NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504453 | 2em2 | 10167 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 11.720 -13.236 -16.318 2 HA2 GLY 1 1HA GLY 1 10.467 -14.371 -14.472 3 HA3 GLY 1 2HA GLY 1 9.502 -14.183 -15.929 4 H SER 2 H SER 2 11.305 -16.413 -13.942 5 HA SER 2 HA SER 2 10.303 -18.659 -15.555 6 HB2 SER 2 1HB SER 2 12.687 -18.298 -13.788 7 HB3 SER 2 2HB SER 2 11.995 -19.912 -13.947 8 HG SER 2 HG SER 2 12.258 -19.714 -16.211 9 H SER 3 H SER 3 10.589 -17.479 -12.227 10 HA SER 3 HA SER 3 9.188 -19.597 -11.004 11 HB2 SER 3 1HB SER 3 9.465 -16.726 -10.082 12 HB3 SER 3 2HB SER 3 8.969 -18.088 -9.076 13 HG SER 3 HG SER 3 11.252 -17.480 -8.972 14 H GLY 4 H GLY 4 7.045 -19.600 -10.112 15 HA2 GLY 4 1HA GLY 4 5.142 -18.251 -11.889 16 HA3 GLY 4 2HA GLY 4 4.799 -19.649 -10.881 17 H SER 5 H SER 5 3.271 -19.102 -9.476 18 HA SER 5 HA SER 5 3.732 -16.803 -7.740 19 HB2 SER 5 1HB SER 5 1.110 -17.216 -9.197 20 HB3 SER 5 2HB SER 5 1.462 -15.947 -8.024 21 HG SER 5 HG SER 5 1.665 -15.480 -10.400 22 H SER 6 H SER 6 3.027 -17.099 -5.681 23 HA SER 6 HA SER 6 1.419 -19.500 -5.123 24 HB2 SER 6 1HB SER 6 3.948 -18.606 -3.731 25 HB3 SER 6 2HB SER 6 2.838 -19.792 -3.045 26 HG SER 6 HG SER 6 3.288 -21.173 -4.702 27 H GLY 7 H GLY 7 2.684 -16.467 -3.750 28 HA2 GLY 7 1HA GLY 7 0.074 -16.117 -2.417 29 HA3 GLY 7 2HA GLY 7 1.577 -15.812 -1.558 30 H SER 8 H SER 8 -0.709 -14.609 -3.851 31 HA SER 8 HA SER 8 0.901 -12.203 -4.312 32 HB2 SER 8 1HB SER 8 -0.075 -13.313 -6.293 33 HB3 SER 8 2HB SER 8 -1.688 -13.071 -5.622 34 HG SER 8 HG SER 8 -0.279 -11.394 -7.096 35 H GLY 9 H GLY 9 -2.468 -13.054 -3.487 36 HA2 GLY 9 1HA GLY 9 -3.273 -12.003 -1.357 37 HA3 GLY 9 2HA GLY 9 -2.620 -10.504 -2.001 38 H GLU 10 H GLU 10 -5.332 -11.010 -1.174 39 HA GLU 10 HA GLU 10 -6.701 -10.624 -3.756 40 HB2 GLU 10 1HB GLU 10 -7.599 -12.083 -1.284 41 HB3 GLU 10 2HB GLU 10 -8.763 -11.454 -2.442 42 HG2 GLU 10 1HG GLU 10 -8.532 -13.561 -3.246 43 HG3 GLU 10 2HG GLU 10 -7.250 -12.763 -4.155 44 H LYS 11 H LYS 11 -6.271 -8.357 -3.538 45 HA LYS 11 HA LYS 11 -8.172 -7.040 -1.725 46 HB2 LYS 11 1HB LYS 11 -5.257 -6.442 -2.098 47 HB3 LYS 11 2HB LYS 11 -6.371 -5.151 -1.666 48 HG2 LYS 11 1HG LYS 11 -5.685 -5.799 0.406 49 HG3 LYS 11 2HG LYS 11 -7.091 -6.848 0.210 50 HD2 LYS 11 1HD LYS 11 -5.803 -8.731 -0.139 51 HD3 LYS 11 2HD LYS 11 -4.409 -7.802 -0.696 52 HE2 LYS 11 1HE LYS 11 -3.695 -8.446 1.388 53 HE3 LYS 11 2HE LYS 11 -4.428 -6.886 1.758 54 HZ1 LYS 11 3HZ LYS 11 -5.403 -9.587 2.368 55 HZ2 LYS 11 1HZ LYS 11 -6.530 -8.344 2.145 56 HZ3 LYS 11 2HZ LYS 11 -5.354 -8.214 3.354 57 HA PRO 12 HA PRO 12 -9.515 -5.005 -5.394 58 HB2 PRO 12 1HB PRO 12 -10.789 -2.895 -4.255 59 HB3 PRO 12 2HB PRO 12 -11.447 -4.536 -4.242 60 HG2 PRO 12 1HG PRO 12 -9.964 -3.072 -2.092 61 HG3 PRO 12 2HG PRO 12 -11.405 -4.097 -1.959 62 HD2 PRO 12 1HD PRO 12 -8.924 -4.985 -1.339 63 HD3 PRO 12 2HD PRO 12 -10.178 -6.047 -2.011 64 H PHE 13 H PHE 13 -7.694 -3.271 -2.940 65 HA PHE 13 HA PHE 13 -6.816 -1.351 -4.994 66 HB2 PHE 13 1HB PHE 13 -6.799 -1.046 -1.983 67 HB3 PHE 13 2HB PHE 13 -6.240 0.161 -3.137 68 HD1 PHE 13 HD1 PHE 13 -7.851 1.319 -4.594 69 HD2 PHE 13 HD2 PHE 13 -9.111 -1.353 -1.530 70 HE1 PHE 13 HE1 PHE 13 -10.125 2.250 -4.722 71 HE2 PHE 13 HE2 PHE 13 -11.387 -0.427 -1.654 72 HZ PHE 13 HZ PHE 13 -11.897 1.376 -3.252 73 H LYS 14 H LYS 14 -4.764 -1.415 -5.631 74 HA LYS 14 HA LYS 14 -2.758 -2.640 -3.871 75 HB2 LYS 14 1HB LYS 14 -3.319 -4.391 -5.406 76 HB3 LYS 14 2HB LYS 14 -3.246 -3.292 -6.777 77 HG2 LYS 14 1HG LYS 14 -0.836 -3.040 -6.445 78 HG3 LYS 14 2HG LYS 14 -0.913 -4.154 -5.078 79 HD2 LYS 14 1HD LYS 14 -1.921 -4.966 -7.782 80 HD3 LYS 14 2HD LYS 14 -0.203 -5.065 -7.389 81 HE2 LYS 14 1HE LYS 14 -0.863 -7.159 -6.762 82 HE3 LYS 14 2HE LYS 14 -1.124 -6.299 -5.245 83 HZ1 LYS 14 3HZ LYS 14 -2.970 -7.813 -6.401 84 HZ2 LYS 14 1HZ LYS 14 -3.361 -6.323 -7.099 85 HZ3 LYS 14 2HZ LYS 14 -3.347 -6.490 -5.416 86 H CYS 15 H CYS 15 -0.681 -1.815 -4.047 87 HA CYS 15 HA CYS 15 -0.511 0.847 -5.129 88 HB2 CYS 15 1HB CYS 15 0.522 0.058 -2.938 89 HB3 CYS 15 2HB CYS 15 1.743 -0.751 -3.916 90 H LYS 16 H LYS 16 0.314 1.444 -7.025 91 HA LYS 16 HA LYS 16 1.412 -0.604 -8.779 92 HB2 LYS 16 1HB LYS 16 0.458 2.219 -9.213 93 HB3 LYS 16 2HB LYS 16 1.326 1.336 -10.462 94 HG2 LYS 16 1HG LYS 16 -0.386 -0.304 -10.609 95 HG3 LYS 16 2HG LYS 16 -1.190 0.319 -9.166 96 HD2 LYS 16 1HD LYS 16 -2.486 1.290 -10.779 97 HD3 LYS 16 2HD LYS 16 -1.254 2.541 -10.599 98 HE2 LYS 16 1HE LYS 16 -0.101 1.800 -12.541 99 HE3 LYS 16 2HE LYS 16 -1.070 0.330 -12.633 100 HZ1 LYS 16 3HZ LYS 16 -2.597 1.387 -13.818 101 HZ2 LYS 16 1HZ LYS 16 -1.562 2.723 -13.906 102 HZ3 LYS 16 2HZ LYS 16 -2.725 2.634 -12.682 103 H GLU 17 H GLU 17 2.914 0.593 -6.472 104 HA GLU 17 HA GLU 17 5.250 1.531 -8.004 105 HB2 GLU 17 1HB GLU 17 4.194 2.453 -5.343 106 HB3 GLU 17 2HB GLU 17 5.878 2.689 -5.788 107 HG2 GLU 17 1HG GLU 17 3.610 3.651 -7.501 108 HG3 GLU 17 2HG GLU 17 4.303 4.622 -6.203 109 H CYS 18 H CYS 18 4.224 -0.058 -4.992 110 HA CYS 18 HA CYS 18 6.756 -1.565 -5.021 111 HB2 CYS 18 1HB CYS 18 6.315 -1.933 -2.578 112 HB3 CYS 18 2HB CYS 18 6.608 -0.254 -3.017 113 H GLY 19 H GLY 19 3.302 -1.857 -4.194 114 HA2 GLY 19 1HA GLY 19 2.215 -3.791 -5.405 115 HA3 GLY 19 2HA GLY 19 3.526 -4.752 -4.737 116 H LYS 20 H LYS 20 2.321 -2.253 -2.729 117 HA LYS 20 HA LYS 20 1.474 -4.112 -0.743 118 HB2 LYS 20 1HB LYS 20 2.391 -1.623 -0.575 119 HB3 LYS 20 2HB LYS 20 0.674 -1.242 -0.600 120 HG2 LYS 20 1HG LYS 20 1.607 -3.337 1.284 121 HG3 LYS 20 2HG LYS 20 1.983 -1.652 1.653 122 HD2 LYS 20 1HD LYS 20 -0.249 -1.065 1.861 123 HD3 LYS 20 2HD LYS 20 -0.803 -2.431 0.889 124 HE2 LYS 20 1HE LYS 20 -1.399 -3.077 3.027 125 HE3 LYS 20 2HE LYS 20 0.165 -3.866 2.823 126 HZ1 LYS 20 3HZ LYS 20 -0.355 -1.327 4.272 127 HZ2 LYS 20 1HZ LYS 20 1.182 -1.980 4.000 128 HZ3 LYS 20 2HZ LYS 20 0.068 -2.813 4.961 129 H ALA 21 H ALA 21 -0.601 -4.488 0.069 130 HA ALA 21 HA ALA 21 -2.770 -3.870 -1.825 131 HB1 ALA 21 3HB ALA 21 -2.491 -6.208 -1.753 132 HB2 ALA 21 1HB ALA 21 -2.339 -6.216 0.004 133 HB3 ALA 21 2HB ALA 21 -3.898 -5.870 -0.746 134 H PHE 22 H PHE 22 -4.843 -3.338 -0.999 135 HA PHE 22 HA PHE 22 -5.002 -2.646 1.837 136 HB2 PHE 22 1HB PHE 22 -5.922 -0.629 -0.185 137 HB3 PHE 22 2HB PHE 22 -5.524 -0.394 1.513 138 HD1 PHE 22 HD1 PHE 22 -4.006 -1.199 -1.778 139 HD2 PHE 22 HD2 PHE 22 -3.424 0.383 2.130 140 HE1 PHE 22 HE1 PHE 22 -1.748 -0.458 -2.417 141 HE2 PHE 22 HE2 PHE 22 -1.166 1.127 1.497 142 HZ PHE 22 HZ PHE 22 -0.326 0.708 -0.779 143 H ARG 23 H ARG 23 -7.329 -1.693 2.243 144 HA ARG 23 HA ARG 23 -9.216 -3.467 0.841 145 HB2 ARG 23 1HB ARG 23 -8.936 -2.669 3.698 146 HB3 ARG 23 2HB ARG 23 -10.558 -2.950 3.079 147 HG2 ARG 23 1HG ARG 23 -9.430 -5.168 2.174 148 HG3 ARG 23 2HG ARG 23 -8.338 -4.859 3.526 149 HD2 ARG 23 1HD ARG 23 -10.201 -4.815 5.067 150 HD3 ARG 23 2HD ARG 23 -11.343 -4.990 3.735 151 HE ARG 23 HE ARG 23 -9.834 -7.184 3.457 152 HH11 ARG 23 1HH1 ARG 23 -11.387 -5.776 6.237 153 HH12 ARG 23 2HH1 ARG 23 -11.629 -7.295 7.034 154 HH21 ARG 23 1HH2 ARG 23 -10.148 -9.190 4.496 155 HH22 ARG 23 2HH2 ARG 23 -10.923 -9.237 6.043 156 H GLN 24 H GLN 24 -8.667 -0.234 2.091 157 HA GLN 24 HA GLN 24 -11.116 0.663 0.721 158 HB2 GLN 24 1HB GLN 24 -9.719 1.703 3.173 159 HB3 GLN 24 2HB GLN 24 -10.837 2.708 2.261 160 HG2 GLN 24 1HG GLN 24 -12.203 1.840 3.884 161 HG3 GLN 24 2HG GLN 24 -12.465 0.710 2.556 162 HE21 GLN 24 1HE2 GLN 24 -13.099 -0.061 5.060 163 HE22 GLN 24 2HE2 GLN 24 -11.977 -1.243 5.634 164 H ASN 25 H ASN 25 -11.030 2.486 -0.592 165 HA ASN 25 HA ASN 25 -8.698 2.861 -2.088 166 HB2 ASN 25 1HB ASN 25 -9.871 4.787 -3.092 167 HB3 ASN 25 2HB ASN 25 -10.912 3.371 -2.982 168 HD21 ASN 25 1HD2 ASN 25 -11.414 6.330 -3.073 169 HD22 ASN 25 2HD2 ASN 25 -12.466 6.628 -1.735 170 H ILE 26 H ILE 26 -9.814 4.386 0.822 171 HA ILE 26 HA ILE 26 -8.164 6.700 0.683 172 HB ILE 26 HB ILE 26 -10.124 6.651 2.131 173 HG12 ILE 26 1HG1 ILE 26 -7.754 6.820 3.973 174 HG13 ILE 26 2HG1 ILE 26 -7.959 7.979 2.665 175 HG21 ILE 26 1HG2 ILE 26 -9.301 4.125 2.806 176 HG22 ILE 26 2HG2 ILE 26 -8.938 5.051 4.261 177 HG23 ILE 26 3HG2 ILE 26 -10.577 5.038 3.611 178 HD11 ILE 26 3HD1 ILE 26 -10.267 7.530 4.461 179 HD12 ILE 26 1HD1 ILE 26 -8.882 8.408 5.108 180 HD13 ILE 26 2HD1 ILE 26 -9.711 9.005 3.669 181 H HIS 27 H HIS 27 -7.736 3.452 1.938 182 HA HIS 27 HA HIS 27 -5.376 3.930 3.416 183 HB2 HIS 27 1HB HIS 27 -6.687 1.492 2.271 184 HB3 HIS 27 2HB HIS 27 -5.054 1.372 2.920 185 HD1 HIS 27 HD1 HIS 27 -5.176 0.431 5.193 186 HD2 HIS 27 HD2 HIS 27 -8.305 3.063 4.454 187 HE1 HIS 27 HE1 HIS 27 -6.482 0.542 7.339 188 H LEU 28 H LEU 28 -5.942 2.942 0.066 189 HA LEU 28 HA LEU 28 -3.208 2.556 -0.586 190 HB2 LEU 28 1HB LEU 28 -4.732 1.494 -1.997 191 HB3 LEU 28 2HB LEU 28 -5.711 2.948 -2.183 192 HG LEU 28 HG LEU 28 -3.732 3.914 -3.473 193 HD11 LEU 28 1HD1 LEU 28 -2.935 1.016 -3.349 194 HD12 LEU 28 2HD1 LEU 28 -1.988 2.425 -2.874 195 HD13 LEU 28 3HD1 LEU 28 -2.341 2.134 -4.577 196 HD21 LEU 28 3HD2 LEU 28 -5.684 1.872 -4.315 197 HD22 LEU 28 1HD2 LEU 28 -4.362 2.184 -5.440 198 HD23 LEU 28 2HD2 LEU 28 -5.410 3.505 -4.923 199 H ALA 29 H ALA 29 -5.456 5.242 -1.228 200 HA ALA 29 HA ALA 29 -3.658 6.933 -2.526 201 HB1 ALA 29 3HB ALA 29 -6.062 7.322 -2.515 202 HB2 ALA 29 1HB ALA 29 -6.006 7.686 -0.790 203 HB3 ALA 29 2HB ALA 29 -5.194 8.747 -1.942 204 H SER 30 H SER 30 -4.315 6.495 0.914 205 HA SER 30 HA SER 30 -2.647 8.655 1.761 206 HB2 SER 30 1HB SER 30 -4.487 7.845 3.166 207 HB3 SER 30 2HB SER 30 -3.698 6.274 3.312 208 HG SER 30 HG SER 30 -2.048 7.230 4.465 209 H HIS 31 H HIS 31 -2.064 5.458 0.729 210 HA HIS 31 HA HIS 31 0.470 5.209 2.130 211 HB2 HIS 31 1HB HIS 31 -0.620 3.142 1.952 212 HB3 HIS 31 2HB HIS 31 -1.095 3.430 0.281 213 HD1 HIS 31 HD1 HIS 31 1.852 2.390 2.367 214 HD2 HIS 31 HD2 HIS 31 0.754 2.651 -1.632 215 HE1 HIS 31 HE1 HIS 31 3.648 1.172 1.096 216 H LEU 32 H LEU 32 -0.643 5.390 -1.248 217 HA LEU 32 HA LEU 32 1.740 5.345 -2.582 218 HB2 LEU 32 1HB LEU 32 -0.667 7.072 -3.132 219 HB3 LEU 32 2HB LEU 32 0.663 6.840 -4.264 220 HG LEU 32 HG LEU 32 -0.917 4.506 -3.237 221 HD11 LEU 32 1HD1 LEU 32 -2.184 4.764 -5.450 222 HD12 LEU 32 2HD1 LEU 32 -1.658 6.446 -5.399 223 HD13 LEU 32 3HD1 LEU 32 -2.657 5.796 -4.100 224 HD21 LEU 32 3HD2 LEU 32 0.539 4.960 -5.837 225 HD22 LEU 32 1HD2 LEU 32 -0.147 3.447 -5.245 226 HD23 LEU 32 2HD2 LEU 32 1.241 4.165 -4.427 227 H ARG 33 H ARG 33 0.595 7.779 -0.440 228 HA ARG 33 HA ARG 33 2.113 9.972 -1.375 229 HB2 ARG 33 1HB ARG 33 1.522 9.660 1.534 230 HB3 ARG 33 2HB ARG 33 1.404 11.088 0.515 231 HG2 ARG 33 1HG ARG 33 -0.523 9.661 -0.615 232 HG3 ARG 33 2HG ARG 33 -0.559 8.921 0.987 233 HD2 ARG 33 1HD ARG 33 -2.119 10.720 0.998 234 HD3 ARG 33 2HD ARG 33 -0.724 11.225 1.951 235 HE ARG 33 HE ARG 33 -0.189 12.171 -0.539 236 HH11 ARG 33 1HH1 ARG 33 -2.879 12.476 1.648 237 HH12 ARG 33 2HH1 ARG 33 -3.326 14.053 1.086 238 HH21 ARG 33 1HH2 ARG 33 -0.766 14.247 -1.288 239 HH22 ARG 33 2HH2 ARG 33 -2.124 15.059 -0.584 240 H ILE 34 H ILE 34 2.804 7.372 0.907 241 HA ILE 34 HA ILE 34 5.153 8.293 2.036 242 HB ILE 34 HB ILE 34 5.704 6.043 2.567 243 HG12 ILE 34 1HG1 ILE 34 4.134 4.243 1.368 244 HG13 ILE 34 2HG1 ILE 34 4.180 5.442 0.080 245 HG21 ILE 34 1HG2 ILE 34 3.978 6.183 3.967 246 HG22 ILE 34 2HG2 ILE 34 2.968 6.973 2.757 247 HG23 ILE 34 3HG2 ILE 34 3.074 5.213 2.804 248 HD11 ILE 34 3HD1 ILE 34 6.794 5.284 0.649 249 HD12 ILE 34 1HD1 ILE 34 6.287 3.652 1.082 250 HD13 ILE 34 2HD1 ILE 34 5.988 4.266 -0.544 251 H HIS 35 H HIS 35 4.567 7.171 -1.186 252 HA HIS 35 HA HIS 35 7.306 6.641 -1.841 253 HB2 HIS 35 1HB HIS 35 4.810 6.975 -3.499 254 HB3 HIS 35 2HB HIS 35 6.392 6.706 -4.225 255 HD1 HIS 35 HD1 HIS 35 7.426 4.354 -3.974 256 HD2 HIS 35 HD2 HIS 35 3.671 4.747 -2.241 257 HE1 HIS 35 HE1 HIS 35 6.669 2.009 -3.473 258 H THR 36 H THR 36 5.124 9.382 -2.130 259 HA THR 36 HA THR 36 6.440 11.034 -3.866 260 HB THR 36 HB THR 36 4.287 11.474 -2.507 261 HG1 THR 36 HG1 THR 36 6.151 13.591 -2.935 262 HG21 THR 36 3HG2 THR 36 5.946 13.175 -0.737 263 HG22 THR 36 1HG2 THR 36 5.888 11.454 -0.359 264 HG23 THR 36 2HG2 THR 36 4.396 12.392 -0.429 265 H GLY 37 H GLY 37 8.115 12.516 -3.767 266 HA2 GLY 37 1HA GLY 37 9.881 13.694 -2.750 267 HA3 GLY 37 2HA GLY 37 9.667 12.720 -1.303 268 H GLU 38 H GLU 38 11.289 13.030 -4.329 269 HA GLU 38 HA GLU 38 12.720 10.504 -3.833 270 HB2 GLU 38 1HB GLU 38 12.448 12.051 -6.417 271 HB3 GLU 38 2HB GLU 38 13.324 10.540 -6.214 272 HG2 GLU 38 1HG GLU 38 11.386 9.298 -5.957 273 HG3 GLU 38 2HG GLU 38 10.422 10.709 -5.526 274 H LYS 39 H LYS 39 14.050 11.611 -2.264 275 HA LYS 39 HA LYS 39 16.324 12.923 -3.543 276 HB2 LYS 39 1HB LYS 39 14.751 14.075 -1.240 277 HB3 LYS 39 2HB LYS 39 16.393 14.578 -1.618 278 HG2 LYS 39 1HG LYS 39 14.127 14.725 -3.589 279 HG3 LYS 39 2HG LYS 39 14.575 16.052 -2.513 280 HD2 LYS 39 1HD LYS 39 16.649 16.346 -3.551 281 HD3 LYS 39 2HD LYS 39 16.601 14.751 -4.305 282 HE2 LYS 39 1HE LYS 39 15.119 15.433 -5.949 283 HE3 LYS 39 2HE LYS 39 14.532 16.796 -4.998 284 HZ1 LYS 39 3HZ LYS 39 16.892 16.598 -6.699 285 HZ2 LYS 39 1HZ LYS 39 17.043 17.525 -5.292 286 HZ3 LYS 39 2HZ LYS 39 15.856 17.909 -6.433 287 HA PRO 40 HA PRO 40 18.565 10.193 -0.910 288 HB2 PRO 40 1HB PRO 40 20.983 11.425 -0.992 289 HB3 PRO 40 2HB PRO 40 20.330 10.500 -2.349 290 HG2 PRO 40 1HG PRO 40 20.345 13.461 -1.908 291 HG3 PRO 40 2HG PRO 40 20.686 12.549 -3.390 292 HD2 PRO 40 1HD PRO 40 18.301 13.747 -2.934 293 HD3 PRO 40 2HD PRO 40 18.452 12.245 -3.868 294 H SER 41 H SER 41 18.382 13.623 -0.273 295 HA SER 41 HA SER 41 18.389 13.119 2.576 296 HB2 SER 41 1HB SER 41 20.164 14.765 3.061 297 HB3 SER 41 2HB SER 41 20.784 13.398 2.136 298 HG SER 41 HG SER 41 21.252 15.751 1.492 299 H GLY 42 H GLY 42 16.918 14.378 3.520 300 HA2 GLY 42 1HA GLY 42 15.718 16.526 1.959 301 HA3 GLY 42 2HA GLY 42 15.082 15.837 3.445 302 HA PRO 43 HA PRO 43 16.824 20.008 4.441 303 HB2 PRO 43 1HB PRO 43 14.719 20.774 5.974 304 HB3 PRO 43 2HB PRO 43 14.759 20.991 4.221 305 HG2 PRO 43 1HG PRO 43 13.423 18.853 5.834 306 HG3 PRO 43 2HG PRO 43 12.808 19.744 4.430 307 HD2 PRO 43 1HD PRO 43 13.812 17.236 4.239 308 HD3 PRO 43 2HD PRO 43 13.962 18.427 2.931 309 H SER 44 H SER 44 16.104 17.156 6.042 310 HA SER 44 HA SER 44 16.743 18.134 8.706 311 HB2 SER 44 1HB SER 44 14.991 16.371 8.313 312 HB3 SER 44 2HB SER 44 16.284 15.276 7.825 313 HG SER 44 HG SER 44 15.880 16.476 10.359 314 H SER 45 H SER 45 18.665 17.934 9.696 315 HA SER 45 HA SER 45 21.051 17.821 8.513 316 HB2 SER 45 1HB SER 45 22.056 17.213 10.596 317 HB3 SER 45 2HB SER 45 20.595 18.120 10.989 318 HG SER 45 HG SER 45 20.504 16.349 12.260 319 H GLY 46 H GLY 46 19.227 14.949 9.517 320 HA2 GLY 46 1HA GLY 46 19.355 12.765 8.821 321 HA3 GLY 46 2HA GLY 46 20.200 13.360 7.400 Start of MODEL 2 1 H1 GLY 1 H GLY 1 3.691 -14.029 -3.736 2 HA2 GLY 1 1HA GLY 1 2.427 -15.858 -3.165 3 HA3 GLY 1 2HA GLY 1 3.919 -16.579 -2.580 4 H SER 2 H SER 2 0.889 -15.522 -1.706 5 HA SER 2 HA SER 2 1.684 -15.208 1.113 6 HB2 SER 2 1HB SER 2 -0.510 -14.050 1.407 7 HB3 SER 2 2HB SER 2 0.575 -13.217 0.294 8 HG SER 2 HG SER 2 -1.866 -13.921 -0.194 9 H SER 3 H SER 3 0.983 -16.647 2.566 10 HA SER 3 HA SER 3 -1.054 -18.595 1.701 11 HB2 SER 3 1HB SER 3 1.471 -19.299 2.078 12 HB3 SER 3 2HB SER 3 0.976 -19.322 3.771 13 HG SER 3 HG SER 3 0.634 -21.351 2.872 14 H GLY 4 H GLY 4 -2.862 -17.846 2.678 15 HA2 GLY 4 1HA GLY 4 -3.747 -18.396 5.085 16 HA3 GLY 4 2HA GLY 4 -2.724 -17.025 5.487 17 H SER 5 H SER 5 -4.536 -15.861 6.237 18 HA SER 5 HA SER 5 -6.273 -14.398 6.084 19 HB2 SER 5 1HB SER 5 -5.019 -14.138 3.357 20 HB3 SER 5 2HB SER 5 -6.437 -13.191 3.807 21 HG SER 5 HG SER 5 -4.935 -12.786 5.790 22 H SER 6 H SER 6 -6.990 -17.059 5.822 23 HA SER 6 HA SER 6 -8.719 -17.436 3.563 24 HB2 SER 6 1HB SER 6 -8.209 -18.980 6.097 25 HB3 SER 6 2HB SER 6 -9.517 -19.430 5.003 26 HG SER 6 HG SER 6 -6.764 -19.622 4.667 27 H GLY 7 H GLY 7 -10.770 -16.820 3.341 28 HA2 GLY 7 1HA GLY 7 -12.782 -15.816 3.814 29 HA3 GLY 7 2HA GLY 7 -12.766 -16.833 5.247 30 H SER 8 H SER 8 -10.550 -14.197 4.440 31 HA SER 8 HA SER 8 -11.335 -12.888 6.947 32 HB2 SER 8 1HB SER 8 -8.969 -13.410 6.801 33 HB3 SER 8 2HB SER 8 -8.848 -12.586 5.247 34 HG SER 8 HG SER 8 -9.507 -10.653 6.406 35 H GLY 9 H GLY 9 -10.272 -11.910 3.678 36 HA2 GLY 9 1HA GLY 9 -12.501 -10.287 3.146 37 HA3 GLY 9 2HA GLY 9 -11.243 -9.279 3.847 38 H GLU 10 H GLU 10 -11.878 -8.480 1.471 39 HA GLU 10 HA GLU 10 -9.928 -9.689 -0.378 40 HB2 GLU 10 1HB GLU 10 -12.270 -9.813 -1.151 41 HB3 GLU 10 2HB GLU 10 -12.386 -8.062 -1.048 42 HG2 GLU 10 1HG GLU 10 -12.002 -8.420 -3.292 43 HG3 GLU 10 2HG GLU 10 -10.391 -8.054 -2.676 44 H LYS 11 H LYS 11 -8.587 -8.327 -1.595 45 HA LYS 11 HA LYS 11 -8.491 -5.518 -0.722 46 HB2 LYS 11 1HB LYS 11 -6.055 -7.236 -1.206 47 HB3 LYS 11 2HB LYS 11 -6.091 -5.593 -0.579 48 HG2 LYS 11 1HG LYS 11 -7.374 -6.495 1.391 49 HG3 LYS 11 2HG LYS 11 -7.000 -8.111 0.788 50 HD2 LYS 11 1HD LYS 11 -5.288 -7.734 2.304 51 HD3 LYS 11 2HD LYS 11 -4.547 -7.264 0.773 52 HE2 LYS 11 1HE LYS 11 -4.692 -4.995 1.258 53 HE3 LYS 11 2HE LYS 11 -5.950 -5.235 2.469 54 HZ1 LYS 11 3HZ LYS 11 -3.790 -6.649 3.394 55 HZ2 LYS 11 1HZ LYS 11 -4.335 -5.154 3.968 56 HZ3 LYS 11 2HZ LYS 11 -3.122 -5.217 2.791 57 HA PRO 12 HA PRO 12 -8.621 -5.801 -5.346 58 HB2 PRO 12 1HB PRO 12 -10.416 -3.787 -5.645 59 HB3 PRO 12 2HB PRO 12 -10.893 -5.465 -5.362 60 HG2 PRO 12 1HG PRO 12 -10.703 -3.196 -3.418 61 HG3 PRO 12 2HG PRO 12 -11.965 -4.432 -3.576 62 HD2 PRO 12 1HD PRO 12 -10.020 -4.567 -1.697 63 HD3 PRO 12 2HD PRO 12 -10.734 -6.014 -2.438 64 H PHE 13 H PHE 13 -7.993 -3.332 -3.010 65 HA PHE 13 HA PHE 13 -6.920 -1.491 -4.997 66 HB2 PHE 13 1HB PHE 13 -7.106 -1.264 -1.985 67 HB3 PHE 13 2HB PHE 13 -6.531 0.004 -3.062 68 HD1 PHE 13 HD1 PHE 13 -8.125 0.972 -4.750 69 HD2 PHE 13 HD2 PHE 13 -9.391 -1.556 -1.569 70 HE1 PHE 13 HE1 PHE 13 -10.430 1.787 -5.025 71 HE2 PHE 13 HE2 PHE 13 -11.698 -0.746 -1.839 72 HZ PHE 13 HZ PHE 13 -12.221 0.927 -3.569 73 H LYS 14 H LYS 14 -4.924 -1.784 -5.708 74 HA LYS 14 HA LYS 14 -2.877 -2.725 -3.808 75 HB2 LYS 14 1HB LYS 14 -3.528 -4.435 -5.529 76 HB3 LYS 14 2HB LYS 14 -2.938 -3.334 -6.767 77 HG2 LYS 14 1HG LYS 14 -0.732 -3.388 -5.403 78 HG3 LYS 14 2HG LYS 14 -1.406 -4.868 -4.716 79 HD2 LYS 14 1HD LYS 14 -0.117 -5.585 -6.543 80 HD3 LYS 14 2HD LYS 14 -1.782 -5.613 -7.129 81 HE2 LYS 14 1HE LYS 14 -1.479 -3.758 -8.471 82 HE3 LYS 14 2HE LYS 14 -0.123 -3.161 -7.516 83 HZ1 LYS 14 3HZ LYS 14 -0.079 -4.789 -9.819 84 HZ2 LYS 14 1HZ LYS 14 0.638 -5.625 -8.535 85 HZ3 LYS 14 2HZ LYS 14 1.220 -4.101 -8.982 86 H CYS 15 H CYS 15 -0.737 -1.936 -4.146 87 HA CYS 15 HA CYS 15 -0.713 0.769 -5.200 88 HB2 CYS 15 1HB CYS 15 0.313 0.031 -2.965 89 HB3 CYS 15 2HB CYS 15 1.614 -0.662 -3.928 90 H LYS 16 H LYS 16 0.001 1.292 -7.151 91 HA LYS 16 HA LYS 16 1.271 -0.717 -8.810 92 HB2 LYS 16 1HB LYS 16 -0.577 1.010 -9.480 93 HB3 LYS 16 2HB LYS 16 0.781 2.109 -9.682 94 HG2 LYS 16 1HG LYS 16 1.776 0.242 -11.160 95 HG3 LYS 16 2HG LYS 16 0.124 -0.379 -11.205 96 HD2 LYS 16 1HD LYS 16 0.644 2.502 -11.811 97 HD3 LYS 16 2HD LYS 16 0.954 1.279 -13.045 98 HE2 LYS 16 1HE LYS 16 -1.658 1.363 -11.579 99 HE3 LYS 16 2HE LYS 16 -1.365 2.413 -12.964 100 HZ1 LYS 16 3HZ LYS 16 -0.641 0.183 -14.066 101 HZ2 LYS 16 1HZ LYS 16 -2.280 0.593 -13.968 102 HZ3 LYS 16 2HZ LYS 16 -1.616 -0.508 -12.869 103 H GLU 17 H GLU 17 2.694 0.563 -6.513 104 HA GLU 17 HA GLU 17 4.996 1.612 -8.024 105 HB2 GLU 17 1HB GLU 17 3.870 2.457 -5.369 106 HB3 GLU 17 2HB GLU 17 5.555 2.754 -5.771 107 HG2 GLU 17 1HG GLU 17 3.248 3.689 -7.455 108 HG3 GLU 17 2HG GLU 17 4.012 4.664 -6.202 109 H CYS 18 H CYS 18 4.002 -0.116 -5.086 110 HA CYS 18 HA CYS 18 6.569 -1.562 -5.177 111 HB2 CYS 18 1HB CYS 18 6.315 -1.839 -2.698 112 HB3 CYS 18 2HB CYS 18 6.574 -0.177 -3.216 113 H GLY 19 H GLY 19 3.132 -1.754 -4.333 114 HA2 GLY 19 1HA GLY 19 2.089 -3.808 -5.410 115 HA3 GLY 19 2HA GLY 19 3.325 -4.693 -4.529 116 H LYS 20 H LYS 20 2.736 -2.366 -2.443 117 HA LYS 20 HA LYS 20 1.443 -3.858 -0.542 118 HB2 LYS 20 1HB LYS 20 2.541 -1.445 -0.492 119 HB3 LYS 20 2HB LYS 20 0.864 -0.931 -0.628 120 HG2 LYS 20 1HG LYS 20 1.045 -0.979 1.630 121 HG3 LYS 20 2HG LYS 20 0.560 -2.654 1.359 122 HD2 LYS 20 1HD LYS 20 3.462 -2.013 1.297 123 HD3 LYS 20 2HD LYS 20 2.650 -2.026 2.864 124 HE2 LYS 20 1HE LYS 20 2.821 -4.275 0.866 125 HE3 LYS 20 2HE LYS 20 3.557 -4.207 2.466 126 HZ1 LYS 20 3HZ LYS 20 0.737 -4.616 1.739 127 HZ2 LYS 20 1HZ LYS 20 1.117 -3.933 3.239 128 HZ3 LYS 20 2HZ LYS 20 1.694 -5.472 2.840 129 H ALA 21 H ALA 21 -0.607 -4.405 -0.057 130 HA ALA 21 HA ALA 21 -2.703 -3.521 -1.918 131 HB1 ALA 21 3HB ALA 21 -1.974 -6.061 -1.108 132 HB2 ALA 21 1HB ALA 21 -3.430 -5.721 -0.173 133 HB3 ALA 21 2HB ALA 21 -3.467 -5.614 -1.933 134 H PHE 22 H PHE 22 -4.904 -3.288 -1.005 135 HA PHE 22 HA PHE 22 -5.071 -2.646 1.819 136 HB2 PHE 22 1HB PHE 22 -5.944 -0.500 -0.085 137 HB3 PHE 22 2HB PHE 22 -5.552 -0.374 1.627 138 HD1 PHE 22 HD1 PHE 22 -4.046 -0.936 -1.715 139 HD2 PHE 22 HD2 PHE 22 -3.426 0.284 2.316 140 HE1 PHE 22 HE1 PHE 22 -1.777 -0.183 -2.296 141 HE2 PHE 22 HE2 PHE 22 -1.156 1.040 1.741 142 HZ PHE 22 HZ PHE 22 -0.329 0.807 -0.567 143 H ARG 23 H ARG 23 -7.380 -1.779 2.295 144 HA ARG 23 HA ARG 23 -9.253 -3.452 0.764 145 HB2 ARG 23 1HB ARG 23 -8.814 -3.780 3.308 146 HB3 ARG 23 2HB ARG 23 -9.829 -2.357 3.497 147 HG2 ARG 23 1HG ARG 23 -11.690 -3.458 2.496 148 HG3 ARG 23 2HG ARG 23 -10.688 -4.830 2.017 149 HD2 ARG 23 1HD ARG 23 -10.448 -5.565 4.237 150 HD3 ARG 23 2HD ARG 23 -11.017 -4.031 4.893 151 HE ARG 23 HE ARG 23 -13.039 -5.237 3.330 152 HH11 ARG 23 1HH1 ARG 23 -11.413 -5.530 6.394 153 HH12 ARG 23 2HH1 ARG 23 -12.763 -6.272 7.187 154 HH21 ARG 23 1HH2 ARG 23 -14.823 -6.214 4.363 155 HH22 ARG 23 2HH2 ARG 23 -14.702 -6.661 6.031 156 H GLN 24 H GLN 24 -8.641 -0.233 1.962 157 HA GLN 24 HA GLN 24 -11.066 0.701 0.572 158 HB2 GLN 24 1HB GLN 24 -9.698 2.060 2.897 159 HB3 GLN 24 2HB GLN 24 -11.211 2.536 2.138 160 HG2 GLN 24 1HG GLN 24 -12.076 0.237 2.841 161 HG3 GLN 24 2HG GLN 24 -10.659 0.170 3.887 162 HE21 GLN 24 1HE2 GLN 24 -13.471 0.219 4.604 163 HE22 GLN 24 2HE2 GLN 24 -13.692 1.604 5.613 164 H ASN 25 H ASN 25 -10.893 2.413 -0.821 165 HA ASN 25 HA ASN 25 -8.509 2.831 -2.174 166 HB2 ASN 25 1HB ASN 25 -9.629 4.786 -3.201 167 HB3 ASN 25 2HB ASN 25 -10.666 3.363 -3.168 168 HD21 ASN 25 1HD2 ASN 25 -11.528 6.045 -3.438 169 HD22 ASN 25 2HD2 ASN 25 -12.511 6.422 -2.068 170 H ILE 26 H ILE 26 -9.781 4.415 0.657 171 HA ILE 26 HA ILE 26 -8.131 6.708 0.619 172 HB ILE 26 HB ILE 26 -10.094 6.637 2.035 173 HG12 ILE 26 1HG1 ILE 26 -7.880 6.678 4.040 174 HG13 ILE 26 2HG1 ILE 26 -7.813 7.814 2.697 175 HG21 ILE 26 1HG2 ILE 26 -10.278 5.210 3.964 176 HG22 ILE 26 2HG2 ILE 26 -9.985 4.215 2.539 177 HG23 ILE 26 3HG2 ILE 26 -8.673 4.542 3.671 178 HD11 ILE 26 3HD1 ILE 26 -9.907 8.779 3.337 179 HD12 ILE 26 1HD1 ILE 26 -10.143 7.549 4.579 180 HD13 ILE 26 2HD1 ILE 26 -8.846 8.734 4.745 181 H HIS 27 H HIS 27 -7.717 3.480 1.988 182 HA HIS 27 HA HIS 27 -5.370 3.971 3.447 183 HB2 HIS 27 1HB HIS 27 -6.723 1.558 2.350 184 HB3 HIS 27 2HB HIS 27 -5.036 1.391 2.830 185 HD1 HIS 27 HD1 HIS 27 -4.538 1.264 5.303 186 HD2 HIS 27 HD2 HIS 27 -8.497 2.230 4.498 187 HE1 HIS 27 HE1 HIS 27 -5.727 1.125 7.514 188 H LEU 28 H LEU 28 -5.804 2.739 0.137 189 HA LEU 28 HA LEU 28 -3.083 2.465 -0.480 190 HB2 LEU 28 1HB LEU 28 -4.459 1.394 -1.975 191 HB3 LEU 28 2HB LEU 28 -5.590 2.743 -2.063 192 HG LEU 28 HG LEU 28 -3.832 3.980 -3.383 193 HD11 LEU 28 1HD1 LEU 28 -2.596 1.247 -3.654 194 HD12 LEU 28 2HD1 LEU 28 -1.947 2.532 -2.635 195 HD13 LEU 28 3HD1 LEU 28 -2.042 2.755 -4.381 196 HD21 LEU 28 3HD2 LEU 28 -5.710 3.075 -4.529 197 HD22 LEU 28 1HD2 LEU 28 -5.053 1.440 -4.445 198 HD23 LEU 28 2HD2 LEU 28 -4.276 2.651 -5.465 199 H ALA 29 H ALA 29 -5.321 5.128 -1.259 200 HA ALA 29 HA ALA 29 -3.512 6.822 -2.504 201 HB1 ALA 29 3HB ALA 29 -6.176 6.984 -1.561 202 HB2 ALA 29 1HB ALA 29 -5.314 8.409 -0.980 203 HB3 ALA 29 2HB ALA 29 -5.351 8.042 -2.705 204 H SER 30 H SER 30 -4.257 6.475 0.939 205 HA SER 30 HA SER 30 -2.631 8.621 1.817 206 HB2 SER 30 1HB SER 30 -4.331 7.829 3.299 207 HB3 SER 30 2HB SER 30 -3.710 6.180 3.234 208 HG SER 30 HG SER 30 -2.448 6.677 4.823 209 H HIS 31 H HIS 31 -1.945 5.387 0.848 210 HA HIS 31 HA HIS 31 0.637 5.293 2.160 211 HB2 HIS 31 1HB HIS 31 -0.310 3.168 2.035 212 HB3 HIS 31 2HB HIS 31 -0.918 3.425 0.402 213 HD1 HIS 31 HD1 HIS 31 2.314 2.731 2.236 214 HD2 HIS 31 HD2 HIS 31 0.734 2.547 -1.602 215 HE1 HIS 31 HE1 HIS 31 4.051 1.554 0.850 216 H LEU 32 H LEU 32 -0.566 5.425 -1.187 217 HA LEU 32 HA LEU 32 1.742 5.432 -2.618 218 HB2 LEU 32 1HB LEU 32 -0.693 7.159 -3.001 219 HB3 LEU 32 2HB LEU 32 0.599 7.023 -4.191 220 HG LEU 32 HG LEU 32 -0.993 4.654 -3.233 221 HD11 LEU 32 1HD1 LEU 32 -1.643 6.720 -5.262 222 HD12 LEU 32 2HD1 LEU 32 -2.708 5.777 -4.220 223 HD13 LEU 32 3HD1 LEU 32 -1.995 5.036 -5.652 224 HD21 LEU 32 3HD2 LEU 32 0.445 4.973 -5.843 225 HD22 LEU 32 1HD2 LEU 32 -0.037 3.495 -5.009 226 HD23 LEU 32 2HD2 LEU 32 1.302 4.460 -4.388 227 H ARG 33 H ARG 33 0.640 7.893 -0.445 228 HA ARG 33 HA ARG 33 2.220 10.040 -1.381 229 HB2 ARG 33 1HB ARG 33 1.584 9.753 1.524 230 HB3 ARG 33 2HB ARG 33 1.532 11.185 0.505 231 HG2 ARG 33 1HG ARG 33 -0.425 9.831 -0.659 232 HG3 ARG 33 2HG ARG 33 -0.513 9.087 0.939 233 HD2 ARG 33 1HD ARG 33 -0.344 12.052 0.765 234 HD3 ARG 33 2HD ARG 33 -1.871 11.276 0.348 235 HE ARG 33 HE ARG 33 -1.219 10.158 2.731 236 HH11 ARG 33 1HH1 ARG 33 -1.525 13.439 1.607 237 HH12 ARG 33 2HH1 ARG 33 -2.010 14.060 3.149 238 HH21 ARG 33 1HH2 ARG 33 -1.857 10.964 4.767 239 HH22 ARG 33 2HH2 ARG 33 -2.197 12.652 4.947 240 H ILE 34 H ILE 34 2.793 7.552 1.080 241 HA ILE 34 HA ILE 34 5.165 8.400 2.160 242 HB ILE 34 HB ILE 34 5.616 6.185 2.809 243 HG12 ILE 34 1HG1 ILE 34 4.161 4.333 1.554 244 HG13 ILE 34 2HG1 ILE 34 4.278 5.495 0.237 245 HG21 ILE 34 1HG2 ILE 34 3.666 5.607 3.869 246 HG22 ILE 34 2HG2 ILE 34 3.299 7.264 3.393 247 HG23 ILE 34 3HG2 ILE 34 2.672 5.915 2.445 248 HD11 ILE 34 3HD1 ILE 34 6.119 4.262 -0.209 249 HD12 ILE 34 1HD1 ILE 34 6.841 5.414 0.914 250 HD13 ILE 34 2HD1 ILE 34 6.366 3.812 1.478 251 H HIS 35 H HIS 35 4.588 7.195 -1.037 252 HA HIS 35 HA HIS 35 7.272 6.509 -1.678 253 HB2 HIS 35 1HB HIS 35 4.863 7.153 -3.377 254 HB3 HIS 35 2HB HIS 35 6.424 6.719 -4.068 255 HD1 HIS 35 HD1 HIS 35 6.903 4.282 -4.305 256 HD2 HIS 35 HD2 HIS 35 3.714 5.021 -1.747 257 HE1 HIS 35 HE1 HIS 35 5.936 2.024 -3.766 258 H THR 36 H THR 36 5.388 9.462 -1.856 259 HA THR 36 HA THR 36 6.666 11.112 -3.522 260 HB THR 36 HB THR 36 4.891 11.729 -1.793 261 HG1 THR 36 HG1 THR 36 5.446 13.439 -2.975 262 HG21 THR 36 3HG2 THR 36 7.334 12.399 -0.150 263 HG22 THR 36 1HG2 THR 36 6.224 11.072 0.188 264 HG23 THR 36 2HG2 THR 36 5.656 12.740 0.271 265 H GLY 37 H GLY 37 8.039 9.792 -0.588 266 HA2 GLY 37 1HA GLY 37 10.149 11.337 0.042 267 HA3 GLY 37 2HA GLY 37 10.282 9.586 -0.036 268 H GLU 38 H GLU 38 11.227 8.612 -1.840 269 HA GLU 38 HA GLU 38 12.465 10.434 -3.787 270 HB2 GLU 38 1HB GLU 38 14.017 9.631 -1.887 271 HB3 GLU 38 2HB GLU 38 13.946 8.063 -2.679 272 HG2 GLU 38 1HG GLU 38 14.695 10.499 -4.235 273 HG3 GLU 38 2HG GLU 38 15.885 9.686 -3.219 274 H LYS 39 H LYS 39 12.978 9.493 -5.820 275 HA LYS 39 HA LYS 39 11.839 6.840 -6.334 276 HB2 LYS 39 1HB LYS 39 10.770 7.712 -8.405 277 HB3 LYS 39 2HB LYS 39 10.069 8.364 -6.930 278 HG2 LYS 39 1HG LYS 39 11.741 10.321 -7.329 279 HG3 LYS 39 2HG LYS 39 11.748 9.718 -8.988 280 HD2 LYS 39 1HD LYS 39 9.340 9.974 -9.121 281 HD3 LYS 39 2HD LYS 39 9.276 10.478 -7.430 282 HE2 LYS 39 1HE LYS 39 10.846 11.946 -9.539 283 HE3 LYS 39 2HE LYS 39 9.175 12.335 -9.132 284 HZ1 LYS 39 3HZ LYS 39 10.766 13.740 -7.951 285 HZ2 LYS 39 1HZ LYS 39 11.450 12.374 -7.222 286 HZ3 LYS 39 2HZ LYS 39 9.851 12.806 -6.877 287 HA PRO 40 HA PRO 40 15.607 6.326 -8.572 288 HB2 PRO 40 1HB PRO 40 14.919 4.107 -9.978 289 HB3 PRO 40 2HB PRO 40 15.303 4.071 -8.252 290 HG2 PRO 40 1HG PRO 40 12.629 4.108 -9.598 291 HG3 PRO 40 2HG PRO 40 13.172 3.142 -8.214 292 HD2 PRO 40 1HD PRO 40 11.672 5.378 -7.931 293 HD3 PRO 40 2HD PRO 40 12.875 4.877 -6.726 294 H SER 41 H SER 41 12.498 6.513 -10.182 295 HA SER 41 HA SER 41 13.536 8.144 -12.268 296 HB2 SER 41 1HB SER 41 13.068 6.642 -14.163 297 HB3 SER 41 2HB SER 41 14.325 5.978 -13.118 298 HG SER 41 HG SER 41 13.068 4.280 -13.187 299 H GLY 42 H GLY 42 11.936 9.296 -13.257 300 HA2 GLY 42 1HA GLY 42 9.370 8.694 -13.850 301 HA3 GLY 42 2HA GLY 42 9.286 9.040 -12.129 302 HA PRO 43 HA PRO 43 9.450 12.948 -14.949 303 HB2 PRO 43 1HB PRO 43 6.823 13.300 -15.537 304 HB3 PRO 43 2HB PRO 43 7.930 12.403 -16.583 305 HG2 PRO 43 1HG PRO 43 5.955 11.369 -14.585 306 HG3 PRO 43 2HG PRO 43 6.308 10.777 -16.219 307 HD2 PRO 43 1HD PRO 43 7.299 9.592 -13.994 308 HD3 PRO 43 2HD PRO 43 8.184 9.627 -15.532 309 H SER 44 H SER 44 8.562 15.044 -14.349 310 HA SER 44 HA SER 44 6.797 15.317 -12.125 311 HB2 SER 44 1HB SER 44 9.761 15.483 -11.672 312 HB3 SER 44 2HB SER 44 8.662 16.476 -10.714 313 HG SER 44 HG SER 44 9.211 13.835 -10.505 314 H SER 45 H SER 45 6.496 17.576 -11.497 315 HA SER 45 HA SER 45 6.552 19.287 -13.779 316 HB2 SER 45 1HB SER 45 4.851 19.175 -11.779 317 HB3 SER 45 2HB SER 45 5.967 20.313 -11.024 318 HG SER 45 HG SER 45 5.703 21.647 -12.887 319 H GLY 46 H GLY 46 7.918 20.900 -14.303 320 HA2 GLY 46 1HA GLY 46 10.343 21.162 -12.702 321 HA3 GLY 46 2HA GLY 46 10.101 21.770 -14.333 Start of MODEL 3 1 H1 GLY 1 H GLY 1 19.452 -8.379 -1.329 2 HA2 GLY 1 1HA GLY 1 18.504 -9.276 -3.519 3 HA3 GLY 1 2HA GLY 1 19.781 -10.475 -3.379 4 H SER 2 H SER 2 17.662 -9.136 -0.869 5 HA SER 2 HA SER 2 16.126 -11.575 -0.703 6 HB2 SER 2 1HB SER 2 18.082 -10.809 1.471 7 HB3 SER 2 2HB SER 2 16.745 -11.931 1.723 8 HG SER 2 HG SER 2 18.833 -12.230 -0.179 9 H SER 3 H SER 3 14.136 -10.814 -0.499 10 HA SER 3 HA SER 3 13.586 -8.814 1.566 11 HB2 SER 3 1HB SER 3 13.105 -8.508 -1.360 12 HB3 SER 3 2HB SER 3 11.877 -7.887 -0.258 13 HG SER 3 HG SER 3 13.144 -6.226 -0.090 14 H GLY 4 H GLY 4 11.604 -9.016 2.551 15 HA2 GLY 4 1HA GLY 4 10.317 -11.561 2.302 16 HA3 GLY 4 2HA GLY 4 9.836 -10.251 3.370 17 H SER 5 H SER 5 8.924 -8.286 2.064 18 HA SER 5 HA SER 5 7.270 -7.437 0.748 19 HB2 SER 5 1HB SER 5 8.683 -8.714 -1.038 20 HB3 SER 5 2HB SER 5 7.351 -9.869 -1.013 21 HG SER 5 HG SER 5 6.689 -7.175 -1.231 22 H SER 6 H SER 6 6.548 -8.833 3.017 23 HA SER 6 HA SER 6 4.591 -10.822 2.590 24 HB2 SER 6 1HB SER 6 3.888 -10.323 4.918 25 HB3 SER 6 2HB SER 6 5.634 -10.523 4.773 26 HG SER 6 HG SER 6 5.896 -8.524 5.366 27 H GLY 7 H GLY 7 2.250 -10.478 3.326 28 HA2 GLY 7 1HA GLY 7 0.665 -8.404 3.437 29 HA3 GLY 7 2HA GLY 7 1.191 -8.230 1.769 30 H SER 8 H SER 8 -0.951 -8.488 1.035 31 HA SER 8 HA SER 8 -1.728 -11.279 0.764 32 HB2 SER 8 1HB SER 8 -2.927 -10.367 2.789 33 HB3 SER 8 2HB SER 8 -3.741 -9.230 1.713 34 HG SER 8 HG SER 8 -5.044 -10.770 1.160 35 H GLY 9 H GLY 9 -2.942 -11.712 -1.078 36 HA2 GLY 9 1HA GLY 9 -3.119 -9.450 -2.966 37 HA3 GLY 9 2HA GLY 9 -2.854 -11.123 -3.433 38 H GLU 10 H GLU 10 -5.236 -9.625 -1.254 39 HA GLU 10 HA GLU 10 -7.360 -10.620 -3.030 40 HB2 GLU 10 1HB GLU 10 -7.115 -10.955 -0.048 41 HB3 GLU 10 2HB GLU 10 -8.670 -11.050 -0.864 42 HG2 GLU 10 1HG GLU 10 -6.332 -12.758 -1.649 43 HG3 GLU 10 2HG GLU 10 -7.485 -13.234 -0.403 44 H LYS 11 H LYS 11 -6.054 -7.945 -2.391 45 HA LYS 11 HA LYS 11 -8.449 -6.491 -1.495 46 HB2 LYS 11 1HB LYS 11 -5.528 -5.960 -1.310 47 HB3 LYS 11 2HB LYS 11 -6.591 -4.571 -1.496 48 HG2 LYS 11 1HG LYS 11 -6.312 -4.812 0.809 49 HG3 LYS 11 2HG LYS 11 -7.899 -5.510 0.474 50 HD2 LYS 11 1HD LYS 11 -7.007 -7.736 0.580 51 HD3 LYS 11 2HD LYS 11 -5.358 -7.119 0.701 52 HE2 LYS 11 1HE LYS 11 -5.601 -6.512 2.892 53 HE3 LYS 11 2HE LYS 11 -7.336 -6.236 2.736 54 HZ1 LYS 11 3HZ LYS 11 -6.192 -8.956 2.574 55 HZ2 LYS 11 1HZ LYS 11 -7.786 -8.498 2.912 56 HZ3 LYS 11 2HZ LYS 11 -6.573 -8.251 4.064 57 HA PRO 12 HA PRO 12 -9.132 -4.992 -5.578 58 HB2 PRO 12 1HB PRO 12 -10.523 -2.738 -4.983 59 HB3 PRO 12 2HB PRO 12 -11.212 -4.359 -4.836 60 HG2 PRO 12 1HG PRO 12 -10.061 -2.590 -2.713 61 HG3 PRO 12 2HG PRO 12 -11.528 -3.585 -2.666 62 HD2 PRO 12 1HD PRO 12 -9.199 -4.368 -1.528 63 HD3 PRO 12 2HD PRO 12 -10.353 -5.520 -2.231 64 H PHE 13 H PHE 13 -7.650 -2.946 -3.145 65 HA PHE 13 HA PHE 13 -6.564 -1.199 -5.239 66 HB2 PHE 13 1HB PHE 13 -6.515 -0.827 -2.237 67 HB3 PHE 13 2HB PHE 13 -5.999 0.349 -3.441 68 HD1 PHE 13 HD1 PHE 13 -7.703 1.343 -4.980 69 HD2 PHE 13 HD2 PHE 13 -8.767 -1.011 -1.597 70 HE1 PHE 13 HE1 PHE 13 -9.984 2.262 -5.062 71 HE2 PHE 13 HE2 PHE 13 -11.049 -0.096 -1.674 72 HZ PHE 13 HZ PHE 13 -11.661 1.542 -3.408 73 H LYS 14 H LYS 14 -4.527 -1.417 -5.877 74 HA LYS 14 HA LYS 14 -2.590 -2.673 -4.057 75 HB2 LYS 14 1HB LYS 14 -3.349 -4.351 -5.693 76 HB3 LYS 14 2HB LYS 14 -2.880 -3.279 -7.006 77 HG2 LYS 14 1HG LYS 14 -0.826 -4.031 -4.994 78 HG3 LYS 14 2HG LYS 14 -1.315 -5.229 -6.194 79 HD2 LYS 14 1HD LYS 14 -0.671 -2.482 -7.137 80 HD3 LYS 14 2HD LYS 14 0.665 -3.525 -6.644 81 HE2 LYS 14 1HE LYS 14 -0.099 -5.241 -8.211 82 HE3 LYS 14 2HE LYS 14 -1.440 -4.205 -8.696 83 HZ1 LYS 14 3HZ LYS 14 1.180 -4.234 -9.690 84 HZ2 LYS 14 1HZ LYS 14 0.920 -2.735 -8.950 85 HZ3 LYS 14 2HZ LYS 14 -0.117 -3.263 -10.178 86 H CYS 15 H CYS 15 -0.912 -1.383 -3.731 87 HA CYS 15 HA CYS 15 -0.500 1.051 -5.018 88 HB2 CYS 15 1HB CYS 15 0.420 0.275 -2.769 89 HB3 CYS 15 2HB CYS 15 1.689 -0.536 -3.681 90 H LYS 16 H LYS 16 0.337 1.584 -6.919 91 HA LYS 16 HA LYS 16 1.545 -0.474 -8.574 92 HB2 LYS 16 1HB LYS 16 -0.203 1.402 -9.238 93 HB3 LYS 16 2HB LYS 16 1.254 2.355 -9.484 94 HG2 LYS 16 1HG LYS 16 2.032 0.931 -11.178 95 HG3 LYS 16 2HG LYS 16 0.888 -0.342 -10.745 96 HD2 LYS 16 1HD LYS 16 -0.096 2.340 -11.641 97 HD3 LYS 16 2HD LYS 16 0.421 1.138 -12.826 98 HE2 LYS 16 1HE LYS 16 -1.159 -0.472 -11.685 99 HE3 LYS 16 2HE LYS 16 -1.790 0.912 -10.795 100 HZ1 LYS 16 3HZ LYS 16 -2.585 0.053 -13.280 101 HZ2 LYS 16 1HZ LYS 16 -1.675 1.446 -13.585 102 HZ3 LYS 16 2HZ LYS 16 -3.000 1.515 -12.537 103 H GLU 17 H GLU 17 2.958 0.710 -6.228 104 HA GLU 17 HA GLU 17 5.348 1.662 -7.665 105 HB2 GLU 17 1HB GLU 17 4.173 2.583 -5.056 106 HB3 GLU 17 2HB GLU 17 5.882 2.801 -5.405 107 HG2 GLU 17 1HG GLU 17 3.764 3.774 -7.285 108 HG3 GLU 17 2HG GLU 17 4.293 4.735 -5.906 109 H CYS 18 H CYS 18 4.161 -0.016 -4.772 110 HA CYS 18 HA CYS 18 6.709 -1.496 -4.685 111 HB2 CYS 18 1HB CYS 18 6.267 -1.843 -2.277 112 HB3 CYS 18 2HB CYS 18 6.412 -0.138 -2.689 113 H GLY 19 H GLY 19 3.212 -1.761 -4.098 114 HA2 GLY 19 1HA GLY 19 2.132 -3.663 -5.291 115 HA3 GLY 19 2HA GLY 19 3.449 -4.651 -4.674 116 H LYS 20 H LYS 20 2.001 -2.179 -2.702 117 HA LYS 20 HA LYS 20 1.218 -4.165 -0.757 118 HB2 LYS 20 1HB LYS 20 2.230 -1.739 -0.419 119 HB3 LYS 20 2HB LYS 20 0.534 -1.277 -0.445 120 HG2 LYS 20 1HG LYS 20 1.338 -3.522 1.322 121 HG3 LYS 20 2HG LYS 20 1.783 -1.881 1.798 122 HD2 LYS 20 1HD LYS 20 -0.463 -1.186 1.893 123 HD3 LYS 20 2HD LYS 20 -1.023 -2.599 0.995 124 HE2 LYS 20 1HE LYS 20 0.155 -2.626 3.773 125 HE3 LYS 20 2HE LYS 20 -1.558 -2.760 3.383 126 HZ1 LYS 20 3HZ LYS 20 0.487 -4.766 3.318 127 HZ2 LYS 20 1HZ LYS 20 -0.403 -4.707 1.880 128 HZ3 LYS 20 2HZ LYS 20 -1.196 -4.942 3.356 129 H ALA 21 H ALA 21 -0.872 -4.520 0.024 130 HA ALA 21 HA ALA 21 -3.002 -3.760 -1.856 131 HB1 ALA 21 3HB ALA 21 -3.918 -5.789 -0.127 132 HB2 ALA 21 1HB ALA 21 -3.536 -5.912 -1.845 133 HB3 ALA 21 2HB ALA 21 -2.292 -6.243 -0.638 134 H PHE 22 H PHE 22 -4.936 -2.914 -1.124 135 HA PHE 22 HA PHE 22 -5.133 -2.291 1.738 136 HB2 PHE 22 1HB PHE 22 -5.903 -0.248 -0.325 137 HB3 PHE 22 2HB PHE 22 -5.562 -0.015 1.387 138 HD1 PHE 22 HD1 PHE 22 -3.976 -0.861 -1.855 139 HD2 PHE 22 HD2 PHE 22 -3.432 0.603 2.104 140 HE1 PHE 22 HE1 PHE 22 -1.662 -0.236 -2.408 141 HE2 PHE 22 HE2 PHE 22 -1.117 1.231 1.557 142 HZ PHE 22 HZ PHE 22 -0.229 0.812 -0.702 143 H ARG 23 H ARG 23 -7.148 -2.426 2.588 144 HA ARG 23 HA ARG 23 -9.155 -3.778 1.105 145 HB2 ARG 23 1HB ARG 23 -10.537 -3.478 3.147 146 HB3 ARG 23 2HB ARG 23 -8.950 -4.160 3.479 147 HG2 ARG 23 1HG ARG 23 -8.213 -1.801 4.043 148 HG3 ARG 23 2HG ARG 23 -9.925 -1.373 4.015 149 HD2 ARG 23 1HD ARG 23 -9.652 -1.861 6.237 150 HD3 ARG 23 2HD ARG 23 -10.139 -3.439 5.619 151 HE ARG 23 HE ARG 23 -7.462 -3.562 5.449 152 HH11 ARG 23 1HH1 ARG 23 -9.600 -2.612 8.027 153 HH12 ARG 23 2HH1 ARG 23 -8.524 -3.126 9.284 154 HH21 ARG 23 1HH2 ARG 23 -6.037 -4.242 7.095 155 HH22 ARG 23 2HH2 ARG 23 -6.497 -4.052 8.753 156 H GLN 24 H GLN 24 -8.677 -0.429 2.074 157 HA GLN 24 HA GLN 24 -11.008 0.306 0.428 158 HB2 GLN 24 1HB GLN 24 -9.986 1.677 2.921 159 HB3 GLN 24 2HB GLN 24 -11.283 2.283 1.899 160 HG2 GLN 24 1HG GLN 24 -11.451 -0.442 3.116 161 HG3 GLN 24 2HG GLN 24 -11.869 0.992 4.051 162 HE21 GLN 24 1HE2 GLN 24 -13.315 2.550 2.689 163 HE22 GLN 24 2HE2 GLN 24 -14.679 1.794 1.944 164 H ASN 25 H ASN 25 -10.876 2.437 -0.585 165 HA ASN 25 HA ASN 25 -8.434 2.798 -1.950 166 HB2 ASN 25 1HB ASN 25 -9.545 4.956 -2.740 167 HB3 ASN 25 2HB ASN 25 -10.400 3.457 -3.093 168 HD21 ASN 25 1HD2 ASN 25 -10.838 6.514 -2.131 169 HD22 ASN 25 2HD2 ASN 25 -12.279 6.343 -1.193 170 H ILE 26 H ILE 26 -9.968 4.604 0.686 171 HA ILE 26 HA ILE 26 -8.323 6.769 0.926 172 HB ILE 26 HB ILE 26 -10.247 6.414 2.387 173 HG12 ILE 26 1HG1 ILE 26 -7.820 6.624 4.159 174 HG13 ILE 26 2HG1 ILE 26 -8.236 7.894 3.013 175 HG21 ILE 26 1HG2 ILE 26 -8.644 4.555 4.093 176 HG22 ILE 26 2HG2 ILE 26 -10.389 4.797 4.034 177 HG23 ILE 26 3HG2 ILE 26 -9.574 3.931 2.731 178 HD11 ILE 26 3HD1 ILE 26 -9.020 8.090 5.458 179 HD12 ILE 26 1HD1 ILE 26 -10.151 8.478 4.162 180 HD13 ILE 26 2HD1 ILE 26 -10.254 6.922 4.986 181 H HIS 27 H HIS 27 -7.746 3.542 2.307 182 HA HIS 27 HA HIS 27 -5.316 4.104 3.565 183 HB2 HIS 27 1HB HIS 27 -6.613 1.614 2.536 184 HB3 HIS 27 2HB HIS 27 -4.930 1.544 3.050 185 HD1 HIS 27 HD1 HIS 27 -7.253 0.053 4.525 186 HD2 HIS 27 HD2 HIS 27 -5.661 3.724 5.645 187 HE1 HIS 27 HE1 HIS 27 -7.767 0.289 6.976 188 H LEU 28 H LEU 28 -5.892 2.710 0.336 189 HA LEU 28 HA LEU 28 -3.246 2.483 -0.472 190 HB2 LEU 28 1HB LEU 28 -4.821 1.449 -1.836 191 HB3 LEU 28 2HB LEU 28 -5.815 2.900 -1.950 192 HG LEU 28 HG LEU 28 -4.037 3.919 -3.376 193 HD11 LEU 28 1HD1 LEU 28 -2.225 2.704 -4.175 194 HD12 LEU 28 2HD1 LEU 28 -2.916 1.159 -3.684 195 HD13 LEU 28 3HD1 LEU 28 -2.284 2.267 -2.467 196 HD21 LEU 28 3HD2 LEU 28 -4.930 3.042 -5.285 197 HD22 LEU 28 1HD2 LEU 28 -6.106 2.450 -4.111 198 HD23 LEU 28 2HD2 LEU 28 -4.834 1.380 -4.702 199 H ALA 29 H ALA 29 -5.490 5.186 -1.077 200 HA ALA 29 HA ALA 29 -3.688 6.862 -2.392 201 HB1 ALA 29 3HB ALA 29 -6.110 7.502 -0.723 202 HB2 ALA 29 1HB ALA 29 -5.217 8.710 -1.648 203 HB3 ALA 29 2HB ALA 29 -6.008 7.370 -2.479 204 H SER 30 H SER 30 -4.258 6.346 1.038 205 HA SER 30 HA SER 30 -2.613 8.539 1.882 206 HB2 SER 30 1HB SER 30 -3.745 6.170 3.385 207 HB3 SER 30 2HB SER 30 -2.848 7.484 4.147 208 HG SER 30 HG SER 30 -5.290 7.694 2.715 209 H HIS 31 H HIS 31 -2.007 5.404 0.753 210 HA HIS 31 HA HIS 31 0.558 5.181 2.132 211 HB2 HIS 31 1HB HIS 31 -0.604 3.118 2.079 212 HB3 HIS 31 2HB HIS 31 -1.017 3.304 0.377 213 HD1 HIS 31 HD1 HIS 31 1.632 2.059 2.640 214 HD2 HIS 31 HD2 HIS 31 1.115 2.739 -1.426 215 HE1 HIS 31 HE1 HIS 31 3.524 0.848 1.510 216 H LEU 32 H LEU 32 -0.766 5.495 -1.133 217 HA LEU 32 HA LEU 32 1.485 5.255 -2.673 218 HB2 LEU 32 1HB LEU 32 -0.835 7.150 -2.943 219 HB3 LEU 32 2HB LEU 32 0.410 6.978 -4.178 220 HG LEU 32 HG LEU 32 -1.401 4.756 -3.236 221 HD11 LEU 32 1HD1 LEU 32 -2.714 5.082 -5.142 222 HD12 LEU 32 2HD1 LEU 32 -1.531 6.157 -5.885 223 HD13 LEU 32 3HD1 LEU 32 -2.469 6.704 -4.496 224 HD21 LEU 32 3HD2 LEU 32 1.045 4.713 -4.638 225 HD22 LEU 32 1HD2 LEU 32 -0.228 4.374 -5.811 226 HD23 LEU 32 2HD2 LEU 32 -0.077 3.379 -4.362 227 H ARG 33 H ARG 33 0.447 8.061 -0.796 228 HA ARG 33 HA ARG 33 2.258 9.950 -1.701 229 HB2 ARG 33 1HB ARG 33 1.892 11.122 0.363 230 HB3 ARG 33 2HB ARG 33 0.378 10.363 -0.110 231 HG2 ARG 33 1HG ARG 33 0.759 8.571 1.493 232 HG3 ARG 33 2HG ARG 33 2.298 9.303 1.953 233 HD2 ARG 33 1HD ARG 33 -0.191 10.938 2.100 234 HD3 ARG 33 2HD ARG 33 0.121 9.739 3.355 235 HE ARG 33 HE ARG 33 2.434 11.068 3.310 236 HH11 ARG 33 1HH1 ARG 33 -0.857 12.203 3.352 237 HH12 ARG 33 2HH1 ARG 33 -0.481 13.662 4.207 238 HH21 ARG 33 1HH2 ARG 33 2.941 12.985 4.438 239 HH22 ARG 33 2HH2 ARG 33 1.680 14.106 4.824 240 H ILE 34 H ILE 34 2.746 7.240 0.442 241 HA ILE 34 HA ILE 34 5.179 8.006 1.609 242 HB ILE 34 HB ILE 34 5.441 5.793 2.310 243 HG12 ILE 34 1HG1 ILE 34 3.875 4.026 1.029 244 HG13 ILE 34 2HG1 ILE 34 4.166 5.149 -0.295 245 HG21 ILE 34 1HG2 ILE 34 2.690 5.175 2.211 246 HG22 ILE 34 2HG2 ILE 34 3.594 5.917 3.530 247 HG23 ILE 34 3HG2 ILE 34 2.826 6.931 2.307 248 HD11 ILE 34 3HD1 ILE 34 5.773 3.059 0.411 249 HD12 ILE 34 1HD1 ILE 34 6.256 4.441 -0.572 250 HD13 ILE 34 2HD1 ILE 34 6.582 4.434 1.161 251 H HIS 35 H HIS 35 4.458 7.281 -1.605 252 HA HIS 35 HA HIS 35 7.257 6.603 -2.204 253 HB2 HIS 35 1HB HIS 35 4.719 6.176 -3.784 254 HB3 HIS 35 2HB HIS 35 6.327 5.932 -4.461 255 HD1 HIS 35 HD1 HIS 35 7.828 4.161 -2.894 256 HD2 HIS 35 HD2 HIS 35 3.683 3.910 -2.756 257 HE1 HIS 35 HE1 HIS 35 7.322 1.864 -2.003 258 H THR 36 H THR 36 4.753 8.951 -2.679 259 HA THR 36 HA THR 36 5.619 10.326 -4.913 260 HB THR 36 HB THR 36 4.526 12.308 -4.002 261 HG1 THR 36 HG1 THR 36 3.971 10.962 -1.593 262 HG21 THR 36 3HG2 THR 36 3.019 10.713 -4.914 263 HG22 THR 36 1HG2 THR 36 2.309 11.256 -3.394 264 HG23 THR 36 2HG2 THR 36 3.122 9.693 -3.478 265 H GLY 37 H GLY 37 7.068 11.982 -5.305 266 HA2 GLY 37 1HA GLY 37 8.964 12.586 -3.123 267 HA3 GLY 37 2HA GLY 37 9.524 12.187 -4.740 268 H GLU 38 H GLU 38 10.623 14.221 -4.769 269 HA GLU 38 HA GLU 38 9.069 16.652 -4.661 270 HB2 GLU 38 1HB GLU 38 11.931 16.318 -5.564 271 HB3 GLU 38 2HB GLU 38 11.148 17.801 -5.037 272 HG2 GLU 38 1HG GLU 38 11.236 15.521 -3.141 273 HG3 GLU 38 2HG GLU 38 12.726 16.411 -3.447 274 H LYS 39 H LYS 39 8.860 14.414 -6.813 275 HA LYS 39 HA LYS 39 9.124 16.154 -9.172 276 HB2 LYS 39 1HB LYS 39 9.070 14.092 -10.504 277 HB3 LYS 39 2HB LYS 39 10.379 14.065 -9.329 278 HG2 LYS 39 1HG LYS 39 8.660 12.794 -7.847 279 HG3 LYS 39 2HG LYS 39 7.852 12.482 -9.385 280 HD2 LYS 39 1HD LYS 39 9.233 10.653 -9.256 281 HD3 LYS 39 2HD LYS 39 10.268 11.775 -10.142 282 HE2 LYS 39 1HE LYS 39 10.381 11.743 -7.163 283 HE3 LYS 39 2HE LYS 39 11.175 10.450 -8.061 284 HZ1 LYS 39 3HZ LYS 39 11.900 13.242 -7.811 285 HZ2 LYS 39 1HZ LYS 39 12.039 12.610 -9.374 286 HZ3 LYS 39 2HZ LYS 39 12.876 11.889 -8.094 287 HA PRO 40 HA PRO 40 4.753 16.436 -9.556 288 HB2 PRO 40 1HB PRO 40 4.544 16.802 -12.238 289 HB3 PRO 40 2HB PRO 40 5.138 18.054 -11.141 290 HG2 PRO 40 1HG PRO 40 6.684 16.170 -12.879 291 HG3 PRO 40 2HG PRO 40 6.945 17.901 -12.598 292 HD2 PRO 40 1HD PRO 40 8.406 15.988 -11.359 293 HD3 PRO 40 2HD PRO 40 8.021 17.542 -10.592 294 H SER 41 H SER 41 3.679 14.580 -9.151 295 HA SER 41 HA SER 41 4.034 12.128 -10.429 296 HB2 SER 41 1HB SER 41 2.790 12.655 -8.236 297 HB3 SER 41 2HB SER 41 1.393 12.988 -9.259 298 HG SER 41 HG SER 41 2.831 10.554 -9.035 299 H GLY 42 H GLY 42 3.916 11.960 -12.593 300 HA2 GLY 42 1HA GLY 42 2.678 11.544 -14.541 301 HA3 GLY 42 2HA GLY 42 1.319 12.406 -13.834 302 HA PRO 43 HA PRO 43 3.511 15.042 -17.054 303 HB2 PRO 43 1HB PRO 43 1.388 15.302 -18.726 304 HB3 PRO 43 2HB PRO 43 2.557 13.982 -18.854 305 HG2 PRO 43 1HG PRO 43 -0.157 13.994 -17.589 306 HG3 PRO 43 2HG PRO 43 0.590 12.762 -18.624 307 HD2 PRO 43 1HD PRO 43 0.477 12.527 -15.929 308 HD3 PRO 43 2HD PRO 43 1.817 11.868 -16.889 309 H SER 44 H SER 44 0.827 15.171 -14.986 310 HA SER 44 HA SER 44 -0.091 17.800 -15.618 311 HB2 SER 44 1HB SER 44 -0.451 16.216 -13.062 312 HB3 SER 44 2HB SER 44 -1.381 17.633 -13.547 313 HG SER 44 HG SER 44 -2.431 15.618 -14.011 314 H SER 45 H SER 45 0.753 19.694 -15.059 315 HA SER 45 HA SER 45 2.590 19.811 -12.766 316 HB2 SER 45 1HB SER 45 3.090 20.622 -15.590 317 HB3 SER 45 2HB SER 45 3.750 21.648 -14.316 318 HG SER 45 HG SER 45 4.967 19.660 -15.198 319 H GLY 46 H GLY 46 1.351 20.926 -11.360 320 HA2 GLY 46 1HA GLY 46 -0.250 23.178 -12.256 321 HA3 GLY 46 2HA GLY 46 -0.183 22.528 -10.625 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -21.068 -23.780 -5.372 2 HA2 GLY 1 1HA GLY 1 -21.421 -21.606 -6.516 3 HA3 GLY 1 2HA GLY 1 -20.804 -20.853 -5.053 4 H SER 2 H SER 2 -19.739 -20.353 -7.587 5 HA SER 2 HA SER 2 -16.984 -21.038 -7.105 6 HB2 SER 2 1HB SER 2 -18.382 -22.047 -9.592 7 HB3 SER 2 2HB SER 2 -16.632 -22.009 -9.382 8 HG SER 2 HG SER 2 -17.545 -24.048 -8.842 9 H SER 3 H SER 3 -16.207 -19.027 -7.183 10 HA SER 3 HA SER 3 -16.584 -17.502 -9.655 11 HB2 SER 3 1HB SER 3 -17.332 -16.636 -6.899 12 HB3 SER 3 2HB SER 3 -16.629 -15.434 -7.981 13 HG SER 3 HG SER 3 -18.325 -15.614 -9.316 14 H GLY 4 H GLY 4 -15.084 -15.444 -9.498 15 HA2 GLY 4 1HA GLY 4 -12.457 -16.271 -9.584 16 HA3 GLY 4 2HA GLY 4 -12.951 -14.602 -9.338 17 H SER 5 H SER 5 -13.821 -14.281 -6.954 18 HA SER 5 HA SER 5 -11.582 -14.597 -5.268 19 HB2 SER 5 1HB SER 5 -13.153 -13.751 -3.475 20 HB3 SER 5 2HB SER 5 -13.029 -12.724 -4.903 21 HG SER 5 HG SER 5 -15.011 -14.679 -4.909 22 H SER 6 H SER 6 -11.431 -15.750 -3.263 23 HA SER 6 HA SER 6 -12.996 -18.248 -3.265 24 HB2 SER 6 1HB SER 6 -10.415 -18.253 -3.719 25 HB3 SER 6 2HB SER 6 -10.297 -18.040 -1.972 26 HG SER 6 HG SER 6 -11.933 -20.061 -3.046 27 H GLY 7 H GLY 7 -14.039 -16.037 -1.988 28 HA2 GLY 7 1HA GLY 7 -15.163 -15.752 0.030 29 HA3 GLY 7 2HA GLY 7 -14.172 -17.023 0.732 30 H SER 8 H SER 8 -13.519 -16.015 2.570 31 HA SER 8 HA SER 8 -12.913 -13.423 3.067 32 HB2 SER 8 1HB SER 8 -11.671 -15.954 4.107 33 HB3 SER 8 2HB SER 8 -11.094 -14.382 4.660 34 HG SER 8 HG SER 8 -13.327 -15.728 5.364 35 H GLY 9 H GLY 9 -11.303 -11.990 2.670 36 HA2 GLY 9 1HA GLY 9 -9.047 -11.414 2.122 37 HA3 GLY 9 2HA GLY 9 -8.892 -12.954 1.291 38 H GLU 10 H GLU 10 -9.652 -9.641 0.994 39 HA GLU 10 HA GLU 10 -9.768 -9.883 -1.880 40 HB2 GLU 10 1HB GLU 10 -12.106 -10.220 -1.379 41 HB3 GLU 10 2HB GLU 10 -12.123 -8.821 -0.316 42 HG2 GLU 10 1HG GLU 10 -13.179 -8.303 -2.427 43 HG3 GLU 10 2HG GLU 10 -11.705 -7.358 -2.224 44 H LYS 11 H LYS 11 -8.163 -8.500 -2.303 45 HA LYS 11 HA LYS 11 -8.447 -5.743 -1.331 46 HB2 LYS 11 1HB LYS 11 -5.744 -7.040 -1.564 47 HB3 LYS 11 2HB LYS 11 -6.179 -5.554 -0.729 48 HG2 LYS 11 1HG LYS 11 -7.402 -8.088 0.215 49 HG3 LYS 11 2HG LYS 11 -5.697 -7.798 0.571 50 HD2 LYS 11 1HD LYS 11 -6.639 -5.432 1.306 51 HD3 LYS 11 2HD LYS 11 -8.118 -6.367 1.537 52 HE2 LYS 11 1HE LYS 11 -6.959 -6.365 3.613 53 HE3 LYS 11 2HE LYS 11 -6.768 -7.973 2.915 54 HZ1 LYS 11 3HZ LYS 11 -4.566 -7.360 2.163 55 HZ2 LYS 11 1HZ LYS 11 -4.692 -7.126 3.834 56 HZ3 LYS 11 2HZ LYS 11 -4.749 -5.798 2.787 57 HA PRO 12 HA PRO 12 -7.973 -5.843 -5.919 58 HB2 PRO 12 1HB PRO 12 -9.785 -3.870 -6.364 59 HB3 PRO 12 2HB PRO 12 -10.239 -5.569 -6.184 60 HG2 PRO 12 1HG PRO 12 -10.340 -3.358 -4.168 61 HG3 PRO 12 2HG PRO 12 -11.537 -4.622 -4.503 62 HD2 PRO 12 1HD PRO 12 -9.814 -4.763 -2.420 63 HD3 PRO 12 2HD PRO 12 -10.395 -6.205 -3.278 64 H PHE 13 H PHE 13 -7.574 -3.515 -3.432 65 HA PHE 13 HA PHE 13 -6.436 -1.512 -5.216 66 HB2 PHE 13 1HB PHE 13 -6.504 -1.381 -2.206 67 HB3 PHE 13 2HB PHE 13 -6.401 -0.049 -3.353 68 HD1 PHE 13 HD1 PHE 13 -8.625 -1.530 -5.128 69 HD2 PHE 13 HD2 PHE 13 -8.354 -0.169 -1.105 70 HE1 PHE 13 HE1 PHE 13 -11.072 -1.276 -5.053 71 HE2 PHE 13 HE2 PHE 13 -10.799 0.086 -1.022 72 HZ PHE 13 HZ PHE 13 -12.162 -0.468 -2.997 73 H LYS 14 H LYS 14 -4.478 -2.102 -5.949 74 HA LYS 14 HA LYS 14 -2.451 -2.848 -3.944 75 HB2 LYS 14 1HB LYS 14 -3.090 -4.029 -6.591 76 HB3 LYS 14 2HB LYS 14 -1.386 -3.882 -6.184 77 HG2 LYS 14 1HG LYS 14 -2.176 -4.998 -3.933 78 HG3 LYS 14 2HG LYS 14 -3.494 -5.574 -4.955 79 HD2 LYS 14 1HD LYS 14 -1.956 -6.644 -6.446 80 HD3 LYS 14 2HD LYS 14 -0.575 -5.907 -5.632 81 HE2 LYS 14 1HE LYS 14 -0.637 -8.102 -4.818 82 HE3 LYS 14 2HE LYS 14 -1.375 -7.135 -3.541 83 HZ1 LYS 14 3HZ LYS 14 -3.383 -8.072 -3.869 84 HZ2 LYS 14 1HZ LYS 14 -2.470 -9.346 -4.505 85 HZ3 LYS 14 2HZ LYS 14 -3.185 -8.218 -5.543 86 H CYS 15 H CYS 15 -0.877 -1.410 -3.740 87 HA CYS 15 HA CYS 15 -0.652 0.952 -5.139 88 HB2 CYS 15 1HB CYS 15 0.460 0.371 -2.954 89 HB3 CYS 15 2HB CYS 15 1.676 -0.504 -3.878 90 H LYS 16 H LYS 16 0.137 1.551 -7.054 91 HA LYS 16 HA LYS 16 1.188 -0.476 -8.832 92 HB2 LYS 16 1HB LYS 16 -0.500 1.410 -9.404 93 HB3 LYS 16 2HB LYS 16 0.923 2.438 -9.514 94 HG2 LYS 16 1HG LYS 16 1.856 0.893 -11.206 95 HG3 LYS 16 2HG LYS 16 0.351 -0.028 -11.144 96 HD2 LYS 16 1HD LYS 16 0.242 2.910 -11.655 97 HD3 LYS 16 2HD LYS 16 0.713 1.826 -12.965 98 HE2 LYS 16 1HE LYS 16 -1.773 1.391 -11.333 99 HE3 LYS 16 2HE LYS 16 -1.759 2.414 -12.769 100 HZ1 LYS 16 3HZ LYS 16 -1.787 0.642 -14.086 101 HZ2 LYS 16 1HZ LYS 16 -2.138 -0.288 -12.717 102 HZ3 LYS 16 2HZ LYS 16 -0.538 -0.125 -13.241 103 H GLU 17 H GLU 17 2.783 0.508 -6.516 104 HA GLU 17 HA GLU 17 5.167 1.326 -8.037 105 HB2 GLU 17 1HB GLU 17 4.151 2.372 -5.407 106 HB3 GLU 17 2HB GLU 17 5.854 2.476 -5.829 107 HG2 GLU 17 1HG GLU 17 5.262 3.746 -7.845 108 HG3 GLU 17 2HG GLU 17 3.565 3.678 -7.369 109 H CYS 18 H CYS 18 3.957 -0.222 -5.085 110 HA CYS 18 HA CYS 18 6.398 -1.874 -5.050 111 HB2 CYS 18 1HB CYS 18 6.003 -2.142 -2.611 112 HB3 CYS 18 2HB CYS 18 6.310 -0.472 -3.077 113 H GLY 19 H GLY 19 2.910 -1.851 -4.394 114 HA2 GLY 19 1HA GLY 19 1.635 -3.687 -5.452 115 HA3 GLY 19 2HA GLY 19 2.909 -4.763 -4.899 116 H LYS 20 H LYS 20 2.025 -2.262 -2.736 117 HA LYS 20 HA LYS 20 1.183 -4.113 -0.751 118 HB2 LYS 20 1HB LYS 20 2.258 -1.719 -0.545 119 HB3 LYS 20 2HB LYS 20 0.581 -1.189 -0.549 120 HG2 LYS 20 1HG LYS 20 0.989 -1.402 1.696 121 HG3 LYS 20 2HG LYS 20 0.300 -2.983 1.319 122 HD2 LYS 20 1HD LYS 20 2.488 -3.974 1.225 123 HD3 LYS 20 2HD LYS 20 3.258 -2.395 1.396 124 HE2 LYS 20 1HE LYS 20 1.914 -2.269 3.613 125 HE3 LYS 20 2HE LYS 20 1.785 -4.018 3.435 126 HZ1 LYS 20 3HZ LYS 20 3.900 -4.295 4.028 127 HZ2 LYS 20 1HZ LYS 20 3.849 -2.701 4.594 128 HZ3 LYS 20 2HZ LYS 20 4.454 -3.032 3.049 129 H ALA 21 H ALA 21 -0.800 -4.773 -0.159 130 HA ALA 21 HA ALA 21 -3.052 -3.922 -1.811 131 HB1 ALA 21 3HB ALA 21 -2.622 -6.257 0.030 132 HB2 ALA 21 1HB ALA 21 -4.204 -5.862 -0.642 133 HB3 ALA 21 2HB ALA 21 -2.864 -6.264 -1.717 134 H PHE 22 H PHE 22 -4.980 -3.124 -0.979 135 HA PHE 22 HA PHE 22 -4.983 -2.388 1.866 136 HB2 PHE 22 1HB PHE 22 -5.894 -0.533 -0.339 137 HB3 PHE 22 2HB PHE 22 -5.743 -0.163 1.376 138 HD1 PHE 22 HD1 PHE 22 -3.841 -0.919 -1.695 139 HD2 PHE 22 HD2 PHE 22 -3.693 0.543 2.299 140 HE1 PHE 22 HE1 PHE 22 -1.545 -0.124 -2.076 141 HE2 PHE 22 HE2 PHE 22 -1.396 1.343 1.924 142 HZ PHE 22 HZ PHE 22 -0.319 1.010 -0.265 143 H ARG 23 H ARG 23 -7.189 -1.681 2.603 144 HA ARG 23 HA ARG 23 -9.192 -3.459 1.404 145 HB2 ARG 23 1HB ARG 23 -8.706 -2.417 4.155 146 HB3 ARG 23 2HB ARG 23 -10.363 -2.779 3.690 147 HG2 ARG 23 1HG ARG 23 -8.131 -4.763 3.382 148 HG3 ARG 23 2HG ARG 23 -9.084 -4.616 4.861 149 HD2 ARG 23 1HD ARG 23 -10.430 -4.949 2.208 150 HD3 ARG 23 2HD ARG 23 -9.781 -6.349 3.062 151 HE ARG 23 HE ARG 23 -11.288 -5.111 4.941 152 HH11 ARG 23 1HH1 ARG 23 -11.908 -6.189 1.689 153 HH12 ARG 23 2HH1 ARG 23 -13.587 -6.508 1.976 154 HH21 ARG 23 1HH2 ARG 23 -13.497 -5.527 5.331 155 HH22 ARG 23 2HH2 ARG 23 -14.490 -6.130 4.047 156 H GLN 24 H GLN 24 -8.518 -0.127 2.156 157 HA GLN 24 HA GLN 24 -11.075 0.624 0.902 158 HB2 GLN 24 1HB GLN 24 -9.650 2.085 3.132 159 HB3 GLN 24 2HB GLN 24 -11.124 2.621 2.336 160 HG2 GLN 24 1HG GLN 24 -12.419 1.006 3.344 161 HG3 GLN 24 2HG GLN 24 -11.044 -0.057 3.644 162 HE21 GLN 24 1HE2 GLN 24 -11.895 3.300 4.437 163 HE22 GLN 24 2HE2 GLN 24 -11.535 3.172 6.121 164 H ASN 25 H ASN 25 -11.060 2.439 -0.453 165 HA ASN 25 HA ASN 25 -8.756 2.792 -2.009 166 HB2 ASN 25 1HB ASN 25 -10.044 4.830 -2.897 167 HB3 ASN 25 2HB ASN 25 -10.805 3.252 -3.075 168 HD21 ASN 25 1HD2 ASN 25 -10.876 6.303 -1.429 169 HD22 ASN 25 2HD2 ASN 25 -12.449 6.125 -0.737 170 H ILE 26 H ILE 26 -9.981 4.537 0.764 171 HA ILE 26 HA ILE 26 -8.327 6.824 0.519 172 HB ILE 26 HB ILE 26 -10.295 6.882 1.935 173 HG12 ILE 26 1HG1 ILE 26 -9.273 7.840 3.993 174 HG13 ILE 26 2HG1 ILE 26 -7.721 7.173 3.499 175 HG21 ILE 26 1HG2 ILE 26 -8.884 4.699 3.433 176 HG22 ILE 26 2HG2 ILE 26 -10.137 5.683 4.188 177 HG23 ILE 26 3HG2 ILE 26 -10.517 4.707 2.769 178 HD11 ILE 26 3HD1 ILE 26 -8.488 9.680 2.983 179 HD12 ILE 26 1HD1 ILE 26 -7.379 8.773 1.955 180 HD13 ILE 26 2HD1 ILE 26 -9.087 8.883 1.528 181 H HIS 27 H HIS 27 -7.845 3.642 1.867 182 HA HIS 27 HA HIS 27 -5.533 4.239 3.400 183 HB2 HIS 27 1HB HIS 27 -6.766 1.720 2.340 184 HB3 HIS 27 2HB HIS 27 -5.158 1.673 3.057 185 HD1 HIS 27 HD1 HIS 27 -6.282 0.131 4.909 186 HD2 HIS 27 HD2 HIS 27 -7.565 4.082 4.837 187 HE1 HIS 27 HE1 HIS 27 -7.436 0.503 7.112 188 H LEU 28 H LEU 28 -5.942 2.785 0.175 189 HA LEU 28 HA LEU 28 -3.249 2.467 -0.446 190 HB2 LEU 28 1HB LEU 28 -4.663 1.410 -1.918 191 HB3 LEU 28 2HB LEU 28 -5.739 2.799 -2.046 192 HG LEU 28 HG LEU 28 -3.979 3.938 -3.409 193 HD11 LEU 28 1HD1 LEU 28 -2.284 2.401 -4.449 194 HD12 LEU 28 2HD1 LEU 28 -2.683 1.231 -3.191 195 HD13 LEU 28 3HD1 LEU 28 -2.005 2.799 -2.753 196 HD21 LEU 28 3HD2 LEU 28 -5.044 1.313 -4.447 197 HD22 LEU 28 1HD2 LEU 28 -4.428 2.633 -5.442 198 HD23 LEU 28 2HD2 LEU 28 -5.881 2.866 -4.469 199 H ALA 29 H ALA 29 -5.392 5.170 -1.352 200 HA ALA 29 HA ALA 29 -3.483 6.771 -2.582 201 HB1 ALA 29 3HB ALA 29 -5.285 8.490 -1.251 202 HB2 ALA 29 1HB ALA 29 -5.312 7.972 -2.937 203 HB3 ALA 29 2HB ALA 29 -6.185 7.046 -1.715 204 H SER 30 H SER 30 -4.305 6.442 0.827 205 HA SER 30 HA SER 30 -2.732 8.630 1.730 206 HB2 SER 30 1HB SER 30 -4.627 7.492 2.992 207 HB3 SER 30 2HB SER 30 -3.483 6.201 3.362 208 HG SER 30 HG SER 30 -3.548 7.772 5.018 209 H HIS 31 H HIS 31 -2.005 5.399 0.801 210 HA HIS 31 HA HIS 31 0.490 5.241 2.236 211 HB2 HIS 31 1HB HIS 31 -0.470 3.138 1.887 212 HB3 HIS 31 2HB HIS 31 -0.905 3.506 0.220 213 HD1 HIS 31 HD1 HIS 31 2.192 2.819 2.303 214 HD2 HIS 31 HD2 HIS 31 0.870 2.596 -1.630 215 HE1 HIS 31 HE1 HIS 31 4.043 1.682 1.035 216 H LEU 32 H LEU 32 -0.487 5.685 -1.151 217 HA LEU 32 HA LEU 32 1.926 5.759 -2.418 218 HB2 LEU 32 1HB LEU 32 -0.453 7.558 -2.845 219 HB3 LEU 32 2HB LEU 32 0.908 7.443 -3.959 220 HG LEU 32 HG LEU 32 -0.836 5.096 -3.234 221 HD11 LEU 32 1HD1 LEU 32 -1.166 7.208 -5.321 222 HD12 LEU 32 2HD1 LEU 32 -2.377 6.455 -4.284 223 HD13 LEU 32 3HD1 LEU 32 -1.697 5.556 -5.639 224 HD21 LEU 32 3HD2 LEU 32 0.119 4.129 -5.262 225 HD22 LEU 32 1HD2 LEU 32 1.380 4.549 -4.102 226 HD23 LEU 32 2HD2 LEU 32 1.093 5.581 -5.503 227 H ARG 33 H ARG 33 0.774 7.951 -0.042 228 HA ARG 33 HA ARG 33 2.115 10.298 -0.627 229 HB2 ARG 33 1HB ARG 33 1.805 9.119 2.138 230 HB3 ARG 33 2HB ARG 33 1.987 10.819 1.726 231 HG2 ARG 33 1HG ARG 33 -0.308 9.359 0.547 232 HG3 ARG 33 2HG ARG 33 -0.366 9.740 2.269 233 HD2 ARG 33 1HD ARG 33 -1.364 11.595 1.306 234 HD3 ARG 33 2HD ARG 33 0.305 12.122 1.519 235 HE ARG 33 HE ARG 33 0.297 11.117 -0.989 236 HH11 ARG 33 1HH1 ARG 33 -1.714 13.434 0.658 237 HH12 ARG 33 2HH1 ARG 33 -2.072 14.337 -0.776 238 HH21 ARG 33 1HH2 ARG 33 -0.167 12.299 -2.884 239 HH22 ARG 33 2HH2 ARG 33 -1.192 13.691 -2.790 240 H ILE 34 H ILE 34 3.304 7.600 1.380 241 HA ILE 34 HA ILE 34 5.853 8.589 1.872 242 HB ILE 34 HB ILE 34 6.530 6.336 2.386 243 HG12 ILE 34 1HG1 ILE 34 3.963 5.184 1.384 244 HG13 ILE 34 2HG1 ILE 34 5.250 5.497 0.224 245 HG21 ILE 34 1HG2 ILE 34 5.330 6.563 4.237 246 HG22 ILE 34 2HG2 ILE 34 4.141 7.541 3.379 247 HG23 ILE 34 3HG2 ILE 34 3.970 5.787 3.426 248 HD11 ILE 34 3HD1 ILE 34 6.126 3.545 0.763 249 HD12 ILE 34 1HD1 ILE 34 6.458 4.177 2.375 250 HD13 ILE 34 2HD1 ILE 34 4.947 3.325 2.056 251 H HIS 35 H HIS 35 4.527 7.194 -1.006 252 HA HIS 35 HA HIS 35 7.071 6.611 -2.223 253 HB2 HIS 35 1HB HIS 35 4.216 6.542 -3.139 254 HB3 HIS 35 2HB HIS 35 5.518 6.449 -4.320 255 HD1 HIS 35 HD1 HIS 35 7.200 4.377 -3.998 256 HD2 HIS 35 HD2 HIS 35 3.627 4.189 -1.886 257 HE1 HIS 35 HE1 HIS 35 6.948 1.969 -3.315 258 H THR 36 H THR 36 4.786 9.258 -2.202 259 HA THR 36 HA THR 36 6.382 10.697 -4.200 260 HB THR 36 HB THR 36 3.906 10.573 -4.525 261 HG1 THR 36 HG1 THR 36 5.405 12.448 -5.113 262 HG21 THR 36 3HG2 THR 36 2.835 12.492 -2.947 263 HG22 THR 36 1HG2 THR 36 3.977 11.755 -1.824 264 HG23 THR 36 2HG2 THR 36 2.738 10.767 -2.598 265 H GLY 37 H GLY 37 7.546 10.355 -1.676 266 HA2 GLY 37 1HA GLY 37 7.400 13.103 -0.595 267 HA3 GLY 37 2HA GLY 37 7.690 11.693 0.413 268 H GLU 38 H GLU 38 9.132 14.228 -1.176 269 HA GLU 38 HA GLU 38 11.534 13.132 -2.117 270 HB2 GLU 38 1HB GLU 38 10.674 15.470 -2.519 271 HB3 GLU 38 2HB GLU 38 11.207 15.872 -0.893 272 HG2 GLU 38 1HG GLU 38 12.870 16.597 -2.440 273 HG3 GLU 38 2HG GLU 38 13.508 15.225 -1.536 274 H LYS 39 H LYS 39 13.662 13.224 -1.175 275 HA LYS 39 HA LYS 39 13.608 12.881 1.751 276 HB2 LYS 39 1HB LYS 39 15.323 11.255 1.569 277 HB3 LYS 39 2HB LYS 39 14.145 10.854 0.327 278 HG2 LYS 39 1HG LYS 39 16.404 12.605 -0.452 279 HG3 LYS 39 2HG LYS 39 16.753 10.902 -0.144 280 HD2 LYS 39 1HD LYS 39 14.903 10.324 -1.727 281 HD3 LYS 39 2HD LYS 39 14.785 12.040 -2.126 282 HE2 LYS 39 1HE LYS 39 17.385 10.558 -2.337 283 HE3 LYS 39 2HE LYS 39 16.204 10.526 -3.645 284 HZ1 LYS 39 3HZ LYS 39 16.413 12.809 -3.984 285 HZ2 LYS 39 1HZ LYS 39 18.006 12.292 -3.738 286 HZ3 LYS 39 2HZ LYS 39 17.167 13.072 -2.493 287 HA PRO 40 HA PRO 40 16.432 16.216 2.198 288 HB2 PRO 40 1HB PRO 40 17.761 15.439 4.434 289 HB3 PRO 40 2HB PRO 40 16.094 16.025 4.463 290 HG2 PRO 40 1HG PRO 40 17.113 13.211 4.510 291 HG3 PRO 40 2HG PRO 40 15.809 13.945 5.462 292 HD2 PRO 40 1HD PRO 40 15.335 12.417 3.277 293 HD3 PRO 40 2HD PRO 40 14.285 13.771 3.741 294 H SER 41 H SER 41 17.928 13.019 2.711 295 HA SER 41 HA SER 41 20.003 13.650 0.796 296 HB2 SER 41 1HB SER 41 20.542 13.402 3.741 297 HB3 SER 41 2HB SER 41 21.766 12.914 2.569 298 HG SER 41 HG SER 41 20.510 15.456 2.558 299 H GLY 42 H GLY 42 21.458 11.766 0.426 300 HA2 GLY 42 1HA GLY 42 20.098 9.229 1.095 301 HA3 GLY 42 2HA GLY 42 20.689 9.566 -0.525 302 HA PRO 43 HA PRO 43 23.937 7.425 2.187 303 HB2 PRO 43 1HB PRO 43 23.911 5.012 0.943 304 HB3 PRO 43 2HB PRO 43 22.878 5.391 2.327 305 HG2 PRO 43 1HG PRO 43 22.209 5.390 -0.591 306 HG3 PRO 43 2HG PRO 43 21.263 4.770 0.774 307 HD2 PRO 43 1HD PRO 43 20.755 7.165 -0.382 308 HD3 PRO 43 2HD PRO 43 20.481 6.862 1.345 309 H SER 44 H SER 44 23.239 7.353 -1.274 310 HA SER 44 HA SER 44 26.132 7.574 -1.798 311 HB2 SER 44 1HB SER 44 23.958 6.139 -3.289 312 HB3 SER 44 2HB SER 44 25.387 6.709 -4.150 313 HG SER 44 HG SER 44 26.436 5.554 -2.167 314 H SER 45 H SER 45 26.728 9.512 -2.474 315 HA SER 45 HA SER 45 24.741 11.350 -3.551 316 HB2 SER 45 1HB SER 45 27.597 11.713 -2.636 317 HB3 SER 45 2HB SER 45 26.667 13.003 -3.398 318 HG SER 45 HG SER 45 26.569 12.083 -0.851 319 H GLY 46 H GLY 46 28.051 10.340 -4.441 320 HA2 GLY 46 1HA GLY 46 27.226 10.389 -7.258 321 HA3 GLY 46 2HA GLY 46 28.608 11.358 -6.772 Start of MODEL 5 1 H1 GLY 1 H GLY 1 6.094 -25.825 -13.950 2 HA2 GLY 1 1HA GLY 1 7.244 -23.860 -12.077 3 HA3 GLY 1 2HA GLY 1 5.536 -24.003 -12.468 4 H SER 2 H SER 2 8.209 -25.446 -10.709 5 HA SER 2 HA SER 2 6.609 -27.471 -9.464 6 HB2 SER 2 1HB SER 2 9.006 -27.817 -9.762 7 HB3 SER 2 2HB SER 2 9.357 -26.408 -8.761 8 HG SER 2 HG SER 2 8.602 -27.482 -6.986 9 H SER 3 H SER 3 8.269 -24.604 -8.132 10 HA SER 3 HA SER 3 6.918 -24.693 -5.652 11 HB2 SER 3 1HB SER 3 7.849 -22.447 -5.287 12 HB3 SER 3 2HB SER 3 9.069 -23.535 -5.950 13 HG SER 3 HG SER 3 8.537 -21.239 -6.890 14 H GLY 4 H GLY 4 6.433 -22.658 -8.534 15 HA2 GLY 4 1HA GLY 4 4.510 -21.673 -9.338 16 HA3 GLY 4 2HA GLY 4 3.605 -22.578 -8.134 17 H SER 5 H SER 5 2.849 -20.031 -8.734 18 HA SER 5 HA SER 5 3.817 -18.444 -6.449 19 HB2 SER 5 1HB SER 5 4.110 -17.495 -8.790 20 HB3 SER 5 2HB SER 5 2.352 -17.364 -8.860 21 HG SER 5 HG SER 5 2.548 -15.585 -7.783 22 H SER 6 H SER 6 2.039 -16.801 -5.738 23 HA SER 6 HA SER 6 -0.481 -18.299 -5.426 24 HB2 SER 6 1HB SER 6 -0.703 -17.356 -3.204 25 HB3 SER 6 2HB SER 6 0.880 -18.121 -3.340 26 HG SER 6 HG SER 6 1.476 -15.804 -4.029 27 H GLY 7 H GLY 7 -2.265 -16.674 -4.581 28 HA2 GLY 7 1HA GLY 7 -2.249 -13.991 -5.359 29 HA3 GLY 7 2HA GLY 7 -2.822 -14.930 -6.730 30 H SER 8 H SER 8 -3.591 -13.615 -3.655 31 HA SER 8 HA SER 8 -6.390 -14.195 -4.068 32 HB2 SER 8 1HB SER 8 -6.646 -15.164 -1.749 33 HB3 SER 8 2HB SER 8 -5.827 -16.214 -2.905 34 HG SER 8 HG SER 8 -4.538 -14.543 -1.004 35 H GLY 9 H GLY 9 -7.779 -13.033 -2.552 36 HA2 GLY 9 1HA GLY 9 -7.712 -11.456 -0.592 37 HA3 GLY 9 2HA GLY 9 -6.395 -10.667 -1.448 38 H GLU 10 H GLU 10 -9.515 -10.308 -0.697 39 HA GLU 10 HA GLU 10 -10.743 -9.609 -3.142 40 HB2 GLU 10 1HB GLU 10 -11.314 -8.802 -0.292 41 HB3 GLU 10 2HB GLU 10 -12.315 -8.295 -1.645 42 HG2 GLU 10 1HG GLU 10 -13.161 -10.274 -0.389 43 HG3 GLU 10 2HG GLU 10 -12.957 -10.525 -2.122 44 H LYS 11 H LYS 11 -9.313 -7.557 -0.601 45 HA LYS 11 HA LYS 11 -9.602 -5.066 -1.435 46 HB2 LYS 11 1HB LYS 11 -7.136 -4.660 -0.872 47 HB3 LYS 11 2HB LYS 11 -8.144 -5.376 0.379 48 HG2 LYS 11 1HG LYS 11 -6.663 -7.207 -1.426 49 HG3 LYS 11 2HG LYS 11 -5.749 -6.322 -0.202 50 HD2 LYS 11 1HD LYS 11 -7.735 -7.180 1.342 51 HD3 LYS 11 2HD LYS 11 -7.801 -8.447 0.114 52 HE2 LYS 11 1HE LYS 11 -6.331 -9.300 1.708 53 HE3 LYS 11 2HE LYS 11 -5.263 -8.637 0.472 54 HZ1 LYS 11 3HZ LYS 11 -5.959 -6.731 2.501 55 HZ2 LYS 11 1HZ LYS 11 -4.438 -7.156 1.894 56 HZ3 LYS 11 2HZ LYS 11 -5.146 -8.079 3.122 57 HA PRO 12 HA PRO 12 -8.359 -5.573 -5.785 58 HB2 PRO 12 1HB PRO 12 -9.855 -3.487 -6.667 59 HB3 PRO 12 2HB PRO 12 -10.523 -5.101 -6.395 60 HG2 PRO 12 1HG PRO 12 -10.631 -2.684 -4.632 61 HG3 PRO 12 2HG PRO 12 -11.913 -3.849 -5.014 62 HD2 PRO 12 1HD PRO 12 -10.506 -3.936 -2.702 63 HD3 PRO 12 2HD PRO 12 -11.132 -5.396 -3.494 64 H PHE 13 H PHE 13 -7.959 -3.097 -3.472 65 HA PHE 13 HA PHE 13 -6.532 -1.285 -5.213 66 HB2 PHE 13 1HB PHE 13 -6.531 -1.181 -2.204 67 HB3 PHE 13 2HB PHE 13 -6.345 0.146 -3.347 68 HD1 PHE 13 HD1 PHE 13 -8.720 -0.992 -5.102 69 HD2 PHE 13 HD2 PHE 13 -8.255 0.053 -1.002 70 HE1 PHE 13 HE1 PHE 13 -11.131 -0.525 -4.951 71 HE2 PHE 13 HE2 PHE 13 -10.665 0.521 -0.844 72 HZ PHE 13 HZ PHE 13 -12.107 0.232 -2.820 73 H LYS 14 H LYS 14 -4.564 -1.796 -5.896 74 HA LYS 14 HA LYS 14 -2.642 -2.866 -3.946 75 HB2 LYS 14 1HB LYS 14 -3.560 -4.604 -5.595 76 HB3 LYS 14 2HB LYS 14 -2.660 -3.734 -6.831 77 HG2 LYS 14 1HG LYS 14 -0.687 -4.060 -5.091 78 HG3 LYS 14 2HG LYS 14 -1.683 -5.436 -4.610 79 HD2 LYS 14 1HD LYS 14 -1.711 -6.184 -6.972 80 HD3 LYS 14 2HD LYS 14 -0.618 -4.857 -7.374 81 HE2 LYS 14 1HE LYS 14 1.145 -5.787 -6.158 82 HE3 LYS 14 2HE LYS 14 0.075 -6.841 -5.236 83 HZ1 LYS 14 3HZ LYS 14 -0.105 -7.375 -8.023 84 HZ2 LYS 14 1HZ LYS 14 0.282 -8.425 -6.754 85 HZ3 LYS 14 2HZ LYS 14 1.496 -7.506 -7.490 86 H CYS 15 H CYS 15 -0.946 -1.572 -3.755 87 HA CYS 15 HA CYS 15 -0.521 0.704 -5.324 88 HB2 CYS 15 1HB CYS 15 0.342 0.134 -2.949 89 HB3 CYS 15 2HB CYS 15 1.689 -0.633 -3.784 90 H LYS 16 H LYS 16 0.268 0.920 -7.301 91 HA LYS 16 HA LYS 16 1.610 -1.311 -8.584 92 HB2 LYS 16 1HB LYS 16 0.574 1.341 -9.569 93 HB3 LYS 16 2HB LYS 16 1.540 0.283 -10.589 94 HG2 LYS 16 1HG LYS 16 -0.190 -1.518 -10.056 95 HG3 LYS 16 2HG LYS 16 -1.193 -0.195 -9.456 96 HD2 LYS 16 1HD LYS 16 -1.877 -0.401 -11.665 97 HD3 LYS 16 2HD LYS 16 -0.693 0.906 -11.744 98 HE2 LYS 16 1HE LYS 16 0.109 -1.947 -12.201 99 HE3 LYS 16 2HE LYS 16 -0.579 -0.976 -13.502 100 HZ1 LYS 16 3HZ LYS 16 2.033 -0.815 -12.257 101 HZ2 LYS 16 1HZ LYS 16 1.292 0.675 -12.565 102 HZ3 LYS 16 2HZ LYS 16 1.555 -0.416 -13.830 103 H GLU 17 H GLU 17 2.852 0.478 -6.452 104 HA GLU 17 HA GLU 17 5.224 1.304 -7.993 105 HB2 GLU 17 1HB GLU 17 4.008 2.406 -5.471 106 HB3 GLU 17 2HB GLU 17 5.687 2.719 -5.890 107 HG2 GLU 17 1HG GLU 17 3.518 3.297 -7.857 108 HG3 GLU 17 2HG GLU 17 3.860 4.426 -6.548 109 H CYS 18 H CYS 18 4.147 -0.140 -4.937 110 HA CYS 18 HA CYS 18 6.808 -1.375 -4.665 111 HB2 CYS 18 1HB CYS 18 6.277 -1.607 -2.259 112 HB3 CYS 18 2HB CYS 18 6.273 0.073 -2.787 113 H GLY 19 H GLY 19 3.326 -1.956 -4.384 114 HA2 GLY 19 1HA GLY 19 2.544 -4.052 -5.445 115 HA3 GLY 19 2HA GLY 19 3.894 -4.846 -4.647 116 H LYS 20 H LYS 20 2.290 -2.416 -2.840 117 HA LYS 20 HA LYS 20 1.369 -4.390 -0.942 118 HB2 LYS 20 1HB LYS 20 2.412 -1.985 -0.547 119 HB3 LYS 20 2HB LYS 20 0.729 -1.489 -0.658 120 HG2 LYS 20 1HG LYS 20 0.130 -2.901 1.186 121 HG3 LYS 20 2HG LYS 20 1.754 -3.591 1.237 122 HD2 LYS 20 1HD LYS 20 2.591 -1.236 1.662 123 HD3 LYS 20 2HD LYS 20 0.903 -0.785 1.918 124 HE2 LYS 20 1HE LYS 20 2.052 -3.109 3.400 125 HE3 LYS 20 2HE LYS 20 2.413 -1.470 3.940 126 HZ1 LYS 20 3HZ LYS 20 0.180 -1.046 4.379 127 HZ2 LYS 20 1HZ LYS 20 0.400 -2.626 4.942 128 HZ3 LYS 20 2HZ LYS 20 -0.364 -2.356 3.458 129 H ALA 21 H ALA 21 -0.855 -4.065 0.052 130 HA ALA 21 HA ALA 21 -2.836 -3.501 -2.056 131 HB1 ALA 21 3HB ALA 21 -2.343 -5.960 -0.640 132 HB2 ALA 21 1HB ALA 21 -3.989 -5.391 -0.360 133 HB3 ALA 21 2HB ALA 21 -3.411 -5.646 -2.007 134 H PHE 22 H PHE 22 -5.051 -3.105 -1.170 135 HA PHE 22 HA PHE 22 -5.184 -2.152 1.563 136 HB2 PHE 22 1HB PHE 22 -5.917 -0.185 -0.584 137 HB3 PHE 22 2HB PHE 22 -5.589 0.110 1.120 138 HD1 PHE 22 HD1 PHE 22 -4.012 -0.777 -2.105 139 HD2 PHE 22 HD2 PHE 22 -3.430 0.652 1.862 140 HE1 PHE 22 HE1 PHE 22 -1.689 -0.187 -2.662 141 HE2 PHE 22 HE2 PHE 22 -1.107 1.245 1.312 142 HZ PHE 22 HZ PHE 22 -0.233 0.827 -0.953 143 H ARG 23 H ARG 23 -7.202 -2.290 2.387 144 HA ARG 23 HA ARG 23 -9.242 -3.476 0.713 145 HB2 ARG 23 1HB ARG 23 -8.986 -2.943 3.661 146 HB3 ARG 23 2HB ARG 23 -10.524 -3.431 2.960 147 HG2 ARG 23 1HG ARG 23 -8.108 -5.056 2.356 148 HG3 ARG 23 2HG ARG 23 -8.851 -5.193 3.951 149 HD2 ARG 23 1HD ARG 23 -10.364 -5.492 1.363 150 HD3 ARG 23 2HD ARG 23 -9.667 -6.847 2.251 151 HE ARG 23 HE ARG 23 -11.338 -5.275 3.924 152 HH11 ARG 23 1HH1 ARG 23 -11.414 -7.664 1.392 153 HH12 ARG 23 2HH1 ARG 23 -12.952 -8.307 1.866 154 HH21 ARG 23 1HH2 ARG 23 -13.363 -6.113 4.558 155 HH22 ARG 23 2HH2 ARG 23 -14.060 -7.423 3.666 156 H GLN 24 H GLN 24 -8.505 -0.383 2.082 157 HA GLN 24 HA GLN 24 -11.092 0.643 1.114 158 HB2 GLN 24 1HB GLN 24 -9.471 1.341 3.529 159 HB3 GLN 24 2HB GLN 24 -10.474 2.578 2.783 160 HG2 GLN 24 1HG GLN 24 -11.953 1.764 4.293 161 HG3 GLN 24 2HG GLN 24 -12.307 0.689 2.942 162 HE21 GLN 24 1HE2 GLN 24 -13.072 -0.213 5.279 163 HE22 GLN 24 2HE2 GLN 24 -12.021 -1.444 5.882 164 H ASN 25 H ASN 25 -11.104 2.625 0.013 165 HA ASN 25 HA ASN 25 -8.904 3.081 -1.686 166 HB2 ASN 25 1HB ASN 25 -11.212 4.952 -1.110 167 HB3 ASN 25 2HB ASN 25 -10.166 4.986 -2.526 168 HD21 ASN 25 1HD2 ASN 25 -10.564 3.638 -4.200 169 HD22 ASN 25 2HD2 ASN 25 -11.908 2.554 -4.270 170 H ILE 26 H ILE 26 -9.988 4.657 1.269 171 HA ILE 26 HA ILE 26 -8.272 6.884 1.175 172 HB ILE 26 HB ILE 26 -10.169 6.778 2.711 173 HG12 ILE 26 1HG1 ILE 26 -8.911 7.492 4.819 174 HG13 ILE 26 2HG1 ILE 26 -7.434 7.108 3.942 175 HG21 ILE 26 1HG2 ILE 26 -9.731 5.427 4.876 176 HG22 ILE 26 2HG2 ILE 26 -10.332 4.589 3.447 177 HG23 ILE 26 3HG2 ILE 26 -8.623 4.495 3.870 178 HD11 ILE 26 3HD1 ILE 26 -8.312 9.538 3.982 179 HD12 ILE 26 1HD1 ILE 26 -7.697 8.861 2.474 180 HD13 ILE 26 2HD1 ILE 26 -9.436 8.968 2.748 181 H HIS 27 H HIS 27 -7.743 3.569 2.063 182 HA HIS 27 HA HIS 27 -5.353 3.954 3.552 183 HB2 HIS 27 1HB HIS 27 -6.755 1.632 2.320 184 HB3 HIS 27 2HB HIS 27 -5.053 1.436 2.731 185 HD1 HIS 27 HD1 HIS 27 -5.582 -0.238 4.614 186 HD2 HIS 27 HD2 HIS 27 -7.345 3.489 5.127 187 HE1 HIS 27 HE1 HIS 27 -6.415 -0.209 6.986 188 H LEU 28 H LEU 28 -5.887 2.787 0.223 189 HA LEU 28 HA LEU 28 -3.222 2.650 -0.550 190 HB2 LEU 28 1HB LEU 28 -4.832 1.658 -1.951 191 HB3 LEU 28 2HB LEU 28 -5.747 3.157 -2.093 192 HG LEU 28 HG LEU 28 -3.852 4.101 -3.419 193 HD11 LEU 28 1HD1 LEU 28 -2.136 2.534 -2.536 194 HD12 LEU 28 2HD1 LEU 28 -2.160 2.650 -4.295 195 HD13 LEU 28 3HD1 LEU 28 -2.876 1.251 -3.495 196 HD21 LEU 28 3HD2 LEU 28 -5.810 3.262 -4.547 197 HD22 LEU 28 1HD2 LEU 28 -5.197 1.610 -4.459 198 HD23 LEU 28 2HD2 LEU 28 -4.372 2.804 -5.461 199 H ALA 29 H ALA 29 -5.512 5.309 -1.203 200 HA ALA 29 HA ALA 29 -3.740 7.089 -2.361 201 HB1 ALA 29 3HB ALA 29 -6.301 7.240 -2.038 202 HB2 ALA 29 1HB ALA 29 -5.899 8.063 -0.531 203 HB3 ALA 29 2HB ALA 29 -5.355 8.728 -2.072 204 H SER 30 H SER 30 -4.377 6.485 1.055 205 HA SER 30 HA SER 30 -2.780 8.645 2.011 206 HB2 SER 30 1HB SER 30 -4.612 7.551 3.323 207 HB3 SER 30 2HB SER 30 -3.580 6.131 3.495 208 HG SER 30 HG SER 30 -2.103 7.389 4.632 209 H HIS 31 H HIS 31 -2.086 5.510 0.828 210 HA HIS 31 HA HIS 31 0.496 5.339 2.154 211 HB2 HIS 31 1HB HIS 31 -0.566 3.239 1.950 212 HB3 HIS 31 2HB HIS 31 -1.006 3.531 0.270 213 HD1 HIS 31 HD1 HIS 31 1.981 2.684 2.412 214 HD2 HIS 31 HD2 HIS 31 0.860 2.732 -1.588 215 HE1 HIS 31 HE1 HIS 31 3.838 1.521 1.180 216 H LEU 32 H LEU 32 -0.684 5.418 -1.211 217 HA LEU 32 HA LEU 32 1.555 5.501 -2.671 218 HB2 LEU 32 1HB LEU 32 -0.781 7.385 -2.937 219 HB3 LEU 32 2HB LEU 32 0.450 7.146 -4.175 220 HG LEU 32 HG LEU 32 -1.301 4.917 -3.160 221 HD11 LEU 32 1HD1 LEU 32 -2.267 5.464 -5.620 222 HD12 LEU 32 2HD1 LEU 32 -1.896 7.091 -5.049 223 HD13 LEU 32 3HD1 LEU 32 -2.983 6.058 -4.121 224 HD21 LEU 32 3HD2 LEU 32 -0.475 3.664 -4.911 225 HD22 LEU 32 1HD2 LEU 32 0.947 4.591 -4.433 226 HD23 LEU 32 2HD2 LEU 32 0.006 5.084 -5.842 227 H ARG 33 H ARG 33 0.472 8.041 -0.520 228 HA ARG 33 HA ARG 33 2.089 10.143 -1.334 229 HB2 ARG 33 1HB ARG 33 1.663 9.639 1.585 230 HB3 ARG 33 2HB ARG 33 1.596 11.154 0.694 231 HG2 ARG 33 1HG ARG 33 -0.480 9.958 -0.441 232 HG3 ARG 33 2HG ARG 33 -0.490 9.092 1.097 233 HD2 ARG 33 1HD ARG 33 -0.221 12.052 1.151 234 HD3 ARG 33 2HD ARG 33 -1.799 11.369 0.763 235 HE ARG 33 HE ARG 33 -1.078 10.030 2.999 236 HH11 ARG 33 1HH1 ARG 33 -1.246 13.410 2.182 237 HH12 ARG 33 2HH1 ARG 33 -1.602 13.917 3.800 238 HH21 ARG 33 1HH2 ARG 33 -1.546 10.685 5.133 239 HH22 ARG 33 2HH2 ARG 33 -1.771 12.366 5.478 240 H ILE 34 H ILE 34 2.814 7.576 1.019 241 HA ILE 34 HA ILE 34 5.290 8.321 1.889 242 HB ILE 34 HB ILE 34 5.763 6.060 2.393 243 HG12 ILE 34 1HG1 ILE 34 4.095 4.312 1.258 244 HG13 ILE 34 2HG1 ILE 34 4.109 5.518 -0.024 245 HG21 ILE 34 1HG2 ILE 34 3.704 7.130 3.431 246 HG22 ILE 34 2HG2 ILE 34 2.761 6.112 2.345 247 HG23 ILE 34 3HG2 ILE 34 3.827 5.374 3.539 248 HD11 ILE 34 3HD1 ILE 34 6.054 4.771 -0.752 249 HD12 ILE 34 1HD1 ILE 34 6.786 5.005 0.835 250 HD13 ILE 34 2HD1 ILE 34 5.975 3.486 0.453 251 H HIS 35 H HIS 35 4.425 7.115 -1.264 252 HA HIS 35 HA HIS 35 7.152 6.660 -2.088 253 HB2 HIS 35 1HB HIS 35 4.507 6.616 -3.532 254 HB3 HIS 35 2HB HIS 35 6.037 6.427 -4.383 255 HD1 HIS 35 HD1 HIS 35 7.532 4.324 -3.517 256 HD2 HIS 35 HD2 HIS 35 3.502 4.309 -2.507 257 HE1 HIS 35 HE1 HIS 35 7.008 1.949 -2.880 258 H THR 36 H THR 36 4.769 9.210 -2.339 259 HA THR 36 HA THR 36 6.749 10.860 -3.773 260 HB THR 36 HB THR 36 4.730 10.453 -5.121 261 HG1 THR 36 HG1 THR 36 5.903 12.661 -4.814 262 HG21 THR 36 3HG2 THR 36 3.229 11.961 -2.983 263 HG22 THR 36 1HG2 THR 36 3.179 10.209 -3.170 264 HG23 THR 36 2HG2 THR 36 2.569 11.251 -4.456 265 H GLY 37 H GLY 37 6.932 10.650 -1.030 266 HA2 GLY 37 1HA GLY 37 5.505 12.390 0.560 267 HA3 GLY 37 2HA GLY 37 7.208 12.024 0.793 268 H GLU 38 H GLU 38 8.775 13.334 -0.391 269 HA GLU 38 HA GLU 38 8.210 16.092 -0.145 270 HB2 GLU 38 1HB GLU 38 10.515 14.548 -1.307 271 HB3 GLU 38 2HB GLU 38 10.459 16.303 -1.389 272 HG2 GLU 38 1HG GLU 38 11.777 15.629 0.498 273 HG3 GLU 38 2HG GLU 38 10.291 16.391 1.063 274 H LYS 39 H LYS 39 8.575 17.691 -1.920 275 HA LYS 39 HA LYS 39 7.938 16.803 -4.602 276 HB2 LYS 39 1HB LYS 39 6.026 18.607 -4.589 277 HB3 LYS 39 2HB LYS 39 5.707 16.963 -4.053 278 HG2 LYS 39 1HG LYS 39 4.705 18.223 -2.408 279 HG3 LYS 39 2HG LYS 39 6.286 17.880 -1.701 280 HD2 LYS 39 1HD LYS 39 7.007 20.039 -1.927 281 HD3 LYS 39 2HD LYS 39 5.989 20.346 -3.336 282 HE2 LYS 39 1HE LYS 39 5.037 20.105 -0.483 283 HE3 LYS 39 2HE LYS 39 5.229 21.609 -1.383 284 HZ1 LYS 39 3HZ LYS 39 2.998 19.962 -1.295 285 HZ2 LYS 39 1HZ LYS 39 3.627 19.821 -2.859 286 HZ3 LYS 39 2HZ LYS 39 3.223 21.344 -2.245 287 HA PRO 40 HA PRO 40 10.466 20.267 -5.587 288 HB2 PRO 40 1HB PRO 40 9.720 20.638 -8.171 289 HB3 PRO 40 2HB PRO 40 10.741 19.293 -7.649 290 HG2 PRO 40 1HG PRO 40 7.800 19.333 -8.207 291 HG3 PRO 40 2HG PRO 40 9.009 18.118 -8.662 292 HD2 PRO 40 1HD PRO 40 7.343 17.795 -6.553 293 HD3 PRO 40 2HD PRO 40 8.990 17.135 -6.578 294 H SER 41 H SER 41 7.061 20.389 -5.540 295 HA SER 41 HA SER 41 6.527 22.941 -6.542 296 HB2 SER 41 1HB SER 41 4.925 21.035 -5.701 297 HB3 SER 41 2HB SER 41 5.026 21.899 -4.166 298 HG SER 41 HG SER 41 4.539 23.445 -6.417 299 H GLY 42 H GLY 42 6.925 22.000 -3.118 300 HA2 GLY 42 1HA GLY 42 7.952 24.725 -2.617 301 HA3 GLY 42 2HA GLY 42 6.828 23.941 -1.517 302 HA PRO 43 HA PRO 43 11.342 23.084 -0.379 303 HB2 PRO 43 1HB PRO 43 11.391 24.510 1.931 304 HB3 PRO 43 2HB PRO 43 11.823 25.204 0.364 305 HG2 PRO 43 1HG PRO 43 9.248 25.400 1.878 306 HG3 PRO 43 2HG PRO 43 10.130 26.665 1.002 307 HD2 PRO 43 1HD PRO 43 7.977 25.400 -0.044 308 HD3 PRO 43 2HD PRO 43 9.319 25.988 -1.046 309 H SER 44 H SER 44 11.915 21.508 1.070 310 HA SER 44 HA SER 44 10.503 20.882 3.432 311 HB2 SER 44 1HB SER 44 8.901 20.141 1.528 312 HB3 SER 44 2HB SER 44 10.037 18.812 1.300 313 HG SER 44 HG SER 44 9.197 19.314 3.902 314 H SER 45 H SER 45 11.960 19.953 4.696 315 HA SER 45 HA SER 45 14.311 18.719 3.499 316 HB2 SER 45 1HB SER 45 13.705 19.369 6.394 317 HB3 SER 45 2HB SER 45 15.254 18.806 5.768 318 HG SER 45 HG SER 45 14.709 21.228 6.050 319 H GLY 46 H GLY 46 15.212 16.768 4.760 320 HA2 GLY 46 1HA GLY 46 13.002 14.903 5.365 321 HA3 GLY 46 2HA GLY 46 14.352 14.436 4.341 Start of MODEL 6 1 H1 GLY 1 H GLY 1 5.940 -21.603 -14.532 2 HA2 GLY 1 1HA GLY 1 6.131 -23.314 -12.181 3 HA3 GLY 1 2HA GLY 1 7.355 -22.061 -12.327 4 H SER 2 H SER 2 3.945 -22.708 -11.874 5 HA SER 2 HA SER 2 2.921 -20.137 -11.816 6 HB2 SER 2 1HB SER 2 2.167 -22.606 -10.252 7 HB3 SER 2 2HB SER 2 1.250 -21.104 -10.142 8 HG SER 2 HG SER 2 1.806 -22.074 -12.691 9 H SER 3 H SER 3 2.227 -18.876 -9.898 10 HA SER 3 HA SER 3 4.497 -18.485 -8.137 11 HB2 SER 3 1HB SER 3 3.476 -16.517 -9.145 12 HB3 SER 3 2HB SER 3 1.914 -16.935 -8.442 13 HG SER 3 HG SER 3 3.461 -16.883 -6.405 14 H GLY 4 H GLY 4 4.460 -18.604 -5.896 15 HA2 GLY 4 1HA GLY 4 2.280 -20.264 -4.816 16 HA3 GLY 4 2HA GLY 4 3.911 -20.182 -4.167 17 H SER 5 H SER 5 1.780 -17.504 -5.072 18 HA SER 5 HA SER 5 1.913 -16.587 -2.276 19 HB2 SER 5 1HB SER 5 3.021 -15.082 -3.881 20 HB3 SER 5 2HB SER 5 1.518 -14.950 -4.795 21 HG SER 5 HG SER 5 0.608 -14.165 -2.724 22 H SER 6 H SER 6 0.076 -17.815 -1.664 23 HA SER 6 HA SER 6 -2.457 -16.613 -2.555 24 HB2 SER 6 1HB SER 6 -2.391 -18.754 -3.637 25 HB3 SER 6 2HB SER 6 -1.869 -19.552 -2.154 26 HG SER 6 HG SER 6 -4.358 -18.228 -2.486 27 H GLY 7 H GLY 7 -3.876 -16.106 -0.968 28 HA2 GLY 7 1HA GLY 7 -4.558 -17.088 1.368 29 HA3 GLY 7 2HA GLY 7 -2.950 -16.511 1.782 30 H SER 8 H SER 8 -2.564 -14.310 1.964 31 HA SER 8 HA SER 8 -4.998 -12.661 2.092 32 HB2 SER 8 1HB SER 8 -2.437 -12.639 3.663 33 HB3 SER 8 2HB SER 8 -3.437 -11.189 3.569 34 HG SER 8 HG SER 8 -5.111 -12.299 4.523 35 H GLY 9 H GLY 9 -4.805 -12.286 -0.227 36 HA2 GLY 9 1HA GLY 9 -3.355 -9.855 -0.750 37 HA3 GLY 9 2HA GLY 9 -2.718 -11.236 -1.631 38 H GLU 10 H GLU 10 -6.098 -10.569 -0.834 39 HA GLU 10 HA GLU 10 -6.640 -10.371 -3.724 40 HB2 GLU 10 1HB GLU 10 -7.508 -12.399 -2.319 41 HB3 GLU 10 2HB GLU 10 -8.712 -11.253 -1.747 42 HG2 GLU 10 1HG GLU 10 -9.081 -10.800 -4.284 43 HG3 GLU 10 2HG GLU 10 -8.313 -12.375 -4.478 44 H LYS 11 H LYS 11 -5.964 -8.067 -2.517 45 HA LYS 11 HA LYS 11 -8.404 -6.705 -1.676 46 HB2 LYS 11 1HB LYS 11 -5.491 -6.124 -1.536 47 HB3 LYS 11 2HB LYS 11 -6.581 -4.746 -1.631 48 HG2 LYS 11 1HG LYS 11 -6.445 -4.980 0.626 49 HG3 LYS 11 2HG LYS 11 -7.824 -6.033 0.304 50 HD2 LYS 11 1HD LYS 11 -5.105 -7.230 0.205 51 HD3 LYS 11 2HD LYS 11 -5.770 -6.820 1.788 52 HE2 LYS 11 1HE LYS 11 -7.253 -8.465 -0.252 53 HE3 LYS 11 2HE LYS 11 -6.209 -9.171 0.981 54 HZ1 LYS 11 3HZ LYS 11 -7.669 -8.685 2.628 55 HZ2 LYS 11 1HZ LYS 11 -8.781 -8.823 1.360 56 HZ3 LYS 11 2HZ LYS 11 -8.264 -7.295 1.870 57 HA PRO 12 HA PRO 12 -9.238 -5.012 -5.655 58 HB2 PRO 12 1HB PRO 12 -10.689 -2.846 -4.900 59 HB3 PRO 12 2HB PRO 12 -11.320 -4.495 -4.831 60 HG2 PRO 12 1HG PRO 12 -10.177 -2.812 -2.635 61 HG3 PRO 12 2HG PRO 12 -11.608 -3.859 -2.613 62 HD2 PRO 12 1HD PRO 12 -9.227 -4.623 -1.575 63 HD3 PRO 12 2HD PRO 12 -10.358 -5.773 -2.317 64 H PHE 13 H PHE 13 -7.725 -3.095 -3.149 65 HA PHE 13 HA PHE 13 -6.719 -1.223 -5.182 66 HB2 PHE 13 1HB PHE 13 -6.861 -0.930 -2.174 67 HB3 PHE 13 2HB PHE 13 -6.182 0.267 -3.273 68 HD1 PHE 13 HD1 PHE 13 -7.668 1.418 -4.902 69 HD2 PHE 13 HD2 PHE 13 -9.186 -1.093 -1.819 70 HE1 PHE 13 HE1 PHE 13 -9.895 2.425 -5.184 71 HE2 PHE 13 HE2 PHE 13 -11.416 -0.091 -2.097 72 HZ PHE 13 HZ PHE 13 -11.773 1.670 -3.781 73 H LYS 14 H LYS 14 -4.678 -1.407 -5.805 74 HA LYS 14 HA LYS 14 -2.731 -2.608 -3.955 75 HB2 LYS 14 1HB LYS 14 -3.340 -4.297 -5.605 76 HB3 LYS 14 2HB LYS 14 -2.998 -3.173 -6.914 77 HG2 LYS 14 1HG LYS 14 -0.621 -3.104 -5.791 78 HG3 LYS 14 2HG LYS 14 -1.127 -4.673 -5.159 79 HD2 LYS 14 1HD LYS 14 -0.120 -5.292 -7.134 80 HD3 LYS 14 2HD LYS 14 -1.801 -5.122 -7.649 81 HE2 LYS 14 1HE LYS 14 0.211 -2.893 -7.857 82 HE3 LYS 14 2HE LYS 14 -0.055 -4.065 -9.147 83 HZ1 LYS 14 3HZ LYS 14 -2.485 -3.376 -8.962 84 HZ2 LYS 14 1HZ LYS 14 -1.420 -2.281 -9.689 85 HZ3 LYS 14 2HZ LYS 14 -1.926 -2.037 -8.093 86 H CYS 15 H CYS 15 -0.667 -1.763 -4.002 87 HA CYS 15 HA CYS 15 -0.432 0.905 -5.034 88 HB2 CYS 15 1HB CYS 15 0.531 0.149 -2.844 89 HB3 CYS 15 2HB CYS 15 1.711 -0.795 -3.746 90 H LYS 16 H LYS 16 0.573 1.591 -6.826 91 HA LYS 16 HA LYS 16 1.622 -0.424 -8.653 92 HB2 LYS 16 1HB LYS 16 -0.041 1.562 -9.181 93 HB3 LYS 16 2HB LYS 16 1.452 2.475 -9.359 94 HG2 LYS 16 1HG LYS 16 2.190 1.101 -11.135 95 HG3 LYS 16 2HG LYS 16 0.933 -0.098 -10.823 96 HD2 LYS 16 1HD LYS 16 0.250 1.151 -12.729 97 HD3 LYS 16 2HD LYS 16 -0.756 1.680 -11.379 98 HE2 LYS 16 1HE LYS 16 -0.142 3.672 -12.416 99 HE3 LYS 16 2HE LYS 16 0.994 3.538 -11.074 100 HZ1 LYS 16 3HZ LYS 16 2.511 3.909 -12.661 101 HZ2 LYS 16 1HZ LYS 16 1.482 3.448 -13.922 102 HZ3 LYS 16 2HZ LYS 16 2.311 2.271 -13.034 103 H GLU 17 H GLU 17 3.056 0.695 -6.214 104 HA GLU 17 HA GLU 17 5.496 1.574 -7.614 105 HB2 GLU 17 1HB GLU 17 4.421 2.338 -4.905 106 HB3 GLU 17 2HB GLU 17 6.104 2.590 -5.347 107 HG2 GLU 17 1HG GLU 17 3.881 3.665 -7.038 108 HG3 GLU 17 2HG GLU 17 4.461 4.536 -5.619 109 H CYS 18 H CYS 18 4.265 -0.219 -4.808 110 HA CYS 18 HA CYS 18 6.715 -1.856 -4.891 111 HB2 CYS 18 1HB CYS 18 6.384 -2.249 -2.464 112 HB3 CYS 18 2HB CYS 18 6.669 -0.554 -2.845 113 H GLY 19 H GLY 19 3.260 -1.883 -4.035 114 HA2 GLY 19 1HA GLY 19 2.031 -3.710 -5.290 115 HA3 GLY 19 2HA GLY 19 3.242 -4.781 -4.599 116 H LYS 20 H LYS 20 2.366 -2.260 -2.517 117 HA LYS 20 HA LYS 20 1.287 -4.015 -0.584 118 HB2 LYS 20 1HB LYS 20 2.388 -1.595 -0.415 119 HB3 LYS 20 2HB LYS 20 0.702 -1.097 -0.436 120 HG2 LYS 20 1HG LYS 20 1.485 -3.258 1.440 121 HG3 LYS 20 2HG LYS 20 1.986 -1.607 1.814 122 HD2 LYS 20 1HD LYS 20 -0.316 -0.854 1.713 123 HD3 LYS 20 2HD LYS 20 -0.848 -2.466 1.228 124 HE2 LYS 20 1HE LYS 20 -0.290 -3.382 3.341 125 HE3 LYS 20 2HE LYS 20 0.600 -1.934 3.811 126 HZ1 LYS 20 3HZ LYS 20 -1.877 -2.406 4.590 127 HZ2 LYS 20 1HZ LYS 20 -2.215 -1.583 3.152 128 HZ3 LYS 20 2HZ LYS 20 -1.284 -0.840 4.352 129 H ALA 21 H ALA 21 -0.739 -4.660 -0.182 130 HA ALA 21 HA ALA 21 -2.854 -3.716 -1.964 131 HB1 ALA 21 3HB ALA 21 -3.903 -5.742 -0.380 132 HB2 ALA 21 1HB ALA 21 -3.294 -5.895 -2.029 133 HB3 ALA 21 2HB ALA 21 -2.229 -6.220 -0.661 134 H PHE 22 H PHE 22 -4.922 -3.099 -1.176 135 HA PHE 22 HA PHE 22 -5.090 -2.421 1.666 136 HB2 PHE 22 1HB PHE 22 -5.943 -0.383 -0.364 137 HB3 PHE 22 2HB PHE 22 -5.543 -0.156 1.336 138 HD1 PHE 22 HD1 PHE 22 -4.092 -0.868 -1.992 139 HD2 PHE 22 HD2 PHE 22 -3.370 0.419 2.001 140 HE1 PHE 22 HE1 PHE 22 -1.812 -0.194 -2.625 141 HE2 PHE 22 HE2 PHE 22 -1.090 1.096 1.374 142 HZ PHE 22 HZ PHE 22 -0.308 0.790 -0.941 143 H ARG 23 H ARG 23 -7.212 -2.187 2.462 144 HA ARG 23 HA ARG 23 -9.185 -3.649 0.912 145 HB2 ARG 23 1HB ARG 23 -9.273 -2.598 3.746 146 HB3 ARG 23 2HB ARG 23 -10.508 -3.604 3.002 147 HG2 ARG 23 1HG ARG 23 -8.595 -5.282 2.608 148 HG3 ARG 23 2HG ARG 23 -7.724 -4.332 3.814 149 HD2 ARG 23 1HD ARG 23 -10.474 -5.464 4.278 150 HD3 ARG 23 2HD ARG 23 -8.995 -6.333 4.685 151 HE ARG 23 HE ARG 23 -8.684 -3.948 5.929 152 HH11 ARG 23 1HH1 ARG 23 -11.214 -6.340 5.914 153 HH12 ARG 23 2HH1 ARG 23 -11.727 -5.997 7.533 154 HH21 ARG 23 1HH2 ARG 23 -9.350 -3.487 8.061 155 HH22 ARG 23 2HH2 ARG 23 -10.667 -4.373 8.753 156 H GLN 24 H GLN 24 -8.607 -0.408 2.094 157 HA GLN 24 HA GLN 24 -11.102 0.466 0.794 158 HB2 GLN 24 1HB GLN 24 -9.640 1.612 3.171 159 HB3 GLN 24 2HB GLN 24 -10.906 2.483 2.316 160 HG2 GLN 24 1HG GLN 24 -12.472 0.654 2.826 161 HG3 GLN 24 2HG GLN 24 -11.200 -0.149 3.744 162 HE21 GLN 24 1HE2 GLN 24 -10.095 1.542 5.312 163 HE22 GLN 24 2HE2 GLN 24 -11.214 2.390 6.318 164 H ASN 25 H ASN 25 -11.056 2.462 -0.358 165 HA ASN 25 HA ASN 25 -8.792 2.791 -1.995 166 HB2 ASN 25 1HB ASN 25 -10.698 3.509 -3.064 167 HB3 ASN 25 2HB ASN 25 -11.364 4.249 -1.611 168 HD21 ASN 25 1HD2 ASN 25 -9.200 4.648 -4.301 169 HD22 ASN 25 2HD2 ASN 25 -9.006 6.358 -4.150 170 H ILE 26 H ILE 26 -9.904 4.502 0.872 171 HA ILE 26 HA ILE 26 -8.139 6.682 0.758 172 HB ILE 26 HB ILE 26 -10.057 6.632 2.278 173 HG12 ILE 26 1HG1 ILE 26 -8.855 7.445 4.345 174 HG13 ILE 26 2HG1 ILE 26 -7.350 6.931 3.590 175 HG21 ILE 26 1HG2 ILE 26 -9.502 4.130 2.855 176 HG22 ILE 26 2HG2 ILE 26 -8.601 4.864 4.180 177 HG23 ILE 26 3HG2 ILE 26 -10.331 5.165 4.018 178 HD11 ILE 26 3HD1 ILE 26 -7.528 8.547 1.900 179 HD12 ILE 26 1HD1 ILE 26 -9.220 8.871 2.275 180 HD13 ILE 26 2HD1 ILE 26 -7.956 9.376 3.396 181 H HIS 27 H HIS 27 -7.789 3.460 2.171 182 HA HIS 27 HA HIS 27 -5.372 3.837 3.510 183 HB2 HIS 27 1HB HIS 27 -6.822 1.489 2.397 184 HB3 HIS 27 2HB HIS 27 -5.127 1.267 2.820 185 HD1 HIS 27 HD1 HIS 27 -4.898 0.336 5.086 186 HD2 HIS 27 HD2 HIS 27 -8.169 2.883 4.802 187 HE1 HIS 27 HE1 HIS 27 -5.936 0.355 7.377 188 H LEU 28 H LEU 28 -5.980 2.824 0.163 189 HA LEU 28 HA LEU 28 -3.265 2.478 -0.539 190 HB2 LEU 28 1HB LEU 28 -4.813 1.433 -1.937 191 HB3 LEU 28 2HB LEU 28 -5.789 2.892 -2.097 192 HG LEU 28 HG LEU 28 -3.961 3.885 -3.470 193 HD11 LEU 28 1HD1 LEU 28 -2.098 2.705 -4.134 194 HD12 LEU 28 2HD1 LEU 28 -2.828 1.140 -3.776 195 HD13 LEU 28 3HD1 LEU 28 -2.276 2.177 -2.460 196 HD21 LEU 28 3HD2 LEU 28 -5.961 2.745 -4.429 197 HD22 LEU 28 1HD2 LEU 28 -4.997 1.274 -4.561 198 HD23 LEU 28 2HD2 LEU 28 -4.539 2.712 -5.473 199 H ALA 29 H ALA 29 -5.520 5.158 -1.206 200 HA ALA 29 HA ALA 29 -3.750 6.862 -2.492 201 HB1 ALA 29 3HB ALA 29 -5.708 7.908 -2.659 202 HB2 ALA 29 1HB ALA 29 -6.352 7.082 -1.240 203 HB3 ALA 29 2HB ALA 29 -5.401 8.555 -1.047 204 H SER 30 H SER 30 -4.359 6.455 0.969 205 HA SER 30 HA SER 30 -2.677 8.587 1.803 206 HB2 SER 30 1HB SER 30 -3.910 6.223 3.192 207 HB3 SER 30 2HB SER 30 -2.754 7.254 4.033 208 HG SER 30 HG SER 30 -4.120 8.984 3.767 209 H HIS 31 H HIS 31 -2.102 5.323 0.843 210 HA HIS 31 HA HIS 31 0.470 5.091 2.110 211 HB2 HIS 31 1HB HIS 31 -0.739 3.059 1.735 212 HB3 HIS 31 2HB HIS 31 -0.946 3.426 0.025 213 HD1 HIS 31 HD1 HIS 31 1.702 2.373 2.496 214 HD2 HIS 31 HD2 HIS 31 1.107 2.597 -1.610 215 HE1 HIS 31 HE1 HIS 31 3.652 1.162 1.467 216 H LEU 32 H LEU 32 -0.665 5.551 -1.230 217 HA LEU 32 HA LEU 32 1.672 5.600 -2.617 218 HB2 LEU 32 1HB LEU 32 -0.659 7.487 -2.912 219 HB3 LEU 32 2HB LEU 32 0.620 7.285 -4.108 220 HG LEU 32 HG LEU 32 -1.208 5.054 -3.234 221 HD11 LEU 32 1HD1 LEU 32 -2.042 5.585 -5.706 222 HD12 LEU 32 2HD1 LEU 32 -1.577 7.216 -5.222 223 HD13 LEU 32 3HD1 LEU 32 -2.770 6.322 -4.279 224 HD21 LEU 32 3HD2 LEU 32 1.061 5.322 -5.082 225 HD22 LEU 32 1HD2 LEU 32 -0.345 4.481 -5.735 226 HD23 LEU 32 2HD2 LEU 32 0.424 3.897 -4.259 227 H ARG 33 H ARG 33 0.675 7.823 -0.190 228 HA ARG 33 HA ARG 33 2.045 10.134 -0.822 229 HB2 ARG 33 1HB ARG 33 1.846 8.942 1.947 230 HB3 ARG 33 2HB ARG 33 2.056 10.640 1.539 231 HG2 ARG 33 1HG ARG 33 -0.335 9.255 0.465 232 HG3 ARG 33 2HG ARG 33 -0.297 9.621 2.192 233 HD2 ARG 33 1HD ARG 33 -1.287 11.514 1.300 234 HD3 ARG 33 2HD ARG 33 0.406 11.991 1.424 235 HE ARG 33 HE ARG 33 0.228 11.006 -1.087 236 HH11 ARG 33 1HH1 ARG 33 -1.605 13.376 0.687 237 HH12 ARG 33 2HH1 ARG 33 -2.010 14.305 -0.718 238 HH21 ARG 33 1HH2 ARG 33 -0.300 12.220 -2.944 239 HH22 ARG 33 2HH2 ARG 33 -1.268 13.646 -2.783 240 H ILE 34 H ILE 34 3.276 7.402 1.112 241 HA ILE 34 HA ILE 34 5.866 8.327 1.481 242 HB ILE 34 HB ILE 34 6.521 6.052 1.931 243 HG12 ILE 34 1HG1 ILE 34 3.881 4.961 1.065 244 HG13 ILE 34 2HG1 ILE 34 5.095 5.277 -0.170 245 HG21 ILE 34 1HG2 ILE 34 3.729 6.717 2.836 246 HG22 ILE 34 2HG2 ILE 34 4.668 5.377 3.492 247 HG23 ILE 34 3HG2 ILE 34 5.246 7.032 3.678 248 HD11 ILE 34 3HD1 ILE 34 5.337 3.021 0.431 249 HD12 ILE 34 1HD1 ILE 34 6.671 3.871 1.211 250 HD13 ILE 34 2HD1 ILE 34 5.260 3.389 2.154 251 H HIS 35 H HIS 35 4.355 7.216 -1.379 252 HA HIS 35 HA HIS 35 6.898 6.673 -2.711 253 HB2 HIS 35 1HB HIS 35 4.020 6.284 -3.511 254 HB3 HIS 35 2HB HIS 35 5.334 6.135 -4.673 255 HD1 HIS 35 HD1 HIS 35 7.197 4.260 -3.993 256 HD2 HIS 35 HD2 HIS 35 3.492 4.007 -2.130 257 HE1 HIS 35 HE1 HIS 35 7.063 1.922 -3.078 258 H THR 36 H THR 36 4.345 9.041 -2.571 259 HA THR 36 HA THR 36 5.868 10.720 -4.452 260 HB THR 36 HB THR 36 3.959 10.107 -5.708 261 HG1 THR 36 HG1 THR 36 3.977 12.210 -6.086 262 HG21 THR 36 3HG2 THR 36 2.647 10.117 -3.101 263 HG22 THR 36 1HG2 THR 36 2.252 9.212 -4.561 264 HG23 THR 36 2HG2 THR 36 1.678 10.869 -4.368 265 H GLY 37 H GLY 37 6.779 11.379 -2.288 266 HA2 GLY 37 1HA GLY 37 5.365 13.765 -1.409 267 HA3 GLY 37 2HA GLY 37 5.632 12.541 -0.176 268 H GLU 38 H GLU 38 8.197 11.684 -1.157 269 HA GLU 38 HA GLU 38 9.815 13.685 0.110 270 HB2 GLU 38 1HB GLU 38 10.647 11.144 -1.302 271 HB3 GLU 38 2HB GLU 38 11.664 12.121 -0.252 272 HG2 GLU 38 1HG GLU 38 10.423 11.542 1.662 273 HG3 GLU 38 2HG GLU 38 9.109 10.868 0.698 274 H LYS 39 H LYS 39 8.767 14.998 -1.944 275 HA LYS 39 HA LYS 39 10.805 15.025 -4.062 276 HB2 LYS 39 1HB LYS 39 9.125 16.413 -5.312 277 HB3 LYS 39 2HB LYS 39 8.614 14.765 -4.976 278 HG2 LYS 39 1HG LYS 39 7.342 15.634 -3.017 279 HG3 LYS 39 2HG LYS 39 7.744 17.268 -3.551 280 HD2 LYS 39 1HD LYS 39 6.527 15.415 -5.531 281 HD3 LYS 39 2HD LYS 39 5.486 16.070 -4.265 282 HE2 LYS 39 1HE LYS 39 7.254 17.802 -5.974 283 HE3 LYS 39 2HE LYS 39 5.607 17.380 -6.438 284 HZ1 LYS 39 3HZ LYS 39 6.430 18.850 -3.993 285 HZ2 LYS 39 1HZ LYS 39 4.846 18.359 -4.330 286 HZ3 LYS 39 2HZ LYS 39 5.611 19.490 -5.328 287 HA PRO 40 HA PRO 40 12.442 18.752 -2.339 288 HB2 PRO 40 1HB PRO 40 13.930 19.511 -4.479 289 HB3 PRO 40 2HB PRO 40 14.400 18.191 -3.401 290 HG2 PRO 40 1HG PRO 40 13.066 18.066 -6.078 291 HG3 PRO 40 2HG PRO 40 14.382 17.066 -5.436 292 HD2 PRO 40 1HD PRO 40 11.809 16.223 -5.501 293 HD3 PRO 40 2HD PRO 40 12.944 15.728 -4.229 294 H SER 41 H SER 41 10.523 19.984 -2.206 295 HA SER 41 HA SER 41 9.885 21.604 -4.578 296 HB2 SER 41 1HB SER 41 8.249 20.666 -2.246 297 HB3 SER 41 2HB SER 41 7.775 22.128 -3.112 298 HG SER 41 HG SER 41 6.801 20.682 -4.324 299 H GLY 42 H GLY 42 9.827 21.960 -1.023 300 HA2 GLY 42 1HA GLY 42 11.470 23.698 -0.193 301 HA3 GLY 42 2HA GLY 42 10.744 24.741 -1.406 302 HA PRO 43 HA PRO 43 7.966 26.167 1.684 303 HB2 PRO 43 1HB PRO 43 5.991 27.127 0.088 304 HB3 PRO 43 2HB PRO 43 7.549 27.939 0.282 305 HG2 PRO 43 1HG PRO 43 6.610 26.144 -1.922 306 HG3 PRO 43 2HG PRO 43 7.521 27.661 -2.026 307 HD2 PRO 43 1HD PRO 43 8.703 25.234 -2.238 308 HD3 PRO 43 2HD PRO 43 9.525 26.638 -1.528 309 H SER 44 H SER 44 5.492 26.099 2.129 310 HA SER 44 HA SER 44 4.694 23.299 1.928 311 HB2 SER 44 1HB SER 44 3.545 25.560 3.583 312 HB3 SER 44 2HB SER 44 3.037 23.874 3.667 313 HG SER 44 HG SER 44 5.530 23.660 4.014 314 H SER 45 H SER 45 4.491 24.667 -0.472 315 HA SER 45 HA SER 45 1.579 25.001 -0.778 316 HB2 SER 45 1HB SER 45 3.883 26.350 -2.168 317 HB3 SER 45 2HB SER 45 2.285 26.282 -2.912 318 HG SER 45 HG SER 45 2.422 27.124 -0.262 319 H GLY 46 H GLY 46 2.700 22.456 -0.788 320 HA2 GLY 46 1HA GLY 46 3.623 21.219 -2.965 321 HA3 GLY 46 2HA GLY 46 2.271 20.554 -2.061 Start of MODEL 7 1 H1 GLY 1 H GLY 1 3.704 -28.703 -13.979 2 HA2 GLY 1 1HA GLY 1 5.013 -26.826 -13.556 3 HA3 GLY 1 2HA GLY 1 3.429 -26.170 -13.172 4 H SER 2 H SER 2 6.378 -26.067 -12.073 5 HA SER 2 HA SER 2 5.949 -26.771 -9.299 6 HB2 SER 2 1HB SER 2 8.269 -25.594 -10.820 7 HB3 SER 2 2HB SER 2 8.275 -25.702 -9.060 8 HG SER 2 HG SER 2 7.603 -28.000 -10.485 9 H SER 3 H SER 3 4.092 -24.896 -10.167 10 HA SER 3 HA SER 3 4.718 -22.685 -8.374 11 HB2 SER 3 1HB SER 3 3.857 -22.283 -11.249 12 HB3 SER 3 2HB SER 3 3.903 -21.010 -10.030 13 HG SER 3 HG SER 3 6.101 -21.182 -9.935 14 H GLY 4 H GLY 4 3.091 -22.579 -6.984 15 HA2 GLY 4 1HA GLY 4 0.349 -22.598 -7.949 16 HA3 GLY 4 2HA GLY 4 0.780 -23.924 -6.879 17 H SER 5 H SER 5 0.001 -20.578 -7.115 18 HA SER 5 HA SER 5 0.165 -20.357 -4.180 19 HB2 SER 5 1HB SER 5 0.545 -17.929 -4.481 20 HB3 SER 5 2HB SER 5 1.824 -18.894 -5.219 21 HG SER 5 HG SER 5 -0.316 -17.551 -6.494 22 H SER 6 H SER 6 -2.007 -21.182 -4.119 23 HA SER 6 HA SER 6 -4.031 -19.234 -5.009 24 HB2 SER 6 1HB SER 6 -5.639 -21.153 -4.899 25 HB3 SER 6 2HB SER 6 -4.368 -21.359 -6.104 26 HG SER 6 HG SER 6 -4.959 -22.905 -3.986 27 H GLY 7 H GLY 7 -3.854 -17.950 -3.137 28 HA2 GLY 7 1HA GLY 7 -4.702 -19.258 -0.631 29 HA3 GLY 7 2HA GLY 7 -3.786 -17.761 -0.720 30 H SER 8 H SER 8 -4.870 -15.912 -0.529 31 HA SER 8 HA SER 8 -7.435 -15.428 -1.597 32 HB2 SER 8 1HB SER 8 -8.788 -15.349 0.410 33 HB3 SER 8 2HB SER 8 -8.085 -16.960 0.268 34 HG SER 8 HG SER 8 -6.335 -15.790 1.652 35 H GLY 9 H GLY 9 -8.383 -13.333 -0.636 36 HA2 GLY 9 1HA GLY 9 -7.130 -11.513 0.932 37 HA3 GLY 9 2HA GLY 9 -6.234 -11.406 -0.576 38 H GLU 10 H GLU 10 -8.743 -10.119 1.137 39 HA GLU 10 HA GLU 10 -10.342 -9.413 -1.205 40 HB2 GLU 10 1HB GLU 10 -11.825 -8.315 0.529 41 HB3 GLU 10 2HB GLU 10 -11.683 -10.063 0.637 42 HG2 GLU 10 1HG GLU 10 -10.176 -9.895 2.484 43 HG3 GLU 10 2HG GLU 10 -10.079 -8.144 2.305 44 H LYS 11 H LYS 11 -8.002 -8.297 -1.589 45 HA LYS 11 HA LYS 11 -8.316 -5.490 -0.743 46 HB2 LYS 11 1HB LYS 11 -5.877 -7.188 -1.105 47 HB3 LYS 11 2HB LYS 11 -5.765 -5.452 -1.365 48 HG2 LYS 11 1HG LYS 11 -5.213 -5.528 0.832 49 HG3 LYS 11 2HG LYS 11 -6.966 -5.389 0.991 50 HD2 LYS 11 1HD LYS 11 -6.501 -7.144 2.418 51 HD3 LYS 11 2HD LYS 11 -6.900 -7.995 0.924 52 HE2 LYS 11 1HE LYS 11 -4.557 -8.271 0.410 53 HE3 LYS 11 2HE LYS 11 -4.101 -7.299 1.808 54 HZ1 LYS 11 3HZ LYS 11 -5.475 -9.110 3.066 55 HZ2 LYS 11 1HZ LYS 11 -3.861 -9.393 2.642 56 HZ3 LYS 11 2HZ LYS 11 -5.108 -10.050 1.707 57 HA PRO 12 HA PRO 12 -9.023 -5.431 -5.258 58 HB2 PRO 12 1HB PRO 12 -10.614 -3.232 -5.184 59 HB3 PRO 12 2HB PRO 12 -11.215 -4.864 -4.869 60 HG2 PRO 12 1HG PRO 12 -10.452 -2.718 -2.926 61 HG3 PRO 12 2HG PRO 12 -11.850 -3.810 -2.895 62 HD2 PRO 12 1HD PRO 12 -9.640 -4.230 -1.388 63 HD3 PRO 12 2HD PRO 12 -10.622 -5.560 -2.033 64 H PHE 13 H PHE 13 -7.790 -3.108 -2.998 65 HA PHE 13 HA PHE 13 -6.738 -1.436 -5.164 66 HB2 PHE 13 1HB PHE 13 -6.873 -0.973 -2.179 67 HB3 PHE 13 2HB PHE 13 -6.132 0.141 -3.322 68 HD1 PHE 13 HD1 PHE 13 -7.579 1.161 -5.120 69 HD2 PHE 13 HD2 PHE 13 -9.175 -0.936 -1.777 70 HE1 PHE 13 HE1 PHE 13 -9.763 2.230 -5.496 71 HE2 PHE 13 HE2 PHE 13 -11.361 0.128 -2.149 72 HZ PHE 13 HZ PHE 13 -11.658 1.713 -4.011 73 H LYS 14 H LYS 14 -4.669 -1.518 -5.747 74 HA LYS 14 HA LYS 14 -2.714 -2.690 -3.891 75 HB2 LYS 14 1HB LYS 14 -3.297 -4.444 -5.461 76 HB3 LYS 14 2HB LYS 14 -3.033 -3.361 -6.822 77 HG2 LYS 14 1HG LYS 14 -0.621 -3.190 -5.759 78 HG3 LYS 14 2HG LYS 14 -1.067 -4.766 -5.100 79 HD2 LYS 14 1HD LYS 14 -1.819 -5.185 -7.607 80 HD3 LYS 14 2HD LYS 14 -0.610 -3.937 -7.920 81 HE2 LYS 14 1HE LYS 14 0.877 -5.400 -6.346 82 HE3 LYS 14 2HE LYS 14 -0.267 -6.673 -6.768 83 HZ1 LYS 14 3HZ LYS 14 1.538 -5.167 -8.563 84 HZ2 LYS 14 1HZ LYS 14 0.208 -6.029 -9.157 85 HZ3 LYS 14 2HZ LYS 14 1.441 -6.840 -8.331 86 H CYS 15 H CYS 15 -0.728 -1.740 -3.871 87 HA CYS 15 HA CYS 15 -0.494 0.859 -5.024 88 HB2 CYS 15 1HB CYS 15 0.490 0.051 -2.806 89 HB3 CYS 15 2HB CYS 15 1.750 -0.715 -3.768 90 H LYS 16 H LYS 16 0.224 1.381 -6.973 91 HA LYS 16 HA LYS 16 1.414 -0.641 -8.670 92 HB2 LYS 16 1HB LYS 16 -0.344 1.240 -9.267 93 HB3 LYS 16 2HB LYS 16 1.103 2.205 -9.525 94 HG2 LYS 16 1HG LYS 16 0.733 1.382 -11.628 95 HG3 LYS 16 2HG LYS 16 1.849 0.175 -10.985 96 HD2 LYS 16 1HD LYS 16 -0.084 -1.239 -10.378 97 HD3 LYS 16 2HD LYS 16 -1.158 -0.048 -11.116 98 HE2 LYS 16 1HE LYS 16 -0.871 -1.660 -12.780 99 HE3 LYS 16 2HE LYS 16 0.247 -0.375 -13.233 100 HZ1 LYS 16 3HZ LYS 16 2.063 -1.618 -12.345 101 HZ2 LYS 16 1HZ LYS 16 1.200 -2.637 -13.383 102 HZ3 LYS 16 2HZ LYS 16 1.032 -2.797 -11.707 103 H GLU 17 H GLU 17 2.851 0.645 -6.328 104 HA GLU 17 HA GLU 17 5.217 1.572 -7.822 105 HB2 GLU 17 1HB GLU 17 4.135 2.418 -5.144 106 HB3 GLU 17 2HB GLU 17 5.819 2.681 -5.577 107 HG2 GLU 17 1HG GLU 17 3.513 3.681 -7.224 108 HG3 GLU 17 2HG GLU 17 4.286 4.625 -5.951 109 H CYS 18 H CYS 18 4.176 -0.088 -4.852 110 HA CYS 18 HA CYS 18 6.706 -1.597 -4.910 111 HB2 CYS 18 1HB CYS 18 6.354 -1.970 -2.485 112 HB3 CYS 18 2HB CYS 18 6.506 -0.264 -2.890 113 H GLY 19 H GLY 19 3.220 -1.838 -4.322 114 HA2 GLY 19 1HA GLY 19 2.130 -3.753 -5.467 115 HA3 GLY 19 2HA GLY 19 3.440 -4.740 -4.838 116 H LYS 20 H LYS 20 2.235 -2.287 -2.764 117 HA LYS 20 HA LYS 20 1.471 -4.146 -0.773 118 HB2 LYS 20 1HB LYS 20 2.196 -1.600 -0.646 119 HB3 LYS 20 2HB LYS 20 0.458 -1.338 -0.709 120 HG2 LYS 20 1HG LYS 20 0.730 -1.447 1.539 121 HG3 LYS 20 2HG LYS 20 0.482 -3.163 1.207 122 HD2 LYS 20 1HD LYS 20 2.966 -3.413 1.068 123 HD3 LYS 20 2HD LYS 20 3.110 -1.739 1.608 124 HE2 LYS 20 1HE LYS 20 1.770 -2.381 3.631 125 HE3 LYS 20 2HE LYS 20 1.908 -4.059 3.108 126 HZ1 LYS 20 3HZ LYS 20 3.808 -4.105 4.228 127 HZ2 LYS 20 1HZ LYS 20 3.814 -2.429 4.458 128 HZ3 LYS 20 2HZ LYS 20 4.469 -3.090 3.046 129 H ALA 21 H ALA 21 -0.649 -4.383 0.196 130 HA ALA 21 HA ALA 21 -2.827 -4.079 -1.768 131 HB1 ALA 21 3HB ALA 21 -2.254 -6.332 0.137 132 HB2 ALA 21 1HB ALA 21 -3.825 -6.112 -0.635 133 HB3 ALA 21 2HB ALA 21 -2.388 -6.392 -1.620 134 H PHE 22 H PHE 22 -4.721 -3.208 -1.094 135 HA PHE 22 HA PHE 22 -5.032 -2.638 1.773 136 HB2 PHE 22 1HB PHE 22 -5.893 -0.632 -0.286 137 HB3 PHE 22 2HB PHE 22 -5.547 -0.388 1.423 138 HD1 PHE 22 HD1 PHE 22 -3.922 -1.220 -1.810 139 HD2 PHE 22 HD2 PHE 22 -3.474 0.408 2.097 140 HE1 PHE 22 HE1 PHE 22 -1.646 -0.481 -2.383 141 HE2 PHE 22 HE2 PHE 22 -1.198 1.151 1.530 142 HZ PHE 22 HZ PHE 22 -0.282 0.707 -0.712 143 H ARG 23 H ARG 23 -7.328 -1.875 2.253 144 HA ARG 23 HA ARG 23 -9.172 -3.655 0.825 145 HB2 ARG 23 1HB ARG 23 -9.241 -2.424 3.576 146 HB3 ARG 23 2HB ARG 23 -10.641 -3.214 2.864 147 HG2 ARG 23 1HG ARG 23 -9.526 -5.310 2.789 148 HG3 ARG 23 2HG ARG 23 -7.980 -4.569 3.209 149 HD2 ARG 23 1HD ARG 23 -9.205 -3.807 5.357 150 HD3 ARG 23 2HD ARG 23 -10.379 -5.053 4.936 151 HE ARG 23 HE ARG 23 -8.076 -6.412 4.827 152 HH11 ARG 23 1HH1 ARG 23 -9.372 -4.242 7.221 153 HH12 ARG 23 2HH1 ARG 23 -8.577 -5.022 8.548 154 HH21 ARG 23 1HH2 ARG 23 -7.023 -7.447 6.565 155 HH22 ARG 23 2HH2 ARG 23 -7.240 -6.844 8.173 156 H GLN 24 H GLN 24 -8.793 -0.323 1.923 157 HA GLN 24 HA GLN 24 -11.066 0.426 0.204 158 HB2 GLN 24 1HB GLN 24 -10.099 2.033 2.561 159 HB3 GLN 24 2HB GLN 24 -11.611 2.202 1.681 160 HG2 GLN 24 1HG GLN 24 -11.031 -0.356 3.088 161 HG3 GLN 24 2HG GLN 24 -11.541 1.049 4.022 162 HE21 GLN 24 1HE2 GLN 24 -12.434 -1.040 1.333 163 HE22 GLN 24 2HE2 GLN 24 -14.140 -0.814 1.486 164 H ASN 25 H ASN 25 -10.921 2.656 -0.683 165 HA ASN 25 HA ASN 25 -8.446 3.007 -2.030 166 HB2 ASN 25 1HB ASN 25 -9.489 4.861 -3.133 167 HB3 ASN 25 2HB ASN 25 -10.714 3.611 -2.945 168 HD21 ASN 25 1HD2 ASN 25 -10.527 6.722 -3.023 169 HD22 ASN 25 2HD2 ASN 25 -11.628 7.190 -1.776 170 H ILE 26 H ILE 26 -9.938 4.510 0.763 171 HA ILE 26 HA ILE 26 -8.365 6.786 1.020 172 HB ILE 26 HB ILE 26 -10.242 6.548 2.459 173 HG12 ILE 26 1HG1 ILE 26 -7.903 6.192 4.324 174 HG13 ILE 26 2HG1 ILE 26 -8.088 7.641 3.342 175 HG21 ILE 26 1HG2 ILE 26 -8.901 4.038 3.440 176 HG22 ILE 26 2HG2 ILE 26 -10.258 4.802 4.268 177 HG23 ILE 26 3HG2 ILE 26 -10.459 4.189 2.627 178 HD11 ILE 26 3HD1 ILE 26 -10.351 7.929 4.386 179 HD12 ILE 26 1HD1 ILE 26 -9.916 6.632 5.499 180 HD13 ILE 26 2HD1 ILE 26 -8.977 8.125 5.474 181 H HIS 27 H HIS 27 -7.683 3.452 1.903 182 HA HIS 27 HA HIS 27 -5.324 3.986 3.389 183 HB2 HIS 27 1HB HIS 27 -6.304 1.488 1.999 184 HB3 HIS 27 2HB HIS 27 -4.856 1.540 3.000 185 HD1 HIS 27 HD1 HIS 27 -7.115 -0.309 3.816 186 HD2 HIS 27 HD2 HIS 27 -6.790 3.614 5.142 187 HE1 HIS 27 HE1 HIS 27 -8.427 -0.213 5.959 188 H LEU 28 H LEU 28 -5.861 2.926 0.036 189 HA LEU 28 HA LEU 28 -3.189 2.757 -0.741 190 HB2 LEU 28 1HB LEU 28 -4.924 1.852 -2.119 191 HB3 LEU 28 2HB LEU 28 -5.658 3.441 -2.323 192 HG LEU 28 HG LEU 28 -3.571 4.123 -3.561 193 HD11 LEU 28 1HD1 LEU 28 -2.443 1.999 -4.583 194 HD12 LEU 28 2HD1 LEU 28 -2.982 1.239 -3.086 195 HD13 LEU 28 3HD1 LEU 28 -1.906 2.634 -3.027 196 HD21 LEU 28 3HD2 LEU 28 -5.282 1.897 -4.659 197 HD22 LEU 28 1HD2 LEU 28 -4.231 2.927 -5.631 198 HD23 LEU 28 2HD2 LEU 28 -5.595 3.630 -4.761 199 H ALA 29 H ALA 29 -5.451 5.477 -1.194 200 HA ALA 29 HA ALA 29 -3.635 7.271 -2.314 201 HB1 ALA 29 3HB ALA 29 -5.830 7.946 -2.511 202 HB2 ALA 29 1HB ALA 29 -6.204 7.588 -0.825 203 HB3 ALA 29 2HB ALA 29 -5.246 9.012 -1.232 204 H SER 30 H SER 30 -4.237 6.418 1.031 205 HA SER 30 HA SER 30 -2.665 8.576 2.102 206 HB2 SER 30 1HB SER 30 -4.145 6.241 3.215 207 HB3 SER 30 2HB SER 30 -2.856 6.934 4.199 208 HG SER 30 HG SER 30 -4.580 8.119 4.747 209 H HIS 31 H HIS 31 -1.992 5.549 0.736 210 HA HIS 31 HA HIS 31 0.539 5.237 2.159 211 HB2 HIS 31 1HB HIS 31 -0.702 3.199 1.851 212 HB3 HIS 31 2HB HIS 31 -0.873 3.503 0.125 213 HD1 HIS 31 HD1 HIS 31 1.876 2.793 2.649 214 HD2 HIS 31 HD2 HIS 31 1.054 2.346 -1.399 215 HE1 HIS 31 HE1 HIS 31 3.801 1.473 1.713 216 H LEU 32 H LEU 32 -0.609 5.488 -1.205 217 HA LEU 32 HA LEU 32 1.738 5.549 -2.577 218 HB2 LEU 32 1HB LEU 32 -0.657 7.326 -3.013 219 HB3 LEU 32 2HB LEU 32 0.633 7.072 -4.186 220 HG LEU 32 HG LEU 32 -1.049 4.806 -3.150 221 HD11 LEU 32 1HD1 LEU 32 -1.573 6.390 -5.656 222 HD12 LEU 32 2HD1 LEU 32 -2.478 6.589 -4.156 223 HD13 LEU 32 3HD1 LEU 32 -2.518 5.048 -5.012 224 HD21 LEU 32 3HD2 LEU 32 0.303 5.030 -5.813 225 HD22 LEU 32 1HD2 LEU 32 -0.189 3.585 -4.929 226 HD23 LEU 32 2HD2 LEU 32 1.200 4.523 -4.381 227 H ARG 33 H ARG 33 0.635 7.866 -0.293 228 HA ARG 33 HA ARG 33 1.993 10.163 -1.107 229 HB2 ARG 33 1HB ARG 33 1.774 9.444 1.794 230 HB3 ARG 33 2HB ARG 33 1.585 11.012 1.022 231 HG2 ARG 33 1HG ARG 33 -0.482 9.782 -0.100 232 HG3 ARG 33 2HG ARG 33 -0.371 8.819 1.375 233 HD2 ARG 33 1HD ARG 33 -0.361 11.816 1.462 234 HD3 ARG 33 2HD ARG 33 -1.871 10.909 1.385 235 HE ARG 33 HE ARG 33 -0.090 10.049 3.477 236 HH11 ARG 33 1HH1 ARG 33 -2.636 12.253 2.593 237 HH12 ARG 33 2HH1 ARG 33 -3.168 12.498 4.223 238 HH21 ARG 33 1HH2 ARG 33 -0.780 10.365 5.628 239 HH22 ARG 33 2HH2 ARG 33 -2.110 11.425 5.949 240 H ILE 34 H ILE 34 3.068 7.592 1.111 241 HA ILE 34 HA ILE 34 5.615 8.609 1.635 242 HB ILE 34 HB ILE 34 6.228 6.419 2.396 243 HG12 ILE 34 1HG1 ILE 34 3.723 5.147 1.409 244 HG13 ILE 34 2HG1 ILE 34 5.013 5.412 0.240 245 HG21 ILE 34 1HG2 ILE 34 3.625 7.572 3.044 246 HG22 ILE 34 2HG2 ILE 34 3.773 5.869 3.474 247 HG23 ILE 34 3HG2 ILE 34 4.928 7.041 4.108 248 HD11 ILE 34 3HD1 ILE 34 6.470 3.981 1.346 249 HD12 ILE 34 1HD1 ILE 34 5.544 4.044 2.846 250 HD13 ILE 34 2HD1 ILE 34 4.910 3.165 1.454 251 H HIS 35 H HIS 35 4.350 7.116 -1.189 252 HA HIS 35 HA HIS 35 6.895 6.283 -2.252 253 HB2 HIS 35 1HB HIS 35 4.070 6.276 -3.204 254 HB3 HIS 35 2HB HIS 35 5.347 6.195 -4.415 255 HD1 HIS 35 HD1 HIS 35 7.046 4.124 -4.132 256 HD2 HIS 35 HD2 HIS 35 3.495 3.904 -1.986 257 HE1 HIS 35 HE1 HIS 35 6.805 1.708 -3.476 258 H THR 36 H THR 36 4.761 9.052 -2.548 259 HA THR 36 HA THR 36 6.466 10.253 -4.590 260 HB THR 36 HB THR 36 3.888 10.345 -4.611 261 HG1 THR 36 HG1 THR 36 4.829 11.623 -6.091 262 HG21 THR 36 3HG2 THR 36 3.661 11.087 -2.260 263 HG22 THR 36 1HG2 THR 36 2.880 12.185 -3.397 264 HG23 THR 36 2HG2 THR 36 4.439 12.609 -2.690 265 H GLY 37 H GLY 37 6.254 10.149 -1.242 266 HA2 GLY 37 1HA GLY 37 8.145 12.345 -1.009 267 HA3 GLY 37 2HA GLY 37 6.625 12.563 -0.154 268 H GLU 38 H GLU 38 9.746 11.386 0.061 269 HA GLU 38 HA GLU 38 9.053 9.689 2.368 270 HB2 GLU 38 1HB GLU 38 10.200 8.389 0.713 271 HB3 GLU 38 2HB GLU 38 11.441 9.620 0.524 272 HG2 GLU 38 1HG GLU 38 12.314 9.166 2.705 273 HG3 GLU 38 2HG GLU 38 10.981 8.068 3.058 274 H LYS 39 H LYS 39 9.877 10.151 4.337 275 HA LYS 39 HA LYS 39 12.108 11.944 4.672 276 HB2 LYS 39 1HB LYS 39 10.757 13.515 6.133 277 HB3 LYS 39 2HB LYS 39 10.486 13.650 4.400 278 HG2 LYS 39 1HG LYS 39 8.331 13.663 5.076 279 HG3 LYS 39 2HG LYS 39 8.552 11.915 4.971 280 HD2 LYS 39 1HD LYS 39 7.664 12.046 7.067 281 HD3 LYS 39 2HD LYS 39 9.370 12.247 7.473 282 HE2 LYS 39 1HE LYS 39 8.305 13.956 8.653 283 HE3 LYS 39 2HE LYS 39 8.932 14.760 7.215 284 HZ1 LYS 39 3HZ LYS 39 6.295 14.661 8.111 285 HZ2 LYS 39 1HZ LYS 39 6.357 13.788 6.663 286 HZ3 LYS 39 2HZ LYS 39 6.889 15.393 6.706 287 HA PRO 40 HA PRO 40 12.516 9.345 8.216 288 HB2 PRO 40 1HB PRO 40 14.436 10.764 9.508 289 HB3 PRO 40 2HB PRO 40 14.768 9.780 8.077 290 HG2 PRO 40 1HG PRO 40 14.342 12.736 8.287 291 HG3 PRO 40 2HG PRO 40 15.547 11.843 7.341 292 HD2 PRO 40 1HD PRO 40 13.288 12.853 6.242 293 HD3 PRO 40 2HD PRO 40 14.050 11.361 5.656 294 H SER 41 H SER 41 10.429 9.738 9.120 295 HA SER 41 HA SER 41 10.471 10.949 11.665 296 HB2 SER 41 1HB SER 41 10.245 12.915 9.896 297 HB3 SER 41 2HB SER 41 8.551 12.425 9.916 298 HG SER 41 HG SER 41 8.523 12.786 12.145 299 H GLY 42 H GLY 42 8.965 9.992 12.893 300 HA2 GLY 42 1HA GLY 42 6.862 9.094 13.420 301 HA3 GLY 42 2HA GLY 42 6.456 9.098 11.710 302 HA PRO 43 HA PRO 43 7.650 4.787 13.258 303 HB2 PRO 43 1HB PRO 43 5.196 3.649 13.032 304 HB3 PRO 43 2HB PRO 43 5.757 4.436 14.512 305 HG2 PRO 43 1HG PRO 43 3.973 5.504 12.358 306 HG3 PRO 43 2HG PRO 43 3.815 5.652 14.118 307 HD2 PRO 43 1HD PRO 43 4.795 7.646 12.571 308 HD3 PRO 43 2HD PRO 43 5.343 7.373 14.238 309 H SER 44 H SER 44 8.531 3.608 11.689 310 HA SER 44 HA SER 44 7.019 2.971 9.294 311 HB2 SER 44 1HB SER 44 8.765 3.728 7.756 312 HB3 SER 44 2HB SER 44 8.165 5.083 8.711 313 HG SER 44 HG SER 44 10.589 3.656 9.034 314 H SER 45 H SER 45 7.144 0.828 9.307 315 HA SER 45 HA SER 45 9.690 -0.480 9.088 316 HB2 SER 45 1HB SER 45 9.135 -0.127 11.631 317 HB3 SER 45 2HB SER 45 8.030 -1.478 11.376 318 HG SER 45 HG SER 45 10.138 -2.135 12.056 319 H GLY 46 H GLY 46 9.445 -2.837 8.730 320 HA2 GLY 46 1HA GLY 46 6.810 -3.408 7.520 321 HA3 GLY 46 2HA GLY 46 8.335 -4.001 6.879 Start of MODEL 8 1 H1 GLY 1 H GLY 1 1.796 -6.142 -18.501 2 HA2 GLY 1 1HA GLY 1 3.227 -7.919 -17.979 3 HA3 GLY 1 2HA GLY 1 4.603 -6.854 -18.225 4 H SER 2 H SER 2 3.456 -8.707 -15.980 5 HA SER 2 HA SER 2 3.914 -6.780 -13.796 6 HB2 SER 2 1HB SER 2 1.591 -7.678 -13.858 7 HB3 SER 2 2HB SER 2 2.246 -9.304 -13.667 8 HG SER 2 HG SER 2 1.585 -7.733 -11.749 9 H SER 3 H SER 3 5.451 -7.247 -12.322 10 HA SER 3 HA SER 3 6.681 -9.916 -12.391 11 HB2 SER 3 1HB SER 3 8.187 -7.289 -12.352 12 HB3 SER 3 2HB SER 3 8.916 -8.891 -12.236 13 HG SER 3 HG SER 3 9.040 -8.480 -14.348 14 H GLY 4 H GLY 4 4.794 -9.094 -10.524 15 HA2 GLY 4 1HA GLY 4 6.263 -8.265 -8.140 16 HA3 GLY 4 2HA GLY 4 4.522 -8.465 -8.273 17 H SER 5 H SER 5 4.396 -11.054 -9.288 18 HA SER 5 HA SER 5 4.079 -13.131 -8.358 19 HB2 SER 5 1HB SER 5 6.258 -13.344 -9.476 20 HB3 SER 5 2HB SER 5 7.070 -12.811 -8.004 21 HG SER 5 HG SER 5 7.137 -14.945 -7.787 22 H SER 6 H SER 6 3.450 -11.172 -6.496 23 HA SER 6 HA SER 6 4.765 -11.529 -4.009 24 HB2 SER 6 1HB SER 6 1.966 -10.524 -4.579 25 HB3 SER 6 2HB SER 6 2.826 -10.348 -3.049 26 HG SER 6 HG SER 6 3.045 -8.471 -4.284 27 H GLY 7 H GLY 7 1.623 -12.730 -5.201 28 HA2 GLY 7 1HA GLY 7 1.434 -15.245 -4.733 29 HA3 GLY 7 2HA GLY 7 1.688 -14.758 -3.064 30 H SER 8 H SER 8 0.136 -12.512 -2.865 31 HA SER 8 HA SER 8 -2.515 -13.691 -2.885 32 HB2 SER 8 1HB SER 8 -3.161 -11.777 -1.510 33 HB3 SER 8 2HB SER 8 -1.686 -12.506 -0.875 34 HG SER 8 HG SER 8 -1.933 -10.139 -2.414 35 H GLY 9 H GLY 9 -4.395 -12.322 -3.541 36 HA2 GLY 9 1HA GLY 9 -4.080 -10.174 -5.361 37 HA3 GLY 9 2HA GLY 9 -4.280 -11.679 -6.246 38 H GLU 10 H GLU 10 -5.766 -9.993 -3.475 39 HA GLU 10 HA GLU 10 -8.392 -10.576 -4.666 40 HB2 GLU 10 1HB GLU 10 -7.663 -11.993 -2.595 41 HB3 GLU 10 2HB GLU 10 -8.028 -10.530 -1.692 42 HG2 GLU 10 1HG GLU 10 -10.308 -10.556 -2.616 43 HG3 GLU 10 2HG GLU 10 -9.932 -12.065 -3.445 44 H LYS 11 H LYS 11 -6.562 -8.562 -2.399 45 HA LYS 11 HA LYS 11 -8.422 -6.627 -1.804 46 HB2 LYS 11 1HB LYS 11 -5.444 -6.541 -2.141 47 HB3 LYS 11 2HB LYS 11 -6.331 -5.057 -1.815 48 HG2 LYS 11 1HG LYS 11 -5.732 -5.721 0.299 49 HG3 LYS 11 2HG LYS 11 -7.349 -6.416 0.155 50 HD2 LYS 11 1HD LYS 11 -6.415 -8.577 -0.385 51 HD3 LYS 11 2HD LYS 11 -4.783 -7.905 -0.402 52 HE2 LYS 11 1HE LYS 11 -5.267 -7.219 2.028 53 HE3 LYS 11 2HE LYS 11 -6.615 -8.351 1.933 54 HZ1 LYS 11 3HZ LYS 11 -5.243 -10.070 2.144 55 HZ2 LYS 11 1HZ LYS 11 -4.033 -8.966 2.567 56 HZ3 LYS 11 2HZ LYS 11 -4.179 -9.487 0.965 57 HA PRO 12 HA PRO 12 -9.369 -4.675 -5.646 58 HB2 PRO 12 1HB PRO 12 -10.456 -2.391 -4.659 59 HB3 PRO 12 2HB PRO 12 -11.292 -3.948 -4.621 60 HG2 PRO 12 1HG PRO 12 -9.767 -2.562 -2.449 61 HG3 PRO 12 2HG PRO 12 -11.317 -3.417 -2.357 62 HD2 PRO 12 1HD PRO 12 -8.984 -4.543 -1.568 63 HD3 PRO 12 2HD PRO 12 -10.313 -5.490 -2.268 64 H PHE 13 H PHE 13 -7.809 -2.700 -3.129 65 HA PHE 13 HA PHE 13 -6.591 -1.015 -5.174 66 HB2 PHE 13 1HB PHE 13 -6.366 -0.800 -2.166 67 HB3 PHE 13 2HB PHE 13 -5.898 0.418 -3.348 68 HD1 PHE 13 HD1 PHE 13 -7.650 1.585 -4.668 69 HD2 PHE 13 HD2 PHE 13 -8.597 -1.000 -1.422 70 HE1 PHE 13 HE1 PHE 13 -9.900 2.573 -4.542 71 HE2 PHE 13 HE2 PHE 13 -10.849 -0.018 -1.292 72 HZ PHE 13 HZ PHE 13 -11.503 1.770 -2.853 73 H LYS 14 H LYS 14 -4.512 -1.124 -5.774 74 HA LYS 14 HA LYS 14 -2.617 -2.634 -4.132 75 HB2 LYS 14 1HB LYS 14 -3.377 -4.296 -5.682 76 HB3 LYS 14 2HB LYS 14 -3.234 -3.182 -7.036 77 HG2 LYS 14 1HG LYS 14 -1.338 -4.392 -7.341 78 HG3 LYS 14 2HG LYS 14 -0.706 -3.137 -6.273 79 HD2 LYS 14 1HD LYS 14 -0.619 -4.553 -4.446 80 HD3 LYS 14 2HD LYS 14 -1.838 -5.645 -5.106 81 HE2 LYS 14 1HE LYS 14 0.841 -5.312 -6.414 82 HE3 LYS 14 2HE LYS 14 0.610 -6.428 -5.070 83 HZ1 LYS 14 3HZ LYS 14 0.342 -7.273 -7.478 84 HZ2 LYS 14 1HZ LYS 14 -1.184 -6.546 -7.401 85 HZ3 LYS 14 2HZ LYS 14 -0.773 -7.768 -6.307 86 H CYS 15 H CYS 15 -0.596 -1.804 -4.123 87 HA CYS 15 HA CYS 15 -0.189 0.723 -5.472 88 HB2 CYS 15 1HB CYS 15 0.487 0.155 -3.055 89 HB3 CYS 15 2HB CYS 15 1.842 -0.711 -3.771 90 H LYS 16 H LYS 16 0.406 0.668 -7.540 91 HA LYS 16 HA LYS 16 1.756 -1.496 -8.767 92 HB2 LYS 16 1HB LYS 16 1.867 -0.092 -10.732 93 HB3 LYS 16 2HB LYS 16 0.290 0.097 -9.977 94 HG2 LYS 16 1HG LYS 16 1.478 2.132 -8.798 95 HG3 LYS 16 2HG LYS 16 2.530 2.033 -10.212 96 HD2 LYS 16 1HD LYS 16 -0.450 2.037 -10.522 97 HD3 LYS 16 2HD LYS 16 0.433 3.550 -10.306 98 HE2 LYS 16 1HE LYS 16 1.816 3.013 -12.254 99 HE3 LYS 16 2HE LYS 16 0.932 1.503 -12.466 100 HZ1 LYS 16 3HZ LYS 16 0.084 3.174 -13.955 101 HZ2 LYS 16 1HZ LYS 16 -0.199 4.241 -12.673 102 HZ3 LYS 16 2HZ LYS 16 -1.096 2.813 -12.798 103 H GLU 17 H GLU 17 2.872 1.012 -6.801 104 HA GLU 17 HA GLU 17 5.490 1.267 -7.966 105 HB2 GLU 17 1HB GLU 17 4.336 2.190 -5.333 106 HB3 GLU 17 2HB GLU 17 5.988 2.517 -5.835 107 HG2 GLU 17 1HG GLU 17 4.747 3.461 -7.979 108 HG3 GLU 17 2HG GLU 17 3.443 3.669 -6.812 109 H CYS 18 H CYS 18 4.444 0.112 -4.755 110 HA CYS 18 HA CYS 18 6.840 -1.561 -4.629 111 HB2 CYS 18 1HB CYS 18 6.292 -1.817 -2.246 112 HB3 CYS 18 2HB CYS 18 6.390 -0.120 -2.703 113 H GLY 19 H GLY 19 3.312 -1.806 -4.312 114 HA2 GLY 19 1HA GLY 19 2.271 -3.727 -5.452 115 HA3 GLY 19 2HA GLY 19 3.583 -4.706 -4.814 116 H LYS 20 H LYS 20 2.235 -2.279 -2.771 117 HA LYS 20 HA LYS 20 1.423 -4.236 -0.849 118 HB2 LYS 20 1HB LYS 20 2.373 -2.030 -0.227 119 HB3 LYS 20 2HB LYS 20 0.930 -1.252 -0.863 120 HG2 LYS 20 1HG LYS 20 -0.423 -2.100 0.842 121 HG3 LYS 20 2HG LYS 20 0.767 -3.321 1.299 122 HD2 LYS 20 1HD LYS 20 2.277 -1.507 2.050 123 HD3 LYS 20 2HD LYS 20 1.009 -0.336 1.678 124 HE2 LYS 20 1HE LYS 20 0.928 -0.795 4.023 125 HE3 LYS 20 2HE LYS 20 -0.477 -1.551 3.272 126 HZ1 LYS 20 3HZ LYS 20 0.173 -3.379 4.338 127 HZ2 LYS 20 1HZ LYS 20 1.708 -2.757 4.685 128 HZ3 LYS 20 2HZ LYS 20 1.414 -3.498 3.194 129 H ALA 21 H ALA 21 -0.693 -4.526 0.012 130 HA ALA 21 HA ALA 21 -2.835 -3.899 -1.915 131 HB1 ALA 21 3HB ALA 21 -2.576 -6.223 -1.997 132 HB2 ALA 21 1HB ALA 21 -2.354 -6.350 -0.251 133 HB3 ALA 21 2HB ALA 21 -3.945 -5.974 -0.914 134 H PHE 22 H PHE 22 -4.805 -3.190 -1.145 135 HA PHE 22 HA PHE 22 -5.027 -2.732 1.749 136 HB2 PHE 22 1HB PHE 22 -5.959 -0.645 -0.197 137 HB3 PHE 22 2HB PHE 22 -5.582 -0.474 1.514 138 HD1 PHE 22 HD1 PHE 22 -4.004 -1.160 -1.779 139 HD2 PHE 22 HD2 PHE 22 -3.514 0.335 2.176 140 HE1 PHE 22 HE1 PHE 22 -1.748 -0.369 -2.361 141 HE2 PHE 22 HE2 PHE 22 -1.258 1.130 1.600 142 HZ PHE 22 HZ PHE 22 -0.372 0.779 -0.671 143 H ARG 23 H ARG 23 -7.392 -1.698 2.088 144 HA ARG 23 HA ARG 23 -9.264 -3.418 0.597 145 HB2 ARG 23 1HB ARG 23 -9.195 -2.751 3.538 146 HB3 ARG 23 2HB ARG 23 -10.615 -3.425 2.750 147 HG2 ARG 23 1HG ARG 23 -9.665 -5.339 3.517 148 HG3 ARG 23 2HG ARG 23 -8.873 -5.237 1.943 149 HD2 ARG 23 1HD ARG 23 -6.891 -4.349 2.903 150 HD3 ARG 23 2HD ARG 23 -7.684 -4.085 4.456 151 HE ARG 23 HE ARG 23 -6.604 -6.569 3.447 152 HH11 ARG 23 1HH1 ARG 23 -8.716 -5.041 5.755 153 HH12 ARG 23 2HH1 ARG 23 -8.681 -6.371 6.864 154 HH21 ARG 23 1HH2 ARG 23 -6.550 -8.327 4.900 155 HH22 ARG 23 2HH2 ARG 23 -7.448 -8.240 6.377 156 H GLN 24 H GLN 24 -8.591 -0.300 1.965 157 HA GLN 24 HA GLN 24 -11.116 0.711 0.830 158 HB2 GLN 24 1HB GLN 24 -9.590 1.912 3.144 159 HB3 GLN 24 2HB GLN 24 -11.151 2.433 2.526 160 HG2 GLN 24 1HG GLN 24 -11.799 -0.067 3.096 161 HG3 GLN 24 2HG GLN 24 -10.460 0.110 4.229 162 HE21 GLN 24 1HE2 GLN 24 -12.815 -0.359 5.318 163 HE22 GLN 24 2HE2 GLN 24 -13.485 1.061 6.038 164 H ASN 25 H ASN 25 -11.058 2.638 -0.326 165 HA ASN 25 HA ASN 25 -8.767 3.129 -1.854 166 HB2 ASN 25 1HB ASN 25 -11.081 3.704 -2.552 167 HB3 ASN 25 2HB ASN 25 -11.088 5.011 -1.372 168 HD21 ASN 25 1HD2 ASN 25 -11.576 5.557 -3.978 169 HD22 ASN 25 2HD2 ASN 25 -10.248 6.421 -4.666 170 H ILE 26 H ILE 26 -9.883 4.527 1.147 171 HA ILE 26 HA ILE 26 -8.184 6.794 1.158 172 HB ILE 26 HB ILE 26 -10.050 6.815 2.635 173 HG12 ILE 26 1HG1 ILE 26 -7.710 6.376 4.482 174 HG13 ILE 26 2HG1 ILE 26 -7.793 7.771 3.412 175 HG21 ILE 26 1HG2 ILE 26 -10.708 4.727 3.211 176 HG22 ILE 26 2HG2 ILE 26 -9.057 4.137 3.391 177 HG23 ILE 26 3HG2 ILE 26 -9.795 5.098 4.673 178 HD11 ILE 26 3HD1 ILE 26 -9.720 7.056 5.606 179 HD12 ILE 26 1HD1 ILE 26 -8.575 8.396 5.583 180 HD13 ILE 26 2HD1 ILE 26 -9.944 8.386 4.471 181 H HIS 27 H HIS 27 -7.715 3.449 1.977 182 HA HIS 27 HA HIS 27 -5.357 3.794 3.538 183 HB2 HIS 27 1HB HIS 27 -6.538 1.418 2.102 184 HB3 HIS 27 2HB HIS 27 -5.037 1.320 3.018 185 HD1 HIS 27 HD1 HIS 27 -7.145 -0.455 4.037 186 HD2 HIS 27 HD2 HIS 27 -6.924 3.527 5.200 187 HE1 HIS 27 HE1 HIS 27 -8.387 -0.322 6.220 188 H LEU 28 H LEU 28 -5.931 2.916 0.143 189 HA LEU 28 HA LEU 28 -3.196 2.680 -0.547 190 HB2 LEU 28 1HB LEU 28 -4.793 1.625 -1.939 191 HB3 LEU 28 2HB LEU 28 -5.689 3.125 -2.168 192 HG LEU 28 HG LEU 28 -3.580 3.962 -3.377 193 HD11 LEU 28 1HD1 LEU 28 -3.073 0.992 -3.386 194 HD12 LEU 28 2HD1 LEU 28 -2.043 2.242 -2.689 195 HD13 LEU 28 3HD1 LEU 28 -2.266 2.157 -4.436 196 HD21 LEU 28 3HD2 LEU 28 -5.105 1.721 -4.687 197 HD22 LEU 28 1HD2 LEU 28 -4.375 3.129 -5.459 198 HD23 LEU 28 2HD2 LEU 28 -5.777 3.328 -4.408 199 H ALA 29 H ALA 29 -5.540 5.320 -0.956 200 HA ALA 29 HA ALA 29 -3.828 7.124 -2.245 201 HB1 ALA 29 3HB ALA 29 -5.432 8.810 -1.735 202 HB2 ALA 29 1HB ALA 29 -6.317 7.317 -2.049 203 HB3 ALA 29 2HB ALA 29 -6.080 7.870 -0.391 204 H SER 30 H SER 30 -4.361 6.454 1.171 205 HA SER 30 HA SER 30 -2.752 8.648 2.083 206 HB2 SER 30 1HB SER 30 -4.652 7.463 3.358 207 HB3 SER 30 2HB SER 30 -3.456 6.219 3.722 208 HG SER 30 HG SER 30 -3.712 8.017 5.282 209 H HIS 31 H HIS 31 -2.109 5.536 0.882 210 HA HIS 31 HA HIS 31 0.449 5.283 2.251 211 HB2 HIS 31 1HB HIS 31 -0.686 3.215 2.023 212 HB3 HIS 31 2HB HIS 31 -1.059 3.518 0.328 213 HD1 HIS 31 HD1 HIS 31 1.871 2.668 2.560 214 HD2 HIS 31 HD2 HIS 31 0.803 2.590 -1.454 215 HE1 HIS 31 HE1 HIS 31 3.727 1.434 1.395 216 H LEU 32 H LEU 32 -0.725 5.480 -1.107 217 HA LEU 32 HA LEU 32 1.612 5.526 -2.496 218 HB2 LEU 32 1HB LEU 32 -0.796 7.281 -2.943 219 HB3 LEU 32 2HB LEU 32 0.489 7.024 -4.120 220 HG LEU 32 HG LEU 32 -1.143 4.742 -3.047 221 HD11 LEU 32 1HD1 LEU 32 -2.368 5.041 -5.308 222 HD12 LEU 32 2HD1 LEU 32 -1.836 6.717 -5.182 223 HD13 LEU 32 3HD1 LEU 32 -2.858 6.020 -3.925 224 HD21 LEU 32 3HD2 LEU 32 0.944 5.131 -5.051 225 HD22 LEU 32 1HD2 LEU 32 -0.459 4.247 -5.653 226 HD23 LEU 32 2HD2 LEU 32 0.412 3.660 -4.236 227 H ARG 33 H ARG 33 0.413 7.968 -0.347 228 HA ARG 33 HA ARG 33 1.832 10.204 -1.196 229 HB2 ARG 33 1HB ARG 33 1.533 9.643 1.728 230 HB3 ARG 33 2HB ARG 33 1.324 11.156 0.856 231 HG2 ARG 33 1HG ARG 33 -0.686 9.799 -0.229 232 HG3 ARG 33 2HG ARG 33 -0.587 8.944 1.311 233 HD2 ARG 33 1HD ARG 33 -0.830 11.030 2.519 234 HD3 ARG 33 2HD ARG 33 -0.823 11.935 1.006 235 HE ARG 33 HE ARG 33 -3.045 10.607 2.189 236 HH11 ARG 33 1HH1 ARG 33 -1.610 11.456 -0.867 237 HH12 ARG 33 2HH1 ARG 33 -3.116 11.455 -1.723 238 HH21 ARG 33 1HH2 ARG 33 -5.034 10.603 1.074 239 HH22 ARG 33 2HH2 ARG 33 -5.064 10.971 -0.617 240 H ILE 34 H ILE 34 2.849 7.522 0.869 241 HA ILE 34 HA ILE 34 5.368 8.595 1.578 242 HB ILE 34 HB ILE 34 5.926 6.455 2.421 243 HG12 ILE 34 1HG1 ILE 34 4.130 4.561 1.783 244 HG13 ILE 34 2HG1 ILE 34 4.073 5.509 0.301 245 HG21 ILE 34 1HG2 ILE 34 3.531 5.732 3.353 246 HG22 ILE 34 2HG2 ILE 34 4.392 7.156 3.933 247 HG23 ILE 34 3HG2 ILE 34 3.117 7.328 2.727 248 HD11 ILE 34 3HD1 ILE 34 6.714 4.692 1.403 249 HD12 ILE 34 1HD1 ILE 34 5.727 3.513 0.540 250 HD13 ILE 34 2HD1 ILE 34 6.233 4.999 -0.266 251 H HIS 35 H HIS 35 4.201 7.418 -1.358 252 HA HIS 35 HA HIS 35 6.879 6.695 -2.318 253 HB2 HIS 35 1HB HIS 35 4.119 6.218 -3.439 254 HB3 HIS 35 2HB HIS 35 5.582 5.930 -4.375 255 HD1 HIS 35 HD1 HIS 35 7.367 4.312 -2.838 256 HD2 HIS 35 HD2 HIS 35 3.265 3.939 -2.293 257 HE1 HIS 35 HE1 HIS 35 7.031 2.048 -1.795 258 H THR 36 H THR 36 4.380 9.082 -2.599 259 HA THR 36 HA THR 36 5.582 10.310 -4.946 260 HB THR 36 HB THR 36 3.733 12.099 -4.339 261 HG1 THR 36 HG1 THR 36 3.111 11.197 -2.362 262 HG21 THR 36 3HG2 THR 36 3.038 9.365 -5.421 263 HG22 THR 36 1HG2 THR 36 3.764 10.677 -6.348 264 HG23 THR 36 2HG2 THR 36 2.135 10.854 -5.697 265 H GLY 37 H GLY 37 7.363 10.242 -2.837 266 HA2 GLY 37 1HA GLY 37 8.047 12.998 -2.607 267 HA3 GLY 37 2HA GLY 37 7.427 12.378 -1.083 268 H GLU 38 H GLU 38 9.255 10.437 -3.358 269 HA GLU 38 HA GLU 38 11.356 10.169 -1.326 270 HB2 GLU 38 1HB GLU 38 11.840 8.044 -2.198 271 HB3 GLU 38 2HB GLU 38 10.086 8.147 -2.253 272 HG2 GLU 38 1HG GLU 38 10.580 7.250 -4.307 273 HG3 GLU 38 2HG GLU 38 10.456 8.969 -4.679 274 H LYS 39 H LYS 39 10.859 12.141 -3.751 275 HA LYS 39 HA LYS 39 13.522 11.878 -4.963 276 HB2 LYS 39 1HB LYS 39 12.739 13.201 -6.774 277 HB3 LYS 39 2HB LYS 39 11.470 12.032 -6.432 278 HG2 LYS 39 1HG LYS 39 10.457 13.912 -4.977 279 HG3 LYS 39 2HG LYS 39 11.518 14.973 -5.906 280 HD2 LYS 39 1HD LYS 39 10.366 14.646 -7.854 281 HD3 LYS 39 2HD LYS 39 9.844 13.022 -7.399 282 HE2 LYS 39 1HE LYS 39 8.226 13.945 -5.851 283 HE3 LYS 39 2HE LYS 39 8.794 15.579 -6.190 284 HZ1 LYS 39 3HZ LYS 39 7.488 13.748 -8.130 285 HZ2 LYS 39 1HZ LYS 39 8.074 15.294 -8.492 286 HZ3 LYS 39 2HZ LYS 39 6.784 15.110 -7.414 287 HA PRO 40 HA PRO 40 15.064 15.326 -2.712 288 HB2 PRO 40 1HB PRO 40 16.963 16.196 -4.446 289 HB3 PRO 40 2HB PRO 40 17.141 14.722 -3.486 290 HG2 PRO 40 1HG PRO 40 16.310 15.032 -6.345 291 HG3 PRO 40 2HG PRO 40 17.417 13.850 -5.624 292 HD2 PRO 40 1HD PRO 40 14.849 13.253 -6.241 293 HD3 PRO 40 2HD PRO 40 15.699 12.513 -4.869 294 H SER 41 H SER 41 13.823 15.706 -5.944 295 HA SER 41 HA SER 41 12.584 18.179 -5.344 296 HB2 SER 41 1HB SER 41 15.125 18.253 -6.960 297 HB3 SER 41 2HB SER 41 13.872 19.477 -7.161 298 HG SER 41 HG SER 41 14.206 20.177 -5.127 299 H GLY 42 H GLY 42 11.478 19.112 -7.278 300 HA2 GLY 42 1HA GLY 42 11.318 17.527 -9.666 301 HA3 GLY 42 2HA GLY 42 9.935 17.290 -8.609 302 HA PRO 43 HA PRO 43 8.949 20.827 -11.413 303 HB2 PRO 43 1HB PRO 43 6.398 20.030 -11.888 304 HB3 PRO 43 2HB PRO 43 7.778 19.442 -12.824 305 HG2 PRO 43 1HG PRO 43 6.334 18.133 -10.552 306 HG3 PRO 43 2HG PRO 43 6.908 17.421 -12.072 307 HD2 PRO 43 1HD PRO 43 8.253 17.152 -9.737 308 HD3 PRO 43 2HD PRO 43 9.074 17.229 -11.310 309 H SER 44 H SER 44 8.079 22.694 -10.716 310 HA SER 44 HA SER 44 7.428 23.264 -8.156 311 HB2 SER 44 1HB SER 44 6.547 25.320 -8.892 312 HB3 SER 44 2HB SER 44 7.660 24.853 -10.177 313 HG SER 44 HG SER 44 5.482 23.781 -10.938 314 H SER 45 H SER 45 5.884 22.698 -6.784 315 HA SER 45 HA SER 45 3.535 21.300 -7.762 316 HB2 SER 45 1HB SER 45 4.900 20.499 -5.791 317 HB3 SER 45 2HB SER 45 4.276 21.880 -4.889 318 HG SER 45 HG SER 45 2.871 20.284 -4.440 319 H GLY 46 H GLY 46 1.422 21.787 -6.539 320 HA2 GLY 46 1HA GLY 46 0.422 24.233 -7.314 321 HA3 GLY 46 2HA GLY 46 -0.288 23.243 -6.048 Start of MODEL 9 1 H1 GLY 1 H GLY 1 16.561 -4.419 7.068 2 HA2 GLY 1 1HA GLY 1 17.355 -5.264 4.644 3 HA3 GLY 1 2HA GLY 1 18.395 -6.204 5.703 4 H SER 2 H SER 2 15.082 -5.600 4.726 5 HA SER 2 HA SER 2 13.985 -7.680 6.377 6 HB2 SER 2 1HB SER 2 12.597 -5.771 5.769 7 HB3 SER 2 2HB SER 2 12.791 -6.143 4.056 8 HG SER 2 HG SER 2 11.715 -8.042 5.840 9 H SER 3 H SER 3 13.027 -9.633 5.626 10 HA SER 3 HA SER 3 13.734 -10.549 2.954 11 HB2 SER 3 1HB SER 3 15.666 -11.094 4.491 12 HB3 SER 3 2HB SER 3 14.568 -12.151 5.378 13 HG SER 3 HG SER 3 15.595 -13.407 3.876 14 H GLY 4 H GLY 4 12.915 -12.909 2.685 15 HA2 GLY 4 1HA GLY 4 11.275 -14.528 3.583 16 HA3 GLY 4 2HA GLY 4 10.325 -13.139 4.092 17 H SER 5 H SER 5 8.989 -14.917 2.674 18 HA SER 5 HA SER 5 8.601 -13.563 0.107 19 HB2 SER 5 1HB SER 5 9.094 -16.506 0.501 20 HB3 SER 5 2HB SER 5 8.167 -15.917 -0.879 21 HG SER 5 HG SER 5 10.847 -15.880 -0.458 22 H SER 6 H SER 6 6.593 -12.821 0.177 23 HA SER 6 HA SER 6 4.535 -14.408 1.551 24 HB2 SER 6 1HB SER 6 4.793 -11.462 0.982 25 HB3 SER 6 2HB SER 6 3.238 -12.180 1.403 26 HG SER 6 HG SER 6 3.923 -11.874 3.371 27 H GLY 7 H GLY 7 2.394 -14.501 0.596 28 HA2 GLY 7 1HA GLY 7 2.447 -15.288 -2.108 29 HA3 GLY 7 2HA GLY 7 0.998 -15.036 -1.146 30 H SER 8 H SER 8 -0.339 -13.570 -1.937 31 HA SER 8 HA SER 8 0.793 -11.244 -3.342 32 HB2 SER 8 1HB SER 8 -1.621 -12.871 -4.175 33 HB3 SER 8 2HB SER 8 -1.137 -11.344 -4.912 34 HG SER 8 HG SER 8 -0.371 -13.624 -5.714 35 H GLY 9 H GLY 9 -2.056 -12.582 -1.697 36 HA2 GLY 9 1HA GLY 9 -3.071 -11.429 0.145 37 HA3 GLY 9 2HA GLY 9 -2.533 -9.911 -0.558 38 H GLU 10 H GLU 10 -5.226 -10.958 0.297 39 HA GLU 10 HA GLU 10 -6.662 -10.811 -2.256 40 HB2 GLU 10 1HB GLU 10 -7.410 -11.785 0.485 41 HB3 GLU 10 2HB GLU 10 -8.652 -11.382 -0.692 42 HG2 GLU 10 1HG GLU 10 -6.438 -13.317 -1.287 43 HG3 GLU 10 2HG GLU 10 -7.958 -13.808 -0.543 44 H LYS 11 H LYS 11 -6.351 -8.557 -2.559 45 HA LYS 11 HA LYS 11 -8.299 -6.953 -1.100 46 HB2 LYS 11 1HB LYS 11 -5.357 -6.518 -1.070 47 HB3 LYS 11 2HB LYS 11 -6.380 -5.095 -1.217 48 HG2 LYS 11 1HG LYS 11 -6.204 -5.196 1.042 49 HG3 LYS 11 2HG LYS 11 -7.625 -6.220 0.824 50 HD2 LYS 11 1HD LYS 11 -5.801 -8.114 0.615 51 HD3 LYS 11 2HD LYS 11 -4.831 -6.964 1.539 52 HE2 LYS 11 1HE LYS 11 -7.001 -6.854 3.029 53 HE3 LYS 11 2HE LYS 11 -7.296 -8.442 2.322 54 HZ1 LYS 11 3HZ LYS 11 -4.619 -8.002 3.351 55 HZ2 LYS 11 1HZ LYS 11 -5.619 -9.362 3.475 56 HZ3 LYS 11 2HZ LYS 11 -5.844 -8.048 4.517 57 HA PRO 12 HA PRO 12 -9.147 -5.478 -5.162 58 HB2 PRO 12 1HB PRO 12 -10.479 -3.203 -4.516 59 HB3 PRO 12 2HB PRO 12 -11.184 -4.814 -4.332 60 HG2 PRO 12 1HG PRO 12 -9.915 -3.054 -2.269 61 HG3 PRO 12 2HG PRO 12 -11.392 -4.029 -2.153 62 HD2 PRO 12 1HD PRO 12 -9.026 -4.839 -1.116 63 HD3 PRO 12 2HD PRO 12 -10.225 -5.978 -1.762 64 H PHE 13 H PHE 13 -7.964 -3.050 -2.838 65 HA PHE 13 HA PHE 13 -6.864 -1.412 -4.944 66 HB2 PHE 13 1HB PHE 13 -6.751 -1.220 -1.932 67 HB3 PHE 13 2HB PHE 13 -5.971 -0.061 -3.004 68 HD1 PHE 13 HD1 PHE 13 -7.424 1.210 -4.648 69 HD2 PHE 13 HD2 PHE 13 -9.004 -1.007 -1.376 70 HE1 PHE 13 HE1 PHE 13 -9.525 2.482 -4.804 71 HE2 PHE 13 HE2 PHE 13 -11.107 0.260 -1.528 72 HZ PHE 13 HZ PHE 13 -11.370 2.006 -3.244 73 H LYS 14 H LYS 14 -4.847 -1.448 -5.711 74 HA LYS 14 HA LYS 14 -2.774 -2.869 -4.190 75 HB2 LYS 14 1HB LYS 14 -3.399 -4.497 -5.782 76 HB3 LYS 14 2HB LYS 14 -3.563 -3.302 -7.062 77 HG2 LYS 14 1HG LYS 14 -1.590 -4.447 -7.558 78 HG3 LYS 14 2HG LYS 14 -1.056 -2.935 -6.821 79 HD2 LYS 14 1HD LYS 14 0.255 -4.410 -5.667 80 HD3 LYS 14 2HD LYS 14 -1.162 -4.392 -4.615 81 HE2 LYS 14 1HE LYS 14 -0.586 -6.666 -4.914 82 HE3 LYS 14 2HE LYS 14 -2.005 -6.380 -5.919 83 HZ1 LYS 14 3HZ LYS 14 -0.513 -6.127 -7.833 84 HZ2 LYS 14 1HZ LYS 14 -0.390 -7.660 -7.129 85 HZ3 LYS 14 2HZ LYS 14 0.811 -6.503 -6.850 86 H CYS 15 H CYS 15 -0.787 -1.947 -4.226 87 HA CYS 15 HA CYS 15 -0.583 0.713 -5.319 88 HB2 CYS 15 1HB CYS 15 0.324 0.046 -3.071 89 HB3 CYS 15 2HB CYS 15 1.555 -0.892 -3.911 90 H LYS 16 H LYS 16 0.525 1.362 -7.075 91 HA LYS 16 HA LYS 16 1.689 -0.724 -8.766 92 HB2 LYS 16 1HB LYS 16 0.869 2.121 -9.373 93 HB3 LYS 16 2HB LYS 16 1.603 1.033 -10.543 94 HG2 LYS 16 1HG LYS 16 -0.877 0.200 -9.111 95 HG3 LYS 16 2HG LYS 16 -0.978 1.326 -10.466 96 HD2 LYS 16 1HD LYS 16 0.632 -1.151 -10.814 97 HD3 LYS 16 2HD LYS 16 -1.128 -1.294 -10.817 98 HE2 LYS 16 1HE LYS 16 -0.729 -0.939 -13.047 99 HE3 LYS 16 2HE LYS 16 -0.970 0.717 -12.495 100 HZ1 LYS 16 3HZ LYS 16 1.747 -0.384 -12.470 101 HZ2 LYS 16 1HZ LYS 16 1.233 1.210 -12.711 102 HZ3 LYS 16 2HZ LYS 16 1.081 0.075 -13.956 103 H GLU 17 H GLU 17 2.905 0.854 -6.376 104 HA GLU 17 HA GLU 17 5.317 1.809 -7.764 105 HB2 GLU 17 1HB GLU 17 4.192 2.445 -5.039 106 HB3 GLU 17 2HB GLU 17 5.823 2.890 -5.521 107 HG2 GLU 17 1HG GLU 17 3.261 3.799 -6.811 108 HG3 GLU 17 2HG GLU 17 4.334 4.763 -5.797 109 H CYS 18 H CYS 18 4.262 -0.061 -4.931 110 HA CYS 18 HA CYS 18 6.823 -1.514 -5.054 111 HB2 CYS 18 1HB CYS 18 6.660 -1.847 -2.626 112 HB3 CYS 18 2HB CYS 18 6.697 -0.135 -3.034 113 H GLY 19 H GLY 19 3.382 -1.734 -4.220 114 HA2 GLY 19 1HA GLY 19 2.318 -3.716 -5.400 115 HA3 GLY 19 2HA GLY 19 3.561 -4.657 -4.590 116 H LYS 20 H LYS 20 2.493 -2.081 -2.695 117 HA LYS 20 HA LYS 20 1.517 -3.672 -0.633 118 HB2 LYS 20 1HB LYS 20 2.195 -1.112 -0.762 119 HB3 LYS 20 2HB LYS 20 0.459 -0.900 -0.951 120 HG2 LYS 20 1HG LYS 20 0.941 -0.663 1.351 121 HG3 LYS 20 2HG LYS 20 0.164 -2.236 1.151 122 HD2 LYS 20 1HD LYS 20 1.937 -2.747 2.544 123 HD3 LYS 20 2HD LYS 20 2.603 -3.118 0.952 124 HE2 LYS 20 1HE LYS 20 3.934 -1.217 0.927 125 HE3 LYS 20 2HE LYS 20 2.950 -0.392 2.136 126 HZ1 LYS 20 3HZ LYS 20 3.997 -1.436 3.835 127 HZ2 LYS 20 1HZ LYS 20 5.267 -1.480 2.719 128 HZ3 LYS 20 2HZ LYS 20 4.301 -2.848 2.955 129 H ALA 21 H ALA 21 -0.695 -3.684 0.272 130 HA ALA 21 HA ALA 21 -2.782 -3.567 -1.796 131 HB1 ALA 21 3HB ALA 21 -3.672 -5.667 -0.414 132 HB2 ALA 21 1HB ALA 21 -2.603 -5.827 -1.807 133 HB3 ALA 21 2HB ALA 21 -1.940 -5.895 -0.174 134 H PHE 22 H PHE 22 -4.914 -3.227 -1.020 135 HA PHE 22 HA PHE 22 -5.351 -2.743 1.792 136 HB2 PHE 22 1HB PHE 22 -5.884 -0.404 -0.009 137 HB3 PHE 22 2HB PHE 22 -5.702 -0.438 1.741 138 HD1 PHE 22 HD1 PHE 22 -3.790 -0.930 -1.407 139 HD2 PHE 22 HD2 PHE 22 -3.681 0.146 2.709 140 HE1 PHE 22 HE1 PHE 22 -1.432 -0.269 -1.646 141 HE2 PHE 22 HE2 PHE 22 -1.324 0.811 2.477 142 HZ PHE 22 HZ PHE 22 -0.196 0.604 0.298 143 H ARG 23 H ARG 23 -7.630 -2.040 2.207 144 HA ARG 23 HA ARG 23 -9.401 -3.333 0.254 145 HB2 ARG 23 1HB ARG 23 -9.187 -3.981 2.803 146 HB3 ARG 23 2HB ARG 23 -10.286 -2.625 3.018 147 HG2 ARG 23 1HG ARG 23 -11.986 -3.659 1.783 148 HG3 ARG 23 2HG ARG 23 -10.876 -4.843 1.090 149 HD2 ARG 23 1HD ARG 23 -10.533 -5.743 3.401 150 HD3 ARG 23 2HD ARG 23 -11.823 -4.671 3.945 151 HE ARG 23 HE ARG 23 -12.850 -6.135 1.834 152 HH11 ARG 23 1HH1 ARG 23 -11.564 -6.759 5.008 153 HH12 ARG 23 2HH1 ARG 23 -12.525 -8.178 5.261 154 HH21 ARG 23 1HH2 ARG 23 -14.121 -8.002 2.155 155 HH22 ARG 23 2HH2 ARG 23 -13.979 -8.885 3.637 156 H GLN 24 H GLN 24 -9.001 -0.411 2.191 157 HA GLN 24 HA GLN 24 -11.340 0.800 0.931 158 HB2 GLN 24 1HB GLN 24 -10.530 0.961 3.469 159 HB3 GLN 24 2HB GLN 24 -9.628 2.327 2.825 160 HG2 GLN 24 1HG GLN 24 -11.989 2.924 1.791 161 HG3 GLN 24 2HG GLN 24 -12.549 1.966 3.161 162 HE21 GLN 24 1HE2 GLN 24 -10.978 2.564 5.176 163 HE22 GLN 24 2HE2 GLN 24 -10.998 4.254 5.538 164 H ASN 25 H ASN 25 -11.160 3.002 0.052 165 HA ASN 25 HA ASN 25 -9.032 3.150 -1.848 166 HB2 ASN 25 1HB ASN 25 -11.318 3.897 -2.384 167 HB3 ASN 25 2HB ASN 25 -11.177 5.180 -1.186 168 HD21 ASN 25 1HD2 ASN 25 -10.936 7.055 -2.143 169 HD22 ASN 25 2HD2 ASN 25 -9.953 7.377 -3.527 170 H ILE 26 H ILE 26 -9.903 4.959 1.064 171 HA ILE 26 HA ILE 26 -7.941 6.954 0.879 172 HB ILE 26 HB ILE 26 -9.861 7.017 2.453 173 HG12 ILE 26 1HG1 ILE 26 -7.306 7.249 4.026 174 HG13 ILE 26 2HG1 ILE 26 -7.653 8.342 2.690 175 HG21 ILE 26 1HG2 ILE 26 -9.401 4.565 3.154 176 HG22 ILE 26 2HG2 ILE 26 -8.296 5.287 4.323 177 HG23 ILE 26 3HG2 ILE 26 -10.009 5.704 4.355 178 HD11 ILE 26 3HD1 ILE 26 -9.536 9.236 3.788 179 HD12 ILE 26 1HD1 ILE 26 -9.530 7.954 4.999 180 HD13 ILE 26 2HD1 ILE 26 -8.247 9.165 4.990 181 H HIS 27 H HIS 27 -7.821 3.672 2.113 182 HA HIS 27 HA HIS 27 -5.377 3.825 3.487 183 HB2 HIS 27 1HB HIS 27 -7.005 1.624 2.305 184 HB3 HIS 27 2HB HIS 27 -5.341 1.269 2.758 185 HD1 HIS 27 HD1 HIS 27 -6.153 -0.300 4.655 186 HD2 HIS 27 HD2 HIS 27 -7.373 3.650 5.064 187 HE1 HIS 27 HE1 HIS 27 -7.002 -0.100 7.014 188 H LEU 28 H LEU 28 -6.069 2.773 0.155 189 HA LEU 28 HA LEU 28 -3.388 2.326 -0.576 190 HB2 LEU 28 1HB LEU 28 -5.097 1.358 -1.898 191 HB3 LEU 28 2HB LEU 28 -5.862 2.920 -2.177 192 HG LEU 28 HG LEU 28 -3.827 3.560 -3.512 193 HD11 LEU 28 1HD1 LEU 28 -3.245 0.608 -3.310 194 HD12 LEU 28 2HD1 LEU 28 -2.295 1.898 -2.573 195 HD13 LEU 28 3HD1 LEU 28 -2.397 1.772 -4.329 196 HD21 LEU 28 3HD2 LEU 28 -4.528 2.304 -5.491 197 HD22 LEU 28 1HD2 LEU 28 -5.916 2.885 -4.571 198 HD23 LEU 28 2HD2 LEU 28 -5.435 1.191 -4.466 199 H ALA 29 H ALA 29 -5.520 5.072 -1.384 200 HA ALA 29 HA ALA 29 -3.624 6.669 -2.631 201 HB1 ALA 29 3HB ALA 29 -5.109 8.572 -2.046 202 HB2 ALA 29 1HB ALA 29 -5.961 7.203 -2.762 203 HB3 ALA 29 2HB ALA 29 -6.041 7.480 -1.021 204 H SER 30 H SER 30 -4.216 6.128 0.769 205 HA SER 30 HA SER 30 -2.650 8.341 1.688 206 HB2 SER 30 1HB SER 30 -4.429 7.374 3.080 207 HB3 SER 30 2HB SER 30 -3.550 5.847 3.153 208 HG SER 30 HG SER 30 -2.054 6.748 4.439 209 H HIS 31 H HIS 31 -2.003 5.066 0.755 210 HA HIS 31 HA HIS 31 0.548 4.873 2.046 211 HB2 HIS 31 1HB HIS 31 -0.537 2.812 1.619 212 HB3 HIS 31 2HB HIS 31 -0.843 3.231 -0.064 213 HD1 HIS 31 HD1 HIS 31 2.094 2.437 2.207 214 HD2 HIS 31 HD2 HIS 31 1.019 2.285 -1.803 215 HE1 HIS 31 HE1 HIS 31 3.995 1.271 1.045 216 H LEU 32 H LEU 32 -0.525 5.448 -1.293 217 HA LEU 32 HA LEU 32 1.909 5.587 -2.568 218 HB2 LEU 32 1HB LEU 32 -0.513 7.317 -3.043 219 HB3 LEU 32 2HB LEU 32 0.827 7.114 -4.169 220 HG LEU 32 HG LEU 32 -0.908 4.825 -3.267 221 HD11 LEU 32 1HD1 LEU 32 -2.535 5.959 -4.360 222 HD12 LEU 32 2HD1 LEU 32 -1.740 5.249 -5.765 223 HD13 LEU 32 3HD1 LEU 32 -1.392 6.915 -5.304 224 HD21 LEU 32 3HD2 LEU 32 0.310 4.728 -5.899 225 HD22 LEU 32 1HD2 LEU 32 0.362 3.554 -4.583 226 HD23 LEU 32 2HD2 LEU 32 1.506 4.896 -4.612 227 H ARG 33 H ARG 33 0.690 7.663 -0.156 228 HA ARG 33 HA ARG 33 1.884 10.102 -0.775 229 HB2 ARG 33 1HB ARG 33 1.610 8.945 2.001 230 HB3 ARG 33 2HB ARG 33 1.681 10.645 1.560 231 HG2 ARG 33 1HG ARG 33 -0.499 9.008 0.393 232 HG3 ARG 33 2HG ARG 33 -0.598 9.425 2.105 233 HD2 ARG 33 1HD ARG 33 -1.691 11.206 1.140 234 HD3 ARG 33 2HD ARG 33 -0.046 11.830 1.256 235 HE ARG 33 HE ARG 33 -0.107 10.719 -1.207 236 HH11 ARG 33 1HH1 ARG 33 -2.163 12.999 0.436 237 HH12 ARG 33 2HH1 ARG 33 -2.630 13.822 -1.015 238 HH21 ARG 33 1HH2 ARG 33 -0.714 11.795 -3.124 239 HH22 ARG 33 2HH2 ARG 33 -1.806 13.136 -3.040 240 H ILE 34 H ILE 34 3.180 7.466 1.247 241 HA ILE 34 HA ILE 34 5.665 8.583 1.788 242 HB ILE 34 HB ILE 34 6.407 6.444 2.434 243 HG12 ILE 34 1HG1 ILE 34 4.892 4.417 1.676 244 HG13 ILE 34 2HG1 ILE 34 4.510 5.485 0.330 245 HG21 ILE 34 1HG2 ILE 34 3.832 5.520 3.084 246 HG22 ILE 34 2HG2 ILE 34 4.925 6.474 4.085 247 HG23 ILE 34 3HG2 ILE 34 3.742 7.281 3.056 248 HD11 ILE 34 3HD1 ILE 34 7.359 5.325 0.855 249 HD12 ILE 34 1HD1 ILE 34 6.638 3.759 0.484 250 HD13 ILE 34 2HD1 ILE 34 6.466 5.101 -0.648 251 H HIS 35 H HIS 35 4.533 6.856 -1.048 252 HA HIS 35 HA HIS 35 7.068 6.451 -2.247 253 HB2 HIS 35 1HB HIS 35 4.238 6.409 -3.230 254 HB3 HIS 35 2HB HIS 35 5.562 6.357 -4.391 255 HD1 HIS 35 HD1 HIS 35 7.303 4.303 -3.990 256 HD2 HIS 35 HD2 HIS 35 3.579 3.995 -2.174 257 HE1 HIS 35 HE1 HIS 35 7.035 1.870 -3.415 258 H THR 36 H THR 36 4.871 9.145 -2.132 259 HA THR 36 HA THR 36 6.597 10.628 -4.003 260 HB THR 36 HB THR 36 4.301 10.512 -4.795 261 HG1 THR 36 HG1 THR 36 5.603 12.552 -4.874 262 HG21 THR 36 3HG2 THR 36 3.692 11.407 -2.014 263 HG22 THR 36 1HG2 THR 36 2.891 10.186 -3.002 264 HG23 THR 36 2HG2 THR 36 2.621 11.899 -3.325 265 H GLY 37 H GLY 37 7.784 10.533 -1.692 266 HA2 GLY 37 1HA GLY 37 6.939 12.352 0.301 267 HA3 GLY 37 2HA GLY 37 8.574 11.741 0.094 268 H GLU 38 H GLU 38 9.906 13.429 0.100 269 HA GLU 38 HA GLU 38 9.090 15.903 -1.236 270 HB2 GLU 38 1HB GLU 38 10.000 15.870 1.144 271 HB3 GLU 38 2HB GLU 38 11.563 15.485 0.436 272 HG2 GLU 38 1HG GLU 38 11.784 17.729 0.553 273 HG3 GLU 38 2HG GLU 38 11.003 17.625 -1.024 274 H LYS 39 H LYS 39 10.326 13.221 -2.315 275 HA LYS 39 HA LYS 39 12.511 14.450 -3.855 276 HB2 LYS 39 1HB LYS 39 13.002 12.002 -4.453 277 HB3 LYS 39 2HB LYS 39 13.363 12.529 -2.814 278 HG2 LYS 39 1HG LYS 39 11.255 11.544 -2.043 279 HG3 LYS 39 2HG LYS 39 10.924 10.991 -3.687 280 HD2 LYS 39 1HD LYS 39 11.867 9.099 -2.801 281 HD3 LYS 39 2HD LYS 39 13.307 9.895 -3.440 282 HE2 LYS 39 1HE LYS 39 13.866 9.188 -1.257 283 HE3 LYS 39 2HE LYS 39 13.594 10.927 -1.150 284 HZ1 LYS 39 3HZ LYS 39 12.202 8.791 0.143 285 HZ2 LYS 39 1HZ LYS 39 11.143 9.835 -0.664 286 HZ3 LYS 39 2HZ LYS 39 12.208 10.445 0.500 287 HA PRO 40 HA PRO 40 8.948 14.106 -6.811 288 HB2 PRO 40 1HB PRO 40 9.337 16.551 -7.926 289 HB3 PRO 40 2HB PRO 40 8.362 16.302 -6.472 290 HG2 PRO 40 1HG PRO 40 11.197 17.232 -6.716 291 HG3 PRO 40 2HG PRO 40 9.905 17.844 -5.666 292 HD2 PRO 40 1HD PRO 40 11.840 16.174 -4.772 293 HD3 PRO 40 2HD PRO 40 10.188 16.156 -4.122 294 H SER 41 H SER 41 12.336 14.652 -7.001 295 HA SER 41 HA SER 41 13.034 15.029 -9.552 296 HB2 SER 41 1HB SER 41 14.881 13.357 -9.230 297 HB3 SER 41 2HB SER 41 14.716 14.510 -7.906 298 HG SER 41 HG SER 41 14.959 12.270 -7.258 299 H GLY 42 H GLY 42 12.764 14.129 -11.507 300 HA2 GLY 42 1HA GLY 42 12.108 11.330 -11.806 301 HA3 GLY 42 2HA GLY 42 10.783 12.420 -12.189 302 HA PRO 43 HA PRO 43 14.398 13.077 -15.389 303 HB2 PRO 43 1HB PRO 43 15.990 10.901 -15.705 304 HB3 PRO 43 2HB PRO 43 16.361 12.206 -14.572 305 HG2 PRO 43 1HG PRO 43 15.110 9.538 -14.044 306 HG3 PRO 43 2HG PRO 43 16.354 10.394 -13.114 307 HD2 PRO 43 1HD PRO 43 13.748 10.369 -12.381 308 HD3 PRO 43 2HD PRO 43 14.815 11.753 -12.066 309 H SER 44 H SER 44 12.215 10.596 -14.860 310 HA SER 44 HA SER 44 11.695 10.334 -17.694 311 HB2 SER 44 1HB SER 44 11.803 7.900 -17.738 312 HB3 SER 44 2HB SER 44 13.369 8.552 -17.255 313 HG SER 44 HG SER 44 12.708 6.808 -15.923 314 H SER 45 H SER 45 9.627 10.953 -17.643 315 HA SER 45 HA SER 45 7.875 10.126 -15.483 316 HB2 SER 45 1HB SER 45 7.724 12.427 -16.299 317 HB3 SER 45 2HB SER 45 7.343 11.845 -17.920 318 HG SER 45 HG SER 45 5.357 11.969 -17.242 319 H GLY 46 H GLY 46 7.793 9.924 -19.049 320 HA2 GLY 46 1HA GLY 46 7.277 7.275 -19.374 321 HA3 GLY 46 2HA GLY 46 5.700 7.944 -18.983 Start of MODEL 10 1 H1 GLY 1 H GLY 1 8.984 -12.580 -12.150 2 HA2 GLY 1 1HA GLY 1 9.150 -13.661 -14.882 3 HA3 GLY 1 2HA GLY 1 10.150 -14.360 -13.616 4 H SER 2 H SER 2 6.788 -13.240 -13.465 5 HA SER 2 HA SER 2 6.039 -15.908 -12.495 6 HB2 SER 2 1HB SER 2 4.663 -13.228 -12.213 7 HB3 SER 2 2HB SER 2 3.983 -14.753 -11.644 8 HG SER 2 HG SER 2 6.023 -14.943 -10.418 9 H SER 3 H SER 3 4.597 -17.158 -13.543 10 HA SER 3 HA SER 3 2.794 -16.115 -15.519 11 HB2 SER 3 1HB SER 3 5.229 -17.684 -16.355 12 HB3 SER 3 2HB SER 3 3.763 -17.653 -17.335 13 HG SER 3 HG SER 3 4.809 -15.956 -18.114 14 H GLY 4 H GLY 4 1.036 -17.380 -15.657 15 HA2 GLY 4 1HA GLY 4 -0.120 -19.443 -15.762 16 HA3 GLY 4 2HA GLY 4 1.256 -20.224 -14.998 17 H SER 5 H SER 5 1.555 -19.969 -12.718 18 HA SER 5 HA SER 5 -0.995 -19.680 -11.326 19 HB2 SER 5 1HB SER 5 0.148 -20.781 -9.442 20 HB3 SER 5 2HB SER 5 0.305 -21.725 -10.923 21 HG SER 5 HG SER 5 2.295 -19.861 -10.264 22 H SER 6 H SER 6 -1.434 -18.123 -9.867 23 HA SER 6 HA SER 6 0.712 -16.200 -9.247 24 HB2 SER 6 1HB SER 6 -2.224 -15.576 -9.651 25 HB3 SER 6 2HB SER 6 -0.952 -14.410 -9.289 26 HG SER 6 HG SER 6 -1.691 -14.891 -11.615 27 H GLY 7 H GLY 7 1.005 -15.663 -7.157 28 HA2 GLY 7 1HA GLY 7 -0.588 -17.093 -5.179 29 HA3 GLY 7 2HA GLY 7 0.921 -16.243 -4.885 30 H SER 8 H SER 8 0.873 -14.193 -4.128 31 HA SER 8 HA SER 8 -1.351 -13.205 -2.829 32 HB2 SER 8 1HB SER 8 1.190 -11.930 -3.785 33 HB3 SER 8 2HB SER 8 -0.072 -10.929 -3.069 34 HG SER 8 HG SER 8 1.307 -11.605 -1.445 35 H GLY 9 H GLY 9 -2.428 -11.050 -3.265 36 HA2 GLY 9 1HA GLY 9 -3.059 -9.458 -5.047 37 HA3 GLY 9 2HA GLY 9 -3.088 -10.834 -6.139 38 H GLU 10 H GLU 10 -4.438 -10.340 -2.881 39 HA GLU 10 HA GLU 10 -6.996 -11.364 -3.868 40 HB2 GLU 10 1HB GLU 10 -5.724 -12.178 -1.723 41 HB3 GLU 10 2HB GLU 10 -6.451 -10.757 -0.987 42 HG2 GLU 10 1HG GLU 10 -8.669 -11.569 -1.581 43 HG3 GLU 10 2HG GLU 10 -7.951 -12.985 -2.346 44 H LYS 11 H LYS 11 -5.820 -8.736 -1.763 45 HA LYS 11 HA LYS 11 -8.184 -7.311 -1.543 46 HB2 LYS 11 1HB LYS 11 -5.317 -6.374 -1.566 47 HB3 LYS 11 2HB LYS 11 -6.665 -5.298 -1.220 48 HG2 LYS 11 1HG LYS 11 -6.088 -7.808 0.335 49 HG3 LYS 11 2HG LYS 11 -5.500 -6.206 0.789 50 HD2 LYS 11 1HD LYS 11 -7.742 -5.393 1.053 51 HD3 LYS 11 2HD LYS 11 -8.412 -6.889 0.396 52 HE2 LYS 11 1HE LYS 11 -6.649 -7.012 2.799 53 HE3 LYS 11 2HE LYS 11 -8.318 -6.478 2.987 54 HZ1 LYS 11 3HZ LYS 11 -7.440 -9.067 2.915 55 HZ2 LYS 11 1HZ LYS 11 -8.130 -8.832 1.389 56 HZ3 LYS 11 2HZ LYS 11 -9.045 -8.551 2.782 57 HA PRO 12 HA PRO 12 -8.989 -5.606 -5.513 58 HB2 PRO 12 1HB PRO 12 -10.333 -3.359 -4.796 59 HB3 PRO 12 2HB PRO 12 -11.034 -4.977 -4.675 60 HG2 PRO 12 1HG PRO 12 -9.787 -3.289 -2.541 61 HG3 PRO 12 2HG PRO 12 -11.261 -4.271 -2.471 62 HD2 PRO 12 1HD PRO 12 -8.900 -5.112 -1.446 63 HD3 PRO 12 2HD PRO 12 -10.091 -6.230 -2.142 64 H PHE 13 H PHE 13 -7.925 -3.181 -3.120 65 HA PHE 13 HA PHE 13 -6.691 -1.587 -5.204 66 HB2 PHE 13 1HB PHE 13 -6.757 -1.192 -2.205 67 HB3 PHE 13 2HB PHE 13 -6.144 -0.027 -3.374 68 HD1 PHE 13 HD1 PHE 13 -7.729 0.988 -5.026 69 HD2 PHE 13 HD2 PHE 13 -9.048 -1.333 -1.710 70 HE1 PHE 13 HE1 PHE 13 -9.983 1.946 -5.257 71 HE2 PHE 13 HE2 PHE 13 -11.304 -0.380 -1.937 72 HZ PHE 13 HZ PHE 13 -11.775 1.261 -3.712 73 H LYS 14 H LYS 14 -4.640 -1.736 -5.815 74 HA LYS 14 HA LYS 14 -2.664 -2.845 -3.951 75 HB2 LYS 14 1HB LYS 14 -3.216 -4.720 -5.325 76 HB3 LYS 14 2HB LYS 14 -3.157 -3.746 -6.788 77 HG2 LYS 14 1HG LYS 14 -1.157 -4.837 -6.925 78 HG3 LYS 14 2HG LYS 14 -0.665 -3.374 -6.068 79 HD2 LYS 14 1HD LYS 14 0.311 -4.938 -4.723 80 HD3 LYS 14 2HD LYS 14 -1.276 -4.856 -3.956 81 HE2 LYS 14 1HE LYS 14 -1.983 -6.778 -5.377 82 HE3 LYS 14 2HE LYS 14 -0.322 -6.900 -5.956 83 HZ1 LYS 14 3HZ LYS 14 0.101 -8.166 -4.207 84 HZ2 LYS 14 1HZ LYS 14 -1.445 -7.911 -3.569 85 HZ3 LYS 14 2HZ LYS 14 -0.189 -6.844 -3.193 86 H CYS 15 H CYS 15 -0.858 -1.673 -3.850 87 HA CYS 15 HA CYS 15 -0.581 0.733 -5.303 88 HB2 CYS 15 1HB CYS 15 0.363 0.126 -2.985 89 HB3 CYS 15 2HB CYS 15 1.681 -0.639 -3.866 90 H LYS 16 H LYS 16 0.248 1.110 -7.246 91 HA LYS 16 HA LYS 16 1.554 -1.064 -8.677 92 HB2 LYS 16 1HB LYS 16 -0.324 0.569 -9.548 93 HB3 LYS 16 2HB LYS 16 1.044 1.619 -9.894 94 HG2 LYS 16 1HG LYS 16 1.919 0.174 -11.479 95 HG3 LYS 16 2HG LYS 16 1.032 -1.215 -10.846 96 HD2 LYS 16 1HD LYS 16 -0.526 1.087 -11.908 97 HD3 LYS 16 2HD LYS 16 0.280 0.021 -13.061 98 HE2 LYS 16 1HE LYS 16 -1.622 -0.878 -10.900 99 HE3 LYS 16 2HE LYS 16 -2.051 -0.649 -12.595 100 HZ1 LYS 16 3HZ LYS 16 -1.226 -2.970 -11.543 101 HZ2 LYS 16 1HZ LYS 16 0.234 -2.361 -12.141 102 HZ3 LYS 16 2HZ LYS 16 -1.085 -2.568 -13.180 103 H GLU 17 H GLU 17 2.858 0.559 -6.501 104 HA GLU 17 HA GLU 17 5.175 1.488 -8.068 105 HB2 GLU 17 1HB GLU 17 3.937 2.592 -5.565 106 HB3 GLU 17 2HB GLU 17 5.633 2.883 -5.928 107 HG2 GLU 17 1HG GLU 17 4.843 3.774 -8.170 108 HG3 GLU 17 2HG GLU 17 3.222 3.762 -7.479 109 H CYS 18 H CYS 18 4.100 -0.068 -5.081 110 HA CYS 18 HA CYS 18 6.782 -1.263 -4.824 111 HB2 CYS 18 1HB CYS 18 6.414 -1.410 -2.427 112 HB3 CYS 18 2HB CYS 18 6.192 0.254 -2.958 113 H GLY 19 H GLY 19 3.313 -1.832 -4.298 114 HA2 GLY 19 1HA GLY 19 2.468 -3.920 -5.366 115 HA3 GLY 19 2HA GLY 19 3.849 -4.719 -4.631 116 H LYS 20 H LYS 20 2.208 -2.261 -2.841 117 HA LYS 20 HA LYS 20 1.459 -4.198 -0.830 118 HB2 LYS 20 1HB LYS 20 2.400 -1.759 -0.531 119 HB3 LYS 20 2HB LYS 20 0.708 -1.305 -0.678 120 HG2 LYS 20 1HG LYS 20 0.113 -2.531 1.252 121 HG3 LYS 20 2HG LYS 20 1.678 -3.346 1.302 122 HD2 LYS 20 1HD LYS 20 2.792 -1.310 1.893 123 HD3 LYS 20 2HD LYS 20 1.321 -0.370 1.627 124 HE2 LYS 20 1HE LYS 20 1.409 -2.585 3.647 125 HE3 LYS 20 2HE LYS 20 1.986 -0.967 4.044 126 HZ1 LYS 20 3HZ LYS 20 -0.749 -1.715 3.166 127 HZ2 LYS 20 1HZ LYS 20 -0.218 -0.120 3.359 128 HZ3 LYS 20 2HZ LYS 20 -0.289 -1.155 4.695 129 H ALA 21 H ALA 21 -0.726 -4.102 0.176 130 HA ALA 21 HA ALA 21 -2.804 -3.701 -1.878 131 HB1 ALA 21 3HB ALA 21 -2.295 -5.959 -0.026 132 HB2 ALA 21 1HB ALA 21 -3.976 -5.529 -0.344 133 HB3 ALA 21 2HB ALA 21 -2.908 -5.963 -1.680 134 H PHE 22 H PHE 22 -5.026 -3.425 -0.918 135 HA PHE 22 HA PHE 22 -5.140 -2.305 1.745 136 HB2 PHE 22 1HB PHE 22 -6.064 -0.494 -0.460 137 HB3 PHE 22 2HB PHE 22 -5.642 -0.095 1.203 138 HD1 PHE 22 HD1 PHE 22 -4.211 -1.132 -2.052 139 HD2 PHE 22 HD2 PHE 22 -3.490 0.632 1.754 140 HE1 PHE 22 HE1 PHE 22 -1.959 -0.469 -2.790 141 HE2 PHE 22 HE2 PHE 22 -1.238 1.298 1.022 142 HZ PHE 22 HZ PHE 22 -0.470 0.749 -1.252 143 H ARG 23 H ARG 23 -7.428 -1.464 2.187 144 HA ARG 23 HA ARG 23 -9.315 -3.353 0.965 145 HB2 ARG 23 1HB ARG 23 -9.418 -1.879 3.602 146 HB3 ARG 23 2HB ARG 23 -10.704 -2.913 2.992 147 HG2 ARG 23 1HG ARG 23 -9.449 -4.848 3.262 148 HG3 ARG 23 2HG ARG 23 -7.923 -3.964 3.318 149 HD2 ARG 23 1HD ARG 23 -8.664 -2.962 5.476 150 HD3 ARG 23 2HD ARG 23 -10.076 -4.017 5.427 151 HE ARG 23 HE ARG 23 -7.427 -4.737 6.195 152 HH11 ARG 23 1HH1 ARG 23 -10.333 -5.936 4.699 153 HH12 ARG 23 2HH1 ARG 23 -10.030 -7.587 5.131 154 HH21 ARG 23 1HH2 ARG 23 -7.017 -6.907 6.769 155 HH22 ARG 23 2HH2 ARG 23 -8.144 -8.137 6.309 156 H GLN 24 H GLN 24 -8.879 0.042 1.812 157 HA GLN 24 HA GLN 24 -11.091 0.701 -0.012 158 HB2 GLN 24 1HB GLN 24 -10.463 2.117 2.584 159 HB3 GLN 24 2HB GLN 24 -11.730 2.559 1.447 160 HG2 GLN 24 1HG GLN 24 -11.722 -0.189 2.583 161 HG3 GLN 24 2HG GLN 24 -12.253 1.152 3.595 162 HE21 GLN 24 1HE2 GLN 24 -12.744 -0.219 0.365 163 HE22 GLN 24 2HE2 GLN 24 -14.436 0.118 0.290 164 H ASN 25 H ASN 25 -10.965 2.918 -0.885 165 HA ASN 25 HA ASN 25 -8.517 3.434 -2.093 166 HB2 ASN 25 1HB ASN 25 -10.972 5.121 -1.675 167 HB3 ASN 25 2HB ASN 25 -9.558 5.766 -2.503 168 HD21 ASN 25 1HD2 ASN 25 -12.364 3.898 -2.774 169 HD22 ASN 25 2HD2 ASN 25 -12.136 3.352 -4.397 170 H ILE 26 H ILE 26 -9.968 4.915 0.779 171 HA ILE 26 HA ILE 26 -8.235 6.959 1.304 172 HB ILE 26 HB ILE 26 -10.166 6.488 2.719 173 HG12 ILE 26 1HG1 ILE 26 -8.866 6.623 5.001 174 HG13 ILE 26 2HG1 ILE 26 -7.451 6.736 3.960 175 HG21 ILE 26 1HG2 ILE 26 -8.577 4.247 3.946 176 HG22 ILE 26 2HG2 ILE 26 -10.248 4.698 4.279 177 HG23 ILE 26 3HG2 ILE 26 -9.817 4.001 2.718 178 HD11 ILE 26 3HD1 ILE 26 -9.245 8.560 2.893 179 HD12 ILE 26 1HD1 ILE 26 -9.405 8.740 4.640 180 HD13 ILE 26 2HD1 ILE 26 -7.825 8.915 3.875 181 H HIS 27 H HIS 27 -7.780 3.543 2.173 182 HA HIS 27 HA HIS 27 -5.337 3.814 3.502 183 HB2 HIS 27 1HB HIS 27 -6.542 1.516 1.964 184 HB3 HIS 27 2HB HIS 27 -5.006 1.379 2.816 185 HD1 HIS 27 HD1 HIS 27 -5.149 0.704 5.199 186 HD2 HIS 27 HD2 HIS 27 -8.747 2.237 3.795 187 HE1 HIS 27 HE1 HIS 27 -6.793 0.387 7.076 188 H LEU 28 H LEU 28 -5.841 2.692 0.150 189 HA LEU 28 HA LEU 28 -3.213 2.633 -0.664 190 HB2 LEU 28 1HB LEU 28 -4.875 1.749 -2.093 191 HB3 LEU 28 2HB LEU 28 -5.727 3.290 -2.174 192 HG LEU 28 HG LEU 28 -3.800 4.212 -3.459 193 HD11 LEU 28 1HD1 LEU 28 -2.155 2.727 -4.388 194 HD12 LEU 28 2HD1 LEU 28 -2.906 1.338 -3.604 195 HD13 LEU 28 3HD1 LEU 28 -2.127 2.584 -2.630 196 HD21 LEU 28 3HD2 LEU 28 -5.763 3.484 -4.640 197 HD22 LEU 28 1HD2 LEU 28 -5.224 1.805 -4.586 198 HD23 LEU 28 2HD2 LEU 28 -4.336 2.986 -5.550 199 H ALA 29 H ALA 29 -5.470 5.371 -1.016 200 HA ALA 29 HA ALA 29 -3.640 7.183 -2.105 201 HB1 ALA 29 3HB ALA 29 -5.239 8.923 -1.116 202 HB2 ALA 29 1HB ALA 29 -5.891 7.775 -2.284 203 HB3 ALA 29 2HB ALA 29 -6.186 7.543 -0.560 204 H SER 30 H SER 30 -4.169 6.156 1.178 205 HA SER 30 HA SER 30 -2.670 8.327 2.344 206 HB2 SER 30 1HB SER 30 -4.574 7.051 3.476 207 HB3 SER 30 2HB SER 30 -3.416 5.741 3.709 208 HG SER 30 HG SER 30 -3.720 7.520 5.399 209 H HIS 31 H HIS 31 -1.948 5.343 0.886 210 HA HIS 31 HA HIS 31 0.619 5.084 2.261 211 HB2 HIS 31 1HB HIS 31 -0.462 2.992 2.037 212 HB3 HIS 31 2HB HIS 31 -0.897 3.306 0.359 213 HD1 HIS 31 HD1 HIS 31 2.076 2.410 2.499 214 HD2 HIS 31 HD2 HIS 31 0.975 2.531 -1.506 215 HE1 HIS 31 HE1 HIS 31 3.932 1.256 1.256 216 H LEU 32 H LEU 32 -0.717 5.628 -0.968 217 HA LEU 32 HA LEU 32 1.562 5.602 -2.501 218 HB2 LEU 32 1HB LEU 32 -0.831 7.420 -2.677 219 HB3 LEU 32 2HB LEU 32 0.413 7.320 -3.922 220 HG LEU 32 HG LEU 32 -1.325 5.011 -3.055 221 HD11 LEU 32 1HD1 LEU 32 -2.742 6.634 -4.081 222 HD12 LEU 32 2HD1 LEU 32 -2.426 5.366 -5.265 223 HD13 LEU 32 3HD1 LEU 32 -1.579 6.909 -5.379 224 HD21 LEU 32 3HD2 LEU 32 -0.474 4.273 -5.424 225 HD22 LEU 32 1HD2 LEU 32 0.516 4.011 -3.988 226 HD23 LEU 32 2HD2 LEU 32 0.855 5.373 -5.055 227 H ARG 33 H ARG 33 0.481 8.048 -0.249 228 HA ARG 33 HA ARG 33 2.052 10.204 -1.021 229 HB2 ARG 33 1HB ARG 33 1.817 11.017 1.251 230 HB3 ARG 33 2HB ARG 33 0.303 10.296 0.724 231 HG2 ARG 33 1HG ARG 33 0.913 8.232 1.947 232 HG3 ARG 33 2HG ARG 33 2.349 9.060 2.552 233 HD2 ARG 33 1HD ARG 33 -0.438 10.123 2.947 234 HD3 ARG 33 2HD ARG 33 0.333 9.022 4.088 235 HE ARG 33 HE ARG 33 2.150 11.000 3.845 236 HH11 ARG 33 1HH1 ARG 33 -1.267 10.986 4.512 237 HH12 ARG 33 2HH1 ARG 33 -1.217 12.423 5.478 238 HH21 ARG 33 1HH2 ARG 33 2.229 12.893 5.114 239 HH22 ARG 33 2HH2 ARG 33 0.772 13.508 5.819 240 H ILE 34 H ILE 34 2.918 7.286 0.690 241 HA ILE 34 HA ILE 34 5.452 8.188 1.627 242 HB ILE 34 HB ILE 34 5.868 5.990 2.316 243 HG12 ILE 34 1HG1 ILE 34 4.147 4.179 1.323 244 HG13 ILE 34 2HG1 ILE 34 4.222 5.276 -0.052 245 HG21 ILE 34 1HG2 ILE 34 3.785 5.246 3.364 246 HG22 ILE 34 2HG2 ILE 34 3.983 6.993 3.485 247 HG23 ILE 34 3HG2 ILE 34 2.870 6.313 2.299 248 HD11 ILE 34 3HD1 ILE 34 6.175 4.450 -0.668 249 HD12 ILE 34 1HD1 ILE 34 6.861 4.735 0.931 250 HD13 ILE 34 2HD1 ILE 34 6.002 3.231 0.595 251 H HIS 35 H HIS 35 4.309 7.363 -1.440 252 HA HIS 35 HA HIS 35 6.992 6.668 -2.412 253 HB2 HIS 35 1HB HIS 35 4.254 6.341 -3.641 254 HB3 HIS 35 2HB HIS 35 5.746 6.073 -4.539 255 HD1 HIS 35 HD1 HIS 35 7.420 4.288 -3.081 256 HD2 HIS 35 HD2 HIS 35 3.294 4.023 -2.667 257 HE1 HIS 35 HE1 HIS 35 6.979 1.972 -2.207 258 H THR 36 H THR 36 4.578 9.132 -2.455 259 HA THR 36 HA THR 36 5.848 10.541 -4.676 260 HB THR 36 HB THR 36 3.960 12.266 -4.000 261 HG1 THR 36 HG1 THR 36 2.210 11.260 -3.025 262 HG21 THR 36 3HG2 THR 36 2.543 11.297 -5.635 263 HG22 THR 36 1HG2 THR 36 3.154 9.675 -5.309 264 HG23 THR 36 2HG2 THR 36 4.188 10.865 -6.101 265 H GLY 37 H GLY 37 7.552 10.306 -2.542 266 HA2 GLY 37 1HA GLY 37 7.387 12.694 -0.906 267 HA3 GLY 37 2HA GLY 37 8.654 11.477 -0.855 268 H GLU 38 H GLU 38 10.379 11.593 -2.357 269 HA GLU 38 HA GLU 38 11.612 13.949 -2.731 270 HB2 GLU 38 1HB GLU 38 12.368 11.553 -3.372 271 HB3 GLU 38 2HB GLU 38 11.717 11.937 -4.959 272 HG2 GLU 38 1HG GLU 38 13.942 12.480 -5.185 273 HG3 GLU 38 2HG GLU 38 13.207 14.037 -4.809 274 H LYS 39 H LYS 39 11.236 15.781 -3.778 275 HA LYS 39 HA LYS 39 8.959 16.213 -5.356 276 HB2 LYS 39 1HB LYS 39 11.493 17.848 -5.138 277 HB3 LYS 39 2HB LYS 39 10.006 18.405 -5.894 278 HG2 LYS 39 1HG LYS 39 10.059 17.474 -3.046 279 HG3 LYS 39 2HG LYS 39 10.480 19.130 -3.491 280 HD2 LYS 39 1HD LYS 39 8.311 19.482 -4.459 281 HD3 LYS 39 2HD LYS 39 7.889 17.782 -4.245 282 HE2 LYS 39 1HE LYS 39 8.435 18.341 -1.718 283 HE3 LYS 39 2HE LYS 39 8.041 19.977 -2.243 284 HZ1 LYS 39 3HZ LYS 39 5.998 19.212 -1.614 285 HZ2 LYS 39 1HZ LYS 39 6.312 17.614 -2.072 286 HZ3 LYS 39 2HZ LYS 39 5.971 18.779 -3.249 287 HA PRO 40 HA PRO 40 10.168 14.806 -9.348 288 HB2 PRO 40 1HB PRO 40 8.495 16.314 -10.863 289 HB3 PRO 40 2HB PRO 40 7.942 14.936 -9.903 290 HG2 PRO 40 1HG PRO 40 7.820 17.859 -9.267 291 HG3 PRO 40 2HG PRO 40 6.584 16.610 -9.030 292 HD2 PRO 40 1HD PRO 40 8.154 17.507 -7.014 293 HD3 PRO 40 2HD PRO 40 7.558 15.836 -7.089 294 H SER 41 H SER 41 11.572 15.348 -10.955 295 HA SER 41 HA SER 41 13.161 17.653 -10.677 296 HB2 SER 41 1HB SER 41 14.101 15.669 -11.671 297 HB3 SER 41 2HB SER 41 12.902 15.689 -12.964 298 HG SER 41 HG SER 41 15.265 16.851 -12.944 299 H GLY 42 H GLY 42 13.350 19.511 -11.945 300 HA2 GLY 42 1HA GLY 42 12.710 21.104 -13.520 301 HA3 GLY 42 2HA GLY 42 11.437 20.020 -14.060 302 HA PRO 43 HA PRO 43 10.038 23.311 -10.783 303 HB2 PRO 43 1HB PRO 43 9.898 25.616 -12.210 304 HB3 PRO 43 2HB PRO 43 11.322 25.152 -11.273 305 HG2 PRO 43 1HG PRO 43 10.819 24.885 -14.212 306 HG3 PRO 43 2HG PRO 43 12.287 25.418 -13.372 307 HD2 PRO 43 1HD PRO 43 12.001 22.913 -14.359 308 HD3 PRO 43 2HD PRO 43 12.951 23.262 -12.900 309 H SER 44 H SER 44 7.985 24.635 -10.949 310 HA SER 44 HA SER 44 6.127 23.216 -12.680 311 HB2 SER 44 1HB SER 44 5.849 24.957 -10.254 312 HB3 SER 44 2HB SER 44 4.454 24.692 -11.300 313 HG SER 44 HG SER 44 4.293 23.010 -9.990 314 H SER 45 H SER 45 7.644 24.717 -14.273 315 HA SER 45 HA SER 45 6.254 27.245 -14.755 316 HB2 SER 45 1HB SER 45 8.717 27.278 -14.753 317 HB3 SER 45 2HB SER 45 8.733 26.104 -16.069 318 HG SER 45 HG SER 45 8.770 27.879 -17.225 319 H GLY 46 H GLY 46 4.301 26.531 -15.614 320 HA2 GLY 46 1HA GLY 46 3.403 26.516 -17.936 321 HA3 GLY 46 2HA GLY 46 4.517 25.191 -18.240 Start of MODEL 11 1 H1 GLY 1 H GLY 1 5.206 -21.772 -8.843 2 HA2 GLY 1 1HA GLY 1 4.328 -22.945 -6.331 3 HA3 GLY 1 2HA GLY 1 4.818 -21.259 -6.250 4 H SER 2 H SER 2 2.261 -22.019 -5.573 5 HA SER 2 HA SER 2 0.727 -20.627 -7.636 6 HB2 SER 2 1HB SER 2 0.083 -23.359 -6.535 7 HB3 SER 2 2HB SER 2 -1.163 -22.318 -7.222 8 HG SER 2 HG SER 2 0.974 -23.612 -8.473 9 H SER 3 H SER 3 -0.241 -18.968 -6.696 10 HA SER 3 HA SER 3 -0.786 -19.062 -3.823 11 HB2 SER 3 1HB SER 3 -0.658 -16.785 -5.804 12 HB3 SER 3 2HB SER 3 -1.206 -16.578 -4.141 13 HG SER 3 HG SER 3 0.833 -17.348 -3.456 14 H GLY 4 H GLY 4 -2.797 -18.949 -2.959 15 HA2 GLY 4 1HA GLY 4 -5.033 -19.173 -4.852 16 HA3 GLY 4 2HA GLY 4 -5.046 -19.717 -3.181 17 H SER 5 H SER 5 -6.837 -17.895 -4.764 18 HA SER 5 HA SER 5 -6.681 -15.566 -2.963 19 HB2 SER 5 1HB SER 5 -7.690 -14.208 -4.712 20 HB3 SER 5 2HB SER 5 -6.243 -14.995 -5.344 21 HG SER 5 HG SER 5 -8.727 -15.132 -6.272 22 H SER 6 H SER 6 -7.965 -17.889 -2.169 23 HA SER 6 HA SER 6 -10.823 -17.361 -2.568 24 HB2 SER 6 1HB SER 6 -9.281 -19.757 -1.599 25 HB3 SER 6 2HB SER 6 -11.010 -19.605 -1.288 26 HG SER 6 HG SER 6 -9.653 -19.931 -3.719 27 H GLY 7 H GLY 7 -12.104 -16.614 -0.979 28 HA2 GLY 7 1HA GLY 7 -12.243 -16.903 1.632 29 HA3 GLY 7 2HA GLY 7 -10.809 -15.891 1.545 30 H SER 8 H SER 8 -12.957 -15.011 2.958 31 HA SER 8 HA SER 8 -14.725 -13.400 1.403 32 HB2 SER 8 1HB SER 8 -15.441 -12.468 3.554 33 HB3 SER 8 2HB SER 8 -15.324 -14.225 3.652 34 HG SER 8 HG SER 8 -14.126 -13.794 5.330 35 H GLY 9 H GLY 9 -11.887 -12.667 3.425 36 HA2 GLY 9 1HA GLY 9 -11.879 -9.888 2.917 37 HA3 GLY 9 2HA GLY 9 -10.513 -10.829 3.498 38 H GLU 10 H GLU 10 -11.045 -8.669 1.329 39 HA GLU 10 HA GLU 10 -9.232 -9.878 -0.614 40 HB2 GLU 10 1HB GLU 10 -10.532 -9.241 -2.519 41 HB3 GLU 10 2HB GLU 10 -11.575 -10.173 -1.454 42 HG2 GLU 10 1HG GLU 10 -11.545 -7.190 -1.310 43 HG3 GLU 10 2HG GLU 10 -12.480 -8.022 -2.551 44 H LYS 11 H LYS 11 -8.244 -8.263 -2.055 45 HA LYS 11 HA LYS 11 -8.213 -5.570 -0.864 46 HB2 LYS 11 1HB LYS 11 -5.842 -7.152 -1.875 47 HB3 LYS 11 2HB LYS 11 -5.784 -5.472 -1.356 48 HG2 LYS 11 1HG LYS 11 -5.091 -6.471 0.558 49 HG3 LYS 11 2HG LYS 11 -6.832 -6.498 0.847 50 HD2 LYS 11 1HD LYS 11 -6.878 -8.798 -0.130 51 HD3 LYS 11 2HD LYS 11 -5.115 -8.751 -0.190 52 HE2 LYS 11 1HE LYS 11 -6.655 -8.276 2.348 53 HE3 LYS 11 2HE LYS 11 -6.181 -9.891 1.823 54 HZ1 LYS 11 3HZ LYS 11 -4.652 -8.553 3.404 55 HZ2 LYS 11 1HZ LYS 11 -4.154 -7.767 1.991 56 HZ3 LYS 11 2HZ LYS 11 -3.964 -9.441 2.139 57 HA PRO 12 HA PRO 12 -9.253 -5.103 -5.305 58 HB2 PRO 12 1HB PRO 12 -10.808 -2.911 -4.920 59 HB3 PRO 12 2HB PRO 12 -11.409 -4.562 -4.725 60 HG2 PRO 12 1HG PRO 12 -10.499 -2.617 -2.638 61 HG3 PRO 12 2HG PRO 12 -11.905 -3.698 -2.623 62 HD2 PRO 12 1HD PRO 12 -9.611 -4.275 -1.307 63 HD3 PRO 12 2HD PRO 12 -10.649 -5.531 -2.012 64 H PHE 13 H PHE 13 -7.744 -3.114 -2.936 65 HA PHE 13 HA PHE 13 -6.770 -1.285 -5.028 66 HB2 PHE 13 1HB PHE 13 -6.877 -0.887 -2.030 67 HB3 PHE 13 2HB PHE 13 -6.230 0.273 -3.186 68 HD1 PHE 13 HD1 PHE 13 -7.749 1.376 -4.804 69 HD2 PHE 13 HD2 PHE 13 -9.201 -1.081 -1.646 70 HE1 PHE 13 HE1 PHE 13 -9.990 2.353 -5.079 71 HE2 PHE 13 HE2 PHE 13 -11.445 -0.108 -1.917 72 HZ PHE 13 HZ PHE 13 -11.842 1.610 -3.636 73 H LYS 14 H LYS 14 -4.667 -1.265 -5.531 74 HA LYS 14 HA LYS 14 -2.732 -2.452 -3.682 75 HB2 LYS 14 1HB LYS 14 -3.133 -4.313 -5.063 76 HB3 LYS 14 2HB LYS 14 -3.252 -3.324 -6.512 77 HG2 LYS 14 1HG LYS 14 -0.853 -2.862 -6.391 78 HG3 LYS 14 2HG LYS 14 -0.737 -3.870 -4.947 79 HD2 LYS 14 1HD LYS 14 -1.956 -5.050 -7.391 80 HD3 LYS 14 2HD LYS 14 -0.206 -4.823 -7.361 81 HE2 LYS 14 1HE LYS 14 -1.769 -6.264 -5.223 82 HE3 LYS 14 2HE LYS 14 -0.969 -7.065 -6.575 83 HZ1 LYS 14 3HZ LYS 14 1.141 -6.267 -5.807 84 HZ2 LYS 14 1HZ LYS 14 0.365 -7.050 -4.524 85 HZ3 LYS 14 2HZ LYS 14 0.415 -5.360 -4.577 86 H CYS 15 H CYS 15 -0.683 -1.590 -3.793 87 HA CYS 15 HA CYS 15 -0.467 0.996 -5.007 88 HB2 CYS 15 1HB CYS 15 0.537 0.279 -2.776 89 HB3 CYS 15 2HB CYS 15 1.770 -0.560 -3.713 90 H LYS 16 H LYS 16 0.297 1.479 -6.953 91 HA LYS 16 HA LYS 16 1.422 -0.620 -8.609 92 HB2 LYS 16 1HB LYS 16 0.544 2.211 -9.153 93 HB3 LYS 16 2HB LYS 16 1.372 1.240 -10.364 94 HG2 LYS 16 1HG LYS 16 -0.416 -0.131 -10.694 95 HG3 LYS 16 2HG LYS 16 -1.019 0.074 -9.047 96 HD2 LYS 16 1HD LYS 16 -2.580 1.276 -10.227 97 HD3 LYS 16 2HD LYS 16 -1.418 2.545 -9.836 98 HE2 LYS 16 1HE LYS 16 -0.345 1.808 -12.121 99 HE3 LYS 16 2HE LYS 16 -1.970 1.202 -12.439 100 HZ1 LYS 16 3HZ LYS 16 -2.080 3.824 -11.375 101 HZ2 LYS 16 1HZ LYS 16 -2.666 3.249 -12.854 102 HZ3 LYS 16 2HZ LYS 16 -1.070 3.795 -12.732 103 H GLU 17 H GLU 17 2.837 0.908 -6.313 104 HA GLU 17 HA GLU 17 5.218 1.703 -7.855 105 HB2 GLU 17 1HB GLU 17 4.166 2.619 -5.189 106 HB3 GLU 17 2HB GLU 17 5.845 2.867 -5.646 107 HG2 GLU 17 1HG GLU 17 3.542 3.821 -7.319 108 HG3 GLU 17 2HG GLU 17 4.281 4.796 -6.050 109 H CYS 18 H CYS 18 4.169 0.072 -4.878 110 HA CYS 18 HA CYS 18 6.713 -1.416 -4.895 111 HB2 CYS 18 1HB CYS 18 6.339 -1.765 -2.466 112 HB3 CYS 18 2HB CYS 18 6.505 -0.065 -2.893 113 H GLY 19 H GLY 19 3.242 -1.693 -4.169 114 HA2 GLY 19 1HA GLY 19 2.142 -3.614 -5.331 115 HA3 GLY 19 2HA GLY 19 3.471 -4.588 -4.720 116 H LYS 20 H LYS 20 2.183 -2.107 -2.693 117 HA LYS 20 HA LYS 20 1.449 -4.014 -0.693 118 HB2 LYS 20 1HB LYS 20 2.395 -1.795 -0.148 119 HB3 LYS 20 2HB LYS 20 0.945 -1.034 -0.787 120 HG2 LYS 20 1HG LYS 20 0.587 -1.041 1.501 121 HG3 LYS 20 2HG LYS 20 -0.313 -2.455 0.948 122 HD2 LYS 20 1HD LYS 20 1.637 -3.868 1.542 123 HD3 LYS 20 2HD LYS 20 2.434 -2.436 2.198 124 HE2 LYS 20 1HE LYS 20 0.274 -2.195 3.612 125 HE3 LYS 20 2HE LYS 20 0.019 -3.891 3.205 126 HZ1 LYS 20 3HZ LYS 20 1.945 -2.692 5.000 127 HZ2 LYS 20 1HZ LYS 20 2.571 -3.911 4.006 128 HZ3 LYS 20 2HZ LYS 20 1.259 -4.238 5.022 129 H ALA 21 H ALA 21 -0.539 -4.702 -0.061 130 HA ALA 21 HA ALA 21 -2.771 -4.035 -1.844 131 HB1 ALA 21 3HB ALA 21 -3.752 -6.104 -1.252 132 HB2 ALA 21 1HB ALA 21 -2.039 -6.429 -1.520 133 HB3 ALA 21 2HB ALA 21 -2.668 -6.307 0.124 134 H PHE 22 H PHE 22 -4.697 -3.247 -1.099 135 HA PHE 22 HA PHE 22 -4.906 -2.697 1.783 136 HB2 PHE 22 1HB PHE 22 -5.904 -0.731 -0.258 137 HB3 PHE 22 2HB PHE 22 -5.538 -0.467 1.444 138 HD1 PHE 22 HD1 PHE 22 -4.024 -1.066 -1.873 139 HD2 PHE 22 HD2 PHE 22 -3.400 0.221 2.136 140 HE1 PHE 22 HE1 PHE 22 -1.787 -0.244 -2.488 141 HE2 PHE 22 HE2 PHE 22 -1.163 1.045 1.527 142 HZ PHE 22 HZ PHE 22 -0.355 0.814 -0.787 143 H ARG 23 H ARG 23 -7.301 -1.660 2.067 144 HA ARG 23 HA ARG 23 -9.141 -3.544 0.743 145 HB2 ARG 23 1HB ARG 23 -9.012 -2.638 3.610 146 HB3 ARG 23 2HB ARG 23 -10.491 -3.293 2.920 147 HG2 ARG 23 1HG ARG 23 -9.611 -5.193 3.797 148 HG3 ARG 23 2HG ARG 23 -8.867 -5.247 2.198 149 HD2 ARG 23 1HD ARG 23 -6.800 -4.530 3.003 150 HD3 ARG 23 2HD ARG 23 -7.498 -3.885 4.488 151 HE ARG 23 HE ARG 23 -7.889 -6.681 4.357 152 HH11 ARG 23 1HH1 ARG 23 -5.420 -4.288 4.906 153 HH12 ARG 23 2HH1 ARG 23 -4.457 -5.323 5.908 154 HH21 ARG 23 1HH2 ARG 23 -6.630 -8.052 5.676 155 HH22 ARG 23 2HH2 ARG 23 -5.146 -7.464 6.345 156 H GLN 24 H GLN 24 -8.597 -0.303 1.929 157 HA GLN 24 HA GLN 24 -11.104 0.546 0.633 158 HB2 GLN 24 1HB GLN 24 -9.675 1.845 2.959 159 HB3 GLN 24 2HB GLN 24 -11.133 2.456 2.189 160 HG2 GLN 24 1HG GLN 24 -12.456 0.767 3.054 161 HG3 GLN 24 2HG GLN 24 -11.080 -0.295 3.349 162 HE21 GLN 24 1HE2 GLN 24 -10.646 -0.545 5.408 163 HE22 GLN 24 2HE2 GLN 24 -10.854 0.637 6.651 164 H ASN 25 H ASN 25 -11.074 2.435 -0.612 165 HA ASN 25 HA ASN 25 -8.790 2.867 -2.160 166 HB2 ASN 25 1HB ASN 25 -10.048 4.398 -3.340 167 HB3 ASN 25 2HB ASN 25 -11.327 3.484 -2.547 168 HD21 ASN 25 1HD2 ASN 25 -12.639 4.480 -1.122 169 HD22 ASN 25 2HD2 ASN 25 -12.532 6.154 -0.708 170 H ILE 26 H ILE 26 -9.884 4.384 0.787 171 HA ILE 26 HA ILE 26 -8.238 6.676 0.701 172 HB ILE 26 HB ILE 26 -10.196 6.300 2.253 173 HG12 ILE 26 1HG1 ILE 26 -7.703 7.122 3.734 174 HG13 ILE 26 2HG1 ILE 26 -8.387 8.107 2.446 175 HG21 ILE 26 1HG2 ILE 26 -8.150 4.778 3.862 176 HG22 ILE 26 2HG2 ILE 26 -9.795 5.173 4.360 177 HG23 ILE 26 3HG2 ILE 26 -9.523 4.061 3.019 178 HD11 ILE 26 3HD1 ILE 26 -9.566 7.433 5.113 179 HD12 ILE 26 1HD1 ILE 26 -9.233 9.018 4.417 180 HD13 ILE 26 2HD1 ILE 26 -10.554 8.036 3.783 181 H HIS 27 H HIS 27 -7.753 3.441 2.054 182 HA HIS 27 HA HIS 27 -5.334 3.872 3.361 183 HB2 HIS 27 1HB HIS 27 -6.700 1.498 2.196 184 HB3 HIS 27 2HB HIS 27 -4.995 1.334 2.605 185 HD1 HIS 27 HD1 HIS 27 -4.571 0.599 4.923 186 HD2 HIS 27 HD2 HIS 27 -8.233 2.528 4.564 187 HE1 HIS 27 HE1 HIS 27 -5.632 0.455 7.198 188 H LEU 28 H LEU 28 -5.916 2.847 0.007 189 HA LEU 28 HA LEU 28 -3.204 2.658 -0.730 190 HB2 LEU 28 1HB LEU 28 -4.766 1.578 -2.112 191 HB3 LEU 28 2HB LEU 28 -5.743 3.035 -2.284 192 HG LEU 28 HG LEU 28 -3.874 4.025 -3.626 193 HD11 LEU 28 1HD1 LEU 28 -2.102 2.695 -4.422 194 HD12 LEU 28 2HD1 LEU 28 -2.824 1.215 -3.791 195 HD13 LEU 28 3HD1 LEU 28 -2.162 2.415 -2.681 196 HD21 LEU 28 3HD2 LEU 28 -4.569 3.025 -5.624 197 HD22 LEU 28 1HD2 LEU 28 -5.935 2.811 -4.529 198 HD23 LEU 28 2HD2 LEU 28 -4.845 1.462 -4.852 199 H ALA 29 H ALA 29 -5.576 5.257 -1.294 200 HA ALA 29 HA ALA 29 -3.782 7.050 -2.508 201 HB1 ALA 29 3HB ALA 29 -5.719 8.593 -1.208 202 HB2 ALA 29 1HB ALA 29 -5.735 8.036 -2.881 203 HB3 ALA 29 2HB ALA 29 -6.517 7.076 -1.624 204 H SER 30 H SER 30 -4.179 6.114 0.762 205 HA SER 30 HA SER 30 -2.864 8.508 1.791 206 HB2 SER 30 1HB SER 30 -4.673 7.780 3.159 207 HB3 SER 30 2HB SER 30 -4.113 6.109 3.134 208 HG SER 30 HG SER 30 -3.055 6.592 4.872 209 H HIS 31 H HIS 31 -2.061 5.434 0.647 210 HA HIS 31 HA HIS 31 0.392 5.259 2.226 211 HB2 HIS 31 1HB HIS 31 -0.663 3.157 2.063 212 HB3 HIS 31 2HB HIS 31 -1.006 3.367 0.348 213 HD1 HIS 31 HD1 HIS 31 1.604 2.198 2.706 214 HD2 HIS 31 HD2 HIS 31 1.201 2.883 -1.372 215 HE1 HIS 31 HE1 HIS 31 3.581 1.070 1.636 216 H LEU 32 H LEU 32 -0.585 5.239 -1.201 217 HA LEU 32 HA LEU 32 1.749 5.209 -2.522 218 HB2 LEU 32 1HB LEU 32 -0.559 7.083 -3.003 219 HB3 LEU 32 2HB LEU 32 0.760 6.837 -4.146 220 HG LEU 32 HG LEU 32 -0.853 4.494 -3.229 221 HD11 LEU 32 1HD1 LEU 32 -2.550 6.070 -3.863 222 HD12 LEU 32 2HD1 LEU 32 -2.372 4.878 -5.149 223 HD13 LEU 32 3HD1 LEU 32 -1.673 6.487 -5.335 224 HD21 LEU 32 3HD2 LEU 32 1.281 4.860 -4.962 225 HD22 LEU 32 1HD2 LEU 32 -0.119 4.695 -6.022 226 HD23 LEU 32 2HD2 LEU 32 0.250 3.434 -4.845 227 H ARG 33 H ARG 33 0.669 7.746 -0.415 228 HA ARG 33 HA ARG 33 2.222 9.888 -1.214 229 HB2 ARG 33 1HB ARG 33 2.129 10.635 1.139 230 HB3 ARG 33 2HB ARG 33 0.565 10.090 0.547 231 HG2 ARG 33 1HG ARG 33 0.979 7.902 1.656 232 HG3 ARG 33 2HG ARG 33 2.445 8.591 2.356 233 HD2 ARG 33 1HD ARG 33 0.528 8.666 3.903 234 HD3 ARG 33 2HD ARG 33 1.149 10.270 3.513 235 HE ARG 33 HE ARG 33 -0.930 9.665 1.739 236 HH11 ARG 33 1HH1 ARG 33 -0.427 10.326 5.119 237 HH12 ARG 33 2HH1 ARG 33 -2.005 11.001 5.356 238 HH21 ARG 33 1HH2 ARG 33 -3.010 10.552 2.037 239 HH22 ARG 33 2HH2 ARG 33 -3.473 11.129 3.602 240 H ILE 34 H ILE 34 3.105 7.247 0.996 241 HA ILE 34 HA ILE 34 5.599 8.013 1.795 242 HB ILE 34 HB ILE 34 6.161 5.725 2.133 243 HG12 ILE 34 1HG1 ILE 34 3.878 4.862 0.366 244 HG13 ILE 34 2HG1 ILE 34 5.504 5.094 -0.268 245 HG21 ILE 34 1HG2 ILE 34 3.777 6.832 2.997 246 HG22 ILE 34 2HG2 ILE 34 3.327 5.215 2.459 247 HG23 ILE 34 3HG2 ILE 34 4.585 5.420 3.678 248 HD11 ILE 34 3HD1 ILE 34 6.252 3.467 1.544 249 HD12 ILE 34 1HD1 ILE 34 4.542 3.073 1.720 250 HD13 ILE 34 2HD1 ILE 34 5.353 2.813 0.175 251 H HIS 35 H HIS 35 4.613 7.047 -1.384 252 HA HIS 35 HA HIS 35 7.313 6.647 -2.344 253 HB2 HIS 35 1HB HIS 35 4.636 6.713 -3.744 254 HB3 HIS 35 2HB HIS 35 6.164 6.450 -4.581 255 HD1 HIS 35 HD1 HIS 35 7.356 4.177 -4.187 256 HD2 HIS 35 HD2 HIS 35 3.674 4.534 -2.296 257 HE1 HIS 35 HE1 HIS 35 6.740 1.847 -3.469 258 H THR 36 H THR 36 6.264 9.286 -1.238 259 HA THR 36 HA THR 36 6.454 11.058 -3.527 260 HB THR 36 HB THR 36 4.885 11.560 -1.672 261 HG1 THR 36 HG1 THR 36 5.900 13.812 -1.350 262 HG21 THR 36 3HG2 THR 36 7.401 12.089 -0.086 263 HG22 THR 36 1HG2 THR 36 6.281 10.755 0.184 264 HG23 THR 36 2HG2 THR 36 5.751 12.417 0.444 265 H GLY 37 H GLY 37 8.385 10.152 -0.712 266 HA2 GLY 37 1HA GLY 37 10.543 11.924 -1.626 267 HA3 GLY 37 2HA GLY 37 10.440 11.162 -0.045 268 H GLU 38 H GLU 38 10.091 8.548 -0.577 269 HA GLU 38 HA GLU 38 12.685 7.707 -1.310 270 HB2 GLU 38 1HB GLU 38 11.854 5.447 -1.017 271 HB3 GLU 38 2HB GLU 38 11.243 6.476 0.271 272 HG2 GLU 38 1HG GLU 38 9.132 6.711 -1.094 273 HG3 GLU 38 2HG GLU 38 9.759 5.415 -2.111 274 H LYS 39 H LYS 39 13.534 7.341 -3.243 275 HA LYS 39 HA LYS 39 12.324 7.857 -5.655 276 HB2 LYS 39 1HB LYS 39 14.732 6.313 -4.835 277 HB3 LYS 39 2HB LYS 39 14.168 6.111 -6.488 278 HG2 LYS 39 1HG LYS 39 15.684 7.824 -6.705 279 HG3 LYS 39 2HG LYS 39 14.166 8.707 -6.530 280 HD2 LYS 39 1HD LYS 39 15.690 9.796 -5.102 281 HD3 LYS 39 2HD LYS 39 14.688 8.802 -4.042 282 HE2 LYS 39 1HE LYS 39 16.999 8.594 -3.386 283 HE3 LYS 39 2HE LYS 39 16.447 7.066 -4.071 284 HZ1 LYS 39 3HZ LYS 39 17.464 8.516 -6.183 285 HZ2 LYS 39 1HZ LYS 39 18.175 7.177 -5.431 286 HZ3 LYS 39 2HZ LYS 39 18.569 8.741 -4.923 287 HA PRO 40 HA PRO 40 9.766 4.463 -6.746 288 HB2 PRO 40 1HB PRO 40 10.227 4.233 -9.412 289 HB3 PRO 40 2HB PRO 40 9.307 5.568 -8.707 290 HG2 PRO 40 1HG PRO 40 12.171 5.491 -9.574 291 HG3 PRO 40 2HG PRO 40 10.959 6.761 -9.827 292 HD2 PRO 40 1HD PRO 40 12.846 6.912 -7.891 293 HD3 PRO 40 2HD PRO 40 11.226 7.613 -7.702 294 H SER 41 H SER 41 10.220 2.466 -6.058 295 HA SER 41 HA SER 41 11.949 0.768 -7.621 296 HB2 SER 41 1HB SER 41 13.386 0.093 -5.740 297 HB3 SER 41 2HB SER 41 13.578 1.807 -6.103 298 HG SER 41 HG SER 41 13.333 1.267 -3.827 299 H GLY 42 H GLY 42 11.480 -1.400 -7.385 300 HA2 GLY 42 1HA GLY 42 9.667 -2.226 -5.249 301 HA3 GLY 42 2HA GLY 42 9.062 -2.353 -6.893 302 HA PRO 43 HA PRO 43 12.694 -5.527 -6.165 303 HB2 PRO 43 1HB PRO 43 12.813 -6.414 -3.602 304 HB3 PRO 43 2HB PRO 43 13.772 -5.051 -4.193 305 HG2 PRO 43 1HG PRO 43 11.210 -5.036 -2.644 306 HG3 PRO 43 2HG PRO 43 12.652 -4.026 -2.431 307 HD2 PRO 43 1HD PRO 43 10.435 -3.146 -3.711 308 HD3 PRO 43 2HD PRO 43 12.068 -2.608 -4.151 309 H SER 44 H SER 44 12.562 -7.907 -5.099 310 HA SER 44 HA SER 44 9.855 -8.829 -5.732 311 HB2 SER 44 1HB SER 44 12.538 -10.207 -5.681 312 HB3 SER 44 2HB SER 44 11.026 -11.106 -5.808 313 HG SER 44 HG SER 44 10.602 -9.619 -7.654 314 H SER 45 H SER 45 9.313 -10.981 -4.514 315 HA SER 45 HA SER 45 8.607 -11.920 -2.565 316 HB2 SER 45 1HB SER 45 11.365 -10.978 -1.831 317 HB3 SER 45 2HB SER 45 10.327 -11.735 -0.623 318 HG SER 45 HG SER 45 10.340 -13.601 -1.764 319 H GLY 46 H GLY 46 7.566 -9.406 -3.114 320 HA2 GLY 46 1HA GLY 46 5.993 -8.490 -1.371 321 HA3 GLY 46 2HA GLY 46 7.445 -8.157 -0.440 Start of MODEL 12 1 H1 GLY 1 H GLY 1 8.392 -19.027 0.732 2 HA2 GLY 1 1HA GLY 1 10.049 -19.504 -1.665 3 HA3 GLY 1 2HA GLY 1 8.758 -20.565 -1.119 4 H SER 2 H SER 2 8.763 -19.787 -3.708 5 HA SER 2 HA SER 2 6.729 -17.663 -3.855 6 HB2 SER 2 1HB SER 2 7.357 -17.504 -6.265 7 HB3 SER 2 2HB SER 2 8.693 -17.136 -5.175 8 HG SER 2 HG SER 2 8.795 -19.718 -5.605 9 H SER 3 H SER 3 4.948 -18.961 -3.379 10 HA SER 3 HA SER 3 4.395 -21.428 -4.640 11 HB2 SER 3 1HB SER 3 2.076 -21.077 -3.791 12 HB3 SER 3 2HB SER 3 3.308 -20.845 -2.551 13 HG SER 3 HG SER 3 1.478 -19.195 -2.963 14 H GLY 4 H GLY 4 3.063 -18.168 -5.217 15 HA2 GLY 4 1HA GLY 4 3.004 -17.501 -7.622 16 HA3 GLY 4 2HA GLY 4 2.311 -19.088 -7.925 17 H SER 5 H SER 5 0.156 -19.481 -7.426 18 HA SER 5 HA SER 5 -1.457 -17.058 -7.151 19 HB2 SER 5 1HB SER 5 -2.053 -19.849 -8.118 20 HB3 SER 5 2HB SER 5 -3.345 -18.707 -7.750 21 HG SER 5 HG SER 5 -2.610 -17.367 -9.347 22 H SER 6 H SER 6 -1.254 -16.693 -4.927 23 HA SER 6 HA SER 6 -2.603 -18.684 -3.222 24 HB2 SER 6 1HB SER 6 -0.370 -18.592 -2.449 25 HB3 SER 6 2HB SER 6 -0.294 -16.839 -2.625 26 HG SER 6 HG SER 6 -0.771 -18.052 -0.440 27 H GLY 7 H GLY 7 -4.423 -18.055 -2.257 28 HA2 GLY 7 1HA GLY 7 -5.301 -15.301 -2.590 29 HA3 GLY 7 2HA GLY 7 -6.278 -16.648 -2.023 30 H SER 8 H SER 8 -3.201 -15.298 -0.853 31 HA SER 8 HA SER 8 -4.247 -15.342 1.859 32 HB2 SER 8 1HB SER 8 -1.875 -14.619 2.429 33 HB3 SER 8 2HB SER 8 -2.033 -16.199 1.664 34 HG SER 8 HG SER 8 -0.899 -15.491 0.050 35 H GLY 9 H GLY 9 -5.792 -13.648 1.672 36 HA2 GLY 9 1HA GLY 9 -6.218 -11.466 2.472 37 HA3 GLY 9 2HA GLY 9 -4.581 -11.008 2.025 38 H GLU 10 H GLU 10 -7.857 -11.411 0.923 39 HA GLU 10 HA GLU 10 -7.239 -10.632 -1.794 40 HB2 GLU 10 1HB GLU 10 -9.650 -10.782 -2.169 41 HB3 GLU 10 2HB GLU 10 -9.048 -12.225 -1.365 42 HG2 GLU 10 1HG GLU 10 -9.800 -11.180 0.804 43 HG3 GLU 10 2HG GLU 10 -10.628 -9.969 -0.173 44 H LYS 11 H LYS 11 -7.041 -8.607 -2.458 45 HA LYS 11 HA LYS 11 -8.629 -6.501 -1.204 46 HB2 LYS 11 1HB LYS 11 -5.643 -6.661 -1.217 47 HB3 LYS 11 2HB LYS 11 -6.410 -5.085 -1.363 48 HG2 LYS 11 1HG LYS 11 -6.190 -5.177 0.891 49 HG3 LYS 11 2HG LYS 11 -7.766 -5.957 0.735 50 HD2 LYS 11 1HD LYS 11 -6.749 -8.140 0.876 51 HD3 LYS 11 2HD LYS 11 -5.134 -7.427 0.868 52 HE2 LYS 11 1HE LYS 11 -6.030 -6.142 2.969 53 HE3 LYS 11 2HE LYS 11 -7.186 -7.472 3.035 54 HZ1 LYS 11 3HZ LYS 11 -5.187 -8.980 2.925 55 HZ2 LYS 11 1HZ LYS 11 -5.381 -8.113 4.366 56 HZ3 LYS 11 2HZ LYS 11 -4.236 -7.614 3.226 57 HA PRO 12 HA PRO 12 -9.065 -5.608 -5.543 58 HB2 PRO 12 1HB PRO 12 -10.704 -3.467 -5.227 59 HB3 PRO 12 2HB PRO 12 -11.262 -5.136 -5.065 60 HG2 PRO 12 1HG PRO 12 -10.513 -3.174 -2.932 61 HG3 PRO 12 2HG PRO 12 -11.884 -4.297 -2.987 62 HD2 PRO 12 1HD PRO 12 -9.638 -4.809 -1.564 63 HD3 PRO 12 2HD PRO 12 -10.602 -6.093 -2.322 64 H PHE 13 H PHE 13 -7.861 -3.475 -3.083 65 HA PHE 13 HA PHE 13 -6.866 -1.592 -5.100 66 HB2 PHE 13 1HB PHE 13 -6.932 -1.366 -2.083 67 HB3 PHE 13 2HB PHE 13 -6.349 -0.122 -3.184 68 HD1 PHE 13 HD1 PHE 13 -7.901 1.129 -4.583 69 HD2 PHE 13 HD2 PHE 13 -9.277 -1.777 -1.794 70 HE1 PHE 13 HE1 PHE 13 -10.180 2.041 -4.761 71 HE2 PHE 13 HE2 PHE 13 -11.557 -0.871 -1.969 72 HZ PHE 13 HZ PHE 13 -12.012 1.040 -3.454 73 H LYS 14 H LYS 14 -4.789 -1.541 -5.669 74 HA LYS 14 HA LYS 14 -2.796 -2.793 -3.914 75 HB2 LYS 14 1HB LYS 14 -3.288 -4.488 -5.544 76 HB3 LYS 14 2HB LYS 14 -3.178 -3.328 -6.862 77 HG2 LYS 14 1HG LYS 14 -0.823 -3.130 -6.598 78 HG3 LYS 14 2HG LYS 14 -0.856 -4.046 -5.089 79 HD2 LYS 14 1HD LYS 14 -1.757 -5.212 -7.713 80 HD3 LYS 14 2HD LYS 14 -0.081 -5.293 -7.163 81 HE2 LYS 14 1HE LYS 14 -0.734 -6.518 -5.197 82 HE3 LYS 14 2HE LYS 14 -2.441 -6.317 -5.590 83 HZ1 LYS 14 3HZ LYS 14 -1.120 -8.497 -6.200 84 HZ2 LYS 14 1HZ LYS 14 -0.740 -7.604 -7.586 85 HZ3 LYS 14 2HZ LYS 14 -2.357 -7.903 -7.190 86 H CYS 15 H CYS 15 -0.729 -1.920 -4.023 87 HA CYS 15 HA CYS 15 -0.609 0.790 -5.002 88 HB2 CYS 15 1HB CYS 15 0.356 0.089 -2.804 89 HB3 CYS 15 2HB CYS 15 1.567 -0.842 -3.679 90 H LYS 16 H LYS 16 0.266 1.466 -6.848 91 HA LYS 16 HA LYS 16 1.345 -0.462 -8.701 92 HB2 LYS 16 1HB LYS 16 1.424 1.437 -10.272 93 HB3 LYS 16 2HB LYS 16 -0.157 1.265 -9.521 94 HG2 LYS 16 1HG LYS 16 0.168 3.141 -8.151 95 HG3 LYS 16 2HG LYS 16 1.905 3.171 -8.463 96 HD2 LYS 16 1HD LYS 16 1.166 4.879 -9.824 97 HD3 LYS 16 2HD LYS 16 1.161 3.514 -10.944 98 HE2 LYS 16 1HE LYS 16 -1.279 3.197 -10.285 99 HE3 LYS 16 2HE LYS 16 -1.171 4.789 -9.537 100 HZ1 LYS 16 3HZ LYS 16 -0.270 5.481 -11.843 101 HZ2 LYS 16 1HZ LYS 16 -1.937 5.277 -11.634 102 HZ3 LYS 16 2HZ LYS 16 -1.024 4.067 -12.385 103 H GLU 17 H GLU 17 2.632 1.431 -6.261 104 HA GLU 17 HA GLU 17 5.168 1.986 -7.536 105 HB2 GLU 17 1HB GLU 17 4.407 2.230 -4.621 106 HB3 GLU 17 2HB GLU 17 5.825 2.926 -5.394 107 HG2 GLU 17 1HG GLU 17 3.058 3.636 -6.289 108 HG3 GLU 17 2HG GLU 17 3.823 4.447 -4.924 109 H CYS 18 H CYS 18 4.320 0.183 -4.574 110 HA CYS 18 HA CYS 18 6.639 -1.552 -5.058 111 HB2 CYS 18 1HB CYS 18 6.355 -2.210 -2.670 112 HB3 CYS 18 2HB CYS 18 6.668 -0.491 -2.889 113 H GLY 19 H GLY 19 3.187 -1.661 -4.247 114 HA2 GLY 19 1HA GLY 19 1.956 -3.379 -5.611 115 HA3 GLY 19 2HA GLY 19 3.186 -4.504 -5.052 116 H LYS 20 H LYS 20 2.487 -2.317 -2.629 117 HA LYS 20 HA LYS 20 1.512 -4.157 -0.823 118 HB2 LYS 20 1HB LYS 20 2.304 -1.645 -0.568 119 HB3 LYS 20 2HB LYS 20 0.575 -1.329 -0.616 120 HG2 LYS 20 1HG LYS 20 0.266 -2.879 1.274 121 HG3 LYS 20 2HG LYS 20 2.015 -3.103 1.345 122 HD2 LYS 20 1HD LYS 20 2.292 -0.698 1.762 123 HD3 LYS 20 2HD LYS 20 0.539 -0.496 1.720 124 HE2 LYS 20 1HE LYS 20 2.052 -2.235 3.667 125 HE3 LYS 20 2HE LYS 20 1.422 -0.626 4.016 126 HZ1 LYS 20 3HZ LYS 20 -0.193 -3.008 3.282 127 HZ2 LYS 20 1HZ LYS 20 -0.813 -1.460 3.568 128 HZ3 LYS 20 2HZ LYS 20 -0.076 -2.321 4.823 129 H ALA 21 H ALA 21 -0.650 -4.186 0.238 130 HA ALA 21 HA ALA 21 -2.804 -3.872 -1.751 131 HB1 ALA 21 3HB ALA 21 -2.747 -6.144 -1.627 132 HB2 ALA 21 1HB ALA 21 -2.114 -6.151 0.019 133 HB3 ALA 21 2HB ALA 21 -3.822 -5.819 -0.268 134 H PHE 22 H PHE 22 -4.849 -3.246 -0.991 135 HA PHE 22 HA PHE 22 -5.082 -2.478 1.816 136 HB2 PHE 22 1HB PHE 22 -5.821 -0.481 -0.307 137 HB3 PHE 22 2HB PHE 22 -5.569 -0.215 1.415 138 HD1 PHE 22 HD1 PHE 22 -3.842 -0.970 -1.766 139 HD2 PHE 22 HD2 PHE 22 -3.458 0.370 2.256 140 HE1 PHE 22 HE1 PHE 22 -1.520 -0.295 -2.217 141 HE2 PHE 22 HE2 PHE 22 -1.135 1.049 1.811 142 HZ PHE 22 HZ PHE 22 -0.163 0.718 -0.428 143 H ARG 23 H ARG 23 -7.289 -1.954 2.445 144 HA ARG 23 HA ARG 23 -9.203 -3.531 0.899 145 HB2 ARG 23 1HB ARG 23 -9.099 -2.567 3.740 146 HB3 ARG 23 2HB ARG 23 -10.620 -3.098 3.035 147 HG2 ARG 23 1HG ARG 23 -8.138 -4.794 3.078 148 HG3 ARG 23 2HG ARG 23 -9.371 -4.831 4.340 149 HD2 ARG 23 1HD ARG 23 -9.913 -5.337 1.418 150 HD3 ARG 23 2HD ARG 23 -9.618 -6.607 2.605 151 HE ARG 23 HE ARG 23 -12.018 -5.022 2.305 152 HH11 ARG 23 1HH1 ARG 23 -10.160 -7.137 4.354 153 HH12 ARG 23 2HH1 ARG 23 -11.521 -7.616 5.314 154 HH21 ARG 23 1HH2 ARG 23 -13.817 -5.645 3.562 155 HH22 ARG 23 2HH2 ARG 23 -13.600 -6.768 4.862 156 H GLN 24 H GLN 24 -8.695 -0.279 2.139 157 HA GLN 24 HA GLN 24 -11.106 0.603 0.696 158 HB2 GLN 24 1HB GLN 24 -9.654 1.993 2.954 159 HB3 GLN 24 2HB GLN 24 -11.124 2.555 2.170 160 HG2 GLN 24 1HG GLN 24 -12.033 0.208 2.920 161 HG3 GLN 24 2HG GLN 24 -10.733 0.334 4.104 162 HE21 GLN 24 1HE2 GLN 24 -11.264 1.241 5.949 163 HE22 GLN 24 2HE2 GLN 24 -12.550 2.366 6.203 164 H ASN 25 H ASN 25 -11.000 2.454 -0.611 165 HA ASN 25 HA ASN 25 -8.629 2.747 -2.104 166 HB2 ASN 25 1HB ASN 25 -9.837 4.155 -3.473 167 HB3 ASN 25 2HB ASN 25 -11.149 3.285 -2.682 168 HD21 ASN 25 1HD2 ASN 25 -9.485 6.295 -2.999 169 HD22 ASN 25 2HD2 ASN 25 -10.610 7.253 -2.102 170 H ILE 26 H ILE 26 -9.892 4.437 0.668 171 HA ILE 26 HA ILE 26 -8.260 6.747 0.484 172 HB ILE 26 HB ILE 26 -10.228 6.786 1.880 173 HG12 ILE 26 1HG1 ILE 26 -7.836 6.913 3.719 174 HG13 ILE 26 2HG1 ILE 26 -8.169 8.135 2.497 175 HG21 ILE 26 1HG2 ILE 26 -8.851 4.653 3.507 176 HG22 ILE 26 2HG2 ILE 26 -10.328 5.491 3.982 177 HG23 ILE 26 3HG2 ILE 26 -10.318 4.467 2.546 178 HD11 ILE 26 3HD1 ILE 26 -10.333 8.581 3.572 179 HD12 ILE 26 1HD1 ILE 26 -9.929 7.407 4.824 180 HD13 ILE 26 2HD1 ILE 26 -8.964 8.872 4.644 181 H HIS 27 H HIS 27 -7.801 3.562 1.877 182 HA HIS 27 HA HIS 27 -5.493 4.149 3.400 183 HB2 HIS 27 1HB HIS 27 -6.769 1.659 2.354 184 HB3 HIS 27 2HB HIS 27 -5.120 1.565 2.963 185 HD1 HIS 27 HD1 HIS 27 -7.617 0.197 4.319 186 HD2 HIS 27 HD2 HIS 27 -5.883 3.789 5.482 187 HE1 HIS 27 HE1 HIS 27 -8.246 0.496 6.736 188 H LEU 28 H LEU 28 -5.896 2.810 0.131 189 HA LEU 28 HA LEU 28 -3.174 2.495 -0.453 190 HB2 LEU 28 1HB LEU 28 -4.632 1.403 -1.893 191 HB3 LEU 28 2HB LEU 28 -5.635 2.834 -2.118 192 HG LEU 28 HG LEU 28 -3.754 3.834 -3.440 193 HD11 LEU 28 1HD1 LEU 28 -2.623 1.117 -3.809 194 HD12 LEU 28 2HD1 LEU 28 -2.159 2.015 -2.364 195 HD13 LEU 28 3HD1 LEU 28 -1.855 2.698 -3.961 196 HD21 LEU 28 3HD2 LEU 28 -4.368 1.359 -4.891 197 HD22 LEU 28 1HD2 LEU 28 -4.691 3.040 -5.319 198 HD23 LEU 28 2HD2 LEU 28 -5.772 2.189 -4.215 199 H ALA 29 H ALA 29 -5.377 5.167 -1.293 200 HA ALA 29 HA ALA 29 -3.531 6.808 -2.569 201 HB1 ALA 29 3HB ALA 29 -6.197 7.079 -1.489 202 HB2 ALA 29 1HB ALA 29 -5.254 8.552 -1.260 203 HB3 ALA 29 2HB ALA 29 -5.457 7.876 -2.877 204 H SER 30 H SER 30 -4.275 6.476 0.865 205 HA SER 30 HA SER 30 -2.659 8.656 1.717 206 HB2 SER 30 1HB SER 30 -4.541 7.605 3.037 207 HB3 SER 30 2HB SER 30 -3.460 6.252 3.366 208 HG SER 30 HG SER 30 -1.990 8.101 4.096 209 H HIS 31 H HIS 31 -2.008 5.386 0.847 210 HA HIS 31 HA HIS 31 0.516 5.222 2.229 211 HB2 HIS 31 1HB HIS 31 -0.583 3.147 1.924 212 HB3 HIS 31 2HB HIS 31 -0.877 3.463 0.216 213 HD1 HIS 31 HD1 HIS 31 1.998 2.704 2.567 214 HD2 HIS 31 HD2 HIS 31 1.029 2.476 -1.467 215 HE1 HIS 31 HE1 HIS 31 3.905 1.473 1.486 216 H LEU 32 H LEU 32 -0.530 5.610 -1.144 217 HA LEU 32 HA LEU 32 1.856 5.607 -2.466 218 HB2 LEU 32 1HB LEU 32 -0.493 7.447 -2.885 219 HB3 LEU 32 2HB LEU 32 0.836 7.263 -4.028 220 HG LEU 32 HG LEU 32 -0.940 4.979 -3.190 221 HD11 LEU 32 1HD1 LEU 32 -2.554 6.081 -4.296 222 HD12 LEU 32 2HD1 LEU 32 -1.681 5.543 -5.730 223 HD13 LEU 32 3HD1 LEU 32 -1.415 7.166 -5.094 224 HD21 LEU 32 3HD2 LEU 32 0.171 4.772 -5.803 225 HD22 LEU 32 1HD2 LEU 32 0.447 3.742 -4.398 226 HD23 LEU 32 2HD2 LEU 32 1.467 5.156 -4.668 227 H ARG 33 H ARG 33 0.796 7.875 -0.119 228 HA ARG 33 HA ARG 33 2.178 10.178 -0.795 229 HB2 ARG 33 1HB ARG 33 1.867 9.094 2.007 230 HB3 ARG 33 2HB ARG 33 2.083 10.776 1.540 231 HG2 ARG 33 1HG ARG 33 -0.254 9.336 0.424 232 HG3 ARG 33 2HG ARG 33 -0.288 9.761 2.137 233 HD2 ARG 33 1HD ARG 33 0.524 12.098 1.179 234 HD3 ARG 33 2HD ARG 33 -0.299 11.510 -0.264 235 HE ARG 33 HE ARG 33 -1.961 11.185 1.993 236 HH11 ARG 33 1HH1 ARG 33 -0.680 13.644 -0.112 237 HH12 ARG 33 2HH1 ARG 33 -2.015 14.724 0.122 238 HH21 ARG 33 1HH2 ARG 33 -3.724 12.598 2.309 239 HH22 ARG 33 2HH2 ARG 33 -3.745 14.128 1.500 240 H ILE 34 H ILE 34 3.322 7.507 1.272 241 HA ILE 34 HA ILE 34 5.907 8.465 1.688 242 HB ILE 34 HB ILE 34 6.527 6.229 2.327 243 HG12 ILE 34 1HG1 ILE 34 3.912 5.093 1.440 244 HG13 ILE 34 2HG1 ILE 34 5.182 5.302 0.240 245 HG21 ILE 34 1HG2 ILE 34 3.975 7.398 3.176 246 HG22 ILE 34 2HG2 ILE 34 4.183 5.697 3.591 247 HG23 ILE 34 3HG2 ILE 34 5.366 6.888 4.132 248 HD11 ILE 34 3HD1 ILE 34 6.683 3.976 1.738 249 HD12 ILE 34 1HD1 ILE 34 5.269 3.629 2.733 250 HD13 ILE 34 2HD1 ILE 34 5.324 3.084 1.056 251 H HIS 35 H HIS 35 4.476 7.152 -1.129 252 HA HIS 35 HA HIS 35 7.013 6.403 -2.337 253 HB2 HIS 35 1HB HIS 35 4.136 6.167 -3.129 254 HB3 HIS 35 2HB HIS 35 5.378 6.076 -4.374 255 HD1 HIS 35 HD1 HIS 35 7.283 4.164 -3.859 256 HD2 HIS 35 HD2 HIS 35 3.628 3.799 -1.917 257 HE1 HIS 35 HE1 HIS 35 7.164 1.771 -3.093 258 H THR 36 H THR 36 4.611 8.955 -2.519 259 HA THR 36 HA THR 36 6.160 10.296 -4.619 260 HB THR 36 HB THR 36 3.720 10.057 -4.985 261 HG1 THR 36 HG1 THR 36 5.055 11.949 -5.699 262 HG21 THR 36 3HG2 THR 36 2.113 10.947 -3.600 263 HG22 THR 36 1HG2 THR 36 3.212 12.141 -2.911 264 HG23 THR 36 2HG2 THR 36 3.320 10.452 -2.414 265 H GLY 37 H GLY 37 7.197 12.200 -4.291 266 HA2 GLY 37 1HA GLY 37 6.908 14.287 -2.733 267 HA3 GLY 37 2HA GLY 37 7.379 13.114 -1.512 268 H GLU 38 H GLU 38 8.877 15.374 -1.880 269 HA GLU 38 HA GLU 38 10.988 16.132 -2.271 270 HB2 GLU 38 1HB GLU 38 11.517 13.162 -2.142 271 HB3 GLU 38 2HB GLU 38 12.788 14.376 -2.186 272 HG2 GLU 38 1HG GLU 38 11.480 15.351 -0.129 273 HG3 GLU 38 2HG GLU 38 10.886 13.696 -0.007 274 H LYS 39 H LYS 39 9.297 15.667 -4.573 275 HA LYS 39 HA LYS 39 11.176 14.787 -6.635 276 HB2 LYS 39 1HB LYS 39 8.405 15.727 -7.246 277 HB3 LYS 39 2HB LYS 39 9.364 14.490 -8.046 278 HG2 LYS 39 1HG LYS 39 8.378 14.097 -5.248 279 HG3 LYS 39 2HG LYS 39 7.340 13.770 -6.638 280 HD2 LYS 39 1HD LYS 39 10.079 12.613 -6.636 281 HD3 LYS 39 2HD LYS 39 8.875 11.895 -5.564 282 HE2 LYS 39 1HE LYS 39 8.524 10.652 -7.452 283 HE3 LYS 39 2HE LYS 39 7.388 11.970 -7.735 284 HZ1 LYS 39 3HZ LYS 39 9.866 12.749 -8.752 285 HZ2 LYS 39 1HZ LYS 39 8.448 12.411 -9.610 286 HZ3 LYS 39 2HZ LYS 39 9.569 11.181 -9.312 287 HA PRO 40 HA PRO 40 12.286 18.875 -7.814 288 HB2 PRO 40 1HB PRO 40 12.908 18.445 -10.422 289 HB3 PRO 40 2HB PRO 40 13.935 17.907 -9.088 290 HG2 PRO 40 1HG PRO 40 11.954 16.347 -10.702 291 HG3 PRO 40 2HG PRO 40 13.579 15.879 -10.170 292 HD2 PRO 40 1HD PRO 40 11.335 15.041 -8.907 293 HD3 PRO 40 2HD PRO 40 12.863 15.328 -8.050 294 H SER 41 H SER 41 11.974 20.194 -10.116 295 HA SER 41 HA SER 41 10.503 21.513 -11.246 296 HB2 SER 41 1HB SER 41 8.885 20.407 -12.583 297 HB3 SER 41 2HB SER 41 10.192 19.242 -12.378 298 HG SER 41 HG SER 41 7.623 19.260 -11.256 299 H GLY 42 H GLY 42 10.197 21.138 -8.297 300 HA2 GLY 42 1HA GLY 42 8.621 21.482 -6.616 301 HA3 GLY 42 2HA GLY 42 8.313 22.897 -7.612 302 HA PRO 43 HA PRO 43 5.009 19.474 -8.649 303 HB2 PRO 43 1HB PRO 43 4.613 17.675 -6.655 304 HB3 PRO 43 2HB PRO 43 5.753 17.406 -7.979 305 HG2 PRO 43 1HG PRO 43 6.279 18.354 -5.189 306 HG3 PRO 43 2HG PRO 43 7.183 17.178 -6.160 307 HD2 PRO 43 1HD PRO 43 7.994 19.743 -5.853 308 HD3 PRO 43 2HD PRO 43 8.298 18.816 -7.337 309 H SER 44 H SER 44 5.363 20.062 -5.146 310 HA SER 44 HA SER 44 2.661 21.241 -5.168 311 HB2 SER 44 1HB SER 44 2.818 19.091 -3.905 312 HB3 SER 44 2HB SER 44 3.998 19.849 -2.837 313 HG SER 44 HG SER 44 1.252 20.215 -3.005 314 H SER 45 H SER 45 5.843 21.328 -3.599 315 HA SER 45 HA SER 45 6.903 22.966 -2.404 316 HB2 SER 45 1HB SER 45 7.030 25.125 -3.575 317 HB3 SER 45 2HB SER 45 7.168 23.782 -4.710 318 HG SER 45 HG SER 45 4.621 24.804 -4.211 319 H GLY 46 H GLY 46 4.590 22.311 -1.128 320 HA2 GLY 46 1HA GLY 46 4.088 24.000 0.804 321 HA3 GLY 46 2HA GLY 46 3.229 24.827 -0.487 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -8.021 -24.633 -17.923 2 HA2 GLY 1 1HA GLY 1 -5.404 -25.845 -18.559 3 HA3 GLY 1 2HA GLY 1 -5.615 -24.102 -18.500 4 H SER 2 H SER 2 -5.901 -23.073 -16.498 5 HA SER 2 HA SER 2 -5.302 -24.754 -14.153 6 HB2 SER 2 1HB SER 2 -3.281 -23.597 -14.571 7 HB3 SER 2 2HB SER 2 -4.124 -22.096 -14.953 8 HG SER 2 HG SER 2 -3.437 -23.174 -12.500 9 H SER 3 H SER 3 -6.500 -21.540 -15.118 10 HA SER 3 HA SER 3 -7.975 -20.121 -14.081 11 HB2 SER 3 1HB SER 3 -9.491 -22.733 -13.854 12 HB3 SER 3 2HB SER 3 -10.202 -21.122 -13.757 13 HG SER 3 HG SER 3 -9.421 -22.567 -15.950 14 H GLY 4 H GLY 4 -5.985 -20.885 -12.300 15 HA2 GLY 4 1HA GLY 4 -7.365 -20.471 -9.796 16 HA3 GLY 4 2HA GLY 4 -6.554 -22.026 -9.912 17 H SER 5 H SER 5 -4.207 -21.695 -10.922 18 HA SER 5 HA SER 5 -2.587 -20.647 -9.000 19 HB2 SER 5 1HB SER 5 -0.778 -20.663 -10.635 20 HB3 SER 5 2HB SER 5 -1.811 -22.071 -10.878 21 HG SER 5 HG SER 5 -2.910 -20.529 -12.457 22 H SER 6 H SER 6 -2.175 -18.682 -8.256 23 HA SER 6 HA SER 6 -2.401 -16.404 -8.025 24 HB2 SER 6 1HB SER 6 -0.257 -16.946 -9.436 25 HB3 SER 6 2HB SER 6 -1.157 -16.181 -10.746 26 HG SER 6 HG SER 6 0.262 -14.840 -9.276 27 H GLY 7 H GLY 7 -4.782 -17.464 -8.982 28 HA2 GLY 7 1HA GLY 7 -5.671 -15.300 -10.786 29 HA3 GLY 7 2HA GLY 7 -6.235 -16.952 -10.986 30 H SER 8 H SER 8 -5.786 -15.114 -7.991 31 HA SER 8 HA SER 8 -8.697 -15.095 -7.610 32 HB2 SER 8 1HB SER 8 -8.347 -15.770 -5.225 33 HB3 SER 8 2HB SER 8 -7.936 -17.035 -6.383 34 HG SER 8 HG SER 8 -6.119 -17.055 -5.316 35 H GLY 9 H GLY 9 -9.211 -13.012 -7.470 36 HA2 GLY 9 1HA GLY 9 -7.430 -10.944 -6.783 37 HA3 GLY 9 2HA GLY 9 -9.181 -10.802 -6.853 38 H GLU 10 H GLU 10 -6.599 -10.435 -4.879 39 HA GLU 10 HA GLU 10 -7.930 -11.336 -2.442 40 HB2 GLU 10 1HB GLU 10 -5.178 -10.242 -3.001 41 HB3 GLU 10 2HB GLU 10 -5.778 -10.488 -1.367 42 HG2 GLU 10 1HG GLU 10 -4.589 -12.420 -1.772 43 HG3 GLU 10 2HG GLU 10 -6.245 -12.901 -2.140 44 H LYS 11 H LYS 11 -6.317 -8.342 -3.525 45 HA LYS 11 HA LYS 11 -8.354 -6.823 -2.034 46 HB2 LYS 11 1HB LYS 11 -5.458 -6.022 -2.345 47 HB3 LYS 11 2HB LYS 11 -6.685 -5.203 -1.388 48 HG2 LYS 11 1HG LYS 11 -6.082 -8.045 -0.767 49 HG3 LYS 11 2HG LYS 11 -4.917 -6.809 -0.285 50 HD2 LYS 11 1HD LYS 11 -6.891 -5.589 0.766 51 HD3 LYS 11 2HD LYS 11 -7.797 -7.087 0.539 52 HE2 LYS 11 1HE LYS 11 -5.879 -8.226 1.782 53 HE3 LYS 11 2HE LYS 11 -5.369 -6.603 2.243 54 HZ1 LYS 11 3HZ LYS 11 -7.015 -6.428 3.723 55 HZ2 LYS 11 1HZ LYS 11 -7.128 -8.112 3.612 56 HZ3 LYS 11 2HZ LYS 11 -8.165 -7.134 2.702 57 HA PRO 12 HA PRO 12 -9.112 -4.898 -5.940 58 HB2 PRO 12 1HB PRO 12 -10.603 -2.820 -5.032 59 HB3 PRO 12 2HB PRO 12 -11.222 -4.472 -5.138 60 HG2 PRO 12 1HG PRO 12 -10.162 -2.996 -2.760 61 HG3 PRO 12 2HG PRO 12 -11.584 -4.048 -2.880 62 HD2 PRO 12 1HD PRO 12 -9.230 -4.894 -1.843 63 HD3 PRO 12 2HD PRO 12 -10.328 -5.974 -2.726 64 H PHE 13 H PHE 13 -7.840 -3.092 -3.194 65 HA PHE 13 HA PHE 13 -6.712 -1.098 -5.033 66 HB2 PHE 13 1HB PHE 13 -7.007 -1.005 -2.023 67 HB3 PHE 13 2HB PHE 13 -6.348 0.284 -3.024 68 HD1 PHE 13 HD1 PHE 13 -7.836 1.439 -4.664 69 HD2 PHE 13 HD2 PHE 13 -9.326 -1.266 -1.734 70 HE1 PHE 13 HE1 PHE 13 -10.097 2.361 -4.967 71 HE2 PHE 13 HE2 PHE 13 -11.589 -0.349 -2.033 72 HZ PHE 13 HZ PHE 13 -11.978 1.467 -3.652 73 H LYS 14 H LYS 14 -4.635 -1.211 -5.540 74 HA LYS 14 HA LYS 14 -2.730 -2.315 -3.612 75 HB2 LYS 14 1HB LYS 14 -3.146 -4.234 -4.936 76 HB3 LYS 14 2HB LYS 14 -3.157 -3.300 -6.427 77 HG2 LYS 14 1HG LYS 14 -0.885 -3.238 -6.572 78 HG3 LYS 14 2HG LYS 14 -0.660 -3.325 -4.823 79 HD2 LYS 14 1HD LYS 14 -0.820 -5.611 -4.779 80 HD3 LYS 14 2HD LYS 14 -1.842 -5.675 -6.216 81 HE2 LYS 14 1HE LYS 14 1.083 -4.946 -6.244 82 HE3 LYS 14 2HE LYS 14 0.465 -6.569 -6.548 83 HZ1 LYS 14 3HZ LYS 14 -0.662 -4.387 -8.127 84 HZ2 LYS 14 1HZ LYS 14 -0.338 -5.988 -8.570 85 HZ3 LYS 14 2HZ LYS 14 0.922 -4.862 -8.487 86 H CYS 15 H CYS 15 -0.586 -1.600 -3.886 87 HA CYS 15 HA CYS 15 -0.385 0.980 -5.172 88 HB2 CYS 15 1HB CYS 15 0.581 0.461 -2.903 89 HB3 CYS 15 2HB CYS 15 1.778 -0.544 -3.713 90 H LYS 16 H LYS 16 0.625 1.450 -7.031 91 HA LYS 16 HA LYS 16 1.547 -0.740 -8.682 92 HB2 LYS 16 1HB LYS 16 0.111 1.191 -9.496 93 HB3 LYS 16 2HB LYS 16 1.550 2.196 -9.376 94 HG2 LYS 16 1HG LYS 16 1.473 1.569 -11.614 95 HG3 LYS 16 2HG LYS 16 2.659 0.472 -10.904 96 HD2 LYS 16 1HD LYS 16 1.386 -1.005 -12.118 97 HD3 LYS 16 2HD LYS 16 0.558 -1.067 -10.560 98 HE2 LYS 16 1HE LYS 16 -1.067 0.582 -11.374 99 HE3 LYS 16 2HE LYS 16 -0.245 0.616 -12.933 100 HZ1 LYS 16 3HZ LYS 16 -2.068 -0.834 -13.164 101 HZ2 LYS 16 1HZ LYS 16 -1.730 -1.639 -11.715 102 HZ3 LYS 16 2HZ LYS 16 -0.708 -1.835 -13.048 103 H GLU 17 H GLU 17 2.951 1.291 -6.439 104 HA GLU 17 HA GLU 17 5.515 1.547 -7.768 105 HB2 GLU 17 1HB GLU 17 4.554 2.326 -5.014 106 HB3 GLU 17 2HB GLU 17 6.208 2.559 -5.561 107 HG2 GLU 17 1HG GLU 17 5.382 4.606 -6.050 108 HG3 GLU 17 2HG GLU 17 4.985 3.787 -7.559 109 H CYS 18 H CYS 18 4.557 0.215 -4.598 110 HA CYS 18 HA CYS 18 6.794 -1.666 -4.776 111 HB2 CYS 18 1HB CYS 18 6.283 -2.081 -2.353 112 HB3 CYS 18 2HB CYS 18 6.750 -0.425 -2.724 113 H GLY 19 H GLY 19 3.315 -1.642 -4.010 114 HA2 GLY 19 1HA GLY 19 2.081 -3.426 -5.319 115 HA3 GLY 19 2HA GLY 19 3.262 -4.529 -4.629 116 H LYS 20 H LYS 20 2.576 -2.161 -2.396 117 HA LYS 20 HA LYS 20 1.440 -3.853 -0.522 118 HB2 LYS 20 1HB LYS 20 2.417 -1.395 -0.365 119 HB3 LYS 20 2HB LYS 20 0.716 -0.958 -0.462 120 HG2 LYS 20 1HG LYS 20 0.929 -1.102 1.790 121 HG3 LYS 20 2HG LYS 20 0.516 -2.783 1.444 122 HD2 LYS 20 1HD LYS 20 3.385 -1.982 1.405 123 HD3 LYS 20 2HD LYS 20 2.580 -2.163 2.965 124 HE2 LYS 20 1HE LYS 20 1.765 -4.429 1.884 125 HE3 LYS 20 2HE LYS 20 3.206 -4.207 0.893 126 HZ1 LYS 20 3HZ LYS 20 3.662 -3.787 3.702 127 HZ2 LYS 20 1HZ LYS 20 4.535 -4.718 2.591 128 HZ3 LYS 20 2HZ LYS 20 3.158 -5.360 3.335 129 H ALA 21 H ALA 21 -0.585 -4.484 -0.001 130 HA ALA 21 HA ALA 21 -2.715 -3.762 -1.876 131 HB1 ALA 21 3HB ALA 21 -3.076 -5.882 0.179 132 HB2 ALA 21 1HB ALA 21 -3.675 -5.798 -1.478 133 HB3 ALA 21 2HB ALA 21 -1.984 -6.193 -1.170 134 H PHE 22 H PHE 22 -4.859 -3.304 -1.090 135 HA PHE 22 HA PHE 22 -5.094 -2.491 1.698 136 HB2 PHE 22 1HB PHE 22 -5.910 -0.525 -0.422 137 HB3 PHE 22 2HB PHE 22 -5.618 -0.245 1.291 138 HD1 PHE 22 HD1 PHE 22 -3.996 -0.885 -1.956 139 HD2 PHE 22 HD2 PHE 22 -3.463 0.297 2.098 140 HE1 PHE 22 HE1 PHE 22 -1.702 -0.161 -2.473 141 HE2 PHE 22 HE2 PHE 22 -1.168 1.024 1.588 142 HZ PHE 22 HZ PHE 22 -0.285 0.796 -0.700 143 H ARG 23 H ARG 23 -7.296 -2.088 2.357 144 HA ARG 23 HA ARG 23 -9.183 -3.672 0.783 145 HB2 ARG 23 1HB ARG 23 -9.261 -2.693 3.640 146 HB3 ARG 23 2HB ARG 23 -10.572 -3.578 2.872 147 HG2 ARG 23 1HG ARG 23 -9.367 -5.551 2.785 148 HG3 ARG 23 2HG ARG 23 -7.814 -4.724 2.929 149 HD2 ARG 23 1HD ARG 23 -8.338 -5.876 4.995 150 HD3 ARG 23 2HD ARG 23 -8.366 -4.131 5.250 151 HE ARG 23 HE ARG 23 -10.959 -4.806 4.687 152 HH11 ARG 23 1HH1 ARG 23 -8.596 -5.770 7.054 153 HH12 ARG 23 2HH1 ARG 23 -9.772 -6.125 8.275 154 HH21 ARG 23 1HH2 ARG 23 -12.518 -5.269 6.286 155 HH22 ARG 23 2HH2 ARG 23 -12.003 -5.840 7.837 156 H GLN 24 H GLN 24 -8.700 -0.442 2.054 157 HA GLN 24 HA GLN 24 -11.171 0.416 0.697 158 HB2 GLN 24 1HB GLN 24 -9.753 1.699 3.039 159 HB3 GLN 24 2HB GLN 24 -11.183 2.343 2.244 160 HG2 GLN 24 1HG GLN 24 -11.049 -0.322 3.636 161 HG3 GLN 24 2HG GLN 24 -11.671 1.163 4.355 162 HE21 GLN 24 1HE2 GLN 24 -12.820 -1.544 3.481 163 HE22 GLN 24 2HE2 GLN 24 -14.253 -1.109 2.619 164 H ASN 25 H ASN 25 -11.110 2.614 -0.220 165 HA ASN 25 HA ASN 25 -8.811 2.943 -1.872 166 HB2 ASN 25 1HB ASN 25 -10.051 5.085 -2.560 167 HB3 ASN 25 2HB ASN 25 -10.853 3.550 -2.877 168 HD21 ASN 25 1HD2 ASN 25 -12.652 2.972 -1.672 169 HD22 ASN 25 2HD2 ASN 25 -13.524 4.115 -0.713 170 H ILE 26 H ILE 26 -10.102 4.642 0.940 171 HA ILE 26 HA ILE 26 -8.324 6.818 0.920 172 HB ILE 26 HB ILE 26 -10.241 6.989 2.306 173 HG12 ILE 26 1HG1 ILE 26 -7.968 6.571 4.248 174 HG13 ILE 26 2HG1 ILE 26 -8.042 7.949 3.155 175 HG21 ILE 26 1HG2 ILE 26 -9.514 4.283 3.076 176 HG22 ILE 26 2HG2 ILE 26 -9.961 5.286 4.455 177 HG23 ILE 26 3HG2 ILE 26 -11.083 5.087 3.110 178 HD11 ILE 26 3HD1 ILE 26 -9.748 8.935 4.294 179 HD12 ILE 26 1HD1 ILE 26 -10.389 7.403 4.887 180 HD13 ILE 26 2HD1 ILE 26 -8.940 8.095 5.616 181 H HIS 27 H HIS 27 -7.857 3.520 1.725 182 HA HIS 27 HA HIS 27 -5.587 3.932 3.447 183 HB2 HIS 27 1HB HIS 27 -6.886 1.528 2.201 184 HB3 HIS 27 2HB HIS 27 -5.306 1.389 2.968 185 HD1 HIS 27 HD1 HIS 27 -6.350 -0.162 4.784 186 HD2 HIS 27 HD2 HIS 27 -7.893 3.695 4.708 187 HE1 HIS 27 HE1 HIS 27 -7.619 0.098 6.940 188 H LEU 28 H LEU 28 -6.086 2.891 0.090 189 HA LEU 28 HA LEU 28 -3.355 2.502 -0.514 190 HB2 LEU 28 1HB LEU 28 -4.808 1.473 -1.991 191 HB3 LEU 28 2HB LEU 28 -5.838 2.896 -2.127 192 HG LEU 28 HG LEU 28 -3.962 3.984 -3.420 193 HD11 LEU 28 1HD1 LEU 28 -2.173 2.739 -4.235 194 HD12 LEU 28 2HD1 LEU 28 -2.927 1.201 -3.818 195 HD13 LEU 28 3HD1 LEU 28 -2.288 2.243 -2.547 196 HD21 LEU 28 3HD2 LEU 28 -5.956 3.084 -4.501 197 HD22 LEU 28 1HD2 LEU 28 -5.207 1.489 -4.571 198 HD23 LEU 28 2HD2 LEU 28 -4.523 2.825 -5.497 199 H ALA 29 H ALA 29 -5.540 5.233 -1.187 200 HA ALA 29 HA ALA 29 -3.707 6.901 -2.450 201 HB1 ALA 29 3HB ALA 29 -5.875 7.645 -2.628 202 HB2 ALA 29 1HB ALA 29 -6.223 7.378 -0.920 203 HB3 ALA 29 2HB ALA 29 -5.233 8.752 -1.414 204 H SER 30 H SER 30 -4.313 6.372 0.977 205 HA SER 30 HA SER 30 -2.650 8.513 1.876 206 HB2 SER 30 1HB SER 30 -4.536 7.379 3.179 207 HB3 SER 30 2HB SER 30 -3.394 6.071 3.486 208 HG SER 30 HG SER 30 -3.645 8.220 4.890 209 H HIS 31 H HIS 31 -2.100 5.257 0.875 210 HA HIS 31 HA HIS 31 0.470 5.012 2.162 211 HB2 HIS 31 1HB HIS 31 -0.648 2.957 1.883 212 HB3 HIS 31 2HB HIS 31 -1.068 3.314 0.211 213 HD1 HIS 31 HD1 HIS 31 1.600 1.863 2.326 214 HD2 HIS 31 HD2 HIS 31 1.054 2.941 -1.650 215 HE1 HIS 31 HE1 HIS 31 3.492 0.782 1.070 216 H LEU 32 H LEU 32 -0.639 5.257 -1.218 217 HA LEU 32 HA LEU 32 1.665 5.291 -2.608 218 HB2 LEU 32 1HB LEU 32 -0.603 7.247 -2.946 219 HB3 LEU 32 2HB LEU 32 0.637 6.915 -4.153 220 HG LEU 32 HG LEU 32 -1.238 4.799 -3.122 221 HD11 LEU 32 1HD1 LEU 32 -1.630 6.862 -5.235 222 HD12 LEU 32 2HD1 LEU 32 -2.784 6.196 -4.080 223 HD13 LEU 32 3HD1 LEU 32 -2.285 5.243 -5.477 224 HD21 LEU 32 3HD2 LEU 32 -0.108 3.426 -4.452 225 HD22 LEU 32 1HD2 LEU 32 1.066 4.717 -4.710 226 HD23 LEU 32 2HD2 LEU 32 -0.289 4.523 -5.822 227 H ARG 33 H ARG 33 0.673 7.661 -0.293 228 HA ARG 33 HA ARG 33 2.111 9.898 -0.988 229 HB2 ARG 33 1HB ARG 33 1.876 8.810 1.821 230 HB3 ARG 33 2HB ARG 33 2.135 10.486 1.357 231 HG2 ARG 33 1HG ARG 33 -0.288 9.149 0.305 232 HG3 ARG 33 2HG ARG 33 -0.251 9.537 2.026 233 HD2 ARG 33 1HD ARG 33 0.243 11.487 -0.223 234 HD3 ARG 33 2HD ARG 33 -1.262 11.333 0.683 235 HE ARG 33 HE ARG 33 1.147 12.648 1.533 236 HH11 ARG 33 1HH1 ARG 33 -1.766 11.057 2.584 237 HH12 ARG 33 2HH1 ARG 33 -1.803 11.854 4.122 238 HH21 ARG 33 1HH2 ARG 33 1.110 13.704 3.555 239 HH22 ARG 33 2HH2 ARG 33 -0.166 13.360 4.673 240 H ILE 34 H ILE 34 3.281 7.198 1.027 241 HA ILE 34 HA ILE 34 5.854 8.023 1.486 242 HB ILE 34 HB ILE 34 6.478 5.744 1.820 243 HG12 ILE 34 1HG1 ILE 34 3.957 4.847 0.427 244 HG13 ILE 34 2HG1 ILE 34 5.494 5.002 -0.418 245 HG21 ILE 34 1HG2 ILE 34 4.718 4.960 3.280 246 HG22 ILE 34 2HG2 ILE 34 4.865 6.711 3.413 247 HG23 ILE 34 3HG2 ILE 34 3.548 6.006 2.477 248 HD11 ILE 34 3HD1 ILE 34 4.943 2.700 0.347 249 HD12 ILE 34 1HD1 ILE 34 6.488 3.317 0.933 250 HD13 ILE 34 2HD1 ILE 34 5.090 3.276 2.007 251 H HIS 35 H HIS 35 4.448 7.202 -1.515 252 HA HIS 35 HA HIS 35 7.097 6.975 -2.776 253 HB2 HIS 35 1HB HIS 35 4.414 6.220 -3.947 254 HB3 HIS 35 2HB HIS 35 5.996 5.904 -4.652 255 HD1 HIS 35 HD1 HIS 35 7.560 4.265 -3.088 256 HD2 HIS 35 HD2 HIS 35 3.453 4.168 -2.466 257 HE1 HIS 35 HE1 HIS 35 7.115 2.110 -1.870 258 H THR 36 H THR 36 4.152 8.816 -2.651 259 HA THR 36 HA THR 36 5.016 10.492 -4.894 260 HB THR 36 HB THR 36 2.720 11.619 -4.393 261 HG1 THR 36 HG1 THR 36 1.260 10.244 -3.351 262 HG21 THR 36 3HG2 THR 36 3.316 9.045 -5.746 263 HG22 THR 36 1HG2 THR 36 2.716 10.562 -6.415 264 HG23 THR 36 2HG2 THR 36 1.619 9.484 -5.551 265 H GLY 37 H GLY 37 6.556 10.653 -2.548 266 HA2 GLY 37 1HA GLY 37 5.700 13.161 -1.280 267 HA3 GLY 37 2HA GLY 37 6.945 12.078 -0.675 268 H GLU 38 H GLU 38 8.112 11.860 -3.422 269 HA GLU 38 HA GLU 38 9.684 14.322 -3.275 270 HB2 GLU 38 1HB GLU 38 10.227 11.799 -4.848 271 HB3 GLU 38 2HB GLU 38 11.334 13.146 -4.625 272 HG2 GLU 38 1HG GLU 38 10.286 11.795 -2.202 273 HG3 GLU 38 2HG GLU 38 11.488 10.948 -3.175 274 H LYS 39 H LYS 39 6.949 13.699 -4.665 275 HA LYS 39 HA LYS 39 7.557 14.384 -7.417 276 HB2 LYS 39 1HB LYS 39 5.646 12.836 -6.502 277 HB3 LYS 39 2HB LYS 39 4.783 14.353 -6.288 278 HG2 LYS 39 1HG LYS 39 4.140 13.474 -8.388 279 HG3 LYS 39 2HG LYS 39 5.218 14.834 -8.709 280 HD2 LYS 39 1HD LYS 39 6.902 13.492 -9.487 281 HD3 LYS 39 2HD LYS 39 6.412 12.118 -8.492 282 HE2 LYS 39 1HE LYS 39 4.585 11.626 -9.953 283 HE3 LYS 39 2HE LYS 39 4.832 13.121 -10.854 284 HZ1 LYS 39 3HZ LYS 39 6.604 12.269 -11.965 285 HZ2 LYS 39 1HZ LYS 39 5.753 10.830 -11.711 286 HZ3 LYS 39 2HZ LYS 39 7.058 11.228 -10.711 287 HA PRO 40 HA PRO 40 7.314 18.748 -6.734 288 HB2 PRO 40 1HB PRO 40 7.142 19.496 -9.338 289 HB3 PRO 40 2HB PRO 40 8.648 18.949 -8.593 290 HG2 PRO 40 1HG PRO 40 6.719 17.428 -10.304 291 HG3 PRO 40 2HG PRO 40 8.492 17.435 -10.352 292 HD2 PRO 40 1HD PRO 40 7.074 15.457 -9.165 293 HD3 PRO 40 2HD PRO 40 8.670 15.970 -8.581 294 H SER 41 H SER 41 4.881 16.814 -8.179 295 HA SER 41 HA SER 41 3.011 18.979 -8.600 296 HB2 SER 41 1HB SER 41 2.814 15.980 -8.852 297 HB3 SER 41 2HB SER 41 1.407 17.028 -9.032 298 HG SER 41 HG SER 41 3.711 16.852 -10.641 299 H GLY 42 H GLY 42 1.072 19.296 -7.447 300 HA2 GLY 42 1HA GLY 42 -0.440 18.823 -5.666 301 HA3 GLY 42 2HA GLY 42 0.825 17.887 -4.882 302 HA PRO 43 HA PRO 43 0.587 22.474 -3.459 303 HB2 PRO 43 1HB PRO 43 -1.121 22.260 -1.359 304 HB3 PRO 43 2HB PRO 43 -1.656 22.662 -2.995 305 HG2 PRO 43 1HG PRO 43 -1.716 20.027 -1.575 306 HG3 PRO 43 2HG PRO 43 -2.959 20.778 -2.593 307 HD2 PRO 43 1HD PRO 43 -1.305 18.839 -3.506 308 HD3 PRO 43 2HD PRO 43 -1.925 20.135 -4.550 309 H SER 44 H SER 44 1.552 23.259 -1.513 310 HA SER 44 HA SER 44 2.935 21.153 0.005 311 HB2 SER 44 1HB SER 44 3.724 23.885 -0.901 312 HB3 SER 44 2HB SER 44 4.410 23.282 0.607 313 HG SER 44 HG SER 44 4.752 21.296 -0.905 314 H SER 45 H SER 45 0.329 21.769 0.744 315 HA SER 45 HA SER 45 -0.940 22.279 2.562 316 HB2 SER 45 1HB SER 45 1.808 22.113 3.759 317 HB3 SER 45 2HB SER 45 0.439 22.610 4.754 318 HG SER 45 HG SER 45 0.673 20.385 4.890 319 H GLY 46 H GLY 46 -0.504 24.378 0.857 320 HA2 GLY 46 1HA GLY 46 0.351 26.702 2.355 321 HA3 GLY 46 2HA GLY 46 -0.276 26.688 0.714 Start of MODEL 14 1 H1 GLY 1 H GLY 1 6.179 -29.158 10.858 2 HA2 GLY 1 1HA GLY 1 6.978 -27.919 8.332 3 HA3 GLY 1 2HA GLY 1 5.379 -28.533 8.728 4 H SER 2 H SER 2 7.422 -25.795 8.631 5 HA SER 2 HA SER 2 6.325 -24.034 10.429 6 HB2 SER 2 1HB SER 2 7.500 -23.666 7.693 7 HB3 SER 2 2HB SER 2 6.813 -22.282 8.544 8 HG SER 2 HG SER 2 8.683 -23.986 9.792 9 H SER 3 H SER 3 4.244 -23.671 10.807 10 HA SER 3 HA SER 3 2.384 -23.544 8.535 11 HB2 SER 3 1HB SER 3 1.969 -24.106 11.470 12 HB3 SER 3 2HB SER 3 0.627 -23.730 10.389 13 HG SER 3 HG SER 3 1.822 -25.533 9.086 14 H GLY 4 H GLY 4 0.880 -21.839 8.366 15 HA2 GLY 4 1HA GLY 4 0.907 -19.626 10.187 16 HA3 GLY 4 2HA GLY 4 1.808 -19.283 8.717 17 H SER 5 H SER 5 -0.459 -17.841 9.489 18 HA SER 5 HA SER 5 -2.478 -18.743 7.543 19 HB2 SER 5 1HB SER 5 -3.247 -18.539 9.916 20 HB3 SER 5 2HB SER 5 -2.876 -16.817 9.844 21 HG SER 5 HG SER 5 -5.017 -18.187 8.842 22 H SER 6 H SER 6 -1.388 -17.807 5.768 23 HA SER 6 HA SER 6 -0.901 -14.947 5.771 24 HB2 SER 6 1HB SER 6 -0.566 -17.010 3.578 25 HB3 SER 6 2HB SER 6 -0.053 -15.325 3.477 26 HG SER 6 HG SER 6 1.738 -16.279 4.174 27 H GLY 7 H GLY 7 -1.748 -13.582 4.005 28 HA2 GLY 7 1HA GLY 7 -3.538 -12.610 2.946 29 HA3 GLY 7 2HA GLY 7 -3.902 -14.231 2.372 30 H SER 8 H SER 8 -4.331 -12.067 5.149 31 HA SER 8 HA SER 8 -6.641 -13.633 6.016 32 HB2 SER 8 1HB SER 8 -5.265 -11.266 7.311 33 HB3 SER 8 2HB SER 8 -6.600 -12.177 8.016 34 HG SER 8 HG SER 8 -5.218 -13.616 8.649 35 H GLY 9 H GLY 9 -7.085 -12.432 3.598 36 HA2 GLY 9 1HA GLY 9 -9.464 -11.380 3.499 37 HA3 GLY 9 2HA GLY 9 -8.618 -9.993 4.170 38 H GLU 10 H GLU 10 -10.033 -10.099 1.675 39 HA GLU 10 HA GLU 10 -7.901 -10.024 -0.328 40 HB2 GLU 10 1HB GLU 10 -9.725 -9.846 -1.970 41 HB3 GLU 10 2HB GLU 10 -9.905 -11.260 -0.940 42 HG2 GLU 10 1HG GLU 10 -11.606 -10.164 0.356 43 HG3 GLU 10 2HG GLU 10 -11.362 -8.660 -0.530 44 H LYS 11 H LYS 11 -7.552 -8.202 -1.653 45 HA LYS 11 HA LYS 11 -8.799 -5.689 -0.832 46 HB2 LYS 11 1HB LYS 11 -5.892 -6.365 -0.616 47 HB3 LYS 11 2HB LYS 11 -6.363 -4.715 -1.002 48 HG2 LYS 11 1HG LYS 11 -6.244 -4.564 1.262 49 HG3 LYS 11 2HG LYS 11 -7.935 -5.041 1.089 50 HD2 LYS 11 1HD LYS 11 -7.037 -7.454 1.285 51 HD3 LYS 11 2HD LYS 11 -5.581 -6.696 1.934 52 HE2 LYS 11 1HE LYS 11 -6.913 -5.619 3.674 53 HE3 LYS 11 2HE LYS 11 -8.377 -6.346 3.014 54 HZ1 LYS 11 3HZ LYS 11 -7.813 -7.765 4.726 55 HZ2 LYS 11 1HZ LYS 11 -6.149 -7.644 4.440 56 HZ3 LYS 11 2HZ LYS 11 -7.124 -8.544 3.391 57 HA PRO 12 HA PRO 12 -8.820 -5.516 -5.303 58 HB2 PRO 12 1HB PRO 12 -10.328 -3.265 -5.458 59 HB3 PRO 12 2HB PRO 12 -11.014 -4.860 -5.126 60 HG2 PRO 12 1HG PRO 12 -10.337 -2.655 -3.218 61 HG3 PRO 12 2HG PRO 12 -11.771 -3.697 -3.260 62 HD2 PRO 12 1HD PRO 12 -9.712 -4.121 -1.554 63 HD3 PRO 12 2HD PRO 12 -10.686 -5.446 -2.223 64 H PHE 13 H PHE 13 -7.909 -2.940 -3.097 65 HA PHE 13 HA PHE 13 -6.600 -1.424 -5.201 66 HB2 PHE 13 1HB PHE 13 -6.776 -0.948 -2.219 67 HB3 PHE 13 2HB PHE 13 -6.030 0.154 -3.371 68 HD1 PHE 13 HD1 PHE 13 -7.407 1.363 -5.002 69 HD2 PHE 13 HD2 PHE 13 -9.144 -1.095 -1.992 70 HE1 PHE 13 HE1 PHE 13 -9.587 2.438 -5.386 71 HE2 PHE 13 HE2 PHE 13 -11.326 -0.024 -2.371 72 HZ PHE 13 HZ PHE 13 -11.550 1.745 -4.071 73 H LYS 14 H LYS 14 -4.484 -1.457 -5.653 74 HA LYS 14 HA LYS 14 -2.625 -2.671 -3.744 75 HB2 LYS 14 1HB LYS 14 -3.345 -4.436 -5.340 76 HB3 LYS 14 2HB LYS 14 -2.745 -3.446 -6.664 77 HG2 LYS 14 1HG LYS 14 -0.518 -3.527 -5.250 78 HG3 LYS 14 2HG LYS 14 -1.252 -5.007 -4.629 79 HD2 LYS 14 1HD LYS 14 -0.019 -5.758 -6.451 80 HD3 LYS 14 2HD LYS 14 -1.644 -5.583 -7.117 81 HE2 LYS 14 1HE LYS 14 -0.462 -4.507 -8.741 82 HE3 LYS 14 2HE LYS 14 -0.761 -3.147 -7.659 83 HZ1 LYS 14 3HZ LYS 14 1.654 -3.827 -8.563 84 HZ2 LYS 14 1HZ LYS 14 1.636 -4.676 -7.100 85 HZ3 LYS 14 2HZ LYS 14 1.396 -3.002 -7.109 86 H CYS 15 H CYS 15 -0.845 -1.486 -3.518 87 HA CYS 15 HA CYS 15 -0.436 0.958 -4.747 88 HB2 CYS 15 1HB CYS 15 0.650 0.020 -2.625 89 HB3 CYS 15 2HB CYS 15 1.826 -0.735 -3.697 90 H LYS 16 H LYS 16 0.377 1.607 -6.635 91 HA LYS 16 HA LYS 16 1.338 -0.418 -8.499 92 HB2 LYS 16 1HB LYS 16 0.542 2.473 -8.860 93 HB3 LYS 16 2HB LYS 16 1.189 1.479 -10.159 94 HG2 LYS 16 1HG LYS 16 -1.163 0.473 -8.645 95 HG3 LYS 16 2HG LYS 16 -1.398 1.774 -9.814 96 HD2 LYS 16 1HD LYS 16 -0.498 0.430 -11.584 97 HD3 LYS 16 2HD LYS 16 -0.014 -0.830 -10.446 98 HE2 LYS 16 1HE LYS 16 -2.163 -1.589 -10.165 99 HE3 LYS 16 2HE LYS 16 -2.881 -0.029 -10.563 100 HZ1 LYS 16 3HZ LYS 16 -1.631 -0.774 -12.861 101 HZ2 LYS 16 1HZ LYS 16 -3.287 -0.922 -12.545 102 HZ3 LYS 16 2HZ LYS 16 -2.254 -2.235 -12.278 103 H GLU 17 H GLU 17 2.954 0.655 -6.215 104 HA GLU 17 HA GLU 17 5.267 1.550 -7.804 105 HB2 GLU 17 1HB GLU 17 4.309 2.522 -5.123 106 HB3 GLU 17 2HB GLU 17 5.985 2.708 -5.618 107 HG2 GLU 17 1HG GLU 17 3.735 3.698 -7.327 108 HG3 GLU 17 2HG GLU 17 4.385 4.662 -6.003 109 H CYS 18 H CYS 18 4.261 0.008 -4.763 110 HA CYS 18 HA CYS 18 6.778 -1.519 -4.783 111 HB2 CYS 18 1HB CYS 18 6.343 -1.925 -2.381 112 HB3 CYS 18 2HB CYS 18 6.473 -0.210 -2.756 113 H GLY 19 H GLY 19 3.273 -1.804 -4.365 114 HA2 GLY 19 1HA GLY 19 2.267 -3.724 -5.578 115 HA3 GLY 19 2HA GLY 19 3.551 -4.701 -4.882 116 H LYS 20 H LYS 20 2.390 -2.340 -2.753 117 HA LYS 20 HA LYS 20 1.460 -4.214 -0.877 118 HB2 LYS 20 1HB LYS 20 2.230 -1.695 -0.642 119 HB3 LYS 20 2HB LYS 20 0.505 -1.385 -0.788 120 HG2 LYS 20 1HG LYS 20 0.021 -2.326 1.229 121 HG3 LYS 20 2HG LYS 20 1.389 -3.440 1.163 122 HD2 LYS 20 1HD LYS 20 2.905 -1.805 1.855 123 HD3 LYS 20 2HD LYS 20 1.816 -0.483 1.430 124 HE2 LYS 20 1HE LYS 20 1.585 -0.492 3.709 125 HE3 LYS 20 2HE LYS 20 0.283 -1.591 3.255 126 HZ1 LYS 20 3HZ LYS 20 1.229 -3.160 4.470 127 HZ2 LYS 20 1HZ LYS 20 2.474 -2.102 4.913 128 HZ3 LYS 20 2HZ LYS 20 2.640 -3.077 3.540 129 H ALA 21 H ALA 21 -0.842 -3.751 0.167 130 HA ALA 21 HA ALA 21 -2.884 -3.552 -1.921 131 HB1 ALA 21 3HB ALA 21 -4.010 -5.587 -0.892 132 HB2 ALA 21 1HB ALA 21 -2.586 -5.882 -1.890 133 HB3 ALA 21 2HB ALA 21 -2.455 -5.926 -0.132 134 H PHE 22 H PHE 22 -4.972 -3.031 -1.155 135 HA PHE 22 HA PHE 22 -5.304 -2.498 1.685 136 HB2 PHE 22 1HB PHE 22 -5.972 -0.246 -0.166 137 HB3 PHE 22 2HB PHE 22 -5.588 -0.205 1.552 138 HD1 PHE 22 HD1 PHE 22 -4.053 -0.862 -1.770 139 HD2 PHE 22 HD2 PHE 22 -3.470 0.416 2.248 140 HE1 PHE 22 HE1 PHE 22 -1.737 -0.231 -2.310 141 HE2 PHE 22 HE2 PHE 22 -1.154 1.051 1.714 142 HZ PHE 22 HZ PHE 22 -0.284 0.728 -0.568 143 H ARG 23 H ARG 23 -7.455 -2.352 2.343 144 HA ARG 23 HA ARG 23 -9.342 -3.573 0.522 145 HB2 ARG 23 1HB ARG 23 -9.281 -4.377 2.803 146 HB3 ARG 23 2HB ARG 23 -9.571 -2.757 3.422 147 HG2 ARG 23 1HG ARG 23 -11.796 -2.752 2.506 148 HG3 ARG 23 2HG ARG 23 -11.513 -4.309 1.726 149 HD2 ARG 23 1HD ARG 23 -12.756 -4.758 3.691 150 HD3 ARG 23 2HD ARG 23 -11.097 -5.254 4.024 151 HE ARG 23 HE ARG 23 -11.760 -2.566 4.853 152 HH11 ARG 23 1HH1 ARG 23 -11.601 -5.927 5.746 153 HH12 ARG 23 2HH1 ARG 23 -11.530 -5.606 7.448 154 HH21 ARG 23 1HH2 ARG 23 -11.667 -2.131 7.090 155 HH22 ARG 23 2HH2 ARG 23 -11.568 -3.447 8.211 156 H GLN 24 H GLN 24 -8.792 -0.451 2.010 157 HA GLN 24 HA GLN 24 -11.180 0.595 0.643 158 HB2 GLN 24 1HB GLN 24 -9.658 1.814 2.953 159 HB3 GLN 24 2HB GLN 24 -11.133 2.446 2.232 160 HG2 GLN 24 1HG GLN 24 -12.441 0.727 3.105 161 HG3 GLN 24 2HG GLN 24 -11.042 -0.296 3.429 162 HE21 GLN 24 1HE2 GLN 24 -10.851 -0.550 5.532 163 HE22 GLN 24 2HE2 GLN 24 -10.986 0.693 6.724 164 H ASN 25 H ASN 25 -11.029 2.526 -0.544 165 HA ASN 25 HA ASN 25 -8.664 2.831 -2.049 166 HB2 ASN 25 1HB ASN 25 -9.785 4.625 -3.172 167 HB3 ASN 25 2HB ASN 25 -10.998 3.399 -2.812 168 HD21 ASN 25 1HD2 ASN 25 -10.323 6.624 -2.718 169 HD22 ASN 25 2HD2 ASN 25 -11.503 7.126 -1.560 170 H ILE 26 H ILE 26 -9.968 4.573 0.715 171 HA ILE 26 HA ILE 26 -8.277 6.792 0.696 172 HB ILE 26 HB ILE 26 -10.222 6.633 2.173 173 HG12 ILE 26 1HG1 ILE 26 -7.842 6.883 3.987 174 HG13 ILE 26 2HG1 ILE 26 -8.079 8.032 2.675 175 HG21 ILE 26 1HG2 ILE 26 -8.675 4.843 4.007 176 HG22 ILE 26 2HG2 ILE 26 -10.406 5.177 3.971 177 HG23 ILE 26 3HG2 ILE 26 -9.677 4.168 2.722 178 HD11 ILE 26 3HD1 ILE 26 -10.181 8.725 3.587 179 HD12 ILE 26 1HD1 ILE 26 -10.110 7.465 4.819 180 HD13 ILE 26 2HD1 ILE 26 -8.956 8.799 4.854 181 H HIS 27 H HIS 27 -7.842 3.605 2.192 182 HA HIS 27 HA HIS 27 -5.458 4.070 3.537 183 HB2 HIS 27 1HB HIS 27 -6.666 1.615 2.302 184 HB3 HIS 27 2HB HIS 27 -5.064 1.545 3.029 185 HD1 HIS 27 HD1 HIS 27 -5.124 0.796 5.372 186 HD2 HIS 27 HD2 HIS 27 -8.582 2.851 4.333 187 HE1 HIS 27 HE1 HIS 27 -6.571 0.762 7.429 188 H LEU 28 H LEU 28 -5.913 2.855 0.220 189 HA LEU 28 HA LEU 28 -3.213 2.631 -0.453 190 HB2 LEU 28 1HB LEU 28 -4.788 1.611 -1.873 191 HB3 LEU 28 2HB LEU 28 -5.683 3.114 -2.090 192 HG LEU 28 HG LEU 28 -3.743 3.999 -3.386 193 HD11 LEU 28 1HD1 LEU 28 -2.774 1.155 -3.449 194 HD12 LEU 28 2HD1 LEU 28 -2.115 2.363 -2.346 195 HD13 LEU 28 3HD1 LEU 28 -1.985 2.597 -4.090 196 HD21 LEU 28 3HD2 LEU 28 -5.764 2.957 -4.419 197 HD22 LEU 28 1HD2 LEU 28 -4.868 1.441 -4.510 198 HD23 LEU 28 2HD2 LEU 28 -4.305 2.852 -5.405 199 H ALA 29 H ALA 29 -5.461 5.320 -1.100 200 HA ALA 29 HA ALA 29 -3.593 7.039 -2.283 201 HB1 ALA 29 3HB ALA 29 -6.299 7.276 -1.180 202 HB2 ALA 29 1HB ALA 29 -5.355 8.765 -1.141 203 HB3 ALA 29 2HB ALA 29 -5.618 7.926 -2.671 204 H SER 30 H SER 30 -4.188 6.243 1.037 205 HA SER 30 HA SER 30 -2.762 8.535 2.076 206 HB2 SER 30 1HB SER 30 -4.716 7.146 3.179 207 HB3 SER 30 2HB SER 30 -3.390 6.132 3.747 208 HG SER 30 HG SER 30 -3.895 7.802 5.230 209 H HIS 31 H HIS 31 -1.996 5.414 0.938 210 HA HIS 31 HA HIS 31 0.527 5.302 2.407 211 HB2 HIS 31 1HB HIS 31 -0.533 3.193 2.348 212 HB3 HIS 31 2HB HIS 31 -0.932 3.348 0.640 213 HD1 HIS 31 HD1 HIS 31 1.939 2.565 2.933 214 HD2 HIS 31 HD2 HIS 31 1.040 2.516 -1.123 215 HE1 HIS 31 HE1 HIS 31 3.839 1.335 1.838 216 H LEU 32 H LEU 32 -0.532 5.014 -0.990 217 HA LEU 32 HA LEU 32 1.754 5.024 -2.369 218 HB2 LEU 32 1HB LEU 32 -0.629 6.786 -2.905 219 HB3 LEU 32 2HB LEU 32 0.662 6.490 -4.067 220 HG LEU 32 HG LEU 32 -0.871 4.188 -2.930 221 HD11 LEU 32 1HD1 LEU 32 -2.619 5.660 -3.648 222 HD12 LEU 32 2HD1 LEU 32 -2.427 4.389 -4.856 223 HD13 LEU 32 3HD1 LEU 32 -1.777 6.000 -5.160 224 HD21 LEU 32 3HD2 LEU 32 -0.225 3.099 -4.928 225 HD22 LEU 32 1HD2 LEU 32 1.207 3.950 -4.347 226 HD23 LEU 32 2HD2 LEU 32 0.268 4.616 -5.682 227 H ARG 33 H ARG 33 0.562 7.700 -0.474 228 HA ARG 33 HA ARG 33 1.998 9.836 -1.408 229 HB2 ARG 33 1HB ARG 33 1.958 10.720 0.883 230 HB3 ARG 33 2HB ARG 33 0.411 10.013 0.436 231 HG2 ARG 33 1HG ARG 33 1.035 7.963 1.666 232 HG3 ARG 33 2HG ARG 33 2.522 8.763 2.180 233 HD2 ARG 33 1HD ARG 33 -0.300 9.627 2.800 234 HD3 ARG 33 2HD ARG 33 0.853 8.914 3.927 235 HE ARG 33 HE ARG 33 1.985 11.229 2.826 236 HH11 ARG 33 1HH1 ARG 33 -0.592 10.277 4.964 237 HH12 ARG 33 2HH1 ARG 33 -0.553 11.748 5.879 238 HH21 ARG 33 1HH2 ARG 33 2.046 13.170 4.022 239 HH22 ARG 33 2HH2 ARG 33 0.948 13.393 5.341 240 H ILE 34 H ILE 34 3.128 7.373 0.895 241 HA ILE 34 HA ILE 34 5.624 8.321 1.493 242 HB ILE 34 HB ILE 34 6.332 6.056 1.908 243 HG12 ILE 34 1HG1 ILE 34 3.856 4.893 0.719 244 HG13 ILE 34 2HG1 ILE 34 5.167 5.333 -0.370 245 HG21 ILE 34 1HG2 ILE 34 3.629 6.945 2.671 246 HG22 ILE 34 2HG2 ILE 34 3.988 5.243 2.957 247 HG23 ILE 34 3HG2 ILE 34 5.004 6.491 3.678 248 HD11 ILE 34 3HD1 ILE 34 5.148 3.294 1.818 249 HD12 ILE 34 1HD1 ILE 34 5.539 3.091 0.110 250 HD13 ILE 34 2HD1 ILE 34 6.656 3.944 1.176 251 H HIS 35 H HIS 35 4.498 7.091 -1.538 252 HA HIS 35 HA HIS 35 7.163 6.728 -2.621 253 HB2 HIS 35 1HB HIS 35 4.417 6.522 -3.867 254 HB3 HIS 35 2HB HIS 35 5.915 6.245 -4.750 255 HD1 HIS 35 HD1 HIS 35 7.207 4.065 -4.240 256 HD2 HIS 35 HD2 HIS 35 3.659 4.475 -2.117 257 HE1 HIS 35 HE1 HIS 35 6.748 1.798 -3.252 258 H THR 36 H THR 36 4.609 9.111 -2.653 259 HA THR 36 HA THR 36 6.112 10.750 -4.570 260 HB THR 36 HB THR 36 3.738 10.430 -5.091 261 HG1 THR 36 HG1 THR 36 4.704 12.989 -4.400 262 HG21 THR 36 3HG2 THR 36 2.227 10.366 -3.456 263 HG22 THR 36 1HG2 THR 36 2.477 12.092 -3.192 264 HG23 THR 36 2HG2 THR 36 3.426 10.914 -2.285 265 H GLY 37 H GLY 37 7.737 11.226 -2.924 266 HA2 GLY 37 1HA GLY 37 7.286 13.740 -1.701 267 HA3 GLY 37 2HA GLY 37 7.240 12.473 -0.484 268 H GLU 38 H GLU 38 9.151 10.935 -0.554 269 HA GLU 38 HA GLU 38 11.596 12.507 -1.028 270 HB2 GLU 38 1HB GLU 38 11.119 10.295 0.978 271 HB3 GLU 38 2HB GLU 38 12.632 11.163 0.757 272 HG2 GLU 38 1HG GLU 38 11.757 13.147 1.626 273 HG3 GLU 38 2HG GLU 38 10.093 12.594 1.447 274 H LYS 39 H LYS 39 12.123 11.850 -3.072 275 HA LYS 39 HA LYS 39 12.058 9.095 -3.866 276 HB2 LYS 39 1HB LYS 39 11.696 10.742 -5.564 277 HB3 LYS 39 2HB LYS 39 13.190 11.576 -5.158 278 HG2 LYS 39 1HG LYS 39 14.391 9.452 -5.854 279 HG3 LYS 39 2HG LYS 39 12.850 8.935 -6.542 280 HD2 LYS 39 1HD LYS 39 12.964 11.344 -7.646 281 HD3 LYS 39 2HD LYS 39 14.695 11.100 -7.408 282 HE2 LYS 39 1HE LYS 39 14.039 10.341 -9.614 283 HE3 LYS 39 2HE LYS 39 14.544 8.971 -8.626 284 HZ1 LYS 39 3HZ LYS 39 12.416 8.175 -8.480 285 HZ2 LYS 39 1HZ LYS 39 12.378 8.848 -10.032 286 HZ3 LYS 39 2HZ LYS 39 11.697 9.685 -8.729 287 HA PRO 40 HA PRO 40 15.998 7.874 -2.306 288 HB2 PRO 40 1HB PRO 40 16.383 5.691 -3.874 289 HB3 PRO 40 2HB PRO 40 15.240 5.716 -2.526 290 HG2 PRO 40 1HG PRO 40 14.722 6.057 -5.454 291 HG3 PRO 40 2HG PRO 40 13.809 5.118 -4.259 292 HD2 PRO 40 1HD PRO 40 13.016 7.566 -5.101 293 HD3 PRO 40 2HD PRO 40 12.705 6.975 -3.456 294 H SER 41 H SER 41 18.080 6.795 -3.534 295 HA SER 41 HA SER 41 19.163 8.962 -5.052 296 HB2 SER 41 1HB SER 41 21.232 7.707 -5.032 297 HB3 SER 41 2HB SER 41 20.490 7.589 -3.437 298 HG SER 41 HG SER 41 21.292 5.604 -4.830 299 H GLY 42 H GLY 42 19.747 9.036 -7.202 300 HA2 GLY 42 1HA GLY 42 20.050 7.275 -9.145 301 HA3 GLY 42 2HA GLY 42 18.310 7.161 -8.925 302 HA PRO 43 HA PRO 43 19.112 10.418 -12.107 303 HB2 PRO 43 1HB PRO 43 17.139 9.590 -13.779 304 HB3 PRO 43 2HB PRO 43 18.772 8.913 -13.810 305 HG2 PRO 43 1HG PRO 43 16.294 7.825 -12.529 306 HG3 PRO 43 2HG PRO 43 17.535 6.974 -13.468 307 HD2 PRO 43 1HD PRO 43 17.460 6.916 -10.762 308 HD3 PRO 43 2HD PRO 43 18.980 6.844 -11.677 309 H SER 44 H SER 44 18.310 11.896 -10.488 310 HA SER 44 HA SER 44 15.395 12.282 -10.523 311 HB2 SER 44 1HB SER 44 16.657 11.990 -8.311 312 HB3 SER 44 2HB SER 44 17.318 13.598 -8.606 313 HG SER 44 HG SER 44 15.540 14.183 -7.624 314 H SER 45 H SER 45 14.519 14.343 -10.891 315 HA SER 45 HA SER 45 16.140 15.995 -12.649 316 HB2 SER 45 1HB SER 45 13.986 17.170 -13.101 317 HB3 SER 45 2HB SER 45 13.909 15.437 -13.417 318 HG SER 45 HG SER 45 12.865 16.864 -11.209 319 H GLY 46 H GLY 46 14.262 16.352 -9.655 320 HA2 GLY 46 1HA GLY 46 14.630 17.778 -7.872 321 HA3 GLY 46 2HA GLY 46 16.065 18.373 -8.694 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -2.950 -32.509 -2.184 2 HA2 GLY 1 1HA GLY 1 -5.271 -32.377 -3.675 3 HA3 GLY 1 2HA GLY 1 -5.794 -32.448 -1.998 4 H SER 2 H SER 2 -6.705 -30.332 -2.356 5 HA SER 2 HA SER 2 -4.783 -28.243 -1.734 6 HB2 SER 2 1HB SER 2 -6.484 -28.251 -4.220 7 HB3 SER 2 2HB SER 2 -5.937 -26.742 -3.489 8 HG SER 2 HG SER 2 -3.949 -27.143 -4.117 9 H SER 3 H SER 3 -5.584 -27.419 0.074 10 HA SER 3 HA SER 3 -8.452 -27.397 0.548 11 HB2 SER 3 1HB SER 3 -7.192 -28.107 2.430 12 HB3 SER 3 2HB SER 3 -6.057 -26.767 2.272 13 HG SER 3 HG SER 3 -7.368 -25.548 3.373 14 H GLY 4 H GLY 4 -5.788 -25.025 0.570 15 HA2 GLY 4 1HA GLY 4 -5.903 -22.701 0.582 16 HA3 GLY 4 2HA GLY 4 -6.777 -23.029 -0.907 17 H SER 5 H SER 5 -7.654 -23.472 2.514 18 HA SER 5 HA SER 5 -9.968 -21.709 2.038 19 HB2 SER 5 1HB SER 5 -9.795 -24.353 3.452 20 HB3 SER 5 2HB SER 5 -11.038 -23.187 3.903 21 HG SER 5 HG SER 5 -10.708 -24.615 1.522 22 H SER 6 H SER 6 -7.523 -20.744 2.970 23 HA SER 6 HA SER 6 -7.782 -20.473 5.862 24 HB2 SER 6 1HB SER 6 -5.670 -19.588 3.892 25 HB3 SER 6 2HB SER 6 -5.643 -19.117 5.591 26 HG SER 6 HG SER 6 -5.986 -21.654 5.697 27 H GLY 7 H GLY 7 -7.495 -18.304 3.040 28 HA2 GLY 7 1HA GLY 7 -8.401 -16.231 2.641 29 HA3 GLY 7 2HA GLY 7 -9.588 -16.601 3.884 30 H SER 8 H SER 8 -7.911 -14.161 3.173 31 HA SER 8 HA SER 8 -6.990 -13.642 5.918 32 HB2 SER 8 1HB SER 8 -5.540 -13.144 3.337 33 HB3 SER 8 2HB SER 8 -5.245 -12.102 4.730 34 HG SER 8 HG SER 8 -4.164 -14.433 4.250 35 H GLY 9 H GLY 9 -7.660 -12.017 2.809 36 HA2 GLY 9 1HA GLY 9 -9.802 -10.494 3.527 37 HA3 GLY 9 2HA GLY 9 -8.428 -9.576 4.128 38 H GLU 10 H GLU 10 -10.050 -10.790 1.274 39 HA GLU 10 HA GLU 10 -8.406 -10.120 -0.777 40 HB2 GLU 10 1HB GLU 10 -10.765 -11.033 -0.916 41 HB3 GLU 10 2HB GLU 10 -11.330 -9.375 -0.765 42 HG2 GLU 10 1HG GLU 10 -11.351 -9.802 -3.055 43 HG3 GLU 10 2HG GLU 10 -9.881 -8.865 -2.792 44 H LYS 11 H LYS 11 -7.782 -8.304 -1.882 45 HA LYS 11 HA LYS 11 -8.741 -5.699 -0.965 46 HB2 LYS 11 1HB LYS 11 -5.900 -6.669 -0.823 47 HB3 LYS 11 2HB LYS 11 -6.256 -4.957 -1.010 48 HG2 LYS 11 1HG LYS 11 -7.419 -4.894 1.069 49 HG3 LYS 11 2HG LYS 11 -7.351 -6.651 1.222 50 HD2 LYS 11 1HD LYS 11 -4.764 -6.256 1.075 51 HD3 LYS 11 2HD LYS 11 -5.191 -4.622 1.590 52 HE2 LYS 11 1HE LYS 11 -4.867 -5.630 3.623 53 HE3 LYS 11 2HE LYS 11 -6.594 -5.907 3.401 54 HZ1 LYS 11 3HZ LYS 11 -5.557 -7.927 4.113 55 HZ2 LYS 11 1HZ LYS 11 -4.408 -7.844 2.874 56 HZ3 LYS 11 2HZ LYS 11 -6.034 -8.118 2.501 57 HA PRO 12 HA PRO 12 -8.643 -5.485 -5.460 58 HB2 PRO 12 1HB PRO 12 -10.160 -3.239 -5.609 59 HB3 PRO 12 2HB PRO 12 -10.848 -4.848 -5.357 60 HG2 PRO 12 1HG PRO 12 -10.270 -2.700 -3.354 61 HG3 PRO 12 2HG PRO 12 -11.693 -3.749 -3.490 62 HD2 PRO 12 1HD PRO 12 -9.706 -4.214 -1.711 63 HD3 PRO 12 2HD PRO 12 -10.641 -5.523 -2.463 64 H PHE 13 H PHE 13 -7.931 -2.901 -3.169 65 HA PHE 13 HA PHE 13 -6.563 -1.294 -5.136 66 HB2 PHE 13 1HB PHE 13 -6.665 -1.025 -2.124 67 HB3 PHE 13 2HB PHE 13 -6.031 0.179 -3.241 68 HD1 PHE 13 HD1 PHE 13 -7.636 1.160 -4.961 69 HD2 PHE 13 HD2 PHE 13 -8.917 -1.040 -1.549 70 HE1 PHE 13 HE1 PHE 13 -9.878 2.151 -5.168 71 HE2 PHE 13 HE2 PHE 13 -11.161 -0.052 -1.751 72 HZ PHE 13 HZ PHE 13 -11.645 1.545 -3.563 73 H LYS 14 H LYS 14 -4.584 -1.718 -5.824 74 HA LYS 14 HA LYS 14 -2.625 -2.813 -3.925 75 HB2 LYS 14 1HB LYS 14 -3.629 -4.479 -5.662 76 HB3 LYS 14 2HB LYS 14 -2.595 -3.638 -6.810 77 HG2 LYS 14 1HG LYS 14 -0.769 -4.117 -4.955 78 HG3 LYS 14 2HG LYS 14 -1.876 -5.437 -4.567 79 HD2 LYS 14 1HD LYS 14 -1.812 -5.874 -7.137 80 HD3 LYS 14 2HD LYS 14 -0.316 -4.938 -7.070 81 HE2 LYS 14 1HE LYS 14 0.778 -6.522 -5.819 82 HE3 LYS 14 2HE LYS 14 -0.711 -7.149 -5.114 83 HZ1 LYS 14 3HZ LYS 14 -0.143 -8.808 -6.570 84 HZ2 LYS 14 1HZ LYS 14 0.502 -7.750 -7.722 85 HZ3 LYS 14 2HZ LYS 14 -1.174 -7.886 -7.543 86 H CYS 15 H CYS 15 -1.000 -1.437 -3.711 87 HA CYS 15 HA CYS 15 -0.574 0.833 -5.245 88 HB2 CYS 15 1HB CYS 15 0.371 0.194 -2.925 89 HB3 CYS 15 2HB CYS 15 1.677 -0.570 -3.826 90 H LYS 16 H LYS 16 0.037 1.041 -7.284 91 HA LYS 16 HA LYS 16 1.368 -1.129 -8.661 92 HB2 LYS 16 1HB LYS 16 -0.515 0.473 -9.543 93 HB3 LYS 16 2HB LYS 16 0.834 1.541 -9.908 94 HG2 LYS 16 1HG LYS 16 1.828 -0.531 -11.104 95 HG3 LYS 16 2HG LYS 16 0.166 -1.127 -11.072 96 HD2 LYS 16 1HD LYS 16 0.642 1.648 -12.029 97 HD3 LYS 16 2HD LYS 16 1.098 0.314 -13.092 98 HE2 LYS 16 1HE LYS 16 -1.587 0.258 -11.809 99 HE3 LYS 16 2HE LYS 16 -1.323 1.370 -13.151 100 HZ1 LYS 16 3HZ LYS 16 -1.998 -1.242 -13.385 101 HZ2 LYS 16 1HZ LYS 16 -0.328 -1.276 -13.656 102 HZ3 LYS 16 2HZ LYS 16 -1.320 -0.294 -14.612 103 H GLU 17 H GLU 17 2.764 0.453 -6.552 104 HA GLU 17 HA GLU 17 5.048 1.342 -8.187 105 HB2 GLU 17 1HB GLU 17 3.904 2.522 -5.668 106 HB3 GLU 17 2HB GLU 17 5.576 2.808 -6.131 107 HG2 GLU 17 1HG GLU 17 5.003 4.085 -7.948 108 HG3 GLU 17 2HG GLU 17 3.417 3.335 -8.111 109 H CYS 18 H CYS 18 4.027 -0.069 -5.103 110 HA CYS 18 HA CYS 18 6.690 -1.312 -4.876 111 HB2 CYS 18 1HB CYS 18 6.232 -1.458 -2.433 112 HB3 CYS 18 2HB CYS 18 6.304 0.198 -3.026 113 H GLY 19 H GLY 19 3.223 -1.810 -4.274 114 HA2 GLY 19 1HA GLY 19 2.354 -3.934 -5.273 115 HA3 GLY 19 2HA GLY 19 3.715 -4.718 -4.483 116 H LYS 20 H LYS 20 2.227 -2.165 -2.748 117 HA LYS 20 HA LYS 20 1.418 -3.956 -0.663 118 HB2 LYS 20 1HB LYS 20 2.283 -1.453 -0.576 119 HB3 LYS 20 2HB LYS 20 0.565 -1.096 -0.698 120 HG2 LYS 20 1HG LYS 20 0.793 -1.152 1.563 121 HG3 LYS 20 2HG LYS 20 0.409 -2.849 1.263 122 HD2 LYS 20 1HD LYS 20 2.759 -3.428 1.336 123 HD3 LYS 20 2HD LYS 20 3.200 -1.728 1.515 124 HE2 LYS 20 1HE LYS 20 1.374 -3.066 3.480 125 HE3 LYS 20 2HE LYS 20 3.125 -3.227 3.617 126 HZ1 LYS 20 3HZ LYS 20 2.485 -1.406 4.955 127 HZ2 LYS 20 1HZ LYS 20 1.526 -0.734 3.735 128 HZ3 LYS 20 2HZ LYS 20 3.210 -0.741 3.579 129 H ALA 21 H ALA 21 -0.708 -4.186 0.191 130 HA ALA 21 HA ALA 21 -2.825 -3.749 -1.813 131 HB1 ALA 21 3HB ALA 21 -3.946 -5.727 -0.695 132 HB2 ALA 21 1HB ALA 21 -2.503 -6.077 -1.648 133 HB3 ALA 21 2HB ALA 21 -2.406 -6.018 0.113 134 H PHE 22 H PHE 22 -4.896 -3.155 -1.081 135 HA PHE 22 HA PHE 22 -5.168 -2.418 1.734 136 HB2 PHE 22 1HB PHE 22 -5.980 -0.419 -0.349 137 HB3 PHE 22 2HB PHE 22 -5.640 -0.166 1.360 138 HD1 PHE 22 HD1 PHE 22 -4.071 -0.890 -1.910 139 HD2 PHE 22 HD2 PHE 22 -3.498 0.446 2.090 140 HE1 PHE 22 HE1 PHE 22 -1.781 -0.188 -2.476 141 HE2 PHE 22 HE2 PHE 22 -1.208 1.151 1.530 142 HZ PHE 22 HZ PHE 22 -0.347 0.835 -0.755 143 H ARG 23 H ARG 23 -7.342 -2.129 2.424 144 HA ARG 23 HA ARG 23 -9.216 -3.722 0.892 145 HB2 ARG 23 1HB ARG 23 -9.415 -2.444 3.624 146 HB3 ARG 23 2HB ARG 23 -10.675 -3.436 2.903 147 HG2 ARG 23 1HG ARG 23 -8.751 -5.193 2.683 148 HG3 ARG 23 2HG ARG 23 -8.011 -4.231 3.964 149 HD2 ARG 23 1HD ARG 23 -10.851 -5.144 4.197 150 HD3 ARG 23 2HD ARG 23 -9.527 -6.240 4.591 151 HE ARG 23 HE ARG 23 -9.092 -3.839 5.945 152 HH11 ARG 23 1HH1 ARG 23 -11.364 -6.476 5.921 153 HH12 ARG 23 2HH1 ARG 23 -11.760 -6.322 7.601 154 HH21 ARG 23 1HH2 ARG 23 -9.605 -3.625 8.157 155 HH22 ARG 23 2HH2 ARG 23 -10.760 -4.699 8.871 156 H GLN 24 H GLN 24 -8.819 -0.383 1.927 157 HA GLN 24 HA GLN 24 -11.128 0.341 0.244 158 HB2 GLN 24 1HB GLN 24 -10.141 1.844 2.673 159 HB3 GLN 24 2HB GLN 24 -11.567 2.216 1.713 160 HG2 GLN 24 1HG GLN 24 -11.283 -0.419 3.102 161 HG3 GLN 24 2HG GLN 24 -11.871 1.009 3.953 162 HE21 GLN 24 1HE2 GLN 24 -12.568 -1.413 1.603 163 HE22 GLN 24 2HE2 GLN 24 -14.229 -1.006 1.359 164 H ASN 25 H ASN 25 -10.998 2.648 -0.552 165 HA ASN 25 HA ASN 25 -8.548 2.988 -1.966 166 HB2 ASN 25 1HB ASN 25 -10.336 3.740 -3.216 167 HB3 ASN 25 2HB ASN 25 -11.151 4.446 -1.823 168 HD21 ASN 25 1HD2 ASN 25 -8.513 4.857 -4.097 169 HD22 ASN 25 2HD2 ASN 25 -8.387 6.572 -3.928 170 H ILE 26 H ILE 26 -10.122 4.737 0.686 171 HA ILE 26 HA ILE 26 -8.471 6.897 0.982 172 HB ILE 26 HB ILE 26 -10.387 6.650 2.406 173 HG12 ILE 26 1HG1 ILE 26 -8.031 6.477 4.276 174 HG13 ILE 26 2HG1 ILE 26 -8.270 7.865 3.220 175 HG21 ILE 26 1HG2 ILE 26 -10.315 4.999 4.311 176 HG22 ILE 26 2HG2 ILE 26 -10.531 4.305 2.705 177 HG23 ILE 26 3HG2 ILE 26 -8.954 4.237 3.490 178 HD11 ILE 26 3HD1 ILE 26 -9.271 7.569 5.752 179 HD12 ILE 26 1HD1 ILE 26 -9.837 8.722 4.543 180 HD13 ILE 26 2HD1 ILE 26 -10.652 7.169 4.731 181 H HIS 27 H HIS 27 -7.830 3.564 1.881 182 HA HIS 27 HA HIS 27 -5.487 4.066 3.398 183 HB2 HIS 27 1HB HIS 27 -6.719 1.657 2.126 184 HB3 HIS 27 2HB HIS 27 -5.050 1.562 2.681 185 HD1 HIS 27 HD1 HIS 27 -7.462 -0.035 3.942 186 HD2 HIS 27 HD2 HIS 27 -5.815 3.471 5.443 187 HE1 HIS 27 HE1 HIS 27 -8.031 -0.020 6.392 188 H LEU 28 H LEU 28 -5.935 2.926 0.051 189 HA LEU 28 HA LEU 28 -3.274 2.786 -0.696 190 HB2 LEU 28 1HB LEU 28 -4.939 1.908 -2.138 191 HB3 LEU 28 2HB LEU 28 -5.737 3.473 -2.278 192 HG LEU 28 HG LEU 28 -3.778 4.309 -3.545 193 HD11 LEU 28 1HD1 LEU 28 -2.878 1.446 -3.692 194 HD12 LEU 28 2HD1 LEU 28 -2.208 2.595 -2.534 195 HD13 LEU 28 3HD1 LEU 28 -2.043 2.890 -4.265 196 HD21 LEU 28 3HD2 LEU 28 -5.768 3.436 -4.687 197 HD22 LEU 28 1HD2 LEU 28 -5.048 1.826 -4.696 198 HD23 LEU 28 2HD2 LEU 28 -4.293 3.134 -5.608 199 H ALA 29 H ALA 29 -5.490 5.537 -1.190 200 HA ALA 29 HA ALA 29 -3.593 7.311 -2.223 201 HB1 ALA 29 3HB ALA 29 -6.105 7.911 -0.667 202 HB2 ALA 29 1HB ALA 29 -5.184 9.087 -1.605 203 HB3 ALA 29 2HB ALA 29 -5.969 7.731 -2.416 204 H SER 30 H SER 30 -4.188 6.270 1.018 205 HA SER 30 HA SER 30 -2.763 8.484 2.227 206 HB2 SER 30 1HB SER 30 -4.699 7.352 3.350 207 HB3 SER 30 2HB SER 30 -3.695 5.914 3.525 208 HG SER 30 HG SER 30 -2.987 6.820 5.274 209 H HIS 31 H HIS 31 -2.008 5.465 0.855 210 HA HIS 31 HA HIS 31 0.492 5.203 2.345 211 HB2 HIS 31 1HB HIS 31 -0.558 3.112 2.098 212 HB3 HIS 31 2HB HIS 31 -0.977 3.422 0.416 213 HD1 HIS 31 HD1 HIS 31 1.896 2.386 2.595 214 HD2 HIS 31 HD2 HIS 31 0.987 2.773 -1.441 215 HE1 HIS 31 HE1 HIS 31 3.780 1.256 1.369 216 H LEU 32 H LEU 32 -0.546 5.283 -1.067 217 HA LEU 32 HA LEU 32 1.742 5.355 -2.440 218 HB2 LEU 32 1HB LEU 32 -0.611 7.203 -2.760 219 HB3 LEU 32 2HB LEU 32 0.702 7.104 -3.932 220 HG LEU 32 HG LEU 32 -0.887 4.674 -3.177 221 HD11 LEU 32 1HD1 LEU 32 -2.108 5.261 -5.403 222 HD12 LEU 32 2HD1 LEU 32 -1.658 6.915 -4.991 223 HD13 LEU 32 3HD1 LEU 32 -2.653 5.971 -3.883 224 HD21 LEU 32 3HD2 LEU 32 0.457 5.378 -5.773 225 HD22 LEU 32 1HD2 LEU 32 -0.090 3.797 -5.215 226 HD23 LEU 32 2HD2 LEU 32 1.300 4.568 -4.452 227 H ARG 33 H ARG 33 0.646 7.862 -0.272 228 HA ARG 33 HA ARG 33 2.172 10.024 -0.967 229 HB2 ARG 33 1HB ARG 33 2.184 10.632 1.429 230 HB3 ARG 33 2HB ARG 33 0.600 10.105 0.877 231 HG2 ARG 33 1HG ARG 33 1.045 7.876 1.847 232 HG3 ARG 33 2HG ARG 33 2.574 8.492 2.477 233 HD2 ARG 33 1HD ARG 33 -0.171 9.552 3.145 234 HD3 ARG 33 2HD ARG 33 0.818 8.523 4.181 235 HE ARG 33 HE ARG 33 2.450 10.595 3.784 236 HH11 ARG 33 1HH1 ARG 33 -0.924 10.468 4.631 237 HH12 ARG 33 2HH1 ARG 33 -0.888 11.948 5.531 238 HH21 ARG 33 1HH2 ARG 33 2.511 12.545 4.966 239 HH22 ARG 33 2HH2 ARG 33 1.066 13.129 5.720 240 H ILE 34 H ILE 34 3.193 7.292 1.069 241 HA ILE 34 HA ILE 34 5.722 8.065 1.760 242 HB ILE 34 HB ILE 34 6.337 5.744 1.932 243 HG12 ILE 34 1HG1 ILE 34 3.825 4.817 0.614 244 HG13 ILE 34 2HG1 ILE 34 5.165 5.312 -0.413 245 HG21 ILE 34 1HG2 ILE 34 3.939 4.922 2.870 246 HG22 ILE 34 2HG2 ILE 34 5.019 6.014 3.736 247 HG23 ILE 34 3HG2 ILE 34 3.680 6.665 2.792 248 HD11 ILE 34 3HD1 ILE 34 5.401 3.257 1.766 249 HD12 ILE 34 1HD1 ILE 34 5.061 2.875 0.078 250 HD13 ILE 34 2HD1 ILE 34 6.586 3.647 0.519 251 H HIS 35 H HIS 35 4.563 7.201 -1.385 252 HA HIS 35 HA HIS 35 7.222 6.870 -2.496 253 HB2 HIS 35 1HB HIS 35 4.474 6.855 -3.753 254 HB3 HIS 35 2HB HIS 35 5.965 6.637 -4.665 255 HD1 HIS 35 HD1 HIS 35 6.960 4.330 -4.704 256 HD2 HIS 35 HD2 HIS 35 3.921 4.716 -1.897 257 HE1 HIS 35 HE1 HIS 35 6.516 1.999 -3.870 258 H THR 36 H THR 36 4.653 9.269 -2.441 259 HA THR 36 HA THR 36 6.216 11.057 -4.149 260 HB THR 36 HB THR 36 3.844 10.875 -4.681 261 HG1 THR 36 HG1 THR 36 4.735 13.346 -3.600 262 HG21 THR 36 3HG2 THR 36 2.490 12.249 -2.714 263 HG22 THR 36 1HG2 THR 36 3.568 11.200 -1.794 264 HG23 THR 36 2HG2 THR 36 2.448 10.504 -2.966 265 H GLY 37 H GLY 37 7.406 10.575 -1.700 266 HA2 GLY 37 1HA GLY 37 6.960 13.134 -0.287 267 HA3 GLY 37 2HA GLY 37 7.409 11.651 0.542 268 H GLU 38 H GLU 38 8.556 14.508 -0.698 269 HA GLU 38 HA GLU 38 11.309 13.581 -0.425 270 HB2 GLU 38 1HB GLU 38 10.481 13.613 -2.899 271 HB3 GLU 38 2HB GLU 38 10.638 15.358 -2.745 272 HG2 GLU 38 1HG GLU 38 12.666 14.718 -3.648 273 HG3 GLU 38 2HG GLU 38 13.021 14.865 -1.928 274 H LYS 39 H LYS 39 12.671 15.078 0.439 275 HA LYS 39 HA LYS 39 11.556 17.761 0.936 276 HB2 LYS 39 1HB LYS 39 12.810 17.734 3.092 277 HB3 LYS 39 2HB LYS 39 11.516 16.546 3.011 278 HG2 LYS 39 1HG LYS 39 14.247 15.687 2.229 279 HG3 LYS 39 2HG LYS 39 13.907 15.942 3.942 280 HD2 LYS 39 1HD LYS 39 12.113 14.268 2.210 281 HD3 LYS 39 2HD LYS 39 13.546 13.590 2.986 282 HE2 LYS 39 1HE LYS 39 12.703 14.005 5.141 283 HE3 LYS 39 2HE LYS 39 11.466 15.105 4.536 284 HZ1 LYS 39 3HZ LYS 39 11.414 12.319 3.631 285 HZ2 LYS 39 1HZ LYS 39 10.133 13.397 3.877 286 HZ3 LYS 39 2HZ LYS 39 10.884 12.660 5.201 287 HA PRO 40 HA PRO 40 15.190 19.334 -0.990 288 HB2 PRO 40 1HB PRO 40 15.196 21.827 0.085 289 HB3 PRO 40 2HB PRO 40 14.053 21.323 -1.166 290 HG2 PRO 40 1HG PRO 40 13.659 21.510 1.796 291 HG3 PRO 40 2HG PRO 40 12.568 22.006 0.488 292 HD2 PRO 40 1HD PRO 40 12.253 19.685 1.847 293 HD3 PRO 40 2HD PRO 40 11.810 19.858 0.137 294 H SER 41 H SER 41 14.851 19.029 2.419 295 HA SER 41 HA SER 41 17.706 19.607 2.824 296 HB2 SER 41 1HB SER 41 15.901 20.787 4.224 297 HB3 SER 41 2HB SER 41 15.678 19.231 5.023 298 HG SER 41 HG SER 41 17.810 19.305 5.702 299 H GLY 42 H GLY 42 19.090 18.036 3.416 300 HA2 GLY 42 1HA GLY 42 19.793 15.999 4.319 301 HA3 GLY 42 2HA GLY 42 18.110 15.543 4.539 302 HA PRO 43 HA PRO 43 20.140 13.823 0.517 303 HB2 PRO 43 1HB PRO 43 21.296 11.540 1.424 304 HB3 PRO 43 2HB PRO 43 22.166 13.074 1.300 305 HG2 PRO 43 1HG PRO 43 20.913 11.795 3.700 306 HG3 PRO 43 2HG PRO 43 22.482 12.610 3.557 307 HD2 PRO 43 1HD PRO 43 20.302 13.821 4.612 308 HD3 PRO 43 2HD PRO 43 21.546 14.711 3.711 309 H SER 44 H SER 44 19.885 11.302 -0.135 310 HA SER 44 HA SER 44 17.244 10.460 0.868 311 HB2 SER 44 1HB SER 44 16.930 11.322 -1.350 312 HB3 SER 44 2HB SER 44 18.315 10.417 -1.960 313 HG SER 44 HG SER 44 17.177 8.535 -1.741 314 H SER 45 H SER 45 19.868 9.132 -1.153 315 HA SER 45 HA SER 45 19.476 6.518 0.054 316 HB2 SER 45 1HB SER 45 20.980 5.693 -1.650 317 HB3 SER 45 2HB SER 45 19.827 6.789 -2.410 318 HG SER 45 HG SER 45 22.561 7.072 -2.013 319 H GLY 46 H GLY 46 21.517 5.253 0.607 320 HA2 GLY 46 1HA GLY 46 23.784 6.738 1.556 321 HA3 GLY 46 2HA GLY 46 22.721 6.230 2.860 Start of MODEL 16 1 H1 GLY 1 H GLY 1 4.474 -31.473 0.696 2 HA2 GLY 1 1HA GLY 1 4.609 -29.851 2.654 3 HA3 GLY 1 2HA GLY 1 3.622 -29.306 1.306 4 H SER 2 H SER 2 3.553 -28.927 4.335 5 HA SER 2 HA SER 2 0.811 -29.869 4.819 6 HB2 SER 2 1HB SER 2 3.013 -29.017 6.702 7 HB3 SER 2 2HB SER 2 1.344 -29.237 7.230 8 HG SER 2 HG SER 2 2.149 -31.201 7.537 9 H SER 3 H SER 3 2.873 -27.009 5.333 10 HA SER 3 HA SER 3 0.621 -25.300 5.830 11 HB2 SER 3 1HB SER 3 2.995 -25.014 6.752 12 HB3 SER 3 2HB SER 3 3.415 -24.380 5.161 13 HG SER 3 HG SER 3 1.163 -23.315 6.405 14 H GLY 4 H GLY 4 -0.176 -23.642 4.515 15 HA2 GLY 4 1HA GLY 4 0.815 -23.323 1.816 16 HA3 GLY 4 2HA GLY 4 -0.747 -24.123 1.920 17 H SER 5 H SER 5 0.803 -21.315 3.486 18 HA SER 5 HA SER 5 -1.665 -19.798 2.949 19 HB2 SER 5 1HB SER 5 -0.930 -18.344 4.862 20 HB3 SER 5 2HB SER 5 -1.306 -20.005 5.322 21 HG SER 5 HG SER 5 0.647 -19.324 6.261 22 H SER 6 H SER 6 -0.986 -19.164 0.863 23 HA SER 6 HA SER 6 1.019 -17.016 0.903 24 HB2 SER 6 1HB SER 6 0.782 -19.207 -1.170 25 HB3 SER 6 2HB SER 6 1.750 -17.749 -1.384 26 HG SER 6 HG SER 6 3.237 -18.593 -0.169 27 H GLY 7 H GLY 7 -0.359 -15.320 0.754 28 HA2 GLY 7 1HA GLY 7 -1.718 -13.789 -0.294 29 HA3 GLY 7 2HA GLY 7 -1.531 -14.734 -1.764 30 H SER 8 H SER 8 -3.591 -13.905 0.826 31 HA SER 8 HA SER 8 -5.549 -15.937 -0.017 32 HB2 SER 8 1HB SER 8 -6.609 -15.659 2.163 33 HB3 SER 8 2HB SER 8 -4.899 -16.034 2.374 34 HG SER 8 HG SER 8 -5.716 -14.269 3.690 35 H GLY 9 H GLY 9 -6.678 -14.988 -1.631 36 HA2 GLY 9 1HA GLY 9 -8.281 -13.636 -2.576 37 HA3 GLY 9 2HA GLY 9 -8.566 -12.968 -0.975 38 H GLU 10 H GLU 10 -7.336 -12.375 -4.056 39 HA GLU 10 HA GLU 10 -5.368 -10.432 -3.497 40 HB2 GLU 10 1HB GLU 10 -7.078 -11.036 -5.890 41 HB3 GLU 10 2HB GLU 10 -6.035 -9.621 -5.873 42 HG2 GLU 10 1HG GLU 10 -5.037 -12.405 -5.351 43 HG3 GLU 10 2HG GLU 10 -5.081 -11.673 -6.954 44 H LYS 11 H LYS 11 -5.600 -8.516 -2.578 45 HA LYS 11 HA LYS 11 -8.079 -7.372 -1.919 46 HB2 LYS 11 1HB LYS 11 -5.402 -5.979 -2.097 47 HB3 LYS 11 2HB LYS 11 -6.802 -5.435 -1.183 48 HG2 LYS 11 1HG LYS 11 -4.984 -7.748 -0.631 49 HG3 LYS 11 2HG LYS 11 -5.403 -6.388 0.414 50 HD2 LYS 11 1HD LYS 11 -7.335 -8.533 -0.466 51 HD3 LYS 11 2HD LYS 11 -6.483 -8.524 1.080 52 HE2 LYS 11 1HE LYS 11 -7.541 -6.392 1.647 53 HE3 LYS 11 2HE LYS 11 -8.384 -6.395 0.099 54 HZ1 LYS 11 3HZ LYS 11 -8.791 -8.188 2.413 55 HZ2 LYS 11 1HZ LYS 11 -9.329 -8.612 0.866 56 HZ3 LYS 11 2HZ LYS 11 -9.926 -7.219 1.617 57 HA PRO 12 HA PRO 12 -9.284 -5.195 -5.541 58 HB2 PRO 12 1HB PRO 12 -10.661 -3.136 -4.431 59 HB3 PRO 12 2HB PRO 12 -11.277 -4.792 -4.472 60 HG2 PRO 12 1HG PRO 12 -9.932 -3.327 -2.235 61 HG3 PRO 12 2HG PRO 12 -11.351 -4.389 -2.183 62 HD2 PRO 12 1HD PRO 12 -8.879 -5.225 -1.462 63 HD3 PRO 12 2HD PRO 12 -10.073 -6.307 -2.207 64 H PHE 13 H PHE 13 -7.747 -3.349 -2.949 65 HA PHE 13 HA PHE 13 -6.862 -1.344 -4.899 66 HB2 PHE 13 1HB PHE 13 -6.854 -1.319 -1.876 67 HB3 PHE 13 2HB PHE 13 -6.184 -0.035 -2.877 68 HD1 PHE 13 HD1 PHE 13 -7.694 1.288 -4.346 69 HD2 PHE 13 HD2 PHE 13 -9.170 -1.476 -1.466 70 HE1 PHE 13 HE1 PHE 13 -9.909 2.353 -4.464 71 HE2 PHE 13 HE2 PHE 13 -11.387 -0.417 -1.580 72 HZ PHE 13 HZ PHE 13 -11.760 1.500 -3.081 73 H LYS 14 H LYS 14 -4.925 -1.606 -5.766 74 HA LYS 14 HA LYS 14 -2.829 -2.921 -4.163 75 HB2 LYS 14 1HB LYS 14 -3.673 -4.213 -6.165 76 HB3 LYS 14 2HB LYS 14 -3.016 -2.934 -7.177 77 HG2 LYS 14 1HG LYS 14 -1.281 -4.401 -7.231 78 HG3 LYS 14 2HG LYS 14 -0.820 -3.454 -5.814 79 HD2 LYS 14 1HD LYS 14 -1.315 -5.142 -4.355 80 HD3 LYS 14 2HD LYS 14 -2.568 -5.822 -5.397 81 HE2 LYS 14 1HE LYS 14 -0.588 -7.279 -5.217 82 HE3 LYS 14 2HE LYS 14 -0.891 -6.748 -6.871 83 HZ1 LYS 14 3HZ LYS 14 0.900 -5.073 -5.320 84 HZ2 LYS 14 1HZ LYS 14 1.006 -5.571 -6.933 85 HZ3 LYS 14 2HZ LYS 14 1.489 -6.614 -5.693 86 H CYS 15 H CYS 15 -0.790 -2.030 -4.151 87 HA CYS 15 HA CYS 15 -0.639 0.767 -4.821 88 HB2 CYS 15 1HB CYS 15 0.344 -0.236 -2.736 89 HB3 CYS 15 2HB CYS 15 1.555 -1.015 -3.750 90 H LYS 16 H LYS 16 0.160 1.620 -6.621 91 HA LYS 16 HA LYS 16 1.380 -0.132 -8.599 92 HB2 LYS 16 1HB LYS 16 -0.460 1.743 -8.942 93 HB3 LYS 16 2HB LYS 16 0.952 2.783 -9.081 94 HG2 LYS 16 1HG LYS 16 1.795 1.135 -10.827 95 HG3 LYS 16 2HG LYS 16 0.159 0.472 -10.821 96 HD2 LYS 16 1HD LYS 16 0.188 2.041 -12.576 97 HD3 LYS 16 2HD LYS 16 -0.639 2.851 -11.244 98 HE2 LYS 16 1HE LYS 16 1.250 4.167 -10.740 99 HE3 LYS 16 2HE LYS 16 2.312 3.160 -11.723 100 HZ1 LYS 16 3HZ LYS 16 0.812 5.429 -12.488 101 HZ2 LYS 16 1HZ LYS 16 0.328 4.096 -13.412 102 HZ3 LYS 16 2HZ LYS 16 1.954 4.560 -13.383 103 H GLU 17 H GLU 17 2.791 0.799 -6.123 104 HA GLU 17 HA GLU 17 5.101 2.053 -7.455 105 HB2 GLU 17 1HB GLU 17 3.961 2.500 -4.711 106 HB3 GLU 17 2HB GLU 17 5.651 2.844 -5.051 107 HG2 GLU 17 1HG GLU 17 3.377 4.025 -6.619 108 HG3 GLU 17 2HG GLU 17 4.093 4.798 -5.206 109 H CYS 18 H CYS 18 4.122 -0.052 -4.762 110 HA CYS 18 HA CYS 18 6.659 -1.512 -5.106 111 HB2 CYS 18 1HB CYS 18 6.497 -2.079 -2.677 112 HB3 CYS 18 2HB CYS 18 6.737 -0.363 -2.990 113 H GLY 19 H GLY 19 3.263 -1.767 -4.099 114 HA2 GLY 19 1HA GLY 19 2.196 -3.690 -5.455 115 HA3 GLY 19 2HA GLY 19 3.381 -4.664 -4.597 116 H LYS 20 H LYS 20 2.876 -2.608 -2.301 117 HA LYS 20 HA LYS 20 1.472 -4.144 -0.573 118 HB2 LYS 20 1HB LYS 20 2.561 -1.724 -0.362 119 HB3 LYS 20 2HB LYS 20 0.878 -1.226 -0.470 120 HG2 LYS 20 1HG LYS 20 0.348 -2.078 1.563 121 HG3 LYS 20 2HG LYS 20 1.528 -3.385 1.447 122 HD2 LYS 20 1HD LYS 20 2.098 -0.480 2.028 123 HD3 LYS 20 2HD LYS 20 2.214 -1.827 3.162 124 HE2 LYS 20 1HE LYS 20 3.873 -2.786 1.376 125 HE3 LYS 20 2HE LYS 20 3.998 -1.098 0.882 126 HZ1 LYS 20 3HZ LYS 20 5.282 -0.653 2.619 127 HZ2 LYS 20 1HZ LYS 20 5.371 -2.315 2.922 128 HZ3 LYS 20 2HZ LYS 20 4.206 -1.374 3.707 129 H ALA 21 H ALA 21 -0.650 -4.464 0.040 130 HA ALA 21 HA ALA 21 -2.659 -3.641 -1.947 131 HB1 ALA 21 3HB ALA 21 -3.940 -5.589 -0.691 132 HB2 ALA 21 1HB ALA 21 -2.798 -5.913 -1.996 133 HB3 ALA 21 2HB ALA 21 -2.293 -6.094 -0.316 134 H PHE 22 H PHE 22 -4.943 -3.538 -0.976 135 HA PHE 22 HA PHE 22 -5.145 -2.693 1.762 136 HB2 PHE 22 1HB PHE 22 -5.870 -0.578 -0.240 137 HB3 PHE 22 2HB PHE 22 -5.556 -0.412 1.484 138 HD1 PHE 22 HD1 PHE 22 -3.879 -1.221 -1.731 139 HD2 PHE 22 HD2 PHE 22 -3.479 0.297 2.225 140 HE1 PHE 22 HE1 PHE 22 -1.561 -0.559 -2.223 141 HE2 PHE 22 HE2 PHE 22 -1.161 0.962 1.739 142 HZ PHE 22 HZ PHE 22 -0.199 0.536 -0.488 143 H ARG 23 H ARG 23 -7.396 -1.980 2.289 144 HA ARG 23 HA ARG 23 -9.286 -3.541 0.680 145 HB2 ARG 23 1HB ARG 23 -9.800 -2.412 3.425 146 HB3 ARG 23 2HB ARG 23 -10.636 -3.731 2.617 147 HG2 ARG 23 1HG ARG 23 -9.343 -4.918 4.060 148 HG3 ARG 23 2HG ARG 23 -8.243 -4.833 2.683 149 HD2 ARG 23 1HD ARG 23 -6.930 -3.186 3.681 150 HD3 ARG 23 2HD ARG 23 -8.196 -2.736 4.822 151 HE ARG 23 HE ARG 23 -7.386 -5.411 5.253 152 HH11 ARG 23 1HH1 ARG 23 -6.337 -2.124 5.714 153 HH12 ARG 23 2HH1 ARG 23 -5.353 -2.493 7.092 154 HH21 ARG 23 1HH2 ARG 23 -6.094 -5.910 7.066 155 HH22 ARG 23 2HH2 ARG 23 -5.215 -4.647 7.859 156 H GLN 24 H GLN 24 -8.812 -0.349 2.109 157 HA GLN 24 HA GLN 24 -11.158 0.625 0.628 158 HB2 GLN 24 1HB GLN 24 -9.851 1.442 3.170 159 HB3 GLN 24 2HB GLN 24 -10.575 2.711 2.192 160 HG2 GLN 24 1HG GLN 24 -12.301 2.138 3.593 161 HG3 GLN 24 2HG GLN 24 -12.650 1.164 2.165 162 HE21 GLN 24 1HE2 GLN 24 -11.902 1.157 5.494 163 HE22 GLN 24 2HE2 GLN 24 -11.898 -0.554 5.727 164 H ASN 25 H ASN 25 -10.979 2.785 -0.348 165 HA ASN 25 HA ASN 25 -8.639 2.962 -1.973 166 HB2 ASN 25 1HB ASN 25 -10.583 3.629 -3.081 167 HB3 ASN 25 2HB ASN 25 -11.156 4.576 -1.711 168 HD21 ASN 25 1HD2 ASN 25 -9.046 4.496 -4.463 169 HD22 ASN 25 2HD2 ASN 25 -8.683 6.185 -4.491 170 H ILE 26 H ILE 26 -9.861 4.698 0.827 171 HA ILE 26 HA ILE 26 -8.102 6.882 0.775 172 HB ILE 26 HB ILE 26 -10.021 6.908 2.234 173 HG12 ILE 26 1HG1 ILE 26 -7.586 6.820 4.015 174 HG13 ILE 26 2HG1 ILE 26 -7.878 8.124 2.870 175 HG21 ILE 26 1HG2 ILE 26 -9.992 5.486 4.319 176 HG22 ILE 26 2HG2 ILE 26 -10.299 4.631 2.808 177 HG23 ILE 26 3HG2 ILE 26 -8.705 4.551 3.559 178 HD11 ILE 26 3HD1 ILE 26 -9.147 9.147 4.356 179 HD12 ILE 26 1HD1 ILE 26 -10.230 7.756 4.410 180 HD13 ILE 26 2HD1 ILE 26 -8.850 7.842 5.505 181 H HIS 27 H HIS 27 -7.727 3.611 1.997 182 HA HIS 27 HA HIS 27 -5.352 4.024 3.465 183 HB2 HIS 27 1HB HIS 27 -6.777 1.660 2.344 184 HB3 HIS 27 2HB HIS 27 -5.096 1.451 2.826 185 HD1 HIS 27 HD1 HIS 27 -4.712 0.956 5.227 186 HD2 HIS 27 HD2 HIS 27 -8.435 2.678 4.565 187 HE1 HIS 27 HE1 HIS 27 -5.883 0.902 7.452 188 H LEU 28 H LEU 28 -5.867 2.793 0.162 189 HA LEU 28 HA LEU 28 -3.175 2.474 -0.516 190 HB2 LEU 28 1HB LEU 28 -4.820 1.481 -1.895 191 HB3 LEU 28 2HB LEU 28 -5.622 3.026 -2.172 192 HG LEU 28 HG LEU 28 -3.632 3.753 -3.482 193 HD11 LEU 28 1HD1 LEU 28 -1.987 2.155 -4.172 194 HD12 LEU 28 2HD1 LEU 28 -2.811 0.859 -3.306 195 HD13 LEU 28 3HD1 LEU 28 -2.043 2.169 -2.409 196 HD21 LEU 28 3HD2 LEU 28 -5.574 2.945 -4.644 197 HD22 LEU 28 1HD2 LEU 28 -5.083 1.271 -4.390 198 HD23 LEU 28 2HD2 LEU 28 -4.132 2.318 -5.444 199 H ALA 29 H ALA 29 -5.345 5.183 -1.349 200 HA ALA 29 HA ALA 29 -3.450 6.833 -2.529 201 HB1 ALA 29 3HB ALA 29 -5.878 7.657 -0.941 202 HB2 ALA 29 1HB ALA 29 -4.986 8.678 -2.069 203 HB3 ALA 29 2HB ALA 29 -5.847 7.255 -2.658 204 H SER 30 H SER 30 -4.178 6.301 0.858 205 HA SER 30 HA SER 30 -2.632 8.514 1.813 206 HB2 SER 30 1HB SER 30 -4.493 7.564 3.125 207 HB3 SER 30 2HB SER 30 -3.601 6.052 3.288 208 HG SER 30 HG SER 30 -2.338 8.415 4.076 209 H HIS 31 H HIS 31 -1.930 5.316 0.790 210 HA HIS 31 HA HIS 31 0.623 5.222 2.189 211 HB2 HIS 31 1HB HIS 31 -0.416 3.114 2.155 212 HB3 HIS 31 2HB HIS 31 -0.893 3.276 0.468 213 HD1 HIS 31 HD1 HIS 31 2.163 2.631 2.591 214 HD2 HIS 31 HD2 HIS 31 0.904 2.281 -1.352 215 HE1 HIS 31 HE1 HIS 31 3.983 1.354 1.416 216 H LEU 32 H LEU 32 -0.499 5.001 -1.191 217 HA LEU 32 HA LEU 32 1.784 4.970 -2.597 218 HB2 LEU 32 1HB LEU 32 -0.584 6.761 -3.110 219 HB3 LEU 32 2HB LEU 32 0.686 6.431 -4.287 220 HG LEU 32 HG LEU 32 -1.021 4.257 -3.099 221 HD11 LEU 32 1HD1 LEU 32 -1.566 6.093 -5.394 222 HD12 LEU 32 2HD1 LEU 32 -2.657 5.521 -4.133 223 HD13 LEU 32 3HD1 LEU 32 -2.152 4.430 -5.423 224 HD21 LEU 32 3HD2 LEU 32 0.149 4.101 -5.804 225 HD22 LEU 32 1HD2 LEU 32 -0.015 2.861 -4.562 226 HD23 LEU 32 2HD2 LEU 32 1.285 4.047 -4.456 227 H ARG 33 H ARG 33 0.459 7.827 -0.987 228 HA ARG 33 HA ARG 33 2.163 9.782 -1.913 229 HB2 ARG 33 1HB ARG 33 1.855 10.815 0.408 230 HB3 ARG 33 2HB ARG 33 0.403 10.488 -0.527 231 HG2 ARG 33 1HG ARG 33 0.042 8.435 0.749 232 HG3 ARG 33 2HG ARG 33 1.497 8.770 1.690 233 HD2 ARG 33 1HD ARG 33 -0.320 9.510 3.007 234 HD3 ARG 33 2HD ARG 33 0.422 10.962 2.335 235 HE ARG 33 HE ARG 33 -1.706 10.014 0.698 236 HH11 ARG 33 1HH1 ARG 33 -1.003 11.775 3.618 237 HH12 ARG 33 2HH1 ARG 33 -2.474 12.689 3.576 238 HH21 ARG 33 1HH2 ARG 33 -3.646 11.211 0.632 239 HH22 ARG 33 2HH2 ARG 33 -3.977 12.367 1.877 240 H ILE 34 H ILE 34 2.698 7.524 0.772 241 HA ILE 34 HA ILE 34 5.053 8.432 1.809 242 HB ILE 34 HB ILE 34 5.484 6.285 2.634 243 HG12 ILE 34 1HG1 ILE 34 4.212 4.289 1.476 244 HG13 ILE 34 2HG1 ILE 34 4.218 5.363 0.082 245 HG21 ILE 34 1HG2 ILE 34 2.882 7.288 2.656 246 HG22 ILE 34 2HG2 ILE 34 2.708 5.558 2.363 247 HG23 ILE 34 3HG2 ILE 34 3.587 6.128 3.782 248 HD11 ILE 34 3HD1 ILE 34 6.815 5.118 1.387 249 HD12 ILE 34 1HD1 ILE 34 6.190 3.604 0.734 250 HD13 ILE 34 2HD1 ILE 34 6.381 5.006 -0.319 251 H HIS 35 H HIS 35 4.529 7.076 -1.325 252 HA HIS 35 HA HIS 35 7.333 6.548 -1.818 253 HB2 HIS 35 1HB HIS 35 4.876 6.413 -3.568 254 HB3 HIS 35 2HB HIS 35 6.500 6.092 -4.170 255 HD1 HIS 35 HD1 HIS 35 7.777 4.105 -2.695 256 HD2 HIS 35 HD2 HIS 35 3.623 4.188 -2.694 257 HE1 HIS 35 HE1 HIS 35 7.059 1.806 -1.971 258 H THR 36 H THR 36 4.944 9.004 -2.608 259 HA THR 36 HA THR 36 6.945 10.506 -4.133 260 HB THR 36 HB THR 36 4.659 10.190 -5.102 261 HG1 THR 36 HG1 THR 36 5.308 11.951 -6.072 262 HG21 THR 36 3HG2 THR 36 3.769 10.822 -2.584 263 HG22 THR 36 1HG2 THR 36 2.777 10.801 -4.041 264 HG23 THR 36 2HG2 THR 36 3.481 12.316 -3.476 265 H GLY 37 H GLY 37 7.226 10.268 -1.284 266 HA2 GLY 37 1HA GLY 37 6.236 12.378 0.215 267 HA3 GLY 37 2HA GLY 37 7.798 11.618 0.484 268 H GLU 38 H GLU 38 7.388 14.304 1.005 269 HA GLU 38 HA GLU 38 8.848 15.618 -1.191 270 HB2 GLU 38 1HB GLU 38 6.940 16.751 0.853 271 HB3 GLU 38 2HB GLU 38 7.981 17.759 -0.142 272 HG2 GLU 38 1HG GLU 38 6.932 16.800 -2.156 273 HG3 GLU 38 2HG GLU 38 5.841 15.884 -1.119 274 H LYS 39 H LYS 39 10.052 17.662 -0.210 275 HA LYS 39 HA LYS 39 12.290 16.817 1.103 276 HB2 LYS 39 1HB LYS 39 12.252 18.974 0.058 277 HB3 LYS 39 2HB LYS 39 10.983 19.538 1.137 278 HG2 LYS 39 1HG LYS 39 12.742 19.049 3.000 279 HG3 LYS 39 2HG LYS 39 13.892 19.162 1.665 280 HD2 LYS 39 1HD LYS 39 13.478 21.393 1.317 281 HD3 LYS 39 2HD LYS 39 11.837 21.298 1.961 282 HE2 LYS 39 1HE LYS 39 13.106 22.523 3.540 283 HE3 LYS 39 2HE LYS 39 12.876 20.916 4.227 284 HZ1 LYS 39 3HZ LYS 39 15.300 21.513 2.666 285 HZ2 LYS 39 1HZ LYS 39 15.068 20.357 3.880 286 HZ3 LYS 39 2HZ LYS 39 15.202 21.994 4.285 287 HA PRO 40 HA PRO 40 10.561 15.896 5.141 288 HB2 PRO 40 1HB PRO 40 12.820 14.740 6.105 289 HB3 PRO 40 2HB PRO 40 11.696 13.902 5.027 290 HG2 PRO 40 1HG PRO 40 14.284 15.262 4.380 291 HG3 PRO 40 2HG PRO 40 13.660 13.709 3.796 292 HD2 PRO 40 1HD PRO 40 13.534 15.977 2.321 293 HD3 PRO 40 2HD PRO 40 12.301 14.704 2.222 294 H SER 41 H SER 41 11.184 16.419 7.376 295 HA SER 41 HA SER 41 12.169 19.094 7.560 296 HB2 SER 41 1HB SER 41 10.428 18.509 9.070 297 HB3 SER 41 2HB SER 41 11.288 17.072 9.622 298 HG SER 41 HG SER 41 11.324 19.379 10.766 299 H GLY 42 H GLY 42 13.311 16.015 8.964 300 HA2 GLY 42 1HA GLY 42 16.061 16.801 8.533 301 HA3 GLY 42 2HA GLY 42 15.582 16.755 10.223 302 HA PRO 43 HA PRO 43 16.712 12.505 10.235 303 HB2 PRO 43 1HB PRO 43 15.375 11.728 12.467 304 HB3 PRO 43 2HB PRO 43 16.847 12.706 12.520 305 HG2 PRO 43 1HG PRO 43 13.989 13.570 12.744 306 HG3 PRO 43 2HG PRO 43 15.394 14.095 13.690 307 HD2 PRO 43 1HD PRO 43 14.379 15.562 11.653 308 HD3 PRO 43 2HD PRO 43 16.108 15.554 12.055 309 H SER 44 H SER 44 15.945 10.628 9.414 310 HA SER 44 HA SER 44 13.546 10.507 8.039 311 HB2 SER 44 1HB SER 44 15.611 8.986 7.839 312 HB3 SER 44 2HB SER 44 14.889 8.044 9.143 313 HG SER 44 HG SER 44 14.280 7.240 7.100 314 H SER 45 H SER 45 11.512 9.800 8.472 315 HA SER 45 HA SER 45 10.755 9.641 11.256 316 HB2 SER 45 1HB SER 45 8.435 9.546 10.354 317 HB3 SER 45 2HB SER 45 9.348 10.930 9.753 318 HG SER 45 HG SER 45 8.072 9.391 8.251 319 H GLY 46 H GLY 46 12.372 7.509 10.662 320 HA2 GLY 46 1HA GLY 46 12.466 5.240 11.010 321 HA3 GLY 46 2HA GLY 46 10.777 5.319 11.489 Start of MODEL 17 1 H1 GLY 1 H GLY 1 5.948 -16.635 3.591 2 HA2 GLY 1 1HA GLY 1 5.882 -17.574 6.064 3 HA3 GLY 1 2HA GLY 1 6.056 -15.859 6.404 4 H SER 2 H SER 2 4.055 -18.058 4.440 5 HA SER 2 HA SER 2 1.647 -16.921 5.537 6 HB2 SER 2 1HB SER 2 2.558 -16.274 2.762 7 HB3 SER 2 2HB SER 2 0.835 -16.506 3.057 8 HG SER 2 HG SER 2 1.432 -14.964 4.950 9 H SER 3 H SER 3 0.190 -18.489 5.715 10 HA SER 3 HA SER 3 0.654 -21.005 4.326 11 HB2 SER 3 1HB SER 3 -0.954 -21.955 5.884 12 HB3 SER 3 2HB SER 3 0.217 -20.982 6.775 13 HG SER 3 HG SER 3 -2.117 -19.730 5.899 14 H GLY 4 H GLY 4 -1.488 -18.294 4.243 15 HA2 GLY 4 1HA GLY 4 -2.591 -18.942 1.762 16 HA3 GLY 4 2HA GLY 4 -3.714 -19.503 2.992 17 H SER 5 H SER 5 -5.341 -18.119 3.155 18 HA SER 5 HA SER 5 -4.714 -15.261 3.415 19 HB2 SER 5 1HB SER 5 -5.489 -15.443 1.160 20 HB3 SER 5 2HB SER 5 -6.824 -16.492 1.636 21 HG SER 5 HG SER 5 -7.949 -14.803 2.227 22 H SER 6 H SER 6 -5.251 -14.808 5.448 23 HA SER 6 HA SER 6 -7.403 -16.193 6.788 24 HB2 SER 6 1HB SER 6 -5.671 -13.908 7.763 25 HB3 SER 6 2HB SER 6 -6.731 -14.906 8.758 26 HG SER 6 HG SER 6 -4.648 -16.015 7.203 27 H GLY 7 H GLY 7 -8.515 -14.938 4.678 28 HA2 GLY 7 1HA GLY 7 -10.533 -13.363 5.852 29 HA3 GLY 7 2HA GLY 7 -9.386 -12.301 5.048 30 H SER 8 H SER 8 -12.275 -13.200 4.545 31 HA SER 8 HA SER 8 -12.100 -14.476 1.955 32 HB2 SER 8 1HB SER 8 -13.970 -14.858 3.641 33 HB3 SER 8 2HB SER 8 -14.563 -13.255 3.206 34 HG SER 8 HG SER 8 -15.546 -14.953 1.988 35 H GLY 9 H GLY 9 -11.657 -13.387 0.164 36 HA2 GLY 9 1HA GLY 9 -12.366 -11.736 -1.451 37 HA3 GLY 9 2HA GLY 9 -12.724 -10.653 -0.113 38 H GLU 10 H GLU 10 -10.639 -11.154 -2.571 39 HA GLU 10 HA GLU 10 -8.174 -10.471 -1.242 40 HB2 GLU 10 1HB GLU 10 -7.169 -10.534 -3.411 41 HB3 GLU 10 2HB GLU 10 -8.293 -11.882 -3.309 42 HG2 GLU 10 1HG GLU 10 -9.860 -10.820 -4.703 43 HG3 GLU 10 2HG GLU 10 -9.046 -9.263 -4.561 44 H LYS 11 H LYS 11 -7.167 -8.511 -1.172 45 HA LYS 11 HA LYS 11 -8.732 -6.183 -1.213 46 HB2 LYS 11 1HB LYS 11 -5.795 -6.731 -1.021 47 HB3 LYS 11 2HB LYS 11 -6.350 -5.075 -1.234 48 HG2 LYS 11 1HG LYS 11 -7.306 -4.978 0.840 49 HG3 LYS 11 2HG LYS 11 -7.582 -6.720 0.915 50 HD2 LYS 11 1HD LYS 11 -4.772 -5.753 0.841 51 HD3 LYS 11 2HD LYS 11 -5.682 -5.539 2.338 52 HE2 LYS 11 1HE LYS 11 -4.628 -7.616 2.581 53 HE3 LYS 11 2HE LYS 11 -6.283 -8.011 2.118 54 HZ1 LYS 11 3HZ LYS 11 -3.990 -7.896 0.235 55 HZ2 LYS 11 1HZ LYS 11 -5.567 -8.391 -0.126 56 HZ3 LYS 11 2HZ LYS 11 -4.607 -9.318 0.913 57 HA PRO 12 HA PRO 12 -8.727 -5.472 -5.617 58 HB2 PRO 12 1HB PRO 12 -10.190 -3.187 -5.520 59 HB3 PRO 12 2HB PRO 12 -10.907 -4.794 -5.356 60 HG2 PRO 12 1HG PRO 12 -10.177 -2.820 -3.227 61 HG3 PRO 12 2HG PRO 12 -11.632 -3.823 -3.372 62 HD2 PRO 12 1HD PRO 12 -9.575 -4.469 -1.734 63 HD3 PRO 12 2HD PRO 12 -10.579 -5.694 -2.536 64 H PHE 13 H PHE 13 -8.022 -2.921 -3.248 65 HA PHE 13 HA PHE 13 -6.596 -1.316 -5.164 66 HB2 PHE 13 1HB PHE 13 -6.630 -1.065 -2.150 67 HB3 PHE 13 2HB PHE 13 -6.140 0.170 -3.305 68 HD1 PHE 13 HD1 PHE 13 -7.887 1.095 -4.883 69 HD2 PHE 13 HD2 PHE 13 -8.855 -1.270 -1.479 70 HE1 PHE 13 HE1 PHE 13 -10.195 1.946 -4.953 71 HE2 PHE 13 HE2 PHE 13 -11.165 -0.424 -1.544 72 HZ PHE 13 HZ PHE 13 -11.837 1.185 -3.283 73 H LYS 14 H LYS 14 -4.543 -1.531 -5.739 74 HA LYS 14 HA LYS 14 -2.626 -2.698 -3.862 75 HB2 LYS 14 1HB LYS 14 -3.329 -4.580 -5.217 76 HB3 LYS 14 2HB LYS 14 -3.065 -3.662 -6.693 77 HG2 LYS 14 1HG LYS 14 -0.742 -3.758 -6.477 78 HG3 LYS 14 2HG LYS 14 -0.830 -4.210 -4.773 79 HD2 LYS 14 1HD LYS 14 -0.319 -6.231 -5.761 80 HD3 LYS 14 2HD LYS 14 -2.081 -6.311 -5.690 81 HE2 LYS 14 1HE LYS 14 -0.655 -5.235 -8.101 82 HE3 LYS 14 2HE LYS 14 -0.918 -6.965 -7.887 83 HZ1 LYS 14 3HZ LYS 14 -3.295 -5.438 -7.441 84 HZ2 LYS 14 1HZ LYS 14 -3.041 -6.762 -8.464 85 HZ3 LYS 14 2HZ LYS 14 -2.673 -5.199 -8.996 86 H CYS 15 H CYS 15 -1.070 -1.241 -3.650 87 HA CYS 15 HA CYS 15 -0.619 0.994 -5.160 88 HB2 CYS 15 1HB CYS 15 0.419 0.505 -2.949 89 HB3 CYS 15 2HB CYS 15 1.532 -0.598 -3.751 90 H LYS 16 H LYS 16 0.378 1.502 -7.024 91 HA LYS 16 HA LYS 16 1.351 -0.708 -8.668 92 HB2 LYS 16 1HB LYS 16 0.728 2.160 -9.397 93 HB3 LYS 16 2HB LYS 16 1.206 0.904 -10.532 94 HG2 LYS 16 1HG LYS 16 -1.234 0.659 -8.800 95 HG3 LYS 16 2HG LYS 16 -1.264 1.438 -10.384 96 HD2 LYS 16 1HD LYS 16 -0.338 -0.654 -11.362 97 HD3 LYS 16 2HD LYS 16 -0.492 -1.415 -9.777 98 HE2 LYS 16 1HE LYS 16 -2.465 -2.068 -10.736 99 HE3 LYS 16 2HE LYS 16 -2.972 -0.560 -9.976 100 HZ1 LYS 16 3HZ LYS 16 -3.767 -0.707 -12.247 101 HZ2 LYS 16 1HZ LYS 16 -2.186 -0.885 -12.822 102 HZ3 LYS 16 2HZ LYS 16 -2.663 0.565 -12.095 103 H GLU 17 H GLU 17 2.901 0.527 -6.438 104 HA GLU 17 HA GLU 17 5.270 1.293 -8.012 105 HB2 GLU 17 1HB GLU 17 4.217 2.457 -5.450 106 HB3 GLU 17 2HB GLU 17 5.923 2.570 -5.857 107 HG2 GLU 17 1HG GLU 17 3.741 3.532 -7.681 108 HG3 GLU 17 2HG GLU 17 4.503 4.553 -6.463 109 H CYS 18 H CYS 18 4.112 -0.121 -4.972 110 HA CYS 18 HA CYS 18 6.627 -1.647 -4.807 111 HB2 CYS 18 1HB CYS 18 6.121 -1.891 -2.389 112 HB3 CYS 18 2HB CYS 18 6.327 -0.212 -2.877 113 H GLY 19 H GLY 19 3.120 -1.865 -4.259 114 HA2 GLY 19 1HA GLY 19 2.036 -3.807 -5.375 115 HA3 GLY 19 2HA GLY 19 3.345 -4.777 -4.715 116 H LYS 20 H LYS 20 2.159 -2.285 -2.689 117 HA LYS 20 HA LYS 20 1.200 -4.220 -0.785 118 HB2 LYS 20 1HB LYS 20 2.448 -1.941 -0.388 119 HB3 LYS 20 2HB LYS 20 0.823 -1.271 -0.444 120 HG2 LYS 20 1HG LYS 20 1.306 -3.607 1.323 121 HG3 LYS 20 2HG LYS 20 1.940 -2.036 1.819 122 HD2 LYS 20 1HD LYS 20 -0.256 -1.059 1.720 123 HD3 LYS 20 2HD LYS 20 -0.929 -2.539 1.032 124 HE2 LYS 20 1HE LYS 20 0.404 -2.456 3.728 125 HE3 LYS 20 2HE LYS 20 -1.319 -2.153 3.510 126 HZ1 LYS 20 3HZ LYS 20 -1.668 -4.325 2.751 127 HZ2 LYS 20 1HZ LYS 20 -0.634 -4.504 4.078 128 HZ3 LYS 20 2HZ LYS 20 -0.020 -4.615 2.506 129 H ALA 21 H ALA 21 -0.839 -4.838 -0.447 130 HA ALA 21 HA ALA 21 -2.942 -3.620 -2.065 131 HB1 ALA 21 3HB ALA 21 -4.250 -5.585 -1.558 132 HB2 ALA 21 1HB ALA 21 -2.645 -6.069 -2.106 133 HB3 ALA 21 2HB ALA 21 -3.044 -6.124 -0.389 134 H PHE 22 H PHE 22 -4.947 -2.964 -1.182 135 HA PHE 22 HA PHE 22 -4.995 -2.532 1.721 136 HB2 PHE 22 1HB PHE 22 -5.865 -0.388 -0.209 137 HB3 PHE 22 2HB PHE 22 -5.576 -0.246 1.522 138 HD1 PHE 22 HD1 PHE 22 -3.883 -0.830 -1.722 139 HD2 PHE 22 HD2 PHE 22 -3.485 0.391 2.336 140 HE1 PHE 22 HE1 PHE 22 -1.579 -0.093 -2.174 141 HE2 PHE 22 HE2 PHE 22 -1.181 1.131 1.891 142 HZ PHE 22 HZ PHE 22 -0.225 0.891 -0.366 143 H ARG 23 H ARG 23 -7.155 -2.025 2.555 144 HA ARG 23 HA ARG 23 -9.152 -3.635 1.205 145 HB2 ARG 23 1HB ARG 23 -8.933 -2.379 3.921 146 HB3 ARG 23 2HB ARG 23 -10.485 -2.965 3.339 147 HG2 ARG 23 1HG ARG 23 -9.558 -5.197 3.062 148 HG3 ARG 23 2HG ARG 23 -7.981 -4.617 3.603 149 HD2 ARG 23 1HD ARG 23 -8.936 -4.036 5.775 150 HD3 ARG 23 2HD ARG 23 -10.520 -4.590 5.233 151 HE ARG 23 HE ARG 23 -8.285 -6.228 6.055 152 HH11 ARG 23 1HH1 ARG 23 -11.327 -6.096 4.367 153 HH12 ARG 23 2HH1 ARG 23 -11.632 -7.795 4.514 154 HH21 ARG 23 1HH2 ARG 23 -8.675 -8.467 6.256 155 HH22 ARG 23 2HH2 ARG 23 -10.123 -9.142 5.591 156 H GLN 24 H GLN 24 -8.751 -0.279 2.267 157 HA GLN 24 HA GLN 24 -11.050 0.445 0.572 158 HB2 GLN 24 1HB GLN 24 -10.037 1.910 3.014 159 HB3 GLN 24 2HB GLN 24 -11.435 2.353 2.043 160 HG2 GLN 24 1HG GLN 24 -11.172 -0.221 3.580 161 HG3 GLN 24 2HG GLN 24 -12.004 1.219 4.165 162 HE21 GLN 24 1HE2 GLN 24 -13.875 1.940 3.015 163 HE22 GLN 24 2HE2 GLN 24 -14.832 0.814 2.121 164 H ASN 25 H ASN 25 -10.891 2.304 -0.709 165 HA ASN 25 HA ASN 25 -8.435 2.775 -1.930 166 HB2 ASN 25 1HB ASN 25 -9.518 4.639 -3.061 167 HB3 ASN 25 2HB ASN 25 -10.629 3.276 -2.963 168 HD21 ASN 25 1HD2 ASN 25 -10.210 6.542 -2.392 169 HD22 ASN 25 2HD2 ASN 25 -11.621 6.823 -1.435 170 H ILE 26 H ILE 26 -10.018 4.454 0.726 171 HA ILE 26 HA ILE 26 -8.493 6.751 0.892 172 HB ILE 26 HB ILE 26 -10.328 6.597 2.357 173 HG12 ILE 26 1HG1 ILE 26 -7.981 6.194 4.209 174 HG13 ILE 26 2HG1 ILE 26 -8.193 7.661 3.261 175 HG21 ILE 26 1HG2 ILE 26 -10.988 4.597 3.062 176 HG22 ILE 26 2HG2 ILE 26 -9.404 3.901 2.727 177 HG23 ILE 26 3HG2 ILE 26 -9.720 4.665 4.285 178 HD11 ILE 26 3HD1 ILE 26 -9.049 7.484 5.735 179 HD12 ILE 26 1HD1 ILE 26 -9.954 8.378 4.513 180 HD13 ILE 26 2HD1 ILE 26 -10.448 6.744 4.958 181 H HIS 27 H HIS 27 -7.707 3.487 1.927 182 HA HIS 27 HA HIS 27 -5.368 4.164 3.389 183 HB2 HIS 27 1HB HIS 27 -6.208 1.563 2.095 184 HB3 HIS 27 2HB HIS 27 -4.829 1.737 3.177 185 HD1 HIS 27 HD1 HIS 27 -6.290 -0.121 4.544 186 HD2 HIS 27 HD2 HIS 27 -7.748 3.769 4.491 187 HE1 HIS 27 HE1 HIS 27 -7.929 0.009 6.447 188 H LEU 28 H LEU 28 -5.816 2.809 0.122 189 HA LEU 28 HA LEU 28 -3.180 2.691 -0.673 190 HB2 LEU 28 1HB LEU 28 -4.759 1.742 -2.108 191 HB3 LEU 28 2HB LEU 28 -5.717 3.219 -2.176 192 HG LEU 28 HG LEU 28 -3.882 4.263 -3.506 193 HD11 LEU 28 1HD1 LEU 28 -2.148 2.619 -2.662 194 HD12 LEU 28 2HD1 LEU 28 -2.112 2.986 -4.386 195 HD13 LEU 28 3HD1 LEU 28 -2.817 1.471 -3.823 196 HD21 LEU 28 3HD2 LEU 28 -5.401 3.705 -5.048 197 HD22 LEU 28 1HD2 LEU 28 -5.678 2.116 -4.333 198 HD23 LEU 28 2HD2 LEU 28 -4.321 2.364 -5.432 199 H ALA 29 H ALA 29 -5.422 5.419 -1.168 200 HA ALA 29 HA ALA 29 -3.604 7.176 -2.341 201 HB1 ALA 29 3HB ALA 29 -5.675 8.044 -2.555 202 HB2 ALA 29 1HB ALA 29 -6.214 7.425 -0.993 203 HB3 ALA 29 2HB ALA 29 -5.239 8.894 -1.072 204 H SER 30 H SER 30 -4.183 6.405 1.030 205 HA SER 30 HA SER 30 -2.558 8.560 2.029 206 HB2 SER 30 1HB SER 30 -4.534 7.240 3.187 207 HB3 SER 30 2HB SER 30 -3.230 6.167 3.695 208 HG SER 30 HG SER 30 -3.860 8.686 4.556 209 H HIS 31 H HIS 31 -1.956 5.498 0.724 210 HA HIS 31 HA HIS 31 0.568 5.146 2.151 211 HB2 HIS 31 1HB HIS 31 -0.596 3.104 1.912 212 HB3 HIS 31 2HB HIS 31 -0.986 3.428 0.225 213 HD1 HIS 31 HD1 HIS 31 1.684 2.068 2.425 214 HD2 HIS 31 HD2 HIS 31 1.103 2.901 -1.604 215 HE1 HIS 31 HE1 HIS 31 3.564 0.910 1.221 216 H LEU 32 H LEU 32 -0.593 5.451 -1.201 217 HA LEU 32 HA LEU 32 1.740 5.408 -2.599 218 HB2 LEU 32 1HB LEU 32 -0.570 7.303 -2.999 219 HB3 LEU 32 2HB LEU 32 0.691 6.986 -4.189 220 HG LEU 32 HG LEU 32 -1.047 4.776 -3.140 221 HD11 LEU 32 1HD1 LEU 32 -2.501 6.585 -3.994 222 HD12 LEU 32 2HD1 LEU 32 -2.575 5.116 -4.967 223 HD13 LEU 32 3HD1 LEU 32 -1.647 6.504 -5.535 224 HD21 LEU 32 3HD2 LEU 32 0.387 3.635 -4.414 225 HD22 LEU 32 1HD2 LEU 32 1.025 5.102 -5.157 226 HD23 LEU 32 2HD2 LEU 32 -0.441 4.358 -5.795 227 H ARG 33 H ARG 33 0.440 8.134 -0.760 228 HA ARG 33 HA ARG 33 2.168 10.143 -1.497 229 HB2 ARG 33 1HB ARG 33 1.631 11.230 0.542 230 HB3 ARG 33 2HB ARG 33 0.211 10.290 0.102 231 HG2 ARG 33 1HG ARG 33 0.831 8.568 1.700 232 HG3 ARG 33 2HG ARG 33 2.293 9.465 2.115 233 HD2 ARG 33 1HD ARG 33 -0.353 10.821 2.335 234 HD3 ARG 33 2HD ARG 33 0.121 9.665 3.579 235 HE ARG 33 HE ARG 33 2.277 11.256 3.436 236 HH11 ARG 33 1HH1 ARG 33 -1.123 11.952 3.706 237 HH12 ARG 33 2HH1 ARG 33 -0.885 13.425 4.585 238 HH21 ARG 33 1HH2 ARG 33 2.604 13.194 4.594 239 HH22 ARG 33 2HH2 ARG 33 1.235 14.131 5.089 240 H ILE 34 H ILE 34 2.731 7.475 0.728 241 HA ILE 34 HA ILE 34 5.095 8.312 1.917 242 HB ILE 34 HB ILE 34 5.493 6.087 2.534 243 HG12 ILE 34 1HG1 ILE 34 4.062 4.274 1.189 244 HG13 ILE 34 2HG1 ILE 34 4.242 5.464 -0.095 245 HG21 ILE 34 1HG2 ILE 34 3.630 6.020 3.734 246 HG22 ILE 34 2HG2 ILE 34 2.846 7.104 2.586 247 HG23 ILE 34 3HG2 ILE 34 2.756 5.358 2.353 248 HD11 ILE 34 3HD1 ILE 34 6.777 5.111 1.100 249 HD12 ILE 34 1HD1 ILE 34 6.094 3.514 0.798 250 HD13 ILE 34 2HD1 ILE 34 6.254 4.669 -0.525 251 H HIS 35 H HIS 35 4.508 7.154 -1.303 252 HA HIS 35 HA HIS 35 7.254 6.576 -1.907 253 HB2 HIS 35 1HB HIS 35 4.754 6.816 -3.567 254 HB3 HIS 35 2HB HIS 35 6.335 6.601 -4.313 255 HD1 HIS 35 HD1 HIS 35 7.641 4.353 -3.514 256 HD2 HIS 35 HD2 HIS 35 3.551 4.503 -2.800 257 HE1 HIS 35 HE1 HIS 35 6.941 1.972 -3.108 258 H THR 36 H THR 36 5.097 9.318 -2.274 259 HA THR 36 HA THR 36 7.244 10.845 -3.574 260 HB THR 36 HB THR 36 5.063 10.859 -4.724 261 HG1 THR 36 HG1 THR 36 6.418 13.070 -3.848 262 HG21 THR 36 3HG2 THR 36 3.827 10.771 -2.424 263 HG22 THR 36 1HG2 THR 36 3.093 11.623 -3.781 264 HG23 THR 36 2HG2 THR 36 3.926 12.529 -2.518 265 H GLY 37 H GLY 37 8.378 12.267 -2.428 266 HA2 GLY 37 1HA GLY 37 7.166 13.347 0.041 267 HA3 GLY 37 2HA GLY 37 8.839 12.813 -0.017 268 H GLU 38 H GLU 38 9.813 13.867 -2.289 269 HA GLU 38 HA GLU 38 9.338 16.761 -2.009 270 HB2 GLU 38 1HB GLU 38 11.961 15.305 -2.362 271 HB3 GLU 38 2HB GLU 38 11.780 17.044 -2.545 272 HG2 GLU 38 1HG GLU 38 11.226 17.322 -0.264 273 HG3 GLU 38 2HG GLU 38 11.030 15.586 -0.030 274 H LYS 39 H LYS 39 9.388 18.003 -3.863 275 HA LYS 39 HA LYS 39 10.092 16.852 -6.411 276 HB2 LYS 39 1HB LYS 39 7.652 16.157 -5.764 277 HB3 LYS 39 2HB LYS 39 7.262 17.815 -6.200 278 HG2 LYS 39 1HG LYS 39 6.860 16.490 -8.113 279 HG3 LYS 39 2HG LYS 39 8.352 17.383 -8.420 280 HD2 LYS 39 1HD LYS 39 9.495 15.250 -7.443 281 HD3 LYS 39 2HD LYS 39 7.961 14.474 -7.843 282 HE2 LYS 39 1HE LYS 39 8.190 15.181 -10.159 283 HE3 LYS 39 2HE LYS 39 9.689 16.023 -9.772 284 HZ1 LYS 39 3HZ LYS 39 9.236 13.095 -9.575 285 HZ2 LYS 39 1HZ LYS 39 10.668 13.890 -9.154 286 HZ3 LYS 39 2HZ LYS 39 10.146 13.884 -10.763 287 HA PRO 40 HA PRO 40 11.052 21.131 -6.990 288 HB2 PRO 40 1HB PRO 40 11.683 20.993 -9.627 289 HB3 PRO 40 2HB PRO 40 12.752 20.398 -8.351 290 HG2 PRO 40 1HG PRO 40 10.865 18.873 -10.106 291 HG3 PRO 40 2HG PRO 40 12.521 18.464 -9.621 292 HD2 PRO 40 1HD PRO 40 10.345 17.364 -8.443 293 HD3 PRO 40 2HD PRO 40 11.857 17.668 -7.563 294 H SER 41 H SER 41 8.505 19.433 -8.522 295 HA SER 41 HA SER 41 7.507 21.793 -9.915 296 HB2 SER 41 1HB SER 41 5.713 20.239 -10.708 297 HB3 SER 41 2HB SER 41 7.340 19.710 -11.133 298 HG SER 41 HG SER 41 5.784 18.123 -10.160 299 H GLY 42 H GLY 42 6.945 19.930 -7.036 300 HA2 GLY 42 1HA GLY 42 4.351 20.513 -6.362 301 HA3 GLY 42 2HA GLY 42 5.655 20.398 -5.190 302 HA PRO 43 HA PRO 43 5.390 24.669 -4.262 303 HB2 PRO 43 1HB PRO 43 7.980 25.475 -4.146 304 HB3 PRO 43 2HB PRO 43 7.242 24.432 -2.924 305 HG2 PRO 43 1HG PRO 43 8.985 23.692 -5.242 306 HG3 PRO 43 2HG PRO 43 9.029 23.093 -3.573 307 HD2 PRO 43 1HD PRO 43 7.882 21.699 -5.592 308 HD3 PRO 43 2HD PRO 43 7.286 21.626 -3.922 309 H SER 44 H SER 44 6.277 23.683 -7.269 310 HA SER 44 HA SER 44 7.505 25.554 -8.705 311 HB2 SER 44 1HB SER 44 5.886 25.170 -10.551 312 HB3 SER 44 2HB SER 44 6.383 23.671 -9.766 313 HG SER 44 HG SER 44 4.297 23.381 -9.628 314 H SER 45 H SER 45 4.173 25.909 -7.530 315 HA SER 45 HA SER 45 4.149 28.697 -8.402 316 HB2 SER 45 1HB SER 45 1.752 28.633 -7.736 317 HB3 SER 45 2HB SER 45 2.162 27.398 -8.926 318 HG SER 45 HG SER 45 1.724 25.895 -7.514 319 H GLY 46 H GLY 46 5.210 29.990 -7.018 320 HA2 GLY 46 1HA GLY 46 4.941 31.342 -5.036 321 HA3 GLY 46 2HA GLY 46 4.354 29.913 -4.198 Start of MODEL 18 1 H1 GLY 1 H GLY 1 10.400 -30.002 -4.494 2 HA2 GLY 1 1HA GLY 1 10.376 -27.384 -3.505 3 HA3 GLY 1 2HA GLY 1 10.993 -27.325 -5.150 4 H SER 2 H SER 2 9.587 -27.353 -6.806 5 HA SER 2 HA SER 2 7.616 -27.308 -7.940 6 HB2 SER 2 1HB SER 2 7.168 -29.476 -5.935 7 HB3 SER 2 2HB SER 2 5.784 -28.896 -6.861 8 HG SER 2 HG SER 2 7.116 -29.292 -8.764 9 H SER 3 H SER 3 8.050 -25.243 -6.144 10 HA SER 3 HA SER 3 5.296 -24.637 -5.304 11 HB2 SER 3 1HB SER 3 6.968 -25.175 -3.399 12 HB3 SER 3 2HB SER 3 7.671 -23.602 -3.773 13 HG SER 3 HG SER 3 5.768 -23.926 -2.158 14 H GLY 4 H GLY 4 5.176 -22.150 -4.791 15 HA2 GLY 4 1HA GLY 4 6.891 -20.457 -6.347 16 HA3 GLY 4 2HA GLY 4 5.344 -20.738 -7.131 17 H SER 5 H SER 5 3.391 -20.235 -5.831 18 HA SER 5 HA SER 5 3.829 -18.220 -3.756 19 HB2 SER 5 1HB SER 5 3.649 -17.036 -5.952 20 HB3 SER 5 2HB SER 5 2.036 -17.724 -6.145 21 HG SER 5 HG SER 5 2.933 -15.911 -4.161 22 H SER 6 H SER 6 2.209 -18.081 -2.247 23 HA SER 6 HA SER 6 0.343 -20.292 -2.202 24 HB2 SER 6 1HB SER 6 1.522 -19.774 -0.149 25 HB3 SER 6 2HB SER 6 0.934 -18.112 -0.186 26 HG SER 6 HG SER 6 -0.350 -19.295 1.212 27 H GLY 7 H GLY 7 0.194 -16.747 -2.228 28 HA2 GLY 7 1HA GLY 7 -1.526 -15.301 -2.701 29 HA3 GLY 7 2HA GLY 7 -2.072 -16.549 -3.813 30 H SER 8 H SER 8 -2.541 -15.043 -0.741 31 HA SER 8 HA SER 8 -4.958 -16.681 -0.349 32 HB2 SER 8 1HB SER 8 -3.168 -17.191 1.325 33 HB3 SER 8 2HB SER 8 -3.251 -15.513 1.861 34 HG SER 8 HG SER 8 -4.590 -17.268 2.952 35 H GLY 9 H GLY 9 -3.416 -13.584 0.508 36 HA2 GLY 9 1HA GLY 9 -5.758 -12.264 1.319 37 HA3 GLY 9 2HA GLY 9 -4.290 -11.477 0.758 38 H GLU 10 H GLU 10 -7.271 -11.053 0.291 39 HA GLU 10 HA GLU 10 -7.073 -10.843 -2.638 40 HB2 GLU 10 1HB GLU 10 -9.466 -11.701 -1.010 41 HB3 GLU 10 2HB GLU 10 -9.570 -11.209 -2.694 42 HG2 GLU 10 1HG GLU 10 -8.160 -13.596 -1.545 43 HG3 GLU 10 2HG GLU 10 -9.507 -13.564 -2.682 44 H LYS 11 H LYS 11 -6.339 -8.677 -2.228 45 HA LYS 11 HA LYS 11 -8.419 -6.848 -1.238 46 HB2 LYS 11 1HB LYS 11 -5.443 -6.762 -1.279 47 HB3 LYS 11 2HB LYS 11 -6.302 -5.234 -1.432 48 HG2 LYS 11 1HG LYS 11 -6.067 -5.323 0.827 49 HG3 LYS 11 2HG LYS 11 -7.613 -6.158 0.661 50 HD2 LYS 11 1HD LYS 11 -6.500 -7.622 2.030 51 HD3 LYS 11 2HD LYS 11 -6.068 -8.279 0.450 52 HE2 LYS 11 1HE LYS 11 -3.913 -7.416 0.543 53 HE3 LYS 11 2HE LYS 11 -4.342 -6.213 1.759 54 HZ1 LYS 11 3HZ LYS 11 -4.271 -9.137 2.266 55 HZ2 LYS 11 1HZ LYS 11 -4.489 -7.911 3.411 56 HZ3 LYS 11 2HZ LYS 11 -3.000 -8.081 2.627 57 HA PRO 12 HA PRO 12 -9.150 -5.525 -5.389 58 HB2 PRO 12 1HB PRO 12 -10.486 -3.233 -4.813 59 HB3 PRO 12 2HB PRO 12 -11.208 -4.836 -4.636 60 HG2 PRO 12 1HG PRO 12 -9.997 -3.064 -2.550 61 HG3 PRO 12 2HG PRO 12 -11.484 -4.026 -2.473 62 HD2 PRO 12 1HD PRO 12 -9.161 -4.843 -1.348 63 HD3 PRO 12 2HD PRO 12 -10.347 -5.979 -2.023 64 H PHE 13 H PHE 13 -7.920 -3.176 -3.023 65 HA PHE 13 HA PHE 13 -6.680 -1.627 -5.163 66 HB2 PHE 13 1HB PHE 13 -6.691 -1.084 -2.188 67 HB3 PHE 13 2HB PHE 13 -6.204 0.033 -3.459 68 HD1 PHE 13 HD1 PHE 13 -7.965 0.775 -5.131 69 HD2 PHE 13 HD2 PHE 13 -8.905 -1.189 -1.474 70 HE1 PHE 13 HE1 PHE 13 -10.271 1.620 -5.274 71 HE2 PHE 13 HE2 PHE 13 -11.213 -0.348 -1.612 72 HZ PHE 13 HZ PHE 13 -11.899 1.057 -3.514 73 H LYS 14 H LYS 14 -4.593 -1.757 -5.677 74 HA LYS 14 HA LYS 14 -2.689 -2.846 -3.739 75 HB2 LYS 14 1HB LYS 14 -3.257 -4.793 -5.000 76 HB3 LYS 14 2HB LYS 14 -3.160 -3.915 -6.521 77 HG2 LYS 14 1HG LYS 14 -0.718 -3.607 -6.095 78 HG3 LYS 14 2HG LYS 14 -0.887 -4.684 -4.707 79 HD2 LYS 14 1HD LYS 14 -1.842 -5.542 -7.412 80 HD3 LYS 14 2HD LYS 14 -0.131 -5.655 -6.996 81 HE2 LYS 14 1HE LYS 14 -0.690 -7.031 -5.057 82 HE3 LYS 14 2HE LYS 14 -2.404 -6.901 -5.451 83 HZ1 LYS 14 3HZ LYS 14 -0.728 -7.873 -7.599 84 HZ2 LYS 14 1HZ LYS 14 -2.231 -8.431 -7.061 85 HZ3 LYS 14 2HZ LYS 14 -0.819 -8.900 -6.258 86 H CYS 15 H CYS 15 -0.904 -1.653 -3.650 87 HA CYS 15 HA CYS 15 -0.533 0.651 -5.195 88 HB2 CYS 15 1HB CYS 15 0.448 0.058 -2.890 89 HB3 CYS 15 2HB CYS 15 1.715 -0.771 -3.787 90 H LYS 16 H LYS 16 0.407 1.032 -7.101 91 HA LYS 16 HA LYS 16 1.495 -1.235 -8.577 92 HB2 LYS 16 1HB LYS 16 0.618 1.533 -9.378 93 HB3 LYS 16 2HB LYS 16 1.479 0.472 -10.486 94 HG2 LYS 16 1HG LYS 16 -0.348 -1.233 -10.032 95 HG3 LYS 16 2HG LYS 16 -1.240 0.090 -9.275 96 HD2 LYS 16 1HD LYS 16 -0.111 0.467 -12.013 97 HD3 LYS 16 2HD LYS 16 -1.589 -0.478 -11.812 98 HE2 LYS 16 1HE LYS 16 -2.499 1.596 -12.087 99 HE3 LYS 16 2HE LYS 16 -2.288 1.601 -10.336 100 HZ1 LYS 16 3HZ LYS 16 -0.144 2.619 -12.079 101 HZ2 LYS 16 1HZ LYS 16 -0.490 3.010 -10.469 102 HZ3 LYS 16 2HZ LYS 16 -1.470 3.603 -11.713 103 H GLU 17 H GLU 17 2.716 0.998 -6.534 104 HA GLU 17 HA GLU 17 5.134 1.588 -8.048 105 HB2 GLU 17 1HB GLU 17 4.104 2.462 -5.357 106 HB3 GLU 17 2HB GLU 17 5.752 2.794 -5.870 107 HG2 GLU 17 1HG GLU 17 4.606 3.809 -7.972 108 HG3 GLU 17 2HG GLU 17 3.186 3.880 -6.929 109 H CYS 18 H CYS 18 4.162 -0.127 -5.100 110 HA CYS 18 HA CYS 18 6.745 -1.545 -5.178 111 HB2 CYS 18 1HB CYS 18 6.543 -1.810 -2.725 112 HB3 CYS 18 2HB CYS 18 6.643 -0.121 -3.211 113 H GLY 19 H GLY 19 3.284 -1.771 -4.536 114 HA2 GLY 19 1HA GLY 19 2.263 -3.813 -5.565 115 HA3 GLY 19 2HA GLY 19 3.523 -4.710 -4.732 116 H LYS 20 H LYS 20 2.605 -2.198 -2.778 117 HA LYS 20 HA LYS 20 1.604 -3.720 -0.723 118 HB2 LYS 20 1HB LYS 20 2.215 -1.131 -0.957 119 HB3 LYS 20 2HB LYS 20 0.465 -0.989 -1.050 120 HG2 LYS 20 1HG LYS 20 0.707 -0.793 1.190 121 HG3 LYS 20 2HG LYS 20 0.611 -2.553 1.091 122 HD2 LYS 20 1HD LYS 20 3.261 -1.174 0.900 123 HD3 LYS 20 2HD LYS 20 2.514 -1.450 2.475 124 HE2 LYS 20 1HE LYS 20 3.794 -3.349 2.235 125 HE3 LYS 20 2HE LYS 20 2.241 -3.892 1.602 126 HZ1 LYS 20 3HZ LYS 20 4.756 -3.635 0.266 127 HZ2 LYS 20 1HZ LYS 20 3.513 -2.846 -0.568 128 HZ3 LYS 20 2HZ LYS 20 3.373 -4.491 -0.198 129 H ALA 21 H ALA 21 -0.611 -3.696 0.220 130 HA ALA 21 HA ALA 21 -2.709 -3.715 -1.842 131 HB1 ALA 21 3HB ALA 21 -1.981 -6.018 -1.464 132 HB2 ALA 21 1HB ALA 21 -2.312 -5.842 0.260 133 HB3 ALA 21 2HB ALA 21 -3.635 -5.767 -0.905 134 H PHE 22 H PHE 22 -4.832 -3.317 -1.094 135 HA PHE 22 HA PHE 22 -5.214 -2.600 1.694 136 HB2 PHE 22 1HB PHE 22 -6.015 -0.516 -0.293 137 HB3 PHE 22 2HB PHE 22 -5.634 -0.343 1.417 138 HD1 PHE 22 HD1 PHE 22 -4.093 -1.026 -1.889 139 HD2 PHE 22 HD2 PHE 22 -3.527 0.372 2.091 140 HE1 PHE 22 HE1 PHE 22 -1.822 -0.283 -2.477 141 HE2 PHE 22 HE2 PHE 22 -1.256 1.118 1.510 142 HZ PHE 22 HZ PHE 22 -0.401 0.792 -0.777 143 H ARG 23 H ARG 23 -7.506 -2.021 2.146 144 HA ARG 23 HA ARG 23 -9.296 -3.474 0.312 145 HB2 ARG 23 1HB ARG 23 -9.103 -3.362 3.280 146 HB3 ARG 23 2HB ARG 23 -10.707 -3.510 2.575 147 HG2 ARG 23 1HG ARG 23 -9.580 -5.447 1.209 148 HG3 ARG 23 2HG ARG 23 -8.439 -5.432 2.556 149 HD2 ARG 23 1HD ARG 23 -9.975 -6.921 3.360 150 HD3 ARG 23 2HD ARG 23 -10.655 -5.419 3.983 151 HE ARG 23 HE ARG 23 -11.697 -6.039 1.412 152 HH11 ARG 23 1HH1 ARG 23 -11.938 -6.874 4.783 153 HH12 ARG 23 2HH1 ARG 23 -13.581 -7.411 4.667 154 HH21 ARG 23 1HH2 ARG 23 -13.860 -6.743 1.246 155 HH22 ARG 23 2HH2 ARG 23 -14.673 -7.337 2.655 156 H GLN 24 H GLN 24 -8.480 -0.440 1.224 157 HA GLN 24 HA GLN 24 -11.151 0.580 0.560 158 HB2 GLN 24 1HB GLN 24 -9.470 1.260 2.935 159 HB3 GLN 24 2HB GLN 24 -10.457 2.521 2.207 160 HG2 GLN 24 1HG GLN 24 -12.444 1.449 2.733 161 HG3 GLN 24 2HG GLN 24 -11.658 -0.115 2.944 162 HE21 GLN 24 1HE2 GLN 24 -10.572 -0.555 4.862 163 HE22 GLN 24 2HE2 GLN 24 -10.810 0.388 6.290 164 H ASN 25 H ASN 25 -11.034 2.973 -0.010 165 HA ASN 25 HA ASN 25 -8.928 3.301 -1.963 166 HB2 ASN 25 1HB ASN 25 -11.419 4.856 -1.293 167 HB3 ASN 25 2HB ASN 25 -10.228 5.469 -2.436 168 HD21 ASN 25 1HD2 ASN 25 -12.868 3.400 -1.955 169 HD22 ASN 25 2HD2 ASN 25 -12.893 2.675 -3.524 170 H ILE 26 H ILE 26 -9.944 4.789 1.061 171 HA ILE 26 HA ILE 26 -8.195 7.001 0.990 172 HB ILE 26 HB ILE 26 -10.058 6.971 2.531 173 HG12 ILE 26 1HG1 ILE 26 -7.668 6.828 4.336 174 HG13 ILE 26 2HG1 ILE 26 -7.740 8.062 3.083 175 HG21 ILE 26 1HG2 ILE 26 -9.427 4.353 2.960 176 HG22 ILE 26 2HG2 ILE 26 -8.889 5.108 4.459 177 HG23 ILE 26 3HG2 ILE 26 -10.560 5.295 3.930 178 HD11 ILE 26 3HD1 ILE 26 -9.674 7.660 5.349 179 HD12 ILE 26 1HD1 ILE 26 -8.538 8.991 5.131 180 HD13 ILE 26 2HD1 ILE 26 -9.906 8.810 4.032 181 H HIS 27 H HIS 27 -7.778 3.674 1.996 182 HA HIS 27 HA HIS 27 -5.375 3.976 3.433 183 HB2 HIS 27 1HB HIS 27 -6.717 1.680 2.052 184 HB3 HIS 27 2HB HIS 27 -5.079 1.488 2.669 185 HD1 HIS 27 HD1 HIS 27 -5.364 0.113 4.716 186 HD2 HIS 27 HD2 HIS 27 -8.127 3.209 4.519 187 HE1 HIS 27 HE1 HIS 27 -6.604 0.048 6.903 188 H LEU 28 H LEU 28 -5.900 2.921 0.066 189 HA LEU 28 HA LEU 28 -3.227 2.747 -0.682 190 HB2 LEU 28 1HB LEU 28 -4.950 1.843 -2.074 191 HB3 LEU 28 2HB LEU 28 -5.673 3.435 -2.298 192 HG LEU 28 HG LEU 28 -3.549 4.089 -3.506 193 HD11 LEU 28 1HD1 LEU 28 -3.113 1.109 -3.580 194 HD12 LEU 28 2HD1 LEU 28 -2.180 2.233 -2.593 195 HD13 LEU 28 3HD1 LEU 28 -2.128 2.352 -4.352 196 HD21 LEU 28 3HD2 LEU 28 -5.719 3.466 -4.590 197 HD22 LEU 28 1HD2 LEU 28 -5.088 1.829 -4.770 198 HD23 LEU 28 2HD2 LEU 28 -4.288 3.175 -5.581 199 H ALA 29 H ALA 29 -5.464 5.484 -1.146 200 HA ALA 29 HA ALA 29 -3.642 7.260 -2.282 201 HB1 ALA 29 3HB ALA 29 -5.915 7.835 -2.409 202 HB2 ALA 29 1HB ALA 29 -6.133 7.703 -0.663 203 HB3 ALA 29 2HB ALA 29 -5.198 9.039 -1.338 204 H SER 30 H SER 30 -4.281 6.485 1.088 205 HA SER 30 HA SER 30 -2.650 8.604 2.127 206 HB2 SER 30 1HB SER 30 -4.585 7.499 3.343 207 HB3 SER 30 2HB SER 30 -3.526 6.111 3.595 208 HG SER 30 HG SER 30 -2.671 8.690 4.322 209 H HIS 31 H HIS 31 -2.034 5.547 0.794 210 HA HIS 31 HA HIS 31 0.478 5.170 2.220 211 HB2 HIS 31 1HB HIS 31 -0.655 3.132 1.872 212 HB3 HIS 31 2HB HIS 31 -1.040 3.533 0.200 213 HD1 HIS 31 HD1 HIS 31 1.967 2.642 2.334 214 HD2 HIS 31 HD2 HIS 31 0.723 2.554 -1.629 215 HE1 HIS 31 HE1 HIS 31 3.775 1.416 1.089 216 H LEU 32 H LEU 32 -0.605 5.573 -1.150 217 HA LEU 32 HA LEU 32 1.744 5.616 -2.500 218 HB2 LEU 32 1HB LEU 32 -0.613 7.461 -2.830 219 HB3 LEU 32 2HB LEU 32 0.710 7.350 -3.990 220 HG LEU 32 HG LEU 32 -1.047 5.018 -3.243 221 HD11 LEU 32 1HD1 LEU 32 -2.404 6.782 -4.248 222 HD12 LEU 32 2HD1 LEU 32 -2.223 5.410 -5.340 223 HD13 LEU 32 3HD1 LEU 32 -1.282 6.877 -5.605 224 HD21 LEU 32 3HD2 LEU 32 0.174 4.993 -5.854 225 HD22 LEU 32 1HD2 LEU 32 0.275 3.805 -4.553 226 HD23 LEU 32 2HD2 LEU 32 1.392 5.170 -4.589 227 H ARG 33 H ARG 33 0.587 8.028 -0.267 228 HA ARG 33 HA ARG 33 2.146 10.215 -0.922 229 HB2 ARG 33 1HB ARG 33 1.789 9.479 1.956 230 HB3 ARG 33 2HB ARG 33 1.657 11.053 1.183 231 HG2 ARG 33 1HG ARG 33 -0.402 9.874 -0.003 232 HG3 ARG 33 2HG ARG 33 -0.355 8.901 1.468 233 HD2 ARG 33 1HD ARG 33 -0.171 11.852 1.743 234 HD3 ARG 33 2HD ARG 33 -1.735 11.162 1.312 235 HE ARG 33 HE ARG 33 -0.962 9.670 3.432 236 HH11 ARG 33 1HH1 ARG 33 -1.226 13.097 2.883 237 HH12 ARG 33 2HH1 ARG 33 -1.584 13.467 4.537 238 HH21 ARG 33 1HH2 ARG 33 -1.431 10.144 5.613 239 HH22 ARG 33 2HH2 ARG 33 -1.699 11.786 6.090 240 H ILE 34 H ILE 34 3.001 7.388 1.031 241 HA ILE 34 HA ILE 34 5.556 8.274 1.819 242 HB ILE 34 HB ILE 34 6.010 6.046 2.494 243 HG12 ILE 34 1HG1 ILE 34 4.096 4.316 1.704 244 HG13 ILE 34 2HG1 ILE 34 4.145 5.365 0.291 245 HG21 ILE 34 1HG2 ILE 34 4.511 6.685 4.061 246 HG22 ILE 34 2HG2 ILE 34 3.266 7.064 2.872 247 HG23 ILE 34 3HG2 ILE 34 3.553 5.389 3.345 248 HD11 ILE 34 3HD1 ILE 34 5.628 3.609 -0.160 249 HD12 ILE 34 1HD1 ILE 34 6.646 4.982 0.273 250 HD13 ILE 34 2HD1 ILE 34 6.352 3.697 1.446 251 H HIS 35 H HIS 35 4.393 7.387 -1.215 252 HA HIS 35 HA HIS 35 7.042 6.589 -2.189 253 HB2 HIS 35 1HB HIS 35 4.279 6.388 -3.380 254 HB3 HIS 35 2HB HIS 35 5.733 6.113 -4.334 255 HD1 HIS 35 HD1 HIS 35 7.379 4.185 -3.168 256 HD2 HIS 35 HD2 HIS 35 3.325 4.126 -2.259 257 HE1 HIS 35 HE1 HIS 35 6.918 1.870 -2.301 258 H THR 36 H THR 36 4.698 9.147 -2.318 259 HA THR 36 HA THR 36 6.029 10.493 -4.522 260 HB THR 36 HB THR 36 4.300 12.349 -3.774 261 HG1 THR 36 HG1 THR 36 2.826 10.104 -2.947 262 HG21 THR 36 3HG2 THR 36 4.290 11.058 -5.896 263 HG22 THR 36 1HG2 THR 36 2.672 11.393 -5.281 264 HG23 THR 36 2HG2 THR 36 3.376 9.789 -5.081 265 H GLY 37 H GLY 37 7.914 11.445 -4.054 266 HA2 GLY 37 1HA GLY 37 8.125 13.725 -2.493 267 HA3 GLY 37 2HA GLY 37 8.616 12.387 -1.465 268 H GLU 38 H GLU 38 9.911 10.775 -3.329 269 HA GLU 38 HA GLU 38 12.486 11.479 -3.267 270 HB2 GLU 38 1HB GLU 38 11.242 9.453 -4.436 271 HB3 GLU 38 2HB GLU 38 11.560 10.393 -5.888 272 HG2 GLU 38 1HG GLU 38 13.813 10.084 -5.768 273 HG3 GLU 38 2HG GLU 38 13.810 9.919 -4.013 274 H LYS 39 H LYS 39 14.006 12.517 -4.633 275 HA LYS 39 HA LYS 39 13.610 15.067 -5.342 276 HB2 LYS 39 1HB LYS 39 15.430 14.799 -7.054 277 HB3 LYS 39 2HB LYS 39 15.812 14.148 -5.465 278 HG2 LYS 39 1HG LYS 39 16.545 12.431 -6.751 279 HG3 LYS 39 2HG LYS 39 14.865 11.928 -6.548 280 HD2 LYS 39 1HD LYS 39 14.297 12.488 -8.706 281 HD3 LYS 39 2HD LYS 39 15.577 13.696 -8.843 282 HE2 LYS 39 1HE LYS 39 16.078 10.729 -8.694 283 HE3 LYS 39 2HE LYS 39 15.924 11.620 -10.207 284 HZ1 LYS 39 3HZ LYS 39 17.956 12.132 -8.102 285 HZ2 LYS 39 1HZ LYS 39 17.810 12.980 -9.559 286 HZ3 LYS 39 2HZ LYS 39 18.237 11.344 -9.573 287 HA PRO 40 HA PRO 40 10.770 15.265 -8.701 288 HB2 PRO 40 1HB PRO 40 11.443 17.703 -9.687 289 HB3 PRO 40 2HB PRO 40 10.543 17.492 -8.180 290 HG2 PRO 40 1HG PRO 40 13.462 18.018 -8.585 291 HG3 PRO 40 2HG PRO 40 12.350 18.732 -7.403 292 HD2 PRO 40 1HD PRO 40 14.070 16.739 -6.768 293 HD3 PRO 40 2HD PRO 40 12.482 16.912 -5.994 294 H SER 41 H SER 41 10.672 14.923 -10.898 295 HA SER 41 HA SER 41 13.256 14.748 -12.306 296 HB2 SER 41 1HB SER 41 12.262 12.525 -11.796 297 HB3 SER 41 2HB SER 41 10.834 12.979 -12.726 298 HG SER 41 HG SER 41 12.641 13.440 -14.405 299 H GLY 42 H GLY 42 9.749 15.136 -12.783 300 HA2 GLY 42 1HA GLY 42 10.174 17.305 -14.620 301 HA3 GLY 42 2HA GLY 42 9.630 15.837 -15.418 302 HA PRO 43 HA PRO 43 6.166 18.235 -13.017 303 HB2 PRO 43 1HB PRO 43 5.621 20.351 -14.628 304 HB3 PRO 43 2HB PRO 43 6.752 20.442 -13.273 305 HG2 PRO 43 1HG PRO 43 7.317 20.089 -16.191 306 HG3 PRO 43 2HG PRO 43 8.144 21.120 -15.008 307 HD2 PRO 43 1HD PRO 43 9.134 18.728 -15.800 308 HD3 PRO 43 2HD PRO 43 9.385 19.371 -14.164 309 H SER 44 H SER 44 6.507 18.397 -16.568 310 HA SER 44 HA SER 44 3.755 17.513 -16.894 311 HB2 SER 44 1HB SER 44 4.124 17.929 -19.286 312 HB3 SER 44 2HB SER 44 4.611 19.325 -18.326 313 HG SER 44 HG SER 44 6.646 18.995 -18.849 314 H SER 45 H SER 45 3.609 15.381 -16.395 315 HA SER 45 HA SER 45 5.576 13.470 -17.259 316 HB2 SER 45 1HB SER 45 3.960 13.428 -15.168 317 HB3 SER 45 2HB SER 45 2.865 12.640 -16.304 318 HG SER 45 HG SER 45 4.311 11.230 -15.061 319 H GLY 46 H GLY 46 2.104 13.902 -17.981 320 HA2 GLY 46 1HA GLY 46 2.494 13.427 -20.772 321 HA3 GLY 46 2HA GLY 46 1.829 12.014 -19.966 Start of MODEL 19 1 H1 GLY 1 H GLY 1 5.264 -21.887 -16.265 2 HA2 GLY 1 1HA GLY 1 4.066 -23.892 -16.263 3 HA3 GLY 1 2HA GLY 1 4.197 -23.596 -14.535 4 H SER 2 H SER 2 2.392 -23.190 -13.374 5 HA SER 2 HA SER 2 -0.117 -22.778 -14.857 6 HB2 SER 2 1HB SER 2 -0.100 -25.104 -14.228 7 HB3 SER 2 2HB SER 2 0.376 -24.705 -12.577 8 HG SER 2 HG SER 2 -1.974 -25.135 -13.138 9 H SER 3 H SER 3 -0.770 -20.799 -14.330 10 HA SER 3 HA SER 3 -0.068 -19.499 -11.899 11 HB2 SER 3 1HB SER 3 -0.671 -18.463 -14.206 12 HB3 SER 3 2HB SER 3 -2.340 -18.607 -13.655 13 HG SER 3 HG SER 3 -1.945 -17.192 -12.042 14 H GLY 4 H GLY 4 -0.807 -20.526 -10.095 15 HA2 GLY 4 1HA GLY 4 -3.738 -20.831 -9.871 16 HA3 GLY 4 2HA GLY 4 -2.593 -21.908 -9.085 17 H SER 5 H SER 5 -4.765 -20.154 -8.019 18 HA SER 5 HA SER 5 -3.765 -17.921 -6.697 19 HB2 SER 5 1HB SER 5 -6.191 -18.700 -6.870 20 HB3 SER 5 2HB SER 5 -5.838 -19.770 -5.513 21 HG SER 5 HG SER 5 -6.101 -17.007 -5.583 22 H SER 6 H SER 6 -1.896 -17.994 -5.600 23 HA SER 6 HA SER 6 -1.647 -20.015 -3.468 24 HB2 SER 6 1HB SER 6 0.410 -18.926 -5.369 25 HB3 SER 6 2HB SER 6 0.896 -19.557 -3.796 26 HG SER 6 HG SER 6 -0.805 -21.099 -5.397 27 H GLY 7 H GLY 7 -1.233 -19.304 -1.450 28 HA2 GLY 7 1HA GLY 7 -0.348 -17.810 0.161 29 HA3 GLY 7 2HA GLY 7 -0.309 -16.551 -1.065 30 H SER 8 H SER 8 -1.512 -14.954 -0.234 31 HA SER 8 HA SER 8 -4.337 -15.266 -0.068 32 HB2 SER 8 1HB SER 8 -4.020 -16.189 2.090 33 HB3 SER 8 2HB SER 8 -2.761 -15.021 2.492 34 HG SER 8 HG SER 8 -4.643 -14.382 3.498 35 H GLY 9 H GLY 9 -5.181 -13.405 -0.731 36 HA2 GLY 9 1HA GLY 9 -4.464 -10.866 0.258 37 HA3 GLY 9 2HA GLY 9 -3.646 -11.128 -1.276 38 H GLU 10 H GLU 10 -6.887 -11.411 0.177 39 HA GLU 10 HA GLU 10 -8.159 -11.039 -2.385 40 HB2 GLU 10 1HB GLU 10 -10.259 -11.178 -1.121 41 HB3 GLU 10 2HB GLU 10 -9.181 -12.511 -0.731 42 HG2 GLU 10 1HG GLU 10 -8.730 -11.704 1.385 43 HG3 GLU 10 2HG GLU 10 -9.202 -10.058 0.969 44 H LYS 11 H LYS 11 -6.530 -8.895 -1.926 45 HA LYS 11 HA LYS 11 -8.365 -6.725 -1.160 46 HB2 LYS 11 1HB LYS 11 -5.358 -6.904 -1.187 47 HB3 LYS 11 2HB LYS 11 -6.196 -5.361 -1.092 48 HG2 LYS 11 1HG LYS 11 -7.260 -6.032 0.977 49 HG3 LYS 11 2HG LYS 11 -6.508 -7.625 0.869 50 HD2 LYS 11 1HD LYS 11 -4.303 -6.159 0.718 51 HD3 LYS 11 2HD LYS 11 -5.314 -4.997 1.580 52 HE2 LYS 11 1HE LYS 11 -4.802 -7.845 2.436 53 HE3 LYS 11 2HE LYS 11 -4.002 -6.422 3.102 54 HZ1 LYS 11 3HZ LYS 11 -6.757 -5.991 3.223 55 HZ2 LYS 11 1HZ LYS 11 -5.677 -6.199 4.508 56 HZ3 LYS 11 2HZ LYS 11 -6.465 -7.538 3.841 57 HA PRO 12 HA PRO 12 -8.583 -5.802 -5.504 58 HB2 PRO 12 1HB PRO 12 -10.058 -3.537 -5.248 59 HB3 PRO 12 2HB PRO 12 -10.750 -5.156 -5.095 60 HG2 PRO 12 1HG PRO 12 -9.914 -3.243 -2.949 61 HG3 PRO 12 2HG PRO 12 -11.366 -4.257 -3.041 62 HD2 PRO 12 1HD PRO 12 -9.211 -4.932 -1.548 63 HD3 PRO 12 2HD PRO 12 -10.249 -6.142 -2.329 64 H PHE 13 H PHE 13 -8.045 -3.086 -3.247 65 HA PHE 13 HA PHE 13 -6.655 -1.502 -5.148 66 HB2 PHE 13 1HB PHE 13 -6.630 -1.323 -2.128 67 HB3 PHE 13 2HB PHE 13 -6.083 -0.070 -3.237 68 HD1 PHE 13 HD2 PHE 13 -8.993 -1.802 -1.851 69 HD2 PHE 13 HD1 PHE 13 -7.653 1.293 -4.447 70 HE1 PHE 13 HE2 PHE 13 -11.272 -0.876 -1.917 71 HE2 PHE 13 HE1 PHE 13 -9.929 2.224 -4.517 72 HZ PHE 13 HZ PHE 13 -11.742 1.139 -3.252 73 H LYS 14 H LYS 14 -4.563 -1.437 -5.697 74 HA LYS 14 HA LYS 14 -2.584 -2.768 -4.001 75 HB2 LYS 14 1HB LYS 14 -2.964 -4.542 -5.463 76 HB3 LYS 14 2HB LYS 14 -3.257 -3.480 -6.834 77 HG2 LYS 14 1HG LYS 14 -1.045 -3.251 -7.311 78 HG3 LYS 14 2HG LYS 14 -0.547 -3.459 -5.630 79 HD2 LYS 14 1HD LYS 14 -0.593 -5.756 -5.761 80 HD3 LYS 14 2HD LYS 14 -1.775 -5.764 -7.071 81 HE2 LYS 14 1HE LYS 14 -0.096 -5.030 -8.643 82 HE3 LYS 14 2HE LYS 14 1.089 -4.860 -7.349 83 HZ1 LYS 14 3HZ LYS 14 -0.161 -7.476 -7.661 84 HZ2 LYS 14 1HZ LYS 14 1.430 -7.078 -7.243 85 HZ3 LYS 14 2HZ LYS 14 0.938 -7.011 -8.860 86 H CYS 15 H CYS 15 -0.613 -1.803 -3.992 87 HA CYS 15 HA CYS 15 -0.410 0.785 -5.244 88 HB2 CYS 15 1HB CYS 15 0.389 0.330 -2.923 89 HB3 CYS 15 2HB CYS 15 1.653 -0.693 -3.598 90 H LYS 16 H LYS 16 -0.062 0.705 -7.394 91 HA LYS 16 HA LYS 16 1.384 -1.227 -8.791 92 HB2 LYS 16 1HB LYS 16 1.470 0.430 -10.628 93 HB3 LYS 16 2HB LYS 16 -0.136 0.280 -9.926 94 HG2 LYS 16 1HG LYS 16 0.105 2.336 -8.746 95 HG3 LYS 16 2HG LYS 16 1.813 2.446 -9.178 96 HD2 LYS 16 1HD LYS 16 0.940 3.846 -10.755 97 HD3 LYS 16 2HD LYS 16 0.820 2.319 -11.632 98 HE2 LYS 16 1HE LYS 16 -1.265 3.429 -11.881 99 HE3 LYS 16 2HE LYS 16 -1.519 2.110 -10.740 100 HZ1 LYS 16 3HZ LYS 16 -1.665 3.568 -8.963 101 HZ2 LYS 16 1HZ LYS 16 -2.478 4.403 -10.189 102 HZ3 LYS 16 2HZ LYS 16 -0.892 4.829 -9.784 103 H GLU 17 H GLU 17 2.516 1.141 -6.683 104 HA GLU 17 HA GLU 17 5.065 1.591 -7.940 105 HB2 GLU 17 1HB GLU 17 4.406 2.128 -5.051 106 HB3 GLU 17 2HB GLU 17 5.592 2.938 -6.066 107 HG2 GLU 17 1HG GLU 17 3.481 3.599 -7.468 108 HG3 GLU 17 2HG GLU 17 2.641 3.284 -5.951 109 H CYS 18 H CYS 18 4.239 0.151 -4.780 110 HA CYS 18 HA CYS 18 6.630 -1.538 -5.012 111 HB2 CYS 18 1HB CYS 18 6.324 -1.888 -2.554 112 HB3 CYS 18 2HB CYS 18 6.613 -0.210 -3.004 113 H GLY 19 H GLY 19 3.170 -1.665 -4.255 114 HA2 GLY 19 1HA GLY 19 2.064 -3.626 -5.402 115 HA3 GLY 19 2HA GLY 19 3.289 -4.596 -4.598 116 H LYS 20 H LYS 20 2.579 -2.192 -2.496 117 HA LYS 20 HA LYS 20 1.322 -3.842 -0.627 118 HB2 LYS 20 1HB LYS 20 2.532 -1.492 -0.422 119 HB3 LYS 20 2HB LYS 20 0.881 -0.892 -0.514 120 HG2 LYS 20 1HG LYS 20 1.150 -1.088 1.748 121 HG3 LYS 20 2HG LYS 20 0.448 -2.661 1.361 122 HD2 LYS 20 1HD LYS 20 2.533 -3.744 1.517 123 HD3 LYS 20 2HD LYS 20 3.421 -2.220 1.459 124 HE2 LYS 20 1HE LYS 20 1.503 -2.770 3.689 125 HE3 LYS 20 2HE LYS 20 3.128 -3.452 3.728 126 HZ1 LYS 20 3HZ LYS 20 2.641 -1.138 4.782 127 HZ2 LYS 20 1HZ LYS 20 2.806 -0.584 3.192 128 HZ3 LYS 20 2HZ LYS 20 4.084 -1.400 3.939 129 H ALA 21 H ALA 21 -0.713 -4.487 -0.366 130 HA ALA 21 HA ALA 21 -2.774 -3.356 -2.104 131 HB1 ALA 21 3HB ALA 21 -4.081 -5.376 -1.106 132 HB2 ALA 21 1HB ALA 21 -2.834 -5.649 -2.323 133 HB3 ALA 21 2HB ALA 21 -2.479 -5.930 -0.618 134 H PHE 22 H PHE 22 -4.999 -3.157 -1.158 135 HA PHE 22 HA PHE 22 -5.109 -2.541 1.676 136 HB2 PHE 22 1HB PHE 22 -6.020 -0.386 -0.200 137 HB3 PHE 22 2HB PHE 22 -5.606 -0.269 1.507 138 HD1 PHE 22 HD1 PHE 22 -4.166 -0.752 -1.869 139 HD2 PHE 22 HD2 PHE 22 -3.450 0.335 2.183 140 HE1 PHE 22 HE1 PHE 22 -1.906 0.011 -2.476 141 HE2 PHE 22 HE2 PHE 22 -1.190 1.100 1.583 142 HZ PHE 22 HZ PHE 22 -0.416 0.939 -0.749 143 H ARG 23 H ARG 23 -7.370 -1.854 2.309 144 HA ARG 23 HA ARG 23 -9.269 -3.521 0.835 145 HB2 ARG 23 1HB ARG 23 -9.349 -2.341 3.615 146 HB3 ARG 23 2HB ARG 23 -10.683 -3.234 2.896 147 HG2 ARG 23 1HG ARG 23 -9.061 -5.152 2.594 148 HG3 ARG 23 2HG ARG 23 -7.956 -4.249 3.633 149 HD2 ARG 23 1HD ARG 23 -10.776 -4.907 4.444 150 HD3 ARG 23 2HD ARG 23 -9.421 -5.989 4.761 151 HE ARG 23 HE ARG 23 -10.032 -3.529 6.120 152 HH11 ARG 23 1HH1 ARG 23 -7.538 -5.819 5.311 153 HH12 ARG 23 2HH1 ARG 23 -6.529 -5.393 6.653 154 HH21 ARG 23 1HH2 ARG 23 -8.713 -2.958 7.891 155 HH22 ARG 23 2HH2 ARG 23 -7.199 -3.766 8.121 156 H GLN 24 H GLN 24 -8.863 -0.235 2.065 157 HA GLN 24 HA GLN 24 -11.165 0.587 0.418 158 HB2 GLN 24 1HB GLN 24 -10.113 1.903 2.929 159 HB3 GLN 24 2HB GLN 24 -11.476 2.463 1.970 160 HG2 GLN 24 1HG GLN 24 -11.377 -0.228 3.305 161 HG3 GLN 24 2HG GLN 24 -12.070 1.212 4.049 162 HE21 GLN 24 1HE2 GLN 24 -12.704 -1.472 2.200 163 HE22 GLN 24 2HE2 GLN 24 -14.237 -1.004 1.556 164 H ASN 25 H ASN 25 -11.028 2.725 -0.543 165 HA ASN 25 HA ASN 25 -8.617 3.142 -1.917 166 HB2 ASN 25 1HB ASN 25 -10.925 3.855 -2.659 167 HB3 ASN 25 2HB ASN 25 -10.798 5.197 -1.525 168 HD21 ASN 25 1HD2 ASN 25 -10.168 4.133 -4.637 169 HD22 ASN 25 2HD2 ASN 25 -9.149 5.430 -5.151 170 H ILE 26 H ILE 26 -10.047 4.850 0.843 171 HA ILE 26 HA ILE 26 -8.317 6.946 1.150 172 HB ILE 26 HB ILE 26 -10.228 6.644 2.617 173 HG12 ILE 26 1HG1 ILE 26 -7.862 6.547 4.459 174 HG13 ILE 26 2HG1 ILE 26 -8.030 7.875 3.316 175 HG21 ILE 26 1HG2 ILE 26 -10.100 4.213 2.859 176 HG22 ILE 26 2HG2 ILE 26 -8.665 4.389 3.867 177 HG23 ILE 26 3HG2 ILE 26 -10.217 5.011 4.427 178 HD11 ILE 26 3HD1 ILE 26 -8.910 8.298 5.622 179 HD12 ILE 26 1HD1 ILE 26 -10.052 8.588 4.310 180 HD13 ILE 26 2HD1 ILE 26 -10.174 7.117 5.276 181 H HIS 27 H HIS 27 -7.780 3.573 2.010 182 HA HIS 27 HA HIS 27 -5.370 3.952 3.435 183 HB2 HIS 27 1HB HIS 27 -6.714 1.621 2.131 184 HB3 HIS 27 2HB HIS 27 -5.036 1.458 2.642 185 HD1 HIS 27 HD1 HIS 27 -4.639 0.957 5.057 186 HD2 HIS 27 HD2 HIS 27 -8.517 2.258 4.328 187 HE1 HIS 27 HE1 HIS 27 -5.869 0.655 7.230 188 H LEU 28 H LEU 28 -5.916 2.830 0.092 189 HA LEU 28 HA LEU 28 -3.275 2.689 -0.718 190 HB2 LEU 28 1HB LEU 28 -4.990 1.809 -2.109 191 HB3 LEU 28 2HB LEU 28 -5.767 3.384 -2.253 192 HG LEU 28 HG LEU 28 -3.779 4.166 -3.544 193 HD11 LEU 28 1HD1 LEU 28 -2.115 2.706 -4.279 194 HD12 LEU 28 2HD1 LEU 28 -3.034 1.275 -3.812 195 HD13 LEU 28 3HD1 LEU 28 -2.314 2.303 -2.573 196 HD21 LEU 28 3HD2 LEU 28 -4.332 2.500 -5.523 197 HD22 LEU 28 1HD2 LEU 28 -5.496 3.705 -4.971 198 HD23 LEU 28 2HD2 LEU 28 -5.640 2.030 -4.437 199 H ALA 29 H ALA 29 -5.500 5.434 -1.216 200 HA ALA 29 HA ALA 29 -3.653 7.207 -2.303 201 HB1 ALA 29 3HB ALA 29 -6.025 7.899 -0.574 202 HB2 ALA 29 1HB ALA 29 -5.203 8.972 -1.707 203 HB3 ALA 29 2HB ALA 29 -6.086 7.567 -2.305 204 H SER 30 H SER 30 -4.325 6.400 1.047 205 HA SER 30 HA SER 30 -2.728 8.527 2.127 206 HB2 SER 30 1HB SER 30 -4.653 7.453 3.336 207 HB3 SER 30 2HB SER 30 -3.657 6.010 3.525 208 HG SER 30 HG SER 30 -3.158 8.603 4.558 209 H HIS 31 H HIS 31 -2.055 5.519 0.739 210 HA HIS 31 HA HIS 31 0.450 5.162 2.196 211 HB2 HIS 31 1HB HIS 31 -0.703 3.117 1.863 212 HB3 HIS 31 2HB HIS 31 -1.019 3.482 0.170 213 HD1 HIS 31 HD1 HIS 31 1.703 2.311 2.473 214 HD2 HIS 31 HD2 HIS 31 1.017 2.808 -1.594 215 HE1 HIS 31 HE1 HIS 31 3.614 1.151 1.322 216 H LEU 32 H LEU 32 -0.625 5.454 -1.190 217 HA LEU 32 HA LEU 32 1.688 5.512 -2.562 218 HB2 LEU 32 1HB LEU 32 -0.604 7.445 -2.867 219 HB3 LEU 32 2HB LEU 32 0.670 7.212 -4.062 220 HG LEU 32 HG LEU 32 -1.145 4.981 -3.176 221 HD11 LEU 32 1HD1 LEU 32 -2.468 6.862 -4.099 222 HD12 LEU 32 2HD1 LEU 32 -2.527 5.408 -5.094 223 HD13 LEU 32 3HD1 LEU 32 -1.510 6.766 -5.577 224 HD21 LEU 32 3HD2 LEU 32 1.124 4.660 -4.397 225 HD22 LEU 32 1HD2 LEU 32 0.244 5.242 -5.811 226 HD23 LEU 32 2HD2 LEU 32 -0.300 3.791 -4.969 227 H ARG 33 H ARG 33 0.682 7.846 -0.214 228 HA ARG 33 HA ARG 33 2.227 10.051 -0.906 229 HB2 ARG 33 1HB ARG 33 1.919 9.244 1.964 230 HB3 ARG 33 2HB ARG 33 1.844 10.848 1.247 231 HG2 ARG 33 1HG ARG 33 -0.284 9.791 0.058 232 HG3 ARG 33 2HG ARG 33 -0.258 8.782 1.506 233 HD2 ARG 33 1HD ARG 33 0.057 11.719 1.835 234 HD3 ARG 33 2HD ARG 33 -1.542 11.098 1.431 235 HE ARG 33 HE ARG 33 -0.733 9.542 3.512 236 HH11 ARG 33 1HH1 ARG 33 -1.041 12.972 3.002 237 HH12 ARG 33 2HH1 ARG 33 -1.383 13.320 4.664 238 HH21 ARG 33 1HH2 ARG 33 -1.182 9.988 5.703 239 HH22 ARG 33 2HH2 ARG 33 -1.462 11.622 6.200 240 H ILE 34 H ILE 34 3.092 7.240 1.085 241 HA ILE 34 HA ILE 34 5.654 8.026 1.829 242 HB ILE 34 HB ILE 34 6.140 5.722 2.269 243 HG12 ILE 34 1HG1 ILE 34 3.648 4.717 0.992 244 HG13 ILE 34 2HG1 ILE 34 4.991 5.120 -0.073 245 HG21 ILE 34 1HG2 ILE 34 4.102 5.041 3.527 246 HG22 ILE 34 2HG2 ILE 34 4.604 6.706 3.819 247 HG23 ILE 34 3HG2 ILE 34 3.239 6.371 2.754 248 HD11 ILE 34 3HD1 ILE 34 5.451 2.935 0.311 249 HD12 ILE 34 1HD1 ILE 34 6.331 3.649 1.663 250 HD13 ILE 34 2HD1 ILE 34 4.733 2.949 1.921 251 H HIS 35 H HIS 35 4.482 7.355 -1.259 252 HA HIS 35 HA HIS 35 7.184 6.799 -2.285 253 HB2 HIS 35 1HB HIS 35 4.489 6.337 -3.581 254 HB3 HIS 35 2HB HIS 35 6.044 6.010 -4.341 255 HD1 HIS 35 HD1 HIS 35 7.586 4.300 -2.685 256 HD2 HIS 35 HD2 HIS 35 3.440 4.103 -2.507 257 HE1 HIS 35 HE1 HIS 35 7.061 2.047 -1.697 258 H THR 36 H THR 36 4.395 8.910 -2.559 259 HA THR 36 HA THR 36 5.041 10.373 -4.815 260 HB THR 36 HB THR 36 3.767 12.236 -3.835 261 HG1 THR 36 HG1 THR 36 4.363 10.864 -1.499 262 HG21 THR 36 3HG2 THR 36 1.760 11.184 -4.030 263 HG22 THR 36 1HG2 THR 36 2.211 9.883 -2.929 264 HG23 THR 36 2HG2 THR 36 2.784 9.865 -4.597 265 H GLY 37 H GLY 37 5.999 12.498 -5.046 266 HA2 GLY 37 1HA GLY 37 7.975 13.184 -2.978 267 HA3 GLY 37 2HA GLY 37 8.516 12.929 -4.630 268 H GLU 38 H GLU 38 8.802 14.731 -5.744 269 HA GLU 38 HA GLU 38 7.623 17.210 -4.827 270 HB2 GLU 38 1HB GLU 38 10.035 16.805 -5.749 271 HB3 GLU 38 2HB GLU 38 9.266 16.958 -7.322 272 HG2 GLU 38 1HG GLU 38 8.733 19.061 -5.298 273 HG3 GLU 38 2HG GLU 38 10.317 19.027 -6.072 274 H LYS 39 H LYS 39 6.587 18.707 -6.362 275 HA LYS 39 HA LYS 39 5.342 17.567 -8.709 276 HB2 LYS 39 1HB LYS 39 3.040 18.029 -7.947 277 HB3 LYS 39 2HB LYS 39 3.821 16.778 -6.989 278 HG2 LYS 39 1HG LYS 39 2.892 17.993 -5.316 279 HG3 LYS 39 2HG LYS 39 4.433 18.843 -5.454 280 HD2 LYS 39 1HD LYS 39 2.687 20.479 -5.356 281 HD3 LYS 39 2HD LYS 39 3.320 20.455 -7.003 282 HE2 LYS 39 1HE LYS 39 1.437 19.367 -7.839 283 HE3 LYS 39 2HE LYS 39 0.943 18.796 -6.246 284 HZ1 LYS 39 3HZ LYS 39 0.319 21.014 -5.638 285 HZ2 LYS 39 1HZ LYS 39 -0.442 20.625 -7.098 286 HZ3 LYS 39 2HZ LYS 39 0.910 21.641 -7.094 287 HA PRO 40 HA PRO 40 5.509 21.735 -10.082 288 HB2 PRO 40 1HB PRO 40 3.459 21.777 -11.860 289 HB3 PRO 40 2HB PRO 40 4.984 20.939 -12.172 290 HG2 PRO 40 1HG PRO 40 2.368 19.826 -11.233 291 HG3 PRO 40 2HG PRO 40 3.490 19.178 -12.444 292 HD2 PRO 40 1HD PRO 40 3.381 18.237 -9.907 293 HD3 PRO 40 2HD PRO 40 4.885 18.272 -10.848 294 H SER 41 H SER 41 4.937 23.452 -8.918 295 HA SER 41 HA SER 41 2.088 23.903 -8.365 296 HB2 SER 41 1HB SER 41 3.165 22.971 -6.328 297 HB3 SER 41 2HB SER 41 4.302 24.319 -6.341 298 HG SER 41 HG SER 41 2.816 25.565 -5.525 299 H GLY 42 H GLY 42 1.542 25.740 -9.325 300 HA2 GLY 42 1HA GLY 42 3.429 27.677 -10.190 301 HA3 GLY 42 2HA GLY 42 1.681 27.852 -10.223 302 HA PRO 43 HA PRO 43 2.071 30.929 -7.112 303 HB2 PRO 43 1HB PRO 43 -0.458 30.874 -6.125 304 HB3 PRO 43 2HB PRO 43 -0.055 31.578 -7.695 305 HG2 PRO 43 1HG PRO 43 -1.192 28.882 -7.062 306 HG3 PRO 43 2HG PRO 43 -1.649 30.015 -8.347 307 HD2 PRO 43 1HD PRO 43 -0.066 27.865 -8.797 308 HD3 PRO 43 2HD PRO 43 0.105 29.382 -9.702 309 H SER 44 H SER 44 3.481 30.052 -5.603 310 HA SER 44 HA SER 44 3.031 27.920 -3.895 311 HB2 SER 44 1HB SER 44 5.201 29.196 -4.258 312 HB3 SER 44 2HB SER 44 4.588 30.387 -3.111 313 HG SER 44 HG SER 44 4.881 27.618 -2.560 314 H SER 45 H SER 45 2.416 27.791 -1.691 315 HA SER 45 HA SER 45 0.697 28.067 -0.173 316 HB2 SER 45 1HB SER 45 1.127 29.944 1.298 317 HB3 SER 45 2HB SER 45 2.670 29.298 0.738 318 HG SER 45 HG SER 45 2.316 31.683 0.669 319 H GLY 46 H GLY 46 -0.314 28.538 -2.717 320 HA2 GLY 46 1HA GLY 46 -2.234 30.710 -2.156 321 HA3 GLY 46 2HA GLY 46 -1.551 30.486 -3.759 Start of MODEL 20 1 H1 GLY 1 H GLY 1 1.777 -29.601 -0.408 2 HA2 GLY 1 1HA GLY 1 3.080 -28.577 -2.233 3 HA3 GLY 1 2HA GLY 1 1.755 -27.523 -1.762 4 H SER 2 H SER 2 3.732 -26.295 -2.995 5 HA SER 2 HA SER 2 5.487 -25.174 -0.922 6 HB2 SER 2 1HB SER 2 6.954 -24.467 -2.660 7 HB3 SER 2 2HB SER 2 6.469 -26.111 -3.076 8 HG SER 2 HG SER 2 5.734 -23.678 -4.261 9 H SER 3 H SER 3 6.091 -22.745 -1.750 10 HA SER 3 HA SER 3 5.351 -20.594 -1.499 11 HB2 SER 3 1HB SER 3 3.539 -21.619 -3.693 12 HB3 SER 3 2HB SER 3 3.677 -19.916 -3.255 13 HG SER 3 HG SER 3 6.098 -20.522 -3.567 14 H GLY 4 H GLY 4 4.363 -22.081 0.538 15 HA2 GLY 4 1HA GLY 4 1.495 -21.815 0.730 16 HA3 GLY 4 2HA GLY 4 2.580 -22.375 1.993 17 H SER 5 H SER 5 1.899 -19.371 0.195 18 HA SER 5 HA SER 5 2.441 -17.849 2.636 19 HB2 SER 5 1HB SER 5 2.445 -15.873 1.158 20 HB3 SER 5 2HB SER 5 3.578 -17.102 0.596 21 HG SER 5 HG SER 5 1.604 -15.996 -0.753 22 H SER 6 H SER 6 0.722 -17.670 3.923 23 HA SER 6 HA SER 6 -1.916 -18.027 3.406 24 HB2 SER 6 1HB SER 6 -0.496 -16.264 5.371 25 HB3 SER 6 2HB SER 6 -2.255 -16.204 5.268 26 HG SER 6 HG SER 6 -0.918 -18.672 5.491 27 H GLY 7 H GLY 7 -3.677 -16.782 2.778 28 HA2 GLY 7 1HA GLY 7 -3.102 -14.104 1.707 29 HA3 GLY 7 2HA GLY 7 -3.833 -15.308 0.657 30 H SER 8 H SER 8 -4.319 -13.843 3.869 31 HA SER 8 HA SER 8 -7.206 -14.180 3.549 32 HB2 SER 8 1HB SER 8 -6.181 -14.882 5.683 33 HB3 SER 8 2HB SER 8 -5.618 -13.232 5.948 34 HG SER 8 HG SER 8 -7.910 -12.640 5.798 35 H GLY 9 H GLY 9 -7.340 -12.549 1.868 36 HA2 GLY 9 1HA GLY 9 -8.404 -10.156 2.624 37 HA3 GLY 9 2HA GLY 9 -6.685 -9.816 2.488 38 H GLU 10 H GLU 10 -9.416 -9.397 0.892 39 HA GLU 10 HA GLU 10 -8.398 -10.142 -1.752 40 HB2 GLU 10 1HB GLU 10 -11.084 -9.510 -0.638 41 HB3 GLU 10 2HB GLU 10 -10.794 -9.113 -2.325 42 HG2 GLU 10 1HG GLU 10 -10.254 -11.838 -1.190 43 HG3 GLU 10 2HG GLU 10 -11.821 -11.370 -1.846 44 H LYS 11 H LYS 11 -7.356 -7.905 -0.081 45 HA LYS 11 HA LYS 11 -8.012 -5.387 -0.604 46 HB2 LYS 11 1HB LYS 11 -5.271 -6.609 -0.932 47 HB3 LYS 11 2HB LYS 11 -5.554 -4.873 -0.944 48 HG2 LYS 11 1HG LYS 11 -5.988 -4.785 1.289 49 HG3 LYS 11 2HG LYS 11 -6.614 -6.434 1.346 50 HD2 LYS 11 1HD LYS 11 -4.187 -7.142 0.851 51 HD3 LYS 11 2HD LYS 11 -3.763 -5.497 1.333 52 HE2 LYS 11 1HE LYS 11 -5.384 -7.380 3.038 53 HE3 LYS 11 2HE LYS 11 -3.633 -7.212 3.161 54 HZ1 LYS 11 3HZ LYS 11 -5.304 -5.800 4.630 55 HZ2 LYS 11 1HZ LYS 11 -5.203 -4.761 3.299 56 HZ3 LYS 11 2HZ LYS 11 -3.802 -5.198 4.140 57 HA PRO 12 HA PRO 12 -8.518 -5.659 -5.115 58 HB2 PRO 12 1HB PRO 12 -10.235 -3.561 -5.253 59 HB3 PRO 12 2HB PRO 12 -10.750 -5.196 -4.824 60 HG2 PRO 12 1HG PRO 12 -10.168 -2.865 -3.039 61 HG3 PRO 12 2HG PRO 12 -11.500 -4.032 -2.955 62 HD2 PRO 12 1HD PRO 12 -9.313 -4.201 -1.368 63 HD3 PRO 12 2HD PRO 12 -10.198 -5.634 -1.929 64 H PHE 13 H PHE 13 -7.741 -2.911 -3.065 65 HA PHE 13 HA PHE 13 -6.681 -1.389 -5.303 66 HB2 PHE 13 1HB PHE 13 -6.647 -0.724 -2.352 67 HB3 PHE 13 2HB PHE 13 -6.287 0.377 -3.678 68 HD1 PHE 13 HD1 PHE 13 -8.219 0.613 -5.457 69 HD2 PHE 13 HD2 PHE 13 -8.752 -0.692 -1.441 70 HE1 PHE 13 HE1 PHE 13 -10.591 1.257 -5.566 71 HE2 PHE 13 HE2 PHE 13 -11.125 -0.051 -1.544 72 HZ PHE 13 HZ PHE 13 -12.048 0.924 -3.609 73 H LYS 14 H LYS 14 -4.789 -2.111 -6.059 74 HA LYS 14 HA LYS 14 -2.736 -3.006 -4.169 75 HB2 LYS 14 1HB LYS 14 -1.853 -4.299 -5.838 76 HB3 LYS 14 2HB LYS 14 -3.525 -4.239 -6.380 77 HG2 LYS 14 1HG LYS 14 -2.469 -3.740 -8.330 78 HG3 LYS 14 2HG LYS 14 -2.666 -2.111 -7.679 79 HD2 LYS 14 1HD LYS 14 -0.445 -2.073 -8.263 80 HD3 LYS 14 2HD LYS 14 -0.331 -2.608 -6.585 81 HE2 LYS 14 1HE LYS 14 1.103 -3.971 -7.969 82 HE3 LYS 14 2HE LYS 14 -0.239 -4.945 -7.370 83 HZ1 LYS 14 3HZ LYS 14 0.529 -4.807 -9.944 84 HZ2 LYS 14 1HZ LYS 14 -0.737 -3.685 -9.915 85 HZ3 LYS 14 2HZ LYS 14 -1.010 -5.281 -9.425 86 H CYS 15 H CYS 15 -0.757 -2.033 -3.990 87 HA CYS 15 HA CYS 15 -0.593 0.720 -4.727 88 HB2 CYS 15 1HB CYS 15 0.371 -0.231 -2.628 89 HB3 CYS 15 2HB CYS 15 1.584 -1.053 -3.603 90 H LYS 16 H LYS 16 0.115 1.541 -6.572 91 HA LYS 16 HA LYS 16 1.393 -0.160 -8.532 92 HB2 LYS 16 1HB LYS 16 0.651 2.768 -8.684 93 HB3 LYS 16 2HB LYS 16 1.170 1.767 -10.034 94 HG2 LYS 16 1HG LYS 16 -1.271 1.137 -8.403 95 HG3 LYS 16 2HG LYS 16 -1.312 2.188 -9.820 96 HD2 LYS 16 1HD LYS 16 -0.071 -0.527 -10.009 97 HD3 LYS 16 2HD LYS 16 -1.827 -0.355 -10.073 98 HE2 LYS 16 1HE LYS 16 -0.044 1.299 -11.826 99 HE3 LYS 16 2HE LYS 16 -0.493 -0.343 -12.282 100 HZ1 LYS 16 3HZ LYS 16 -2.819 0.976 -11.503 101 HZ2 LYS 16 1HZ LYS 16 -2.391 0.454 -13.055 102 HZ3 LYS 16 2HZ LYS 16 -1.992 2.018 -12.548 103 H GLU 17 H GLU 17 2.797 0.699 -6.024 104 HA GLU 17 HA GLU 17 5.171 1.855 -7.329 105 HB2 GLU 17 1HB GLU 17 3.965 2.504 -4.653 106 HB3 GLU 17 2HB GLU 17 5.672 2.782 -4.969 107 HG2 GLU 17 1HG GLU 17 3.442 3.936 -6.624 108 HG3 GLU 17 2HG GLU 17 4.225 4.775 -5.286 109 H CYS 18 H CYS 18 4.012 -0.063 -4.572 110 HA CYS 18 HA CYS 18 6.497 -1.638 -4.743 111 HB2 CYS 18 1HB CYS 18 6.392 -1.974 -2.318 112 HB3 CYS 18 2HB CYS 18 6.499 -0.261 -2.711 113 H GLY 19 H GLY 19 3.070 -1.594 -4.647 114 HA2 GLY 19 1HA GLY 19 1.915 -3.526 -5.562 115 HA3 GLY 19 2HA GLY 19 3.064 -4.544 -4.706 116 H LYS 20 H LYS 20 2.788 -2.640 -2.345 117 HA LYS 20 HA LYS 20 1.261 -4.057 -0.653 118 HB2 LYS 20 1HB LYS 20 2.581 -1.996 -0.097 119 HB3 LYS 20 2HB LYS 20 1.229 -1.035 -0.684 120 HG2 LYS 20 1HG LYS 20 0.847 -1.059 1.581 121 HG3 LYS 20 2HG LYS 20 -0.153 -2.408 1.036 122 HD2 LYS 20 1HD LYS 20 1.909 -3.864 1.521 123 HD3 LYS 20 2HD LYS 20 2.503 -2.476 2.434 124 HE2 LYS 20 1HE LYS 20 -0.124 -3.886 2.893 125 HE3 LYS 20 2HE LYS 20 1.333 -4.098 3.862 126 HZ1 LYS 20 3HZ LYS 20 -0.658 -2.147 4.129 127 HZ2 LYS 20 1HZ LYS 20 0.782 -1.363 3.711 128 HZ3 LYS 20 2HZ LYS 20 0.730 -2.365 5.072 129 H ALA 21 H ALA 21 -0.789 -4.674 -0.510 130 HA ALA 21 HA ALA 21 -2.788 -3.309 -2.164 131 HB1 ALA 21 3HB ALA 21 -2.358 -5.825 -2.306 132 HB2 ALA 21 1HB ALA 21 -3.194 -5.929 -0.756 133 HB3 ALA 21 2HB ALA 21 -4.033 -5.291 -2.170 134 H PHE 22 H PHE 22 -4.924 -2.923 -1.298 135 HA PHE 22 HA PHE 22 -5.114 -2.792 1.617 136 HB2 PHE 22 1HB PHE 22 -5.856 -0.402 -0.061 137 HB3 PHE 22 2HB PHE 22 -5.671 -0.493 1.688 138 HD1 PHE 22 HD1 PHE 22 -3.750 -0.771 -1.480 139 HD2 PHE 22 HD2 PHE 22 -3.668 0.117 2.681 140 HE1 PHE 22 HE1 PHE 22 -1.421 -0.007 -1.693 141 HE2 PHE 22 HE2 PHE 22 -1.339 0.884 2.475 142 HZ PHE 22 HZ PHE 22 -0.213 0.824 0.285 143 H ARG 23 H ARG 23 -7.381 -2.078 2.278 144 HA ARG 23 HA ARG 23 -9.289 -3.515 0.582 145 HB2 ARG 23 1HB ARG 23 -9.425 -2.695 3.487 146 HB3 ARG 23 2HB ARG 23 -10.724 -3.510 2.627 147 HG2 ARG 23 1HG ARG 23 -9.403 -5.469 2.330 148 HG3 ARG 23 2HG ARG 23 -7.958 -4.650 2.928 149 HD2 ARG 23 1HD ARG 23 -9.124 -4.361 5.117 150 HD3 ARG 23 2HD ARG 23 -10.433 -5.363 4.492 151 HE ARG 23 HE ARG 23 -7.889 -6.253 5.450 152 HH11 ARG 23 1HH1 ARG 23 -10.499 -6.978 3.263 153 HH12 ARG 23 2HH1 ARG 23 -10.187 -8.682 3.249 154 HH21 ARG 23 1HH2 ARG 23 -7.468 -8.495 5.439 155 HH22 ARG 23 2HH2 ARG 23 -8.463 -9.544 4.488 156 H GLN 24 H GLN 24 -8.667 -0.392 2.031 157 HA GLN 24 HA GLN 24 -11.096 0.660 0.738 158 HB2 GLN 24 1HB GLN 24 -9.542 1.752 3.089 159 HB3 GLN 24 2HB GLN 24 -10.917 2.551 2.339 160 HG2 GLN 24 1HG GLN 24 -12.376 0.748 2.983 161 HG3 GLN 24 2HG GLN 24 -11.012 -0.167 3.624 162 HE21 GLN 24 1HE2 GLN 24 -9.698 1.144 5.279 163 HE22 GLN 24 2HE2 GLN 24 -10.627 1.964 6.482 164 H ASN 25 H ASN 25 -10.964 2.469 -0.561 165 HA ASN 25 HA ASN 25 -8.612 2.833 -2.040 166 HB2 ASN 25 1HB ASN 25 -10.804 3.353 -2.967 167 HB3 ASN 25 2HB ASN 25 -11.026 4.640 -1.786 168 HD21 ASN 25 1HD2 ASN 25 -10.645 4.326 -4.861 169 HD22 ASN 25 2HD2 ASN 25 -9.573 5.628 -5.237 170 H ILE 26 H ILE 26 -9.916 4.563 0.727 171 HA ILE 26 HA ILE 26 -8.253 6.812 0.671 172 HB ILE 26 HB ILE 26 -10.178 6.705 2.146 173 HG12 ILE 26 1HG1 ILE 26 -7.771 6.853 3.948 174 HG13 ILE 26 2HG1 ILE 26 -8.053 8.062 2.700 175 HG21 ILE 26 1HG2 ILE 26 -10.215 5.315 4.134 176 HG22 ILE 26 2HG2 ILE 26 -10.032 4.314 2.694 177 HG23 ILE 26 3HG2 ILE 26 -8.636 4.647 3.720 178 HD11 ILE 26 3HD1 ILE 26 -9.800 8.989 3.801 179 HD12 ILE 26 1HD1 ILE 26 -10.288 7.466 4.544 180 HD13 ILE 26 2HD1 ILE 26 -8.908 8.357 5.185 181 H HIS 27 H HIS 27 -7.764 3.610 2.088 182 HA HIS 27 HA HIS 27 -5.381 4.135 3.460 183 HB2 HIS 27 1HB HIS 27 -6.624 1.657 2.319 184 HB3 HIS 27 2HB HIS 27 -4.991 1.591 2.975 185 HD1 HIS 27 HD1 HIS 27 -6.108 -0.073 4.756 186 HD2 HIS 27 HD2 HIS 27 -7.275 3.908 4.989 187 HE1 HIS 27 HE1 HIS 27 -7.166 0.186 7.023 188 H LEU 28 H LEU 28 -5.857 2.804 0.189 189 HA LEU 28 HA LEU 28 -3.190 2.545 -0.529 190 HB2 LEU 28 1HB LEU 28 -4.873 1.595 -1.907 191 HB3 LEU 28 2HB LEU 28 -5.631 3.163 -2.172 192 HG LEU 28 HG LEU 28 -3.612 3.846 -3.465 193 HD11 LEU 28 1HD1 LEU 28 -1.942 2.325 -4.067 194 HD12 LEU 28 2HD1 LEU 28 -2.872 0.939 -3.499 195 HD13 LEU 28 3HD1 LEU 28 -2.169 2.064 -2.337 196 HD21 LEU 28 3HD2 LEU 28 -4.313 2.821 -5.451 197 HD22 LEU 28 1HD2 LEU 28 -5.748 2.828 -4.426 198 HD23 LEU 28 2HD2 LEU 28 -4.811 1.346 -4.619 199 H ALA 29 H ALA 29 -5.356 5.299 -1.189 200 HA ALA 29 HA ALA 29 -3.416 6.957 -2.351 201 HB1 ALA 29 3HB ALA 29 -6.125 7.317 -1.241 202 HB2 ALA 29 1HB ALA 29 -5.122 8.765 -1.331 203 HB3 ALA 29 2HB ALA 29 -5.453 7.828 -2.789 204 H SER 30 H SER 30 -3.937 6.063 0.914 205 HA SER 30 HA SER 30 -2.553 8.374 2.004 206 HB2 SER 30 1HB SER 30 -3.903 5.968 3.193 207 HB3 SER 30 2HB SER 30 -2.815 6.950 4.173 208 HG SER 30 HG SER 30 -4.265 8.730 3.141 209 H HIS 31 H HIS 31 -1.821 5.228 0.877 210 HA HIS 31 HA HIS 31 0.708 5.107 2.333 211 HB2 HIS 31 1HB HIS 31 -0.410 3.012 2.270 212 HB3 HIS 31 2HB HIS 31 -0.739 3.155 0.546 213 HD1 HIS 31 HD1 HIS 31 2.078 2.450 2.948 214 HD2 HIS 31 HD2 HIS 31 1.243 2.199 -1.114 215 HE1 HIS 31 HE1 HIS 31 3.995 1.168 1.945 216 H LEU 32 H LEU 32 -0.487 5.180 -1.010 217 HA LEU 32 HA LEU 32 1.913 5.097 -2.369 218 HB2 LEU 32 1HB LEU 32 -0.598 6.631 -3.008 219 HB3 LEU 32 2HB LEU 32 0.744 6.434 -4.133 220 HG LEU 32 HG LEU 32 -0.701 4.069 -2.975 221 HD11 LEU 32 1HD1 LEU 32 -1.426 5.674 -5.418 222 HD12 LEU 32 2HD1 LEU 32 -2.427 5.372 -3.998 223 HD13 LEU 32 3HD1 LEU 32 -2.017 4.046 -5.086 224 HD21 LEU 32 3HD2 LEU 32 1.552 3.889 -4.135 225 HD22 LEU 32 1HD2 LEU 32 0.709 4.353 -5.614 226 HD23 LEU 32 2HD2 LEU 32 0.253 2.876 -4.765 227 H ARG 33 H ARG 33 0.503 7.710 -0.553 228 HA ARG 33 HA ARG 33 1.900 9.886 -1.585 229 HB2 ARG 33 1HB ARG 33 1.398 11.021 0.460 230 HB3 ARG 33 2HB ARG 33 0.036 9.971 0.091 231 HG2 ARG 33 1HG ARG 33 1.066 8.290 1.669 232 HG3 ARG 33 2HG ARG 33 2.169 9.574 2.166 233 HD2 ARG 33 1HD ARG 33 -0.808 9.956 2.189 234 HD3 ARG 33 2HD ARG 33 0.037 9.211 3.546 235 HE ARG 33 HE ARG 33 1.183 11.715 2.763 236 HH11 ARG 33 1HH1 ARG 33 -1.350 10.217 4.623 237 HH12 ARG 33 2HH1 ARG 33 -1.513 11.551 5.718 238 HH21 ARG 33 1HH2 ARG 33 0.979 13.476 4.197 239 HH22 ARG 33 2HH2 ARG 33 -0.188 13.404 5.474 240 H ILE 34 H ILE 34 2.982 7.267 0.397 241 HA ILE 34 HA ILE 34 5.360 8.574 1.344 242 HB ILE 34 HB ILE 34 5.936 6.552 2.382 243 HG12 ILE 34 1HG1 ILE 34 4.420 4.462 1.669 244 HG13 ILE 34 2HG1 ILE 34 4.409 5.332 0.138 245 HG21 ILE 34 1HG2 ILE 34 2.990 7.021 2.277 246 HG22 ILE 34 2HG2 ILE 34 3.629 5.666 3.207 247 HG23 ILE 34 3HG2 ILE 34 4.128 7.313 3.592 248 HD11 ILE 34 3HD1 ILE 34 7.029 4.950 1.452 249 HD12 ILE 34 1HD1 ILE 34 6.253 3.528 0.755 250 HD13 ILE 34 2HD1 ILE 34 6.599 4.930 -0.258 251 H HIS 35 H HIS 35 4.430 7.161 -1.581 252 HA HIS 35 HA HIS 35 7.186 6.515 -2.342 253 HB2 HIS 35 1HB HIS 35 4.545 5.946 -3.698 254 HB3 HIS 35 2HB HIS 35 6.113 5.555 -4.399 255 HD1 HIS 35 HD1 HIS 35 7.622 4.134 -2.358 256 HD2 HIS 35 HD2 HIS 35 3.498 3.709 -2.631 257 HE1 HIS 35 HE1 HIS 35 7.093 1.957 -1.215 258 H THR 36 H THR 36 4.659 8.822 -2.859 259 HA THR 36 HA THR 36 5.537 9.913 -5.309 260 HB THR 36 HB THR 36 4.363 12.051 -4.205 261 HG1 THR 36 HG1 THR 36 3.628 11.551 -2.288 262 HG21 THR 36 3HG2 THR 36 2.444 9.887 -4.813 263 HG22 THR 36 1HG2 THR 36 3.656 10.220 -6.048 264 HG23 THR 36 2HG2 THR 36 2.582 11.506 -5.498 265 H GLY 37 H GLY 37 7.836 10.032 -5.073 266 HA2 GLY 37 1HA GLY 37 9.833 11.044 -4.536 267 HA3 GLY 37 2HA GLY 37 8.888 12.523 -4.625 268 H GLU 38 H GLU 38 10.398 10.206 -2.551 269 HA GLU 38 HA GLU 38 10.143 12.056 -0.321 270 HB2 GLU 38 1HB GLU 38 8.219 10.397 -0.221 271 HB3 GLU 38 2HB GLU 38 9.427 9.152 0.065 272 HG2 GLU 38 1HG GLU 38 10.195 10.642 2.013 273 HG3 GLU 38 2HG GLU 38 8.636 11.442 1.818 274 H LYS 39 H LYS 39 11.998 12.205 0.766 275 HA LYS 39 HA LYS 39 13.878 9.950 0.693 276 HB2 LYS 39 1HB LYS 39 14.463 12.822 -0.019 277 HB3 LYS 39 2HB LYS 39 15.727 11.689 0.443 278 HG2 LYS 39 1HG LYS 39 15.797 11.534 -1.840 279 HG3 LYS 39 2HG LYS 39 14.697 10.211 -1.444 280 HD2 LYS 39 1HD LYS 39 13.530 11.253 -3.127 281 HD3 LYS 39 2HD LYS 39 12.865 12.071 -1.711 282 HE2 LYS 39 1HE LYS 39 14.712 13.807 -2.087 283 HE3 LYS 39 2HE LYS 39 14.898 13.075 -3.679 284 HZ1 LYS 39 3HZ LYS 39 12.569 14.515 -2.578 285 HZ2 LYS 39 1HZ LYS 39 12.397 13.454 -3.885 286 HZ3 LYS 39 2HZ LYS 39 13.408 14.803 -4.018 287 HA PRO 40 HA PRO 40 14.063 10.741 5.033 288 HB2 PRO 40 1HB PRO 40 16.266 9.255 5.588 289 HB3 PRO 40 2HB PRO 40 14.687 8.540 5.244 290 HG2 PRO 40 1HG PRO 40 17.041 8.897 3.429 291 HG3 PRO 40 2HG PRO 40 15.970 7.495 3.610 292 HD2 PRO 40 1HD PRO 40 15.714 9.271 1.582 293 HD3 PRO 40 2HD PRO 40 14.324 8.422 2.290 294 H SER 41 H SER 41 14.849 12.424 6.126 295 HA SER 41 HA SER 41 16.892 14.080 5.080 296 HB2 SER 41 1HB SER 41 14.940 14.759 6.592 297 HB3 SER 41 2HB SER 41 15.911 14.152 7.933 298 HG SER 41 HG SER 41 17.530 15.646 7.341 299 H GLY 42 H GLY 42 18.904 14.674 6.131 300 HA2 GLY 42 1HA GLY 42 20.386 13.927 8.081 301 HA3 GLY 42 2HA GLY 42 20.168 12.326 7.389 302 HA PRO 43 HA PRO 43 23.801 13.002 5.016 303 HB2 PRO 43 1HB PRO 43 23.383 11.187 3.042 304 HB3 PRO 43 2HB PRO 43 23.834 10.728 4.688 305 HG2 PRO 43 1HG PRO 43 21.132 10.744 3.399 306 HG3 PRO 43 2HG PRO 43 21.859 9.522 4.458 307 HD2 PRO 43 1HD PRO 43 20.068 11.345 5.352 308 HD3 PRO 43 2HD PRO 43 21.376 10.711 6.372 309 H SER 44 H SER 44 24.066 14.802 3.855 310 HA SER 44 HA SER 44 22.178 15.406 1.693 311 HB2 SER 44 1HB SER 44 23.126 17.692 1.783 312 HB3 SER 44 2HB SER 44 22.480 17.182 3.343 313 HG SER 44 HG SER 44 25.015 17.872 2.669 314 H SER 45 H SER 45 25.685 15.540 2.322 315 HA SER 45 HA SER 45 26.521 15.981 -0.290 316 HB2 SER 45 1HB SER 45 27.904 15.998 1.877 317 HB3 SER 45 2HB SER 45 28.068 14.258 1.642 318 HG SER 45 HG SER 45 28.630 15.887 -0.542 319 H GLY 46 H GLY 46 27.607 14.480 -1.774 320 HA2 GLY 46 1HA GLY 46 25.945 12.373 -2.556 321 HA3 GLY 46 2HA GLY 46 27.589 12.625 -3.124
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