21 7.007 -2.233 -0.846 188 1HG ARG 21 1HG ARG 21 6.882 -5.166 -0.542 189 2HG ARG 21 2HG ARG 21 6.639 -4.614 -2.217 190 1HD ARG 21 1HD ARG 21 8.870 -4.354 -2.373 191 2HD ARG 21 2HD ARG 21 8.731 -3.017 -1.211 192 HE ARG 21 HE ARG 21 8.886 -4.997 0.521 193 1HH1 ARG 21 2HH2 ARG 21 10.583 -4.662 -2.562 194 2HH1 ARG 21 1HH2 ARG 21 11.979 -5.584 -2.050 195 1HH2 ARG 21 2HH1 ARG 21 10.730 -6.215 1.197 196 2HH2 ARG 21 1HH1 ARG 21 12.063 -6.469 0.093 197 H ARG 22 H ARG 22 3.759 -2.056 0.534 198 HA ARG 22 HA ARG 22 4.562 0.546 1.384 199 1HB ARG 22 1HB ARG 22 2.580 0.059 -0.036 200 2HB ARG 22 2HB ARG 22 1.796 -0.726 1.356 201 1HG ARG 22 1HG ARG 22 2.715 1.792 2.289 202 2HG ARG 22 2HG ARG 22 1.960 2.097 0.706 203 1HD ARG 22 1HD ARG 22 0.334 2.206 2.610 204 2HD ARG 22 2HD ARG 22 -0.080 0.969 1.404 205 HE ARG 22 HE ARG 22 1.367 -0.475 3.185 206 1HH1 ARG 22 2HH2 ARG 22 -1.268 1.851 3.570 207 2HH1 ARG 22 1HH2 ARG 22 -1.901 1.101 5.019 208 1HH2 ARG 22 2HH1 ARG 22 0.531 -1.465 5.098 209 2HH2 ARG 22 1HH1 ARG 22 -0.875 -0.790 5.889 210 H ASN 23 H ASN 23 5.112 -1.887 3.199 211 HA ASN 23 HA ASN 23 4.252 -0.520 5.673 212 1HB ASN 23 1HB ASN 23 2.837 -2.691 4.742 213 2HB ASN 23 2HB ASN 23 4.042 -3.462 5.796 214 1HD2 ASN 23 1HD2 ASN 23 3.305 -3.780 7.813 215 2HD2 ASN 23 2HD2 ASN 23 2.245 -2.700 8.694 216 H GLN 24 H GLN 24 6.737 -1.248 3.901 217 HA GLN 24 HA GLN 24 8.541 -1.550 6.118 218 1HB GLN 24 1HB GLN 24 9.488 -3.759 4.985 219 2HB GLN 24 2HB GLN 24 8.197 -3.838 6.207 220 1HG GLN 24 1HG GLN 24 6.506 -4.114 4.562 221 2HG GLN 24 2HG GLN 24 7.581 -3.586 3.249 222 1HE2 GLN 24 1HE2 GLN 24 9.144 -5.025 2.396 223 2HE2 GLN 24 2HE2 GLN 24 9.093 -6.744 2.725 224 H PHE 25 H PHE 25 9.463 -3.193 3.207 225 HA PHE 25 HA PHE 25 11.646 -1.762 2.536 226 1HB PHE 25 1HB PHE 25 11.092 -3.653 1.235 227 2HB PHE 25 2HB PHE 25 9.519 -2.983 0.772 228 HD1 PHE 25 1HD PHE 25 9.732 -0.598 -0.493 229 HD2 PHE 25 2HD PHE 25 12.741 -3.662 -0.381 230 HE1 PHE 25 1HE PHE 25 10.729 0.305 -2.577 231 HE2 PHE 25 2HE PHE 25 13.738 -2.758 -2.464 232 HZ PHE 25 HZ PHE 25 12.732 -0.775 -3.562 233 H TRP 26 H TRP 26 8.283 -0.859 1.637 234 HA TRP 26 HA TRP 26 8.684 1.308 0.021 235 1HB TRP 26 1HB TRP 26 6.567 2.006 0.626 236 2HB TRP 26 2HB TRP 26 6.538 0.301 1.098 237 HD1 TRP 26 HD TRP 26 6.043 -0.253 3.547 238 HE1 TRP 26 1HE TRP 26 5.535 1.077 5.659 239 HE3 TRP 26 3HE TRP 26 7.237 4.429 1.859 240 HZ2 TRP 26 2HZ TRP 26 5.631 3.838 6.522 241 HZ3 TRP 26 3HZ TRP 26 7.016 6.381 3.352 242 HH2 TRP 26 HH TRP 26 6.217 6.104 5.680 243 H VAL 27 H VAL 27 9.018 1.230 3.592 244 HA VAL 27 HA VAL 27 9.381 3.863 4.217 245 HB VAL 27 HB VAL 27 10.811 3.126 6.021 246 1HG1 VAL 27 1HG1 VAL 27 8.962 2.151 6.865 247 2HG1 VAL 27 2HG1 VAL 27 8.393 1.742 5.229 248 3HG1 VAL 27 3HG1 VAL 27 9.465 0.622 6.104 249 1HG2 VAL 27 1HG2 VAL 27 11.353 0.828 4.130 250 2HG2 VAL 27 2HG2 VAL 27 12.512 1.850 5.015 251 3HG2 VAL 27 3HG2 VAL 27 11.565 0.619 5.885 252 H LYS 28 H LYS 28 11.806 1.695 2.693 253 HA LYS 28 HA LYS 28 13.908 3.611 2.624 254 1HB LYS 28 1HB LYS 28 13.264 1.127 1.008 255 2HB LYS 28 2HB LYS 28 14.732 2.093 0.724 256 1HG LYS 28 1HG LYS 28 15.423 1.785 3.057 257 2HG LYS 28 2HG LYS 28 13.917 0.905 3.411 258 1HD LYS 28 1HD LYS 28 14.533 -0.893 1.914 259 2HD LYS 28 2HD LYS 28 15.929 0.025 1.302 260 1HE LYS 28 1HE LYS 28 16.040 -0.139 4.193 261 2HE LYS 28 2HE LYS 28 15.864 -1.766 3.503 262 1HZ LYS 28 1HZ LYS 28 17.682 -0.551 1.929 263 2HZ LYS 28 2HZ LYS 28 18.080 -0.018 3.438 264 3HZ LYS 28 3HZ LYS 28 18.004 -1.636 3.129 265 H VAL 29 H VAL 29 11.196 2.879 0.428 266 HA VAL 29 HA VAL 29 11.932 4.234 -1.860 267 HB VAL 29 HB VAL 29 9.230 4.184 -0.460 268 1HG1 VAL 29 1HG1 VAL 29 8.560 4.416 -3.015 269 2HG1 VAL 29 2HG1 VAL 29 8.940 5.864 -2.053 270 3HG1 VAL 29 3HG1 VAL 29 10.162 5.178 -3.150 271 1HG2 VAL 29 1HG2 VAL 29 8.788 2.253 -1.823 272 2HG2 VAL 29 2HG2 VAL 29 10.275 2.502 -2.770 273 3HG2 VAL 29 3HG2 VAL 29 10.379 1.985 -1.070 274 H GLN 30 H GLN 30 11.560 5.523 1.312 275 HA GLN 30 HA GLN 30 11.202 8.276 0.279 276 1HB GLN 30 1HB GLN 30 10.355 8.798 2.340 277 2HB GLN 30 2HB GLN 30 10.044 7.047 2.393 278 1HG GLN 30 1HG GLN 30 11.157 7.469 4.429 279 2HG GLN 30 2HG GLN 30 12.446 6.864 3.367 280 1HE2 GLN 30 1HE2 GLN 30 13.319 8.243 5.492 281 2HE2 GLN 30 2HE2 GLN 30 13.831 9.859 5.053 282 H ARG 31 H ARG 31 13.474 6.162 2.044 283 HA ARG 31 HA ARG 31 15.560 6.753 2.963 284 1HB ARG 31 1HB ARG 31 16.042 5.688 0.859 285 2HB ARG 31 2HB ARG 31 15.694 7.183 -0.043 286 1HG ARG 31 1HG ARG 31 17.696 7.604 2.058 287 2HG ARG 31 2HG ARG 31 18.203 6.360 0.889 288 1HD ARG 31 1HD ARG 31 17.105 8.300 -0.748 289 2HD ARG 31 2HD ARG 31 17.865 9.272 0.530 290 HE ARG 31 HE ARG 31 19.594 7.166 -0.482 291 1HH1 ARG 31 2HH2 ARG 31 18.394 10.454 -0.981 292 2HH1 ARG 31 1HH2 ARG 31 19.794 10.973 -1.893 293 1HH2 ARG 31 2HH1 ARG 31 21.442 7.851 -1.688 294 2HH2 ARG 31 1HH1 ARG 31 21.531 9.488 -2.296 295 H GLY 32 H GLY 32 15.085 8.608 4.262 296 1HA GLY 32 1HA GLY 32 16.280 11.069 3.152 297 2HA GLY 32 2HA GLY 32 14.616 11.170 3.771 Start of MODEL 20 1 HA PRO 1 HA PRO 1 -22.748 7.086 -3.339 2 1HB PRO 1 1HB PRO 1 -20.060 7.264 -2.931 3 2HB PRO 1 2HB PRO 1 -20.817 7.769 -4.477 4 1HG PRO 1 1HG PRO 1 -20.091 9.536 -2.122 5 2HG PRO 1 2HG PRO 1 -19.637 9.773 -3.842 6 1HD PRO 1 1HD PRO 1 -21.800 11.027 -2.757 7 2HD PRO 1 2HD PRO 1 -21.874 10.367 -4.419 8 HA PRO 2 HA PRO 2 -22.556 5.996 0.922 9 1HB PRO 2 1HB PRO 2 -21.028 3.740 0.979 10 2HB PRO 2 2HB PRO 2 -22.600 3.796 0.117 11 1HG PRO 2 1HG PRO 2 -19.839 4.205 -1.067 12 2HG PRO 2 2HG PRO 2 -21.112 3.079 -1.640 13 1HD PRO 2 1HD PRO 2 -20.794 5.549 -2.748 14 2HD PRO 2 2HD PRO 2 -22.432 4.887 -2.462 15 H LEU 3 H LEU 3 -20.052 7.460 -0.627 16 HA LEU 3 HA LEU 3 -18.304 8.689 0.243 17 1HB LEU 3 1HB LEU 3 -19.735 7.909 2.572 18 2HB LEU 3 2HB LEU 3 -18.017 7.564 2.886 19 HG LEU 3 HG LEU 3 -18.279 10.100 1.504 20 1HD1 LEU 3 1HD1 LEU 3 -20.320 10.688 2.384 21 2HD1 LEU 3 2HD1 LEU 3 -20.194 9.525 3.725 22 3HD1 LEU 3 3HD1 LEU 3 -19.322 11.074 3.806 23 1HD2 LEU 3 1HD2 LEU 3 -16.379 9.263 2.927 24 2HD2 LEU 3 2HD2 LEU 3 -16.963 10.876 3.402 25 3HD2 LEU 3 3HD2 LEU 3 -17.426 9.446 4.355 26 H SER 4 H SER 4 -18.587 5.396 -0.142 27 HA SER 4 HA SER 4 -15.645 5.031 0.184 28 1HB SER 4 1HB SER 4 -16.066 2.705 0.735 29 2HB SER 4 2HB SER 4 -17.032 3.730 1.823 30 HG SER 4 HG SER 4 -18.600 2.520 1.115 31 H GLN 5 H GLN 5 -15.942 2.340 -1.074 32 HA GLN 5 HA GLN 5 -15.902 1.393 -3.159 33 1HB GLN 5 1HB GLN 5 -18.125 1.855 -3.651 34 2HB GLN 5 2HB GLN 5 -17.895 3.617 -3.536 35 1HG GLN 5 1HG GLN 5 -16.604 3.608 -5.625 36 2HG GLN 5 2HG GLN 5 -16.745 1.840 -5.727 37 1HE2 GLN 5 1HE2 GLN 5 -17.677 3.990 -7.599 38 2HE2 GLN 5 2HE2 GLN 5 -19.397 3.723 -7.792 39 H GLU 6 H GLU 6 -15.851 4.983 -3.591 40 HA GLU 6 HA GLU 6 -14.330 5.353 -5.758 41 1HB GLU 6 1HB GLU 6 -14.319 6.647 -3.061 42 2HB GLU 6 2HB GLU 6 -13.012 7.085 -4.186 43 1HG GLU 6 1HG GLU 6 -15.909 7.048 -5.071 44 2HG GLU 6 2HG GLU 6 -15.208 8.471 -4.270 45 H THR 7 H THR 7 -12.738 4.819 -2.556 46 HA THR 7 HA THR 7 -10.289 4.003 -3.971 47 HB THR 7 HB THR 7 -10.243 3.755 -1.069 48 HG1 THR 7 1HG THR 7 -10.989 6.262 -2.175 49 1HG2 THR 7 1HG2 THR 7 -8.327 5.195 -1.322 50 2HG2 THR 7 2HG2 THR 7 -8.335 4.096 -2.722 51 3HG2 THR 7 3HG2 THR 7 -8.897 5.774 -2.905 52 H PHE 8 H PHE 8 -11.101 2.585 -0.876 53 HA PHE 8 HA PHE 8 -10.614 0.233 -0.566 54 1HB PHE 8 1HB PHE 8 -13.465 0.242 -1.546 55 2HB PHE 8 2HB PHE 8 -12.758 -0.635 -0.178 56 HD1 PHE 8 1HD PHE 8 -12.817 2.982 -1.218 57 HD2 PHE 8 2HD PHE 8 -13.650 0.074 1.832 58 HE1 PHE 8 1HE PHE 8 -13.532 4.795 0.315 59 HE2 PHE 8 2HE PHE 8 -14.365 1.887 3.365 60 HZ PHE 8 HZ PHE 8 -14.307 4.248 2.606 61 H SER 9 H SER 9 -12.767 0.542 -3.453 62 HA SER 9 HA SER 9 -12.474 -1.828 -4.675 63 1HB SER 9 1HB SER 9 -13.580 0.257 -5.591 64 2HB SER 9 2HB SER 9 -11.975 0.778 -6.157 65 HG SER 9 HG SER 9 -13.548 -0.661 -7.506 66 H ASP 10 H ASP 10 -10.059 0.810 -5.196 67 HA ASP 10 HA ASP 10 -8.093 -1.298 -5.922 68 1HB ASP 10 1HB ASP 10 -8.738 1.357 -6.922 69 2HB ASP 10 2HB ASP 10 -7.027 1.250 -6.454 70 H LEU 11 H LEU 11 -8.995 0.997 -3.491 71 HA LEU 11 HA LEU 11 -6.406 1.539 -2.406 72 1HB LEU 11 1HB LEU 11 -8.837 2.577 -1.996 73 2HB LEU 11 2HB LEU 11 -8.834 1.409 -0.653 74 HG LEU 11 HG LEU 11 -7.026 3.774 -1.138 75 1HD1 LEU 11 1HD1 LEU 11 -8.154 4.493 0.675 76 2HD1 LEU 11 2HD1 LEU 11 -9.053 2.957 0.734 77 3HD1 LEU 11 3HD1 LEU 11 -7.511 3.120 1.609 78 1HD2 LEU 11 1HD2 LEU 11 -6.323 1.159 0.223 79 2HD2 LEU 11 2HD2 LEU 11 -5.355 2.113 -0.927 80 3HD2 LEU 11 3HD2 LEU 11 -5.583 2.693 0.740 81 H TRP 12 H TRP 12 -8.999 -0.473 -0.908 82 HA TRP 12 HA TRP 12 -7.360 -1.831 0.882 83 1HB TRP 12 1HB TRP 12 -9.318 -2.745 1.406 84 2HB TRP 12 2HB TRP 12 -10.028 -1.923 0.010 85 HD1 TRP 12 HD TRP 12 -11.286 -3.457 -1.523 86 HE1 TRP 12 1HE TRP 12 -11.249 -5.919 -2.176 87 HE3 TRP 12 3HE TRP 12 -7.272 -4.971 1.269 88 HZ2 TRP 12 2HZ TRP 12 -9.673 -8.269 -1.566 89 HZ3 TRP 12 3HZ TRP 12 -6.534 -7.325 1.207 90 HH2 TRP 12 HH TRP 12 -7.720 -8.982 -0.201 91 H LYS 13 H LYS 13 -8.022 -2.524 -2.558 92 HA LYS 13 HA LYS 13 -6.659 -5.051 -2.579 93 1HB LYS 13 1HB LYS 13 -8.222 -3.509 -4.344 94 2HB LYS 13 2HB LYS 13 -6.631 -3.652 -5.129 95 1HG LYS 13 1HG LYS 13 -6.879 -6.193 -4.304 96 2HG LYS 13 2HG LYS 13 -8.610 -5.789 -4.401 97 1HD LYS 13 1HD LYS 13 -8.569 -5.868 -6.657 98 2HD LYS 13 2HD LYS 13 -7.171 -4.768 -6.722 99 1HE LYS 13 1HE LYS 13 -5.971 -7.045 -5.817 100 2HE LYS 13 2HE LYS 13 -7.270 -7.741 -6.809 101 1HZ LYS 13 1HZ LYS 13 -6.477 -6.671 -8.668 102 2HZ LYS 13 2HZ LYS 13 -5.534 -5.619 -7.818 103 3HZ LYS 13 3HZ LYS 13 -5.107 -7.209 -7.924 104 H LEU 14 H LEU 14 -5.678 -1.669 -2.927 105 HA LEU 14 HA LEU 14 -3.077 -2.246 -4.030 106 1HB LEU 14 1HB LEU 14 -4.549 0.115 -2.944 107 2HB LEU 14 2HB LEU 14 -2.771 0.194 -2.927 108 HG LEU 14 HG LEU 14 -4.424 0.739 -5.116 109 1HD1 LEU 14 1HD1 LEU 14 -2.128 1.549 -4.773 110 2HD1 LEU 14 2HD1 LEU 14 -1.493 -0.095 -5.020 111 3HD1 LEU 14 3HD1 LEU 14 -2.267 0.771 -6.368 112 1HD2 LEU 14 1HD2 LEU 14 -4.474 -1.954 -5.052 113 2HD2 LEU 14 2HD2 LEU 14 -4.430 -1.044 -6.581 114 3HD2 LEU 14 3HD2 LEU 14 -2.932 -1.735 -5.914 115 H LEU 15 H LEU 15 -4.398 -1.699 -0.748 116 HA LEU 15 HA LEU 15 -1.843 -1.745 0.559 117 1HB LEU 15 1HB LEU 15 -4.659 -1.514 1.257 118 2HB LEU 15 2HB LEU 15 -3.811 -2.603 2.380 119 HG LEU 15 HG LEU 15 -1.986 -0.806 2.521 120 1HD1 LEU 15 1HD1 LEU 15 -2.751 0.392 0.445 121 2HD1 LEU 15 2HD1 LEU 15 -4.211 0.900 1.327 122 3HD1 LEU 15 3HD1 LEU 15 -2.608 1.458 1.864 123 1HD2 LEU 15 1HD2 LEU 15 -4.277 0.629 3.596 124 2HD2 LEU 15 2HD2 LEU 15 -4.455 -1.121 3.866 125 3HD2 LEU 15 3HD2 LEU 15 -3.008 -0.272 4.460 126 H LYS 16 H LYS 16 -3.614 -4.146 -1.044 127 HA LYS 16 HA LYS 16 -3.061 -6.370 0.706 128 1HB LYS 16 1HB LYS 16 -4.651 -5.920 -1.510 129 2HB LYS 16 2HB LYS 16 -3.350 -6.939 -2.172 130 1HG LYS 16 1HG LYS 16 -4.440 -7.759 0.482 131 2HG LYS 16 2HG LYS 16 -5.535 -7.950 -0.909 132 1HD LYS 16 1HD LYS 16 -2.887 -8.830 -1.657 133 2HD LYS 16 2HD LYS 16 -3.366 -9.638 -0.146 134 1HE LYS 16 1HE LYS 16 -5.620 -10.099 -1.299 135 2HE LYS 16 2HE LYS 16 -4.820 -9.616 -2.810 136 1HZ LYS 16 1HZ LYS 16 -3.093 -11.312 -2.098 137 2HZ LYS 16 2HZ LYS 16 -4.262 -11.903 -1.096 138 3HZ LYS 16 3HZ LYS 16 -4.518 -11.858 -2.724 139 H LYS 17 H LYS 17 -0.866 -4.400 -0.415 140 HA LYS 17 HA LYS 17 1.199 -6.412 -0.526 141 1HB LYS 17 1HB LYS 17 1.194 -6.778 -2.745 142 2HB LYS 17 2HB LYS 17 -0.015 -5.500 -3.017 143 1HG LYS 17 1HG LYS 17 2.963 -5.017 -2.584 144 2HG LYS 17 2HG LYS 17 2.155 -5.031 -4.170 145 1HD LYS 17 1HD LYS 17 0.596 -3.323 -2.544 146 2HD LYS 17 2HD LYS 17 2.288 -2.900 -2.191 147 1HE LYS 17 1HE LYS 17 1.797 -3.363 -5.052 148 2HE LYS 17 2HE LYS 17 0.812 -2.040 -4.392 149 1HZ LYS 17 1HZ LYS 17 2.591 -0.806 -4.502 150 2HZ LYS 17 2HZ LYS 17 3.336 -1.750 -3.373 151 3HZ LYS 17 3HZ LYS 17 3.536 -2.070 -4.979 152 H TRP 18 H TRP 18 0.037 -3.093 -0.804 153 HA TRP 18 HA TRP 18 2.721 -1.965 -0.511 154 1HB TRP 18 1HB TRP 18 0.410 -1.076 -1.633 155 2HB TRP 18 2HB TRP 18 0.304 -0.310 -0.042 156 HD1 TRP 18 HD TRP 18 1.553 0.321 -3.376 157 HE1 TRP 18 1HE TRP 18 3.251 2.219 -3.454 158 HE3 TRP 18 3HE TRP 18 2.602 0.672 1.622 159 HZ2 TRP 18 2HZ TRP 18 4.873 3.714 -1.581 160 HZ3 TRP 18 3HZ TRP 18 4.226 2.342 2.435 161 HH2 TRP 18 HH TRP 18 5.368 3.867 0.851 162 H LYS 19 H LYS 19 -0.262 -2.349 1.456 163 HA LYS 19 HA LYS 19 0.371 -0.972 3.733 164 1HB LYS 19 1HB LYS 19 -1.632 -2.538 3.167 165 2HB LYS 19 2HB LYS 19 -0.643 -3.814 3.916 166 1HG LYS 19 1HG LYS 19 -0.621 -2.728 6.018 167 2HG LYS 19 2HG LYS 19 -1.106 -1.166 5.316 168 1HD LYS 19 1HD LYS 19 -3.240 -1.693 5.832 169 2HD LYS 19 2HD LYS 19 -3.153 -2.967 4.592 170 1HE LYS 19 1HE LYS 19 -1.973 -3.529 7.297 171 2HE LYS 19 2HE LYS 19 -3.743 -3.533 7.137 172 1HZ LYS 19 1HZ LYS 19 -3.218 -5.009 5.128 173 2HZ LYS 19 2HZ LYS 19 -1.783 -5.278 5.895 174 3HZ LYS 19 3HZ LYS 19 -3.202 -5.657 6.645 175 H MET 20 H MET 20 1.442 -4.336 2.982 176 HA MET 20 HA MET 20 3.024 -4.655 5.309 177 1HB MET 20 1HB MET 20 4.171 -6.428 3.912 178 2HB MET 20 2HB MET 20 2.398 -6.565 3.984 179 1HG MET 20 1HG MET 20 2.271 -6.390 1.759 180 2HG MET 20 2HG MET 20 3.066 -4.808 1.828 181 1HE MET 20 1HE MET 20 6.767 -6.321 2.272 182 2HE MET 20 2HE MET 20 6.212 -4.788 1.559 183 3HE MET 20 3HE MET 20 5.538 -5.343 3.110 184 H ARG 21 H ARG 21 3.906 -3.595 1.980 185 HA ARG 21 HA ARG 21 6.656 -3.215 2.460 186 1HB ARG 21 1HB ARG 21 4.772 -1.709 0.601 187 2HB ARG 21 2HB ARG 21 6.549 -1.715 0.493 188 1HG ARG 21 1HG ARG 21 6.621 -4.021 -0.065 189 2HG ARG 21 2HG ARG 21 4.951 -4.293 0.487 190 1HD ARG 21 1HD ARG 21 5.443 -4.091 -2.086 191 2HD ARG 21 2HD ARG 21 4.019 -3.278 -1.401 192 HE ARG 21 HE ARG 21 5.858 -1.316 -1.216 193 1HH1 ARG 21 2HH2 ARG 21 5.070 -3.556 -3.835 194 2HH1 ARG 21 1HH2 ARG 21 5.525 -2.444 -5.107 195 1HH2 ARG 21 2HH1 ARG 21 6.459 0.153 -2.896 196 2HH2 ARG 21 1HH1 ARG 21 6.317 -0.330 -4.571 197 H ARG 22 H ARG 22 3.830 -1.211 3.214 198 HA ARG 22 HA ARG 22 5.247 1.205 3.761 199 1HB ARG 22 1HB ARG 22 2.804 1.073 3.387 200 2HB ARG 22 2HB ARG 22 2.626 0.160 4.905 201 1HG ARG 22 1HG ARG 22 2.230 2.296 5.704 202 2HG ARG 22 2HG ARG 22 4.001 2.247 5.878 203 1HD ARG 22 1HD ARG 22 2.763 3.166 3.283 204 2HD ARG 22 2HD ARG 22 2.868 4.286 4.658 205 HE ARG 22 HE ARG 22 5.386 2.957 4.120 206 1HH1 ARG 22 2HH2 ARG 22 3.241 5.599 3.163 207 2HH1 ARG 22 1HH2 ARG 22 4.527 6.589 2.510 208 1HH2 ARG 22 2HH1 ARG 22 7.085 4.264 3.258 209 2HH2 ARG 22 1HH1 ARG 22 6.719 5.828 2.564 210 H ASN 23 H ASN 23 6.083 -1.567 5.008 211 HA ASN 23 HA ASN 23 6.836 -0.374 7.591 212 1HB ASN 23 1HB ASN 23 4.603 -1.991 7.476 213 2HB ASN 23 2HB ASN 23 5.891 -3.155 7.855 214 1HD2 ASN 23 1HD2 ASN 23 7.407 -2.523 9.670 215 2HD2 ASN 23 2HD2 ASN 23 6.712 -1.693 11.046 216 H GLN 24 H GLN 24 7.898 -1.483 4.856 217 HA GLN 24 HA GLN 24 10.330 -2.568 5.977 218 1HB GLN 24 1HB GLN 24 8.363 -4.383 4.550 219 2HB GLN 24 2HB GLN 24 10.108 -4.730 4.605 220 1HG GLN 24 1HG GLN 24 9.773 -4.258 7.203 221 2HG GLN 24 2HG GLN 24 8.089 -4.690 6.835 222 1HE2 GLN 24 1HE2 GLN 24 7.917 -6.699 7.758 223 2HE2 GLN 24 2HE2 GLN 24 8.913 -8.070 7.318 224 H PHE 25 H PHE 25 9.259 -3.757 2.873 225 HA PHE 25 HA PHE 25 11.291 -2.833 1.335 226 1HB PHE 25 1HB PHE 25 9.701 -4.228 0.318 227 2HB PHE 25 2HB PHE 25 8.351 -3.162 0.746 228 HD1 PHE 25 1HD PHE 25 8.694 -0.646 -0.263 229 HD2 PHE 25 2HD PHE 25 10.274 -4.282 -1.916 230 HE1 PHE 25 1HE PHE 25 8.832 0.429 -2.494 231 HE2 PHE 25 2HE PHE 25 10.413 -3.207 -4.147 232 HZ PHE 25 HZ PHE 25 9.692 -0.852 -4.436 233 H TRP 26 H TRP 26 8.456 -0.944 2.409 234 HA TRP 26 HA TRP 26 8.721 1.330 0.843 235 1HB TRP 26 1HB TRP 26 7.429 2.401 2.437 236 2HB TRP 26 2HB TRP 26 7.052 0.697 2.729 237 HD1 TRP 26 HD TRP 26 7.469 -0.229 5.072 238 HE1 TRP 26 1HE TRP 26 8.386 0.678 7.268 239 HE3 TRP 26 3HE TRP 26 9.353 4.221 3.385 240 HZ2 TRP 26 2HZ TRP 26 9.770 3.045 8.193 241 HZ3 TRP 26 3HZ TRP 26 10.462 5.773 4.951 242 HH2 TRP 26 HH TRP 26 10.678 5.202 7.351 243 H VAL 27 H VAL 27 10.551 0.418 3.787 244 HA VAL 27 HA VAL 27 11.949 2.690 4.364 245 HB VAL 27 HB VAL 27 13.718 1.268 5.180 246 1HG1 VAL 27 1HG1 VAL 27 11.842 -0.830 5.654 247 2HG1 VAL 27 2HG1 VAL 27 12.247 0.535 6.722 248 3HG1 VAL 27 3HG1 VAL 27 10.914 0.686 5.551 249 1HG2 VAL 27 1HG2 VAL 27 12.650 -0.630 3.076 250 2HG2 VAL 27 2HG2 VAL 27 14.324 -0.087 3.346 251 3HG2 VAL 27 3HG2 VAL 27 13.570 -1.242 4.471 252 H LYS 28 H LYS 28 12.634 0.411 1.672 253 HA LYS 28 HA LYS 28 14.959 1.769 0.740 254 1HB LYS 28 1HB LYS 28 12.968 -0.156 -0.474 255 2HB LYS 28 2HB LYS 28 14.276 0.550 -1.452 256 1HG LYS 28 1HG LYS 28 15.619 -1.077 -0.640 257 2HG LYS 28 2HG LYS 28 15.528 -0.252 0.934 258 1HD LYS 28 1HD LYS 28 13.198 -1.576 1.062 259 2HD LYS 28 2HD LYS 28 14.052 -2.672 -0.050 260 1HE LYS 28 1HE LYS 28 15.381 -1.688 2.483 261 2HE LYS 28 2HE LYS 28 14.272 -3.075 2.521 262 1HZ LYS 28 1HZ LYS 28 15.674 -4.018 0.733 263 2HZ LYS 28 2HZ LYS 28 16.770 -2.819 1.016 264 3HZ LYS 28 3HZ LYS 28 16.407 -3.901 2.206 265 H VAL 29 H VAL 29 11.473 2.145 0.095 266 HA VAL 29 HA VAL 29 11.477 3.746 -2.152 267 HB VAL 29 HB VAL 29 9.809 4.010 0.380 268 1HG1 VAL 29 1HG1 VAL 29 9.664 5.301 -2.348 269 2HG1 VAL 29 2HG1 VAL 29 8.166 4.950 -1.454 270 3HG1 VAL 29 3HG1 VAL 29 9.395 6.024 -0.744 271 1HG2 VAL 29 1HG2 VAL 29 9.845 1.795 -0.894 272 2HG2 VAL 29 2HG2 VAL 29 8.249 2.568 -0.743 273 3HG2 VAL 29 3HG2 VAL 29 9.150 2.678 -2.274 274 H GLN 30 H GLN 30 12.964 4.393 0.887 275 HA GLN 30 HA GLN 30 13.014 7.310 0.384 276 1HB GLN 30 1HB GLN 30 13.360 7.546 2.625 277 2HB GLN 30 2HB GLN 30 12.681 5.902 2.692 278 1HG GLN 30 1HG GLN 30 15.033 5.011 2.438 279 2HG GLN 30 2HG GLN 30 15.623 6.679 2.603 280 1HE2 GLN 30 1HE2 GLN 30 16.199 4.420 4.367 281 2HE2 GLN 30 2HE2 GLN 30 15.578 4.842 5.948 282 H ARG 31 H ARG 31 15.139 4.445 0.698 283 HA ARG 31 HA ARG 31 17.477 4.367 0.476 284 1HB ARG 31 1HB ARG 31 16.602 3.644 -1.650 285 2HB ARG 31 2HB ARG 31 16.337 5.324 -2.175 286 1HG ARG 31 1HG ARG 31 18.572 5.687 -2.606 287 2HG ARG 31 2HG ARG 31 19.109 4.582 -1.318 288 1HD ARG 31 1HD ARG 31 18.305 2.657 -2.723 289 2HD ARG 31 2HD ARG 31 17.955 3.811 -4.028 290 HE ARG 31 HE ARG 31 20.206 3.877 -4.530 291 1HH1 ARG 31 2HH2 ARG 31 19.735 2.617 -1.261 292 2HH1 ARG 31 1HH2 ARG 31 21.421 2.214 -1.026 293 1HH2 ARG 31 2HH1 ARG 31 22.433 3.344 -4.220 294 2HH2 ARG 31 1HH1 ARG 31 22.959 2.628 -2.713 295 H GLY 32 H GLY 32 17.835 6.194 2.037 296 1HA GLY 32 1HA GLY 32 19.478 8.226 0.729 297 2HA GLY 32 2HA GLY 32 18.042 8.858 1.567 Start of MODEL 21 1 HA PRO 1 HA PRO 1 -12.398 10.808 2.980 2 1HB PRO 1 1HB PRO 1 -14.860 9.719 3.395 3 2HB PRO 1 2HB PRO 1 -13.975 10.578 4.697 4 1HG PRO 1 1HG PRO 1 -16.099 11.717 2.857 5 2HG PRO 1 2HG PRO 1 -16.058 11.792 4.649 6 1HD PRO 1 1HD PRO 1 -15.135 13.850 3.119 7 2HD PRO 1 2HD PRO 1 -14.267 13.367 4.608 8 HA PRO 2 HA PRO 2 -13.294 9.779 -1.208 9 1HB PRO 2 1HB PRO 2 -13.030 7.067 -1.191 10 2HB PRO 2 2HB PRO 2 -11.643 8.154 -0.860 11 1HG PRO 2 1HG PRO 2 -13.443 6.802 1.170 12 2HG PRO 2 2HG PRO 2 -11.650 6.769 1.113 13 1HD PRO 2 1HD PRO 2 -12.991 8.547 2.685 14 2HD PRO 2 2HD PRO 2 -11.522 9.051 1.795 15 H LEU 3 H LEU 3 -15.412 9.370 1.297 16 HA LEU 3 HA LEU 3 -17.731 9.249 1.163 17 1HB LEU 3 1HB LEU 3 -17.090 9.374 -1.516 18 2HB LEU 3 2HB LEU 3 -17.893 7.790 -1.398 19 HG LEU 3 HG LEU 3 -19.503 9.651 -1.845 20 1HD1 LEU 3 1HD1 LEU 3 -19.941 7.523 -0.372 21 2HD1 LEU 3 2HD1 LEU 3 -19.972 8.680 0.980 22 3HD1 LEU 3 3HD1 LEU 3 -21.134 8.844 -0.358 23 1HD2 LEU 3 1HD2 LEU 3 -18.043 11.258 -0.384 24 2HD2 LEU 3 2HD2 LEU 3 -19.813 11.436 -0.338 25 3HD2 LEU 3 3HD2 LEU 3 -18.969 10.591 0.982 26 H SER 4 H SER 4 -15.388 6.812 0.864 27 HA SER 4 HA SER 4 -15.340 4.725 1.841 28 1HB SER 4 1HB SER 4 -18.311 4.781 2.341 29 2HB SER 4 2HB SER 4 -17.013 4.050 3.315 30 HG SER 4 HG SER 4 -16.565 5.947 4.178 31 H GLN 5 H GLN 5 -15.199 2.893 0.675 32 HA GLN 5 HA GLN 5 -15.952 1.156 -0.690 33 1HB GLN 5 1HB GLN 5 -18.328 2.131 -0.114 34 2HB GLN 5 2HB GLN 5 -18.214 2.849 -1.739 35 1HG GLN 5 1HG GLN 5 -17.320 0.202 -2.057 36 2HG GLN 5 2HG GLN 5 -18.715 0.078 -0.963 37 1HE2 GLN 5 1HE2 GLN 5 -17.620 0.750 -4.209 38 2HE2 GLN 5 2HE2 GLN 5 -19.196 0.994 -4.930 39 H GLU 6 H GLU 6 -16.024 4.554 -1.757 40 HA GLU 6 HA GLU 6 -15.692 4.236 -4.503 41 1HB GLU 6 1HB GLU 6 -14.513 6.261 -2.569 42 2HB GLU 6 2HB GLU 6 -14.403 6.413 -4.339 43 1HG GLU 6 1HG GLU 6 -17.046 5.917 -4.119 44 2HG GLU 6 2HG GLU 6 -16.775 6.675 -2.534 45 H THR 7 H THR 7 -13.153 4.283 -1.945 46 HA THR 7 HA THR 7 -11.170 3.420 -3.956 47 HB THR 7 HB THR 7 -10.244 3.613 -1.193 48 HG1 THR 7 1HG THR 7 -10.592 5.967 -1.248 49 1HG2 THR 7 1HG2 THR 7 -8.451 4.550 -2.252 50 2HG2 THR 7 2HG2 THR 7 -9.237 3.937 -3.726 51 3HG2 THR 7 3HG2 THR 7 -9.471 5.631 -3.232 52 H PHE 8 H PHE 8 -10.989 2.451 -0.578 53 HA PHE 8 HA PHE 8 -10.202 0.189 -0.139 54 1HB PHE 8 1HB PHE 8 -13.195 -0.110 -0.192 55 2HB PHE 8 2HB PHE 8 -12.032 -0.659 1.028 56 HD1 PHE 8 1HD PHE 8 -12.785 2.677 -0.544 57 HD2 PHE 8 2HD PHE 8 -12.404 0.374 3.062 58 HE1 PHE 8 1HE PHE 8 -13.238 4.710 0.803 59 HE2 PHE 8 2HE PHE 8 -12.856 2.406 4.408 60 HZ PHE 8 HZ PHE 8 -13.274 4.575 3.279 61 H SER 9 H SER 9 -13.146 -0.042 -2.223 62 HA SER 9 HA SER 9 -13.023 -2.548 -3.163 63 1HB SER 9 1HB SER 9 -14.535 -0.678 -3.952 64 2HB SER 9 2HB SER 9 -13.227 -0.173 -5.049 65 HG SER 9 HG SER 9 -14.679 -1.600 -6.069 66 H ASP 10 H ASP 10 -11.129 0.084 -4.761 67 HA ASP 10 HA ASP 10 -9.410 -1.961 -5.995 68 1HB ASP 10 1HB ASP 10 -10.114 0.870 -6.453 69 2HB ASP 10 2HB ASP 10 -8.395 0.497 -6.705 70 H LEU 11 H LEU 11 -9.317 0.627 -3.546 71 HA LEU 11 HA LEU 11 -6.517 0.685 -3.146 72 1HB LEU 11 1HB LEU 11 -8.828 1.869 -2.030 73 2HB LEU 11 2HB LEU 11 -7.999 1.056 -0.681 74 HG LEU 11 HG LEU 11 -5.859 2.153 -1.402 75 1HD1 LEU 11 1HD1 LEU 11 -6.611 4.309 -2.911 76 2HD1 LEU 11 2HD1 LEU 11 -5.914 2.818 -3.587 77 3HD1 LEU 11 3HD1 LEU 11 -7.679 3.049 -3.576 78 1HD2 LEU 11 1HD2 LEU 11 -6.692 3.416 0.318 79 2HD2 LEU 11 2HD2 LEU 11 -6.958 4.611 -0.975 80 3HD2 LEU 11 3HD2 LEU 11 -8.297 3.569 -0.437 81 H TRP 12 H TRP 12 -8.833 -0.734 -0.787 82 HA TRP 12 HA TRP 12 -7.127 -2.274 0.664 83 1HB TRP 12 1HB TRP 12 -9.937 -2.259 0.050 84 2HB TRP 12 2HB TRP 12 -9.373 -3.933 0.135 85 HD1 TRP 12 HD TRP 12 -10.963 -1.600 2.240 86 HE1 TRP 12 1HE TRP 12 -10.492 -1.934 4.721 87 HE3 TRP 12 3HE TRP 12 -6.832 -4.600 1.879 88 HZ2 TRP 12 2HZ TRP 12 -8.559 -3.331 6.360 89 HZ3 TRP 12 3HZ TRP 12 -5.705 -5.411 3.919 90 HH2 TRP 12 HH TRP 12 -6.553 -4.787 6.161 91 H LYS 13 H LYS 13 -8.881 -3.571 -2.218 92 HA LYS 13 HA LYS 13 -7.553 -6.003 -2.403 93 1HB LYS 13 1HB LYS 13 -9.520 -5.008 -3.782 94 2HB LYS 13 2HB LYS 13 -8.248 -4.368 -4.851 95 1HG LYS 13 1HG LYS 13 -7.950 -7.224 -4.064 96 2HG LYS 13 2HG LYS 13 -9.338 -6.859 -5.116 97 1HD LYS 13 1HD LYS 13 -7.562 -5.450 -6.475 98 2HD LYS 13 2HD LYS 13 -6.389 -6.502 -5.648 99 1HE LYS 13 1HE LYS 13 -7.341 -8.475 -6.579 100 2HE LYS 13 2HE LYS 13 -8.814 -7.621 -7.085 101 1HZ LYS 13 1HZ LYS 13 -7.454 -7.953 -8.951 102 2HZ LYS 13 2HZ LYS 13 -7.391 -6.344 -8.594 103 3HZ LYS 13 3HZ LYS 13 -6.122 -7.325 -8.208 104 H LEU 14 H LEU 14 -6.565 -2.802 -3.683 105 HA LEU 14 HA LEU 14 -4.265 -3.710 -5.079 106 1HB LEU 14 1HB LEU 14 -5.238 -1.095 -3.956 107 2HB LEU 14 2HB LEU 14 -3.554 -1.219 -4.521 108 HG LEU 14 HG LEU 14 -5.860 -0.808 -6.106 109 1HD1 LEU 14 1HD1 LEU 14 -2.948 -1.460 -6.588 110 2HD1 LEU 14 2HD1 LEU 14 -4.065 -1.299 -7.964 111 3HD1 LEU 14 3HD1 LEU 14 -3.818 0.071 -6.855 112 1HD2 LEU 14 1HD2 LEU 14 -4.630 -3.472 -6.849 113 2HD2 LEU 14 2HD2 LEU 14 -6.037 -3.393 -5.763 114 3HD2 LEU 14 3HD2 LEU 14 -6.152 -2.746 -7.417 115 H LEU 15 H LEU 15 -4.711 -2.468 -1.732 116 HA LEU 15 HA LEU 15 -1.932 -2.761 -1.045 117 1HB LEU 15 1HB LEU 15 -4.416 -1.864 0.189 118 2HB LEU 15 2HB LEU 15 -3.458 -2.859 1.312 119 HG LEU 15 HG LEU 15 -1.633 -1.401 1.257 120 1HD1 LEU 15 1HD1 LEU 15 -0.911 -0.981 -0.858 121 2HD1 LEU 15 2HD1 LEU 15 -2.564 -0.979 -1.518 122 3HD1 LEU 15 3HD1 LEU 15 -1.913 0.485 -0.743 123 1HD2 LEU 15 1HD2 LEU 15 -3.325 -0.160 2.371 124 2HD2 LEU 15 2HD2 LEU 15 -2.633 0.988 1.200 125 3HD2 LEU 15 3HD2 LEU 15 -4.185 0.189 0.853 126 H LYS 16 H LYS 16 -4.503 -4.980 -1.504 127 HA LYS 16 HA LYS 16 -3.802 -6.918 0.489 128 1HB LYS 16 1HB LYS 16 -5.888 -6.574 -1.228 129 2HB LYS 16 2HB LYS 16 -4.977 -7.845 -2.079 130 1HG LYS 16 1HG LYS 16 -5.135 -8.312 0.820 131 2HG LYS 16 2HG LYS 16 -6.737 -8.242 0.049 132 1HD LYS 16 1HD LYS 16 -6.282 -10.054 -1.365 133 2HD LYS 16 2HD LYS 16 -4.519 -9.837 -1.240 134 1HE LYS 16 1HE LYS 16 -5.983 -10.428 1.296 135 2HE LYS 16 2HE LYS 16 -5.869 -11.753 0.117 136 1HZ LYS 16 1HZ LYS 16 -3.419 -10.391 0.456 137 2HZ LYS 16 2HZ LYS 16 -3.971 -11.014 1.880 138 3HZ LYS 16 3HZ LYS 16 -3.755 -12.001 0.576 139 H LYS 17 H LYS 17 -1.761 -5.690 -1.618 140 HA LYS 17 HA LYS 17 -0.121 -8.069 -1.713 141 1HB LYS 17 1HB LYS 17 -0.943 -8.846 -3.676 142 2HB LYS 17 2HB LYS 17 -1.779 -7.316 -4.038 143 1HG LYS 17 1HG LYS 17 1.221 -7.779 -4.326 144 2HG LYS 17 2HG LYS 17 0.051 -7.811 -5.667 145 1HD LYS 17 1HD LYS 17 -0.446 -5.412 -4.221 146 2HD LYS 17 2HD LYS 17 1.320 -5.529 -4.413 147 1HE LYS 17 1HE LYS 17 0.299 -6.345 -6.892 148 2HE LYS 17 2HE LYS 17 -0.746 -4.987 -6.417 149 1HZ LYS 17 1HZ LYS 17 1.089 -4.135 -7.561 150 2HZ LYS 17 2HZ LYS 17 1.319 -3.755 -5.973 151 3HZ LYS 17 3HZ LYS 17 2.175 -4.986 -6.659 152 H TRP 18 H TRP 18 -0.791 -4.696 -2.166 153 HA TRP 18 HA TRP 18 2.002 -4.111 -2.923 154 1HB TRP 18 1HB TRP 18 -0.419 -2.975 -3.578 155 2HB TRP 18 2HB TRP 18 0.165 -1.892 -2.307 156 HD1 TRP 18 HD TRP 18 0.201 -2.188 -5.874 157 HE1 TRP 18 1HE TRP 18 2.094 -0.890 -6.978 158 HE3 TRP 18 3HE TRP 18 3.134 -1.380 -1.757 159 HZ2 TRP 18 2HZ TRP 18 4.584 0.352 -6.181 160 HZ3 TRP 18 3HZ TRP 18 5.255 -0.137 -1.969 161 HH2 TRP 18 HH TRP 18 5.993 0.733 -4.168 162 H LYS 19 H LYS 19 -0.363 -3.463 -0.293 163 HA LYS 19 HA LYS 19 1.019 -1.852 1.400 164 1HB LYS 19 1HB LYS 19 -1.215 -3.211 1.686 165 2HB LYS 19 2HB LYS 19 -0.169 -4.387 2.519 166 1HG LYS 19 1HG LYS 19 0.563 -1.795 3.465 167 2HG LYS 19 2HG LYS 19 -1.214 -1.884 3.508 168 1HD LYS 19 1HD LYS 19 -0.023 -4.383 4.423 169 2HD LYS 19 2HD LYS 19 0.584 -3.005 5.371 170 1HE LYS 19 1HE LYS 19 -1.346 -3.172 6.541 171 2HE LYS 19 2HE LYS 19 -2.115 -2.429 5.122 172 1HZ LYS 19 1HZ LYS 19 -3.077 -4.556 5.946 173 2HZ LYS 19 2HZ LYS 19 -2.732 -4.498 4.334 174 3HZ LYS 19 3HZ LYS 19 -1.737 -5.319 5.362 175 H MET 20 H MET 20 1.478 -5.427 1.196 176 HA MET 20 HA MET 20 3.313 -5.996 3.047 177 1HB MET 20 1HB MET 20 4.590 -7.227 1.063 178 2HB MET 20 2HB MET 20 2.963 -7.741 1.570 179 1HG MET 20 1HG MET 20 2.136 -7.245 -0.447 180 2HG MET 20 2HG MET 20 2.706 -5.575 -0.296 181 1HE MET 20 1HE MET 20 3.310 -5.206 -3.028 182 2HE MET 20 2HE MET 20 4.116 -4.509 -1.602 183 3HE MET 20 3HE MET 20 5.087 -5.137 -2.955 184 H ARG 21 H ARG 21 3.996 -4.045 0.123 185 HA ARG 21 HA ARG 21 6.721 -3.513 1.160 186 1HB ARG 21 1HB ARG 21 5.359 -3.074 -1.518 187 2HB ARG 21 2HB ARG 21 6.964 -2.410 -1.127 188 1HG ARG 21 1HG ARG 21 6.241 -5.358 -0.879 189 2HG ARG 21 2HG ARG 21 7.027 -4.647 -2.309 190 1HD ARG 21 1HD ARG 21 8.870 -3.820 -0.845 191 2HD ARG 21 2HD ARG 21 8.098 -4.616 0.543 192 HE ARG 21 HE ARG 21 8.782 -6.280 -1.810 193 1HH1 ARG 21 2HH2 ARG 21 9.445 -5.235 1.502 194 2HH1 ARG 21 1HH2 ARG 21 10.481 -6.596 1.870 195 1HH2 ARG 21 2HH1 ARG 21 10.150 -8.078 -1.324 196 2HH2 ARG 21 1HH1 ARG 21 10.883 -8.217 0.258 197 H ARG 22 H ARG 22 3.725 -1.861 0.059 198 HA ARG 22 HA ARG 22 4.678 0.772 0.682 199 1HB ARG 22 1HB ARG 22 2.791 0.152 -0.896 200 2HB ARG 22 2HB ARG 22 1.799 -0.190 0.542 201 1HG ARG 22 1HG ARG 22 1.251 2.018 0.425 202 2HG ARG 22 2HG ARG 22 2.850 2.282 1.161 203 1HD ARG 22 1HD ARG 22 2.052 2.455 -1.756 204 2HD ARG 22 2HD ARG 22 2.847 3.683 -0.749 205 HE ARG 22 HE ARG 22 4.408 1.243 -1.053 206 1HH1 ARG 22 2HH2 ARG 22 3.561 4.380 -2.449 207 2HH1 ARG 22 1HH2 ARG 22 5.043 4.524 -3.368 208 1HH2 ARG 22 2HH1 ARG 22 6.365 1.435 -2.267 209 2HH2 ARG 22 1HH1 ARG 22 6.641 2.845 -3.264 210 H ASN 23 H ASN 23 4.808 -1.475 2.790 211 HA ASN 23 HA ASN 23 3.818 0.224 4.991 212 1HB ASN 23 1HB ASN 23 2.339 -1.964 4.100 213 2HB ASN 23 2HB ASN 23 3.274 -2.616 5.464 214 1HD2 ASN 23 1HD2 ASN 23 2.618 -2.180 7.518 215 2HD2 ASN 23 2HD2 ASN 23 1.369 -1.029 7.941 216 H GLN 24 H GLN 24 6.389 -0.935 3.613 217 HA GLN 24 HA GLN 24 7.875 -1.195 6.071 218 1HB GLN 24 1HB GLN 24 7.271 -3.649 4.402 219 2HB GLN 24 2HB GLN 24 8.745 -3.532 5.392 220 1HG GLN 24 1HG GLN 24 6.973 -2.732 7.240 221 2HG GLN 24 2HG GLN 24 5.873 -3.703 6.238 222 1HE2 GLN 24 1HE2 GLN 24 5.586 -5.354 7.771 223 2HE2 GLN 24 2HE2 GLN 24 6.865 -6.469 8.200 224 H PHE 25 H PHE 25 8.987 -3.117 3.407 225 HA PHE 25 HA PHE 25 11.364 -1.945 2.937 226 1HB PHE 25 1HB PHE 25 10.796 -3.849 1.671 227 2HB PHE 25 2HB PHE 25 9.348 -3.081 0.996 228 HD1 PHE 25 1HD PHE 25 9.913 -0.802 -0.356 229 HD2 PHE 25 2HD PHE 25 12.600 -4.098 0.251 230 HE1 PHE 25 1HE PHE 25 11.207 -0.115 -2.357 231 HE2 PHE 25 2HE PHE 25 13.894 -3.411 -1.750 232 HZ PHE 25 HZ PHE 25 13.198 -1.420 -3.054 233 H TRP 26 H TRP 26 8.252 -0.796 1.541 234 HA TRP 26 HA TRP 26 9.083 1.225 -0.103 235 1HB TRP 26 1HB TRP 26 6.981 2.157 0.167 236 2HB TRP 26 2HB TRP 26 6.721 0.482 0.673 237 HD1 TRP 26 HD TRP 26 5.820 0.072 3.031 238 HE1 TRP 26 1HE TRP 26 5.143 1.523 5.012 239 HE3 TRP 26 3HE TRP 26 7.702 4.554 1.428 240 HZ2 TRP 26 2HZ TRP 26 5.383 4.294 5.813 241 HZ3 TRP 26 3HZ TRP 26 7.459 6.573 2.825 242 HH2 TRP 26 HH TRP 26 6.305 6.461 5.015 243 H VAL 27 H VAL 27 8.905 1.329 3.478 244 HA VAL 27 HA VAL 27 9.420 3.952 4.031 245 HB VAL 27 HB VAL 27 10.520 3.199 6.049 246 1HG1 VAL 27 1HG1 VAL 27 8.941 0.837 6.064 247 2HG1 VAL 27 2HG1 VAL 27 8.485 2.449 6.665 248 3HG1 VAL 27 3HG1 VAL 27 8.111 1.986 4.987 249 1HG2 VAL 27 1HG2 VAL 27 12.209 1.717 5.382 250 2HG2 VAL 27 2HG2 VAL 27 11.020 0.613 6.115 251 3HG2 VAL 27 3HG2 VAL 27 11.110 0.776 4.345 252 H LYS 28 H LYS 28 11.818 1.504 2.953 253 HA LYS 28 HA LYS 28 14.079 3.228 3.102 254 1HB LYS 28 1HB LYS 28 13.432 0.713 1.538 255 2HB LYS 28 2HB LYS 28 15.003 1.538 1.395 256 1HG LYS 28 1HG LYS 28 13.770 0.628 4.029 257 2HG LYS 28 2HG LYS 28 14.991 -0.294 3.120 258 1HD LYS 28 1HD LYS 28 16.250 2.087 3.191 259 2HD LYS 28 2HD LYS 28 15.276 2.254 4.672 260 1HE LYS 28 1HE LYS 28 16.471 0.671 5.780 261 2HE LYS 28 2HE LYS 28 16.557 -0.392 4.359 262 1HZ LYS 28 1HZ LYS 28 18.676 0.232 4.469 263 2HZ LYS 28 2HZ LYS 28 18.146 1.531 3.602 264 3HZ LYS 28 3HZ LYS 28 18.372 1.663 5.231 265 H VAL 29 H VAL 29 11.633 2.610 0.583 266 HA VAL 29 HA VAL 29 12.793 3.757 -1.640 267 HB VAL 29 HB VAL 29 9.939 4.029 -0.619 268 1HG1 VAL 29 1HG1 VAL 29 9.934 4.065 -3.407 269 2HG1 VAL 29 2HG1 VAL 29 9.703 5.475 -2.348 270 3HG1 VAL 29 3HG1 VAL 29 11.321 5.098 -2.985 271 1HG2 VAL 29 1HG2 VAL 29 11.100 2.149 -2.709 272 2HG2 VAL 29 2HG2 VAL 29 10.951 1.708 -0.990 273 3HG2 VAL 29 3HG2 VAL 29 9.494 2.078 -1.944 274 H GLN 30 H GLN 30 12.122 5.261 1.388 275 HA GLN 30 HA GLN 30 12.172 7.970 0.194 276 1HB GLN 30 1HB GLN 30 11.108 8.671 2.086 277 2HB GLN 30 2HB GLN 30 10.671 6.950 2.218 278 1HG GLN 30 1HG GLN 30 12.798 6.611 3.555 279 2HG GLN 30 2HG GLN 30 12.995 8.377 3.567 280 1HE2 GLN 30 1HE2 GLN 30 12.856 8.253 5.921 281 2HE2 GLN 30 2HE2 GLN 30 11.290 8.127 6.692 282 H ARG 31 H ARG 31 13.971 5.808 2.410 283 HA ARG 31 HA ARG 31 15.980 6.262 3.536 284 1HB ARG 31 1HB ARG 31 16.621 5.013 1.581 285 2HB ARG 31 2HB ARG 31 16.534 6.464 0.554 286 1HG ARG 31 1HG ARG 31 18.529 7.315 1.347 287 2HG ARG 31 2HG ARG 31 18.333 6.569 2.952 288 1HD ARG 31 1HD ARG 31 18.783 4.339 1.949 289 2HD ARG 31 2HD ARG 31 19.026 5.112 0.368 290 HE ARG 31 HE ARG 31 20.710 6.180 2.505 291 1HH1 ARG 31 2HH2 ARG 31 20.335 3.759 -0.045 292 2HH1 ARG 31 1HH2 ARG 31 22.054 3.490 -0.231 293 1HH2 ARG 31 2HH1 ARG 31 22.980 5.824 2.259 294 2HH2 ARG 31 1HH1 ARG 31 23.562 4.668 1.083 295 H GLY 32 H GLY 32 15.297 8.306 4.548 296 1HA GLY 32 1HA GLY 32 16.483 10.694 3.216 297 2HA GLY 32 2HA GLY 32 15.182 10.730 4.428 Start of MODEL 22 1 HA PRO 1 HA PRO 1 -21.884 7.571 1.841 2 1HB PRO 1 1HB PRO 1 -19.918 7.853 -0.023 3 2HB PRO 1 2HB PRO 1 -21.543 7.228 -0.451 4 1HG PRO 1 1HG PRO 1 -20.548 10.081 -0.699 5 2HG PRO 1 2HG PRO 1 -21.327 9.086 -1.972 6 1HD PRO 1 1HD PRO 1 -22.764 10.841 -0.461 7 2HD PRO 1 2HD PRO 1 -23.446 9.242 -0.890 8 HA PRO 2 HA PRO 2 -18.791 9.582 4.245 9 1HB PRO 2 1HB PRO 2 -16.627 7.930 4.136 10 2HB PRO 2 2HB PRO 2 -18.179 7.408 4.869 11 1HG PRO 2 1HG PRO 2 -17.219 6.899 2.038 12 2HG PRO 2 2HG PRO 2 -17.825 5.689 3.216 13 1HD PRO 2 1HD PRO 2 -19.463 6.783 1.333 14 2HD PRO 2 2HD PRO 2 -20.058 6.495 2.996 15 H LEU 3 H LEU 3 -18.728 9.612 0.956 16 HA LEU 3 HA LEU 3 -17.671 11.028 -0.515 17 1HB LEU 3 1HB LEU 3 -16.933 12.080 2.081 18 2HB LEU 3 2HB LEU 3 -15.559 12.208 0.957 19 HG LEU 3 HG LEU 3 -17.585 12.988 -0.684 20 1HD1 LEU 3 1HD1 LEU 3 -18.523 13.274 2.117 21 2HD1 LEU 3 2HD1 LEU 3 -18.675 14.744 1.125 22 3HD1 LEU 3 3HD1 LEU 3 -19.454 13.232 0.601 23 1HD2 LEU 3 1HD2 LEU 3 -15.925 14.545 -0.698 24 2HD2 LEU 3 2HD2 LEU 3 -16.914 15.377 0.526 25 3HD2 LEU 3 3HD2 LEU 3 -15.575 14.319 1.032 26 H SER 4 H SER 4 -16.458 8.393 1.026 27 HA SER 4 HA SER 4 -13.878 8.477 -0.459 28 1HB SER 4 1HB SER 4 -13.082 6.821 1.093 29 2HB SER 4 2HB SER 4 -13.857 8.107 2.050 30 HG SER 4 HG SER 4 -14.402 5.700 2.354 31 H GLN 5 H GLN 5 -13.795 5.467 -0.041 32 HA GLN 5 HA GLN 5 -14.663 3.536 -1.013 33 1HB GLN 5 1HB GLN 5 -16.803 3.502 -1.770 34 2HB GLN 5 2HB GLN 5 -16.872 5.163 -1.135 35 1HG GLN 5 1HG GLN 5 -17.591 5.498 -3.322 36 2HG GLN 5 2HG GLN 5 -15.845 5.782 -3.491 37 1HE2 GLN 5 1HE2 GLN 5 -17.958 2.853 -3.303 38 2HE2 GLN 5 2HE2 GLN 5 -17.318 2.092 -4.744 39 H GLU 6 H GLU 6 -13.955 6.503 -2.791 40 HA GLU 6 HA GLU 6 -13.583 5.630 -5.375 41 1HB GLU 6 1HB GLU 6 -12.171 7.606 -3.608 42 2HB GLU 6 2HB GLU 6 -11.471 7.237 -5.202 43 1HG GLU 6 1HG GLU 6 -13.351 8.028 -6.357 44 2HG GLU 6 2HG GLU 6 -14.419 7.837 -4.949 45 H THR 7 H THR 7 -10.924 5.682 -2.927 46 HA THR 7 HA THR 7 -9.492 3.665 -4.519 47 HB THR 7 HB THR 7 -8.273 4.379 -1.975 48 HG1 THR 7 1HG THR 7 -8.997 6.486 -3.738 49 1HG2 THR 7 1HG2 THR 7 -6.578 5.343 -3.690 50 2HG2 THR 7 2HG2 THR 7 -6.898 3.592 -3.739 51 3HG2 THR 7 3HG2 THR 7 -7.662 4.671 -4.931 52 H PHE 8 H PHE 8 -9.306 3.770 -1.001 53 HA PHE 8 HA PHE 8 -9.132 1.615 0.130 54 1HB PHE 8 1HB PHE 8 -12.080 2.229 0.161 55 2HB PHE 8 2HB PHE 8 -11.027 1.723 1.493 56 HD1 PHE 8 1HD PHE 8 -10.907 4.531 -1.011 57 HD2 PHE 8 2HD PHE 8 -10.887 3.357 3.121 58 HE1 PHE 8 1HE PHE 8 -10.618 6.901 -0.339 59 HE2 PHE 8 2HE PHE 8 -10.597 5.727 3.793 60 HZ PHE 8 HZ PHE 8 -10.463 7.499 2.063 61 H SER 9 H SER 9 -12.188 1.647 -1.801 62 HA SER 9 HA SER 9 -12.871 -0.943 -1.894 63 1HB SER 9 1HB SER 9 -13.843 0.957 -3.253 64 2HB SER 9 2HB SER 9 -12.542 0.689 -4.438 65 HG SER 9 HG SER 9 -13.685 -0.883 -5.182 66 H ASP 10 H ASP 10 -10.421 0.388 -4.195 67 HA ASP 10 HA ASP 10 -9.390 -2.377 -4.522 68 1HB ASP 10 1HB ASP 10 -9.945 -0.256 -6.322 69 2HB ASP 10 2HB ASP 10 -8.176 -0.414 -6.260 70 H LEU 11 H LEU 11 -8.716 0.731 -3.120 71 HA LEU 11 HA LEU 11 -5.857 0.576 -3.111 72 1HB LEU 11 1HB LEU 11 -7.589 2.535 -2.578 73 2HB LEU 11 2HB LEU 11 -7.371 1.946 -0.912 74 HG LEU 11 HG LEU 11 -5.225 2.929 -2.834 75 1HD1 LEU 11 1HD1 LEU 11 -4.863 4.195 -0.444 76 2HD1 LEU 11 2HD1 LEU 11 -5.876 4.841 -1.757 77 3HD1 LEU 11 3HD1 LEU 11 -6.625 3.950 -0.411 78 1HD2 LEU 11 1HD2 LEU 11 -4.803 1.790 -0.046 79 2HD2 LEU 11 2HD2 LEU 11 -4.614 0.815 -1.523 80 3HD2 LEU 11 3HD2 LEU 11 -3.567 2.229 -1.249 81 H TRP 12 H TRP 12 -8.113 0.222 -0.312 82 HA TRP 12 HA TRP 12 -6.291 -0.953 1.432 83 1HB TRP 12 1HB TRP 12 -8.086 -0.907 2.745 84 2HB TRP 12 2HB TRP 12 -9.043 -0.394 1.348 85 HD1 TRP 12 HD TRP 12 -11.073 -1.810 0.944 86 HE1 TRP 12 1HE TRP 12 -11.826 -4.200 1.399 87 HE3 TRP 12 3HE TRP 12 -6.785 -3.615 3.079 88 HZ2 TRP 12 2HZ TRP 12 -10.712 -6.611 2.550 89 HZ3 TRP 12 3HZ TRP 12 -6.669 -5.959 3.841 90 HH2 TRP 12 HH TRP 12 -8.618 -7.467 3.585 91 H LYS 13 H LYS 13 -8.246 -2.443 -1.152 92 HA LYS 13 HA LYS 13 -7.570 -5.150 -0.428 93 1HB LYS 13 1HB LYS 13 -9.382 -3.906 -2.126 94 2HB LYS 13 2HB LYS 13 -8.224 -4.658 -3.250 95 1HG LYS 13 1HG LYS 13 -8.456 -6.767 -1.745 96 2HG LYS 13 2HG LYS 13 -9.917 -5.975 -1.107 97 1HD LYS 13 1HD LYS 13 -11.095 -6.383 -3.004 98 2HD LYS 13 2HD LYS 13 -9.738 -5.902 -4.050 99 1HE LYS 13 1HE LYS 13 -8.658 -8.084 -3.673 100 2HE LYS 13 2HE LYS 13 -9.983 -8.565 -2.592 101 1HZ LYS 13 1HZ LYS 13 -10.267 -9.430 -4.793 102 2HZ LYS 13 2HZ LYS 13 -11.477 -8.367 -4.438 103 3HZ LYS 13 3HZ LYS 13 -10.250 -7.915 -5.442 104 H LEU 14 H LEU 14 -6.099 -2.608 -2.391 105 HA LEU 14 HA LEU 14 -4.317 -4.302 -3.860 106 1HB LEU 14 1HB LEU 14 -4.780 -1.428 -3.423 107 2HB LEU 14 2HB LEU 14 -3.063 -1.841 -3.647 108 HG LEU 14 HG LEU 14 -4.791 -1.438 -5.715 109 1HD1 LEU 14 1HD1 LEU 14 -2.899 -3.624 -6.290 110 2HD1 LEU 14 2HD1 LEU 14 -2.942 -1.960 -6.921 111 3HD1 LEU 14 3HD1 LEU 14 -2.173 -2.296 -5.352 112 1HD2 LEU 14 1HD2 LEU 14 -5.973 -3.284 -6.325 113 2HD2 LEU 14 2HD2 LEU 14 -4.647 -4.388 -5.886 114 3HD2 LEU 14 3HD2 LEU 14 -5.758 -3.787 -4.631 115 H LEU 15 H LEU 15 -4.007 -2.418 -0.813 116 HA LEU 15 HA LEU 15 -1.286 -3.009 -0.326 117 1HB LEU 15 1HB LEU 15 -3.645 -2.328 1.449 118 2HB LEU 15 2HB LEU 15 -2.019 -2.612 2.116 119 HG LEU 15 HG LEU 15 -2.832 -0.517 0.061 120 1HD1 LEU 15 1HD1 LEU 15 -2.098 1.060 1.765 121 2HD1 LEU 15 2HD1 LEU 15 -3.272 -0.060 2.499 122 3HD1 LEU 15 3HD1 LEU 15 -1.531 -0.269 2.805 123 1HD2 LEU 15 1HD2 LEU 15 -0.300 0.106 0.459 124 2HD2 LEU 15 2HD2 LEU 15 -0.147 -1.611 0.904 125 3HD2 LEU 15 3HD2 LEU 15 -0.721 -1.160 -0.719 126 H LYS 16 H LYS 16 -4.079 -5.030 -0.299 127 HA LYS 16 HA LYS 16 -3.226 -6.907 1.700 128 1HB LYS 16 1HB LYS 16 -5.534 -6.468 0.327 129 2HB LYS 16 2HB LYS 16 -4.885 -7.855 -0.579 130 1HG LYS 16 1HG LYS 16 -4.681 -8.061 2.381 131 2HG LYS 16 2HG LYS 16 -6.336 -8.086 1.729 132 1HD LYS 16 1HD LYS 16 -5.185 -9.771 -0.028 133 2HD LYS 16 2HD LYS 16 -4.099 -10.045 1.356 134 1HE LYS 16 1HE LYS 16 -6.429 -10.149 2.674 135 2HE LYS 16 2HE LYS 16 -7.029 -10.626 1.071 136 1HZ LYS 16 1HZ LYS 16 -6.403 -12.607 1.837 137 2HZ LYS 16 2HZ LYS 16 -4.932 -12.155 1.245 138 3HZ LYS 16 3HZ LYS 16 -5.250 -12.018 2.857 139 H LYS 17 H LYS 17 -1.447 -5.994 -0.757 140 HA LYS 17 HA LYS 17 -0.038 -8.500 -0.949 141 1HB LYS 17 1HB LYS 17 -1.292 -9.336 -2.651 142 2HB LYS 17 2HB LYS 17 -1.993 -7.749 -3.049 143 1HG LYS 17 1HG LYS 17 0.871 -8.564 -3.695 144 2HG LYS 17 2HG LYS 17 -0.482 -8.674 -4.846 145 1HD LYS 17 1HD LYS 17 -0.651 -6.075 -3.772 146 2HD LYS 17 2HD LYS 17 1.086 -6.344 -4.052 147 1HE LYS 17 1HE LYS 17 0.283 -7.319 -6.358 148 2HE LYS 17 2HE LYS 17 -1.199 -6.396 -6.027 149 1HZ LYS 17 1HZ LYS 17 1.343 -5.478 -6.838 150 2HZ LYS 17 2HZ LYS 17 -0.112 -4.702 -6.854 151 3HZ LYS 17 3HZ LYS 17 0.816 -4.685 -5.491 152 H TRP 18 H TRP 18 -0.644 -5.177 -2.036 153 HA TRP 18 HA TRP 18 1.978 -4.843 -3.215 154 1HB TRP 18 1HB TRP 18 -0.403 -3.521 -3.355 155 2HB TRP 18 2HB TRP 18 0.486 -2.480 -2.235 156 HD1 TRP 18 HD TRP 18 -0.143 -2.899 -5.773 157 HE1 TRP 18 1HE TRP 18 1.542 -1.664 -7.229 158 HE3 TRP 18 3HE TRP 18 3.439 -1.956 -2.240 159 HZ2 TRP 18 2HZ TRP 18 4.134 -0.416 -6.911 160 HZ3 TRP 18 3HZ TRP 18 5.499 -0.744 -2.854 161 HH2 TRP 18 HH TRP 18 5.861 0.031 -5.179 162 H LYS 19 H LYS 19 0.423 -3.948 -0.101 163 HA LYS 19 HA LYS 19 2.389 -2.447 1.086 164 1HB LYS 19 1HB LYS 19 1.316 -2.916 3.061 165 2HB LYS 19 2HB LYS 19 0.093 -3.561 1.940 166 1HG LYS 19 1HG LYS 19 1.105 -5.816 2.142 167 2HG LYS 19 2HG LYS 19 2.314 -5.168 3.276 168 1HD LYS 19 1HD LYS 19 0.531 -4.522 4.842 169 2HD LYS 19 2HD LYS 19 -0.705 -5.093 3.696 170 1HE LYS 19 1HE LYS 19 0.055 -7.371 3.890 171 2HE LYS 19 2HE LYS 19 1.497 -6.874 4.802 172 1HZ LYS 19 1HZ LYS 19 -0.795 -7.682 5.880 173 2HZ LYS 19 2HZ LYS 19 0.340 -6.771 6.656 174 3HZ LYS 19 3HZ LYS 19 -0.967 -6.044 5.961 175 H MET 20 H MET 20 2.299 -6.030 0.809 176 HA MET 20 HA MET 20 4.346 -6.909 2.297 177 1HB MET 20 1HB MET 20 3.463 -8.530 0.894 178 2HB MET 20 2HB MET 20 3.570 -7.493 -0.548 179 1HG MET 20 1HG MET 20 6.215 -7.756 0.347 180 2HG MET 20 2HG MET 20 5.517 -9.371 0.552 181 1HE MET 20 1HE MET 20 6.116 -6.650 -2.828 182 2HE MET 20 2HE MET 20 4.461 -7.209 -3.169 183 3HE MET 20 3HE MET 20 4.848 -6.486 -1.590 184 H ARG 21 H ARG 21 4.696 -4.868 -0.607 185 HA ARG 21 HA ARG 21 7.626 -4.761 -0.112 186 1HB ARG 21 1HB ARG 21 5.910 -4.739 -2.489 187 2HB ARG 21 2HB ARG 21 7.071 -3.390 -2.475 188 1HG ARG 21 1HG ARG 21 7.828 -5.684 -3.479 189 2HG ARG 21 2HG ARG 21 8.934 -4.830 -2.376 190 1HD ARG 21 1HD ARG 21 8.762 -6.433 -0.782 191 2HD ARG 21 2HD ARG 21 7.002 -6.572 -0.988 192 HE ARG 21 HE ARG 21 7.952 -7.787 -3.239 193 1HH1 ARG 21 2HH2 ARG 21 8.695 -8.105 0.203 194 2HH1 ARG 21 1HH2 ARG 21 9.119 -9.799 0.095 195 1HH2 ARG 21 2HH1 ARG 21 8.512 -10.025 -3.381 196 2HH2 ARG 21 1HH1 ARG 21 9.014 -10.893 -1.949 197 H ARG 22 H ARG 22 4.664 -2.799 -0.509 198 HA ARG 22 HA ARG 22 6.085 -0.295 -0.099 199 1HB ARG 22 1HB ARG 22 4.014 -0.502 -1.475 200 2HB ARG 22 2HB ARG 22 3.108 -0.924 -0.003 201 1HG ARG 22 1HG ARG 22 4.579 1.411 0.638 202 2HG ARG 22 2HG ARG 22 3.895 1.697 -0.981 203 1HD ARG 22 1HD ARG 22 2.383 2.371 0.933 204 2HD ARG 22 2HD ARG 22 1.664 1.212 -0.206 205 HE ARG 22 HE ARG 22 2.827 -0.351 1.777 206 1HH1 ARG 22 2HH2 ARG 22 0.423 2.236 1.608 207 2HH1 ARG 22 1HH2 ARG 22 -0.484 1.669 2.993 208 1HH2 ARG 22 2HH1 ARG 22 1.628 -1.099 3.606 209 2HH2 ARG 22 1HH1 ARG 22 0.203 -0.232 4.131 210 H ASN 23 H ASN 23 6.205 -2.557 1.950 211 HA ASN 23 HA ASN 23 5.657 -0.820 4.271 212 1HB ASN 23 1HB ASN 23 3.858 -2.817 3.534 213 2HB ASN 23 2HB ASN 23 4.867 -3.596 4.772 214 1HD2 ASN 23 1HD2 ASN 23 2.273 -3.259 5.437 215 2HD2 ASN 23 2HD2 ASN 23 2.073 -1.946 6.577 216 H GLN 24 H GLN 24 7.931 -2.159 2.607 217 HA GLN 24 HA GLN 24 9.435 -3.039 4.998 218 1HB GLN 24 1HB GLN 24 9.055 -4.611 2.430 219 2HB GLN 24 2HB GLN 24 10.415 -4.898 3.541 220 1HG GLN 24 1HG GLN 24 8.338 -4.872 5.306 221 2HG GLN 24 2HG GLN 24 7.519 -5.510 3.864 222 1HE2 GLN 24 1HE2 GLN 24 7.323 -7.467 5.302 223 2HE2 GLN 24 2HE2 GLN 24 8.646 -8.613 5.301 224 H PHE 25 H PHE 25 10.738 -3.705 1.862 225 HA PHE 25 HA PHE 25 12.922 -1.922 2.227 226 1HB PHE 25 1HB PHE 25 13.614 -3.463 0.750 227 2HB PHE 25 2HB PHE 25 11.958 -3.853 0.254 228 HD1 PHE 25 1HD PHE 25 10.864 -1.617 -1.043 229 HD2 PHE 25 2HD PHE 25 14.967 -2.890 -1.028 230 HE1 PHE 25 1HE PHE 25 11.234 -0.451 -3.200 231 HE2 PHE 25 2HE PHE 25 15.337 -1.724 -3.186 232 HZ PHE 25 HZ PHE 25 13.470 -0.504 -4.271 233 H TRP 26 H TRP 26 9.728 -1.208 1.570 234 HA TRP 26 HA TRP 26 10.225 0.937 -0.359 235 1HB TRP 26 1HB TRP 26 7.941 -0.465 0.827 236 2HB TRP 26 2HB TRP 26 7.691 1.282 0.718 237 HD1 TRP 26 HD TRP 26 7.964 -1.848 -1.380 238 HE1 TRP 26 1HE TRP 26 7.312 -1.365 -3.794 239 HE3 TRP 26 3HE TRP 26 7.695 3.257 -1.137 240 HZ2 TRP 26 2HZ TRP 26 6.742 0.952 -5.432 241 HZ3 TRP 26 3HZ TRP 26 7.096 4.566 -3.141 242 HH2 TRP 26 HH TRP 26 6.618 3.432 -5.291 243 H VAL 27 H VAL 27 8.572 0.968 2.843 244 HA VAL 27 HA VAL 27 8.522 3.494 3.572 245 HB VAL 27 HB VAL 27 9.049 2.884 5.859 246 1HG1 VAL 27 1HG1 VAL 27 7.053 1.826 4.545 247 2HG1 VAL 27 2HG1 VAL 27 8.007 0.325 4.619 248 3HG1 VAL 27 3HG1 VAL 27 7.495 1.129 6.122 249 1HG2 VAL 27 1HG2 VAL 27 9.943 0.299 5.915 250 2HG2 VAL 27 2HG2 VAL 27 10.783 0.907 4.468 251 3HG2 VAL 27 3HG2 VAL 27 11.009 1.720 6.035 252 H LYS 28 H LYS 28 11.571 1.687 3.161 253 HA LYS 28 HA LYS 28 13.261 3.811 4.105 254 1HB LYS 28 1HB LYS 28 13.690 1.319 2.433 255 2HB LYS 28 2HB LYS 28 15.012 2.454 2.795 256 1HG LYS 28 1HG LYS 28 13.239 1.344 4.990 257 2HG LYS 28 2HG LYS 28 14.665 0.451 4.411 258 1HD LYS 28 1HD LYS 28 15.152 3.324 4.952 259 2HD LYS 28 2HD LYS 28 14.718 2.366 6.389 260 1HE LYS 28 1HE LYS 28 16.621 0.994 4.610 261 2HE LYS 28 2HE LYS 28 17.249 2.529 5.249 262 1HZ LYS 28 1HZ LYS 28 17.075 1.780 7.374 263 2HZ LYS 28 2HZ LYS 28 15.960 0.617 7.024 264 3HZ LYS 28 3HZ LYS 28 17.536 0.406 6.588 265 H VAL 29 H VAL 29 12.062 2.778 0.890 266 HA VAL 29 HA VAL 29 13.587 4.436 -0.745 267 HB VAL 29 HB VAL 29 11.723 4.283 -2.329 268 1HG1 VAL 29 1HG1 VAL 29 11.228 1.695 -1.844 269 2HG1 VAL 29 2HG1 VAL 29 12.833 2.251 -2.376 270 3HG1 VAL 29 3HG1 VAL 29 12.530 1.925 -0.653 271 1HG2 VAL 29 1HG2 VAL 29 9.594 4.320 -1.593 272 2HG2 VAL 29 2HG2 VAL 29 9.847 2.765 -0.764 273 3HG2 VAL 29 3HG2 VAL 29 10.180 4.292 0.087 274 H GLN 30 H GLN 30 11.499 5.354 1.782 275 HA GLN 30 HA GLN 30 10.813 7.953 0.579 276 1HB GLN 30 1HB GLN 30 10.280 7.251 3.449 277 2HB GLN 30 2HB GLN 30 9.276 8.159 2.294 278 1HG GLN 30 1HG GLN 30 9.734 5.422 1.386 279 2HG GLN 30 2HG GLN 30 9.003 5.449 3.005 280 1HE2 GLN 30 1HE2 GLN 30 8.702 7.209 -0.140 281 2HE2 GLN 30 2HE2 GLN 30 6.951 7.219 -0.159 282 H ARG 31 H ARG 31 12.627 6.647 3.408 283 HA ARG 31 HA ARG 31 14.044 7.801 4.855 284 1HB ARG 31 1HB ARG 31 15.529 6.863 3.189 285 2HB ARG 31 2HB ARG 31 15.210 8.216 2.077 286 1HG ARG 31 1HG ARG 31 16.065 9.180 4.697 287 2HG ARG 31 2HG ARG 31 17.264 8.065 3.997 288 1HD ARG 31 1HD ARG 31 16.537 9.595 1.813 289 2HD ARG 31 2HD ARG 31 16.468 10.778 3.137 290 HE ARG 31 HE ARG 31 18.865 9.419 3.508 291 1HH1 ARG 31 2HH2 ARG 31 17.335 11.298 0.933 292 2HH1 ARG 31 1HH2 ARG 31 18.847 11.890 0.280 293 1HH2 ARG 31 2HH1 ARG 31 20.861 10.200 2.645 294 2HH2 ARG 31 1HH1 ARG 31 20.857 11.264 1.256 295 H GLY 32 H GLY 32 12.688 9.475 5.668 296 1HA GLY 32 1HA GLY 32 13.665 12.097 5.304 297 2HA GLY 32 2HA GLY 32 12.196 11.923 4.316 Start of MODEL 23 1 HA PRO 1 HA PRO 1 -18.892 0.131 2.584 2 1HB PRO 1 1HB PRO 1 -19.625 2.623 1.759 3 2HB PRO 1 2HB PRO 1 -20.671 1.191 1.486 4 1HG PRO 1 1HG PRO 1 -20.845 3.188 3.761 5 2HG PRO 1 2HG PRO 1 -22.169 2.663 2.671 6 1HD PRO 1 1HD PRO 1 -21.800 1.513 5.115 7 2HD PRO 1 2HD PRO 1 -22.254 0.514 3.701 8 HA PRO 2 HA PRO 2 -15.662 2.383 4.557 9 1HB PRO 2 1HB PRO 2 -14.100 3.108 2.446 10 2HB PRO 2 2HB PRO 2 -14.343 1.388 2.896 11 1HG PRO 2 1HG PRO 2 -15.851 2.968 0.794 12 2HG PRO 2 2HG PRO 2 -15.037 1.384 0.588 13 1HD PRO 2 1HD PRO 2 -17.707 1.553 1.108 14 2HD PRO 2 2HD PRO 2 -16.711 0.281 1.879 15 H LEU 3 H LEU 3 -18.176 3.790 2.969 16 HA LEU 3 HA LEU 3 -18.993 5.943 3.139 17 1HB LEU 3 1HB LEU 3 -16.869 5.973 4.967 18 2HB LEU 3 2HB LEU 3 -16.548 7.354 3.890 19 HG LEU 3 HG LEU 3 -19.357 7.323 4.413 20 1HD1 LEU 3 1HD1 LEU 3 -18.961 7.790 7.003 21 2HD1 LEU 3 2HD1 LEU 3 -19.263 6.138 6.413 22 3HD1 LEU 3 3HD1 LEU 3 -17.601 6.666 6.769 23 1HD2 LEU 3 1HD2 LEU 3 -17.086 9.085 5.431 24 2HD2 LEU 3 2HD2 LEU 3 -17.998 9.308 3.919 25 3HD2 LEU 3 3HD2 LEU 3 -18.814 9.510 5.488 26 H SER 4 H SER 4 -16.776 4.675 1.128 27 HA SER 4 HA SER 4 -17.000 6.961 -0.718 28 1HB SER 4 1HB SER 4 -14.782 7.021 0.649 29 2HB SER 4 2HB SER 4 -14.316 5.622 -0.347 30 HG SER 4 HG SER 4 -15.237 8.112 -1.354 31 H GLN 5 H GLN 5 -14.908 5.579 -2.418 32 HA GLN 5 HA GLN 5 -15.511 2.928 -2.987 33 1HB GLN 5 1HB GLN 5 -17.113 3.282 -4.953 34 2HB GLN 5 2HB GLN 5 -17.818 3.420 -3.325 35 1HG GLN 5 1HG GLN 5 -17.293 5.950 -3.527 36 2HG GLN 5 2HG GLN 5 -17.080 5.632 -5.262 37 1HE2 GLN 5 1HE2 GLN 5 -19.002 7.371 -4.842 38 2HE2 GLN 5 2HE2 GLN 5 -20.599 6.661 -4.933 39 H GLU 6 H GLU 6 -15.181 6.167 -4.505 40 HA GLU 6 HA GLU 6 -14.072 5.728 -6.903 41 1HB GLU 6 1HB GLU 6 -13.896 7.758 -4.938 42 2HB GLU 6 2HB GLU 6 -12.227 7.434 -5.464 43 1HG GLU 6 1HG GLU 6 -13.087 7.547 -7.860 44 2HG GLU 6 2HG GLU 6 -14.619 8.156 -7.197 45 H THR 7 H THR 7 -11.760 6.001 -4.160 46 HA THR 7 HA THR 7 -9.914 4.234 -5.591 47 HB THR 7 HB THR 7 -9.213 5.028 -2.849 48 HG1 THR 7 1HG THR 7 -9.774 7.029 -2.986 49 1HG2 THR 7 1HG2 THR 7 -8.002 5.728 -5.555 50 2HG2 THR 7 2HG2 THR 7 -7.191 5.768 -3.971 51 3HG2 THR 7 3HG2 THR 7 -7.678 4.211 -4.681 52 H PHE 8 H PHE 8 -10.228 4.182 -2.074 53 HA PHE 8 HA PHE 8 -9.884 1.994 -1.022 54 1HB PHE 8 1HB PHE 8 -12.869 2.242 -1.322 55 2HB PHE 8 2HB PHE 8 -11.919 1.802 0.107 56 HD1 PHE 8 1HD PHE 8 -11.894 4.728 -2.260 57 HD2 PHE 8 2HD PHE 8 -12.161 3.354 1.801 58 HE1 PHE 8 1HE PHE 8 -11.992 7.078 -1.472 59 HE2 PHE 8 2HE PHE 8 -12.258 5.704 2.589 60 HZ PHE 8 HZ PHE 8 -12.174 7.565 0.953 61 H SER 9 H SER 9 -12.666 1.774 -3.320 62 HA SER 9 HA SER 9 -13.007 -0.873 -3.597 63 1HB SER 9 1HB SER 9 -14.040 0.979 -4.986 64 2HB SER 9 2HB SER 9 -12.591 0.918 -6.018 65 HG SER 9 HG SER 9 -13.170 -0.997 -6.750 66 H ASP 10 H ASP 10 -10.511 0.861 -5.555 67 HA ASP 10 HA ASP 10 -9.140 -1.728 -5.954 68 1HB ASP 10 1HB ASP 10 -9.051 0.991 -7.260 69 2HB ASP 10 2HB ASP 10 -7.708 -0.154 -7.474 70 H LEU 11 H LEU 11 -8.879 1.350 -4.265 71 HA LEU 11 HA LEU 11 -6.075 1.254 -3.731 72 1HB LEU 11 1HB LEU 11 -8.043 3.092 -3.378 73 2HB LEU 11 2HB LEU 11 -7.897 2.471 -1.716 74 HG LEU 11 HG LEU 11 -5.393 2.808 -1.906 75 1HD1 LEU 11 1HD1 LEU 11 -6.093 3.237 -4.629 76 2HD1 LEU 11 2HD1 LEU 11 -5.536 4.805 -3.998 77 3HD1 LEU 11 3HD1 LEU 11 -4.481 3.376 -3.887 78 1HD2 LEU 11 1HD2 LEU 11 -5.922 4.684 -0.776 79 2HD2 LEU 11 2HD2 LEU 11 -6.103 5.536 -2.328 80 3HD2 LEU 11 3HD2 LEU 11 -7.511 4.747 -1.576 81 H TRP 12 H TRP 12 -8.792 0.682 -1.420 82 HA TRP 12 HA TRP 12 -7.299 -0.508 0.593 83 1HB TRP 12 1HB TRP 12 -9.323 -0.627 1.506 84 2HB TRP 12 2HB TRP 12 -10.009 -0.104 -0.038 85 HD1 TRP 12 HD TRP 12 -11.820 -1.614 -0.890 86 HE1 TRP 12 1HE TRP 12 -12.479 -4.066 -0.693 87 HE3 TRP 12 3HE TRP 12 -7.920 -3.270 1.982 88 HZ2 TRP 12 2HZ TRP 12 -11.448 -6.464 0.557 89 HZ3 TRP 12 3HZ TRP 12 -7.793 -5.641 2.655 90 HH2 TRP 12 HH TRP 12 -9.544 -7.247 1.953 91 H LYS 13 H LYS 13 -8.619 -1.967 -2.387 92 HA LYS 13 HA LYS 13 -7.897 -4.661 -1.661 93 1HB LYS 13 1HB LYS 13 -9.608 -3.713 -3.436 94 2HB LYS 13 2HB LYS 13 -8.187 -3.726 -4.508 95 1HG LYS 13 1HG LYS 13 -7.919 -6.179 -3.387 96 2HG LYS 13 2HG LYS 13 -9.688 -6.006 -3.291 97 1HD LYS 13 1HD LYS 13 -9.305 -5.120 -5.817 98 2HD LYS 13 2HD LYS 13 -7.911 -6.218 -5.688 99 1HE LYS 13 1HE LYS 13 -9.292 -8.093 -5.217 100 2HE LYS 13 2HE LYS 13 -10.696 -7.069 -4.845 101 1HZ LYS 13 1HZ LYS 13 -11.060 -7.902 -6.947 102 2HZ LYS 13 2HZ LYS 13 -10.529 -6.365 -7.224 103 3HZ LYS 13 3HZ LYS 13 -9.512 -7.643 -7.455 104 H LEU 14 H LEU 14 -6.293 -1.941 -3.264 105 HA LEU 14 HA LEU 14 -4.159 -3.413 -4.447 106 1HB LEU 14 1HB LEU 14 -4.896 -0.622 -3.942 107 2HB LEU 14 2HB LEU 14 -3.144 -0.899 -3.791 108 HG LEU 14 HG LEU 14 -4.339 -0.431 -6.169 109 1HD1 LEU 14 1HD1 LEU 14 -1.857 -1.350 -5.246 110 2HD1 LEU 14 2HD1 LEU 14 -2.324 -2.535 -6.489 111 3HD1 LEU 14 3HD1 LEU 14 -2.231 -0.806 -6.899 112 1HD2 LEU 14 1HD2 LEU 14 -5.433 -2.891 -5.472 113 2HD2 LEU 14 2HD2 LEU 14 -5.340 -2.229 -7.122 114 3HD2 LEU 14 3HD2 LEU 14 -4.080 -3.342 -6.537 115 H LEU 15 H LEU 15 -4.470 -1.708 -1.290 116 HA LEU 15 HA LEU 15 -1.861 -2.255 -0.359 117 1HB LEU 15 1HB LEU 15 -4.512 -1.583 0.880 118 2HB LEU 15 2HB LEU 15 -3.197 -2.143 1.941 119 HG LEU 15 HG LEU 15 -2.856 0.084 -0.105 120 1HD1 LEU 15 1HD1 LEU 15 -3.813 0.108 2.760 121 2HD1 LEU 15 2HD1 LEU 15 -2.851 1.469 2.137 122 3HD1 LEU 15 3HD1 LEU 15 -4.401 1.049 1.369 123 1HD2 LEU 15 1HD2 LEU 15 -1.254 -0.698 2.368 124 2HD2 LEU 15 2HD2 LEU 15 -0.821 -1.143 0.700 125 3HD2 LEU 15 3HD2 LEU 15 -0.839 0.568 1.188 126 H LYS 16 H LYS 16 -4.544 -4.351 -0.922 127 HA LYS 16 HA LYS 16 -4.070 -6.311 1.087 128 1HB LYS 16 1HB LYS 16 -6.030 -5.947 -0.662 129 2HB LYS 16 2HB LYS 16 -5.051 -7.052 -1.656 130 1HG LYS 16 1HG LYS 16 -5.063 -8.729 0.121 131 2HG LYS 16 2HG LYS 16 -5.918 -7.613 1.212 132 1HD LYS 16 1HD LYS 16 -7.931 -8.031 0.242 133 2HD LYS 16 2HD LYS 16 -7.249 -7.975 -1.401 134 1HE LYS 16 1HE LYS 16 -6.596 -10.305 0.395 135 2HE LYS 16 2HE LYS 16 -8.177 -10.250 -0.414 136 1HZ LYS 16 1HZ LYS 16 -5.525 -10.461 -1.575 137 2HZ LYS 16 2HZ LYS 16 -6.898 -11.304 -1.927 138 3HZ LYS 16 3HZ LYS 16 -6.727 -9.750 -2.453 139 H LYS 17 H LYS 17 -1.779 -5.177 -0.792 140 HA LYS 17 HA LYS 17 -0.206 -7.587 -0.696 141 1HB LYS 17 1HB LYS 17 -0.031 -8.144 -2.953 142 2HB LYS 17 2HB LYS 17 -1.760 -7.748 -2.812 143 1HG LYS 17 1HG LYS 17 -0.874 -6.618 -4.775 144 2HG LYS 17 2HG LYS 17 -1.209 -5.393 -3.527 145 1HD LYS 17 1HD LYS 17 0.981 -4.832 -3.346 146 2HD LYS 17 2HD LYS 17 1.497 -6.535 -3.319 147 1HE LYS 17 1HE LYS 17 1.470 -6.686 -5.701 148 2HE LYS 17 2HE LYS 17 0.573 -5.161 -5.862 149 1HZ LYS 17 1HZ LYS 17 2.752 -4.656 -6.341 150 2HZ LYS 17 2HZ LYS 17 2.571 -4.138 -4.786 151 3HZ LYS 17 3HZ LYS 17 3.366 -5.549 -5.098 152 H TRP 18 H TRP 18 -0.761 -4.223 -1.322 153 HA TRP 18 HA TRP 18 2.070 -3.698 -1.933 154 1HB TRP 18 1HB TRP 18 -0.339 -2.490 -2.598 155 2HB TRP 18 2HB TRP 18 0.323 -1.416 -1.358 156 HD1 TRP 18 HD TRP 18 0.253 -1.721 -4.908 157 HE1 TRP 18 1HE TRP 18 2.197 -0.559 -6.072 158 HE3 TRP 18 3HE TRP 18 3.359 -1.121 -0.885 159 HZ2 TRP 18 2HZ TRP 18 4.791 0.505 -5.355 160 HZ3 TRP 18 3HZ TRP 18 5.555 -0.031 -1.164 161 HH2 TRP 18 HH TRP 18 6.285 0.786 -3.386 162 H LYS 19 H LYS 19 -0.354 -3.045 0.638 163 HA LYS 19 HA LYS 19 0.977 -1.466 2.389 164 1HB LYS 19 1HB LYS 19 -1.233 -2.970 2.568 165 2HB LYS 19 2HB LYS 19 -0.149 -3.989 3.545 166 1HG LYS 19 1HG LYS 19 0.488 -1.573 4.578 167 2HG LYS 19 2HG LYS 19 -1.186 -1.233 4.078 168 1HD LYS 19 1HD LYS 19 -2.024 -2.479 5.767 169 2HD LYS 19 2HD LYS 19 -0.965 -3.850 5.360 170 1HE LYS 19 1HE LYS 19 0.582 -1.673 6.504 171 2HE LYS 19 2HE LYS 19 -0.753 -2.119 7.588 172 1HZ LYS 19 1HZ LYS 19 1.360 -3.851 6.536 173 2HZ LYS 19 2HZ LYS 19 1.040 -3.476 8.110 174 3HZ LYS 19 3HZ LYS 19 0.003 -4.440 7.265 175 H MET 20 H MET 20 1.441 -5.044 2.217 176 HA MET 20 HA MET 20 3.289 -5.548 4.093 177 1HB MET 20 1HB MET 20 4.517 -6.872 2.115 178 2HB MET 20 2HB MET 20 2.926 -7.373 2.737 179 1HG MET 20 1HG MET 20 1.915 -6.892 0.793 180 2HG MET 20 2HG MET 20 2.664 -5.289 0.724 181 1HE MET 20 1HE MET 20 3.739 -4.515 -0.737 182 2HE MET 20 2HE MET 20 5.261 -5.131 -1.425 183 3HE MET 20 3HE MET 20 3.737 -5.320 -2.325 184 H ARG 21 H ARG 21 4.052 -3.941 0.964 185 HA ARG 21 HA ARG 21 6.750 -3.307 1.992 186 1HB ARG 21 1HB ARG 21 5.412 -3.435 -0.681 187 2HB ARG 21 2HB ARG 21 6.735 -2.261 -0.481 188 1HG ARG 21 1HG ARG 21 7.284 -4.731 -1.225 189 2HG ARG 21 2HG ARG 21 8.318 -3.924 -0.022 190 1HD ARG 21 1HD ARG 21 6.943 -4.966 1.792 191 2HD ARG 21 2HD ARG 21 6.022 -5.842 0.550 192 HE ARG 21 HE ARG 21 8.738 -6.415 1.479 193 1HH1 ARG 21 2HH2 ARG 21 6.316 -6.825 -1.065 194 2HH1 ARG 21 1HH2 ARG 21 7.035 -8.286 -1.703 195 1HH2 ARG 21 2HH1 ARG 21 9.688 -8.346 0.635 196 2HH2 ARG 21 1HH1 ARG 21 8.957 -9.153 -0.734 197 H ARG 22 H ARG 22 3.680 -1.797 0.989 198 HA ARG 22 HA ARG 22 4.650 0.905 1.190 199 1HB ARG 22 1HB ARG 22 2.211 -0.486 0.494 200 2HB ARG 22 2HB ARG 22 1.850 0.837 1.629 201 1HG ARG 22 1HG ARG 22 3.678 1.251 -0.756 202 2HG ARG 22 2HG ARG 22 1.911 1.410 -0.901 203 1HD ARG 22 1HD ARG 22 2.275 3.561 -0.261 204 2HD ARG 22 2HD ARG 22 2.392 2.869 1.371 205 HE ARG 22 HE ARG 22 4.932 2.637 0.662 206 1HH1 ARG 22 2HH2 ARG 22 2.674 5.272 -0.020 207 2HH1 ARG 22 1HH2 ARG 22 3.914 6.505 -0.069 208 1HH2 ARG 22 2HH1 ARG 22 6.569 4.267 0.597 209 2HH2 ARG 22 1HH1 ARG 22 6.135 5.932 0.284 210 H ASN 23 H ASN 23 4.991 -1.114 3.513 211 HA ASN 23 HA ASN 23 4.197 0.823 5.598 212 1HB ASN 23 1HB ASN 23 2.639 -1.404 5.108 213 2HB ASN 23 2HB ASN 23 3.745 -1.984 6.371 214 1HD2 ASN 23 1HD2 ASN 23 2.409 -2.008 8.147 215 2HD2 ASN 23 2HD2 ASN 23 1.606 -0.589 8.784 216 H GLN 24 H GLN 24 6.649 -0.452 4.119 217 HA GLN 24 HA GLN 24 8.401 -0.362 6.375 218 1HB GLN 24 1HB GLN 24 9.121 -2.889 5.845 219 2HB GLN 24 2HB GLN 24 7.900 -2.496 7.079 220 1HG GLN 24 1HG GLN 24 6.097 -2.886 5.487 221 2HG GLN 24 2HG GLN 24 7.265 -3.125 4.169 222 1HE2 GLN 24 1HE2 GLN 24 5.460 -4.623 6.673 223 2HE2 GLN 24 2HE2 GLN 24 6.206 -6.205 6.606 224 H PHE 25 H PHE 25 9.114 -2.796 3.990 225 HA PHE 25 HA PHE 25 11.441 -1.952 3.021 226 1HB PHE 25 1HB PHE 25 10.543 -3.883 2.049 227 2HB PHE 25 2HB PHE 25 9.057 -3.059 1.547 228 HD1 PHE 25 1HD PHE 25 9.548 -0.966 -0.114 229 HD2 PHE 25 2HD PHE 25 12.032 -4.437 0.375 230 HE1 PHE 25 1HE PHE 25 10.515 -0.591 -2.367 231 HE2 PHE 25 2HE PHE 25 12.999 -4.062 -1.878 232 HZ PHE 25 HZ PHE 25 12.241 -2.139 -3.249 233 H TRP 26 H TRP 26 8.295 -0.576 1.949 234 HA TRP 26 HA TRP 26 9.136 1.170 -0.010 235 1HB TRP 26 1HB TRP 26 7.176 2.376 0.394 236 2HB TRP 26 2HB TRP 26 6.803 0.743 0.963 237 HD1 TRP 26 HD TRP 26 5.940 0.506 3.341 238 HE1 TRP 26 1HE TRP 26 5.593 2.040 5.345 239 HE3 TRP 26 3HE TRP 26 8.367 4.664 1.603 240 HZ2 TRP 26 2HZ TRP 26 6.281 4.745 6.110 241 HZ3 TRP 26 3HZ TRP 26 8.500 6.697 2.996 242 HH2 TRP 26 HH TRP 26 7.465 6.754 5.246 243 H VAL 27 H VAL 27 9.305 1.629 3.545 244 HA VAL 27 HA VAL 27 10.089 4.227 3.791 245 HB VAL 27 HB VAL 27 11.296 3.572 5.768 246 1HG1 VAL 27 1HG1 VAL 27 9.587 1.286 6.052 247 2HG1 VAL 27 2HG1 VAL 27 9.332 2.936 6.667 248 3HG1 VAL 27 3HG1 VAL 27 8.734 2.487 5.052 249 1HG2 VAL 27 1HG2 VAL 27 12.827 1.937 4.909 250 2HG2 VAL 27 2HG2 VAL 27 11.812 1.085 6.098 251 3HG2 VAL 27 3HG2 VAL 27 11.501 0.886 4.357 252 H LYS 28 H LYS 28 12.237 1.488 2.861 253 HA LYS 28 HA LYS 28 14.601 3.012 2.589 254 1HB LYS 28 1HB LYS 28 13.603 0.446 1.320 255 2HB LYS 28 2HB LYS 28 15.215 1.111 0.967 256 1HG LYS 28 1HG LYS 28 14.220 0.650 3.802 257 2HG LYS 28 2HG LYS 28 15.095 -0.595 2.879 258 1HD LYS 28 1HD LYS 28 16.737 1.529 2.459 259 2HD LYS 28 2HD LYS 28 16.085 1.962 4.058 260 1HE LYS 28 1HE LYS 28 16.590 -0.587 4.594 261 2HE LYS 28 2HE LYS 28 17.729 -0.425 3.240 262 1HZ LYS 28 1HZ LYS 28 17.918 1.748 5.009 263 2HZ LYS 28 2HZ LYS 28 18.136 0.326 5.815 264 3HZ LYS 28 3HZ LYS 28 19.085 0.692 4.517 265 H VAL 29 H VAL 29 11.866 2.438 0.383 266 HA VAL 29 HA VAL 29 12.890 3.272 -2.040 267 HB VAL 29 HB VAL 29 10.196 3.906 -0.774 268 1HG1 VAL 29 1HG1 VAL 29 11.115 4.017 -3.679 269 2HG1 VAL 29 2HG1 VAL 29 9.436 4.210 -3.121 270 3HG1 VAL 29 3HG1 VAL 29 10.668 5.413 -2.669 271 1HG2 VAL 29 1HG2 VAL 29 10.967 1.771 -2.799 272 2HG2 VAL 29 2HG2 VAL 29 10.937 1.478 -1.043 273 3HG2 VAL 29 3HG2 VAL 29 9.439 1.919 -1.898 274 H GLN 30 H GLN 30 12.687 5.080 0.888 275 HA GLN 30 HA GLN 30 12.888 7.657 -0.561 276 1HB GLN 30 1HB GLN 30 12.108 8.653 1.354 277 2HB GLN 30 2HB GLN 30 11.418 7.032 1.605 278 1HG GLN 30 1HG GLN 30 12.499 7.485 3.650 279 2HG GLN 30 2HG GLN 30 13.679 6.488 2.771 280 1HE2 GLN 30 1HE2 GLN 30 14.936 7.755 4.622 281 2HE2 GLN 30 2HE2 GLN 30 15.721 9.224 4.082 282 H ARG 31 H ARG 31 14.645 5.467 1.642 283 HA ARG 31 HA ARG 31 16.768 5.808 2.605 284 1HB ARG 31 1HB ARG 31 17.144 4.349 0.740 285 2HB ARG 31 2HB ARG 31 17.074 5.701 -0.415 286 1HG ARG 31 1HG ARG 31 19.241 6.265 -0.047 287 2HG ARG 31 2HG ARG 31 19.070 6.098 1.717 288 1HD ARG 31 1HD ARG 31 19.276 3.664 1.538 289 2HD ARG 31 2HD ARG 31 19.340 3.775 -0.235 290 HE ARG 31 HE ARG 31 21.523 4.157 1.599 291 1HH1 ARG 31 2HH2 ARG 31 20.138 5.299 -1.446 292 2HH1 ARG 31 1HH2 ARG 31 21.674 5.809 -2.112 293 1HH2 ARG 31 2HH1 ARG 31 23.552 4.829 0.720 294 2HH2 ARG 31 1HH1 ARG 31 23.620 5.541 -0.877 295 H GLY 32 H GLY 32 17.768 7.507 -0.304 296 1HA GLY 32 1HA GLY 32 18.651 9.763 1.348 297 2HA GLY 32 2HA GLY 32 19.012 9.481 -0.370 Start of MODEL 24 1 HA PRO 1 HA PRO 1 -7.843 10.371 2.399 2 1HB PRO 1 1HB PRO 1 -10.454 10.170 3.149 3 2HB PRO 1 2HB PRO 1 -9.169 10.633 4.312 4 1HG PRO 1 1HG PRO 1 -10.995 12.487 2.755 5 2HG PRO 1 2HG PRO 1 -10.700 12.483 4.525 6 1HD PRO 1 1HD PRO 1 -9.336 14.156 2.860 7 2HD PRO 1 2HD PRO 1 -8.501 13.357 4.227 8 HA PRO 2 HA PRO 2 -9.746 9.649 -1.506 9 1HB PRO 2 1HB PRO 2 -11.031 7.261 -1.239 10 2HB PRO 2 2HB PRO 2 -9.250 7.398 -1.083 11 1HG PRO 2 1HG PRO 2 -11.296 7.398 1.155 12 2HG PRO 2 2HG PRO 2 -9.838 6.363 1.013 13 1HD PRO 2 1HD PRO 2 -9.809 8.667 2.469 14 2HD PRO 2 2HD PRO 2 -8.400 8.212 1.464 15 H LEU 3 H LEU 3 -12.190 8.396 -2.154 16 HA LEU 3 HA LEU 3 -14.078 10.490 -1.248 17 1HB LEU 3 1HB LEU 3 -13.512 9.155 -3.741 18 2HB LEU 3 2HB LEU 3 -15.202 8.840 -3.277 19 HG LEU 3 HG LEU 3 -15.020 10.928 -4.593 20 1HD1 LEU 3 1HD1 LEU 3 -16.363 10.555 -2.198 21 2HD1 LEU 3 2HD1 LEU 3 -15.519 12.099 -1.929 22 3HD1 LEU 3 3HD1 LEU 3 -16.618 11.916 -3.317 23 1HD2 LEU 3 1HD2 LEU 3 -12.878 11.790 -4.220 24 2HD2 LEU 3 2HD2 LEU 3 -13.874 12.869 -3.215 25 3HD2 LEU 3 3HD2 LEU 3 -12.970 11.533 -2.462 26 H SER 4 H SER 4 -13.162 7.801 0.106 27 HA SER 4 HA SER 4 -14.162 6.269 1.480 28 1HB SER 4 1HB SER 4 -16.851 7.554 1.062 29 2HB SER 4 2HB SER 4 -16.130 6.890 2.548 30 HG SER 4 HG SER 4 -15.015 8.691 2.836 31 H GLN 5 H GLN 5 -14.471 4.220 0.858 32 HA GLN 5 HA GLN 5 -15.491 2.402 -0.129 33 1HB GLN 5 1HB GLN 5 -17.707 2.809 -0.203 34 2HB GLN 5 2HB GLN 5 -17.453 4.539 -0.536 35 1HG GLN 5 1HG GLN 5 -17.182 4.132 -2.890 36 2HG GLN 5 2HG GLN 5 -17.095 2.375 -2.640 37 1HE2 GLN 5 1HE2 GLN 5 -19.102 4.931 -3.529 38 2HE2 GLN 5 2HE2 GLN 5 -20.656 4.163 -3.284 39 H GLU 6 H GLU 6 -15.283 5.279 -2.291 40 HA GLU 6 HA GLU 6 -14.946 4.151 -4.741 41 1HB GLU 6 1HB GLU 6 -13.590 6.463 -3.368 42 2HB GLU 6 2HB GLU 6 -13.077 5.994 -5.006 43 1HG GLU 6 1HG GLU 6 -15.922 6.656 -4.143 44 2HG GLU 6 2HG GLU 6 -14.851 7.709 -5.093 45 H THR 7 H THR 7 -12.406 4.385 -2.202 46 HA THR 7 HA THR 7 -10.659 2.664 -3.855 47 HB THR 7 HB THR 7 -9.619 3.413 -1.241 48 HG1 THR 7 1HG THR 7 -10.585 5.457 -2.962 49 1HG2 THR 7 1HG2 THR 7 -8.404 2.744 -3.386 50 2HG2 THR 7 2HG2 THR 7 -8.814 4.356 -4.019 51 3HG2 THR 7 3HG2 THR 7 -7.782 4.202 -2.577 52 H PHE 8 H PHE 8 -10.491 2.618 -0.357 53 HA PHE 8 HA PHE 8 -10.156 0.454 0.695 54 1HB PHE 8 1HB PHE 8 -13.149 0.787 0.703 55 2HB PHE 8 2HB PHE 8 -12.071 0.323 2.030 56 HD1 PHE 8 1HD PHE 8 -12.182 3.237 -0.350 57 HD2 PHE 8 2HD PHE 8 -12.104 1.889 3.728 58 HE1 PHE 8 1HE PHE 8 -12.123 5.592 0.428 59 HE2 PHE 8 2HE PHE 8 -12.046 4.243 4.505 60 HZ PHE 8 HZ PHE 8 -12.055 6.095 2.855 61 H SER 9 H SER 9 -13.188 0.270 -1.263 62 HA SER 9 HA SER 9 -13.602 -2.372 -1.475 63 1HB SER 9 1HB SER 9 -14.757 -0.505 -2.749 64 2HB SER 9 2HB SER 9 -13.447 -0.616 -3.950 65 HG SER 9 HG SER 9 -14.089 -2.614 -4.488 66 H ASP 10 H ASP 10 -11.309 -0.687 -3.705 67 HA ASP 10 HA ASP 10 -9.979 -3.312 -4.127 68 1HB ASP 10 1HB ASP 10 -10.032 -0.729 -5.724 69 2HB ASP 10 2HB ASP 10 -8.955 -2.092 -6.098 70 H LEU 11 H LEU 11 -9.667 -0.197 -2.637 71 HA LEU 11 HA LEU 11 -6.816 0.030 -2.690 72 1HB LEU 11 1HB LEU 11 -8.782 1.710 -2.025 73 2HB LEU 11 2HB LEU 11 -8.433 1.085 -0.395 74 HG LEU 11 HG LEU 11 -6.659 2.644 -2.269 75 1HD1 LEU 11 1HD1 LEU 11 -6.939 4.158 -0.625 76 2HD1 LEU 11 2HD1 LEU 11 -7.942 2.998 0.279 77 3HD1 LEU 11 3HD1 LEU 11 -6.181 3.037 0.532 78 1HD2 LEU 11 1HD2 LEU 11 -5.827 0.493 -0.309 79 2HD2 LEU 11 2HD2 LEU 11 -5.214 0.811 -1.949 80 3HD2 LEU 11 3HD2 LEU 11 -4.777 1.898 -0.609 81 H TRP 12 H TRP 12 -8.913 -0.725 0.152 82 HA TRP 12 HA TRP 12 -6.904 -1.729 1.790 83 1HB TRP 12 1HB TRP 12 -8.646 -1.978 3.150 84 2HB TRP 12 2HB TRP 12 -9.703 -1.529 1.805 85 HD1 TRP 12 HD TRP 12 -11.545 -3.176 1.374 86 HE1 TRP 12 1HE TRP 12 -11.976 -5.661 1.732 87 HE3 TRP 12 3HE TRP 12 -7.007 -4.507 3.331 88 HZ2 TRP 12 2HZ TRP 12 -10.533 -7.956 2.746 89 HZ3 TRP 12 3HZ TRP 12 -6.573 -6.848 3.980 90 HH2 TRP 12 HH TRP 12 -8.321 -8.580 3.695 91 H LYS 13 H LYS 13 -8.721 -3.350 -0.814 92 HA LYS 13 HA LYS 13 -7.676 -5.973 -0.229 93 1HB LYS 13 1HB LYS 13 -9.675 -4.883 -1.848 94 2HB LYS 13 2HB LYS 13 -8.472 -5.499 -3.006 95 1HG LYS 13 1HG LYS 13 -8.538 -7.540 -1.168 96 2HG LYS 13 2HG LYS 13 -10.225 -6.974 -1.118 97 1HD LYS 13 1HD LYS 13 -10.240 -7.082 -3.652 98 2HD LYS 13 2HD LYS 13 -8.648 -7.872 -3.563 99 1HE LYS 13 1HE LYS 13 -9.784 -9.527 -1.922 100 2HE LYS 13 2HE LYS 13 -11.318 -8.870 -2.532 101 1HZ LYS 13 1HZ LYS 13 -10.912 -9.690 -4.599 102 2HZ LYS 13 2HZ LYS 13 -9.280 -9.804 -4.388 103 3HZ LYS 13 3HZ LYS 13 -10.284 -10.886 -3.653 104 H LEU 14 H LEU 14 -6.616 -3.177 -2.109 105 HA LEU 14 HA LEU 14 -4.711 -4.512 -3.751 106 1HB LEU 14 1HB LEU 14 -5.504 -1.790 -3.079 107 2HB LEU 14 2HB LEU 14 -3.735 -1.931 -3.213 108 HG LEU 14 HG LEU 14 -5.068 -1.446 -5.386 109 1HD1 LEU 14 1HD1 LEU 14 -3.594 -3.839 -6.098 110 2HD1 LEU 14 2HD1 LEU 14 -3.146 -2.134 -6.342 111 3HD1 LEU 14 3HD1 LEU 14 -2.728 -2.954 -4.819 112 1HD2 LEU 14 1HD2 LEU 14 -5.538 -4.051 -6.225 113 2HD2 LEU 14 2HD2 LEU 14 -6.130 -4.066 -4.547 114 3HD2 LEU 14 3HD2 LEU 14 -6.787 -2.891 -5.712 115 H LEU 15 H LEU 15 -4.394 -2.820 -0.584 116 HA LEU 15 HA LEU 15 -1.642 -3.207 -0.224 117 1HB LEU 15 1HB LEU 15 -4.014 -2.848 1.589 118 2HB LEU 15 2HB LEU 15 -2.442 -3.283 2.304 119 HG LEU 15 HG LEU 15 -3.052 -0.885 0.526 120 1HD1 LEU 15 1HD1 LEU 15 -1.703 -0.552 3.134 121 2HD1 LEU 15 2HD1 LEU 15 -3.076 0.342 2.439 122 3HD1 LEU 15 3HD1 LEU 15 -3.350 -1.215 3.257 123 1HD2 LEU 15 1HD2 LEU 15 -0.895 -1.161 -0.148 124 2HD2 LEU 15 2HD2 LEU 15 -0.484 -0.570 1.480 125 3HD2 LEU 15 3HD2 LEU 15 -0.539 -2.319 1.156 126 H LYS 16 H LYS 16 -4.248 -5.505 -0.223 127 HA LYS 16 HA LYS 16 -3.009 -7.483 1.458 128 1HB LYS 16 1HB LYS 16 -5.496 -7.156 0.515 129 2HB LYS 16 2HB LYS 16 -4.884 -8.252 -0.746 130 1HG LYS 16 1HG LYS 16 -4.462 -9.984 0.783 131 2HG LYS 16 2HG LYS 16 -4.398 -8.874 2.172 132 1HD LYS 16 1HD LYS 16 -6.801 -8.500 2.053 133 2HD LYS 16 2HD LYS 16 -6.912 -9.449 0.551 134 1HE LYS 16 1HE LYS 16 -5.680 -11.258 2.161 135 2HE LYS 16 2HE LYS 16 -6.618 -10.361 3.374 136 1HZ LYS 16 1HZ LYS 16 -7.778 -11.456 0.915 137 2HZ LYS 16 2HZ LYS 16 -7.765 -12.261 2.354 138 3HZ LYS 16 3HZ LYS 16 -8.579 -10.834 2.216 139 H LYS 17 H LYS 17 -1.586 -6.158 -1.020 140 HA LYS 17 HA LYS 17 -0.033 -8.495 -1.670 141 1HB LYS 17 1HB LYS 17 -1.305 -9.239 -3.381 142 2HB LYS 17 2HB LYS 17 -2.297 -7.762 -3.395 143 1HG LYS 17 1HG LYS 17 0.500 -8.014 -4.581 144 2HG LYS 17 2HG LYS 17 -1.016 -8.043 -5.512 145 1HD LYS 17 1HD LYS 17 -1.154 -5.758 -3.826 146 2HD LYS 17 2HD LYS 17 0.477 -5.760 -4.536 147 1HE LYS 17 1HE LYS 17 -1.617 -6.487 -6.468 148 2HE LYS 17 2HE LYS 17 -1.845 -4.864 -5.783 149 1HZ LYS 17 1HZ LYS 17 0.482 -4.442 -6.354 150 2HZ LYS 17 2HZ LYS 17 0.543 -5.892 -7.139 151 3HZ LYS 17 3HZ LYS 17 -0.478 -4.709 -7.668 152 H TRP 18 H TRP 18 -0.856 -5.125 -1.835 153 HA TRP 18 HA TRP 18 1.620 -4.464 -3.302 154 1HB TRP 18 1HB TRP 18 -0.896 -3.372 -3.273 155 2HB TRP 18 2HB TRP 18 -0.038 -2.311 -2.147 156 HD1 TRP 18 HD TRP 18 -0.813 -2.628 -5.669 157 HE1 TRP 18 1HE TRP 18 0.682 -1.186 -7.142 158 HE3 TRP 18 3HE TRP 18 2.849 -1.526 -2.267 159 HZ2 TRP 18 2HZ TRP 18 3.168 0.273 -6.886 160 HZ3 TRP 18 3HZ TRP 18 4.762 -0.109 -2.918 161 HH2 TRP 18 HH TRP 18 4.937 0.796 -5.217 162 H LYS 19 H LYS 19 0.068 -4.029 -0.096 163 HA LYS 19 HA LYS 19 1.867 -2.393 1.180 164 1HB LYS 19 1HB LYS 19 0.928 -3.167 3.128 165 2HB LYS 19 2HB LYS 19 -0.246 -3.851 1.978 166 1HG LYS 19 1HG LYS 19 0.946 -5.988 1.974 167 2HG LYS 19 2HG LYS 19 2.217 -5.314 3.022 168 1HD LYS 19 1HD LYS 19 0.889 -5.376 4.903 169 2HD LYS 19 2HD LYS 19 -0.607 -5.076 3.986 170 1HE LYS 19 1HE LYS 19 0.129 -7.511 2.983 171 2HE LYS 19 2HE LYS 19 0.747 -7.638 4.644 172 1HZ LYS 19 1HZ LYS 19 -1.474 -6.922 5.366 173 2HZ LYS 19 2HZ LYS 19 -2.002 -7.062 3.809 174 3HZ LYS 19 3HZ LYS 19 -1.453 -8.391 4.617 175 H MET 20 H MET 20 2.179 -5.961 0.763 176 HA MET 20 HA MET 20 4.406 -6.625 2.080 177 1HB MET 20 1HB MET 20 5.115 -7.911 -0.052 178 2HB MET 20 2HB MET 20 3.498 -8.241 0.615 179 1HG MET 20 1HG MET 20 2.763 -7.813 -1.476 180 2HG MET 20 2HG MET 20 2.980 -6.113 -1.028 181 1HE MET 20 1HE MET 20 4.525 -5.169 -4.240 182 2HE MET 20 2HE MET 20 2.918 -5.719 -3.708 183 3HE MET 20 3HE MET 20 3.859 -4.602 -2.690 184 H ARG 21 H ARG 21 4.357 -4.527 -0.813 185 HA ARG 21 HA ARG 21 7.275 -4.095 -0.505 186 1HB ARG 21 1HB ARG 21 5.932 -4.636 -2.742 187 2HB ARG 21 2HB ARG 21 5.640 -2.881 -2.710 188 1HG ARG 21 1HG ARG 21 7.699 -2.601 -3.590 189 2HG ARG 21 2HG ARG 21 8.370 -3.197 -2.053 190 1HD ARG 21 1HD ARG 21 9.263 -4.850 -3.332 191 2HD ARG 21 2HD ARG 21 7.630 -5.546 -3.267 192 HE ARG 21 HE ARG 21 7.590 -3.764 -5.409 193 1HH1 ARG 21 2HH2 ARG 21 9.432 -6.622 -4.439 194 2HH1 ARG 21 1HH2 ARG 21 9.738 -7.150 -6.079 195 1HH2 ARG 21 2HH1 ARG 21 7.994 -4.461 -7.574 196 2HH2 ARG 21 1HH1 ARG 21 8.918 -5.917 -7.866 197 H ARG 22 H ARG 22 4.135 -2.361 -0.692 198 HA ARG 22 HA ARG 22 5.358 0.207 -0.123 199 1HB ARG 22 1HB ARG 22 3.263 -0.091 -1.456 200 2HB ARG 22 2HB ARG 22 2.444 -0.659 0.019 201 1HG ARG 22 1HG ARG 22 3.713 1.718 0.802 202 2HG ARG 22 2HG ARG 22 3.077 2.072 -0.823 203 1HD ARG 22 1HD ARG 22 1.263 2.587 0.586 204 2HD ARG 22 2HD ARG 22 0.891 0.942 0.027 205 HE ARG 22 HE ARG 22 2.328 0.559 2.357 206 1HH1 ARG 22 2HH2 ARG 22 -0.573 2.354 1.430 207 2HH1 ARG 22 1HH2 ARG 22 -1.336 2.199 2.997 208 1HH2 ARG 22 2HH1 ARG 22 1.321 0.354 4.427 209 2HH2 ARG 22 1HH1 ARG 22 -0.256 1.058 4.706 210 H ASN 23 H ASN 23 5.741 -2.155 1.764 211 HA ASN 23 HA ASN 23 5.149 -0.627 4.210 212 1HB ASN 23 1HB ASN 23 3.437 -2.667 3.394 213 2HB ASN 23 2HB ASN 23 4.528 -3.472 4.542 214 1HD2 ASN 23 1HD2 ASN 23 1.790 -1.441 4.180 215 2HD2 ASN 23 2HD2 ASN 23 1.620 -0.950 5.852 216 H GLN 24 H GLN 24 7.440 -1.710 2.399 217 HA GLN 24 HA GLN 24 9.070 -2.654 4.679 218 1HB GLN 24 1HB GLN 24 8.649 -4.102 2.049 219 2HB GLN 24 2HB GLN 24 10.100 -4.354 3.048 220 1HG GLN 24 1HG GLN 24 8.038 -4.513 4.900 221 2HG GLN 24 2HG GLN 24 7.335 -5.287 3.463 222 1HE2 GLN 24 1HE2 GLN 24 7.571 -7.015 5.407 223 2HE2 GLN 24 2HE2 GLN 24 8.983 -8.039 5.257 224 H PHE 25 H PHE 25 10.289 -3.061 1.465 225 HA PHE 25 HA PHE 25 12.393 -1.192 1.863 226 1HB PHE 25 1HB PHE 25 13.098 -2.602 0.265 227 2HB PHE 25 2HB PHE 25 11.444 -3.039 -0.199 228 HD1 PHE 25 1HD PHE 25 10.204 -0.763 -1.293 229 HD2 PHE 25 2HD PHE 25 14.350 -1.865 -1.528 230 HE1 PHE 25 1HE PHE 25 10.437 0.558 -3.379 231 HE2 PHE 25 2HE PHE 25 14.583 -0.543 -3.614 232 HZ PHE 25 HZ PHE 25 12.626 0.668 -4.539 233 H TRP 26 H TRP 26 9.136 -0.620 1.337 234 HA TRP 26 HA TRP 26 9.451 1.670 -0.452 235 1HB TRP 26 1HB TRP 26 7.288 0.082 0.729 236 2HB TRP 26 2HB TRP 26 6.948 1.818 0.734 237 HD1 TRP 26 HD TRP 26 7.308 -1.166 -1.560 238 HE1 TRP 26 1HE TRP 26 6.534 -0.579 -3.914 239 HE3 TRP 26 3HE TRP 26 6.760 3.891 -0.992 240 HZ2 TRP 26 2HZ TRP 26 5.768 1.793 -5.384 241 HZ3 TRP 26 3HZ TRP 26 6.007 5.279 -2.889 242 HH2 TRP 26 HH TRP 26 5.509 4.248 -5.086 243 H VAL 27 H VAL 27 7.866 1.459 2.772 244 HA VAL 27 HA VAL 27 7.745 3.916 3.666 245 HB VAL 27 HB VAL 27 8.350 3.198 5.893 246 1HG1 VAL 27 1HG1 VAL 27 7.461 0.643 4.537 247 2HG1 VAL 27 2HG1 VAL 27 6.918 1.338 6.083 248 3HG1 VAL 27 3HG1 VAL 27 6.406 2.076 4.546 249 1HG2 VAL 27 1HG2 VAL 27 10.135 1.357 4.351 250 2HG2 VAL 27 2HG2 VAL 27 10.424 2.198 5.892 251 3HG2 VAL 27 3HG2 VAL 27 9.431 0.721 5.857 252 H LYS 28 H LYS 28 10.869 2.276 3.103 253 HA LYS 28 HA LYS 28 12.480 4.429 4.103 254 1HB LYS 28 1HB LYS 28 12.979 2.055 2.285 255 2HB LYS 28 2HB LYS 28 14.256 3.231 2.678 256 1HG LYS 28 1HG LYS 28 13.591 2.829 5.153 257 2HG LYS 28 2HG LYS 28 12.739 1.387 4.549 258 1HD LYS 28 1HD LYS 28 14.688 0.260 4.464 259 2HD LYS 28 2HD LYS 28 15.350 1.474 3.343 260 1HE LYS 28 1HE LYS 28 15.538 2.871 5.644 261 2HE LYS 28 2HE LYS 28 15.663 1.227 6.308 262 1HZ LYS 28 1HZ LYS 28 17.557 2.712 4.855 263 2HZ LYS 28 2HZ LYS 28 17.750 1.317 5.713 264 3HZ LYS 28 3HZ LYS 28 17.279 1.255 4.133 265 H VAL 29 H VAL 29 11.253 3.508 0.864 266 HA VAL 29 HA VAL 29 12.637 5.279 -0.744 267 HB VAL 29 HB VAL 29 10.651 5.232 -2.210 268 1HG1 VAL 29 1HG1 VAL 29 11.857 3.260 -2.481 269 2HG1 VAL 29 2HG1 VAL 29 11.617 2.758 -0.790 270 3HG1 VAL 29 3HG1 VAL 29 10.284 2.610 -1.959 271 1HG2 VAL 29 1HG2 VAL 29 9.289 5.032 0.285 272 2HG2 VAL 29 2HG2 VAL 29 8.575 5.081 -1.345 273 3HG2 VAL 29 3HG2 VAL 29 8.974 3.516 -0.595 274 H GLN 30 H GLN 30 10.559 6.025 1.888 275 HA GLN 30 HA GLN 30 9.940 8.723 0.873 276 1HB GLN 30 1HB GLN 30 8.243 8.696 2.375 277 2HB GLN 30 2HB GLN 30 8.557 6.946 2.457 278 1HG GLN 30 1HG GLN 30 10.156 7.340 4.320 279 2HG GLN 30 2HG GLN 30 9.788 9.078 4.253 280 1HE2 GLN 30 1HE2 GLN 30 8.362 5.839 4.814 281 2HE2 GLN 30 2HE2 GLN 30 7.055 6.391 5.839 282 H ARG 31 H ARG 31 11.760 7.097 3.509 283 HA ARG 31 HA ARG 31 13.146 8.081 5.115 284 1HB ARG 31 1HB ARG 31 14.658 7.366 3.382 285 2HB ARG 31 2HB ARG 31 14.305 8.809 2.401 286 1HG ARG 31 1HG ARG 31 15.435 10.251 3.909 287 2HG ARG 31 2HG ARG 31 15.422 9.038 5.212 288 1HD ARG 31 1HD ARG 31 16.757 7.663 3.272 289 2HD ARG 31 2HD ARG 31 17.255 9.324 2.882 290 HE ARG 31 HE ARG 31 18.165 7.741 5.086 291 1HH1 ARG 31 2HH2 ARG 31 17.188 11.024 4.210 292 2HH1 ARG 31 1HH2 ARG 31 18.190 11.793 5.421 293 1HH2 ARG 31 2HH1 ARG 31 19.489 8.756 6.686 294 2HH2 ARG 31 1HH1 ARG 31 19.502 10.499 6.832 295 H GLY 32 H GLY 32 11.711 9.633 6.077 296 1HA GLY 32 1HA GLY 32 12.274 12.426 5.182 297 2HA GLY 32 2HA GLY 32 10.692 11.901 5.802 Start of MODEL 25 1 HA PRO 1 HA PRO 1 -15.674 11.547 -4.172 2 1HB PRO 1 1HB PRO 1 -13.731 9.693 -3.711 3 2HB PRO 1 2HB PRO 1 -13.915 10.493 -5.306 4 1HG PRO 1 1HG PRO 1 -12.036 11.280 -3.060 5 2HG PRO 1 2HG PRO 1 -11.615 10.991 -4.780 6 1HD PRO 1 1HD PRO 1 -12.092 13.503 -3.836 7 2HD PRO 1 2HD PRO 1 -12.689 13.012 -5.450 8 HA PRO 2 HA PRO 2 -16.229 11.077 0.170 9 1HB PRO 2 1HB PRO 2 -17.186 8.536 0.396 10 2HB PRO 2 2HB PRO 2 -18.093 9.814 -0.476 11 1HG PRO 2 1HG PRO 2 -16.235 7.738 -1.672 12 2HG PRO 2 2HG PRO 2 -17.919 8.108 -2.169 13 1HD PRO 2 1HD PRO 2 -15.782 9.215 -3.449 14 2HD PRO 2 2HD PRO 2 -17.249 10.188 -3.125 15 H LEU 3 H LEU 3 -15.905 8.775 1.751 16 HA LEU 3 HA LEU 3 -13.224 7.703 1.305 17 1HB LEU 3 1HB LEU 3 -12.803 8.629 3.824 18 2HB LEU 3 2HB LEU 3 -12.265 9.486 2.359 19 HG LEU 3 HG LEU 3 -13.637 10.817 4.133 20 1HD1 LEU 3 1HD1 LEU 3 -15.055 11.125 1.557 21 2HD1 LEU 3 2HD1 LEU 3 -14.039 12.286 2.445 22 3HD1 LEU 3 3HD1 LEU 3 -13.283 11.060 1.400 23 1HD2 LEU 3 1HD2 LEU 3 -15.466 8.699 3.455 24 2HD2 LEU 3 2HD2 LEU 3 -15.694 10.033 4.612 25 3HD2 LEU 3 3HD2 LEU 3 -16.160 10.244 2.907 26 H SER 4 H SER 4 -15.229 6.083 1.244 27 HA SER 4 HA SER 4 -14.952 4.434 3.555 28 1HB SER 4 1HB SER 4 -16.672 6.464 4.095 29 2HB SER 4 2HB SER 4 -17.796 5.294 3.361 30 HG SER 4 HG SER 4 -16.579 5.238 5.779 31 H GLN 5 H GLN 5 -15.005 4.612 0.502 32 HA GLN 5 HA GLN 5 -15.910 2.007 -0.026 33 1HB GLN 5 1HB GLN 5 -18.077 3.779 0.270 34 2HB GLN 5 2HB GLN 5 -17.876 3.580 -1.487 35 1HG GLN 5 1HG GLN 5 -17.560 1.009 -0.730 36 2HG GLN 5 2HG GLN 5 -18.597 1.563 0.603 37 1HE2 GLN 5 1HE2 GLN 5 -19.656 -0.345 -0.993 38 2HE2 GLN 5 2HE2 GLN 5 -20.867 0.325 -2.065 39 H GLU 6 H GLU 6 -15.692 5.345 -1.327 40 HA GLU 6 HA GLU 6 -15.287 4.897 -3.999 41 1HB GLU 6 1HB GLU 6 -15.182 7.082 -2.624 42 2HB GLU 6 2HB GLU 6 -13.452 6.717 -2.420 43 1HG GLU 6 1HG GLU 6 -14.580 6.512 -5.185 44 2HG GLU 6 2HG GLU 6 -14.394 8.143 -4.505 45 H THR 7 H THR 7 -12.655 4.864 -1.520 46 HA THR 7 HA THR 7 -10.917 3.483 -3.459 47 HB THR 7 HB THR 7 -9.801 3.831 -0.803 48 HG1 THR 7 1HG THR 7 -9.978 6.089 -0.766 49 1HG2 THR 7 1HG2 THR 7 -8.351 3.681 -2.677 50 2HG2 THR 7 2HG2 THR 7 -9.294 4.869 -3.608 51 3HG2 THR 7 3HG2 THR 7 -8.308 5.402 -2.225 52 H PHE 8 H PHE 8 -10.723 2.893 0.006 53 HA PHE 8 HA PHE 8 -10.210 0.591 0.658 54 1HB PHE 8 1HB PHE 8 -13.212 0.786 0.816 55 2HB PHE 8 2HB PHE 8 -12.067 0.151 2.010 56 HD1 PHE 8 1HD PHE 8 -12.416 3.416 0.168 57 HD2 PHE 8 2HD PHE 8 -12.051 1.406 3.947 58 HE1 PHE 8 1HE PHE 8 -12.413 5.606 1.332 59 HE2 PHE 8 2HE PHE 8 -12.048 3.596 5.111 60 HZ PHE 8 HZ PHE 8 -12.229 5.696 3.804 61 H SER 9 H SER 9 -13.287 0.616 -1.240 62 HA SER 9 HA SER 9 -13.622 -1.974 -1.865 63 1HB SER 9 1HB SER 9 -14.877 0.025 -2.791 64 2HB SER 9 2HB SER 9 -13.595 0.171 -4.017 65 HG SER 9 HG SER 9 -14.114 -2.238 -4.262 66 H ASP 10 H ASP 10 -11.438 0.137 -3.824 67 HA ASP 10 HA ASP 10 -10.051 -2.331 -4.726 68 1HB ASP 10 1HB ASP 10 -11.064 -0.555 -6.330 69 2HB ASP 10 2HB ASP 10 -9.679 0.450 -5.852 70 H LEU 11 H LEU 11 -9.777 0.477 -2.704 71 HA LEU 11 HA LEU 11 -6.926 0.752 -2.748 72 1HB LEU 11 1HB LEU 11 -8.875 2.297 -1.818 73 2HB LEU 11 2HB LEU 11 -8.570 1.394 -0.315 74 HG LEU 11 HG LEU 11 -6.594 3.052 -1.928 75 1HD1 LEU 11 1HD1 LEU 11 -8.079 3.299 0.644 76 2HD1 LEU 11 2HD1 LEU 11 -6.366 3.781 0.689 77 3HD1 LEU 11 3HD1 LEU 11 -7.481 4.565 -0.456 78 1HD2 LEU 11 1HD2 LEU 11 -5.003 2.301 -0.031 79 2HD2 LEU 11 2HD2 LEU 11 -6.164 0.981 0.249 80 3HD2 LEU 11 3HD2 LEU 11 -5.341 1.124 -1.323 81 H TRP 12 H TRP 12 -8.970 -0.460 -0.032 82 HA TRP 12 HA TRP 12 -6.927 -1.715 1.377 83 1HB TRP 12 1HB TRP 12 -8.639 -2.163 2.724 84 2HB TRP 12 2HB TRP 12 -9.728 -1.517 1.488 85 HD1 TRP 12 HD TRP 12 -11.589 -3.081 0.874 86 HE1 TRP 12 1HE TRP 12 -12.013 -5.593 0.856 87 HE3 TRP 12 3HE TRP 12 -6.992 -4.688 2.453 88 HZ2 TRP 12 2HZ TRP 12 -10.543 -8.014 1.452 89 HZ3 TRP 12 3HZ TRP 12 -6.543 -7.100 2.716 90 HH2 TRP 12 HH TRP 12 -8.303 -8.772 2.221 91 H LYS 13 H LYS 13 -8.843 -2.914 -1.386 92 HA LYS 13 HA LYS 13 -7.810 -5.595 -1.258 93 1HB LYS 13 1HB LYS 13 -9.866 -4.352 -2.570 94 2HB LYS 13 2HB LYS 13 -8.678 -4.528 -3.884 95 1HG LYS 13 1HG LYS 13 -9.275 -6.848 -2.036 96 2HG LYS 13 2HG LYS 13 -10.344 -6.496 -3.414 97 1HD LYS 13 1HD LYS 13 -8.775 -7.125 -4.963 98 2HD LYS 13 2HD LYS 13 -7.420 -6.494 -3.997 99 1HE LYS 13 1HE LYS 13 -7.539 -8.413 -2.495 100 2HE LYS 13 2HE LYS 13 -8.989 -9.015 -3.326 101 1HZ LYS 13 1HZ LYS 13 -6.383 -8.661 -4.623 102 2HZ LYS 13 2HZ LYS 13 -6.915 -10.089 -3.994 103 3HZ LYS 13 3HZ LYS 13 -7.720 -9.392 -5.253 104 H LEU 14 H LEU 14 -6.768 -2.555 -2.749 105 HA LEU 14 HA LEU 14 -4.803 -3.766 -4.479 106 1HB LEU 14 1HB LEU 14 -5.541 -1.004 -3.570 107 2HB LEU 14 2HB LEU 14 -3.929 -1.253 -4.281 108 HG LEU 14 HG LEU 14 -6.374 -0.938 -5.666 109 1HD1 LEU 14 1HD1 LEU 14 -3.512 -1.383 -6.196 110 2HD1 LEU 14 2HD1 LEU 14 -4.564 -2.006 -7.489 111 3HD1 LEU 14 3HD1 LEU 14 -4.663 -0.295 -7.009 112 1HD2 LEU 14 1HD2 LEU 14 -5.315 -3.691 -6.293 113 2HD2 LEU 14 2HD2 LEU 14 -6.508 -3.493 -4.987 114 3HD2 LEU 14 3HD2 LEU 14 -6.912 -2.988 -6.646 115 H LEU 15 H LEU 15 -4.803 -2.356 -1.192 116 HA LEU 15 HA LEU 15 -1.963 -2.474 -0.843 117 1HB LEU 15 1HB LEU 15 -4.369 -1.906 0.766 118 2HB LEU 15 2HB LEU 15 -3.045 -2.657 1.689 119 HG LEU 15 HG LEU 15 -1.508 -0.929 1.077 120 1HD1 LEU 15 1HD1 LEU 15 -1.662 0.349 -0.810 121 2HD1 LEU 15 2HD1 LEU 15 -2.827 -0.895 -1.323 122 3HD1 LEU 15 3HD1 LEU 15 -3.408 0.624 -0.600 123 1HD2 LEU 15 1HD2 LEU 15 -4.244 -0.096 1.952 124 2HD2 LEU 15 2HD2 LEU 15 -2.679 0.084 2.780 125 3HD2 LEU 15 3HD2 LEU 15 -3.127 1.203 1.470 126 H LYS 16 H LYS 16 -4.324 -4.904 -1.123 127 HA LYS 16 HA LYS 16 -3.285 -6.794 0.777 128 1HB LYS 16 1HB LYS 16 -5.513 -6.600 -0.861 129 2HB LYS 16 2HB LYS 16 -4.568 -7.897 -1.631 130 1HG LYS 16 1HG LYS 16 -4.925 -7.882 1.368 131 2HG LYS 16 2HG LYS 16 -6.237 -8.484 0.326 132 1HD LYS 16 1HD LYS 16 -3.937 -9.660 -0.748 133 2HD LYS 16 2HD LYS 16 -3.671 -9.732 1.011 134 1HE LYS 16 1HE LYS 16 -5.036 -11.525 1.040 135 2HE LYS 16 2HE LYS 16 -6.372 -10.407 0.689 136 1HZ LYS 16 1HZ LYS 16 -5.882 -12.399 -0.839 137 2HZ LYS 16 2HZ LYS 16 -6.340 -10.952 -1.484 138 3HZ LYS 16 3HZ LYS 16 -4.752 -11.398 -1.503 139 H LYS 17 H LYS 17 -1.575 -5.361 -1.497 140 HA LYS 17 HA LYS 17 0.268 -7.569 -1.777 141 1HB LYS 17 1HB LYS 17 -0.710 -8.424 -3.641 142 2HB LYS 17 2HB LYS 17 -1.656 -6.947 -3.943 143 1HG LYS 17 1HG LYS 17 1.341 -7.177 -4.437 144 2HG LYS 17 2HG LYS 17 0.105 -7.420 -5.695 145 1HD LYS 17 1HD LYS 17 -0.628 -5.013 -4.448 146 2HD LYS 17 2HD LYS 17 1.146 -4.929 -4.568 147 1HE LYS 17 1HE LYS 17 0.860 -5.704 -7.002 148 2HE LYS 17 2HE LYS 17 -0.870 -5.353 -6.798 149 1HZ LYS 17 1HZ LYS 17 1.021 -3.592 -7.514 150 2HZ LYS 17 2HZ LYS 17 -0.480 -3.213 -6.944 151 3HZ LYS 17 3HZ LYS 17 0.808 -3.249 -5.914 152 H TRP 18 H TRP 18 -0.833 -4.315 -2.725 153 HA TRP 18 HA TRP 18 1.758 -3.433 -3.623 154 1HB TRP 18 1HB TRP 18 -0.781 -2.516 -3.861 155 2HB TRP 18 2HB TRP 18 -0.205 -1.479 -2.548 156 HD1 TRP 18 HD TRP 18 -0.418 -1.584 -6.164 157 HE1 TRP 18 1HE TRP 18 1.121 0.103 -7.291 158 HE3 TRP 18 3HE TRP 18 2.565 -0.421 -2.171 159 HZ2 TRP 18 2HZ TRP 18 3.377 1.762 -6.558 160 HZ3 TRP 18 3HZ TRP 18 4.396 1.214 -2.424 161 HH2 TRP 18 HH TRP 18 4.814 2.311 -4.605 162 H LYS 19 H LYS 19 -0.100 -3.134 -0.562 163 HA LYS 19 HA LYS 19 1.819 -1.528 0.790 164 1HB LYS 19 1HB LYS 19 0.165 -1.550 2.306 165 2HB LYS 19 2HB LYS 19 -0.690 -2.771 1.333 166 1HG LYS 19 1HG LYS 19 0.484 -4.576 2.469 167 2HG LYS 19 2HG LYS 19 1.509 -3.413 3.342 168 1HD LYS 19 1HD LYS 19 -0.986 -2.487 3.989 169 2HD LYS 19 2HD LYS 19 -1.302 -4.233 3.851 170 1HE LYS 19 1HE LYS 19 1.060 -3.147 5.413 171 2HE LYS 19 2HE LYS 19 -0.543 -3.343 6.155 172 1HZ LYS 19 1HZ LYS 19 0.709 -5.270 6.545 173 2HZ LYS 19 2HZ LYS 19 -0.440 -5.666 5.430 174 3HZ LYS 19 3HZ LYS 19 1.124 -5.436 4.958 175 H MET 20 H MET 20 1.330 -5.084 0.611 176 HA MET 20 HA MET 20 3.047 -6.095 2.422 177 1HB MET 20 1HB MET 20 1.992 -7.590 0.907 178 2HB MET 20 2HB MET 20 2.729 -6.802 -0.509 179 1HG MET 20 1HG MET 20 4.849 -7.569 1.227 180 2HG MET 20 2HG MET 20 3.752 -8.956 1.116 181 1HE MET 20 1HE MET 20 5.660 -6.890 -2.566 182 2HE MET 20 2HE MET 20 4.323 -6.204 -1.612 183 3HE MET 20 3HE MET 20 5.940 -6.369 -0.887 184 H ARG 21 H ARG 21 4.014 -4.435 -0.597 185 HA ARG 21 HA ARG 21 6.855 -4.691 0.182 186 1HB ARG 21 1HB ARG 21 5.420 -4.619 -2.281 187 2HB ARG 21 2HB ARG 21 6.426 -3.151 -2.213 188 1HG ARG 21 1HG ARG 21 8.407 -4.344 -2.166 189 2HG ARG 21 2HG ARG 21 7.670 -5.741 -1.344 190 1HD ARG 21 1HD ARG 21 6.331 -5.546 -3.816 191 2HD ARG 21 2HD ARG 21 8.042 -5.252 -4.195 192 HE ARG 21 HE ARG 21 6.840 -7.757 -3.410 193 1HH1 ARG 21 2HH2 ARG 21 9.772 -5.792 -3.199 194 2HH1 ARG 21 1HH2 ARG 21 10.841 -7.163 -3.005 195 1HH2 ARG 21 2HH1 ARG 21 8.253 -9.568 -3.154 196 2HH2 ARG 21 1HH1 ARG 21 9.975 -9.316 -2.979 197 H ARG 22 H ARG 22 4.240 -2.312 -0.233 198 HA ARG 22 HA ARG 22 5.988 -0.038 0.230 199 1HB ARG 22 1HB ARG 22 3.694 -0.210 -1.052 200 2HB ARG 22 2HB ARG 22 2.993 0.012 0.569 201 1HG ARG 22 1HG ARG 22 5.228 1.840 -0.257 202 2HG ARG 22 2HG ARG 22 3.625 2.103 -0.985 203 1HD ARG 22 1HD ARG 22 4.497 2.350 1.877 204 2HD ARG 22 2HD ARG 22 3.412 3.389 0.929 205 HE ARG 22 HE ARG 22 2.699 0.941 2.398 206 1HH1 ARG 22 2HH2 ARG 22 1.794 3.415 0.040 207 2HH1 ARG 22 1HH2 ARG 22 0.075 3.128 0.194 208 1HH2 ARG 22 2HH1 ARG 22 0.428 0.562 2.601 209 2HH2 ARG 22 1HH1 ARG 22 -0.703 1.501 1.654 210 H ASN 23 H ASN 23 6.027 -2.231 2.234 211 HA ASN 23 HA ASN 23 5.551 -0.523 4.589 212 1HB ASN 23 1HB ASN 23 3.667 -2.425 3.848 213 2HB ASN 23 2HB ASN 23 4.671 -3.289 5.031 214 1HD2 ASN 23 1HD2 ASN 23 2.746 -0.319 4.488 215 2HD2 ASN 23 2HD2 ASN 23 2.383 -0.027 6.176 216 H GLN 24 H GLN 24 7.754 -1.922 2.871 217 HA GLN 24 HA GLN 24 9.278 -2.847 5.227 218 1HB GLN 24 1HB GLN 24 8.812 -4.448 2.686 219 2HB GLN 24 2HB GLN 24 10.120 -4.794 3.843 220 1HG GLN 24 1HG GLN 24 8.013 -4.613 5.551 221 2HG GLN 24 2HG GLN 24 7.178 -5.205 4.099 222 1HE2 GLN 24 1HE2 GLN 24 7.740 -7.258 3.209 223 2HE2 GLN 24 2HE2 GLN 24 8.621 -8.445 4.146 224 H PHE 25 H PHE 25 10.534 -3.688 2.142 225 HA PHE 25 HA PHE 25 12.759 -1.943 2.391 226 1HB PHE 25 1HB PHE 25 13.405 -3.563 0.983 227 2HB PHE 25 2HB PHE 25 11.735 -3.954 0.539 228 HD1 PHE 25 1HD PHE 25 10.666 -1.736 -0.843 229 HD2 PHE 25 2HD PHE 25 14.719 -3.158 -0.872 230 HE1 PHE 25 1HE PHE 25 11.013 -0.701 -3.070 231 HE2 PHE 25 2HE PHE 25 15.067 -2.123 -3.099 232 HZ PHE 25 HZ PHE 25 13.214 -0.894 -4.198 233 H TRP 26 H TRP 26 9.578 -1.181 1.708 234 HA TRP 26 HA TRP 26 10.116 0.846 -0.330 235 1HB TRP 26 1HB TRP 26 7.799 -0.402 0.980 236 2HB TRP 26 2HB TRP 26 7.608 1.338 0.717 237 HD1 TRP 26 HD TRP 26 7.754 -1.973 -1.095 238 HE1 TRP 26 1HE TRP 26 7.104 -1.683 -3.541 239 HE3 TRP 26 3HE TRP 26 7.672 3.140 -1.306 240 HZ2 TRP 26 2HZ TRP 26 6.607 0.499 -5.376 241 HZ3 TRP 26 3HZ TRP 26 7.107 4.287 -3.416 242 HH2 TRP 26 HH TRP 26 6.574 2.985 -5.455 243 H VAL 27 H VAL 27 8.434 1.145 2.836 244 HA VAL 27 HA VAL 27 8.496 3.695 3.431 245 HB VAL 27 HB VAL 27 8.943 3.202 5.744 246 1HG1 VAL 27 1HG1 VAL 27 7.331 1.556 6.063 247 2HG1 VAL 27 2HG1 VAL 27 7.032 1.971 4.358 248 3HG1 VAL 27 3HG1 VAL 27 7.980 0.521 4.769 249 1HG2 VAL 27 1HG2 VAL 27 10.626 1.026 4.532 250 2HG2 VAL 27 2HG2 VAL 27 10.985 2.112 5.896 251 3HG2 VAL 27 3HG2 VAL 27 9.885 0.731 6.124 252 H LYS 28 H LYS 28 11.487 1.747 3.211 253 HA LYS 28 HA LYS 28 13.249 3.854 4.016 254 1HB LYS 28 1HB LYS 28 13.581 1.264 2.478 255 2HB LYS 28 2HB LYS 28 14.947 2.366 2.773 256 1HG LYS 28 1HG LYS 28 13.150 1.479 5.043 257 2HG LYS 28 2HG LYS 28 14.500 0.456 4.496 258 1HD LYS 28 1HD LYS 28 16.114 1.985 5.177 259 2HD LYS 28 2HD LYS 28 15.017 3.377 5.009 260 1HE LYS 28 1HE LYS 28 13.679 2.271 6.951 261 2HE LYS 28 2HE LYS 28 15.156 1.323 7.229 262 1HZ LYS 28 1HZ LYS 28 15.466 3.129 8.535 263 2HZ LYS 28 2HZ LYS 28 16.246 3.619 7.167 264 3HZ LYS 28 3HZ LYS 28 14.733 4.185 7.502 265 H VAL 29 H VAL 29 11.996 2.724 0.858 266 HA VAL 29 HA VAL 29 13.587 4.210 -0.868 267 HB VAL 29 HB VAL 29 11.670 4.123 -2.412 268 1HG1 VAL 29 1HG1 VAL 29 12.393 1.769 -0.682 269 2HG1 VAL 29 2HG1 VAL 29 11.089 1.578 -1.878 270 3HG1 VAL 29 3HG1 VAL 29 12.721 2.050 -2.409 271 1HG2 VAL 29 1HG2 VAL 29 9.557 4.238 -1.637 272 2HG2 VAL 29 2HG2 VAL 29 9.790 2.727 -0.724 273 3HG2 VAL 29 3HG2 VAL 29 10.192 4.291 0.025 274 H GLN 30 H GLN 30 11.508 5.360 1.600 275 HA GLN 30 HA GLN 30 11.165 7.990 0.282 276 1HB GLN 30 1HB GLN 30 9.395 8.327 1.708 277 2HB GLN 30 2HB GLN 30 9.395 6.547 1.702 278 1HG GLN 30 1HG GLN 30 11.195 6.947 3.662 279 2HG GLN 30 2HG GLN 30 10.276 8.458 3.833 280 1HE2 GLN 30 1HE2 GLN 30 10.483 6.020 5.604 281 2HE2 GLN 30 2HE2 GLN 30 8.830 5.496 5.846 282 H ARG 31 H ARG 31 12.968 6.304 2.788 283 HA ARG 31 HA ARG 31 13.834 7.959 4.633 284 1HB ARG 31 1HB ARG 31 14.945 5.797 3.761 285 2HB ARG 31 2HB ARG 31 15.926 6.869 2.732 286 1HG ARG 31 1HG ARG 31 15.701 7.652 5.602 287 2HG ARG 31 2HG ARG 31 16.635 6.174 5.265 288 1HD ARG 31 1HD ARG 31 17.885 7.499 3.491 289 2HD ARG 31 2HD ARG 31 17.081 8.955 4.118 290 HE ARG 31 HE ARG 31 19.328 7.576 5.285 291 1HH1 ARG 31 2HH2 ARG 31 16.394 9.403 6.032 292 2HH1 ARG 31 1HH2 ARG 31 16.990 9.997 7.566 293 1HH2 ARG 31 2HH1 ARG 31 20.115 8.360 7.312 294 2HH2 ARG 31 1HH1 ARG 31 19.111 9.402 8.296 295 H GLY 32 H GLY 32 15.048 8.325 1.248 296 1HA GLY 32 1HA GLY 32 14.711 10.931 0.750 297 2HA GLY 32 2HA GLY 32 16.054 11.008 1.913 Start of MODEL 26 1 HA PRO 1 HA PRO 1 -10.570 7.660 2.954 2 1HB PRO 1 1HB PRO 1 -11.991 6.528 4.985 3 2HB PRO 1 2HB PRO 1 -10.198 6.564 4.991 4 1HG PRO 1 1HG PRO 1 -12.080 8.514 6.350 5 2HG PRO 1 2HG PRO 1 -10.707 7.629 7.093 6 1HD PRO 1 1HD PRO 1 -10.425 10.181 6.178 7 2HD PRO 1 2HD PRO 1 -9.122 8.979 5.930 8 HA PRO 2 HA PRO 2 -14.386 10.031 2.113 9 1HB PRO 2 1HB PRO 2 -14.458 9.519 -0.562 10 2HB PRO 2 2HB PRO 2 -13.315 10.708 0.143 11 1HG PRO 2 1HG PRO 2 -12.765 7.802 -0.522 12 2HG PRO 2 2HG PRO 2 -11.812 9.233 -1.031 13 1HD PRO 2 1HD PRO 2 -11.113 7.764 1.155 14 2HD PRO 2 2HD PRO 2 -10.981 9.549 1.182 15 H LEU 3 H LEU 3 -15.941 8.828 -0.031 16 HA LEU 3 HA LEU 3 -16.354 6.030 0.672 17 1HB LEU 3 1HB LEU 3 -17.692 8.034 2.176 18 2HB LEU 3 2HB LEU 3 -18.896 7.348 1.059 19 HG LEU 3 HG LEU 3 -17.760 5.050 1.827 20 1HD1 LEU 3 1HD1 LEU 3 -17.571 5.704 4.509 21 2HD1 LEU 3 2HD1 LEU 3 -16.187 5.450 3.418 22 3HD1 LEU 3 3HD1 LEU 3 -16.788 7.097 3.725 23 1HD2 LEU 3 1HD2 LEU 3 -19.959 6.735 2.922 24 2HD2 LEU 3 2HD2 LEU 3 -20.002 5.070 2.293 25 3HD2 LEU 3 3HD2 LEU 3 -19.438 5.381 3.953 26 H SER 4 H SER 4 -15.610 7.206 -1.736 27 HA SER 4 HA SER 4 -18.136 7.038 -3.314 28 1HB SER 4 1HB SER 4 -16.303 9.132 -3.194 29 2HB SER 4 2HB SER 4 -15.827 8.244 -4.661 30 HG SER 4 HG SER 4 -17.592 8.876 -5.588 31 H GLN 5 H GLN 5 -15.471 5.321 -2.367 32 HA GLN 5 HA GLN 5 -14.759 3.259 -3.147 33 1HB GLN 5 1HB GLN 5 -17.006 3.721 -4.749 34 2HB GLN 5 2HB GLN 5 -15.691 3.432 -5.914 35 1HG GLN 5 1HG GLN 5 -15.064 1.421 -4.406 36 2HG GLN 5 2HG GLN 5 -16.672 1.632 -3.681 37 1HE2 GLN 5 1HE2 GLN 5 -15.981 -0.739 -5.008 38 2HE2 GLN 5 2HE2 GLN 5 -16.903 -0.857 -6.491 39 H GLU 6 H GLU 6 -14.256 6.344 -4.495 40 HA GLU 6 HA GLU 6 -12.631 6.261 -6.609 41 1HB GLU 6 1HB GLU 6 -12.849 7.899 -4.293 42 2HB GLU 6 2HB GLU 6 -11.113 7.608 -4.560 43 1HG GLU 6 1HG GLU 6 -11.117 8.635 -6.635 44 2HG GLU 6 2HG GLU 6 -12.824 8.248 -6.942 45 H THR 7 H THR 7 -11.278 5.598 -3.322 46 HA THR 7 HA THR 7 -9.055 4.148 -4.626 47 HB THR 7 HB THR 7 -8.993 4.278 -1.714 48 HG1 THR 7 1HG THR 7 -9.849 6.185 -1.561 49 1HG2 THR 7 1HG2 THR 7 -6.789 4.959 -2.118 50 2HG2 THR 7 2HG2 THR 7 -7.158 4.033 -3.593 51 3HG2 THR 7 3HG2 THR 7 -7.222 5.812 -3.619 52 H PHE 8 H PHE 8 -10.329 3.444 -1.397 53 HA PHE 8 HA PHE 8 -10.242 1.028 -0.822 54 1HB PHE 8 1HB PHE 8 -13.093 1.526 -1.589 55 2HB PHE 8 2HB PHE 8 -12.422 0.867 -0.088 56 HD1 PHE 8 1HD PHE 8 -11.875 4.077 -1.973 57 HD2 PHE 8 2HD PHE 8 -13.007 2.190 1.716 58 HE1 PHE 8 1HE PHE 8 -12.086 6.302 -0.899 59 HE2 PHE 8 2HE PHE 8 -13.218 4.415 2.790 60 HZ PHE 8 HZ PHE 8 -12.757 6.472 1.482 61 H SER 9 H SER 9 -12.515 1.583 -3.577 62 HA SER 9 HA SER 9 -12.953 -0.880 -4.524 63 1HB SER 9 1HB SER 9 -13.456 1.403 -5.606 64 2HB SER 9 2HB SER 9 -11.877 1.233 -6.410 65 HG SER 9 HG SER 9 -14.126 0.218 -7.199 66 H ASP 10 H ASP 10 -9.954 0.927 -5.422 67 HA ASP 10 HA ASP 10 -8.692 -1.707 -5.993 68 1HB ASP 10 1HB ASP 10 -8.401 1.068 -7.098 69 2HB ASP 10 2HB ASP 10 -6.978 0.004 -7.092 70 H LEU 11 H LEU 11 -8.734 1.039 -3.874 71 HA LEU 11 HA LEU 11 -6.013 0.964 -3.000 72 1HB LEU 11 1HB LEU 11 -7.862 2.764 -2.653 73 2HB LEU 11 2HB LEU 11 -8.355 1.766 -1.264 74 HG LEU 11 HG LEU 11 -5.803 3.303 -1.710 75 1HD1 LEU 11 1HD1 LEU 11 -6.517 3.055 1.016 76 2HD1 LEU 11 2HD1 LEU 11 -6.777 4.465 -0.039 77 3HD1 LEU 11 3HD1 LEU 11 -8.053 3.236 0.135 78 1HD2 LEU 11 1HD2 LEU 11 -4.769 1.916 0.131 79 2HD2 LEU 11 2HD2 LEU 11 -6.109 0.760 -0.060 80 3HD2 LEU 11 3HD2 LEU 11 -4.977 1.039 -1.405 81 H TRP 12 H TRP 12 -8.994 -0.199 -1.315 82 HA TRP 12 HA TRP 12 -7.752 -1.604 0.725 83 1HB TRP 12 1HB TRP 12 -9.867 -2.114 1.193 84 2HB TRP 12 2HB TRP 12 -10.331 -1.309 -0.313 85 HD1 TRP 12 HD TRP 12 -11.718 -2.716 -1.863 86 HE1 TRP 12 1HE TRP 12 -12.147 -5.191 -2.283 87 HE3 TRP 12 3HE TRP 12 -8.379 -4.691 1.476 88 HZ2 TRP 12 2HZ TRP 12 -11.167 -7.728 -1.294 89 HZ3 TRP 12 3HZ TRP 12 -8.156 -7.137 1.708 90 HH2 TRP 12 HH TRP 12 -9.539 -8.666 0.335 91 H LYS 13 H LYS 13 -8.139 -2.488 -2.684 92 HA LYS 13 HA LYS 13 -7.259 -5.233 -2.250 93 1HB LYS 13 1HB LYS 13 -8.357 -3.602 -4.416 94 2HB LYS 13 2HB LYS 13 -7.006 -4.622 -4.966 95 1HG LYS 13 1HG LYS 13 -8.947 -5.944 -3.137 96 2HG LYS 13 2HG LYS 13 -9.582 -5.507 -4.741 97 1HD LYS 13 1HD LYS 13 -7.160 -6.550 -5.441 98 2HD LYS 13 2HD LYS 13 -7.515 -7.514 -3.987 99 1HE LYS 13 1HE LYS 13 -8.821 -8.798 -5.305 100 2HE LYS 13 2HE LYS 13 -9.954 -7.430 -5.346 101 1HZ LYS 13 1HZ LYS 13 -7.788 -7.218 -7.184 102 2HZ LYS 13 2HZ LYS 13 -8.777 -8.507 -7.472 103 3HZ LYS 13 3HZ LYS 13 -9.404 -6.983 -7.417 104 H LEU 14 H LEU 14 -5.852 -2.101 -3.113 105 HA LEU 14 HA LEU 14 -3.386 -3.055 -4.157 106 1HB LEU 14 1HB LEU 14 -4.620 -0.584 -3.687 107 2HB LEU 14 2HB LEU 14 -3.170 -0.560 -2.655 108 HG LEU 14 HG LEU 14 -2.475 0.270 -4.795 109 1HD1 LEU 14 1HD1 LEU 14 -1.025 -1.491 -3.707 110 2HD1 LEU 14 2HD1 LEU 14 -1.790 -2.697 -4.770 111 3HD1 LEU 14 3HD1 LEU 14 -0.826 -1.376 -5.472 112 1HD2 LEU 14 1HD2 LEU 14 -4.232 -0.328 -6.260 113 2HD2 LEU 14 2HD2 LEU 14 -2.857 -1.297 -6.841 114 3HD2 LEU 14 3HD2 LEU 14 -4.118 -2.053 -5.838 115 H LEU 15 H LEU 15 -4.492 -2.294 -0.837 116 HA LEU 15 HA LEU 15 -1.883 -2.827 0.320 117 1HB LEU 15 1HB LEU 15 -4.521 -2.795 1.803 118 2HB LEU 15 2HB LEU 15 -2.909 -2.303 2.376 119 HG LEU 15 HG LEU 15 -3.961 -0.855 -0.013 120 1HD1 LEU 15 1HD1 LEU 15 -6.004 -0.903 1.260 121 2HD1 LEU 15 2HD1 LEU 15 -5.134 -0.600 2.783 122 3HD1 LEU 15 3HD1 LEU 15 -5.254 0.684 1.555 123 1HD2 LEU 15 1HD2 LEU 15 -1.774 -0.365 1.084 124 2HD2 LEU 15 2HD2 LEU 15 -2.879 1.029 1.134 125 3HD2 LEU 15 3HD2 LEU 15 -2.640 0.030 2.588 126 H LYS 16 H LYS 16 -4.101 -4.809 -1.136 127 HA LYS 16 HA LYS 16 -4.039 -6.982 0.822 128 1HB LYS 16 1HB LYS 16 -5.735 -6.242 -1.247 129 2HB LYS 16 2HB LYS 16 -4.853 -7.631 -1.927 130 1HG LYS 16 1HG LYS 16 -5.334 -8.669 0.484 131 2HG LYS 16 2HG LYS 16 -6.678 -7.501 0.461 132 1HD LYS 16 1HD LYS 16 -7.848 -8.899 -0.862 133 2HD LYS 16 2HD LYS 16 -6.586 -8.754 -2.109 134 1HE LYS 16 1HE LYS 16 -6.459 -11.024 -1.735 135 2HE LYS 16 2HE LYS 16 -5.323 -10.471 -0.485 136 1HZ LYS 16 1HZ LYS 16 -6.683 -11.800 0.693 137 2HZ LYS 16 2HZ LYS 16 -7.477 -10.370 0.900 138 3HZ LYS 16 3HZ LYS 16 -8.029 -11.468 -0.200 139 H LYS 17 H LYS 17 -1.596 -5.711 -0.724 140 HA LYS 17 HA LYS 17 -0.160 -8.216 -0.936 141 1HB LYS 17 1HB LYS 17 -0.346 -8.591 -3.139 142 2HB LYS 17 2HB LYS 17 -1.466 -7.215 -3.277 143 1HG LYS 17 1HG LYS 17 1.567 -6.942 -3.259 144 2HG LYS 17 2HG LYS 17 0.587 -7.026 -4.742 145 1HD LYS 17 1HD LYS 17 -0.617 -5.098 -2.988 146 2HD LYS 17 2HD LYS 17 1.123 -4.741 -3.089 147 1HE LYS 17 1HE LYS 17 0.149 -3.569 -4.914 148 2HE LYS 17 2HE LYS 17 0.873 -5.024 -5.631 149 1HZ LYS 17 1HZ LYS 17 -1.096 -5.464 -6.427 150 2HZ LYS 17 2HZ LYS 17 -1.670 -5.694 -4.899 151 3HZ LYS 17 3HZ LYS 17 -1.800 -4.214 -5.615 152 H TRP 18 H TRP 18 -0.373 -4.702 -1.467 153 HA TRP 18 HA TRP 18 2.507 -4.342 -1.464 154 1HB TRP 18 1HB TRP 18 0.565 -2.888 -2.481 155 2HB TRP 18 2HB TRP 18 0.510 -2.179 -0.861 156 HD1 TRP 18 HD TRP 18 3.180 -2.846 -3.587 157 HE1 TRP 18 1HE TRP 18 4.811 -0.891 -3.660 158 HE3 TRP 18 3HE TRP 18 1.264 -0.053 0.251 159 HZ2 TRP 18 2HZ TRP 18 5.241 1.589 -2.231 160 HZ3 TRP 18 3HZ TRP 18 2.310 2.096 0.865 161 HH2 TRP 18 HH TRP 18 4.294 2.929 -0.363 162 H LYS 19 H LYS 19 -0.111 -4.391 0.907 163 HA LYS 19 HA LYS 19 0.820 -2.992 3.044 164 1HB LYS 19 1HB LYS 19 -1.172 -4.186 3.372 165 2HB LYS 19 2HB LYS 19 -0.452 -5.725 2.842 166 1HG LYS 19 1HG LYS 19 0.556 -6.116 4.882 167 2HG LYS 19 2HG LYS 19 0.765 -4.383 5.231 168 1HD LYS 19 1HD LYS 19 -1.268 -4.222 6.245 169 2HD LYS 19 2HD LYS 19 -2.059 -5.257 5.033 170 1HE LYS 19 1HE LYS 19 -0.479 -7.096 6.255 171 2HE LYS 19 2HE LYS 19 -0.754 -5.985 7.614 172 1HZ LYS 19 1HZ LYS 19 -2.762 -7.402 6.023 173 2HZ LYS 19 2HZ LYS 19 -2.459 -7.543 7.638 174 3HZ LYS 19 3HZ LYS 19 -3.141 -6.164 7.045 175 H MET 20 H MET 20 2.172 -6.023 1.756 176 HA MET 20 HA MET 20 3.904 -6.639 3.901 177 1HB MET 20 1HB MET 20 4.047 -8.382 2.476 178 2HB MET 20 2HB MET 20 3.540 -7.389 1.089 179 1HG MET 20 1HG MET 20 6.119 -6.480 1.812 180 2HG MET 20 2HG MET 20 6.198 -8.249 1.866 181 1HE MET 20 1HE MET 20 4.275 -6.275 -1.774 182 2HE MET 20 2HE MET 20 3.884 -6.056 -0.052 183 3HE MET 20 3HE MET 20 5.235 -5.153 -0.780 184 H ARG 21 H ARG 21 4.378 -4.585 0.991 185 HA ARG 21 HA ARG 21 7.039 -3.792 1.958 186 1HB ARG 21 1HB ARG 21 5.403 -3.305 -0.539 187 2HB ARG 21 2HB ARG 21 6.857 -2.339 -0.190 188 1HG ARG 21 1HG ARG 21 8.285 -4.167 -0.384 189 2HG ARG 21 2HG ARG 21 7.013 -5.338 0.041 190 1HD ARG 21 1HD ARG 21 5.941 -4.346 -2.229 191 2HD ARG 21 2HD ARG 21 7.659 -4.078 -2.594 192 HE ARG 21 HE ARG 21 7.668 -6.656 -1.736 193 1HH1 ARG 21 2HH2 ARG 21 5.650 -4.893 -4.042 194 2HH1 ARG 21 1HH2 ARG 21 5.343 -6.289 -5.051 195 1HH2 ARG 21 2HH1 ARG 21 7.263 -8.501 -3.069 196 2HH2 ARG 21 1HH1 ARG 21 6.264 -8.346 -4.496 197 H ARG 22 H ARG 22 3.737 -2.507 1.606 198 HA ARG 22 HA ARG 22 4.367 0.209 2.198 199 1HB ARG 22 1HB ARG 22 2.134 0.496 1.949 200 2HB ARG 22 2HB ARG 22 2.127 -1.208 1.435 201 1HG ARG 22 1HG ARG 22 0.587 -1.380 3.136 202 2HG ARG 22 2HG ARG 22 2.061 -1.564 4.117 203 1HD ARG 22 1HD ARG 22 1.779 1.197 3.891 204 2HD ARG 22 2HD ARG 22 0.103 0.631 4.053 205 HE ARG 22 HE ARG 22 1.995 -0.522 5.973 206 1HH1 ARG 22 2HH2 ARG 22 -0.316 2.051 5.235 207 2HH1 ARG 22 1HH2 ARG 22 -0.621 2.444 6.912 208 1HH2 ARG 22 2HH1 ARG 22 1.592 -0.002 8.188 209 2HH2 ARG 22 1HH1 ARG 22 0.467 1.274 8.596 210 H ASN 23 H ASN 23 5.297 -2.223 4.011 211 HA ASN 23 HA ASN 23 4.826 -0.731 6.530 212 1HB ASN 23 1HB ASN 23 3.401 -2.991 5.974 213 2HB ASN 23 2HB ASN 23 4.841 -3.690 6.746 214 1HD2 ASN 23 1HD2 ASN 23 2.849 -4.229 8.256 215 2HD2 ASN 23 2HD2 ASN 23 2.616 -3.109 9.581 216 H GLN 24 H GLN 24 7.019 -1.446 4.373 217 HA GLN 24 HA GLN 24 9.185 -1.516 6.282 218 1HB GLN 24 1HB GLN 24 8.501 -3.986 4.663 219 2HB GLN 24 2HB GLN 24 10.153 -3.662 5.239 220 1HG GLN 24 1HG GLN 24 8.882 -3.232 7.545 221 2HG GLN 24 2HG GLN 24 7.664 -4.291 6.802 222 1HE2 GLN 24 1HE2 GLN 24 7.992 -6.069 8.157 223 2HE2 GLN 24 2HE2 GLN 24 9.468 -7.010 8.146 224 H PHE 25 H PHE 25 9.674 -3.152 3.248 225 HA PHE 25 HA PHE 25 11.630 -1.596 2.215 226 1HB PHE 25 1HB PHE 25 11.047 -3.517 1.010 227 2HB PHE 25 2HB PHE 25 9.344 -3.044 0.889 228 HD1 PHE 25 1HD PHE 25 9.009 -0.674 -0.383 229 HD2 PHE 25 2HD PHE 25 12.305 -3.376 -0.920 230 HE1 PHE 25 1HE PHE 25 9.435 0.292 -2.627 231 HE2 PHE 25 2HE PHE 25 12.732 -2.409 -3.164 232 HZ PHE 25 HZ PHE 25 11.297 -0.576 -4.018 233 H TRP 26 H TRP 26 8.120 -0.899 2.021 234 HA TRP 26 HA TRP 26 8.060 1.235 0.292 235 1HB TRP 26 1HB TRP 26 6.065 1.836 1.299 236 2HB TRP 26 2HB TRP 26 6.224 0.136 1.760 237 HD1 TRP 26 HD TRP 26 6.290 -0.433 4.261 238 HE1 TRP 26 1HE TRP 26 6.109 0.880 6.436 239 HE3 TRP 26 3HE TRP 26 6.755 4.306 2.384 240 HZ2 TRP 26 2HZ TRP 26 6.157 3.650 7.271 241 HZ3 TRP 26 3HZ TRP 26 6.682 6.253 3.898 242 HH2 TRP 26 HH TRP 26 6.385 5.944 6.337 243 H VAL 27 H VAL 27 9.107 1.256 3.721 244 HA VAL 27 HA VAL 27 9.404 3.904 4.270 245 HB VAL 27 HB VAL 27 11.282 3.300 5.684 246 1HG1 VAL 27 1HG1 VAL 27 9.736 2.242 6.939 247 2HG1 VAL 27 2HG1 VAL 27 8.834 1.758 5.483 248 3HG1 VAL 27 3HG1 VAL 27 10.149 0.728 6.098 249 1HG2 VAL 27 1HG2 VAL 27 12.113 0.823 5.370 250 2HG2 VAL 27 2HG2 VAL 27 11.506 1.022 3.709 251 3HG2 VAL 27 3HG2 VAL 27 12.778 2.103 4.328 252 H LYS 28 H LYS 28 11.549 1.939 2.172 253 HA LYS 28 HA LYS 28 13.420 4.042 1.667 254 1HB LYS 28 1HB LYS 28 12.720 1.397 0.407 255 2HB LYS 28 2HB LYS 28 13.813 2.514 -0.445 256 1HG LYS 28 1HG LYS 28 14.768 2.582 2.164 257 2HG LYS 28 2HG LYS 28 14.291 0.879 1.961 258 1HD LYS 28 1HD LYS 28 15.666 0.658 -0.019 259 2HD LYS 28 2HD LYS 28 15.998 2.406 -0.045 260 1HE LYS 28 1HE LYS 28 17.588 2.255 1.576 261 2HE LYS 28 2HE LYS 28 16.656 1.066 2.513 262 1HZ LYS 28 1HZ LYS 28 18.356 0.568 0.180 263 2HZ LYS 28 2HZ LYS 28 18.559 0.012 1.719 264 3HZ LYS 28 3HZ LYS 28 17.317 -0.556 0.794 265 H VAL 29 H VAL 29 10.386 2.986 0.117 266 HA VAL 29 HA VAL 29 10.454 4.324 -2.286 267 HB VAL 29 HB VAL 29 8.169 4.076 -0.292 268 1HG1 VAL 29 1HG1 VAL 29 7.227 5.625 -1.699 269 2HG1 VAL 29 2HG1 VAL 29 8.374 5.280 -3.016 270 3HG1 VAL 29 3HG1 VAL 29 6.988 4.198 -2.736 271 1HG2 VAL 29 1HG2 VAL 29 9.336 1.989 -1.217 272 2HG2 VAL 29 2HG2 VAL 29 7.586 2.104 -1.524 273 3HG2 VAL 29 3HG2 VAL 29 8.744 2.488 -2.820 274 H GLN 30 H GLN 30 10.656 5.692 0.881 275 HA GLN 30 HA GLN 30 9.852 8.368 -0.092 276 1HB GLN 30 1HB GLN 30 9.430 8.876 2.091 277 2HB GLN 30 2HB GLN 30 9.353 7.106 2.264 278 1HG GLN 30 1HG GLN 30 11.844 7.145 2.745 279 2HG GLN 30 2HG GLN 30 11.737 8.918 2.801 280 1HE2 GLN 30 1HE2 GLN 30 12.622 7.492 5.027 281 2HE2 GLN 30 2HE2 GLN 30 11.416 7.579 6.293 282 H ARG 31 H ARG 31 12.643 6.544 1.208 283 HA ARG 31 HA ARG 31 14.821 7.338 1.589 284 1HB ARG 31 1HB ARG 31 14.954 6.219 -0.522 285 2HB ARG 31 2HB ARG 31 14.216 7.596 -1.376 286 1HG ARG 31 1HG ARG 31 16.225 8.591 -1.622 287 2HG ARG 31 2HG ARG 31 16.546 8.472 0.124 288 1HD ARG 31 1HD ARG 31 17.170 6.044 -0.253 289 2HD ARG 31 2HD ARG 31 17.061 6.355 -1.999 290 HE ARG 31 HE ARG 31 19.161 7.253 -0.163 291 1HH1 ARG 31 2HH2 ARG 31 17.562 7.651 -3.291 292 2HH1 ARG 31 1HH2 ARG 31 18.938 8.422 -4.050 293 1HH2 ARG 31 2HH1 ARG 31 20.977 8.271 -1.165 294 2HH2 ARG 31 1HH1 ARG 31 20.884 8.775 -2.837 295 H GLY 32 H GLY 32 14.503 9.510 -1.150 296 1HA GLY 32 1HA GLY 32 13.898 11.894 0.321 297 2HA GLY 32 2HA GLY 32 15.656 11.710 0.129 Start of MODEL 27 1 HA PRO 1 HA PRO 1 -21.852 9.679 -0.690 2 1HB PRO 1 1HB PRO 1 -21.022 8.144 1.402 3 2HB PRO 1 2HB PRO 1 -21.322 9.904 1.581 4 1HG PRO 1 1HG PRO 1 -23.234 7.639 2.220 5 2HG PRO 1 2HG PRO 1 -22.755 8.995 3.293 6 1HD PRO 1 1HD PRO 1 -25.041 9.094 1.811 7 2HD PRO 1 2HD PRO 1 -24.019 10.551 2.000 8 HA PRO 2 HA PRO 2 -22.373 5.775 -2.675 9 1HB PRO 2 1HB PRO 2 -19.797 5.194 -3.349 10 2HB PRO 2 2HB PRO 2 -20.668 6.594 -4.058 11 1HG PRO 2 1HG PRO 2 -18.788 6.611 -1.679 12 2HG PRO 2 2HG PRO 2 -18.714 7.660 -3.132 13 1HD PRO 2 1HD PRO 2 -19.924 8.494 -0.836 14 2HD PRO 2 2HD PRO 2 -20.640 8.879 -2.430 15 H LEU 3 H LEU 3 -21.261 6.207 0.402 16 HA LEU 3 HA LEU 3 -20.586 4.822 2.110 17 1HB LEU 3 1HB LEU 3 -22.923 3.858 0.889 18 2HB LEU 3 2HB LEU 3 -21.903 2.417 1.116 19 HG LEU 3 HG LEU 3 -21.500 3.625 3.507 20 1HD1 LEU 3 1HD1 LEU 3 -24.164 4.582 2.433 21 2HD1 LEU 3 2HD1 LEU 3 -23.924 4.333 4.179 22 3HD1 LEU 3 3HD1 LEU 3 -22.911 5.503 3.300 23 1HD2 LEU 3 1HD2 LEU 3 -22.539 1.306 2.729 24 2HD2 LEU 3 2HD2 LEU 3 -22.796 1.902 4.387 25 3HD2 LEU 3 3HD2 LEU 3 -24.073 2.098 3.162 26 H SER 4 H SER 4 -18.371 4.963 1.010 27 HA SER 4 HA SER 4 -16.415 3.936 0.411 28 1HB SER 4 1HB SER 4 -16.043 1.691 1.260 29 2HB SER 4 2HB SER 4 -17.001 2.601 2.452 30 HG SER 4 HG SER 4 -18.502 1.313 0.552 31 H GLN 5 H GLN 5 -15.886 3.779 -1.680 32 HA GLN 5 HA GLN 5 -16.296 1.548 -3.282 33 1HB GLN 5 1HB GLN 5 -18.700 3.126 -3.030 34 2HB GLN 5 2HB GLN 5 -18.106 3.215 -4.705 35 1HG GLN 5 1HG GLN 5 -17.814 0.662 -4.564 36 2HG GLN 5 2HG GLN 5 -18.785 0.744 -3.078 37 1HE2 GLN 5 1HE2 GLN 5 -20.999 1.045 -3.196 38 2HE2 GLN 5 2HE2 GLN 5 -21.880 1.148 -4.705 39 H GLU 6 H GLU 6 -16.678 5.126 -3.633 40 HA GLU 6 HA GLU 6 -15.518 5.636 -6.007 41 1HB GLU 6 1HB GLU 6 -15.814 7.027 -3.521 42 2HB GLU 6 2HB GLU 6 -14.183 7.362 -4.149 43 1HG GLU 6 1HG GLU 6 -16.510 7.438 -6.053 44 2HG GLU 6 2HG GLU 6 -16.279 8.802 -4.938 45 H THR 7 H THR 7 -13.345 5.816 -3.150 46 HA THR 7 HA THR 7 -11.082 5.080 -4.828 47 HB THR 7 HB THR 7 -11.064 5.319 -1.813 48 HG1 THR 7 1HG THR 7 -11.673 7.298 -2.029 49 1HG2 THR 7 1HG2 THR 7 -9.116 4.874 -3.770 50 2HG2 THR 7 2HG2 THR 7 -8.981 6.615 -3.425 51 3HG2 THR 7 3HG2 THR 7 -8.822 5.431 -2.105 52 H PHE 8 H PHE 8 -11.363 3.822 -1.550 53 HA PHE 8 HA PHE 8 -10.510 1.607 -1.105 54 1HB PHE 8 1HB PHE 8 -13.378 1.102 -1.891 55 2HB PHE 8 2HB PHE 8 -12.466 0.446 -0.521 56 HD1 PHE 8 1HD PHE 8 -13.010 3.960 -1.741 57 HD2 PHE 8 2HD PHE 8 -13.482 1.124 1.450 58 HE1 PHE 8 1HE PHE 8 -13.912 5.751 -0.282 59 HE2 PHE 8 2HE PHE 8 -14.384 2.915 2.909 60 HZ PHE 8 HZ PHE 8 -14.599 5.229 2.043 61 H SER 9 H SER 9 -12.603 1.658 -4.043 62 HA SER 9 HA SER 9 -11.682 -0.889 -4.985 63 1HB SER 9 1HB SER 9 -13.788 0.654 -5.583 64 2HB SER 9 2HB SER 9 -12.694 1.201 -6.877 65 HG SER 9 HG SER 9 -14.135 -0.902 -6.965 66 H ASP 10 H ASP 10 -9.349 0.169 -4.280 67 HA ASP 10 HA ASP 10 -7.589 -0.112 -6.276 68 1HB ASP 10 1HB ASP 10 -8.434 1.405 -7.816 69 2HB ASP 10 2HB ASP 10 -8.961 2.548 -6.562 70 H LEU 11 H LEU 11 -8.617 2.069 -3.675 71 HA LEU 11 HA LEU 11 -5.872 2.741 -2.942 72 1HB LEU 11 1HB LEU 11 -8.423 3.835 -2.505 73 2HB LEU 11 2HB LEU 11 -7.897 3.249 -0.908 74 HG LEU 11 HG LEU 11 -5.605 4.381 -1.573 75 1HD1 LEU 11 1HD1 LEU 11 -7.063 6.514 -2.907 76 2HD1 LEU 11 2HD1 LEU 11 -5.595 5.657 -3.433 77 3HD1 LEU 11 3HD1 LEU 11 -7.200 4.997 -3.829 78 1HD2 LEU 11 1HD2 LEU 11 -7.184 6.661 -0.994 79 2HD2 LEU 11 2HD2 LEU 11 -8.030 5.283 -0.251 80 3HD2 LEU 11 3HD2 LEU 11 -6.333 5.616 0.168 81 H TRP 12 H TRP 12 -8.522 1.353 -0.934 82 HA TRP 12 HA TRP 12 -6.888 0.168 0.976 83 1HB TRP 12 1HB TRP 12 -8.877 -0.404 1.793 84 2HB TRP 12 2HB TRP 12 -9.614 0.236 0.318 85 HD1 TRP 12 HD TRP 12 -11.157 -1.381 -0.818 86 HE1 TRP 12 1HE TRP 12 -11.442 -3.906 -1.000 87 HE3 TRP 12 3HE TRP 12 -7.106 -2.852 1.943 88 HZ2 TRP 12 2HZ TRP 12 -10.083 -6.284 -0.064 89 HZ3 TRP 12 3HZ TRP 12 -6.634 -5.251 2.275 90 HH2 TRP 12 HH TRP 12 -8.109 -6.975 1.281 91 H LYS 13 H LYS 13 -7.915 -1.081 -2.209 92 HA LYS 13 HA LYS 13 -6.878 -3.718 -1.845 93 1HB LYS 13 1HB LYS 13 -8.406 -2.444 -3.729 94 2HB LYS 13 2HB LYS 13 -6.848 -2.578 -4.580 95 1HG LYS 13 1HG LYS 13 -6.907 -5.055 -3.625 96 2HG LYS 13 2HG LYS 13 -8.659 -4.752 -3.546 97 1HD LYS 13 1HD LYS 13 -8.413 -3.902 -5.990 98 2HD LYS 13 2HD LYS 13 -6.839 -4.732 -5.970 99 1HE LYS 13 1HE LYS 13 -9.371 -6.140 -5.088 100 2HE LYS 13 2HE LYS 13 -8.916 -6.058 -6.804 101 1HZ LYS 13 1HZ LYS 13 -7.667 -7.489 -4.635 102 2HZ LYS 13 2HZ LYS 13 -7.860 -7.918 -6.216 103 3HZ LYS 13 3HZ LYS 13 -6.667 -6.863 -5.788 104 H LEU 14 H LEU 14 -5.469 -0.630 -2.895 105 HA LEU 14 HA LEU 14 -3.072 -1.624 -4.015 106 1HB LEU 14 1HB LEU 14 -4.202 0.910 -3.203 107 2HB LEU 14 2HB LEU 14 -2.506 0.812 -2.674 108 HG LEU 14 HG LEU 14 -3.115 1.638 -5.127 109 1HD1 LEU 14 1HD1 LEU 14 -0.848 0.743 -3.870 110 2HD1 LEU 14 2HD1 LEU 14 -0.962 -0.406 -5.224 111 3HD1 LEU 14 3HD1 LEU 14 -0.890 1.343 -5.545 112 1HD2 LEU 14 1HD2 LEU 14 -2.631 -1.167 -5.937 113 2HD2 LEU 14 2HD2 LEU 14 -4.233 -0.885 -5.213 114 3HD2 LEU 14 3HD2 LEU 14 -3.724 0.051 -6.640 115 H LEU 15 H LEU 15 -3.867 -0.638 -0.644 116 HA LEU 15 HA LEU 15 -1.252 -1.333 0.356 117 1HB LEU 15 1HB LEU 15 -3.841 -0.346 1.409 118 2HB LEU 15 2HB LEU 15 -2.900 -1.343 2.544 119 HG LEU 15 HG LEU 15 -0.880 0.103 1.946 120 1HD1 LEU 15 1HD1 LEU 15 -1.069 1.735 0.396 121 2HD1 LEU 15 2HD1 LEU 15 -2.662 1.055 -0.015 122 3HD1 LEU 15 3HD1 LEU 15 -2.538 2.378 1.170 123 1HD2 LEU 15 1HD2 LEU 15 -2.436 2.179 3.088 124 2HD2 LEU 15 2HD2 LEU 15 -3.177 0.656 3.636 125 3HD2 LEU 15 3HD2 LEU 15 -1.453 0.969 3.948 126 H LYS 16 H LYS 16 -3.800 -3.201 -0.793 127 HA LYS 16 HA LYS 16 -3.586 -5.354 1.167 128 1HB LYS 16 1HB LYS 16 -5.629 -4.640 -0.316 129 2HB LYS 16 2HB LYS 16 -4.825 -5.613 -1.571 130 1HG LYS 16 1HG LYS 16 -4.640 -7.424 0.326 131 2HG LYS 16 2HG LYS 16 -5.942 -6.488 1.099 132 1HD LYS 16 1HD LYS 16 -7.290 -7.822 -0.184 133 2HD LYS 16 2HD LYS 16 -6.897 -6.636 -1.452 134 1HE LYS 16 1HE LYS 16 -6.264 -8.533 -2.579 135 2HE LYS 16 2HE LYS 16 -4.747 -8.244 -1.700 136 1HZ LYS 16 1HZ LYS 16 -6.683 -9.751 -0.251 137 2HZ LYS 16 2HZ LYS 16 -6.150 -10.497 -1.622 138 3HZ LYS 16 3HZ LYS 16 -5.071 -10.024 -0.468 139 H LYS 17 H LYS 17 -1.257 -4.273 -0.612 140 HA LYS 17 HA LYS 17 0.042 -6.800 -0.928 141 1HB LYS 17 1HB LYS 17 -0.551 -7.386 -3.010 142 2HB LYS 17 2HB LYS 17 -1.615 -5.963 -3.120 143 1HG LYS 17 1HG LYS 17 1.376 -6.015 -3.708 144 2HG LYS 17 2HG LYS 17 0.074 -5.920 -4.917 145 1HD LYS 17 1HD LYS 17 -0.458 -3.871 -3.028 146 2HD LYS 17 2HD LYS 17 1.288 -3.789 -3.365 147 1HE LYS 17 1HE LYS 17 0.322 -2.439 -5.047 148 2HE LYS 17 2HE LYS 17 0.615 -3.993 -5.859 149 1HZ LYS 17 1HZ LYS 17 -1.547 -3.244 -6.359 150 2HZ LYS 17 2HZ LYS 17 -1.692 -4.549 -5.361 151 3HZ LYS 17 3HZ LYS 17 -1.932 -3.028 -4.770 152 H TRP 18 H TRP 18 -0.225 -3.339 -1.354 153 HA TRP 18 HA TRP 18 2.656 -3.086 -1.939 154 1HB TRP 18 1HB TRP 18 0.517 -1.704 -2.832 155 2HB TRP 18 2HB TRP 18 0.925 -0.721 -1.419 156 HD1 TRP 18 HD TRP 18 2.088 -1.597 -4.901 157 HE1 TRP 18 1HE TRP 18 4.018 -0.092 -5.605 158 HE3 TRP 18 3HE TRP 18 3.033 0.660 -0.405 159 HZ2 TRP 18 2HZ TRP 18 5.767 1.859 -4.375 160 HZ3 TRP 18 3HZ TRP 18 4.836 2.333 -0.211 161 HH2 TRP 18 HH TRP 18 6.209 2.942 -2.181 162 H LYS 19 H LYS 19 0.285 -2.657 0.658 163 HA LYS 19 HA LYS 19 1.779 -1.063 2.420 164 1HB LYS 19 1HB LYS 19 -0.638 -1.862 2.618 165 2HB LYS 19 2HB LYS 19 0.018 -3.396 3.239 166 1HG LYS 19 1HG LYS 19 1.413 -1.699 4.797 167 2HG LYS 19 2HG LYS 19 -0.011 -0.676 4.496 168 1HD LYS 19 1HD LYS 19 -0.958 -1.830 6.212 169 2HD LYS 19 2HD LYS 19 -1.163 -3.134 5.017 170 1HE LYS 19 1HE LYS 19 1.396 -3.610 5.736 171 2HE LYS 19 2HE LYS 19 0.818 -2.865 7.242 172 1HZ LYS 19 1HZ LYS 19 -0.813 -4.485 7.444 173 2HZ LYS 19 2HZ LYS 19 -0.599 -5.053 5.910 174 3HZ LYS 19 3HZ LYS 19 0.562 -5.307 7.054 175 H MET 20 H MET 20 1.713 -4.649 2.069 176 HA MET 20 HA MET 20 3.284 -5.549 4.050 177 1HB MET 20 1HB MET 20 4.474 -6.942 2.132 178 2HB MET 20 2HB MET 20 2.746 -7.175 2.487 179 1HG MET 20 1HG MET 20 2.257 -6.596 0.384 180 2HG MET 20 2HG MET 20 2.909 -4.980 0.704 181 1HE MET 20 1HE MET 20 4.053 -3.978 -0.660 182 2HE MET 20 2HE MET 20 5.491 -4.462 -1.591 183 3HE MET 20 3HE MET 20 3.863 -4.788 -2.234 184 H ARG 21 H ARG 21 4.661 -4.086 1.050 185 HA ARG 21 HA ARG 21 7.312 -3.965 2.235 186 1HB ARG 21 1HB ARG 21 6.023 -3.171 -0.366 187 2HB ARG 21 2HB ARG 21 7.609 -2.485 0.062 188 1HG ARG 21 1HG ARG 21 8.435 -4.827 0.485 189 2HG ARG 21 2HG ARG 21 6.881 -5.437 -0.134 190 1HD ARG 21 1HD ARG 21 8.912 -5.225 -1.777 191 2HD ARG 21 2HD ARG 21 7.305 -4.688 -2.312 192 HE ARG 21 HE ARG 21 9.026 -2.641 -1.078 193 1HH1 ARG 21 2HH2 ARG 21 7.781 -4.180 -4.007 194 2HH1 ARG 21 1HH2 ARG 21 8.163 -2.825 -5.046 195 1HH2 ARG 21 2HH1 ARG 21 9.530 -0.851 -2.450 196 2HH2 ARG 21 1HH1 ARG 21 9.160 -0.927 -4.158 197 H ARG 22 H ARG 22 4.661 -1.670 1.483 198 HA ARG 22 HA ARG 22 6.051 0.688 2.241 199 1HB ARG 22 1HB ARG 22 3.898 0.547 0.940 200 2HB ARG 22 2HB ARG 22 3.070 0.124 2.458 201 1HG ARG 22 1HG ARG 22 4.643 2.383 3.078 202 2HG ARG 22 2HG ARG 22 3.924 2.737 1.489 203 1HD ARG 22 1HD ARG 22 2.475 3.451 3.403 204 2HD ARG 22 2HD ARG 22 1.692 2.264 2.338 205 HE ARG 22 HE ARG 22 2.918 0.756 4.328 206 1HH1 ARG 22 2HH2 ARG 22 0.538 3.365 4.159 207 2HH1 ARG 22 1HH2 ARG 22 -0.319 2.861 5.598 208 1HH2 ARG 22 2HH1 ARG 22 1.786 0.090 6.229 209 2HH2 ARG 22 1HH1 ARG 22 0.392 0.993 6.778 210 H ASN 23 H ASN 23 6.133 -1.772 4.108 211 HA ASN 23 HA ASN 23 5.755 -0.191 6.573 212 1HB ASN 23 1HB ASN 23 3.835 -2.024 5.767 213 2HB ASN 23 2HB ASN 23 4.865 -2.978 6.857 214 1HD2 ASN 23 1HD2 ASN 23 5.267 -2.139 9.044 215 2HD2 ASN 23 2HD2 ASN 23 4.064 -1.122 9.806 216 H GLN 24 H GLN 24 7.888 -1.539 4.704 217 HA GLN 24 HA GLN 24 9.688 -2.220 6.840 218 1HB GLN 24 1HB GLN 24 10.007 -4.613 5.699 219 2HB GLN 24 2HB GLN 24 8.846 -4.361 7.025 220 1HG GLN 24 1HG GLN 24 7.006 -4.431 5.614 221 2HG GLN 24 2HG GLN 24 7.930 -3.864 4.206 222 1HE2 GLN 24 1HE2 GLN 24 6.934 -5.631 2.997 223 2HE2 GLN 24 2HE2 GLN 24 7.580 -7.252 3.139 224 H PHE 25 H PHE 25 10.015 -4.082 3.929 225 HA PHE 25 HA PHE 25 12.446 -3.200 3.121 226 1HB PHE 25 1HB PHE 25 11.416 -4.980 1.948 227 2HB PHE 25 2HB PHE 25 10.022 -3.986 1.494 228 HD1 PHE 25 1HD PHE 25 10.780 -1.739 0.139 229 HD2 PHE 25 2HD PHE 25 12.902 -5.473 0.253 230 HE1 PHE 25 1HE PHE 25 11.877 -1.183 -2.015 231 HE2 PHE 25 2HE PHE 25 13.998 -4.916 -1.900 232 HZ PHE 25 HZ PHE 25 13.486 -2.771 -3.034 233 H TRP 26 H TRP 26 9.316 -1.607 2.370 234 HA TRP 26 HA TRP 26 10.056 0.344 0.607 235 1HB TRP 26 1HB TRP 26 8.203 1.522 1.312 236 2HB TRP 26 2HB TRP 26 7.838 -0.105 1.902 237 HD1 TRP 26 HD TRP 26 7.447 -0.408 4.414 238 HE1 TRP 26 1HE TRP 26 7.427 1.109 6.459 239 HE3 TRP 26 3HE TRP 26 9.489 3.794 2.322 240 HZ2 TRP 26 2HZ TRP 26 8.200 3.819 7.118 241 HZ3 TRP 26 3HZ TRP 26 9.831 5.820 3.687 242 HH2 TRP 26 HH TRP 26 9.193 5.850 6.081 243 H VAL 27 H VAL 27 10.673 0.327 4.140 244 HA VAL 27 HA VAL 27 11.653 2.830 4.602 245 HB VAL 27 HB VAL 27 13.085 1.841 6.295 246 1HG1 VAL 27 1HG1 VAL 27 11.218 -0.252 6.688 247 2HG1 VAL 27 2HG1 VAL 27 11.144 1.397 7.355 248 3HG1 VAL 27 3HG1 VAL 27 10.337 1.023 5.812 249 1HG2 VAL 27 1HG2 VAL 27 14.322 0.154 5.245 250 2HG2 VAL 27 2HG2 VAL 27 13.167 -0.795 6.212 251 3HG2 VAL 27 3HG2 VAL 27 12.885 -0.556 4.470 252 H LYS 28 H LYS 28 13.372 0.159 2.932 253 HA LYS 28 HA LYS 28 15.823 1.593 2.596 254 1HB LYS 28 1HB LYS 28 14.538 -0.823 1.318 255 2HB LYS 28 2HB LYS 28 16.056 -0.156 0.670 256 1HG LYS 28 1HG LYS 28 17.174 -1.256 2.290 257 2HG LYS 28 2HG LYS 28 16.356 -0.234 3.496 258 1HD LYS 28 1HD LYS 28 14.493 -1.809 3.631 259 2HD LYS 28 2HD LYS 28 15.192 -2.795 2.324 260 1HE LYS 28 1HE LYS 28 16.623 -2.210 4.943 261 2HE LYS 28 2HE LYS 28 15.631 -3.659 4.670 262 1HZ LYS 28 1HZ LYS 28 18.180 -2.927 3.499 263 2HZ LYS 28 2HZ LYS 28 17.667 -4.381 4.086 264 3HZ LYS 28 3HZ LYS 28 17.144 -3.855 2.612 265 H VAL 29 H VAL 29 12.825 1.316 0.685 266 HA VAL 29 HA VAL 29 13.587 2.375 -1.743 267 HB VAL 29 HB VAL 29 11.085 2.943 -0.107 268 1HG1 VAL 29 1HG1 VAL 29 11.880 3.570 -2.959 269 2HG1 VAL 29 2HG1 VAL 29 10.176 3.275 -2.538 270 3HG1 VAL 29 3HG1 VAL 29 11.064 4.612 -1.769 271 1HG2 VAL 29 1HG2 VAL 29 11.708 0.536 -0.711 272 2HG2 VAL 29 2HG2 VAL 29 10.130 1.098 -1.313 273 3HG2 VAL 29 3HG2 VAL 29 11.524 1.013 -2.416 274 H GLN 30 H GLN 30 13.780 3.879 1.356 275 HA GLN 30 HA GLN 30 13.900 6.587 0.162 276 1HB GLN 30 1HB GLN 30 13.369 7.380 2.240 277 2HB GLN 30 2HB GLN 30 12.723 5.734 2.448 278 1HG GLN 30 1HG GLN 30 14.088 6.042 4.350 279 2HG GLN 30 2HG GLN 30 15.117 5.116 3.236 280 1HE2 GLN 30 1HE2 GLN 30 16.661 6.221 4.952 281 2HE2 GLN 30 2HE2 GLN 30 17.367 7.735 4.427 282 H ARG 31 H ARG 31 15.849 4.140 1.883 283 HA ARG 31 HA ARG 31 18.088 4.338 2.590 284 1HB ARG 31 1HB ARG 31 18.139 3.067 0.545 285 2HB ARG 31 2HB ARG 31 18.025 4.544 -0.442 286 1HG ARG 31 1HG ARG 31 20.237 4.922 1.299 287 2HG ARG 31 2HG ARG 31 20.382 3.266 0.662 288 1HD ARG 31 1HD ARG 31 19.567 4.865 -1.525 289 2HD ARG 31 2HD ARG 31 20.823 5.802 -0.688 290 HE ARG 31 HE ARG 31 21.774 3.164 -0.883 291 1HH1 ARG 31 2HH2 ARG 31 20.821 5.816 -3.017 292 2HH1 ARG 31 1HH2 ARG 31 21.917 5.358 -4.301 293 1HH2 ARG 31 2HH1 ARG 31 23.222 2.559 -2.579 294 2HH2 ARG 31 1HH1 ARG 31 23.286 3.502 -4.051 295 H GLY 32 H GLY 32 18.749 6.297 -0.254 296 1HA GLY 32 1HA GLY 32 18.691 8.854 1.049 297 2HA GLY 32 2HA GLY 32 20.333 8.172 1.065 Start of MODEL 28 1 HA PRO 1 HA PRO 1 -18.304 -0.437 -0.058 2 1HB PRO 1 1HB PRO 1 -20.563 0.955 -0.674 3 2HB PRO 1 2HB PRO 1 -20.214 -0.649 -1.397 4 1HG PRO 1 1HG PRO 1 -21.941 -0.061 1.025 5 2HG PRO 1 2HG PRO 1 -22.387 -1.023 -0.421 6 1HD PRO 1 1HD PRO 1 -21.462 -2.214 1.849 7 2HD PRO 1 2HD PRO 1 -20.948 -2.806 0.240 8 HA PRO 2 HA PRO 2 -17.954 2.313 3.454 9 1HB PRO 2 1HB PRO 2 -15.893 3.814 2.492 10 2HB PRO 2 2HB PRO 2 -15.663 2.110 3.004 11 1HG PRO 2 1HG PRO 2 -16.156 3.135 0.193 12 2HG PRO 2 2HG PRO 2 -14.837 2.048 0.740 13 1HD PRO 2 1HD PRO 2 -17.129 1.062 -0.357 14 2HD PRO 2 2HD PRO 2 -16.362 0.238 1.034 15 H LEU 3 H LEU 3 -17.282 4.994 3.129 16 HA LEU 3 HA LEU 3 -19.770 6.022 1.977 17 1HB LEU 3 1HB LEU 3 -17.929 6.767 4.052 18 2HB LEU 3 2HB LEU 3 -18.038 8.107 2.885 19 HG LEU 3 HG LEU 3 -20.649 6.879 3.461 20 1HD1 LEU 3 1HD1 LEU 3 -20.290 6.614 5.699 21 2HD1 LEU 3 2HD1 LEU 3 -18.825 7.625 5.681 22 3HD1 LEU 3 3HD1 LEU 3 -20.432 8.388 5.746 23 1HD2 LEU 3 1HD2 LEU 3 -20.311 9.019 2.267 24 2HD2 LEU 3 2HD2 LEU 3 -21.250 9.265 3.759 25 3HD2 LEU 3 3HD2 LEU 3 -19.525 9.703 3.711 26 H SER 4 H SER 4 -17.046 5.042 0.557 27 HA SER 4 HA SER 4 -17.176 7.214 -1.466 28 1HB SER 4 1HB SER 4 -14.585 5.871 -0.638 29 2HB SER 4 2HB SER 4 -14.807 7.325 -1.641 30 HG SER 4 HG SER 4 -15.047 8.487 0.095 31 H GLN 5 H GLN 5 -14.901 5.759 -2.851 32 HA GLN 5 HA GLN 5 -15.456 3.099 -3.408 33 1HB GLN 5 1HB GLN 5 -17.584 4.804 -4.309 34 2HB GLN 5 2HB GLN 5 -16.736 4.157 -5.734 35 1HG GLN 5 1HG GLN 5 -16.952 1.873 -4.846 36 2HG GLN 5 2HG GLN 5 -17.747 2.500 -3.386 37 1HE2 GLN 5 1HE2 GLN 5 -19.892 2.170 -3.411 38 2HE2 GLN 5 2HE2 GLN 5 -20.925 2.275 -4.821 39 H GLU 6 H GLU 6 -14.913 6.290 -4.963 40 HA GLU 6 HA GLU 6 -13.540 5.783 -7.203 41 1HB GLU 6 1HB GLU 6 -12.708 7.608 -4.921 42 2HB GLU 6 2HB GLU 6 -11.949 7.643 -6.531 43 1HG GLU 6 1HG GLU 6 -14.939 7.716 -6.420 44 2HG GLU 6 2HG GLU 6 -14.073 9.178 -5.900 45 H THR 7 H THR 7 -11.584 6.053 -4.191 46 HA THR 7 HA THR 7 -9.600 4.245 -5.370 47 HB THR 7 HB THR 7 -9.168 5.033 -2.590 48 HG1 THR 7 1HG THR 7 -9.580 7.086 -2.737 49 1HG2 THR 7 1HG2 THR 7 -7.066 5.785 -3.495 50 2HG2 THR 7 2HG2 THR 7 -7.495 4.294 -4.365 51 3HG2 THR 7 3HG2 THR 7 -7.738 5.877 -5.140 52 H PHE 8 H PHE 8 -10.305 4.249 -1.915 53 HA PHE 8 HA PHE 8 -10.135 2.080 -0.796 54 1HB PHE 8 1HB PHE 8 -13.059 2.370 -1.457 55 2HB PHE 8 2HB PHE 8 -12.297 1.929 0.081 56 HD1 PHE 8 1HD PHE 8 -11.908 4.828 -2.288 57 HD2 PHE 8 2HD PHE 8 -12.733 3.504 1.714 58 HE1 PHE 8 1HE PHE 8 -12.055 7.187 -1.537 59 HE2 PHE 8 2HE PHE 8 -12.879 5.863 2.465 60 HZ PHE 8 HZ PHE 8 -12.541 7.705 0.839 61 H SER 9 H SER 9 -12.619 1.863 -3.414 62 HA SER 9 HA SER 9 -12.980 -0.779 -3.693 63 1HB SER 9 1HB SER 9 -13.788 1.053 -5.237 64 2HB SER 9 2HB SER 9 -12.213 0.967 -6.061 65 HG SER 9 HG SER 9 -14.155 -0.420 -6.751 66 H ASP 10 H ASP 10 -10.196 0.869 -5.307 67 HA ASP 10 HA ASP 10 -8.813 -1.764 -5.334 68 1HB ASP 10 1HB ASP 10 -8.517 0.766 -6.983 69 2HB ASP 10 2HB ASP 10 -7.331 -0.557 -7.022 70 H LEU 11 H LEU 11 -8.874 1.382 -3.888 71 HA LEU 11 HA LEU 11 -6.096 1.650 -3.272 72 1HB LEU 11 1HB LEU 11 -8.180 3.307 -3.109 73 2HB LEU 11 2HB LEU 11 -8.223 2.702 -1.436 74 HG LEU 11 HG LEU 11 -6.057 4.253 -2.854 75 1HD1 LEU 11 1HD1 LEU 11 -7.929 4.632 -0.692 76 2HD1 LEU 11 2HD1 LEU 11 -6.274 4.744 -0.048 77 3HD1 LEU 11 3HD1 LEU 11 -6.781 5.802 -1.387 78 1HD2 LEU 11 1HD2 LEU 11 -5.726 2.180 -0.669 79 2HD2 LEU 11 2HD2 LEU 11 -4.744 2.425 -2.133 80 3HD2 LEU 11 3HD2 LEU 11 -4.629 3.577 -0.781 81 H TRP 12 H TRP 12 -8.752 0.965 -0.931 82 HA TRP 12 HA TRP 12 -7.152 -0.029 1.108 83 1HB TRP 12 1HB TRP 12 -9.145 -0.235 2.072 84 2HB TRP 12 2HB TRP 12 -9.889 0.190 0.524 85 HD1 TRP 12 HD TRP 12 -11.622 -1.452 -0.243 86 HE1 TRP 12 1HE TRP 12 -12.143 -3.926 0.065 87 HE3 TRP 12 3HE TRP 12 -7.599 -2.772 2.634 88 HZ2 TRP 12 2HZ TRP 12 -10.964 -6.210 1.396 89 HZ3 TRP 12 3HZ TRP 12 -7.333 -5.102 3.401 90 HH2 TRP 12 HH TRP 12 -9.002 -6.829 2.793 91 H LYS 13 H LYS 13 -8.418 -1.703 -1.778 92 HA LYS 13 HA LYS 13 -7.580 -4.322 -0.951 93 1HB LYS 13 1HB LYS 13 -9.139 -3.265 -2.971 94 2HB LYS 13 2HB LYS 13 -7.682 -3.788 -3.849 95 1HG LYS 13 1HG LYS 13 -8.114 -5.899 -2.111 96 2HG LYS 13 2HG LYS 13 -9.773 -5.402 -2.522 97 1HD LYS 13 1HD LYS 13 -7.679 -5.705 -4.686 98 2HD LYS 13 2HD LYS 13 -8.554 -7.127 -4.070 99 1HE LYS 13 1HE LYS 13 -10.174 -6.586 -5.551 100 2HE LYS 13 2HE LYS 13 -10.577 -5.258 -4.441 101 1HZ LYS 13 1HZ LYS 13 -9.622 -3.773 -5.773 102 2HZ LYS 13 2HZ LYS 13 -8.437 -4.788 -6.306 103 3HZ LYS 13 3HZ LYS 13 -9.954 -4.885 -6.944 104 H LEU 14 H LEU 14 -6.050 -1.615 -2.665 105 HA LEU 14 HA LEU 14 -3.829 -3.012 -3.729 106 1HB LEU 14 1HB LEU 14 -4.686 -0.257 -3.306 107 2HB LEU 14 2HB LEU 14 -2.939 -0.445 -3.023 108 HG LEU 14 HG LEU 14 -3.707 0.028 -5.452 109 1HD1 LEU 14 1HD1 LEU 14 -1.467 -0.619 -5.231 110 2HD1 LEU 14 2HD1 LEU 14 -1.888 -2.199 -4.527 111 3HD1 LEU 14 3HD1 LEU 14 -2.116 -1.912 -6.269 112 1HD2 LEU 14 1HD2 LEU 14 -5.019 -2.551 -4.849 113 2HD2 LEU 14 2HD2 LEU 14 -5.373 -1.363 -6.127 114 3HD2 LEU 14 3HD2 LEU 14 -4.077 -2.560 -6.359 115 H LEU 15 H LEU 15 -4.314 -1.358 -0.573 116 HA LEU 15 HA LEU 15 -1.677 -1.909 0.394 117 1HB LEU 15 1HB LEU 15 -4.290 -0.977 1.531 118 2HB LEU 15 2HB LEU 15 -3.055 -1.582 2.661 119 HG LEU 15 HG LEU 15 -2.439 0.474 0.507 120 1HD1 LEU 15 1HD1 LEU 15 -2.535 1.539 3.206 121 2HD1 LEU 15 2HD1 LEU 15 -3.390 2.098 1.749 122 3HD1 LEU 15 3HD1 LEU 15 -4.110 0.832 2.772 123 1HD2 LEU 15 1HD2 LEU 15 -0.485 0.910 1.928 124 2HD2 LEU 15 2HD2 LEU 15 -1.069 -0.267 3.128 125 3HD2 LEU 15 3HD2 LEU 15 -0.556 -0.820 1.516 126 H LYS 16 H LYS 16 -4.342 -3.931 -0.234 127 HA LYS 16 HA LYS 16 -3.991 -5.781 1.958 128 1HB LYS 16 1HB LYS 16 -5.900 -5.330 -0.004 129 2HB LYS 16 2HB LYS 16 -5.136 -6.849 -0.532 130 1HG LYS 16 1HG LYS 16 -5.382 -7.621 1.920 131 2HG LYS 16 2HG LYS 16 -6.483 -6.237 2.120 132 1HD LYS 16 1HD LYS 16 -8.128 -7.548 1.298 133 2HD LYS 16 2HD LYS 16 -7.300 -7.472 -0.275 134 1HE LYS 16 1HE LYS 16 -7.050 -9.710 -0.099 135 2HE LYS 16 2HE LYS 16 -5.826 -9.364 1.143 136 1HZ LYS 16 1HZ LYS 16 -7.132 -10.258 2.624 137 2HZ LYS 16 2HZ LYS 16 -8.369 -9.229 2.262 138 3HZ LYS 16 3HZ LYS 16 -8.224 -10.660 1.455 139 H LYS 17 H LYS 17 -1.731 -4.903 -0.087 140 HA LYS 17 HA LYS 17 -0.336 -7.421 0.042 141 1HB LYS 17 1HB LYS 17 -1.183 -8.276 -1.881 142 2HB LYS 17 2HB LYS 17 -1.829 -6.704 -2.408 143 1HG LYS 17 1HG LYS 17 1.125 -7.447 -2.485 144 2HG LYS 17 2HG LYS 17 0.024 -7.593 -3.876 145 1HD LYS 17 1HD LYS 17 -0.428 -5.002 -2.886 146 2HD LYS 17 2HD LYS 17 1.336 -5.218 -2.787 147 1HE LYS 17 1HE LYS 17 0.568 -6.355 -5.257 148 2HE LYS 17 2HE LYS 17 -0.347 -4.838 -5.130 149 1HZ LYS 17 1HZ LYS 17 2.366 -4.599 -4.332 150 2HZ LYS 17 2HZ LYS 17 2.201 -5.062 -5.907 151 3HZ LYS 17 3HZ LYS 17 1.484 -3.675 -5.376 152 H TRP 18 H TRP 18 -0.665 -4.128 -1.271 153 HA TRP 18 HA TRP 18 2.164 -3.837 -1.810 154 1HB TRP 18 1HB TRP 18 -0.088 -2.545 -2.601 155 2HB TRP 18 2HB TRP 18 0.467 -1.451 -1.327 156 HD1 TRP 18 HD TRP 18 0.848 -2.097 -4.893 157 HE1 TRP 18 1HE TRP 18 2.825 -0.849 -5.902 158 HE3 TRP 18 3HE TRP 18 3.233 -0.738 -0.573 159 HZ2 TRP 18 2HZ TRP 18 5.164 0.570 -4.958 160 HZ3 TRP 18 3HZ TRP 18 5.330 0.560 -0.668 161 HH2 TRP 18 HH TRP 18 6.307 1.220 -2.847 162 H LYS 19 H LYS 19 -0.072 -2.970 0.847 163 HA LYS 19 HA LYS 19 1.344 -1.303 2.429 164 1HB LYS 19 1HB LYS 19 -0.795 -2.332 3.075 165 2HB LYS 19 2HB LYS 19 0.024 -3.890 3.339 166 1HG LYS 19 1HG LYS 19 0.923 -3.223 5.329 167 2HG LYS 19 2HG LYS 19 1.248 -1.575 4.741 168 1HD LYS 19 1HD LYS 19 -0.610 -0.822 5.769 169 2HD LYS 19 2HD LYS 19 -1.604 -1.977 4.849 170 1HE LYS 19 1HE LYS 19 -0.027 -2.748 7.330 171 2HE LYS 19 2HE LYS 19 -1.717 -2.201 7.388 172 1HZ LYS 19 1HZ LYS 19 -2.118 -4.341 7.113 173 2HZ LYS 19 2HZ LYS 19 -1.805 -4.065 5.518 174 3HZ LYS 19 3HZ LYS 19 -0.630 -4.688 6.493 175 H MET 20 H MET 20 1.981 -4.832 2.134 176 HA MET 20 HA MET 20 3.937 -5.249 3.975 177 1HB MET 20 1HB MET 20 3.794 -7.156 2.776 178 2HB MET 20 2HB MET 20 3.305 -6.287 1.301 179 1HG MET 20 1HG MET 20 6.000 -5.581 1.758 180 2HG MET 20 2HG MET 20 5.911 -7.324 2.059 181 1HE MET 20 1HE MET 20 5.122 -4.535 -0.968 182 2HE MET 20 2HE MET 20 3.963 -5.659 -1.718 183 3HE MET 20 3HE MET 20 3.738 -5.144 -0.029 184 H ARG 21 H ARG 21 4.389 -3.631 0.797 185 HA ARG 21 HA ARG 21 7.178 -3.010 1.479 186 1HB ARG 21 1HB ARG 21 5.396 -2.686 -0.936 187 2HB ARG 21 2HB ARG 21 6.917 -1.769 -0.814 188 1HG ARG 21 1HG ARG 21 8.238 -3.700 -0.837 189 2HG ARG 21 2HG ARG 21 6.913 -4.736 -0.252 190 1HD ARG 21 1HD ARG 21 5.789 -3.948 -2.551 191 2HD ARG 21 2HD ARG 21 7.489 -3.739 -3.024 192 HE ARG 21 HE ARG 21 7.393 -6.255 -1.867 193 1HH1 ARG 21 2HH2 ARG 21 5.721 -4.587 -4.499 194 2HH1 ARG 21 1HH2 ARG 21 5.457 -6.041 -5.435 195 1HH2 ARG 21 2HH1 ARG 21 7.043 -8.175 -3.105 196 2HH2 ARG 21 1HH1 ARG 21 6.211 -8.086 -4.640 197 H ARG 22 H ARG 22 4.039 -1.347 0.998 198 HA ARG 22 HA ARG 22 5.121 1.281 1.472 199 1HB ARG 22 1HB ARG 22 3.022 0.781 0.193 200 2HB ARG 22 2HB ARG 22 2.254 0.294 1.723 201 1HG ARG 22 1HG ARG 22 1.685 2.475 1.958 202 2HG ARG 22 2HG ARG 22 3.401 2.760 2.335 203 1HD ARG 22 1HD ARG 22 2.029 2.979 -0.369 204 2HD ARG 22 2HD ARG 22 2.793 4.281 0.566 205 HE ARG 22 HE ARG 22 4.684 2.193 -0.002 206 1HH1 ARG 22 2HH2 ARG 22 2.933 4.901 -1.452 207 2HH1 ARG 22 1HH2 ARG 22 4.151 5.215 -2.669 208 1HH2 ARG 22 2HH1 ARG 22 6.292 2.607 -1.610 209 2HH2 ARG 22 1HH1 ARG 22 6.065 3.907 -2.759 210 H ASN 23 H ASN 23 5.724 -0.883 3.481 211 HA ASN 23 HA ASN 23 5.266 0.744 5.835 212 1HB ASN 23 1HB ASN 23 3.280 -1.147 5.182 213 2HB ASN 23 2HB ASN 23 4.252 -1.905 6.462 214 1HD2 ASN 23 1HD2 ASN 23 2.854 1.325 5.635 215 2HD2 ASN 23 2HD2 ASN 23 2.312 1.693 7.258 216 H GLN 24 H GLN 24 7.402 -0.577 4.136 217 HA GLN 24 HA GLN 24 9.151 -1.303 6.253 218 1HB GLN 24 1HB GLN 24 9.090 -3.577 6.347 219 2HB GLN 24 2HB GLN 24 7.422 -3.358 5.766 220 1HG GLN 24 1HG GLN 24 8.225 -3.563 3.426 221 2HG GLN 24 2HG GLN 24 9.879 -3.815 4.024 222 1HE2 GLN 24 1HE2 GLN 24 10.417 -5.910 3.761 223 2HE2 GLN 24 2HE2 GLN 24 9.401 -7.277 4.166 224 H PHE 25 H PHE 25 8.288 -1.800 2.806 225 HA PHE 25 HA PHE 25 11.114 -1.761 2.031 226 1HB PHE 25 1HB PHE 25 9.658 -3.245 0.833 227 2HB PHE 25 2HB PHE 25 8.495 -1.946 0.516 228 HD1 PHE 25 1HD PHE 25 9.639 0.185 -0.720 229 HD2 PHE 25 2HD PHE 25 11.000 -3.883 -0.933 230 HE1 PHE 25 1HE PHE 25 10.772 0.677 -2.870 231 HE2 PHE 25 2HE PHE 25 12.134 -3.391 -3.083 232 HZ PHE 25 HZ PHE 25 12.020 -1.111 -4.052 233 H TRP 26 H TRP 26 8.173 0.232 1.367 234 HA TRP 26 HA TRP 26 9.235 2.275 -0.095 235 1HB TRP 26 1HB TRP 26 7.470 3.602 0.656 236 2HB TRP 26 2HB TRP 26 6.877 1.949 0.874 237 HD1 TRP 26 HD TRP 26 5.800 1.488 3.099 238 HE1 TRP 26 1HE TRP 26 5.795 2.510 5.432 239 HE3 TRP 26 3HE TRP 26 9.325 5.131 2.392 240 HZ2 TRP 26 2HZ TRP 26 7.151 4.649 6.832 241 HZ3 TRP 26 3HZ TRP 26 9.941 6.639 4.245 242 HH2 TRP 26 HH TRP 26 8.866 6.413 6.466 243 H VAL 27 H VAL 27 9.539 1.828 3.449 244 HA VAL 27 HA VAL 27 10.673 4.155 4.284 245 HB VAL 27 HB VAL 27 11.675 2.927 6.017 246 1HG1 VAL 27 1HG1 VAL 27 9.799 0.778 5.034 247 2HG1 VAL 27 2HG1 VAL 27 9.991 1.446 6.673 248 3HG1 VAL 27 3HG1 VAL 27 9.154 2.392 5.419 249 1HG2 VAL 27 1HG2 VAL 27 11.990 0.705 3.958 250 2HG2 VAL 27 2HG2 VAL 27 13.283 1.656 4.727 251 3HG2 VAL 27 3HG2 VAL 27 12.333 0.502 5.693 252 H LYS 28 H LYS 28 12.364 1.542 2.483 253 HA LYS 28 HA LYS 28 14.901 2.858 2.460 254 1HB LYS 28 1HB LYS 28 13.604 0.636 0.877 255 2HB LYS 28 2HB LYS 28 15.203 1.265 0.413 256 1HG LYS 28 1HG LYS 28 16.162 0.671 2.513 257 2HG LYS 28 2HG LYS 28 14.566 0.421 3.260 258 1HD LYS 28 1HD LYS 28 15.601 -1.234 0.925 259 2HD LYS 28 2HD LYS 28 15.798 -1.712 2.628 260 1HE LYS 28 1HE LYS 28 13.758 -2.663 2.472 261 2HE LYS 28 2HE LYS 28 13.100 -1.012 2.437 262 1HZ LYS 28 1HZ LYS 28 14.054 -1.889 -0.082 263 2HZ LYS 28 2HZ LYS 28 12.847 -2.849 0.501 264 3HZ LYS 28 3HZ LYS 28 12.600 -1.228 0.326 265 H VAL 29 H VAL 29 12.038 2.951 0.346 266 HA VAL 29 HA VAL 29 13.035 4.142 -1.934 267 HB VAL 29 HB VAL 29 10.467 4.706 -0.406 268 1HG1 VAL 29 1HG1 VAL 29 11.281 5.436 -3.252 269 2HG1 VAL 29 2HG1 VAL 29 9.640 5.596 -2.581 270 3HG1 VAL 29 3HG1 VAL 29 10.970 6.577 -1.921 271 1HG2 VAL 29 1HG2 VAL 29 10.961 2.361 -1.260 272 2HG2 VAL 29 2HG2 VAL 29 9.493 3.110 -1.932 273 3HG2 VAL 29 3HG2 VAL 29 10.983 3.044 -2.903 274 H GLN 30 H GLN 30 13.128 5.367 1.286 275 HA GLN 30 HA GLN 30 13.500 8.150 0.342 276 1HB GLN 30 1HB GLN 30 12.869 8.803 2.437 277 2HB GLN 30 2HB GLN 30 12.131 7.184 2.479 278 1HG GLN 30 1HG GLN 30 14.319 6.318 3.425 279 2HG GLN 30 2HG GLN 30 14.848 8.008 3.570 280 1HE2 GLN 30 1HE2 GLN 30 13.464 5.464 5.228 281 2HE2 GLN 30 2HE2 GLN 30 12.621 6.353 6.478 282 H ARG 31 H ARG 31 15.157 5.473 2.046 283 HA ARG 31 HA ARG 31 17.354 5.448 2.877 284 1HB ARG 31 1HB ARG 31 17.455 4.333 0.741 285 2HB ARG 31 2HB ARG 31 17.521 5.885 -0.127 286 1HG ARG 31 1HG ARG 31 19.761 5.974 0.113 287 2HG ARG 31 2HG ARG 31 19.614 5.789 1.878 288 1HD ARG 31 1HD ARG 31 19.040 3.243 0.986 289 2HD ARG 31 2HD ARG 31 20.253 3.778 -0.196 290 HE ARG 31 HE ARG 31 20.949 4.289 2.603 291 1HH1 ARG 31 2HH2 ARG 31 21.094 2.072 -0.147 292 2HH1 ARG 31 1HH2 ARG 31 22.498 1.213 0.444 293 1HH2 ARG 31 2HH1 ARG 31 22.804 3.154 3.384 294 2HH2 ARG 31 1HH1 ARG 31 23.473 1.830 2.457 295 H GLY 32 H GLY 32 17.423 7.347 4.204 296 1HA GLY 32 1HA GLY 32 18.461 9.798 2.904 297 2HA GLY 32 2HA GLY 32 17.824 9.661 4.559 Start of MODEL 29 1 HA PRO 1 HA PRO 1 -7.284 9.069 1.335 2 1HB PRO 1 1HB PRO 1 -7.624 11.171 3.034 3 2HB PRO 1 2HB PRO 1 -6.141 10.162 3.063 4 1HG PRO 1 1HG PRO 1 -6.542 12.798 1.621 5 2HG PRO 1 2HG PRO 1 -5.217 12.367 2.749 6 1HD PRO 1 1HD PRO 1 -4.912 12.150 0.050 7 2HD PRO 1 2HD PRO 1 -4.236 10.903 1.142 8 HA PRO 2 HA PRO 2 -10.311 11.249 -1.327 9 1HB PRO 2 1HB PRO 2 -11.838 9.062 -1.881 10 2HB PRO 2 2HB PRO 2 -10.256 9.337 -2.680 11 1HG PRO 2 1HG PRO 2 -10.810 7.630 -0.237 12 2HG PRO 2 2HG PRO 2 -9.941 7.145 -1.729 13 1HD PRO 2 1HD PRO 2 -8.598 8.000 0.483 14 2HD PRO 2 2HD PRO 2 -8.060 8.493 -1.151 15 H LEU 3 H LEU 3 -12.969 10.361 -1.124 16 HA LEU 3 HA LEU 3 -13.598 11.289 1.581 17 1HB LEU 3 1HB LEU 3 -15.159 10.758 -0.955 18 2HB LEU 3 2HB LEU 3 -15.991 11.026 0.596 19 HG LEU 3 HG LEU 3 -14.337 13.104 0.746 20 1HD1 LEU 3 1HD1 LEU 3 -13.982 12.085 -1.971 21 2HD1 LEU 3 2HD1 LEU 3 -14.579 13.762 -1.978 22 3HD1 LEU 3 3HD1 LEU 3 -13.077 13.356 -1.113 23 1HD2 LEU 3 1HD2 LEU 3 -16.130 14.460 0.043 24 2HD2 LEU 3 2HD2 LEU 3 -16.613 13.323 -1.238 25 3HD2 LEU 3 3HD2 LEU 3 -16.934 12.931 0.468 26 H SER 4 H SER 4 -12.545 8.434 0.621 27 HA SER 4 HA SER 4 -12.659 6.433 1.808 28 1HB SER 4 1HB SER 4 -15.407 7.039 2.860 29 2HB SER 4 2HB SER 4 -14.063 6.160 3.627 30 HG SER 4 HG SER 4 -12.988 8.157 3.844 31 H GLN 5 H GLN 5 -13.370 4.450 1.065 32 HA GLN 5 HA GLN 5 -14.805 2.954 -0.013 33 1HB GLN 5 1HB GLN 5 -16.596 4.880 0.484 34 2HB GLN 5 2HB GLN 5 -16.430 5.135 -1.270 35 1HG GLN 5 1HG GLN 5 -16.628 2.461 -1.285 36 2HG GLN 5 2HG GLN 5 -17.497 2.769 0.234 37 1HE2 GLN 5 1HE2 GLN 5 -19.337 1.827 -1.044 38 2HE2 GLN 5 2HE2 GLN 5 -20.279 2.914 -2.043 39 H GLU 6 H GLU 6 -13.759 6.003 -1.526 40 HA GLU 6 HA GLU 6 -13.801 5.278 -4.216 41 1HB GLU 6 1HB GLU 6 -13.000 7.453 -2.865 42 2HB GLU 6 2HB GLU 6 -11.402 6.735 -3.177 43 1HG GLU 6 1HG GLU 6 -13.374 6.855 -5.439 44 2HG GLU 6 2HG GLU 6 -12.571 8.362 -4.946 45 H THR 7 H THR 7 -11.084 4.832 -1.876 46 HA THR 7 HA THR 7 -9.780 3.018 -3.796 47 HB THR 7 HB THR 7 -8.531 3.267 -1.169 48 HG1 THR 7 1HG THR 7 -8.850 5.303 -0.874 49 1HG2 THR 7 1HG2 THR 7 -7.677 4.289 -3.908 50 2HG2 THR 7 2HG2 THR 7 -6.626 3.891 -2.527 51 3HG2 THR 7 3HG2 THR 7 -7.497 2.597 -3.385 52 H PHE 8 H PHE 8 -9.569 2.552 -0.311 53 HA PHE 8 HA PHE 8 -9.543 0.257 0.490 54 1HB PHE 8 1HB PHE 8 -12.457 1.010 0.590 55 2HB PHE 8 2HB PHE 8 -11.451 0.256 1.839 56 HD1 PHE 8 1HD PHE 8 -11.131 3.396 -0.211 57 HD2 PHE 8 2HD PHE 8 -11.278 1.619 3.697 58 HE1 PHE 8 1HE PHE 8 -10.736 5.619 0.814 59 HE2 PHE 8 2HE PHE 8 -10.882 3.842 4.722 60 HZ PHE 8 HZ PHE 8 -10.611 5.842 3.281 61 H SER 9 H SER 9 -12.574 0.729 -1.422 62 HA SER 9 HA SER 9 -13.375 -1.779 -1.916 63 1HB SER 9 1HB SER 9 -14.257 0.335 -2.972 64 2HB SER 9 2HB SER 9 -12.941 0.221 -4.165 65 HG SER 9 HG SER 9 -14.357 -2.107 -3.785 66 H ASP 10 H ASP 10 -10.864 -0.237 -4.009 67 HA ASP 10 HA ASP 10 -9.936 -2.972 -4.708 68 1HB ASP 10 1HB ASP 10 -9.765 -0.262 -6.033 69 2HB ASP 10 2HB ASP 10 -8.649 -1.570 -6.485 70 H LEU 11 H LEU 11 -9.166 -0.126 -2.887 71 HA LEU 11 HA LEU 11 -6.311 -0.328 -2.950 72 1HB LEU 11 1HB LEU 11 -8.023 1.540 -2.076 73 2HB LEU 11 2HB LEU 11 -7.737 0.707 -0.529 74 HG LEU 11 HG LEU 11 -5.778 2.161 -2.309 75 1HD1 LEU 11 1HD1 LEU 11 -5.205 2.311 0.478 76 2HD1 LEU 11 2HD1 LEU 11 -5.890 3.581 -0.563 77 3HD1 LEU 11 3HD1 LEU 11 -6.970 2.466 0.307 78 1HD2 LEU 11 1HD2 LEU 11 -5.198 -0.137 -0.402 79 2HD2 LEU 11 2HD2 LEU 11 -4.721 0.012 -2.111 80 3HD2 LEU 11 3HD2 LEU 11 -3.968 1.056 -0.882 81 H TRP 12 H TRP 12 -8.502 -1.041 -0.172 82 HA TRP 12 HA TRP 12 -6.678 -2.519 1.317 83 1HB TRP 12 1HB TRP 12 -8.435 -2.618 2.676 84 2HB TRP 12 2HB TRP 12 -9.413 -1.882 1.399 85 HD1 TRP 12 HD TRP 12 -11.496 -3.172 0.864 86 HE1 TRP 12 1HE TRP 12 -12.304 -5.584 0.984 87 HE3 TRP 12 3HE TRP 12 -7.199 -5.379 2.557 88 HZ2 TRP 12 2HZ TRP 12 -11.226 -8.166 1.725 89 HZ3 TRP 12 3HZ TRP 12 -7.128 -7.813 2.957 90 HH2 TRP 12 HH TRP 12 -9.127 -9.217 2.548 91 H LYS 13 H LYS 13 -8.764 -3.559 -1.387 92 HA LYS 13 HA LYS 13 -8.151 -6.357 -1.102 93 1HB LYS 13 1HB LYS 13 -9.927 -4.777 -2.585 94 2HB LYS 13 2HB LYS 13 -8.848 -5.497 -3.804 95 1HG LYS 13 1HG LYS 13 -9.802 -7.307 -1.625 96 2HG LYS 13 2HG LYS 13 -11.016 -6.789 -2.819 97 1HD LYS 13 1HD LYS 13 -9.391 -7.482 -4.637 98 2HD LYS 13 2HD LYS 13 -8.365 -8.185 -3.364 99 1HE LYS 13 1HE LYS 13 -9.997 -9.792 -2.773 100 2HE LYS 13 2HE LYS 13 -11.298 -8.902 -3.593 101 1HZ LYS 13 1HZ LYS 13 -10.479 -9.531 -5.645 102 2HZ LYS 13 2HZ LYS 13 -9.029 -10.040 -5.046 103 3HZ LYS 13 3HZ LYS 13 -10.399 -10.906 -4.738 104 H LEU 14 H LEU 14 -6.659 -3.594 -2.730 105 HA LEU 14 HA LEU 14 -4.903 -5.218 -4.371 106 1HB LEU 14 1HB LEU 14 -5.240 -2.300 -3.723 107 2HB LEU 14 2HB LEU 14 -3.715 -2.850 -4.458 108 HG LEU 14 HG LEU 14 -6.172 -2.326 -5.777 109 1HD1 LEU 14 1HD1 LEU 14 -4.856 -3.239 -7.755 110 2HD1 LEU 14 2HD1 LEU 14 -4.017 -1.990 -6.804 111 3HD1 LEU 14 3HD1 LEU 14 -3.586 -3.705 -6.598 112 1HD2 LEU 14 1HD2 LEU 14 -6.945 -4.391 -6.608 113 2HD2 LEU 14 2HD2 LEU 14 -5.464 -5.249 -6.119 114 3HD2 LEU 14 3HD2 LEU 14 -6.646 -4.740 -4.889 115 H LEU 15 H LEU 15 -4.661 -3.424 -1.276 116 HA LEU 15 HA LEU 15 -1.885 -3.825 -0.868 117 1HB LEU 15 1HB LEU 15 -4.159 -2.785 0.568 118 2HB LEU 15 2HB LEU 15 -3.224 -3.852 1.644 119 HG LEU 15 HG LEU 15 -1.141 -2.594 0.678 120 1HD1 LEU 15 1HD1 LEU 15 -2.918 -1.437 -0.975 121 2HD1 LEU 15 2HD1 LEU 15 -3.033 -0.287 0.378 122 3HD1 LEU 15 3HD1 LEU 15 -1.464 -0.581 -0.409 123 1HD2 LEU 15 1HD2 LEU 15 -2.923 -0.857 2.390 124 2HD2 LEU 15 2HD2 LEU 15 -2.366 -2.431 3.005 125 3HD2 LEU 15 3HD2 LEU 15 -1.181 -1.184 2.549 126 H LYS 16 H LYS 16 -4.543 -6.026 -0.834 127 HA LYS 16 HA LYS 16 -3.568 -7.896 1.096 128 1HB LYS 16 1HB LYS 16 -5.852 -7.593 -0.419 129 2HB LYS 16 2HB LYS 16 -5.070 -8.990 -1.198 130 1HG LYS 16 1HG LYS 16 -5.345 -8.797 1.818 131 2HG LYS 16 2HG LYS 16 -6.643 -9.470 0.804 132 1HD LYS 16 1HD LYS 16 -4.872 -11.010 -0.215 133 2HD LYS 16 2HD LYS 16 -3.784 -10.469 1.086 134 1HE LYS 16 1HE LYS 16 -5.748 -11.103 2.680 135 2HE LYS 16 2HE LYS 16 -6.372 -12.025 1.295 136 1HZ LYS 16 1HZ LYS 16 -5.011 -13.374 2.695 137 2HZ LYS 16 2HZ LYS 16 -4.286 -13.191 1.225 138 3HZ LYS 16 3HZ LYS 16 -3.729 -12.349 2.529 139 H LYS 17 H LYS 17 -1.788 -6.779 -1.258 140 HA LYS 17 HA LYS 17 -0.178 -9.147 -1.481 141 1HB LYS 17 1HB LYS 17 -1.175 -10.086 -3.269 142 2HB LYS 17 2HB LYS 17 -2.221 -8.668 -3.520 143 1HG LYS 17 1HG LYS 17 0.696 -8.887 -4.379 144 2HG LYS 17 2HG LYS 17 -0.711 -9.040 -5.457 145 1HD LYS 17 1HD LYS 17 -1.093 -6.644 -3.975 146 2HD LYS 17 2HD LYS 17 0.604 -6.639 -4.510 147 1HE LYS 17 1HE LYS 17 0.041 -6.423 -6.701 148 2HE LYS 17 2HE LYS 17 -1.315 -7.563 -6.562 149 1HZ LYS 17 1HZ LYS 17 -2.697 -5.898 -6.355 150 2HZ LYS 17 2HZ LYS 17 -1.813 -5.172 -5.167 151 3HZ LYS 17 3HZ LYS 17 -1.473 -4.866 -6.752 152 H TRP 18 H TRP 18 -0.979 -5.825 -2.106 153 HA TRP 18 HA TRP 18 1.684 -5.291 -3.275 154 1HB TRP 18 1HB TRP 18 -0.838 -4.254 -3.727 155 2HB TRP 18 2HB TRP 18 -0.098 -3.029 -2.687 156 HD1 TRP 18 HD TRP 18 -0.340 -4.084 -6.197 157 HE1 TRP 18 1HE TRP 18 1.292 -2.819 -7.689 158 HE3 TRP 18 3HE TRP 18 2.614 -1.997 -2.575 159 HZ2 TRP 18 2HZ TRP 18 3.603 -1.107 -7.361 160 HZ3 TRP 18 3HZ TRP 18 4.518 -0.558 -3.202 161 HH2 TRP 18 HH TRP 18 5.025 -0.104 -5.585 162 H LYS 19 H LYS 19 -0.269 -4.782 -0.349 163 HA LYS 19 HA LYS 19 1.297 -2.857 0.947 164 1HB LYS 19 1HB LYS 19 0.041 -3.379 2.796 165 2HB LYS 19 2HB LYS 19 -0.943 -4.213 1.569 166 1HG LYS 19 1HG LYS 19 0.262 -6.319 2.021 167 2HG LYS 19 2HG LYS 19 1.275 -5.490 3.227 168 1HD LYS 19 1HD LYS 19 -0.987 -4.819 4.338 169 2HD LYS 19 2HD LYS 19 -1.686 -6.117 3.341 170 1HE LYS 19 1HE LYS 19 0.810 -6.722 4.892 171 2HE LYS 19 2HE LYS 19 -0.714 -6.586 5.795 172 1HZ LYS 19 1HZ LYS 19 -1.297 -8.100 3.628 173 2HZ LYS 19 2HZ LYS 19 0.182 -8.650 4.107 174 3HZ LYS 19 3HZ LYS 19 -1.077 -8.637 5.172 175 H MET 20 H MET 20 1.642 -6.439 0.910 176 HA MET 20 HA MET 20 3.586 -6.980 2.668 177 1HB MET 20 1HB MET 20 4.657 -8.426 0.794 178 2HB MET 20 2HB MET 20 2.954 -8.726 1.218 179 1HG MET 20 1HG MET 20 2.589 -8.500 -1.003 180 2HG MET 20 2HG MET 20 2.675 -6.765 -0.655 181 1HE MET 20 1HE MET 20 4.723 -5.965 -3.612 182 2HE MET 20 2HE MET 20 3.053 -6.478 -3.270 183 3HE MET 20 3HE MET 20 3.857 -5.299 -2.207 184 H ARG 21 H ARG 21 4.076 -5.135 -0.353 185 HA ARG 21 HA ARG 21 6.892 -4.651 0.450 186 1HB ARG 21 1HB ARG 21 5.963 -5.414 -1.943 187 2HB ARG 21 2HB ARG 21 5.741 -3.658 -2.131 188 1HG ARG 21 1HG ARG 21 8.008 -3.221 -2.043 189 2HG ARG 21 2HG ARG 21 8.343 -4.612 -0.984 190 1HD ARG 21 1HD ARG 21 9.038 -5.725 -2.815 191 2HD ARG 21 2HD ARG 21 7.346 -5.740 -3.359 192 HE ARG 21 HE ARG 21 8.668 -3.256 -4.020 193 1HH1 ARG 21 2HH2 ARG 21 8.274 -6.643 -4.954 194 2HH1 ARG 21 1HH2 ARG 21 8.639 -6.362 -6.642 195 1HH2 ARG 21 2HH1 ARG 21 9.150 -2.885 -6.250 196 2HH2 ARG 21 1HH1 ARG 21 9.138 -4.220 -7.380 197 H ARG 22 H ARG 22 3.753 -3.100 -0.131 198 HA ARG 22 HA ARG 22 4.852 -0.413 0.188 199 1HB ARG 22 1HB ARG 22 2.654 -1.425 -1.078 200 2HB ARG 22 2HB ARG 22 1.931 -0.872 0.452 201 1HG ARG 22 1HG ARG 22 3.872 0.946 -0.954 202 2HG ARG 22 2HG ARG 22 2.224 0.795 -1.610 203 1HD ARG 22 1HD ARG 22 1.949 2.537 -0.086 204 2HD ARG 22 2HD ARG 22 1.504 1.130 0.904 205 HE ARG 22 HE ARG 22 4.146 1.306 1.425 206 1HH1 ARG 22 2HH2 ARG 22 1.600 3.756 1.294 207 2HH1 ARG 22 1HH2 ARG 22 2.346 4.791 2.492 208 1HH2 ARG 22 2HH1 ARG 22 5.131 2.674 3.007 209 2HH2 ARG 22 1HH1 ARG 22 4.358 4.174 3.468 210 H ASN 23 H ASN 23 5.204 -2.479 2.351 211 HA ASN 23 HA ASN 23 4.238 -0.765 4.544 212 1HB ASN 23 1HB ASN 23 2.813 -3.042 3.822 213 2HB ASN 23 2HB ASN 23 3.863 -3.612 5.137 214 1HD2 ASN 23 1HD2 ASN 23 3.692 -2.667 7.236 215 2HD2 ASN 23 2HD2 ASN 23 2.279 -1.745 7.705 216 H GLN 24 H GLN 24 6.790 -1.791 3.076 217 HA GLN 24 HA GLN 24 8.257 -2.350 5.588 218 1HB GLN 24 1HB GLN 24 9.648 -3.961 3.999 219 2HB GLN 24 2HB GLN 24 8.195 -4.543 4.846 220 1HG GLN 24 1HG GLN 24 6.827 -4.134 2.865 221 2HG GLN 24 2HG GLN 24 8.213 -3.412 2.019 222 1HE2 GLN 24 1HE2 GLN 24 9.448 -4.712 0.767 223 2HE2 GLN 24 2HE2 GLN 24 9.444 -6.461 0.820 224 H PHE 25 H PHE 25 9.876 -2.831 2.573 225 HA PHE 25 HA PHE 25 11.695 -0.697 3.034 226 1HB PHE 25 1HB PHE 25 12.484 -2.498 1.759 227 2HB PHE 25 2HB PHE 25 11.054 -2.511 0.713 228 HD1 PHE 25 1HD PHE 25 10.696 -0.217 -0.641 229 HD2 PHE 25 2HD PHE 25 14.448 -1.654 0.878 230 HE1 PHE 25 1HE PHE 25 11.901 1.168 -2.308 231 HE2 PHE 25 2HE PHE 25 15.653 -0.270 -0.790 232 HZ PHE 25 HZ PHE 25 14.380 1.142 -2.382 233 H TRP 26 H TRP 26 8.478 -0.602 2.042 234 HA TRP 26 HA TRP 26 8.710 1.542 0.097 235 1HB TRP 26 1HB TRP 26 6.649 -0.154 1.265 236 2HB TRP 26 2HB TRP 26 6.124 1.533 1.170 237 HD1 TRP 26 HD TRP 26 7.084 -1.442 -1.002 238 HE1 TRP 26 1HE TRP 26 6.314 -1.061 -3.400 239 HE3 TRP 26 3HE TRP 26 5.571 3.431 -0.599 240 HZ2 TRP 26 2HZ TRP 26 5.180 1.094 -4.964 241 HZ3 TRP 26 3HZ TRP 26 4.653 4.612 -2.562 242 HH2 TRP 26 HH TRP 26 4.451 3.461 -4.746 243 H VAL 27 H VAL 27 7.242 1.392 3.395 244 HA VAL 27 HA VAL 27 6.698 3.938 3.972 245 HB VAL 27 HB VAL 27 7.437 3.542 6.281 246 1HG1 VAL 27 1HG1 VAL 27 5.477 2.266 5.124 247 2HG1 VAL 27 2HG1 VAL 27 6.563 0.857 5.184 248 3HG1 VAL 27 3HG1 VAL 27 6.067 1.663 6.692 249 1HG2 VAL 27 1HG2 VAL 27 9.388 2.449 6.591 250 2HG2 VAL 27 2HG2 VAL 27 8.544 0.945 6.150 251 3HG2 VAL 27 3HG2 VAL 27 9.396 1.886 4.903 252 H LYS 28 H LYS 28 9.976 2.665 3.466 253 HA LYS 28 HA LYS 28 11.258 5.151 4.265 254 1HB LYS 28 1HB LYS 28 12.241 2.645 2.849 255 2HB LYS 28 2HB LYS 28 13.289 4.008 3.308 256 1HG LYS 28 1HG LYS 28 11.493 2.592 5.309 257 2HG LYS 28 2HG LYS 28 13.157 2.055 4.977 258 1HD LYS 28 1HD LYS 28 14.061 3.786 6.135 259 2HD LYS 28 2HD LYS 28 12.934 4.963 5.419 260 1HE LYS 28 1HE LYS 28 11.533 4.857 7.193 261 2HE LYS 28 2HE LYS 28 11.609 3.082 7.249 262 1HZ LYS 28 1HZ LYS 28 12.589 4.521 9.132 263 2HZ LYS 28 2HZ LYS 28 13.349 3.138 8.652 264 3HZ LYS 28 3HZ LYS 28 13.906 4.605 8.143 265 H VAL 29 H VAL 29 10.237 3.557 1.241 266 HA VAL 29 HA VAL 29 11.522 5.010 -0.692 267 HB VAL 29 HB VAL 29 8.619 4.137 -0.507 268 1HG1 VAL 29 1HG1 VAL 29 8.601 5.890 -2.132 269 2HG1 VAL 29 2HG1 VAL 29 10.181 5.399 -2.788 270 3HG1 VAL 29 3HG1 VAL 29 8.748 4.381 -3.064 271 1HG2 VAL 29 1HG2 VAL 29 9.349 2.254 -1.779 272 2HG2 VAL 29 2HG2 VAL 29 10.898 3.032 -2.185 273 3HG2 VAL 29 3HG2 VAL 29 10.589 2.477 -0.522 274 H GLN 30 H GLN 30 9.382 6.225 1.750 275 HA GLN 30 HA GLN 30 8.950 8.749 0.264 276 1HB GLN 30 1HB GLN 30 7.137 9.080 1.624 277 2HB GLN 30 2HB GLN 30 7.240 7.310 1.781 278 1HG GLN 30 1HG GLN 30 8.762 7.680 3.780 279 2HG GLN 30 2HG GLN 30 8.362 9.408 3.676 280 1HE2 GLN 30 1HE2 GLN 30 7.768 8.111 6.011 281 2HE2 GLN 30 2HE2 GLN 30 6.040 7.869 6.157 282 H ARG 31 H ARG 31 10.455 7.423 3.230 283 HA ARG 31 HA ARG 31 11.665 8.593 4.868 284 1HB ARG 31 1HB ARG 31 13.344 7.624 3.462 285 2HB ARG 31 2HB ARG 31 13.129 8.883 2.223 286 1HG ARG 31 1HG ARG 31 14.588 10.245 3.273 287 2HG ARG 31 2HG ARG 31 13.697 10.091 4.806 288 1HD ARG 31 1HD ARG 31 15.088 8.466 5.602 289 2HD ARG 31 2HD ARG 31 15.270 7.701 4.009 290 HE ARG 31 HE ARG 31 16.966 9.774 5.185 291 1HH1 ARG 31 2HH2 ARG 31 15.883 8.140 2.242 292 2HH1 ARG 31 1HH2 ARG 31 17.311 8.556 1.322 293 1HH2 ARG 31 2HH1 ARG 31 18.852 10.324 3.968 294 2HH2 ARG 31 1HH1 ARG 31 19.003 9.802 2.306 295 H GLY 32 H GLY 32 12.858 10.798 2.411 296 1HA GLY 32 1HA GLY 32 12.660 13.124 3.823 297 2HA GLY 32 2HA GLY 32 12.469 13.054 2.056 Start of MODEL 30 1 HA PRO 1 HA PRO 1 -18.236 10.137 -1.348 2 1HB PRO 1 1HB PRO 1 -17.496 12.301 0.133 3 2HB PRO 1 2HB PRO 1 -17.764 12.414 -1.637 4 1HG PRO 1 1HG PRO 1 -19.739 13.072 0.567 5 2HG PRO 1 2HG PRO 1 -19.262 14.113 -0.814 6 1HD PRO 1 1HD PRO 1 -21.504 12.565 -0.908 7 2HD PRO 1 2HD PRO 1 -20.458 12.736 -2.350 8 HA PRO 2 HA PRO 2 -19.838 8.478 2.612 9 1HB PRO 2 1HB PRO 2 -18.771 5.986 2.335 10 2HB PRO 2 2HB PRO 2 -20.236 6.493 1.432 11 1HG PRO 2 1HG PRO 2 -17.367 6.535 0.453 12 2HG PRO 2 2HG PRO 2 -18.784 5.794 -0.360 13 1HD PRO 2 1HD PRO 2 -17.926 8.299 -1.005 14 2HD PRO 2 2HD PRO 2 -19.676 7.937 -0.906 15 H LEU 3 H LEU 3 -16.959 9.583 1.403 16 HA LEU 3 HA LEU 3 -15.064 10.273 2.521 17 1HB LEU 3 1HB LEU 3 -16.819 9.529 4.648 18 2HB LEU 3 2HB LEU 3 -15.216 8.843 5.008 19 HG LEU 3 HG LEU 3 -15.507 11.186 5.868 20 1HD1 LEU 3 1HD1 LEU 3 -13.326 11.832 5.294 21 2HD1 LEU 3 2HD1 LEU 3 -13.299 10.085 4.955 22 3HD1 LEU 3 3HD1 LEU 3 -13.488 11.248 3.621 23 1HD2 LEU 3 1HD2 LEU 3 -16.975 11.874 3.904 24 2HD2 LEU 3 2HD2 LEU 3 -15.690 13.031 4.328 25 3HD2 LEU 3 3HD2 LEU 3 -15.491 11.955 2.924 26 H SER 4 H SER 4 -15.953 7.270 1.548 27 HA SER 4 HA SER 4 -13.277 6.356 1.228 28 1HB SER 4 1HB SER 4 -13.533 4.301 2.721 29 2HB SER 4 2HB SER 4 -13.242 5.843 3.562 30 HG SER 4 HG SER 4 -15.022 4.450 4.346 31 H GLN 5 H GLN 5 -13.453 5.389 -0.698 32 HA GLN 5 HA GLN 5 -14.952 3.093 -1.211 33 1HB GLN 5 1HB GLN 5 -16.548 5.529 -1.289 34 2HB GLN 5 2HB GLN 5 -16.518 4.729 -2.879 35 1HG GLN 5 1HG GLN 5 -17.240 2.627 -1.896 36 2HG GLN 5 2HG GLN 5 -17.105 3.300 -0.257 37 1HE2 GLN 5 1HE2 GLN 5 -19.273 3.022 0.319 38 2HE2 GLN 5 2HE2 GLN 5 -20.574 3.926 -0.425 39 H GLU 6 H GLU 6 -14.218 6.253 -2.800 40 HA GLU 6 HA GLU 6 -13.718 5.535 -5.359 41 1HB GLU 6 1HB GLU 6 -12.989 7.654 -3.688 42 2HB GLU 6 2HB GLU 6 -11.440 7.050 -4.323 43 1HG GLU 6 1HG GLU 6 -12.256 8.681 -5.893 44 2HG GLU 6 2HG GLU 6 -12.487 7.082 -6.633 45 H THR 7 H THR 7 -11.069 5.428 -2.902 46 HA THR 7 HA THR 7 -9.624 3.521 -4.602 47 HB THR 7 HB THR 7 -8.492 4.041 -1.960 48 HG1 THR 7 1HG THR 7 -8.139 6.320 -2.594 49 1HG2 THR 7 1HG2 THR 7 -7.585 4.908 -4.734 50 2HG2 THR 7 2HG2 THR 7 -6.572 4.657 -3.292 51 3HG2 THR 7 3HG2 THR 7 -7.345 3.266 -4.090 52 H PHE 8 H PHE 8 -9.503 3.322 -1.090 53 HA PHE 8 HA PHE 8 -9.376 1.091 -0.127 54 1HB PHE 8 1HB PHE 8 -12.325 1.707 -0.148 55 2HB PHE 8 2HB PHE 8 -11.323 1.079 1.171 56 HD1 PHE 8 1HD PHE 8 -11.102 4.097 -1.067 57 HD2 PHE 8 2HD PHE 8 -11.239 2.561 2.942 58 HE1 PHE 8 1HE PHE 8 -10.830 6.396 -0.177 59 HE2 PHE 8 2HE PHE 8 -10.967 4.859 3.832 60 HZ PHE 8 HZ PHE 8 -10.763 6.777 2.272 61 H SER 9 H SER 9 -12.361 1.279 -2.158 62 HA SER 9 HA SER 9 -13.034 -1.296 -2.481 63 1HB SER 9 1HB SER 9 -13.976 0.693 -3.715 64 2HB SER 9 2HB SER 9 -12.622 0.550 -4.862 65 HG SER 9 HG SER 9 -13.334 -1.676 -5.138 66 H ASP 10 H ASP 10 -10.524 0.211 -4.601 67 HA ASP 10 HA ASP 10 -9.448 -2.520 -5.065 68 1HB ASP 10 1HB ASP 10 -8.400 -1.556 -7.044 69 2HB ASP 10 2HB ASP 10 -10.138 -1.184 -7.044 70 H LEU 11 H LEU 11 -8.878 0.489 -3.452 71 HA LEU 11 HA LEU 11 -6.018 0.448 -3.436 72 1HB LEU 11 1HB LEU 11 -7.847 2.273 -2.738 73 2HB LEU 11 2HB LEU 11 -7.571 1.563 -1.129 74 HG LEU 11 HG LEU 11 -5.632 3.001 -2.942 75 1HD1 LEU 11 1HD1 LEU 11 -5.169 3.347 -0.146 76 2HD1 LEU 11 2HD1 LEU 11 -5.857 4.520 -1.294 77 3HD1 LEU 11 3HD1 LEU 11 -6.930 3.418 -0.398 78 1HD2 LEU 11 1HD2 LEU 11 -3.824 2.087 -1.362 79 2HD2 LEU 11 2HD2 LEU 11 -5.007 0.841 -0.897 80 3HD2 LEU 11 3HD2 LEU 11 -4.449 0.953 -2.584 81 H TRP 12 H TRP 12 -8.196 -0.149 -0.624 82 HA TRP 12 HA TRP 12 -6.312 -1.456 0.957 83 1HB TRP 12 1HB TRP 12 -8.049 -1.491 2.344 84 2HB TRP 12 2HB TRP 12 -9.058 -0.873 1.029 85 HD1 TRP 12 HD TRP 12 -11.121 -2.239 0.625 86 HE1 TRP 12 1HE TRP 12 -11.877 -4.651 0.935 87 HE3 TRP 12 3HE TRP 12 -6.757 -4.229 2.410 88 HZ2 TRP 12 2HZ TRP 12 -10.736 -7.149 1.847 89 HZ3 TRP 12 3HZ TRP 12 -6.630 -6.625 2.988 90 HH2 TRP 12 HH TRP 12 -8.605 -8.095 2.713 91 H LYS 13 H LYS 13 -8.422 -2.760 -1.613 92 HA LYS 13 HA LYS 13 -7.780 -5.509 -1.128 93 1HB LYS 13 1HB LYS 13 -9.668 -4.279 -2.571 94 2HB LYS 13 2HB LYS 13 -8.480 -4.532 -3.872 95 1HG LYS 13 1HG LYS 13 -8.534 -6.953 -2.410 96 2HG LYS 13 2HG LYS 13 -10.236 -6.463 -2.587 97 1HD LYS 13 1HD LYS 13 -8.525 -6.149 -5.010 98 2HD LYS 13 2HD LYS 13 -8.864 -7.822 -4.505 99 1HE LYS 13 1HE LYS 13 -11.061 -7.673 -5.063 100 2HE LYS 13 2HE LYS 13 -11.213 -6.031 -4.401 101 1HZ LYS 13 1HZ LYS 13 -11.394 -6.421 -6.902 102 2HZ LYS 13 2HZ LYS 13 -10.543 -5.120 -6.350 103 3HZ LYS 13 3HZ LYS 13 -9.746 -6.465 -6.873 104 H LEU 14 H LEU 14 -6.302 -2.896 -3.029 105 HA LEU 14 HA LEU 14 -4.514 -4.591 -4.505 106 1HB LEU 14 1HB LEU 14 -4.820 -1.660 -3.952 107 2HB LEU 14 2HB LEU 14 -3.255 -2.237 -4.573 108 HG LEU 14 HG LEU 14 -5.589 -1.714 -6.074 109 1HD1 LEU 14 1HD1 LEU 14 -3.139 -3.378 -6.800 110 2HD1 LEU 14 2HD1 LEU 14 -4.215 -2.537 -7.941 111 3HD1 LEU 14 3HD1 LEU 14 -3.210 -1.599 -6.810 112 1HD2 LEU 14 1HD2 LEU 14 -6.467 -3.746 -6.794 113 2HD2 LEU 14 2HD2 LEU 14 -5.004 -4.655 -6.350 114 3HD2 LEU 14 3HD2 LEU 14 -6.137 -4.119 -5.086 115 H LEU 15 H LEU 15 -4.233 -2.676 -1.479 116 HA LEU 15 HA LEU 15 -1.484 -3.264 -1.023 117 1HB LEU 15 1HB LEU 15 -3.640 -1.873 0.273 118 2HB LEU 15 2HB LEU 15 -2.857 -2.944 1.460 119 HG LEU 15 HG LEU 15 -0.622 -2.017 0.469 120 1HD1 LEU 15 1HD1 LEU 15 -2.243 0.442 -0.117 121 2HD1 LEU 15 2HD1 LEU 15 -0.679 -0.076 -0.791 122 3HD1 LEU 15 3HD1 LEU 15 -2.188 -0.833 -1.357 123 1HD2 LEU 15 1HD2 LEU 15 -2.046 0.184 1.889 124 2HD2 LEU 15 2HD2 LEU 15 -2.095 -1.410 2.680 125 3HD2 LEU 15 3HD2 LEU 15 -0.530 -0.651 2.306 126 H LYS 16 H LYS 16 -4.304 -5.221 -0.892 127 HA LYS 16 HA LYS 16 -3.571 -6.981 1.237 128 1HB LYS 16 1HB LYS 16 -5.793 -6.638 -0.248 129 2HB LYS 16 2HB LYS 16 -5.084 -8.016 -1.123 130 1HG LYS 16 1HG LYS 16 -4.836 -8.442 1.732 131 2HG LYS 16 2HG LYS 16 -6.529 -8.073 1.326 132 1HD LYS 16 1HD LYS 16 -6.573 -9.837 -0.345 133 2HD LYS 16 2HD LYS 16 -4.829 -10.129 -0.145 134 1HE LYS 16 1HE LYS 16 -5.486 -10.497 2.387 135 2HE LYS 16 2HE LYS 16 -7.107 -10.787 1.719 136 1HZ LYS 16 1HZ LYS 16 -4.645 -12.275 1.241 137 2HZ LYS 16 2HZ LYS 16 -6.115 -12.832 1.739 138 3HZ LYS 16 3HZ LYS 16 -5.900 -12.354 0.175 139 H LYS 17 H LYS 17 -1.613 -6.223 -1.127 140 HA LYS 17 HA LYS 17 -0.194 -8.724 -1.058 141 1HB LYS 17 1HB LYS 17 -1.230 -9.723 -2.798 142 2HB LYS 17 2HB LYS 17 -2.074 -8.226 -3.262 143 1HG LYS 17 1HG LYS 17 0.847 -8.859 -3.867 144 2HG LYS 17 2HG LYS 17 -0.494 -8.990 -5.030 145 1HD LYS 17 1HD LYS 17 -0.705 -6.412 -3.848 146 2HD LYS 17 2HD LYS 17 1.014 -6.643 -4.249 147 1HE LYS 17 1HE LYS 17 0.346 -5.959 -6.322 148 2HE LYS 17 2HE LYS 17 -0.140 -7.660 -6.493 149 1HZ LYS 17 1HZ LYS 17 -2.131 -6.141 -5.220 150 2HZ LYS 17 2HZ LYS 17 -1.741 -5.478 -6.679 151 3HZ LYS 17 3HZ LYS 17 -2.224 -7.053 -6.591 152 H TRP 18 H TRP 18 -0.679 -5.413 -1.984 153 HA TRP 18 HA TRP 18 2.057 -5.195 -3.078 154 1HB TRP 18 1HB TRP 18 -0.346 -3.977 -3.688 155 2HB TRP 18 2HB TRP 18 0.465 -2.752 -2.703 156 HD1 TRP 18 HD TRP 18 0.164 -3.885 -6.148 157 HE1 TRP 18 1HE TRP 18 1.972 -2.914 -7.656 158 HE3 TRP 18 3HE TRP 18 3.361 -2.136 -2.553 159 HZ2 TRP 18 2HZ TRP 18 4.503 -1.543 -7.351 160 HZ3 TRP 18 3HZ TRP 18 5.457 -1.005 -3.199 161 HH2 TRP 18 HH TRP 18 6.041 -0.702 -5.588 162 H LYS 19 H LYS 19 0.042 -4.173 -0.310 163 HA LYS 19 HA LYS 19 1.725 -2.351 0.924 164 1HB LYS 19 1HB LYS 19 0.390 -2.656 2.765 165 2HB LYS 19 2HB LYS 19 -0.616 -3.513 1.573 166 1HG LYS 19 1HG LYS 19 0.395 -5.654 2.214 167 2HG LYS 19 2HG LYS 19 1.490 -4.824 3.344 168 1HD LYS 19 1HD LYS 19 -0.791 -3.857 4.318 169 2HD LYS 19 2HD LYS 19 -1.471 -5.317 3.559 170 1HE LYS 19 1HE LYS 19 0.922 -6.110 4.884 171 2HE LYS 19 2HE LYS 19 0.026 -5.078 6.019 172 1HZ LYS 19 1HZ LYS 19 -1.176 -7.322 4.566 173 2HZ LYS 19 2HZ LYS 19 -0.551 -7.447 6.087 174 3HZ LYS 19 3HZ LYS 19 -1.839 -6.456 5.804 175 H MET 20 H MET 20 1.795 -5.943 1.212 176 HA MET 20 HA MET 20 3.677 -6.466 3.033 177 1HB MET 20 1HB MET 20 4.652 -8.155 1.325 178 2HB MET 20 2HB MET 20 2.923 -8.280 1.728 179 1HG MET 20 1HG MET 20 2.605 -8.217 -0.507 180 2HG MET 20 2HG MET 20 2.858 -6.473 -0.322 181 1HE MET 20 1HE MET 20 5.004 -6.188 -3.308 182 2HE MET 20 2HE MET 20 3.292 -6.541 -2.975 183 3HE MET 20 3HE MET 20 4.150 -5.311 -2.016 184 H ARG 21 H ARG 21 4.352 -4.976 -0.149 185 HA ARG 21 HA ARG 21 7.187 -4.637 0.649 186 1HB ARG 21 1HB ARG 21 6.214 -5.505 -1.682 187 2HB ARG 21 2HB ARG 21 6.104 -3.759 -2.007 188 1HG ARG 21 1HG ARG 21 8.306 -3.797 -2.505 189 2HG ARG 21 2HG ARG 21 8.622 -4.129 -0.785 190 1HD ARG 21 1HD ARG 21 9.033 -6.341 -1.153 191 2HD ARG 21 2HD ARG 21 7.757 -6.476 -2.383 192 HE ARG 21 HE ARG 21 9.910 -4.907 -3.411 193 1HH1 ARG 21 2HH2 ARG 21 9.063 -8.219 -2.509 194 2HH1 ARG 21 1HH2 ARG 21 10.165 -8.957 -3.650 195 1HH2 ARG 21 2HH1 ARG 21 11.365 -5.882 -4.919 196 2HH2 ARG 21 1HH1 ARG 21 11.477 -7.625 -5.024 197 H ARG 22 H ARG 22 4.248 -2.831 -0.306 198 HA ARG 22 HA ARG 22 5.570 -0.255 -0.046 199 1HB ARG 22 1HB ARG 22 3.409 -1.097 -1.427 200 2HB ARG 22 2HB ARG 22 2.595 -0.496 0.038 201 1HG ARG 22 1HG ARG 22 4.716 1.158 -1.356 202 2HG ARG 22 2HG ARG 22 3.024 1.185 -1.908 203 1HD ARG 22 1HD ARG 22 2.940 2.896 -0.360 204 2HD ARG 22 2HD ARG 22 2.560 1.523 0.702 205 HE ARG 22 HE ARG 22 5.246 1.597 0.915 206 1HH1 ARG 22 2HH2 ARG 22 2.812 4.160 1.008 207 2HH1 ARG 22 1HH2 ARG 22 3.735 5.185 2.084 208 1HH2 ARG 22 2HH1 ARG 22 6.465 2.951 2.336 209 2HH2 ARG 22 1HH1 ARG 22 5.818 4.496 2.841 210 H ASN 23 H ASN 23 5.512 -2.234 2.266 211 HA ASN 23 HA ASN 23 4.716 -0.250 4.285 212 1HB ASN 23 1HB ASN 23 2.962 -2.317 3.579 213 2HB ASN 23 2HB ASN 23 3.772 -2.904 5.047 214 1HD2 ASN 23 1HD2 ASN 23 1.447 -2.659 5.846 215 2HD2 ASN 23 2HD2 ASN 23 1.006 -1.106 6.522 216 H GLN 24 H GLN 24 7.120 -1.814 3.071 217 HA GLN 24 HA GLN 24 8.306 -2.440 5.708 218 1HB GLN 24 1HB GLN 24 8.153 -4.301 3.316 219 2HB GLN 24 2HB GLN 24 9.384 -4.479 4.590 220 1HG GLN 24 1HG GLN 24 7.078 -4.167 6.068 221 2HG GLN 24 2HG GLN 24 6.483 -5.065 4.655 222 1HE2 GLN 24 1HE2 GLN 24 8.159 -5.250 7.652 223 2HE2 GLN 24 2HE2 GLN 24 8.685 -6.916 7.537 224 H PHE 25 H PHE 25 9.929 -3.502 2.839 225 HA PHE 25 HA PHE 25 12.127 -1.750 3.251 226 1HB PHE 25 1HB PHE 25 12.575 -3.774 2.153 227 2HB PHE 25 2HB PHE 25 11.222 -3.573 1.026 228 HD1 PHE 25 1HD PHE 25 11.413 -1.377 -0.505 229 HD2 PHE 25 2HD PHE 25 14.711 -3.417 1.343 230 HE1 PHE 25 1HE PHE 25 12.956 -0.407 -2.187 231 HE2 PHE 25 2HE PHE 25 16.254 -2.446 -0.339 232 HZ PHE 25 HZ PHE 25 15.377 -0.941 -2.103 233 H TRP 26 H TRP 26 9.044 -1.082 2.072 234 HA TRP 26 HA TRP 26 9.792 0.802 -0.005 235 1HB TRP 26 1HB TRP 26 7.376 -0.321 1.184 236 2HB TRP 26 2HB TRP 26 7.227 1.421 0.911 237 HD1 TRP 26 HD TRP 26 7.651 -1.883 -0.940 238 HE1 TRP 26 1HE TRP 26 7.063 -1.588 -3.401 239 HE3 TRP 26 3HE TRP 26 7.108 3.206 -1.036 240 HZ2 TRP 26 2HZ TRP 26 6.431 0.587 -5.202 241 HZ3 TRP 26 3HZ TRP 26 6.514 4.351 -3.139 242 HH2 TRP 26 HH TRP 26 6.173 3.061 -5.226 243 H VAL 27 H VAL 27 8.185 1.241 3.202 244 HA VAL 27 HA VAL 27 8.168 3.876 3.569 245 HB VAL 27 HB VAL 27 8.735 3.529 5.935 246 1HG1 VAL 27 1HG1 VAL 27 6.615 2.526 4.697 247 2HG1 VAL 27 2HG1 VAL 27 7.378 0.970 5.100 248 3HG1 VAL 27 3HG1 VAL 27 6.943 2.110 6.396 249 1HG2 VAL 27 1HG2 VAL 27 9.279 0.764 6.062 250 2HG2 VAL 27 2HG2 VAL 27 10.340 1.388 4.776 251 3HG2 VAL 27 3HG2 VAL 27 10.411 2.093 6.409 252 H LYS 28 H LYS 28 11.132 1.928 3.335 253 HA LYS 28 HA LYS 28 12.862 4.173 3.997 254 1HB LYS 28 1HB LYS 28 13.382 1.405 2.849 255 2HB LYS 28 2HB LYS 28 14.657 2.568 3.284 256 1HG LYS 28 1HG LYS 28 12.982 2.526 5.528 257 2HG LYS 28 2HG LYS 28 13.052 0.825 5.011 258 1HD LYS 28 1HD LYS 28 15.306 0.645 5.437 259 2HD LYS 28 2HD LYS 28 15.630 2.342 5.007 260 1HE LYS 28 1HE LYS 28 13.986 1.720 7.455 261 2HE LYS 28 2HE LYS 28 15.754 1.560 7.531 262 1HZ LYS 28 1HZ LYS 28 14.312 3.841 7.793 263 2HZ LYS 28 2HZ LYS 28 15.946 3.722 7.608 264 3HZ LYS 28 3HZ LYS 28 14.983 3.961 6.291 265 H VAL 29 H VAL 29 11.649 2.538 1.070 266 HA VAL 29 HA VAL 29 13.277 3.498 -0.909 267 HB VAL 29 HB VAL 29 10.254 3.257 -0.794 268 1HG1 VAL 29 1HG1 VAL 29 11.994 3.674 -3.259 269 2HG1 VAL 29 2HG1 VAL 29 10.223 3.503 -3.212 270 3HG1 VAL 29 3HG1 VAL 29 10.997 4.946 -2.514 271 1HG2 VAL 29 1HG2 VAL 29 10.623 1.176 -1.905 272 2HG2 VAL 29 2HG2 VAL 29 12.309 1.595 -2.292 273 3HG2 VAL 29 3HG2 VAL 29 11.843 1.241 -0.611 274 H GLN 30 H GLN 30 11.357 5.366 1.296 275 HA GLN 30 HA GLN 30 11.543 7.770 -0.421 276 1HB GLN 30 1HB GLN 30 9.794 8.613 0.800 277 2HB GLN 30 2HB GLN 30 9.492 6.883 1.085 278 1HG GLN 30 1HG GLN 30 10.967 7.075 3.146 279 2HG GLN 30 2HG GLN 30 10.959 8.835 2.899 280 1HE2 GLN 30 1HE2 GLN 30 9.466 9.920 4.042 281 2HE2 GLN 30 2HE2 GLN 30 7.923 9.283 4.570 282 H ARG 31 H ARG 31 12.594 6.444 2.734 283 HA ARG 31 HA ARG 31 13.952 7.488 4.343 284 1HB ARG 31 1HB ARG 31 15.415 6.033 3.088 285 2HB ARG 31 2HB ARG 31 15.593 7.242 1.794 286 1HG ARG 31 1HG ARG 31 16.257 8.502 4.288 287 2HG ARG 31 2HG ARG 31 17.146 6.962 4.192 288 1HD ARG 31 1HD ARG 31 17.493 7.845 1.653 289 2HD ARG 31 2HD ARG 31 17.357 9.406 2.490 290 HE ARG 31 HE ARG 31 19.169 7.586 3.832 291 1HH1 ARG 31 2HH2 ARG 31 18.817 9.888 1.171 292 2HH1 ARG 31 1HH2 ARG 31 20.519 10.288 1.111 293 1HH2 ARG 31 2HH1 ARG 31 21.417 8.114 3.752 294 2HH2 ARG 31 1HH1 ARG 31 22.001 9.277 2.583 295 H GLY 32 H GLY 32 12.799 9.515 4.605 296 1HA GLY 32 1HA GLY 32 13.726 11.793 2.993 297 2HA GLY 32 2HA GLY 32 12.469 11.808 4.250
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