NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
5562 | 1hof | 5143 | cing | recoord | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H THR 1 H THR 1 -28.851 27.406 4.215 2 HA THR 1 HA THR 1 -26.707 25.401 4.365 3 HB THR 1 HB THR 1 -26.186 27.720 5.149 4 HG1 THR 1 1HG THR 1 -25.154 26.083 6.352 5 1HG2 THR 1 1HG2 THR 1 -27.284 28.602 7.163 6 2HG2 THR 1 2HG2 THR 1 -28.538 28.308 5.934 7 3HG2 THR 1 3HG2 THR 1 -28.318 27.157 7.274 8 H SER 2 H SER 2 -29.762 26.467 5.985 9 HA SER 2 HA SER 2 -29.783 23.972 7.409 10 1HB SER 2 1HB SER 2 -30.445 26.114 8.519 11 2HB SER 2 2HB SER 2 -31.785 26.276 7.401 12 HG SER 2 HG SER 2 -31.918 25.092 9.713 13 H SER 3 H SER 3 -30.874 25.267 4.406 14 HA SER 3 HA SER 3 -33.159 23.519 4.281 15 1HB SER 3 1HB SER 3 -32.441 25.984 3.073 16 2HB SER 3 2HB SER 3 -32.454 24.820 1.763 17 HG SER 3 HG SER 3 -34.581 25.861 3.245 18 H ILE 4 H ILE 4 -30.599 22.225 4.633 19 HA ILE 4 HA ILE 4 -30.489 20.778 2.094 20 HB ILE 4 HB ILE 4 -28.191 21.986 3.607 21 1HG1 ILE 4 1HG1 ILE 4 -28.429 21.918 0.630 22 2HG1 ILE 4 2HG1 ILE 4 -29.522 22.970 1.507 23 1HG2 ILE 4 1HG2 ILE 4 -28.276 19.399 2.204 24 2HG2 ILE 4 2HG2 ILE 4 -26.981 20.495 1.667 25 3HG2 ILE 4 3HG2 ILE 4 -27.105 20.037 3.382 26 1HD1 ILE 4 1HD1 ILE 4 -27.826 24.364 2.248 27 2HD1 ILE 4 2HD1 ILE 4 -26.635 23.043 2.332 28 3HD1 ILE 4 3HD1 ILE 4 -27.054 23.765 0.760 29 H VAL 5 H VAL 5 -29.053 20.747 5.438 30 HA VAL 5 HA VAL 5 -28.744 18.102 5.760 31 HB VAL 5 HB VAL 5 -29.757 20.165 7.720 32 1HG1 VAL 5 1HG1 VAL 5 -29.779 17.389 8.092 33 2HG1 VAL 5 2HG1 VAL 5 -28.301 17.948 8.912 34 3HG1 VAL 5 3HG1 VAL 5 -29.880 18.642 9.351 35 1HG2 VAL 5 1HG2 VAL 5 -27.015 19.150 6.945 36 2HG2 VAL 5 2HG2 VAL 5 -27.629 20.821 6.943 37 3HG2 VAL 5 3HG2 VAL 5 -27.315 19.990 8.485 38 H HIS 6 H HIS 6 -31.806 19.893 6.573 39 HA HIS 6 HA HIS 6 -33.353 17.853 7.331 40 1HB HIS 6 1HB HIS 6 -33.872 20.361 7.008 41 2HB HIS 6 2HB HIS 6 -34.382 19.922 5.390 42 HD1 HIS 6 1HD HIS 6 -35.050 17.997 8.635 43 HD2 HIS 6 2HD HIS 6 -37.114 20.042 5.609 44 HE1 HIS 6 1HE HIS 6 -37.534 17.637 9.095 45 HE2 HIS 6 2HE HIS 6 -38.752 18.962 7.235 46 H LEU 7 H LEU 7 -32.652 18.791 3.903 47 HA LEU 7 HA LEU 7 -34.231 16.748 2.792 48 1HB LEU 7 1HB LEU 7 -33.705 18.663 1.506 49 2HB LEU 7 2HB LEU 7 -31.982 18.457 1.750 50 HG LEU 7 HG LEU 7 -33.022 16.094 0.485 51 1HD1 LEU 7 1HD1 LEU 7 -33.444 18.348 -1.395 52 2HD1 LEU 7 2HD1 LEU 7 -34.263 16.772 -1.276 53 3HD1 LEU 7 3HD1 LEU 7 -34.706 18.092 -0.166 54 1HD2 LEU 7 1HD2 LEU 7 -31.375 18.030 -1.048 55 2HD2 LEU 7 2HD2 LEU 7 -30.700 17.447 0.492 56 3HD2 LEU 7 3HD2 LEU 7 -31.155 16.284 -0.776 57 H CYS 8 H CYS 8 -30.658 17.015 3.383 58 HA CYS 8 HA CYS 8 -29.927 14.587 2.408 59 1HB CYS 8 1HB CYS 8 -28.612 16.599 3.637 60 2HB CYS 8 2HB CYS 8 -28.617 15.435 4.947 61 HG CYS 8 HG CYS 8 -28.144 13.651 2.540 62 H ALA 9 H ALA 9 -31.719 15.437 5.349 63 HA ALA 9 HA ALA 9 -31.303 13.079 6.793 64 1HB ALA 9 1HB ALA 9 -33.882 14.644 6.869 65 2HB ALA 9 2HB ALA 9 -32.966 13.913 8.208 66 3HB ALA 9 3HB ALA 9 -32.367 15.395 7.425 67 H ILE 10 H ILE 10 -33.565 13.983 4.160 68 HA ILE 10 HA ILE 10 -35.027 11.528 4.410 69 HB ILE 10 HB ILE 10 -35.052 13.781 2.407 70 1HG1 ILE 10 1HG1 ILE 10 -35.898 14.335 4.643 71 2HG1 ILE 10 2HG1 ILE 10 -37.166 14.371 3.434 72 1HG2 ILE 10 1HG2 ILE 10 -35.869 12.214 0.999 73 2HG2 ILE 10 2HG2 ILE 10 -36.330 11.107 2.314 74 3HG2 ILE 10 3HG2 ILE 10 -37.366 12.499 1.919 75 1HD1 ILE 10 1HD1 ILE 10 -36.673 12.305 5.594 76 2HD1 ILE 10 2HD1 ILE 10 -38.173 13.181 5.204 77 3HD1 ILE 10 3HD1 ILE 10 -37.602 11.874 4.138 78 H SER 11 H SER 11 -32.895 12.968 1.836 79 HA SER 11 HA SER 11 -32.667 10.450 0.578 80 1HB SER 11 1HB SER 11 -31.112 11.607 -0.943 81 2HB SER 11 2HB SER 11 -32.550 12.574 -0.683 82 HG SER 11 HG SER 11 -31.235 13.679 1.068 83 H LEU 12 H LEU 12 -31.969 9.474 2.825 84 HA LEU 12 HA LEU 12 -29.153 9.025 2.659 85 1HB LEU 12 1HB LEU 12 -28.968 11.026 3.895 86 2HB LEU 12 2HB LEU 12 -30.305 10.605 4.947 87 HG LEU 12 HG LEU 12 -28.747 8.586 5.629 88 1HD1 LEU 12 1HD1 LEU 12 -27.018 10.148 3.926 89 2HD1 LEU 12 2HD1 LEU 12 -26.368 10.079 5.582 90 3HD1 LEU 12 3HD1 LEU 12 -26.730 8.573 4.705 91 1HD2 LEU 12 1HD2 LEU 12 -29.600 10.521 7.026 92 2HD2 LEU 12 2HD2 LEU 12 -28.056 9.797 7.537 93 3HD2 LEU 12 3HD2 LEU 12 -28.065 11.345 6.657 94 H ASP 13 H ASP 13 -31.926 8.808 5.006 95 HA ASP 13 HA ASP 13 -31.353 6.549 6.226 96 1HB ASP 13 1HB ASP 13 -33.455 7.895 6.499 97 2HB ASP 13 2HB ASP 13 -34.076 7.213 5.009 98 H ARG 14 H ARG 14 -32.914 6.853 2.958 99 HA ARG 14 HA ARG 14 -33.518 4.345 2.385 100 1HB ARG 14 1HB ARG 14 -33.633 6.433 0.877 101 2HB ARG 14 2HB ARG 14 -31.970 6.110 0.429 102 1HG ARG 14 1HG ARG 14 -32.614 4.518 -1.053 103 2HG ARG 14 2HG ARG 14 -33.496 3.652 0.189 104 1HD ARG 14 1HD ARG 14 -34.892 6.117 -0.656 105 2HD ARG 14 2HD ARG 14 -34.627 5.014 -1.992 106 HE ARG 14 HE ARG 14 -35.672 3.739 0.450 107 1HH1 ARG 14 1HH1 ARG 14 -38.770 3.125 -1.034 108 2HH1 ARG 14 2HH1 ARG 14 -37.745 2.787 0.321 109 1HH2 ARG 14 1HH2 ARG 14 -38.037 4.544 -2.718 110 2HH2 ARG 14 2HH2 ARG 14 -36.465 5.265 -2.620 111 H TYR 15 H TYR 15 -30.219 5.803 2.341 112 HA TYR 15 HA TYR 15 -29.111 3.153 1.738 113 1HB TYR 15 1HB TYR 15 -27.779 5.921 1.884 114 2HB TYR 15 2HB TYR 15 -27.140 4.504 1.075 115 HD1 TYR 15 1HD TYR 15 -28.870 7.547 0.621 116 HD2 TYR 15 2HD TYR 15 -28.647 3.551 -0.892 117 HE1 TYR 15 1HE TYR 15 -29.930 8.306 -1.562 118 HE2 TYR 15 2HE TYR 15 -29.708 4.324 -3.069 119 HH TYR 15 HH TYR 15 -30.918 7.611 -3.417 120 H TRP 16 H TRP 16 -30.145 3.318 4.303 121 HA TRP 16 HA TRP 16 -27.704 3.667 5.908 122 1HB TRP 16 1HB TRP 16 -29.261 5.381 6.515 123 2HB TRP 16 2HB TRP 16 -30.579 4.233 6.633 124 HD1 TRP 16 HD TRP 16 -31.138 3.879 9.153 125 HE1 TRP 16 1HE TRP 16 -29.869 3.614 11.451 126 HE3 TRP 16 3HE TRP 16 -26.466 4.497 7.244 127 HZ2 TRP 16 2HZ TRP 16 -27.115 3.691 12.196 128 HZ3 TRP 16 3HZ TRP 16 -24.542 4.388 8.825 129 HH2 TRP 16 HH TRP 16 -24.809 4.001 11.223 130 H SER 17 H SER 17 -30.994 2.129 6.184 131 HA SER 17 HA SER 17 -30.281 0.066 7.743 132 1HB SER 17 1HB SER 17 -32.575 0.822 6.525 133 2HB SER 17 2HB SER 17 -32.186 -0.547 5.504 134 HG SER 17 HG SER 17 -33.182 -0.519 8.074 135 H ILE 18 H ILE 18 -30.325 0.091 4.105 136 HA ILE 18 HA ILE 18 -29.450 -2.471 3.688 137 HB ILE 18 HB ILE 18 -28.981 0.064 2.125 138 1HG1 ILE 18 1HG1 ILE 18 -30.905 -2.168 1.484 139 2HG1 ILE 18 2HG1 ILE 18 -31.346 -0.884 2.591 140 1HG2 ILE 18 1HG2 ILE 18 -27.986 -2.677 1.668 141 2HG2 ILE 18 2HG2 ILE 18 -28.801 -1.920 0.279 142 3HG2 ILE 18 3HG2 ILE 18 -27.407 -1.116 1.039 143 1HD1 ILE 18 1HD1 ILE 18 -30.960 -0.792 -0.358 144 2HD1 ILE 18 2HD1 ILE 18 -32.015 0.193 0.683 145 3HD1 ILE 18 3HD1 ILE 18 -30.288 0.595 0.532 146 H THR 19 H THR 19 -27.376 0.516 3.819 147 HA THR 19 HA THR 19 -24.932 -0.586 3.619 148 HB THR 19 HB THR 19 -25.959 1.626 5.468 149 HG1 THR 19 1HG THR 19 -24.997 2.804 3.557 150 1HG2 THR 19 1HG2 THR 19 -23.157 0.683 4.786 151 2HG2 THR 19 2HG2 THR 19 -23.471 2.428 4.944 152 3HG2 THR 19 3HG2 THR 19 -23.771 1.342 6.322 153 H GLN 20 H GLN 20 -26.640 -0.216 6.803 154 HA GLN 20 HA GLN 20 -24.816 -1.464 8.326 155 1HB GLN 20 1HB GLN 20 -27.110 -0.382 8.930 156 2HB GLN 20 2HB GLN 20 -27.785 -1.982 8.696 157 1HG GLN 20 1HG GLN 20 -25.331 -1.891 10.395 158 2HG GLN 20 2HG GLN 20 -26.728 -1.079 11.074 159 1HE2 GLN 20 1HE2 GLN 20 -28.675 -2.230 11.387 160 2HE2 GLN 20 2HE2 GLN 20 -28.698 -3.951 11.584 161 H ALA 21 H ALA 21 -27.643 -3.089 6.705 162 HA ALA 21 HA ALA 21 -26.181 -5.618 7.000 163 1HB ALA 21 1HB ALA 21 -29.113 -4.881 6.862 164 2HB ALA 21 2HB ALA 21 -28.562 -6.534 6.497 165 3HB ALA 21 3HB ALA 21 -28.253 -5.827 8.101 166 H ILE 22 H ILE 22 -24.925 -4.447 5.094 167 HA ILE 22 HA ILE 22 -26.331 -4.559 2.586 168 HB ILE 22 HB ILE 22 -24.417 -2.959 3.453 169 1HG1 ILE 22 1HG1 ILE 22 -24.421 -3.884 0.572 170 2HG1 ILE 22 2HG1 ILE 22 -25.732 -2.955 1.270 171 1HG2 ILE 22 1HG2 ILE 22 -22.221 -3.542 2.707 172 2HG2 ILE 22 2HG2 ILE 22 -22.813 -4.855 3.753 173 3HG2 ILE 22 3HG2 ILE 22 -22.806 -5.060 1.985 174 1HD1 ILE 22 1HD1 ILE 22 -23.667 -1.406 2.096 175 2HD1 ILE 22 2HD1 ILE 22 -22.926 -2.111 0.639 176 3HD1 ILE 22 3HD1 ILE 22 -24.446 -1.194 0.510 177 H GLU 23 H GLU 23 -23.825 -6.434 4.373 178 HA GLU 23 HA GLU 23 -23.167 -8.156 2.353 179 1HB GLU 23 1HB GLU 23 -22.465 -7.840 4.996 180 2HB GLU 23 2HB GLU 23 -23.346 -9.353 5.075 181 1HG GLU 23 1HG GLU 23 -21.134 -10.047 4.601 182 2HG GLU 23 2HG GLU 23 -21.908 -10.096 3.030 183 H TYR 24 H TYR 24 -26.136 -7.865 4.180 184 HA TYR 24 HA TYR 24 -27.085 -10.462 4.125 185 1HB TYR 24 1HB TYR 24 -28.117 -8.491 5.287 186 2HB TYR 24 2HB TYR 24 -28.381 -7.692 3.749 187 HD1 TYR 24 1HD TYR 24 -30.559 -7.691 2.970 188 HD2 TYR 24 2HD TYR 24 -29.224 -11.001 5.329 189 HE1 TYR 24 1HE TYR 24 -32.876 -8.729 2.837 190 HE2 TYR 24 2HE TYR 24 -31.546 -12.028 5.188 191 HH TYR 24 HH TYR 24 -33.528 -11.742 3.301 192 H ASN 25 H ASN 25 -26.931 -7.975 1.552 193 HA ASN 25 HA ASN 25 -27.752 -10.057 -0.287 194 1HB ASN 25 1HB ASN 25 -29.233 -7.583 0.323 195 2HB ASN 25 2HB ASN 25 -28.794 -7.647 -1.372 196 1HD2 ASN 25 1HD2 ASN 25 -30.456 -9.272 1.250 197 2HD2 ASN 25 2HD2 ASN 25 -31.485 -10.287 0.295 198 H LEU 26 H LEU 26 -25.372 -10.058 -0.716 199 HA LEU 26 HA LEU 26 -24.555 -7.706 -2.274 200 1HB LEU 26 1HB LEU 26 -23.262 -7.559 -0.354 201 2HB LEU 26 2HB LEU 26 -23.073 -9.296 -0.213 202 HG LEU 26 HG LEU 26 -21.616 -9.253 -2.253 203 1HD1 LEU 26 1HD1 LEU 26 -20.609 -6.891 -2.684 204 2HD1 LEU 26 2HD1 LEU 26 -22.144 -7.352 -3.459 205 3HD1 LEU 26 3HD1 LEU 26 -22.153 -6.307 -2.019 206 1HD2 LEU 26 1HD2 LEU 26 -19.666 -8.655 -1.083 207 2HD2 LEU 26 2HD2 LEU 26 -20.521 -7.445 -0.097 208 3HD2 LEU 26 3HD2 LEU 26 -20.819 -9.180 0.167 209 H LYS 27 H LYS 27 -23.353 -11.085 -1.691 210 HA LYS 27 HA LYS 27 -23.706 -11.548 -4.562 211 1HB LYS 27 1HB LYS 27 -21.194 -11.696 -2.954 212 2HB LYS 27 2HB LYS 27 -21.454 -12.935 -4.164 213 1HG LYS 27 1HG LYS 27 -20.715 -11.460 -5.721 214 2HG LYS 27 2HG LYS 27 -22.193 -10.552 -5.476 215 1HD LYS 27 1HD LYS 27 -21.144 -8.909 -4.260 216 2HD LYS 27 2HD LYS 27 -20.133 -10.050 -3.395 217 1HE LYS 27 1HE LYS 27 -19.246 -10.146 -6.104 218 2HE LYS 27 2HE LYS 27 -19.488 -8.447 -5.749 219 1HZ LYS 27 1HZ LYS 27 -18.263 -9.515 -3.546 220 2HZ LYS 27 2HZ LYS 27 -17.470 -10.153 -4.823 221 3HZ LYS 27 3HZ LYS 27 -17.591 -8.532 -4.664 222 H ARG 28 H ARG 28 -25.699 -12.616 -3.898 223 HA ARG 28 HA ARG 28 -25.360 -14.882 -2.178 224 1HB ARG 28 1HB ARG 28 -27.824 -15.134 -2.434 225 2HB ARG 28 2HB ARG 28 -27.408 -13.490 -1.993 226 1HG ARG 28 1HG ARG 28 -27.645 -12.736 -4.314 227 2HG ARG 28 2HG ARG 28 -27.846 -14.383 -4.879 228 1HD ARG 28 1HD ARG 28 -29.783 -13.805 -2.763 229 2HD ARG 28 2HD ARG 28 -29.892 -12.596 -4.027 230 HE ARG 28 HE ARG 28 -29.802 -14.896 -5.501 231 1HH1 ARG 28 1HH1 ARG 28 -32.977 -16.278 -5.068 232 2HH1 ARG 28 2HH1 ARG 28 -31.570 -16.224 -6.077 233 1HH2 ARG 28 1HH2 ARG 28 -33.066 -15.001 -3.132 234 2HH2 ARG 28 2HH2 ARG 28 -31.726 -13.995 -2.696 235 H THR 29 H THR 29 -26.327 -17.070 -2.928 236 HA THR 29 HA THR 29 -25.922 -18.824 -4.277 237 HB THR 29 HB THR 29 -27.490 -16.902 -6.075 238 HG1 THR 29 1HG THR 29 -28.189 -17.679 -3.812 239 1HG2 THR 29 1HG2 THR 29 -26.420 -19.125 -7.108 240 2HG2 THR 29 2HG2 THR 29 -27.688 -19.925 -6.149 241 3HG2 THR 29 3HG2 THR 29 -28.134 -18.744 -7.403 242 HA PRO 30 HA PRO 30 -22.337 -17.087 -6.409 243 1HB PRO 30 1HB PRO 30 -20.385 -18.311 -4.939 244 2HB PRO 30 2HB PRO 30 -20.945 -16.682 -4.620 245 1HG PRO 30 1HG PRO 30 -21.520 -19.165 -3.123 246 2HG PRO 30 2HG PRO 30 -21.705 -17.502 -2.603 247 1HD PRO 30 1HD PRO 30 -23.795 -19.283 -3.431 248 2HD PRO 30 2HD PRO 30 -23.964 -17.587 -3.022 249 H ARG 31 H ARG 31 -21.554 -17.919 -8.260 250 HA ARG 31 HA ARG 31 -21.882 -20.803 -8.383 251 1HB ARG 31 1HB ARG 31 -23.012 -18.983 -10.029 252 2HB ARG 31 2HB ARG 31 -21.473 -19.116 -10.857 253 1HG ARG 31 1HG ARG 31 -22.112 -21.788 -10.379 254 2HG ARG 31 2HG ARG 31 -23.689 -21.080 -10.670 255 1HD ARG 31 1HD ARG 31 -23.270 -20.820 -12.899 256 2HD ARG 31 2HD ARG 31 -21.711 -20.078 -12.601 257 HE ARG 31 HE ARG 31 -21.178 -22.703 -12.037 258 1HH1 ARG 31 1HH1 ARG 31 -21.030 -24.196 -15.188 259 2HH1 ARG 31 2HH1 ARG 31 -20.551 -24.318 -13.527 260 1HH2 ARG 31 1HH2 ARG 31 -22.307 -22.393 -15.898 261 2HH2 ARG 31 2HH2 ARG 31 -22.782 -21.169 -14.767 262 H ARG 32 H ARG 32 -20.003 -21.996 -8.350 263 HA ARG 32 HA ARG 32 -17.741 -20.955 -9.774 264 1HB ARG 32 1HB ARG 32 -17.887 -20.580 -6.991 265 2HB ARG 32 2HB ARG 32 -16.912 -22.028 -7.142 266 1HG ARG 32 1HG ARG 32 -15.194 -20.930 -8.303 267 2HG ARG 32 2HG ARG 32 -16.267 -19.709 -8.959 268 1HD ARG 32 1HD ARG 32 -16.419 -18.570 -6.803 269 2HD ARG 32 2HD ARG 32 -15.594 -19.883 -5.986 270 HE ARG 32 HE ARG 32 -14.058 -18.643 -8.176 271 1HH1 ARG 32 1HH1 ARG 32 -11.760 -17.251 -5.948 272 2HH1 ARG 32 2HH1 ARG 32 -12.109 -17.593 -7.610 273 1HH2 ARG 32 1HH2 ARG 32 -13.272 -17.861 -4.296 274 2HH2 ARG 32 2HH2 ARG 32 -14.749 -18.657 -4.725 Start of MODEL 2 1 H THR 1 H THR 1 -27.159 26.412 7.076 2 HA THR 1 HA THR 1 -25.462 24.417 5.844 3 HB THR 1 HB THR 1 -25.463 25.911 8.516 4 HG1 THR 1 1HG THR 1 -24.771 27.252 6.829 5 1HG2 THR 1 1HG2 THR 1 -23.033 24.516 7.410 6 2HG2 THR 1 2HG2 THR 1 -23.460 24.865 9.103 7 3HG2 THR 1 3HG2 THR 1 -24.231 23.504 8.252 8 H SER 2 H SER 2 -27.527 24.629 8.820 9 HA SER 2 HA SER 2 -27.357 21.763 9.002 10 1HB SER 2 1HB SER 2 -27.157 23.245 11.028 11 2HB SER 2 2HB SER 2 -28.815 23.759 10.790 12 HG SER 2 HG SER 2 -28.452 20.964 10.841 13 H SER 3 H SER 3 -28.923 23.503 6.887 14 HA SER 3 HA SER 3 -31.554 22.385 7.421 15 1HB SER 3 1HB SER 3 -31.236 24.890 6.936 16 2HB SER 3 2HB SER 3 -30.815 24.438 5.296 17 HG SER 3 HG SER 3 -33.183 24.980 5.911 18 H ILE 4 H ILE 4 -28.725 22.307 5.296 19 HA ILE 4 HA ILE 4 -30.050 20.911 3.182 20 HB ILE 4 HB ILE 4 -27.163 21.513 3.807 21 1HG1 ILE 4 1HG1 ILE 4 -28.538 23.446 3.200 22 2HG1 ILE 4 2HG1 ILE 4 -27.342 23.092 1.969 23 1HG2 ILE 4 1HG2 ILE 4 -28.370 19.802 1.668 24 2HG2 ILE 4 2HG2 ILE 4 -26.959 20.815 1.278 25 3HG2 ILE 4 3HG2 ILE 4 -26.852 19.603 2.577 26 1HD1 ILE 4 1HD1 ILE 4 -30.278 23.050 1.784 27 2HD1 ILE 4 2HD1 ILE 4 -29.063 23.129 0.485 28 3HD1 ILE 4 3HD1 ILE 4 -29.539 21.553 1.164 29 H VAL 5 H VAL 5 -27.484 19.975 5.588 30 HA VAL 5 HA VAL 5 -27.324 17.345 5.095 31 HB VAL 5 HB VAL 5 -27.387 18.802 7.739 32 1HG1 VAL 5 1HG1 VAL 5 -27.214 16.870 8.837 33 2HG1 VAL 5 2HG1 VAL 5 -27.445 15.988 7.309 34 3HG1 VAL 5 3HG1 VAL 5 -25.804 16.414 7.851 35 1HG2 VAL 5 1HG2 VAL 5 -25.061 19.007 7.543 36 2HG2 VAL 5 2HG2 VAL 5 -24.958 17.747 6.291 37 3HG2 VAL 5 3HG2 VAL 5 -25.653 19.337 5.897 38 H HIS 6 H HIS 6 -29.711 18.801 7.425 39 HA HIS 6 HA HIS 6 -31.072 16.610 8.117 40 1HB HIS 6 1HB HIS 6 -31.592 18.763 9.028 41 2HB HIS 6 2HB HIS 6 -32.111 19.375 7.470 42 HD1 HIS 6 1HD HIS 6 -34.586 19.627 7.443 43 HD2 HIS 6 2HD HIS 6 -33.385 16.220 9.574 44 HE1 HIS 6 1HE HIS 6 -36.728 18.485 8.231 45 HE2 HIS 6 2HE HIS 6 -35.927 16.370 9.488 46 H LEU 7 H LEU 7 -31.924 18.640 5.218 47 HA LEU 7 HA LEU 7 -33.885 17.032 4.215 48 1HB LEU 7 1HB LEU 7 -32.868 19.341 3.488 49 2HB LEU 7 2HB LEU 7 -31.937 18.359 2.375 50 HG LEU 7 HG LEU 7 -34.855 17.831 2.403 51 1HD1 LEU 7 1HD1 LEU 7 -34.538 20.372 2.668 52 2HD1 LEU 7 2HD1 LEU 7 -33.909 20.325 1.003 53 3HD1 LEU 7 3HD1 LEU 7 -35.569 19.781 1.343 54 1HD2 LEU 7 1HD2 LEU 7 -33.018 16.847 0.870 55 2HD2 LEU 7 2HD2 LEU 7 -34.559 17.365 0.146 56 3HD2 LEU 7 3HD2 LEU 7 -33.120 18.404 0.013 57 H CYS 8 H CYS 8 -30.380 16.939 3.242 58 HA CYS 8 HA CYS 8 -30.463 14.804 1.611 59 1HB CYS 8 1HB CYS 8 -28.410 16.057 3.309 60 2HB CYS 8 2HB CYS 8 -28.093 14.368 2.963 61 HG CYS 8 HG CYS 8 -26.907 15.143 1.008 62 H ALA 9 H ALA 9 -30.857 14.933 5.135 63 HA ALA 9 HA ALA 9 -30.526 12.091 5.460 64 1HB ALA 9 1HB ALA 9 -30.472 14.420 7.096 65 2HB ALA 9 2HB ALA 9 -31.806 13.402 7.689 66 3HB ALA 9 3HB ALA 9 -30.159 12.736 7.579 67 H ILE 10 H ILE 10 -32.282 12.143 3.490 68 HA ILE 10 HA ILE 10 -34.714 11.280 4.782 69 HB ILE 10 HB ILE 10 -34.677 13.560 2.806 70 1HG1 ILE 10 1HG1 ILE 10 -35.535 13.335 5.700 71 2HG1 ILE 10 2HG1 ILE 10 -34.264 14.341 5.033 72 1HG2 ILE 10 1HG2 ILE 10 -36.434 12.072 2.137 73 2HG2 ILE 10 2HG2 ILE 10 -36.997 11.897 3.816 74 3HG2 ILE 10 3HG2 ILE 10 -37.163 13.460 2.980 75 1HD1 ILE 10 1HD1 ILE 10 -37.222 14.749 5.004 76 2HD1 ILE 10 2HD1 ILE 10 -35.908 15.948 5.074 77 3HD1 ILE 10 3HD1 ILE 10 -36.361 15.213 3.517 78 H SER 11 H SER 11 -33.243 12.091 1.556 79 HA SER 11 HA SER 11 -34.517 9.907 0.336 80 1HB SER 11 1HB SER 11 -33.118 12.189 -0.503 81 2HB SER 11 2HB SER 11 -32.080 10.872 -1.010 82 HG SER 11 HG SER 11 -33.790 9.966 -2.222 83 H LEU 12 H LEU 12 -31.240 10.525 1.705 84 HA LEU 12 HA LEU 12 -30.088 8.128 0.810 85 1HB LEU 12 1HB LEU 12 -28.627 9.829 1.408 86 2HB LEU 12 2HB LEU 12 -29.449 10.156 2.921 87 HG LEU 12 HG LEU 12 -28.648 7.829 3.672 88 1HD1 LEU 12 1HD1 LEU 12 -27.480 6.555 2.287 89 2HD1 LEU 12 2HD1 LEU 12 -27.690 7.774 1.007 90 3HD1 LEU 12 3HD1 LEU 12 -26.269 7.843 2.077 91 1HD2 LEU 12 1HD2 LEU 12 -27.727 10.212 4.233 92 2HD2 LEU 12 2HD2 LEU 12 -26.802 8.760 4.688 93 3HD2 LEU 12 3HD2 LEU 12 -26.339 9.695 3.245 94 H ASP 13 H ASP 13 -31.700 9.059 3.918 95 HA ASP 13 HA ASP 13 -31.304 6.848 5.346 96 1HB ASP 13 1HB ASP 13 -32.984 9.032 5.506 97 2HB ASP 13 2HB ASP 13 -34.153 7.745 5.290 98 H ARG 14 H ARG 14 -33.911 7.405 2.867 99 HA ARG 14 HA ARG 14 -35.236 5.070 3.110 100 1HB ARG 14 1HB ARG 14 -35.648 7.127 1.545 101 2HB ARG 14 2HB ARG 14 -34.623 6.300 0.388 102 1HG ARG 14 1HG ARG 14 -36.170 4.248 0.689 103 2HG ARG 14 2HG ARG 14 -37.260 5.313 1.557 104 1HD ARG 14 1HD ARG 14 -36.284 6.307 -1.103 105 2HD ARG 14 2HD ARG 14 -37.378 4.939 -1.145 106 HE ARG 14 HE ARG 14 -39.121 6.302 -0.313 107 1HH1 ARG 14 1HH1 ARG 14 -39.081 9.724 0.370 108 2HH1 ARG 14 2HH1 ARG 14 -40.078 8.325 0.149 109 1HH2 ARG 14 1HH2 ARG 14 -36.773 9.543 0.198 110 2HH2 ARG 14 2HH2 ARG 14 -36.048 8.010 -0.152 111 H TYR 15 H TYR 15 -32.239 5.782 1.222 112 HA TYR 15 HA TYR 15 -32.040 2.929 0.569 113 1HB TYR 15 1HB TYR 15 -30.326 5.282 -0.394 114 2HB TYR 15 2HB TYR 15 -30.590 3.762 -1.223 115 HD1 TYR 15 1HD TYR 15 -31.252 7.085 -1.505 116 HD2 TYR 15 2HD TYR 15 -33.365 3.365 -1.510 117 HE1 TYR 15 1HE TYR 15 -33.126 8.143 -2.860 118 HE2 TYR 15 2HE TYR 15 -35.232 4.436 -2.864 119 HH TYR 15 HH TYR 15 -36.027 7.097 -3.042 120 H TRP 16 H TRP 16 -31.547 3.693 3.281 121 HA TRP 16 HA TRP 16 -28.617 3.448 3.376 122 1HB TRP 16 1HB TRP 16 -28.978 5.465 4.402 123 2HB TRP 16 2HB TRP 16 -30.547 5.005 5.033 124 HD1 TRP 16 HD TRP 16 -30.579 4.236 7.552 125 HE1 TRP 16 1HE TRP 16 -28.829 3.700 9.453 126 HE3 TRP 16 3HE TRP 16 -26.477 4.411 4.551 127 HZ2 TRP 16 2HZ TRP 16 -25.989 3.415 9.487 128 HZ3 TRP 16 3HZ TRP 16 -24.254 3.992 5.598 129 HH2 TRP 16 HH TRP 16 -23.972 3.508 7.977 130 H SER 17 H SER 17 -31.581 2.796 5.394 131 HA SER 17 HA SER 17 -30.667 0.860 6.942 132 1HB SER 17 1HB SER 17 -33.186 1.805 6.200 133 2HB SER 17 2HB SER 17 -33.279 0.107 5.780 134 HG SER 17 HG SER 17 -32.456 -0.336 8.009 135 H ILE 18 H ILE 18 -32.030 0.328 3.609 136 HA ILE 18 HA ILE 18 -31.729 -2.377 3.459 137 HB ILE 18 HB ILE 18 -31.362 -0.283 1.314 138 1HG1 ILE 18 1HG1 ILE 18 -33.841 -1.914 1.602 139 2HG1 ILE 18 2HG1 ILE 18 -33.573 -0.656 2.792 140 1HG2 ILE 18 1HG2 ILE 18 -32.251 -3.056 0.675 141 2HG2 ILE 18 2HG2 ILE 18 -31.351 -1.878 -0.310 142 3HG2 ILE 18 3HG2 ILE 18 -30.519 -2.783 0.978 143 1HD1 ILE 18 1HD1 ILE 18 -34.337 -0.409 -0.026 144 2HD1 ILE 18 2HD1 ILE 18 -34.410 0.806 1.273 145 3HD1 ILE 18 3HD1 ILE 18 -32.905 0.579 0.351 146 H THR 19 H THR 19 -29.273 0.142 2.550 147 HA THR 19 HA THR 19 -27.249 -1.619 1.864 148 HB THR 19 HB THR 19 -27.247 1.200 3.058 149 HG1 THR 19 1HG THR 19 -27.036 -0.097 0.435 150 1HG2 THR 19 1HG2 THR 19 -24.995 -0.453 2.847 151 2HG2 THR 19 2HG2 THR 19 -25.026 0.381 1.275 152 3HG2 THR 19 3HG2 THR 19 -24.969 1.326 2.783 153 H GLN 20 H GLN 20 -28.283 -0.442 5.088 154 HA GLN 20 HA GLN 20 -26.047 -1.671 6.336 155 1HB GLN 20 1HB GLN 20 -27.262 0.376 7.206 156 2HB GLN 20 2HB GLN 20 -28.628 -0.649 7.600 157 1HG GLN 20 1HG GLN 20 -26.304 -1.931 8.689 158 2HG GLN 20 2HG GLN 20 -26.179 -0.233 9.105 159 1HE2 GLN 20 1HE2 GLN 20 -26.526 -2.174 11.008 160 2HE2 GLN 20 2HE2 GLN 20 -28.084 -2.034 11.753 161 H ALA 21 H ALA 21 -26.867 -3.717 4.889 162 HA ALA 21 HA ALA 21 -27.663 -5.640 6.788 163 1HB ALA 21 1HB ALA 21 -29.877 -5.948 6.387 164 2HB ALA 21 2HB ALA 21 -29.828 -4.267 5.805 165 3HB ALA 21 3HB ALA 21 -29.709 -5.613 4.647 166 H ILE 22 H ILE 22 -27.954 -4.949 3.225 167 HA ILE 22 HA ILE 22 -27.160 -7.506 2.447 168 HB ILE 22 HB ILE 22 -27.150 -4.833 1.058 169 1HG1 ILE 22 1HG1 ILE 22 -28.971 -7.235 0.735 170 2HG1 ILE 22 2HG1 ILE 22 -29.335 -5.851 1.746 171 1HG2 ILE 22 1HG2 ILE 22 -25.797 -7.245 0.258 172 2HG2 ILE 22 2HG2 ILE 22 -27.133 -6.894 -0.864 173 3HG2 ILE 22 3HG2 ILE 22 -25.881 -5.666 -0.559 174 1HD1 ILE 22 1HD1 ILE 22 -28.563 -4.721 -0.725 175 2HD1 ILE 22 2HD1 ILE 22 -29.567 -6.126 -1.154 176 3HD1 ILE 22 3HD1 ILE 22 -30.219 -4.858 -0.089 177 H GLU 23 H GLU 23 -25.171 -4.576 1.740 178 HA GLU 23 HA GLU 23 -22.836 -6.010 1.590 179 1HB GLU 23 1HB GLU 23 -23.474 -3.547 0.868 180 2HB GLU 23 2HB GLU 23 -22.856 -3.107 2.448 181 1HG GLU 23 1HG GLU 23 -20.661 -3.898 1.954 182 2HG GLU 23 2HG GLU 23 -21.214 -4.888 0.618 183 H TYR 24 H TYR 24 -24.617 -4.804 4.376 184 HA TYR 24 HA TYR 24 -22.584 -4.547 6.235 185 1HB TYR 24 1HB TYR 24 -24.968 -3.916 6.579 186 2HB TYR 24 2HB TYR 24 -25.487 -5.566 6.300 187 HD1 TYR 24 1HD TYR 24 -25.632 -7.123 8.086 188 HD2 TYR 24 2HD TYR 24 -23.620 -3.395 8.681 189 HE1 TYR 24 1HE TYR 24 -25.525 -7.572 10.586 190 HE2 TYR 24 2HE TYR 24 -23.520 -3.856 11.179 191 HH TYR 24 HH TYR 24 -23.551 -6.300 12.560 192 H ASN 25 H ASN 25 -24.356 -7.471 5.088 193 HA ASN 25 HA ASN 25 -22.360 -9.017 6.544 194 1HB ASN 25 1HB ASN 25 -24.965 -9.027 7.282 195 2HB ASN 25 2HB ASN 25 -25.092 -10.186 5.974 196 1HD2 ASN 25 1HD2 ASN 25 -23.211 -9.392 8.873 197 2HD2 ASN 25 2HD2 ASN 25 -22.861 -11.015 9.368 198 H LEU 26 H LEU 26 -21.583 -8.409 4.081 199 HA LEU 26 HA LEU 26 -22.751 -10.252 2.162 200 1HB LEU 26 1HB LEU 26 -21.815 -7.692 1.959 201 2HB LEU 26 2HB LEU 26 -20.437 -8.611 1.386 202 HG LEU 26 HG LEU 26 -22.096 -7.798 -0.358 203 1HD1 LEU 26 1HD1 LEU 26 -21.930 -9.863 -1.696 204 2HD1 LEU 26 2HD1 LEU 26 -20.403 -9.454 -0.877 205 3HD1 LEU 26 3HD1 LEU 26 -21.437 -10.754 -0.236 206 1HD2 LEU 26 1HD2 LEU 26 -23.784 -10.162 0.437 207 2HD2 LEU 26 2HD2 LEU 26 -24.085 -8.540 1.106 208 3HD2 LEU 26 3HD2 LEU 26 -24.174 -8.809 -0.651 209 H LYS 27 H LYS 27 -19.328 -9.347 2.973 210 HA LYS 27 HA LYS 27 -18.657 -12.167 2.601 211 1HB LYS 27 1HB LYS 27 -17.416 -9.671 1.868 212 2HB LYS 27 2HB LYS 27 -16.327 -10.578 2.899 213 1HG LYS 27 1HG LYS 27 -16.830 -12.629 1.414 214 2HG LYS 27 2HG LYS 27 -17.635 -11.529 0.313 215 1HD LYS 27 1HD LYS 27 -15.253 -10.196 0.708 216 2HD LYS 27 2HD LYS 27 -14.722 -11.858 0.874 217 1HE LYS 27 1HE LYS 27 -15.179 -12.381 -1.341 218 2HE LYS 27 2HE LYS 27 -16.560 -11.306 -1.428 219 1HZ LYS 27 1HZ LYS 27 -14.771 -10.439 -2.710 220 2HZ LYS 27 2HZ LYS 27 -14.999 -9.449 -1.431 221 3HZ LYS 27 3HZ LYS 27 -13.739 -10.487 -1.445 222 H ARG 28 H ARG 28 -19.932 -12.293 4.807 223 HA ARG 28 HA ARG 28 -17.852 -12.285 6.805 224 1HB ARG 28 1HB ARG 28 -19.653 -10.232 6.849 225 2HB ARG 28 2HB ARG 28 -20.575 -11.421 7.749 226 1HG ARG 28 1HG ARG 28 -17.672 -10.882 8.462 227 2HG ARG 28 2HG ARG 28 -18.935 -9.815 9.045 228 1HD ARG 28 1HD ARG 28 -19.897 -12.447 9.544 229 2HD ARG 28 2HD ARG 28 -18.203 -12.487 9.989 230 HE ARG 28 HE ARG 28 -20.325 -10.946 11.308 231 1HH1 ARG 28 1HH1 ARG 28 -18.118 -9.595 13.650 232 2HH1 ARG 28 2HH1 ARG 28 -19.781 -9.829 13.226 233 1HH2 ARG 28 1HH2 ARG 28 -16.443 -10.416 12.270 234 2HH2 ARG 28 2HH2 ARG 28 -16.855 -11.262 10.817 235 H THR 29 H THR 29 -18.041 -14.047 8.277 236 HA THR 29 HA THR 29 -20.436 -15.725 7.933 237 HB THR 29 HB THR 29 -18.494 -16.621 6.626 238 HG1 THR 29 1HG THR 29 -19.308 -18.515 7.427 239 1HG2 THR 29 1HG2 THR 29 -17.010 -17.493 9.022 240 2HG2 THR 29 2HG2 THR 29 -16.383 -16.809 7.503 241 3HG2 THR 29 3HG2 THR 29 -16.938 -15.728 8.803 242 HA PRO 30 HA PRO 30 -19.998 -14.850 12.280 243 1HB PRO 30 1HB PRO 30 -22.648 -14.414 12.785 244 2HB PRO 30 2HB PRO 30 -21.526 -13.130 12.383 245 1HG PRO 30 1HG PRO 30 -23.606 -14.371 10.688 246 2HG PRO 30 2HG PRO 30 -22.781 -12.840 10.470 247 1HD PRO 30 1HD PRO 30 -22.275 -15.280 9.048 248 2HD PRO 30 2HD PRO 30 -21.375 -13.782 8.914 249 H ARG 31 H ARG 31 -21.384 -15.777 14.251 250 HA ARG 31 HA ARG 31 -21.388 -18.586 13.613 251 1HB ARG 31 1HB ARG 31 -20.143 -17.644 15.631 252 2HB ARG 31 2HB ARG 31 -21.691 -17.220 16.334 253 1HG ARG 31 1HG ARG 31 -22.271 -19.783 15.870 254 2HG ARG 31 2HG ARG 31 -20.529 -19.969 15.830 255 1HD ARG 31 1HD ARG 31 -21.003 -18.362 18.111 256 2HD ARG 31 2HD ARG 31 -22.297 -19.544 18.140 257 HE ARG 31 HE ARG 31 -20.727 -21.235 18.568 258 1HH1 ARG 31 1HH1 ARG 31 -17.243 -21.091 18.709 259 2HH1 ARG 31 2HH1 ARG 31 -18.645 -22.056 19.031 260 1HH2 ARG 31 1HH2 ARG 31 -17.479 -18.966 17.807 261 2HH2 ARG 31 2HH2 ARG 31 -19.057 -18.344 17.456 262 H ARG 32 H ARG 32 -23.370 -19.221 12.751 263 HA ARG 32 HA ARG 32 -25.746 -18.007 13.786 264 1HB ARG 32 1HB ARG 32 -26.896 -19.244 11.992 265 2HB ARG 32 2HB ARG 32 -25.469 -18.468 11.335 266 1HG ARG 32 1HG ARG 32 -24.290 -20.782 11.938 267 2HG ARG 32 2HG ARG 32 -25.930 -21.401 11.920 268 1HD ARG 32 1HD ARG 32 -25.756 -19.804 9.586 269 2HD ARG 32 2HD ARG 32 -24.214 -20.633 9.662 270 HE ARG 32 HE ARG 32 -26.046 -22.646 10.201 271 1HH1 ARG 32 1HH1 ARG 32 -27.157 -23.443 6.990 272 2HH1 ARG 32 2HH1 ARG 32 -27.001 -23.996 8.624 273 1HH2 ARG 32 1HH2 ARG 32 -26.394 -21.331 6.403 274 2HH2 ARG 32 2HH2 ARG 32 -25.670 -20.308 7.599 Start of MODEL 3 1 H THR 1 H THR 1 -31.154 26.918 3.628 2 HA THR 1 HA THR 1 -28.383 25.959 3.366 3 HB THR 1 HB THR 1 -29.568 28.059 5.247 4 HG1 THR 1 1HG THR 1 -28.425 29.270 3.789 5 1HG2 THR 1 1HG2 THR 1 -27.966 27.542 6.790 6 2HG2 THR 1 2HG2 THR 1 -27.457 26.150 5.804 7 3HG2 THR 1 3HG2 THR 1 -26.720 27.748 5.536 8 H SER 2 H SER 2 -31.177 26.249 5.666 9 HA SER 2 HA SER 2 -30.321 23.732 6.792 10 1HB SER 2 1HB SER 2 -31.253 25.993 7.989 11 2HB SER 2 2HB SER 2 -32.768 25.133 7.804 12 HG SER 2 HG SER 2 -31.832 23.318 8.942 13 H SER 3 H SER 3 -31.796 24.361 4.056 14 HA SER 3 HA SER 3 -34.111 22.672 4.541 15 1HB SER 3 1HB SER 3 -34.135 25.012 3.288 16 2HB SER 3 2HB SER 3 -33.562 24.078 1.920 17 HG SER 3 HG SER 3 -35.954 23.467 3.439 18 H ILE 4 H ILE 4 -30.941 22.869 3.012 19 HA ILE 4 HA ILE 4 -31.435 20.588 1.310 20 HB ILE 4 HB ILE 4 -29.018 22.312 1.839 21 1HG1 ILE 4 1HG1 ILE 4 -30.885 23.351 0.582 22 2HG1 ILE 4 2HG1 ILE 4 -29.411 23.204 -0.355 23 1HG2 ILE 4 1HG2 ILE 4 -28.828 20.636 -0.517 24 2HG2 ILE 4 2HG2 ILE 4 -27.677 20.863 0.821 25 3HG2 ILE 4 3HG2 ILE 4 -28.979 19.658 0.962 26 1HD1 ILE 4 1HD1 ILE 4 -31.968 22.261 -1.080 27 2HD1 ILE 4 2HD1 ILE 4 -30.431 21.897 -1.901 28 3HD1 ILE 4 3HD1 ILE 4 -31.051 20.798 -0.645 29 H VAL 5 H VAL 5 -29.124 21.379 4.008 30 HA VAL 5 HA VAL 5 -28.084 18.930 4.420 31 HB VAL 5 HB VAL 5 -28.927 21.042 6.406 32 1HG1 VAL 5 1HG1 VAL 5 -27.576 20.015 8.077 33 2HG1 VAL 5 2HG1 VAL 5 -28.639 18.740 7.434 34 3HG1 VAL 5 3HG1 VAL 5 -26.935 18.818 6.925 35 1HG2 VAL 5 1HG2 VAL 5 -26.537 20.560 4.687 36 2HG2 VAL 5 2HG2 VAL 5 -27.303 22.086 5.187 37 3HG2 VAL 5 3HG2 VAL 5 -26.254 21.203 6.322 38 H HIS 6 H HIS 6 -31.054 20.168 6.124 39 HA HIS 6 HA HIS 6 -31.752 17.947 7.447 40 1HB HIS 6 1HB HIS 6 -32.889 20.313 7.117 41 2HB HIS 6 2HB HIS 6 -33.901 19.439 5.984 42 HD1 HIS 6 1HD HIS 6 -33.536 20.179 9.546 43 HD2 HIS 6 2HD HIS 6 -35.288 17.136 7.250 44 HE1 HIS 6 1HE HIS 6 -35.155 18.958 11.094 45 HE2 HIS 6 2HE HIS 6 -36.242 17.135 9.613 46 H LEU 7 H LEU 7 -32.504 18.663 3.976 47 HA LEU 7 HA LEU 7 -33.957 16.368 3.468 48 1HB LEU 7 1HB LEU 7 -33.165 18.579 2.077 49 2HB LEU 7 2HB LEU 7 -32.217 17.329 1.298 50 HG LEU 7 HG LEU 7 -35.085 16.687 1.690 51 1HD1 LEU 7 1HD1 LEU 7 -35.094 19.132 1.124 52 2HD1 LEU 7 2HD1 LEU 7 -34.300 18.716 -0.414 53 3HD1 LEU 7 3HD1 LEU 7 -35.924 18.084 -0.051 54 1HD2 LEU 7 1HD2 LEU 7 -34.717 16.018 -0.778 55 2HD2 LEU 7 2HD2 LEU 7 -32.991 16.289 -0.436 56 3HD2 LEU 7 3HD2 LEU 7 -33.903 15.078 0.496 57 H CYS 8 H CYS 8 -30.453 16.930 2.659 58 HA CYS 8 HA CYS 8 -29.888 14.352 1.972 59 1HB CYS 8 1HB CYS 8 -28.328 16.713 2.815 60 2HB CYS 8 2HB CYS 8 -27.526 15.183 3.109 61 HG CYS 8 HG CYS 8 -27.187 16.638 0.668 62 H ALA 9 H ALA 9 -30.579 15.779 5.107 63 HA ALA 9 HA ALA 9 -29.245 13.855 6.697 64 1HB ALA 9 1HB ALA 9 -30.654 16.275 7.047 65 2HB ALA 9 2HB ALA 9 -31.585 15.052 7.944 66 3HB ALA 9 3HB ALA 9 -29.860 15.300 8.307 67 H ILE 10 H ILE 10 -32.479 14.114 5.172 68 HA ILE 10 HA ILE 10 -33.390 11.732 6.518 69 HB ILE 10 HB ILE 10 -34.636 13.474 4.390 70 1HG1 ILE 10 1HG1 ILE 10 -34.199 14.482 6.682 71 2HG1 ILE 10 2HG1 ILE 10 -35.850 14.538 6.096 72 1HG2 ILE 10 1HG2 ILE 10 -36.558 11.952 5.845 73 2HG2 ILE 10 2HG2 ILE 10 -36.197 11.928 4.103 74 3HG2 ILE 10 3HG2 ILE 10 -35.327 10.836 5.207 75 1HD1 ILE 10 1HD1 ILE 10 -35.077 12.119 7.696 76 2HD1 ILE 10 2HD1 ILE 10 -35.232 13.660 8.572 77 3HD1 ILE 10 3HD1 ILE 10 -36.616 13.012 7.659 78 H SER 11 H SER 11 -32.644 12.758 3.115 79 HA SER 11 HA SER 11 -33.110 10.451 1.852 80 1HB SER 11 1HB SER 11 -30.858 12.459 1.464 81 2HB SER 11 2HB SER 11 -31.113 11.133 0.347 82 HG SER 11 HG SER 11 -32.232 13.410 0.070 83 H LEU 12 H LEU 12 -30.210 11.316 3.814 84 HA LEU 12 HA LEU 12 -28.615 9.160 3.191 85 1HB LEU 12 1HB LEU 12 -27.634 10.890 4.372 86 2HB LEU 12 2HB LEU 12 -28.909 10.946 5.574 87 HG LEU 12 HG LEU 12 -28.106 8.764 6.480 88 1HD1 LEU 12 1HD1 LEU 12 -26.021 9.116 4.334 89 2HD1 LEU 12 2HD1 LEU 12 -25.695 8.172 5.808 90 3HD1 LEU 12 3HD1 LEU 12 -27.017 7.691 4.716 91 1HD2 LEU 12 1HD2 LEU 12 -27.095 11.327 6.869 92 2HD2 LEU 12 2HD2 LEU 12 -26.897 9.922 7.944 93 3HD2 LEU 12 3HD2 LEU 12 -25.649 10.298 6.731 94 H ASP 13 H ASP 13 -30.847 9.459 6.051 95 HA ASP 13 HA ASP 13 -30.610 7.051 7.090 96 1HB ASP 13 1HB ASP 13 -32.352 9.053 7.466 97 2HB ASP 13 2HB ASP 13 -33.425 8.015 6.548 98 H ARG 14 H ARG 14 -32.780 7.929 4.299 99 HA ARG 14 HA ARG 14 -34.042 5.669 3.825 100 1HB ARG 14 1HB ARG 14 -33.534 7.965 2.372 101 2HB ARG 14 2HB ARG 14 -32.741 6.769 1.367 102 1HG ARG 14 1HG ARG 14 -35.007 5.401 1.737 103 2HG ARG 14 2HG ARG 14 -35.665 6.982 2.110 104 1HD ARG 14 1HD ARG 14 -33.975 6.872 -0.354 105 2HD ARG 14 2HD ARG 14 -35.467 5.957 -0.439 106 HE ARG 14 HE ARG 14 -36.340 8.338 0.603 107 1HH1 ARG 14 1HH1 ARG 14 -36.309 10.476 -2.155 108 2HH1 ARG 14 2HH1 ARG 14 -36.972 10.187 -0.581 109 1HH2 ARG 14 1HH2 ARG 14 -34.779 8.984 -3.061 110 2HH2 ARG 14 2HH2 ARG 14 -34.300 7.583 -2.163 111 H TYR 15 H TYR 15 -30.589 6.350 3.038 112 HA TYR 15 HA TYR 15 -30.270 3.684 1.925 113 1HB TYR 15 1HB TYR 15 -28.304 5.985 2.503 114 2HB TYR 15 2HB TYR 15 -27.992 4.632 1.434 115 HD1 TYR 15 1HD TYR 15 -29.514 4.392 -0.655 116 HD2 TYR 15 2HD TYR 15 -29.233 7.976 1.664 117 HE1 TYR 15 1HE TYR 15 -30.425 5.737 -2.611 118 HE2 TYR 15 2HE TYR 15 -30.145 9.309 -0.299 119 HH TYR 15 HH TYR 15 -30.129 8.318 -3.311 120 H TRP 16 H TRP 16 -31.057 3.429 4.560 121 HA TRP 16 HA TRP 16 -28.522 2.876 5.946 122 1HB TRP 16 1HB TRP 16 -29.732 4.516 7.161 123 2HB TRP 16 2HB TRP 16 -31.241 3.640 7.001 124 HD1 TRP 16 HD TRP 16 -31.865 2.581 9.296 125 HE1 TRP 16 1HE TRP 16 -30.667 1.419 11.340 126 HE3 TRP 16 3HE TRP 16 -27.143 3.039 7.465 127 HZ2 TRP 16 2HZ TRP 16 -27.941 0.835 11.948 128 HZ3 TRP 16 3HZ TRP 16 -25.270 2.147 8.847 129 HH2 TRP 16 HH TRP 16 -25.609 1.075 11.017 130 H SER 17 H SER 17 -31.980 1.784 5.596 131 HA SER 17 HA SER 17 -31.521 -0.745 6.596 132 1HB SER 17 1HB SER 17 -33.737 0.606 5.970 133 2HB SER 17 2HB SER 17 -33.604 -0.275 4.461 134 HG SER 17 HG SER 17 -34.880 -1.510 5.882 135 H ILE 18 H ILE 18 -31.669 0.462 3.170 136 HA ILE 18 HA ILE 18 -31.281 -1.906 1.868 137 HB ILE 18 HB ILE 18 -30.261 0.853 1.189 138 1HG1 ILE 18 1HG1 ILE 18 -32.644 -0.352 -0.125 139 2HG1 ILE 18 2HG1 ILE 18 -32.837 0.141 1.546 140 1HG2 ILE 18 1HG2 ILE 18 -29.705 0.174 -0.923 141 2HG2 ILE 18 2HG2 ILE 18 -29.264 -1.283 -0.001 142 3HG2 ILE 18 3HG2 ILE 18 -30.805 -1.224 -0.890 143 1HD1 ILE 18 1HD1 ILE 18 -32.132 2.417 1.043 144 2HD1 ILE 18 2HD1 ILE 18 -31.659 1.952 -0.609 145 3HD1 ILE 18 3HD1 ILE 18 -33.377 1.953 -0.142 146 H THR 19 H THR 19 -28.714 0.392 3.023 147 HA THR 19 HA THR 19 -26.510 -1.010 2.252 148 HB THR 19 HB THR 19 -27.156 0.720 4.680 149 HG1 THR 19 1HG THR 19 -26.797 2.088 2.976 150 1HG2 THR 19 1HG2 THR 19 -24.603 -0.728 3.952 151 2HG2 THR 19 2HG2 THR 19 -24.481 0.964 4.491 152 3HG2 THR 19 3HG2 THR 19 -25.210 -0.259 5.558 153 H GLN 20 H GLN 20 -28.421 -1.518 5.282 154 HA GLN 20 HA GLN 20 -26.816 -3.446 6.345 155 1HB GLN 20 1HB GLN 20 -28.850 -2.302 7.385 156 2HB GLN 20 2HB GLN 20 -29.860 -3.425 6.497 157 1HG GLN 20 1HG GLN 20 -28.479 -5.320 7.589 158 2HG GLN 20 2HG GLN 20 -27.792 -4.094 8.635 159 1HE2 GLN 20 1HE2 GLN 20 -30.726 -5.727 7.630 160 2HE2 GLN 20 2HE2 GLN 20 -31.694 -5.369 9.021 161 H ALA 21 H ALA 21 -29.811 -3.976 4.338 162 HA ALA 21 HA ALA 21 -29.745 -6.667 4.130 163 1HB ALA 21 1HB ALA 21 -30.399 -5.734 1.548 164 2HB ALA 21 2HB ALA 21 -31.518 -6.043 2.897 165 3HB ALA 21 3HB ALA 21 -30.843 -4.414 2.657 166 H ILE 22 H ILE 22 -27.491 -4.322 2.740 167 HA ILE 22 HA ILE 22 -26.346 -6.305 0.973 168 HB ILE 22 HB ILE 22 -25.990 -3.383 1.472 169 1HG1 ILE 22 1HG1 ILE 22 -25.908 -4.058 -1.265 170 2HG1 ILE 22 2HG1 ILE 22 -27.126 -5.103 -0.562 171 1HG2 ILE 22 1HG2 ILE 22 -23.850 -5.249 0.660 172 2HG2 ILE 22 2HG2 ILE 22 -24.071 -3.833 -0.396 173 3HG2 ILE 22 3HG2 ILE 22 -23.757 -3.608 1.341 174 1HD1 ILE 22 1HD1 ILE 22 -28.479 -3.318 0.121 175 2HD1 ILE 22 2HD1 ILE 22 -27.110 -2.185 0.218 176 3HD1 ILE 22 3HD1 ILE 22 -27.765 -2.655 -1.368 177 H GLU 23 H GLU 23 -25.382 -4.382 3.895 178 HA GLU 23 HA GLU 23 -22.895 -5.305 4.234 179 1HB GLU 23 1HB GLU 23 -24.976 -4.164 5.919 180 2HB GLU 23 2HB GLU 23 -24.049 -5.333 6.838 181 1HG GLU 23 1HG GLU 23 -22.801 -3.091 5.180 182 2HG GLU 23 2HG GLU 23 -23.104 -2.981 6.902 183 H TYR 24 H TYR 24 -25.894 -7.126 4.513 184 HA TYR 24 HA TYR 24 -25.259 -9.156 6.210 185 1HB TYR 24 1HB TYR 24 -26.889 -8.630 3.757 186 2HB TYR 24 2HB TYR 24 -26.509 -10.330 3.948 187 HD1 TYR 24 1HD TYR 24 -27.941 -11.656 5.214 188 HD2 TYR 24 2HD TYR 24 -27.819 -7.445 5.960 189 HE1 TYR 24 1HE TYR 24 -29.847 -11.888 6.880 190 HE2 TYR 24 2HE TYR 24 -29.726 -7.692 7.624 191 HH TYR 24 HH TYR 24 -31.509 -9.159 8.110 192 H ASN 25 H ASN 25 -24.130 -8.641 2.839 193 HA ASN 25 HA ASN 25 -22.333 -10.889 3.290 194 1HB ASN 25 1HB ASN 25 -24.223 -10.374 1.055 195 2HB ASN 25 2HB ASN 25 -22.591 -10.696 0.502 196 1HD2 ASN 25 1HD2 ASN 25 -25.429 -11.939 2.010 197 2HD2 ASN 25 2HD2 ASN 25 -24.972 -13.607 2.111 198 H LEU 26 H LEU 26 -20.902 -9.029 4.052 199 HA LEU 26 HA LEU 26 -19.711 -7.676 1.736 200 1HB LEU 26 1HB LEU 26 -21.096 -6.104 2.989 201 2HB LEU 26 2HB LEU 26 -20.241 -6.498 4.467 202 HG LEU 26 HG LEU 26 -18.644 -5.493 2.145 203 1HD1 LEU 26 1HD1 LEU 26 -19.130 -3.138 3.245 204 2HD1 LEU 26 2HD1 LEU 26 -20.161 -3.794 1.951 205 3HD1 LEU 26 3HD1 LEU 26 -20.684 -3.909 3.648 206 1HD2 LEU 26 1HD2 LEU 26 -18.452 -5.430 5.146 207 2HD2 LEU 26 2HD2 LEU 26 -17.290 -6.048 3.947 208 3HD2 LEU 26 3HD2 LEU 26 -17.518 -4.293 4.144 209 H LYS 27 H LYS 27 -19.153 -8.352 5.269 210 HA LYS 27 HA LYS 27 -16.534 -9.409 4.476 211 1HB LYS 27 1HB LYS 27 -16.337 -7.096 5.392 212 2HB LYS 27 2HB LYS 27 -17.063 -7.649 6.888 213 1HG LYS 27 1HG LYS 27 -15.165 -8.765 7.561 214 2HG LYS 27 2HG LYS 27 -14.792 -9.327 5.943 215 1HD LYS 27 1HD LYS 27 -13.050 -7.799 6.319 216 2HD LYS 27 2HD LYS 27 -14.203 -6.805 5.450 217 1HE LYS 27 1HE LYS 27 -14.504 -6.894 8.438 218 2HE LYS 27 2HE LYS 27 -13.094 -6.056 7.822 219 1HZ LYS 27 1HZ LYS 27 -15.902 -5.434 7.400 220 2HZ LYS 27 2HZ LYS 27 -14.674 -4.438 7.808 221 3HZ LYS 27 3HZ LYS 27 -14.816 -4.972 6.271 222 H ARG 28 H ARG 28 -18.200 -11.327 4.484 223 HA ARG 28 HA ARG 28 -18.792 -12.186 7.153 224 1HB ARG 28 1HB ARG 28 -19.994 -12.578 4.650 225 2HB ARG 28 2HB ARG 28 -19.240 -14.130 4.958 226 1HG ARG 28 1HG ARG 28 -20.751 -12.874 7.237 227 2HG ARG 28 2HG ARG 28 -21.701 -13.494 5.901 228 1HD ARG 28 1HD ARG 28 -19.828 -15.540 6.357 229 2HD ARG 28 2HD ARG 28 -20.200 -14.971 7.972 230 HE ARG 28 HE ARG 28 -22.693 -15.182 6.744 231 1HH1 ARG 28 1HH1 ARG 28 -23.310 -18.596 7.121 232 2HH1 ARG 28 2HH1 ARG 28 -24.019 -17.040 6.844 233 1HH2 ARG 28 1HH2 ARG 28 -21.013 -18.793 7.392 234 2HH2 ARG 28 2HH2 ARG 28 -20.008 -17.384 7.316 235 H THR 29 H THR 29 -18.121 -14.403 7.919 236 HA THR 29 HA THR 29 -15.644 -15.331 6.635 237 HB THR 29 HB THR 29 -15.183 -13.848 8.641 238 HG1 THR 29 1HG THR 29 -13.949 -15.708 9.683 239 1HG2 THR 29 1HG2 THR 29 -17.356 -15.077 9.829 240 2HG2 THR 29 2HG2 THR 29 -16.016 -16.053 10.475 241 3HG2 THR 29 3HG2 THR 29 -16.043 -14.293 10.740 242 HA PRO 30 HA PRO 30 -18.437 -18.782 7.120 243 1HB PRO 30 1HB PRO 30 -18.086 -19.839 4.624 244 2HB PRO 30 2HB PRO 30 -19.375 -18.719 5.018 245 1HG PRO 30 1HG PRO 30 -16.884 -18.220 3.508 246 2HG PRO 30 2HG PRO 30 -18.352 -17.265 3.550 247 1HD PRO 30 1HD PRO 30 -15.889 -16.686 4.901 248 2HD PRO 30 2HD PRO 30 -17.392 -15.795 5.034 249 H ARG 31 H ARG 31 -17.049 -19.542 8.772 250 HA ARG 31 HA ARG 31 -15.468 -21.688 7.708 251 1HB ARG 31 1HB ARG 31 -14.336 -19.289 9.141 252 2HB ARG 31 2HB ARG 31 -13.658 -20.851 9.555 253 1HG ARG 31 1HG ARG 31 -13.588 -21.137 6.878 254 2HG ARG 31 2HG ARG 31 -13.585 -19.385 6.919 255 1HD ARG 31 1HD ARG 31 -11.709 -20.278 8.912 256 2HD ARG 31 2HD ARG 31 -11.392 -21.201 7.456 257 HE ARG 31 HE ARG 31 -11.765 -18.335 6.958 258 1HH1 ARG 31 1HH1 ARG 31 -8.373 -17.829 6.311 259 2HH1 ARG 31 2HH1 ARG 31 -9.962 -17.148 6.208 260 1HH2 ARG 31 1HH2 ARG 31 -8.075 -19.948 7.211 261 2HH2 ARG 31 2HH2 ARG 31 -9.442 -20.847 7.779 262 H ARG 32 H ARG 32 -16.980 -23.110 8.738 263 HA ARG 32 HA ARG 32 -16.982 -22.882 11.641 264 1HB ARG 32 1HB ARG 32 -19.191 -22.855 9.948 265 2HB ARG 32 2HB ARG 32 -19.111 -24.549 10.390 266 1HG ARG 32 1HG ARG 32 -18.664 -22.926 12.762 267 2HG ARG 32 2HG ARG 32 -20.119 -22.373 11.956 268 1HD ARG 32 1HD ARG 32 -20.781 -24.900 11.815 269 2HD ARG 32 2HD ARG 32 -19.506 -25.171 12.987 270 HE ARG 32 HE ARG 32 -20.925 -23.121 14.148 271 1HH1 ARG 32 1HH1 ARG 32 -23.732 -24.755 15.423 272 2HH1 ARG 32 2HH1 ARG 32 -22.723 -23.352 15.539 273 1HH2 ARG 32 1HH2 ARG 32 -23.257 -26.400 13.857 274 2HH2 ARG 32 2HH2 ARG 32 -21.893 -26.225 12.803 Start of MODEL 4 1 H THR 1 H THR 1 -32.964 27.662 2.044 2 HA THR 1 HA THR 1 -30.206 26.945 2.331 3 HB THR 1 HB THR 1 -32.187 28.756 3.784 4 HG1 THR 1 1HG THR 1 -29.730 28.973 2.191 5 1HG2 THR 1 1HG2 THR 1 -30.729 29.046 5.519 6 2HG2 THR 1 2HG2 THR 1 -29.796 27.653 4.920 7 3HG2 THR 1 3HG2 THR 1 -29.389 29.299 4.376 8 H SER 2 H SER 2 -33.062 26.644 4.556 9 HA SER 2 HA SER 2 -31.560 24.730 6.066 10 1HB SER 2 1HB SER 2 -32.857 26.224 7.393 11 2HB SER 2 2HB SER 2 -34.272 26.049 6.375 12 HG SER 2 HG SER 2 -33.195 24.195 8.295 13 H SER 3 H SER 3 -33.672 24.758 3.347 14 HA SER 3 HA SER 3 -35.068 22.390 3.834 15 1HB SER 3 1HB SER 3 -35.071 24.381 1.882 16 2HB SER 3 2HB SER 3 -34.481 22.989 0.997 17 HG SER 3 HG SER 3 -36.961 23.452 1.317 18 H ILE 4 H ILE 4 -31.804 23.147 2.698 19 HA ILE 4 HA ILE 4 -31.369 20.554 1.551 20 HB ILE 4 HB ILE 4 -29.543 22.874 2.174 21 1HG1 ILE 4 1HG1 ILE 4 -29.765 22.305 -0.605 22 2HG1 ILE 4 2HG1 ILE 4 -31.393 22.335 0.044 23 1HG2 ILE 4 1HG2 ILE 4 -28.520 20.484 2.161 24 2HG2 ILE 4 2HG2 ILE 4 -28.781 20.569 0.402 25 3HG2 ILE 4 3HG2 ILE 4 -27.749 21.775 1.208 26 1HD1 ILE 4 1HD1 ILE 4 -29.298 24.528 0.113 27 2HD1 ILE 4 2HD1 ILE 4 -30.972 24.603 -0.488 28 3HD1 ILE 4 3HD1 ILE 4 -30.657 24.530 1.263 29 H VAL 5 H VAL 5 -30.062 22.333 4.442 30 HA VAL 5 HA VAL 5 -28.598 20.397 5.575 31 HB VAL 5 HB VAL 5 -30.484 22.393 6.821 32 1HG1 VAL 5 1HG1 VAL 5 -30.208 20.709 8.500 33 2HG1 VAL 5 2HG1 VAL 5 -28.462 20.584 8.176 34 3HG1 VAL 5 3HG1 VAL 5 -29.126 22.058 8.921 35 1HG2 VAL 5 1HG2 VAL 5 -27.459 22.445 6.696 36 2HG2 VAL 5 2HG2 VAL 5 -28.491 23.145 5.426 37 3HG2 VAL 5 3HG2 VAL 5 -28.573 23.776 7.089 38 H HIS 6 H HIS 6 -32.152 20.838 6.228 39 HA HIS 6 HA HIS 6 -32.447 18.541 7.704 40 1HB HIS 6 1HB HIS 6 -34.054 20.602 6.898 41 2HB HIS 6 2HB HIS 6 -34.727 19.275 5.971 42 HD1 HIS 6 1HD HIS 6 -35.440 20.920 8.942 43 HD2 HIS 6 2HD HIS 6 -34.879 16.861 8.046 44 HE1 HIS 6 1HE HIS 6 -36.594 19.611 10.804 45 HE2 HIS 6 2HE HIS 6 -36.262 17.124 10.170 46 H LEU 7 H LEU 7 -32.963 19.036 4.143 47 HA LEU 7 HA LEU 7 -33.718 16.488 3.505 48 1HB LEU 7 1HB LEU 7 -33.883 18.193 1.900 49 2HB LEU 7 2HB LEU 7 -32.182 18.599 2.014 50 HG LEU 7 HG LEU 7 -31.682 16.307 1.032 51 1HD1 LEU 7 1HD1 LEU 7 -34.608 16.178 1.143 52 2HD1 LEU 7 2HD1 LEU 7 -33.933 15.763 -0.451 53 3HD1 LEU 7 3HD1 LEU 7 -33.400 14.879 0.999 54 1HD2 LEU 7 1HD2 LEU 7 -31.308 17.541 -0.770 55 2HD2 LEU 7 2HD2 LEU 7 -33.024 17.398 -1.220 56 3HD2 LEU 7 3HD2 LEU 7 -32.480 18.757 -0.207 57 H CYS 8 H CYS 8 -30.361 17.827 3.765 58 HA CYS 8 HA CYS 8 -28.991 15.606 2.991 59 1HB CYS 8 1HB CYS 8 -28.408 17.958 4.697 60 2HB CYS 8 2HB CYS 8 -27.365 16.575 4.960 61 HG CYS 8 HG CYS 8 -28.047 18.262 2.208 62 H ALA 9 H ALA 9 -30.935 16.199 5.868 63 HA ALA 9 HA ALA 9 -29.849 13.796 7.144 64 1HB ALA 9 1HB ALA 9 -30.388 16.292 8.162 65 2HB ALA 9 2HB ALA 9 -31.886 15.415 8.554 66 3HB ALA 9 3HB ALA 9 -30.318 14.798 9.126 67 H ILE 10 H ILE 10 -31.310 13.382 4.767 68 HA ILE 10 HA ILE 10 -33.506 11.862 5.853 69 HB ILE 10 HB ILE 10 -33.914 14.144 3.932 70 1HG1 ILE 10 1HG1 ILE 10 -35.178 13.380 6.578 71 2HG1 ILE 10 2HG1 ILE 10 -34.113 14.737 6.271 72 1HG2 ILE 10 1HG2 ILE 10 -34.992 12.307 2.866 73 2HG2 ILE 10 2HG2 ILE 10 -35.682 11.733 4.403 74 3HG2 ILE 10 3HG2 ILE 10 -36.254 13.258 3.685 75 1HD1 ILE 10 1HD1 ILE 10 -36.052 15.179 4.365 76 2HD1 ILE 10 2HD1 ILE 10 -37.007 14.427 5.665 77 3HD1 ILE 10 3HD1 ILE 10 -36.064 15.901 5.993 78 H SER 11 H SER 11 -31.976 13.071 2.785 79 HA SER 11 HA SER 11 -32.440 10.565 1.544 80 1HB SER 11 1HB SER 11 -32.066 13.095 0.605 81 2HB SER 11 2HB SER 11 -30.440 12.476 0.397 82 HG SER 11 HG SER 11 -31.109 11.384 -1.310 83 H LEU 12 H LEU 12 -31.242 9.578 3.616 84 HA LEU 12 HA LEU 12 -28.662 8.764 2.660 85 1HB LEU 12 1HB LEU 12 -28.591 10.985 4.182 86 2HB LEU 12 2HB LEU 12 -28.557 9.770 5.445 87 HG LEU 12 HG LEU 12 -26.315 10.591 4.704 88 1HD1 LEU 12 1HD1 LEU 12 -25.331 8.244 4.441 89 2HD1 LEU 12 2HD1 LEU 12 -26.302 8.572 5.897 90 3HD1 LEU 12 3HD1 LEU 12 -27.010 7.660 4.542 91 1HD2 LEU 12 1HD2 LEU 12 -27.336 10.174 2.134 92 2HD2 LEU 12 2HD2 LEU 12 -25.672 10.625 2.578 93 3HD2 LEU 12 3HD2 LEU 12 -26.100 8.912 2.353 94 H ASP 13 H ASP 13 -30.625 8.858 5.723 95 HA ASP 13 HA ASP 13 -29.975 6.421 6.637 96 1HB ASP 13 1HB ASP 13 -31.569 8.249 7.596 97 2HB ASP 13 2HB ASP 13 -32.840 7.451 6.692 98 H ARG 14 H ARG 14 -32.597 7.327 4.293 99 HA ARG 14 HA ARG 14 -33.938 5.086 3.992 100 1HB ARG 14 1HB ARG 14 -33.982 7.312 2.605 101 2HB ARG 14 2HB ARG 14 -32.864 6.509 1.520 102 1HG ARG 14 1HG ARG 14 -34.858 4.578 1.886 103 2HG ARG 14 2HG ARG 14 -35.768 6.076 1.882 104 1HD ARG 14 1HD ARG 14 -33.849 6.305 -0.231 105 2HD ARG 14 2HD ARG 14 -34.527 4.694 -0.360 106 HE ARG 14 HE ARG 14 -36.770 6.251 0.023 107 1HH1 ARG 14 1HH1 ARG 14 -37.245 7.664 -3.133 108 2HH1 ARG 14 2HH1 ARG 14 -37.995 7.251 -1.627 109 1HH2 ARG 14 1HH2 ARG 14 -34.996 7.202 -3.474 110 2HH2 ARG 14 2HH2 ARG 14 -34.068 6.444 -2.223 111 H TYR 15 H TYR 15 -30.773 5.799 2.347 112 HA TYR 15 HA TYR 15 -30.615 3.188 1.208 113 1HB TYR 15 1HB TYR 15 -28.593 5.454 1.743 114 2HB TYR 15 2HB TYR 15 -28.281 4.104 0.670 115 HD1 TYR 15 1HD TYR 15 -29.296 3.991 -1.543 116 HD2 TYR 15 2HD TYR 15 -30.169 7.237 1.104 117 HE1 TYR 15 1HE TYR 15 -30.308 5.301 -3.472 118 HE2 TYR 15 2HE TYR 15 -31.179 8.536 -0.835 119 HH TYR 15 HH TYR 15 -31.264 7.126 -4.099 120 H TRP 16 H TRP 16 -29.347 4.832 4.136 121 HA TRP 16 HA TRP 16 -27.353 3.176 4.900 122 1HB TRP 16 1HB TRP 16 -27.961 5.155 6.127 123 2HB TRP 16 2HB TRP 16 -29.502 4.460 6.590 124 HD1 TRP 16 HD TRP 16 -29.390 3.783 9.103 125 HE1 TRP 16 1HE TRP 16 -27.678 2.703 10.796 126 HE3 TRP 16 3HE TRP 16 -25.564 3.364 5.780 127 HZ2 TRP 16 2HZ TRP 16 -24.976 1.815 10.560 128 HZ3 TRP 16 3HZ TRP 16 -23.423 2.380 6.593 129 HH2 TRP 16 HH TRP 16 -23.095 1.619 8.892 130 H SER 17 H SER 17 -30.861 2.765 5.806 131 HA SER 17 HA SER 17 -30.601 0.325 6.962 132 1HB SER 17 1HB SER 17 -32.673 1.507 7.166 133 2HB SER 17 2HB SER 17 -32.885 1.612 5.430 134 HG SER 17 HG SER 17 -33.348 -0.616 5.328 135 H ILE 18 H ILE 18 -31.367 1.097 3.494 136 HA ILE 18 HA ILE 18 -31.653 -1.467 2.569 137 HB ILE 18 HB ILE 18 -30.507 0.974 1.213 138 1HG1 ILE 18 1HG1 ILE 18 -33.311 -0.137 1.014 139 2HG1 ILE 18 2HG1 ILE 18 -32.858 1.046 2.224 140 1HG2 ILE 18 1HG2 ILE 18 -30.596 -0.063 -0.830 141 2HG2 ILE 18 2HG2 ILE 18 -30.076 -1.416 0.202 142 3HG2 ILE 18 3HG2 ILE 18 -31.780 -1.278 -0.292 143 1HD1 ILE 18 1HD1 ILE 18 -32.842 2.744 0.710 144 2HD1 ILE 18 2HD1 ILE 18 -31.898 1.792 -0.461 145 3HD1 ILE 18 3HD1 ILE 18 -33.668 1.612 -0.388 146 H THR 19 H THR 19 -28.603 0.510 2.377 147 HA THR 19 HA THR 19 -26.905 -1.396 1.498 148 HB THR 19 HB THR 19 -26.550 0.825 3.570 149 HG1 THR 19 1HG THR 19 -25.680 1.780 1.541 150 1HG2 THR 19 1HG2 THR 19 -24.135 0.426 2.173 151 2HG2 THR 19 2HG2 THR 19 -24.420 0.036 3.886 152 3HG2 THR 19 3HG2 THR 19 -24.633 -1.217 2.641 153 H GLN 20 H GLN 20 -27.792 -0.881 4.974 154 HA GLN 20 HA GLN 20 -26.239 -2.714 6.114 155 1HB GLN 20 1HB GLN 20 -28.458 -1.248 6.877 156 2HB GLN 20 2HB GLN 20 -29.054 -2.887 7.045 157 1HG GLN 20 1HG GLN 20 -26.612 -3.200 8.215 158 2HG GLN 20 2HG GLN 20 -26.861 -1.498 8.550 159 1HE2 GLN 20 1HE2 GLN 20 -26.729 -2.748 10.724 160 2HE2 GLN 20 2HE2 GLN 20 -28.246 -3.135 11.465 161 H ALA 21 H ALA 21 -29.106 -3.322 4.072 162 HA ALA 21 HA ALA 21 -29.033 -6.156 4.656 163 1HB ALA 21 1HB ALA 21 -30.771 -5.650 2.504 164 2HB ALA 21 2HB ALA 21 -31.216 -5.827 4.219 165 3HB ALA 21 3HB ALA 21 -30.899 -4.210 3.544 166 H ILE 22 H ILE 22 -26.549 -5.584 3.801 167 HA ILE 22 HA ILE 22 -26.519 -6.860 1.203 168 HB ILE 22 HB ILE 22 -25.210 -4.188 1.714 169 1HG1 ILE 22 1HG1 ILE 22 -27.413 -5.037 -0.188 170 2HG1 ILE 22 2HG1 ILE 22 -27.576 -3.980 1.200 171 1HG2 ILE 22 1HG2 ILE 22 -25.063 -5.412 -0.972 172 2HG2 ILE 22 2HG2 ILE 22 -23.862 -4.459 -0.068 173 3HG2 ILE 22 3HG2 ILE 22 -24.073 -6.191 0.285 174 1HD1 ILE 22 1HD1 ILE 22 -25.525 -2.733 -0.165 175 2HD1 ILE 22 2HD1 ILE 22 -26.494 -3.397 -1.502 176 3HD1 ILE 22 3HD1 ILE 22 -27.246 -2.302 -0.317 177 H GLU 23 H GLU 23 -24.257 -5.149 3.482 178 HA GLU 23 HA GLU 23 -22.367 -7.224 3.186 179 1HB GLU 23 1HB GLU 23 -22.518 -4.581 4.424 180 2HB GLU 23 2HB GLU 23 -21.710 -5.712 5.491 181 1HG GLU 23 1HG GLU 23 -19.973 -4.820 4.113 182 2HG GLU 23 2HG GLU 23 -20.280 -6.421 3.469 183 H TYR 24 H TYR 24 -23.918 -9.025 3.772 184 HA TYR 24 HA TYR 24 -23.429 -9.867 6.420 185 1HB TYR 24 1HB TYR 24 -25.849 -8.297 5.744 186 2HB TYR 24 2HB TYR 24 -26.303 -9.902 6.283 187 HD1 TYR 24 1HD TYR 24 -26.066 -6.722 7.423 188 HD2 TYR 24 2HD TYR 24 -24.599 -10.612 8.434 189 HE1 TYR 24 1HE TYR 24 -25.786 -5.995 9.844 190 HE2 TYR 24 2HE TYR 24 -24.324 -9.872 10.851 191 HH TYR 24 HH TYR 24 -24.268 -6.739 11.781 192 H ASN 25 H ASN 25 -25.451 -10.101 3.448 193 HA ASN 25 HA ASN 25 -25.295 -12.995 3.776 194 1HB ASN 25 1HB ASN 25 -27.581 -11.449 3.482 195 2HB ASN 25 2HB ASN 25 -27.254 -11.873 1.814 196 1HD2 ASN 25 1HD2 ASN 25 -27.200 -13.375 5.046 197 2HD2 ASN 25 2HD2 ASN 25 -27.964 -14.867 4.608 198 H LEU 26 H LEU 26 -23.088 -11.564 2.706 199 HA LEU 26 HA LEU 26 -23.201 -12.436 -0.075 200 1HB LEU 26 1HB LEU 26 -23.662 -10.169 -0.376 201 2HB LEU 26 2HB LEU 26 -22.564 -9.668 0.895 202 HG LEU 26 HG LEU 26 -20.640 -10.360 -0.524 203 1HD1 LEU 26 1HD1 LEU 26 -21.107 -10.702 -2.978 204 2HD1 LEU 26 2HD1 LEU 26 -21.566 -12.051 -1.910 205 3HD1 LEU 26 3HD1 LEU 26 -22.815 -10.950 -2.541 206 1HD2 LEU 26 1HD2 LEU 26 -21.514 -8.543 -2.436 207 2HD2 LEU 26 2HD2 LEU 26 -22.460 -8.137 -0.984 208 3HD2 LEU 26 3HD2 LEU 26 -20.682 -8.169 -0.908 209 H LYS 27 H LYS 27 -20.879 -10.690 2.108 210 HA LYS 27 HA LYS 27 -19.152 -13.050 1.907 211 1HB LYS 27 1HB LYS 27 -18.327 -11.466 0.272 212 2HB LYS 27 2HB LYS 27 -18.347 -10.165 1.445 213 1HG LYS 27 1HG LYS 27 -16.189 -10.716 1.905 214 2HG LYS 27 2HG LYS 27 -16.827 -12.116 2.743 215 1HD LYS 27 1HD LYS 27 -16.545 -12.358 -0.237 216 2HD LYS 27 2HD LYS 27 -15.056 -12.301 0.684 217 1HE LYS 27 1HE LYS 27 -17.124 -14.107 1.836 218 2HE LYS 27 2HE LYS 27 -16.561 -14.588 0.248 219 1HZ LYS 27 1HZ LYS 27 -15.146 -14.549 2.730 220 2HZ LYS 27 2HZ LYS 27 -14.902 -15.474 1.407 221 3HZ LYS 27 3HZ LYS 27 -14.284 -13.964 1.472 222 H ARG 28 H ARG 28 -20.586 -13.193 4.018 223 HA ARG 28 HA ARG 28 -18.887 -12.091 6.083 224 1HB ARG 28 1HB ARG 28 -21.124 -10.756 5.715 225 2HB ARG 28 2HB ARG 28 -21.911 -12.145 6.438 226 1HG ARG 28 1HG ARG 28 -20.961 -11.776 8.543 227 2HG ARG 28 2HG ARG 28 -19.529 -11.007 7.886 228 1HD ARG 28 1HD ARG 28 -21.101 -9.064 7.158 229 2HD ARG 28 2HD ARG 28 -22.311 -9.800 8.189 230 HE ARG 28 HE ARG 28 -19.868 -9.553 9.672 231 1HH1 ARG 28 1HH1 ARG 28 -20.639 -6.496 11.168 232 2HH1 ARG 28 2HH1 ARG 28 -19.621 -7.896 11.226 233 1HH2 ARG 28 1HH2 ARG 28 -22.256 -6.304 9.514 234 2HH2 ARG 28 2HH2 ARG 28 -22.443 -7.561 8.336 235 H THR 29 H THR 29 -19.282 -13.275 8.251 236 HA THR 29 HA THR 29 -20.165 -16.035 7.707 237 HB THR 29 HB THR 29 -17.767 -16.065 7.942 238 HG1 THR 29 1HG THR 29 -19.118 -17.466 9.413 239 1HG2 THR 29 1HG2 THR 29 -17.138 -13.937 8.842 240 2HG2 THR 29 2HG2 THR 29 -18.288 -14.078 10.193 241 3HG2 THR 29 3HG2 THR 29 -16.810 -15.069 10.175 242 HA PRO 30 HA PRO 30 -22.847 -14.471 10.924 243 1HB PRO 30 1HB PRO 30 -25.188 -15.444 9.904 244 2HB PRO 30 2HB PRO 30 -24.604 -13.823 9.585 245 1HG PRO 30 1HG PRO 30 -24.605 -16.177 7.797 246 2HG PRO 30 2HG PRO 30 -24.432 -14.483 7.382 247 1HD PRO 30 1HD PRO 30 -22.340 -16.442 7.507 248 2HD PRO 30 2HD PRO 30 -22.152 -14.726 7.206 249 H ARG 31 H ARG 31 -23.377 -15.434 12.825 250 HA ARG 31 HA ARG 31 -23.618 -18.315 12.610 251 1HB ARG 31 1HB ARG 31 -21.410 -16.874 13.811 252 2HB ARG 31 2HB ARG 31 -22.285 -17.686 15.093 253 1HG ARG 31 1HG ARG 31 -22.040 -19.849 14.015 254 2HG ARG 31 2HG ARG 31 -21.459 -19.119 12.532 255 1HD ARG 31 1HD ARG 31 -19.514 -18.154 14.010 256 2HD ARG 31 2HD ARG 31 -20.019 -19.334 15.202 257 HE ARG 31 HE ARG 31 -18.607 -19.883 12.721 258 1HH1 ARG 31 1HH1 ARG 31 -18.883 -23.348 13.032 259 2HH1 ARG 31 2HH1 ARG 31 -18.083 -22.048 12.212 260 1HH2 ARG 31 1HH2 ARG 31 -20.487 -22.890 14.645 261 2HH2 ARG 31 2HH2 ARG 31 -20.884 -21.249 15.031 262 H ARG 32 H ARG 32 -25.035 -19.261 14.196 263 HA ARG 32 HA ARG 32 -26.674 -17.279 15.498 264 1HB ARG 32 1HB ARG 32 -28.305 -19.133 15.772 265 2HB ARG 32 2HB ARG 32 -27.788 -19.010 14.102 266 1HG ARG 32 1HG ARG 32 -26.345 -20.920 14.284 267 2HG ARG 32 2HG ARG 32 -26.376 -20.884 16.036 268 1HD ARG 32 1HD ARG 32 -28.140 -22.312 16.028 269 2HD ARG 32 2HD ARG 32 -29.105 -21.113 15.189 270 HE ARG 32 HE ARG 32 -27.742 -23.424 13.986 271 1HH1 ARG 32 1HH1 ARG 32 -28.929 -22.657 10.795 272 2HH1 ARG 32 2HH1 ARG 32 -28.155 -23.853 11.779 273 1HH2 ARG 32 1HH2 ARG 32 -29.548 -20.619 11.717 274 2HH2 ARG 32 2HH2 ARG 32 -29.234 -20.294 13.389 Start of MODEL 5 1 H THR 1 H THR 1 -29.284 26.392 3.264 2 HA THR 1 HA THR 1 -27.354 25.852 4.275 3 HB THR 1 HB THR 1 -28.261 27.927 6.336 4 HG1 THR 1 1HG THR 1 -26.654 29.129 5.109 5 1HG2 THR 1 1HG2 THR 1 -26.395 27.481 7.586 6 2HG2 THR 1 2HG2 THR 1 -26.285 25.937 6.707 7 3HG2 THR 1 3HG2 THR 1 -25.382 27.357 6.127 8 H SER 2 H SER 2 -29.885 26.290 6.844 9 HA SER 2 HA SER 2 -29.125 23.729 7.884 10 1HB SER 2 1HB SER 2 -29.647 25.637 9.399 11 2HB SER 2 2HB SER 2 -31.283 25.694 8.774 12 HG SER 2 HG SER 2 -30.364 24.202 10.804 13 H SER 3 H SER 3 -31.319 25.028 5.560 14 HA SER 3 HA SER 3 -33.257 22.938 5.967 15 1HB SER 3 1HB SER 3 -33.670 25.457 5.250 16 2HB SER 3 2HB SER 3 -33.290 24.873 3.642 17 HG SER 3 HG SER 3 -35.139 23.311 5.117 18 H ILE 4 H ILE 4 -30.712 21.895 5.394 19 HA ILE 4 HA ILE 4 -31.231 20.714 2.785 20 HB ILE 4 HB ILE 4 -28.609 21.992 3.567 21 1HG1 ILE 4 1HG1 ILE 4 -30.482 22.634 1.271 22 2HG1 ILE 4 2HG1 ILE 4 -30.399 23.541 2.767 23 1HG2 ILE 4 1HG2 ILE 4 -28.722 19.681 2.253 24 2HG2 ILE 4 2HG2 ILE 4 -29.040 20.771 0.882 25 3HG2 ILE 4 3HG2 ILE 4 -27.551 20.956 1.839 26 1HD1 ILE 4 1HD1 ILE 4 -29.010 24.630 1.055 27 2HD1 ILE 4 2HD1 ILE 4 -27.968 23.992 2.349 28 3HD1 ILE 4 3HD1 ILE 4 -28.100 23.121 0.803 29 H VAL 5 H VAL 5 -28.855 20.758 5.540 30 HA VAL 5 HA VAL 5 -27.985 18.226 5.456 31 HB VAL 5 HB VAL 5 -28.758 19.941 7.814 32 1HG1 VAL 5 1HG1 VAL 5 -26.774 18.077 8.595 33 2HG1 VAL 5 2HG1 VAL 5 -28.444 18.217 9.193 34 3HG1 VAL 5 3HG1 VAL 5 -28.076 17.143 7.822 35 1HG2 VAL 5 1HG2 VAL 5 -26.029 19.745 7.777 36 2HG2 VAL 5 2HG2 VAL 5 -26.412 19.690 6.040 37 3HG2 VAL 5 3HG2 VAL 5 -26.965 21.062 7.030 38 H HIS 6 H HIS 6 -30.931 19.232 7.344 39 HA HIS 6 HA HIS 6 -31.762 16.769 8.084 40 1HB HIS 6 1HB HIS 6 -32.724 19.268 8.347 41 2HB HIS 6 2HB HIS 6 -33.864 18.667 7.160 42 HD1 HIS 6 1HD HIS 6 -32.374 17.140 10.364 43 HD2 HIS 6 2HD HIS 6 -36.065 17.752 8.467 44 HE1 HIS 6 1HE HIS 6 -34.142 16.112 11.890 45 HE2 HIS 6 2HE HIS 6 -36.393 16.567 10.698 46 H LEU 7 H LEU 7 -32.824 18.506 5.066 47 HA LEU 7 HA LEU 7 -34.296 16.455 4.000 48 1HB LEU 7 1HB LEU 7 -32.756 18.745 2.833 49 2HB LEU 7 2HB LEU 7 -33.509 17.571 1.772 50 HG LEU 7 HG LEU 7 -35.084 18.987 3.923 51 1HD1 LEU 7 1HD1 LEU 7 -35.816 20.404 1.800 52 2HD1 LEU 7 2HD1 LEU 7 -34.446 20.883 2.831 53 3HD1 LEU 7 3HD1 LEU 7 -34.150 20.039 1.292 54 1HD2 LEU 7 1HD2 LEU 7 -35.965 16.909 2.769 55 2HD2 LEU 7 2HD2 LEU 7 -37.001 18.355 2.692 56 3HD2 LEU 7 3HD2 LEU 7 -36.033 17.877 1.277 57 H CYS 8 H CYS 8 -30.773 17.170 3.483 58 HA CYS 8 HA CYS 8 -30.222 15.097 1.803 59 1HB CYS 8 1HB CYS 8 -28.749 17.040 3.100 60 2HB CYS 8 2HB CYS 8 -28.116 15.567 3.808 61 HG CYS 8 HG CYS 8 -28.410 14.569 1.044 62 H ALA 9 H ALA 9 -30.940 15.130 5.276 63 HA ALA 9 HA ALA 9 -30.039 12.388 5.598 64 1HB ALA 9 1HB ALA 9 -30.838 12.827 7.975 65 2HB ALA 9 2HB ALA 9 -29.518 13.876 7.406 66 3HB ALA 9 3HB ALA 9 -31.185 14.496 7.464 67 H ILE 10 H ILE 10 -31.880 12.336 3.626 68 HA ILE 10 HA ILE 10 -34.138 11.091 4.975 69 HB ILE 10 HB ILE 10 -34.412 13.226 2.856 70 1HG1 ILE 10 1HG1 ILE 10 -33.981 14.028 5.184 71 2HG1 ILE 10 2HG1 ILE 10 -35.513 14.545 4.507 72 1HG2 ILE 10 1HG2 ILE 10 -36.208 12.061 2.211 73 2HG2 ILE 10 2HG2 ILE 10 -36.175 11.022 3.656 74 3HG2 ILE 10 3HG2 ILE 10 -36.946 12.625 3.729 75 1HD1 ILE 10 1HD1 ILE 10 -35.188 12.119 6.333 76 2HD1 ILE 10 2HD1 ILE 10 -35.702 13.733 6.881 77 3HD1 ILE 10 3HD1 ILE 10 -36.721 12.811 5.750 78 H SER 11 H SER 11 -32.592 11.901 1.791 79 HA SER 11 HA SER 11 -33.590 9.501 0.659 80 1HB SER 11 1HB SER 11 -32.785 11.879 -0.389 81 2HB SER 11 2HB SER 11 -31.310 10.962 -0.626 82 HG SER 11 HG SER 11 -32.264 10.148 -2.354 83 H LEU 12 H LEU 12 -30.431 10.720 1.915 84 HA LEU 12 HA LEU 12 -28.901 8.518 1.156 85 1HB LEU 12 1HB LEU 12 -27.757 10.454 1.724 86 2HB LEU 12 2HB LEU 12 -28.650 10.679 3.215 87 HG LEU 12 HG LEU 12 -27.483 8.532 4.036 88 1HD1 LEU 12 1HD1 LEU 12 -25.073 8.757 2.668 89 2HD1 LEU 12 2HD1 LEU 12 -26.261 7.439 2.532 90 3HD1 LEU 12 3HD1 LEU 12 -26.309 8.803 1.388 91 1HD2 LEU 12 1HD2 LEU 12 -25.532 10.774 3.619 92 2HD2 LEU 12 2HD2 LEU 12 -27.009 11.042 4.576 93 3HD2 LEU 12 3HD2 LEU 12 -25.846 9.787 5.067 94 H ASP 13 H ASP 13 -30.328 9.292 4.413 95 HA ASP 13 HA ASP 13 -29.675 7.047 5.688 96 1HB ASP 13 1HB ASP 13 -31.131 9.103 6.413 97 2HB ASP 13 2HB ASP 13 -32.501 8.158 5.864 98 H ARG 14 H ARG 14 -32.631 7.602 3.633 99 HA ARG 14 HA ARG 14 -33.938 5.328 3.918 100 1HB ARG 14 1HB ARG 14 -33.791 7.381 1.945 101 2HB ARG 14 2HB ARG 14 -33.708 5.877 1.048 102 1HG ARG 14 1HG ARG 14 -35.720 5.443 3.001 103 2HG ARG 14 2HG ARG 14 -35.994 7.079 2.434 104 1HD ARG 14 1HD ARG 14 -35.913 6.213 0.048 105 2HD ARG 14 2HD ARG 14 -35.775 4.584 0.680 106 HE ARG 14 HE ARG 14 -38.016 5.572 1.977 107 1HH1 ARG 14 1HH1 ARG 14 -40.458 5.232 -0.493 108 2HH1 ARG 14 2HH1 ARG 14 -40.160 5.393 1.205 109 1HH2 ARG 14 1HH2 ARG 14 -38.680 5.198 -1.985 110 2HH2 ARG 14 2HH2 ARG 14 -37.056 5.334 -1.400 111 H TYR 15 H TYR 15 -31.029 5.832 1.820 112 HA TYR 15 HA TYR 15 -31.022 3.106 0.935 113 1HB TYR 15 1HB TYR 15 -29.029 5.458 0.901 114 2HB TYR 15 2HB TYR 15 -28.759 3.968 0.019 115 HD1 TYR 15 1HD TYR 15 -31.145 3.317 -1.357 116 HD2 TYR 15 2HD TYR 15 -29.600 7.212 -0.493 117 HE1 TYR 15 1HE TYR 15 -32.416 4.269 -3.342 118 HE2 TYR 15 2HE TYR 15 -30.876 8.151 -2.482 119 HH TYR 15 HH TYR 15 -32.229 7.737 -4.107 120 H TRP 16 H TRP 16 -29.378 5.076 3.444 121 HA TRP 16 HA TRP 16 -27.270 3.524 4.104 122 1HB TRP 16 1HB TRP 16 -27.704 5.610 5.190 123 2HB TRP 16 2HB TRP 16 -29.191 5.010 5.896 124 HD1 TRP 16 HD TRP 16 -28.807 4.611 8.441 125 HE1 TRP 16 1HE TRP 16 -26.928 3.683 10.045 126 HE3 TRP 16 3HE TRP 16 -25.383 3.734 4.785 127 HZ2 TRP 16 2HZ TRP 16 -24.281 2.708 9.615 128 HZ3 TRP 16 3HZ TRP 16 -23.177 2.792 5.462 129 HH2 TRP 16 HH TRP 16 -22.602 2.282 7.782 130 H SER 17 H SER 17 -30.564 3.222 5.637 131 HA SER 17 HA SER 17 -30.104 0.920 6.965 132 1HB SER 17 1HB SER 17 -32.203 2.482 6.863 133 2HB SER 17 2HB SER 17 -32.753 1.431 5.574 134 HG SER 17 HG SER 17 -32.064 -0.296 7.402 135 H ILE 18 H ILE 18 -31.475 1.267 3.611 136 HA ILE 18 HA ILE 18 -31.858 -1.343 2.998 137 HB ILE 18 HB ILE 18 -30.967 1.012 1.362 138 1HG1 ILE 18 1HG1 ILE 18 -33.577 -0.527 1.372 139 2HG1 ILE 18 2HG1 ILE 18 -33.275 0.877 2.376 140 1HG2 ILE 18 1HG2 ILE 18 -30.017 -0.924 0.246 141 2HG2 ILE 18 2HG2 ILE 18 -31.582 -1.768 0.323 142 3HG2 ILE 18 3HG2 ILE 18 -31.409 -0.302 -0.672 143 1HD1 ILE 18 1HD1 ILE 18 -32.531 2.004 0.085 144 2HD1 ILE 18 2HD1 ILE 18 -33.521 0.708 -0.628 145 3HD1 ILE 18 3HD1 ILE 18 -34.257 1.871 0.501 146 H THR 19 H THR 19 -28.800 0.473 2.225 147 HA THR 19 HA THR 19 -27.344 -1.792 1.531 148 HB THR 19 HB THR 19 -25.394 -0.136 2.150 149 HG1 THR 19 1HG THR 19 -26.923 1.004 3.662 150 1HG2 THR 19 1HG2 THR 19 -27.406 -0.019 0.019 151 2HG2 THR 19 2HG2 THR 19 -26.839 1.614 0.441 152 3HG2 THR 19 3HG2 THR 19 -25.671 0.370 -0.064 153 H GLN 20 H GLN 20 -27.999 -0.326 4.725 154 HA GLN 20 HA GLN 20 -26.073 -1.555 6.177 155 1HB GLN 20 1HB GLN 20 -28.050 0.088 6.824 156 2HB GLN 20 2HB GLN 20 -28.896 -1.387 7.250 157 1HG GLN 20 1HG GLN 20 -26.080 -1.090 8.266 158 2HG GLN 20 2HG GLN 20 -27.299 -0.066 8.997 159 1HE2 GLN 20 1HE2 GLN 20 -28.753 -0.880 10.381 160 2HE2 GLN 20 2HE2 GLN 20 -28.844 -2.534 10.886 161 H ALA 21 H ALA 21 -29.403 -2.834 5.457 162 HA ALA 21 HA ALA 21 -28.603 -5.427 6.474 163 1HB ALA 21 1HB ALA 21 -31.183 -4.168 5.506 164 2HB ALA 21 2HB ALA 21 -31.052 -5.920 5.791 165 3HB ALA 21 3HB ALA 21 -30.780 -4.777 7.129 166 H ILE 22 H ILE 22 -26.932 -4.790 4.395 167 HA ILE 22 HA ILE 22 -27.797 -6.725 2.413 168 HB ILE 22 HB ILE 22 -27.162 -3.848 1.814 169 1HG1 ILE 22 1HG1 ILE 22 -29.381 -5.660 0.822 170 2HG1 ILE 22 2HG1 ILE 22 -29.531 -4.577 2.191 171 1HG2 ILE 22 1HG2 ILE 22 -26.309 -6.184 0.319 172 2HG2 ILE 22 2HG2 ILE 22 -27.417 -5.167 -0.633 173 3HG2 ILE 22 3HG2 ILE 22 -25.938 -4.462 0.063 174 1HD1 ILE 22 1HD1 ILE 22 -30.399 -3.552 0.088 175 2HD1 ILE 22 2HD1 ILE 22 -29.034 -2.627 0.758 176 3HD1 ILE 22 3HD1 ILE 22 -28.781 -3.703 -0.638 177 H GLU 23 H GLU 23 -25.236 -4.426 3.541 178 HA GLU 23 HA GLU 23 -23.155 -5.835 2.361 179 1HB GLU 23 1HB GLU 23 -23.193 -3.434 3.328 180 2HB GLU 23 2HB GLU 23 -22.923 -4.170 4.895 181 1HG GLU 23 1HG GLU 23 -20.704 -4.178 4.425 182 2HG GLU 23 2HG GLU 23 -21.021 -5.419 3.229 183 H TYR 24 H TYR 24 -25.048 -6.376 5.276 184 HA TYR 24 HA TYR 24 -23.301 -7.760 6.872 185 1HB TYR 24 1HB TYR 24 -26.233 -7.623 6.222 186 2HB TYR 24 2HB TYR 24 -25.763 -9.121 7.001 187 HD1 TYR 24 1HD TYR 24 -25.202 -5.428 7.423 188 HD2 TYR 24 2HD TYR 24 -25.887 -9.204 9.314 189 HE1 TYR 24 1HE TYR 24 -25.292 -4.283 9.691 190 HE2 TYR 24 2HE TYR 24 -25.974 -8.047 11.576 191 HH TYR 24 HH TYR 24 -24.771 -5.193 12.187 192 H ASN 25 H ASN 25 -25.258 -8.972 4.078 193 HA ASN 25 HA ASN 25 -23.728 -11.441 4.300 194 1HB ASN 25 1HB ASN 25 -26.530 -10.789 3.395 195 2HB ASN 25 2HB ASN 25 -25.716 -12.086 2.544 196 1HD2 ASN 25 1HD2 ASN 25 -26.526 -10.876 5.771 197 2HD2 ASN 25 2HD2 ASN 25 -26.673 -12.410 6.561 198 H LEU 26 H LEU 26 -22.017 -9.941 3.163 199 HA LEU 26 HA LEU 26 -22.335 -10.299 0.294 200 1HB LEU 26 1HB LEU 26 -23.128 -8.019 0.818 201 2HB LEU 26 2HB LEU 26 -21.574 -7.654 1.540 202 HG LEU 26 HG LEU 26 -20.616 -8.329 -0.807 203 1HD1 LEU 26 1HD1 LEU 26 -21.991 -8.250 -2.650 204 2HD1 LEU 26 2HD1 LEU 26 -23.043 -9.060 -1.465 205 3HD1 LEU 26 3HD1 LEU 26 -23.258 -7.327 -1.808 206 1HD2 LEU 26 1HD2 LEU 26 -21.179 -5.913 -1.597 207 2HD2 LEU 26 2HD2 LEU 26 -21.938 -5.758 0.006 208 3HD2 LEU 26 3HD2 LEU 26 -20.209 -6.158 -0.125 209 H LYS 27 H LYS 27 -20.011 -8.611 2.516 210 HA LYS 27 HA LYS 27 -18.065 -10.690 1.843 211 1HB LYS 27 1HB LYS 27 -17.661 -8.837 0.305 212 2HB LYS 27 2HB LYS 27 -17.596 -7.701 1.638 213 1HG LYS 27 1HG LYS 27 -15.336 -8.104 1.519 214 2HG LYS 27 2HG LYS 27 -15.737 -9.489 2.516 215 1HD LYS 27 1HD LYS 27 -16.173 -10.688 0.180 216 2HD LYS 27 2HD LYS 27 -15.172 -9.399 -0.458 217 1HE LYS 27 1HE LYS 27 -13.319 -10.016 1.034 218 2HE LYS 27 2HE LYS 27 -14.321 -11.189 1.866 219 1HZ LYS 27 1HZ LYS 27 -13.779 -12.652 0.336 220 2HZ LYS 27 2HZ LYS 27 -14.405 -11.730 -0.858 221 3HZ LYS 27 3HZ LYS 27 -12.837 -11.561 -0.433 222 H ARG 28 H ARG 28 -18.969 -11.372 4.027 223 HA ARG 28 HA ARG 28 -18.005 -9.681 6.155 224 1HB ARG 28 1HB ARG 28 -20.229 -11.428 5.848 225 2HB ARG 28 2HB ARG 28 -19.188 -12.229 7.008 226 1HG ARG 28 1HG ARG 28 -19.055 -9.723 8.031 227 2HG ARG 28 2HG ARG 28 -20.610 -9.587 7.234 228 1HD ARG 28 1HD ARG 28 -20.182 -12.081 8.845 229 2HD ARG 28 2HD ARG 28 -20.299 -10.591 9.760 230 HE ARG 28 HE ARG 28 -22.563 -10.379 9.126 231 1HH1 ARG 28 1HH1 ARG 28 -24.516 -12.529 7.193 232 2HH1 ARG 28 2HH1 ARG 28 -24.527 -11.174 8.271 233 1HH2 ARG 28 1HH2 ARG 28 -22.506 -13.537 6.616 234 2HH2 ARG 28 2HH2 ARG 28 -21.018 -12.934 7.264 235 H THR 29 H THR 29 -16.965 -10.994 8.106 236 HA THR 29 HA THR 29 -15.224 -12.149 8.867 237 HB THR 29 HB THR 29 -16.215 -14.026 6.668 238 HG1 THR 29 1HG THR 29 -17.442 -14.677 8.419 239 1HG2 THR 29 1HG2 THR 29 -14.993 -15.733 8.290 240 2HG2 THR 29 2HG2 THR 29 -14.045 -14.922 7.021 241 3HG2 THR 29 3HG2 THR 29 -13.976 -14.331 8.699 242 HA PRO 30 HA PRO 30 -12.536 -10.455 5.645 243 1HB PRO 30 1HB PRO 30 -11.612 -8.274 7.008 244 2HB PRO 30 2HB PRO 30 -12.950 -8.202 5.878 245 1HG PRO 30 1HG PRO 30 -13.013 -8.134 8.833 246 2HG PRO 30 2HG PRO 30 -14.254 -7.645 7.697 247 1HD PRO 30 1HD PRO 30 -14.195 -10.063 9.238 248 2HD PRO 30 2HD PRO 30 -15.374 -9.627 8.017 249 H ARG 31 H ARG 31 -10.079 -9.710 5.914 250 HA ARG 31 HA ARG 31 -9.083 -11.669 7.822 251 1HB ARG 31 1HB ARG 31 -8.001 -10.725 5.131 252 2HB ARG 31 2HB ARG 31 -6.989 -11.595 6.266 253 1HG ARG 31 1HG ARG 31 -8.702 -13.462 6.295 254 2HG ARG 31 2HG ARG 31 -9.612 -12.603 5.068 255 1HD ARG 31 1HD ARG 31 -7.833 -12.827 3.443 256 2HD ARG 31 2HD ARG 31 -6.680 -13.331 4.663 257 HE ARG 31 HE ARG 31 -7.597 -15.508 4.635 258 1HH1 ARG 31 1HH1 ARG 31 -10.137 -16.787 2.612 259 2HH1 ARG 31 2HH1 ARG 31 -8.854 -17.177 3.709 260 1HH2 ARG 31 1HH2 ARG 31 -10.578 -14.570 2.084 261 2HH2 ARG 31 2HH2 ARG 31 -9.625 -13.306 2.786 262 H ARG 32 H ARG 32 -8.984 -10.116 9.585 263 HA ARG 32 HA ARG 32 -7.460 -7.739 9.129 264 1HB ARG 32 1HB ARG 32 -9.568 -8.184 10.736 265 2HB ARG 32 2HB ARG 32 -8.326 -8.651 11.882 266 1HG ARG 32 1HG ARG 32 -7.345 -6.253 10.768 267 2HG ARG 32 2HG ARG 32 -9.067 -5.966 10.928 268 1HD ARG 32 1HD ARG 32 -8.893 -6.804 13.344 269 2HD ARG 32 2HD ARG 32 -7.153 -6.838 13.144 270 HE ARG 32 HE ARG 32 -8.835 -4.453 13.418 271 1HH1 ARG 32 1HH1 ARG 32 -6.119 -2.283 13.114 272 2HH1 ARG 32 2HH1 ARG 32 -7.788 -2.426 13.553 273 1HH2 ARG 32 1HH2 ARG 32 -4.946 -4.149 12.388 274 2HH2 ARG 32 2HH2 ARG 32 -5.739 -5.685 12.286 Start of MODEL 6 1 H THR 1 H THR 1 -28.528 27.385 2.727 2 HA THR 1 HA THR 1 -26.102 25.807 3.290 3 HB THR 1 HB THR 1 -27.235 28.339 4.587 4 HG1 THR 1 1HG THR 1 -24.670 27.607 3.369 5 1HG2 THR 1 1HG2 THR 1 -24.635 27.880 5.532 6 2HG2 THR 1 2HG2 THR 1 -26.125 27.650 6.477 7 3HG2 THR 1 3HG2 THR 1 -25.389 26.270 5.628 8 H SER 2 H SER 2 -29.120 27.009 4.917 9 HA SER 2 HA SER 2 -29.062 24.657 6.547 10 1HB SER 2 1HB SER 2 -29.704 26.960 7.396 11 2HB SER 2 2HB SER 2 -31.159 26.868 6.423 12 HG SER 2 HG SER 2 -31.068 26.096 8.854 13 H SER 3 H SER 3 -30.289 25.591 3.478 14 HA SER 3 HA SER 3 -32.575 23.848 3.657 15 1HB SER 3 1HB SER 3 -32.406 26.159 2.402 16 2HB SER 3 2HB SER 3 -31.627 25.233 1.134 17 HG SER 3 HG SER 3 -33.493 24.223 0.642 18 H ILE 4 H ILE 4 -30.103 22.516 4.078 19 HA ILE 4 HA ILE 4 -30.069 20.817 1.708 20 HB ILE 4 HB ILE 4 -27.680 22.140 2.973 21 1HG1 ILE 4 1HG1 ILE 4 -28.161 21.856 0.029 22 2HG1 ILE 4 2HG1 ILE 4 -29.108 23.030 0.921 23 1HG2 ILE 4 1HG2 ILE 4 -27.885 19.447 1.847 24 2HG2 ILE 4 2HG2 ILE 4 -26.669 20.461 1.034 25 3HG2 ILE 4 3HG2 ILE 4 -26.583 20.205 2.794 26 1HD1 ILE 4 1HD1 ILE 4 -26.093 22.904 0.594 27 2HD1 ILE 4 2HD1 ILE 4 -27.196 24.253 0.232 28 3HD1 ILE 4 3HD1 ILE 4 -26.832 23.829 1.922 29 H VAL 5 H VAL 5 -28.596 21.226 5.010 30 HA VAL 5 HA VAL 5 -28.177 18.657 5.652 31 HB VAL 5 HB VAL 5 -29.260 20.929 7.313 32 1HG1 VAL 5 1HG1 VAL 5 -29.865 18.826 8.418 33 2HG1 VAL 5 2HG1 VAL 5 -28.181 18.264 8.294 34 3HG1 VAL 5 3HG1 VAL 5 -28.578 19.669 9.313 35 1HG2 VAL 5 1HG2 VAL 5 -26.971 21.197 8.043 36 2HG2 VAL 5 2HG2 VAL 5 -26.472 19.738 7.153 37 3HG2 VAL 5 3HG2 VAL 5 -27.010 21.184 6.263 38 H HIS 6 H HIS 6 -31.317 20.389 6.272 39 HA HIS 6 HA HIS 6 -32.750 18.315 7.215 40 1HB HIS 6 1HB HIS 6 -33.362 20.802 6.756 41 2HB HIS 6 2HB HIS 6 -33.951 20.218 5.212 42 HD1 HIS 6 1HD HIS 6 -34.568 19.798 8.946 43 HD2 HIS 6 2HD HIS 6 -36.434 18.980 5.279 44 HE1 HIS 6 1HE HIS 6 -36.938 19.036 9.504 45 HE2 HIS 6 2HE HIS 6 -38.053 18.600 7.210 46 H LEU 7 H LEU 7 -32.255 19.157 3.721 47 HA LEU 7 HA LEU 7 -33.777 17.102 2.675 48 1HB LEU 7 1HB LEU 7 -32.286 19.184 1.714 49 2HB LEU 7 2HB LEU 7 -31.344 17.805 1.184 50 HG LEU 7 HG LEU 7 -34.290 17.760 0.673 51 1HD1 LEU 7 1HD1 LEU 7 -32.350 19.653 -0.615 52 2HD1 LEU 7 2HD1 LEU 7 -33.677 18.949 -1.570 53 3HD1 LEU 7 3HD1 LEU 7 -34.039 19.912 -0.117 54 1HD2 LEU 7 1HD2 LEU 7 -33.791 16.169 -0.834 55 2HD2 LEU 7 2HD2 LEU 7 -32.343 17.024 -1.419 56 3HD2 LEU 7 3HD2 LEU 7 -32.262 16.052 0.070 57 H CYS 8 H CYS 8 -30.159 17.160 3.066 58 HA CYS 8 HA CYS 8 -29.728 14.552 2.413 59 1HB CYS 8 1HB CYS 8 -28.267 16.594 4.002 60 2HB CYS 8 2HB CYS 8 -27.784 14.931 4.270 61 HG CYS 8 HG CYS 8 -26.174 15.310 2.499 62 H ALA 9 H ALA 9 -31.137 15.997 5.321 63 HA ALA 9 HA ALA 9 -30.709 13.930 7.132 64 1HB ALA 9 1HB ALA 9 -31.936 15.275 8.475 65 2HB ALA 9 2HB ALA 9 -31.933 16.415 7.108 66 3HB ALA 9 3HB ALA 9 -33.306 15.305 7.339 67 H ILE 10 H ILE 10 -33.361 14.507 4.737 68 HA ILE 10 HA ILE 10 -34.659 12.060 5.470 69 HB ILE 10 HB ILE 10 -35.109 14.057 3.253 70 1HG1 ILE 10 1HG1 ILE 10 -37.288 14.031 4.984 71 2HG1 ILE 10 2HG1 ILE 10 -35.912 13.890 6.060 72 1HG2 ILE 10 1HG2 ILE 10 -37.009 12.914 2.562 73 2HG2 ILE 10 2HG2 ILE 10 -35.826 11.608 2.818 74 3HG2 ILE 10 3HG2 ILE 10 -37.080 11.925 4.040 75 1HD1 ILE 10 1HD1 ILE 10 -35.049 15.817 4.235 76 2HD1 ILE 10 2HD1 ILE 10 -36.781 16.183 4.423 77 3HD1 ILE 10 3HD1 ILE 10 -35.718 16.147 5.851 78 H SER 11 H SER 11 -32.746 13.279 2.642 79 HA SER 11 HA SER 11 -32.832 10.786 1.356 80 1HB SER 11 1HB SER 11 -31.480 13.415 0.960 81 2HB SER 11 2HB SER 11 -30.651 12.043 0.253 82 HG SER 11 HG SER 11 -32.117 12.861 -1.288 83 H LEU 12 H LEU 12 -32.207 9.704 3.596 84 HA LEU 12 HA LEU 12 -29.478 8.883 3.321 85 1HB LEU 12 1HB LEU 12 -30.156 10.951 5.207 86 2HB LEU 12 2HB LEU 12 -29.630 9.514 6.061 87 HG LEU 12 HG LEU 12 -28.053 10.844 3.842 88 1HD1 LEU 12 1HD1 LEU 12 -27.427 12.400 5.291 89 2HD1 LEU 12 2HD1 LEU 12 -28.417 11.658 6.571 90 3HD1 LEU 12 3HD1 LEU 12 -26.735 11.129 6.327 91 1HD2 LEU 12 1HD2 LEU 12 -27.457 8.542 3.996 92 2HD2 LEU 12 2HD2 LEU 12 -26.176 9.479 4.803 93 3HD2 LEU 12 3HD2 LEU 12 -27.390 8.611 5.774 94 H ASP 13 H ASP 13 -32.186 8.962 5.751 95 HA ASP 13 HA ASP 13 -31.874 6.606 6.886 96 1HB ASP 13 1HB ASP 13 -33.758 8.199 7.306 97 2HB ASP 13 2HB ASP 13 -34.519 7.695 5.810 98 H ARG 14 H ARG 14 -33.692 7.192 3.779 99 HA ARG 14 HA ARG 14 -34.559 4.789 3.168 100 1HB ARG 14 1HB ARG 14 -34.389 7.044 1.761 101 2HB ARG 14 2HB ARG 14 -32.996 6.273 1.029 102 1HG ARG 14 1HG ARG 14 -35.558 4.687 1.234 103 2HG ARG 14 2HG ARG 14 -35.461 5.948 0.021 104 1HD ARG 14 1HD ARG 14 -33.549 4.913 -1.047 105 2HD ARG 14 2HD ARG 14 -33.291 3.825 0.302 106 HE ARG 14 HE ARG 14 -35.837 3.157 -0.461 107 1HH1 ARG 14 1HH1 ARG 14 -35.341 1.301 -3.374 108 2HH1 ARG 14 2HH1 ARG 14 -36.421 1.634 -2.061 109 1HH2 ARG 14 1HH2 ARG 14 -33.302 2.400 -3.507 110 2HH2 ARG 14 2HH2 ARG 14 -32.859 3.555 -2.293 111 H TYR 15 H TYR 15 -31.141 5.909 2.883 112 HA TYR 15 HA TYR 15 -30.332 3.280 1.927 113 1HB TYR 15 1HB TYR 15 -28.754 5.831 2.628 114 2HB TYR 15 2HB TYR 15 -28.169 4.510 1.637 115 HD1 TYR 15 1HD TYR 15 -30.009 3.973 -0.395 116 HD2 TYR 15 2HD TYR 15 -29.227 7.757 1.442 117 HE1 TYR 15 1HE TYR 15 -30.856 5.166 -2.474 118 HE2 TYR 15 2HE TYR 15 -30.077 8.937 -0.643 119 HH TYR 15 HH TYR 15 -30.233 7.755 -3.443 120 H TRP 16 H TRP 16 -31.411 3.020 4.458 121 HA TRP 16 HA TRP 16 -29.017 2.848 6.159 122 1HB TRP 16 1HB TRP 16 -30.583 4.405 7.088 123 2HB TRP 16 2HB TRP 16 -31.914 3.283 6.889 124 HD1 TRP 16 HD TRP 16 -32.565 2.286 9.203 125 HE1 TRP 16 1HE TRP 16 -31.390 1.501 11.432 126 HE3 TRP 16 3HE TRP 16 -27.835 3.435 7.733 127 HZ2 TRP 16 2HZ TRP 16 -28.675 1.449 12.310 128 HZ3 TRP 16 3HZ TRP 16 -25.979 2.986 9.336 129 HH2 TRP 16 HH TRP 16 -26.339 2.028 11.556 130 H SER 17 H SER 17 -32.333 1.361 5.915 131 HA SER 17 HA SER 17 -31.773 -1.013 6.989 132 1HB SER 17 1HB SER 17 -34.004 -0.167 6.110 133 2HB SER 17 2HB SER 17 -33.502 -0.656 4.503 134 HG SER 17 HG SER 17 -33.056 -2.791 6.050 135 H ILE 18 H ILE 18 -31.490 -0.206 3.450 136 HA ILE 18 HA ILE 18 -30.569 -2.615 2.557 137 HB ILE 18 HB ILE 18 -29.920 0.193 1.670 138 1HG1 ILE 18 1HG1 ILE 18 -31.556 -1.090 -0.194 139 2HG1 ILE 18 2HG1 ILE 18 -32.203 -1.595 1.354 140 1HG2 ILE 18 1HG2 ILE 18 -28.777 -2.335 0.797 141 2HG2 ILE 18 2HG2 ILE 18 -29.619 -1.490 -0.524 142 3HG2 ILE 18 3HG2 ILE 18 -28.325 -0.665 0.378 143 1HD1 ILE 18 1HD1 ILE 18 -32.120 1.122 0.127 144 2HD1 ILE 18 2HD1 ILE 18 -33.319 0.408 1.232 145 3HD1 ILE 18 3HD1 ILE 18 -31.792 1.059 1.876 146 H THR 19 H THR 19 -28.478 0.205 3.518 147 HA THR 19 HA THR 19 -26.046 -0.920 3.339 148 HB THR 19 HB THR 19 -27.273 0.945 5.421 149 HG1 THR 19 1HG THR 19 -26.919 1.348 2.985 150 1HG2 THR 19 1HG2 THR 19 -24.803 -0.384 5.752 151 2HG2 THR 19 2HG2 THR 19 -24.368 1.159 4.978 152 3HG2 THR 19 3HG2 THR 19 -25.270 1.156 6.513 153 H GLN 20 H GLN 20 -28.216 -1.278 6.222 154 HA GLN 20 HA GLN 20 -26.400 -3.143 7.354 155 1HB GLN 20 1HB GLN 20 -29.051 -1.945 8.109 156 2HB GLN 20 2HB GLN 20 -28.600 -3.450 8.885 157 1HG GLN 20 1HG GLN 20 -26.714 -1.057 8.770 158 2HG GLN 20 2HG GLN 20 -27.874 -1.268 10.067 159 1HE2 GLN 20 1HE2 GLN 20 -26.352 -1.521 11.644 160 2HE2 GLN 20 2HE2 GLN 20 -25.348 -2.922 11.812 161 H ALA 21 H ALA 21 -26.692 -4.265 4.986 162 HA ALA 21 HA ALA 21 -27.787 -6.765 5.488 163 1HB ALA 21 1HB ALA 21 -29.664 -4.759 4.386 164 2HB ALA 21 2HB ALA 21 -29.577 -6.276 3.459 165 3HB ALA 21 3HB ALA 21 -29.992 -6.313 5.190 166 H ILE 22 H ILE 22 -27.129 -4.229 3.002 167 HA ILE 22 HA ILE 22 -26.493 -5.918 0.913 168 HB ILE 22 HB ILE 22 -26.735 -3.301 1.171 169 1HG1 ILE 22 1HG1 ILE 22 -24.847 -4.348 -0.937 170 2HG1 ILE 22 2HG1 ILE 22 -26.530 -4.837 -0.902 171 1HG2 ILE 22 1HG2 ILE 22 -24.768 -2.886 2.479 172 2HG2 ILE 22 2HG2 ILE 22 -23.741 -3.739 1.302 173 3HG2 ILE 22 3HG2 ILE 22 -24.519 -2.202 0.855 174 1HD1 ILE 22 1HD1 ILE 22 -26.243 -1.929 -0.562 175 2HD1 ILE 22 2HD1 ILE 22 -25.517 -2.508 -2.081 176 3HD1 ILE 22 3HD1 ILE 22 -27.230 -2.841 -1.730 177 H GLU 23 H GLU 23 -24.486 -4.726 3.658 178 HA GLU 23 HA GLU 23 -22.127 -5.866 2.677 179 1HB GLU 23 1HB GLU 23 -22.333 -4.015 4.409 180 2HB GLU 23 2HB GLU 23 -22.824 -5.227 5.575 181 1HG GLU 23 1HG GLU 23 -20.640 -6.481 4.996 182 2HG GLU 23 2HG GLU 23 -20.152 -5.045 4.118 183 H TYR 24 H TYR 24 -24.930 -7.136 4.376 184 HA TYR 24 HA TYR 24 -23.819 -9.298 5.698 185 1HB TYR 24 1HB TYR 24 -26.274 -8.197 5.380 186 2HB TYR 24 2HB TYR 24 -26.426 -9.390 4.106 187 HD1 TYR 24 1HD TYR 24 -26.551 -11.785 4.626 188 HD2 TYR 24 2HD TYR 24 -26.214 -8.863 7.733 189 HE1 TYR 24 1HE TYR 24 -27.245 -13.524 6.347 190 HE2 TYR 24 2HE TYR 24 -26.909 -10.612 9.443 191 HH TYR 24 HH TYR 24 -28.463 -13.201 8.841 192 H ASN 25 H ASN 25 -24.747 -8.882 2.246 193 HA ASN 25 HA ASN 25 -23.431 -11.438 1.777 194 1HB ASN 25 1HB ASN 25 -26.128 -10.475 0.930 195 2HB ASN 25 2HB ASN 25 -25.183 -11.173 -0.370 196 1HD2 ASN 25 1HD2 ASN 25 -26.945 -11.719 2.520 197 2HD2 ASN 25 2HD2 ASN 25 -26.829 -13.446 2.592 198 H LEU 26 H LEU 26 -21.550 -9.840 1.464 199 HA LEU 26 HA LEU 26 -21.730 -8.582 -1.186 200 1HB LEU 26 1HB LEU 26 -21.635 -6.932 0.603 201 2HB LEU 26 2HB LEU 26 -20.186 -7.677 1.248 202 HG LEU 26 HG LEU 26 -19.256 -7.183 -1.196 203 1HD1 LEU 26 1HD1 LEU 26 -20.594 -5.987 -2.497 204 2HD1 LEU 26 2HD1 LEU 26 -21.793 -5.824 -1.191 205 3HD1 LEU 26 3HD1 LEU 26 -20.469 -4.644 -1.336 206 1HD2 LEU 26 1HD2 LEU 26 -19.497 -5.004 0.895 207 2HD2 LEU 26 2HD2 LEU 26 -18.357 -6.369 0.970 208 3HD2 LEU 26 3HD2 LEU 26 -18.231 -5.177 -0.345 209 H LYS 27 H LYS 27 -19.210 -9.666 1.204 210 HA LYS 27 HA LYS 27 -18.094 -11.315 -0.937 211 1HB LYS 27 1HB LYS 27 -16.987 -8.923 -0.487 212 2HB LYS 27 2HB LYS 27 -16.190 -9.805 0.800 213 1HG LYS 27 1HG LYS 27 -15.040 -11.211 -0.670 214 2HG LYS 27 2HG LYS 27 -16.281 -11.121 -1.905 215 1HD LYS 27 1HD LYS 27 -15.546 -8.985 -2.672 216 2HD LYS 27 2HD LYS 27 -14.665 -8.651 -1.194 217 1HE LYS 27 1HE LYS 27 -13.183 -10.711 -1.832 218 2HE LYS 27 2HE LYS 27 -13.911 -10.583 -3.421 219 1HZ LYS 27 1HZ LYS 27 -12.022 -9.278 -3.505 220 2HZ LYS 27 2HZ LYS 27 -13.212 -8.178 -3.301 221 3HZ LYS 27 3HZ LYS 27 -12.265 -8.600 -2.039 222 H ARG 28 H ARG 28 -19.602 -12.693 0.593 223 HA ARG 28 HA ARG 28 -18.057 -13.449 2.929 224 1HB ARG 28 1HB ARG 28 -20.927 -13.324 2.287 225 2HB ARG 28 2HB ARG 28 -20.494 -14.899 2.923 226 1HG ARG 28 1HG ARG 28 -19.174 -13.483 4.751 227 2HG ARG 28 2HG ARG 28 -20.243 -12.188 4.248 228 1HD ARG 28 1HD ARG 28 -22.197 -13.340 4.958 229 2HD ARG 28 2HD ARG 28 -21.412 -14.907 4.912 230 HE ARG 28 HE ARG 28 -20.541 -14.527 7.063 231 1HH1 ARG 28 1HH1 ARG 28 -20.823 -11.726 9.125 232 2HH1 ARG 28 2HH1 ARG 28 -20.348 -13.389 9.035 233 1HH2 ARG 28 1HH2 ARG 28 -21.655 -10.653 7.242 234 2HH2 ARG 28 2HH2 ARG 28 -21.802 -11.517 5.748 235 H THR 29 H THR 29 -18.251 -15.967 3.426 236 HA THR 29 HA THR 29 -17.690 -18.038 2.844 237 HB THR 29 HB THR 29 -19.327 -17.291 0.365 238 HG1 THR 29 1HG THR 29 -20.826 -17.474 1.986 239 1HG2 THR 29 1HG2 THR 29 -19.580 -19.641 -0.061 240 2HG2 THR 29 2HG2 THR 29 -17.831 -19.430 0.195 241 3HG2 THR 29 3HG2 THR 29 -18.850 -20.081 1.501 242 HA PRO 30 HA PRO 30 -14.222 -16.532 0.363 243 1HB PRO 30 1HB PRO 30 -12.287 -16.638 2.290 244 2HB PRO 30 2HB PRO 30 -13.163 -15.174 1.891 245 1HG PRO 30 1HG PRO 30 -13.475 -16.937 4.243 246 2HG PRO 30 2HG PRO 30 -14.015 -15.284 4.031 247 1HD PRO 30 1HD PRO 30 -15.635 -17.648 3.909 248 2HD PRO 30 2HD PRO 30 -16.152 -16.006 3.583 249 H ARG 31 H ARG 31 -11.880 -17.601 0.165 250 HA ARG 31 HA ARG 31 -12.585 -20.403 0.022 251 1HB ARG 31 1HB ARG 31 -10.487 -20.504 -1.464 252 2HB ARG 31 2HB ARG 31 -11.812 -19.546 -2.093 253 1HG ARG 31 1HG ARG 31 -10.014 -17.961 -0.370 254 2HG ARG 31 2HG ARG 31 -9.167 -18.675 -1.728 255 1HD ARG 31 1HD ARG 31 -11.780 -17.126 -2.043 256 2HD ARG 31 2HD ARG 31 -10.206 -16.363 -2.152 257 HE ARG 31 HE ARG 31 -11.460 -18.001 -4.183 258 1HH1 ARG 31 1HH1 ARG 31 -8.597 -18.261 -6.161 259 2HH1 ARG 31 2HH1 ARG 31 -10.316 -18.466 -6.106 260 1HH2 ARG 31 1HH2 ARG 31 -7.456 -17.516 -4.282 261 2HH2 ARG 31 2HH2 ARG 31 -8.323 -17.163 -2.825 262 H ARG 32 H ARG 32 -11.673 -21.868 1.443 263 HA ARG 32 HA ARG 32 -9.482 -20.853 3.052 264 1HB ARG 32 1HB ARG 32 -11.877 -22.393 3.633 265 2HB ARG 32 2HB ARG 32 -10.480 -23.354 4.076 266 1HG ARG 32 1HG ARG 32 -9.610 -21.161 5.238 267 2HG ARG 32 2HG ARG 32 -11.264 -20.601 5.096 268 1HD ARG 32 1HD ARG 32 -12.066 -22.609 6.344 269 2HD ARG 32 2HD ARG 32 -10.423 -23.207 6.458 270 HE ARG 32 HE ARG 32 -9.946 -21.591 8.113 271 1HH1 ARG 32 1HH1 ARG 32 -12.082 -19.242 9.563 272 2HH1 ARG 32 2HH1 ARG 32 -10.546 -20.036 9.676 273 1HH2 ARG 32 1HH2 ARG 32 -13.530 -19.760 7.825 274 2HH2 ARG 32 2HH2 ARG 32 -13.075 -20.939 6.640 Start of MODEL 7 1 H THR 1 H THR 1 -28.353 25.341 1.219 2 HA THR 1 HA THR 1 -26.766 24.781 2.676 3 HB THR 1 HB THR 1 -27.635 27.453 3.863 4 HG1 THR 1 1HG THR 1 -25.727 28.020 2.733 5 1HG2 THR 1 1HG2 THR 1 -26.466 26.975 5.769 6 2HG2 THR 1 2HG2 THR 1 -26.038 25.362 5.149 7 3HG2 THR 1 3HG2 THR 1 -25.020 26.767 4.752 8 H SER 2 H SER 2 -29.584 26.070 4.568 9 HA SER 2 HA SER 2 -29.311 23.752 6.269 10 1HB SER 2 1HB SER 2 -30.106 26.456 6.671 11 2HB SER 2 2HB SER 2 -31.547 25.496 6.940 12 HG SER 2 HG SER 2 -30.700 24.644 8.734 13 H SER 3 H SER 3 -30.471 24.018 3.329 14 HA SER 3 HA SER 3 -33.094 22.914 3.923 15 1HB SER 3 1HB SER 3 -32.119 24.729 1.918 16 2HB SER 3 2HB SER 3 -32.650 23.277 1.092 17 HG SER 3 HG SER 3 -34.703 23.466 2.285 18 H ILE 4 H ILE 4 -29.879 22.247 2.609 19 HA ILE 4 HA ILE 4 -30.642 19.845 1.269 20 HB ILE 4 HB ILE 4 -27.994 21.066 2.032 21 1HG1 ILE 4 1HG1 ILE 4 -29.047 20.659 -0.756 22 2HG1 ILE 4 2HG1 ILE 4 -29.602 22.021 0.197 23 1HG2 ILE 4 1HG2 ILE 4 -28.588 18.456 0.636 24 2HG2 ILE 4 2HG2 ILE 4 -27.057 19.336 0.414 25 3HG2 ILE 4 3HG2 ILE 4 -27.526 18.760 2.031 26 1HD1 ILE 4 1HD1 ILE 4 -27.022 22.406 0.665 27 2HD1 ILE 4 2HD1 ILE 4 -26.813 21.410 -0.795 28 3HD1 ILE 4 3HD1 ILE 4 -27.730 22.934 -0.881 29 H VAL 5 H VAL 5 -28.661 20.519 4.246 30 HA VAL 5 HA VAL 5 -28.314 18.015 5.144 31 HB VAL 5 HB VAL 5 -29.009 20.523 6.676 32 1HG1 VAL 5 1HG1 VAL 5 -28.501 17.774 7.628 33 2HG1 VAL 5 2HG1 VAL 5 -27.510 19.030 8.407 34 3HG1 VAL 5 3HG1 VAL 5 -29.286 19.148 8.443 35 1HG2 VAL 5 1HG2 VAL 5 -26.567 19.425 5.427 36 2HG2 VAL 5 2HG2 VAL 5 -26.999 21.104 5.831 37 3HG2 VAL 5 3HG2 VAL 5 -26.355 20.023 7.090 38 H HIS 6 H HIS 6 -31.197 20.065 6.001 39 HA HIS 6 HA HIS 6 -32.608 18.279 7.411 40 1HB HIS 6 1HB HIS 6 -33.124 20.715 6.593 41 2HB HIS 6 2HB HIS 6 -34.006 19.913 5.309 42 HD1 HIS 6 1HD HIS 6 -34.741 21.463 8.332 43 HD2 HIS 6 2HD HIS 6 -35.735 17.691 6.789 44 HE1 HIS 6 1HE HIS 6 -36.805 20.686 9.616 45 HE2 HIS 6 2HE HIS 6 -37.401 18.388 8.586 46 H LEU 7 H LEU 7 -32.833 18.626 3.794 47 HA LEU 7 HA LEU 7 -34.461 16.402 3.439 48 1HB LEU 7 1HB LEU 7 -33.336 18.399 1.879 49 2HB LEU 7 2HB LEU 7 -32.620 16.931 1.243 50 HG LEU 7 HG LEU 7 -35.585 17.007 1.668 51 1HD1 LEU 7 1HD1 LEU 7 -35.928 17.997 -0.550 52 2HD1 LEU 7 2HD1 LEU 7 -35.135 19.133 0.567 53 3HD1 LEU 7 3HD1 LEU 7 -34.179 18.302 -0.684 54 1HD2 LEU 7 1HD2 LEU 7 -34.804 15.853 -0.804 55 2HD2 LEU 7 2HD2 LEU 7 -33.681 15.259 0.443 56 3HD2 LEU 7 3HD2 LEU 7 -35.436 15.045 0.650 57 H CYS 8 H CYS 8 -30.876 16.756 3.538 58 HA CYS 8 HA CYS 8 -30.189 14.248 2.702 59 1HB CYS 8 1HB CYS 8 -28.658 16.202 3.237 60 2HB CYS 8 2HB CYS 8 -28.780 15.750 4.926 61 HG CYS 8 HG CYS 8 -26.526 14.843 3.975 62 H ALA 9 H ALA 9 -31.705 15.366 5.702 63 HA ALA 9 HA ALA 9 -31.060 13.317 7.426 64 1HB ALA 9 1HB ALA 9 -32.380 15.521 7.775 65 2HB ALA 9 2HB ALA 9 -33.807 14.582 7.274 66 3HB ALA 9 3HB ALA 9 -32.881 14.094 8.713 67 H ILE 10 H ILE 10 -33.464 13.470 4.763 68 HA ILE 10 HA ILE 10 -34.512 10.878 5.444 69 HB ILE 10 HB ILE 10 -35.038 12.894 3.278 70 1HG1 ILE 10 1HG1 ILE 10 -37.401 12.211 4.559 71 2HG1 ILE 10 2HG1 ILE 10 -36.224 12.165 5.857 72 1HG2 ILE 10 1HG2 ILE 10 -35.756 11.311 1.900 73 2HG2 ILE 10 2HG2 ILE 10 -35.434 10.040 3.105 74 3HG2 ILE 10 3HG2 ILE 10 -36.999 10.890 3.103 75 1HD1 ILE 10 1HD1 ILE 10 -37.275 14.479 4.368 76 2HD1 ILE 10 2HD1 ILE 10 -36.461 14.425 5.950 77 3HD1 ILE 10 3HD1 ILE 10 -35.497 14.472 4.454 78 H SER 11 H SER 11 -32.645 12.324 2.681 79 HA SER 11 HA SER 11 -32.262 10.124 1.221 80 1HB SER 11 1HB SER 11 -30.318 12.375 1.867 81 2HB SER 11 2HB SER 11 -29.962 11.160 0.655 82 HG SER 11 HG SER 11 -31.580 13.376 0.465 83 H LEU 12 H LEU 12 -30.480 11.090 4.207 84 HA LEU 12 HA LEU 12 -28.523 9.130 4.132 85 1HB LEU 12 1HB LEU 12 -28.178 10.847 5.627 86 2HB LEU 12 2HB LEU 12 -29.809 10.782 6.263 87 HG LEU 12 HG LEU 12 -29.255 8.634 7.397 88 1HD1 LEU 12 1HD1 LEU 12 -26.400 8.834 7.382 89 2HD1 LEU 12 2HD1 LEU 12 -27.437 7.472 6.894 90 3HD1 LEU 12 3HD1 LEU 12 -26.982 8.715 5.704 91 1HD2 LEU 12 1HD2 LEU 12 -27.924 9.624 9.186 92 2HD2 LEU 12 2HD2 LEU 12 -27.446 10.959 8.110 93 3HD2 LEU 12 3HD2 LEU 12 -29.149 10.770 8.592 94 H ASP 13 H ASP 13 -31.668 9.088 5.962 95 HA ASP 13 HA ASP 13 -31.533 6.610 6.939 96 1HB ASP 13 1HB ASP 13 -33.522 8.545 6.579 97 2HB ASP 13 2HB ASP 13 -34.173 7.168 5.713 98 H ARG 14 H ARG 14 -32.840 7.601 3.685 99 HA ARG 14 HA ARG 14 -33.698 5.305 2.712 100 1HB ARG 14 1HB ARG 14 -32.489 7.736 1.584 101 2HB ARG 14 2HB ARG 14 -32.157 6.348 0.567 102 1HG ARG 14 1HG ARG 14 -34.392 6.022 0.026 103 2HG ARG 14 2HG ARG 14 -34.967 6.581 1.584 104 1HD ARG 14 1HD ARG 14 -34.044 8.942 0.755 105 2HD ARG 14 2HD ARG 14 -34.168 8.218 -0.836 106 HE ARG 14 HE ARG 14 -36.381 9.039 0.874 107 1HH1 ARG 14 1HH1 ARG 14 -38.818 7.728 -1.253 108 2HH1 ARG 14 2HH1 ARG 14 -38.513 8.770 0.096 109 1HH2 ARG 14 1HH2 ARG 14 -37.060 6.604 -2.271 110 2HH2 ARG 14 2HH2 ARG 14 -35.445 6.808 -1.681 111 H TYR 15 H TYR 15 -30.237 6.346 2.903 112 HA TYR 15 HA TYR 15 -29.309 3.905 1.703 113 1HB TYR 15 1HB TYR 15 -27.997 6.218 3.265 114 2HB TYR 15 2HB TYR 15 -27.092 5.012 2.371 115 HD1 TYR 15 1HD TYR 15 -28.193 8.275 2.229 116 HD2 TYR 15 2HD TYR 15 -28.059 4.757 -0.202 117 HE1 TYR 15 1HE TYR 15 -28.340 9.708 0.134 118 HE2 TYR 15 2HE TYR 15 -28.206 6.202 -2.289 119 HH TYR 15 HH TYR 15 -27.447 8.897 -2.668 120 H TRP 16 H TRP 16 -29.847 5.220 4.973 121 HA TRP 16 HA TRP 16 -28.202 3.618 6.460 122 1HB TRP 16 1HB TRP 16 -29.475 5.432 7.405 123 2HB TRP 16 2HB TRP 16 -30.989 4.621 7.056 124 HD1 TRP 16 HD TRP 16 -31.973 3.662 9.267 125 HE1 TRP 16 1HE TRP 16 -31.126 2.506 11.483 126 HE3 TRP 16 3HE TRP 16 -27.028 3.844 8.095 127 HZ2 TRP 16 2HZ TRP 16 -28.542 1.812 12.475 128 HZ3 TRP 16 3HZ TRP 16 -25.409 2.906 9.742 129 HH2 TRP 16 HH TRP 16 -26.096 1.915 11.869 130 H SER 17 H SER 17 -31.636 2.959 5.438 131 HA SER 17 HA SER 17 -31.338 0.241 6.265 132 1HB SER 17 1HB SER 17 -33.483 1.976 6.060 133 2HB SER 17 2HB SER 17 -33.707 0.985 4.632 134 HG SER 17 HG SER 17 -33.786 -0.894 5.920 135 H ILE 18 H ILE 18 -29.361 0.503 4.481 136 HA ILE 18 HA ILE 18 -30.287 -1.095 2.267 137 HB ILE 18 HB ILE 18 -29.275 1.705 1.940 138 1HG1 ILE 18 1HG1 ILE 18 -31.532 0.061 0.782 139 2HG1 ILE 18 2HG1 ILE 18 -31.638 1.490 1.790 140 1HG2 ILE 18 1HG2 ILE 18 -27.666 0.284 0.746 141 2HG2 ILE 18 2HG2 ILE 18 -29.006 -0.485 -0.139 142 3HG2 ILE 18 3HG2 ILE 18 -28.664 1.246 -0.371 143 1HD1 ILE 18 1HD1 ILE 18 -30.300 2.674 -0.147 144 2HD1 ILE 18 2HD1 ILE 18 -30.837 1.286 -1.123 145 3HD1 ILE 18 3HD1 ILE 18 -32.038 2.357 -0.363 146 H THR 19 H THR 19 -27.472 0.835 3.523 147 HA THR 19 HA THR 19 -25.577 -1.072 2.634 148 HB THR 19 HB THR 19 -25.589 1.325 4.517 149 HG1 THR 19 1HG THR 19 -24.814 2.202 2.607 150 1HG2 THR 19 1HG2 THR 19 -23.066 -0.073 3.554 151 2HG2 THR 19 2HG2 THR 19 -23.240 1.138 4.846 152 3HG2 THR 19 3HG2 THR 19 -23.799 -0.532 5.110 153 H GLN 20 H GLN 20 -27.420 -0.626 5.664 154 HA GLN 20 HA GLN 20 -25.873 -2.654 6.950 155 1HB GLN 20 1HB GLN 20 -26.873 -0.659 8.144 156 2HB GLN 20 2HB GLN 20 -28.466 -1.333 7.862 157 1HG GLN 20 1HG GLN 20 -27.894 -2.075 10.052 158 2HG GLN 20 2HG GLN 20 -27.620 -3.476 9.036 159 1HE2 GLN 20 1HE2 GLN 20 -26.466 -2.486 11.629 160 2HE2 GLN 20 2HE2 GLN 20 -24.746 -2.548 11.436 161 H ALA 21 H ALA 21 -26.669 -3.888 4.714 162 HA ALA 21 HA ALA 21 -28.126 -6.070 5.603 163 1HB ALA 21 1HB ALA 21 -29.734 -4.040 4.006 164 2HB ALA 21 2HB ALA 21 -30.208 -5.744 4.209 165 3HB ALA 21 3HB ALA 21 -30.098 -4.676 5.628 166 H ILE 22 H ILE 22 -27.193 -3.915 2.887 167 HA ILE 22 HA ILE 22 -27.204 -5.922 0.922 168 HB ILE 22 HB ILE 22 -27.088 -3.277 0.858 169 1HG1 ILE 22 1HG1 ILE 22 -25.715 -4.851 -1.323 170 2HG1 ILE 22 2HG1 ILE 22 -27.427 -5.036 -0.994 171 1HG2 ILE 22 1HG2 ILE 22 -24.197 -4.013 0.351 172 2HG2 ILE 22 2HG2 ILE 22 -24.940 -2.397 0.308 173 3HG2 ILE 22 3HG2 ILE 22 -24.787 -3.264 1.854 174 1HD1 ILE 22 1HD1 ILE 22 -26.325 -3.108 -2.653 175 2HD1 ILE 22 2HD1 ILE 22 -27.947 -3.019 -1.926 176 3HD1 ILE 22 3HD1 ILE 22 -26.574 -2.203 -1.141 177 H GLU 23 H GLU 23 -24.728 -4.722 3.240 178 HA GLU 23 HA GLU 23 -22.712 -6.354 2.115 179 1HB GLU 23 1HB GLU 23 -22.943 -4.317 4.182 180 2HB GLU 23 2HB GLU 23 -22.007 -5.670 4.786 181 1HG GLU 23 1HG GLU 23 -20.394 -5.497 3.018 182 2HG GLU 23 2HG GLU 23 -21.444 -4.490 2.040 183 H TYR 24 H TYR 24 -25.284 -6.759 4.486 184 HA TYR 24 HA TYR 24 -24.157 -8.893 5.935 185 1HB TYR 24 1HB TYR 24 -26.824 -7.584 5.352 186 2HB TYR 24 2HB TYR 24 -26.917 -9.215 5.987 187 HD1 TYR 24 1HD TYR 24 -26.301 -5.732 6.766 188 HD2 TYR 24 2HD TYR 24 -25.895 -9.727 8.242 189 HE1 TYR 24 1HE TYR 24 -26.009 -4.837 9.127 190 HE2 TYR 24 2HE TYR 24 -25.605 -8.819 10.599 191 HH TYR 24 HH TYR 24 -26.015 -5.388 11.271 192 H ASN 25 H ASN 25 -26.022 -8.678 2.879 193 HA ASN 25 HA ASN 25 -25.610 -11.554 2.631 194 1HB ASN 25 1HB ASN 25 -28.045 -9.871 2.206 195 2HB ASN 25 2HB ASN 25 -27.728 -11.015 0.917 196 1HD2 ASN 25 1HD2 ASN 25 -28.933 -10.534 4.036 197 2HD2 ASN 25 2HD2 ASN 25 -29.228 -12.177 4.499 198 H LEU 26 H LEU 26 -23.516 -10.738 1.587 199 HA LEU 26 HA LEU 26 -24.046 -9.945 -1.187 200 1HB LEU 26 1HB LEU 26 -23.129 -8.132 0.410 201 2HB LEU 26 2HB LEU 26 -21.624 -9.026 0.334 202 HG LEU 26 HG LEU 26 -22.874 -8.360 -2.278 203 1HD1 LEU 26 1HD1 LEU 26 -21.332 -6.083 -1.535 204 2HD1 LEU 26 2HD1 LEU 26 -23.046 -6.168 -2.008 205 3HD1 LEU 26 3HD1 LEU 26 -22.586 -6.333 -0.296 206 1HD2 LEU 26 1HD2 LEU 26 -20.632 -8.143 -3.010 207 2HD2 LEU 26 2HD2 LEU 26 -20.019 -8.015 -1.344 208 3HD2 LEU 26 3HD2 LEU 26 -20.675 -9.561 -1.934 209 H LYS 27 H LYS 27 -21.238 -10.994 0.871 210 HA LYS 27 HA LYS 27 -21.007 -13.327 -0.876 211 1HB LYS 27 1HB LYS 27 -19.468 -11.309 -1.499 212 2HB LYS 27 2HB LYS 27 -18.551 -11.779 -0.082 213 1HG LYS 27 1HG LYS 27 -18.242 -14.056 -0.971 214 2HG LYS 27 2HG LYS 27 -19.292 -13.708 -2.331 215 1HD LYS 27 1HD LYS 27 -17.053 -13.473 -3.165 216 2HD LYS 27 2HD LYS 27 -17.665 -11.840 -2.989 217 1HE LYS 27 1HE LYS 27 -16.216 -11.330 -1.266 218 2HE LYS 27 2HE LYS 27 -16.323 -12.929 -0.557 219 1HZ LYS 27 1HZ LYS 27 -14.686 -12.087 -2.829 220 2HZ LYS 27 2HZ LYS 27 -14.200 -12.776 -1.431 221 3HZ LYS 27 3HZ LYS 27 -14.995 -13.665 -2.547 222 H ARG 28 H ARG 28 -22.269 -13.929 1.247 223 HA ARG 28 HA ARG 28 -20.529 -14.183 3.497 224 1HB ARG 28 1HB ARG 28 -23.404 -14.334 2.969 225 2HB ARG 28 2HB ARG 28 -22.897 -15.722 3.912 226 1HG ARG 28 1HG ARG 28 -21.830 -14.233 5.586 227 2HG ARG 28 2HG ARG 28 -22.234 -12.825 4.624 228 1HD ARG 28 1HD ARG 28 -24.060 -12.781 6.047 229 2HD ARG 28 2HD ARG 28 -24.725 -13.851 4.830 230 HE ARG 28 HE ARG 28 -23.403 -15.586 6.542 231 1HH1 ARG 28 1HH1 ARG 28 -25.707 -15.880 9.146 232 2HH1 ARG 28 2HH1 ARG 28 -24.350 -16.607 8.354 233 1HH2 ARG 28 1HH2 ARG 28 -26.566 -13.869 8.367 234 2HH2 ARG 28 2HH2 ARG 28 -25.848 -13.096 6.993 235 H THR 29 H THR 29 -20.252 -16.387 4.591 236 HA THR 29 HA THR 29 -19.970 -18.470 2.527 237 HB THR 29 HB THR 29 -18.077 -19.261 3.972 238 HG1 THR 29 1HG THR 29 -18.053 -18.382 6.005 239 1HG2 THR 29 1HG2 THR 29 -17.902 -17.143 2.287 240 2HG2 THR 29 2HG2 THR 29 -17.590 -16.290 3.818 241 3HG2 THR 29 3HG2 THR 29 -16.534 -17.632 3.315 242 HA PRO 30 HA PRO 30 -22.567 -21.037 4.777 243 1HB PRO 30 1HB PRO 30 -21.571 -23.528 4.257 244 2HB PRO 30 2HB PRO 30 -22.568 -22.638 3.123 245 1HG PRO 30 1HG PRO 30 -19.650 -23.110 3.053 246 2HG PRO 30 2HG PRO 30 -20.713 -22.609 1.753 247 1HD PRO 30 1HD PRO 30 -18.905 -20.943 3.230 248 2HD PRO 30 2HD PRO 30 -20.050 -20.422 2.010 249 H ARG 31 H ARG 31 -21.930 -20.010 6.808 250 HA ARG 31 HA ARG 31 -20.658 -22.078 8.397 251 1HB ARG 31 1HB ARG 31 -19.382 -20.373 9.654 252 2HB ARG 31 2HB ARG 31 -18.982 -20.276 7.951 253 1HG ARG 31 1HG ARG 31 -19.401 -18.037 8.251 254 2HG ARG 31 2HG ARG 31 -21.067 -18.520 7.999 255 1HD ARG 31 1HD ARG 31 -21.182 -17.270 10.007 256 2HD ARG 31 2HD ARG 31 -21.145 -18.924 10.584 257 HE ARG 31 HE ARG 31 -18.466 -17.807 10.317 258 1HH1 ARG 31 1HH1 ARG 31 -18.088 -17.287 13.747 259 2HH1 ARG 31 2HH1 ARG 31 -17.277 -17.368 12.218 260 1HH2 ARG 31 1HH2 ARG 31 -20.381 -17.625 13.864 261 2HH2 ARG 31 2HH2 ARG 31 -21.282 -17.958 12.422 262 H ARG 32 H ARG 32 -21.406 -22.154 10.638 263 HA ARG 32 HA ARG 32 -23.597 -20.342 11.202 264 1HB ARG 32 1HB ARG 32 -23.664 -23.360 11.103 265 2HB ARG 32 2HB ARG 32 -24.611 -22.571 12.349 266 1HG ARG 32 1HG ARG 32 -25.584 -21.081 10.465 267 2HG ARG 32 2HG ARG 32 -24.837 -22.192 9.333 268 1HD ARG 32 1HD ARG 32 -26.564 -23.335 11.538 269 2HD ARG 32 2HD ARG 32 -27.353 -22.565 10.176 270 HE ARG 32 HE ARG 32 -26.604 -24.302 8.754 271 1HH1 ARG 32 1HH1 ARG 32 -24.870 -27.209 9.602 272 2HH1 ARG 32 2HH1 ARG 32 -25.782 -26.400 8.372 273 1HH2 ARG 32 1HH2 ARG 32 -24.481 -26.163 11.637 274 2HH2 ARG 32 2HH2 ARG 32 -25.104 -24.573 11.926 Start of MODEL 8 1 H THR 1 H THR 1 -28.464 27.500 2.932 2 HA THR 1 HA THR 1 -27.034 25.798 3.364 3 HB THR 1 HB THR 1 -25.906 27.864 4.133 4 HG1 THR 1 1HG THR 1 -24.411 26.491 5.034 5 1HG2 THR 1 1HG2 THR 1 -26.032 28.674 6.369 6 2HG2 THR 1 2HG2 THR 1 -27.730 28.291 5.997 7 3HG2 THR 1 3HG2 THR 1 -26.754 27.162 6.969 8 H SER 2 H SER 2 -28.919 26.590 6.343 9 HA SER 2 HA SER 2 -28.496 23.895 7.244 10 1HB SER 2 1HB SER 2 -29.503 26.445 8.407 11 2HB SER 2 2HB SER 2 -30.292 25.005 9.017 12 HG SER 2 HG SER 2 -27.773 24.309 9.073 13 H SER 3 H SER 3 -30.574 25.490 5.104 14 HA SER 3 HA SER 3 -32.858 23.865 5.824 15 1HB SER 3 1HB SER 3 -33.111 26.329 5.290 16 2HB SER 3 2HB SER 3 -32.608 25.986 3.647 17 HG SER 3 HG SER 3 -34.844 25.929 3.599 18 H ILE 4 H ILE 4 -30.338 22.692 4.742 19 HA ILE 4 HA ILE 4 -31.532 21.426 2.396 20 HB ILE 4 HB ILE 4 -28.911 22.856 2.537 21 1HG1 ILE 4 1HG1 ILE 4 -30.344 22.676 -0.009 22 2HG1 ILE 4 2HG1 ILE 4 -31.339 23.336 1.274 23 1HG2 ILE 4 1HG2 ILE 4 -29.411 20.233 1.229 24 2HG2 ILE 4 2HG2 ILE 4 -28.539 21.462 0.282 25 3HG2 ILE 4 3HG2 ILE 4 -27.905 20.941 1.861 26 1HD1 ILE 4 1HD1 ILE 4 -29.572 24.999 1.817 27 2HD1 ILE 4 2HD1 ILE 4 -28.547 24.323 0.528 28 3HD1 ILE 4 3HD1 ILE 4 -30.079 25.128 0.116 29 H VAL 5 H VAL 5 -28.590 21.373 4.538 30 HA VAL 5 HA VAL 5 -27.945 18.777 4.379 31 HB VAL 5 HB VAL 5 -27.995 20.664 6.725 32 1HG1 VAL 5 1HG1 VAL 5 -26.146 18.822 7.473 33 2HG1 VAL 5 2HG1 VAL 5 -27.835 18.824 8.036 34 3HG1 VAL 5 3HG1 VAL 5 -27.348 17.771 6.687 35 1HG2 VAL 5 1HG2 VAL 5 -25.451 20.456 6.277 36 2HG2 VAL 5 2HG2 VAL 5 -25.937 19.765 4.711 37 3HG2 VAL 5 3HG2 VAL 5 -26.439 21.416 5.150 38 H HIS 6 H HIS 6 -30.339 20.105 6.777 39 HA HIS 6 HA HIS 6 -31.140 17.846 7.946 40 1HB HIS 6 1HB HIS 6 -31.986 20.361 8.030 41 2HB HIS 6 2HB HIS 6 -33.277 19.731 7.027 42 HD1 HIS 6 1HD HIS 6 -31.705 19.203 10.459 43 HD2 HIS 6 2HD HIS 6 -35.238 18.318 8.378 44 HE1 HIS 6 1HE HIS 6 -33.326 18.241 12.179 45 HE2 HIS 6 2HE HIS 6 -35.497 17.767 10.853 46 H LEU 7 H LEU 7 -32.396 19.083 4.774 47 HA LEU 7 HA LEU 7 -34.118 16.939 4.323 48 1HB LEU 7 1HB LEU 7 -33.775 19.294 3.181 49 2HB LEU 7 2HB LEU 7 -32.775 18.374 2.074 50 HG LEU 7 HG LEU 7 -35.034 16.826 2.151 51 1HD1 LEU 7 1HD1 LEU 7 -36.594 19.118 1.647 52 2HD1 LEU 7 2HD1 LEU 7 -36.777 17.932 2.962 53 3HD1 LEU 7 3HD1 LEU 7 -35.791 19.392 3.212 54 1HD2 LEU 7 1HD2 LEU 7 -35.515 17.706 -0.060 55 2HD2 LEU 7 2HD2 LEU 7 -34.511 19.139 0.264 56 3HD2 LEU 7 3HD2 LEU 7 -33.758 17.529 0.166 57 H CYS 8 H CYS 8 -30.667 17.489 3.393 58 HA CYS 8 HA CYS 8 -30.257 15.339 1.816 59 1HB CYS 8 1HB CYS 8 -28.600 17.145 2.489 60 2HB CYS 8 2HB CYS 8 -28.287 16.221 3.945 61 HG CYS 8 HG CYS 8 -28.401 14.163 1.616 62 H ALA 9 H ALA 9 -30.956 15.475 5.279 63 HA ALA 9 HA ALA 9 -30.131 12.733 5.707 64 1HB ALA 9 1HB ALA 9 -30.507 13.186 7.991 65 2HB ALA 9 2HB ALA 9 -29.913 14.735 7.347 66 3HB ALA 9 3HB ALA 9 -31.654 14.501 7.637 67 H ILE 10 H ILE 10 -31.926 12.739 3.635 68 HA ILE 10 HA ILE 10 -34.239 11.511 4.922 69 HB ILE 10 HB ILE 10 -34.344 13.639 2.787 70 1HG1 ILE 10 1HG1 ILE 10 -34.198 14.394 5.156 71 2HG1 ILE 10 2HG1 ILE 10 -35.670 14.882 4.340 72 1HG2 ILE 10 1HG2 ILE 10 -35.985 12.370 1.908 73 2HG2 ILE 10 2HG2 ILE 10 -36.212 11.427 3.401 74 3HG2 ILE 10 3HG2 ILE 10 -36.941 13.044 3.250 75 1HD1 ILE 10 1HD1 ILE 10 -36.880 12.948 5.374 76 2HD1 ILE 10 2HD1 ILE 10 -35.386 12.503 6.233 77 3HD1 ILE 10 3HD1 ILE 10 -36.195 14.047 6.596 78 H SER 11 H SER 11 -32.577 12.209 1.768 79 HA SER 11 HA SER 11 -33.575 9.908 0.557 80 1HB SER 11 1HB SER 11 -32.374 12.112 -0.382 81 2HB SER 11 2HB SER 11 -30.942 11.106 -0.292 82 HG SER 11 HG SER 11 -32.289 11.101 -2.363 83 H LEU 12 H LEU 12 -30.519 10.675 2.318 84 HA LEU 12 HA LEU 12 -29.240 8.243 1.774 85 1HB LEU 12 1HB LEU 12 -28.889 10.092 4.137 86 2HB LEU 12 2HB LEU 12 -27.759 8.866 3.597 87 HG LEU 12 HG LEU 12 -28.581 11.249 1.917 88 1HD1 LEU 12 1HD1 LEU 12 -25.863 11.378 2.853 89 2HD1 LEU 12 2HD1 LEU 12 -27.184 12.558 3.036 90 3HD1 LEU 12 3HD1 LEU 12 -26.978 11.260 4.236 91 1HD2 LEU 12 1HD2 LEU 12 -26.010 9.878 1.443 92 2HD2 LEU 12 2HD2 LEU 12 -27.465 8.923 1.069 93 3HD2 LEU 12 3HD2 LEU 12 -27.216 10.506 0.294 94 H ASP 13 H ASP 13 -31.188 9.357 4.628 95 HA ASP 13 HA ASP 13 -31.004 7.196 6.174 96 1HB ASP 13 1HB ASP 13 -32.494 9.413 6.279 97 2HB ASP 13 2HB ASP 13 -33.753 8.357 5.670 98 H ARG 14 H ARG 14 -32.875 7.618 3.146 99 HA ARG 14 HA ARG 14 -34.573 5.503 3.340 100 1HB ARG 14 1HB ARG 14 -34.222 7.368 1.479 101 2HB ARG 14 2HB ARG 14 -33.207 6.164 0.710 102 1HG ARG 14 1HG ARG 14 -35.282 4.553 1.124 103 2HG ARG 14 2HG ARG 14 -36.181 6.050 1.271 104 1HD ARG 14 1HD ARG 14 -34.858 6.648 -1.006 105 2HD ARG 14 2HD ARG 14 -34.783 4.903 -1.144 106 HE ARG 14 HE ARG 14 -37.120 4.827 -1.464 107 1HH1 ARG 14 1HH1 ARG 14 -39.406 7.458 -1.624 108 2HH1 ARG 14 2HH1 ARG 14 -39.152 5.770 -1.915 109 1HH2 ARG 14 1HH2 ARG 14 -37.683 8.763 -0.777 110 2HH2 ARG 14 2HH2 ARG 14 -36.143 8.047 -0.435 111 H TYR 15 H TYR 15 -31.109 5.630 2.400 112 HA TYR 15 HA TYR 15 -31.104 2.807 1.733 113 1HB TYR 15 1HB TYR 15 -28.957 5.009 1.954 114 2HB TYR 15 2HB TYR 15 -28.666 3.426 1.262 115 HD1 TYR 15 1HD TYR 15 -30.607 2.825 -0.629 116 HD2 TYR 15 2HD TYR 15 -29.163 6.716 0.410 117 HE1 TYR 15 1HE TYR 15 -31.306 3.702 -2.911 118 HE2 TYR 15 2HE TYR 15 -29.866 7.579 -1.876 119 HH TYR 15 HH TYR 15 -31.115 7.128 -3.661 120 H TRP 16 H TRP 16 -30.401 4.961 4.437 121 HA TRP 16 HA TRP 16 -28.485 3.587 5.809 122 1HB TRP 16 1HB TRP 16 -29.157 5.664 6.637 123 2HB TRP 16 2HB TRP 16 -30.851 5.216 6.686 124 HD1 TRP 16 HD TRP 16 -31.628 4.892 9.149 125 HE1 TRP 16 1HE TRP 16 -30.655 4.030 11.445 126 HE3 TRP 16 3HE TRP 16 -26.997 3.780 7.368 127 HZ2 TRP 16 2HZ TRP 16 -28.114 3.002 12.241 128 HZ3 TRP 16 3HZ TRP 16 -25.329 2.851 8.971 129 HH2 TRP 16 HH TRP 16 -25.825 2.459 11.332 130 H SER 17 H SER 17 -31.941 2.841 5.285 131 HA SER 17 HA SER 17 -31.694 0.580 7.077 132 1HB SER 17 1HB SER 17 -33.791 2.365 6.501 133 2HB SER 17 2HB SER 17 -34.271 0.886 5.692 134 HG SER 17 HG SER 17 -34.190 1.468 8.405 135 H ILE 18 H ILE 18 -30.144 0.569 4.626 136 HA ILE 18 HA ILE 18 -31.366 -1.763 3.377 137 HB ILE 18 HB ILE 18 -30.660 0.804 2.021 138 1HG1 ILE 18 1HG1 ILE 18 -32.837 -1.206 1.406 139 2HG1 ILE 18 2HG1 ILE 18 -33.025 0.056 2.608 140 1HG2 ILE 18 1HG2 ILE 18 -30.411 -1.949 0.786 141 2HG2 ILE 18 2HG2 ILE 18 -30.548 -0.439 -0.147 142 3HG2 ILE 18 3HG2 ILE 18 -29.153 -0.697 0.927 143 1HD1 ILE 18 1HD1 ILE 18 -33.550 1.529 0.977 144 2HD1 ILE 18 2HD1 ILE 18 -31.943 1.291 0.249 145 3HD1 ILE 18 3HD1 ILE 18 -33.307 0.262 -0.249 146 H THR 19 H THR 19 -28.494 0.429 3.637 147 HA THR 19 HA THR 19 -26.570 -1.257 2.669 148 HB THR 19 HB THR 19 -26.627 0.862 4.861 149 HG1 THR 19 1HG THR 19 -25.816 2.031 3.062 150 1HG2 THR 19 1HG2 THR 19 -23.995 0.675 3.937 151 2HG2 THR 19 2HG2 THR 19 -24.556 0.120 5.532 152 3HG2 THR 19 3HG2 THR 19 -24.446 -1.030 4.178 153 H GLN 20 H GLN 20 -28.212 -1.367 5.843 154 HA GLN 20 HA GLN 20 -26.465 -3.106 7.062 155 1HB GLN 20 1HB GLN 20 -29.070 -1.990 7.564 156 2HB GLN 20 2HB GLN 20 -29.160 -3.709 7.890 157 1HG GLN 20 1HG GLN 20 -27.141 -1.747 9.073 158 2HG GLN 20 2HG GLN 20 -28.467 -2.513 9.926 159 1HE2 GLN 20 1HE2 GLN 20 -25.321 -2.551 9.780 160 2HE2 GLN 20 2HE2 GLN 20 -24.928 -4.223 10.003 161 H ALA 21 H ALA 21 -29.138 -3.670 4.745 162 HA ALA 21 HA ALA 21 -28.767 -6.549 4.995 163 1HB ALA 21 1HB ALA 21 -30.683 -5.244 3.080 164 2HB ALA 21 2HB ALA 21 -30.862 -6.743 4.023 165 3HB ALA 21 3HB ALA 21 -31.026 -5.162 4.825 166 H ILE 22 H ILE 22 -26.414 -5.728 4.165 167 HA ILE 22 HA ILE 22 -26.344 -6.606 1.434 168 HB ILE 22 HB ILE 22 -25.670 -3.777 2.190 169 1HG1 ILE 22 1HG1 ILE 22 -27.416 -5.104 0.118 170 2HG1 ILE 22 2HG1 ILE 22 -27.873 -3.961 1.365 171 1HG2 ILE 22 1HG2 ILE 22 -24.686 -5.232 -0.280 172 2HG2 ILE 22 2HG2 ILE 22 -24.442 -3.515 0.122 173 3HG2 ILE 22 3HG2 ILE 22 -23.681 -4.780 1.118 174 1HD1 ILE 22 1HD1 ILE 22 -26.385 -3.447 -1.221 175 2HD1 ILE 22 2HD1 ILE 22 -27.806 -2.605 -0.558 176 3HD1 ILE 22 3HD1 ILE 22 -26.197 -2.327 0.149 177 H GLU 23 H GLU 23 -24.327 -4.842 3.897 178 HA GLU 23 HA GLU 23 -21.973 -6.018 3.292 179 1HB GLU 23 1HB GLU 23 -22.320 -4.147 4.917 180 2HB GLU 23 2HB GLU 23 -22.974 -5.284 6.079 181 1HG GLU 23 1HG GLU 23 -20.812 -5.430 6.818 182 2HG GLU 23 2HG GLU 23 -20.608 -6.537 5.474 183 H TYR 24 H TYR 24 -24.789 -7.440 4.844 184 HA TYR 24 HA TYR 24 -23.628 -9.486 6.297 185 1HB TYR 24 1HB TYR 24 -26.128 -8.569 5.752 186 2HB TYR 24 2HB TYR 24 -26.097 -9.828 4.534 187 HD1 TYR 24 1HD TYR 24 -26.115 -12.194 5.163 188 HD2 TYR 24 2HD TYR 24 -26.169 -9.122 8.140 189 HE1 TYR 24 1HE TYR 24 -26.808 -13.898 6.918 190 HE2 TYR 24 2HE TYR 24 -26.862 -10.837 9.885 191 HH TYR 24 HH TYR 24 -26.969 -14.262 9.104 192 H ASN 25 H ASN 25 -24.228 -9.168 2.777 193 HA ASN 25 HA ASN 25 -22.905 -11.751 2.490 194 1HB ASN 25 1HB ASN 25 -25.186 -10.472 0.940 195 2HB ASN 25 2HB ASN 25 -24.147 -11.630 0.133 196 1HD2 ASN 25 1HD2 ASN 25 -23.617 -13.587 1.689 197 2HD2 ASN 25 2HD2 ASN 25 -25.003 -14.373 2.367 198 H LEU 26 H LEU 26 -20.993 -10.053 2.668 199 HA LEU 26 HA LEU 26 -20.466 -9.032 -0.034 200 1HB LEU 26 1HB LEU 26 -21.029 -7.351 1.892 201 2HB LEU 26 2HB LEU 26 -19.387 -7.677 2.409 202 HG LEU 26 HG LEU 26 -20.092 -6.727 -0.378 203 1HD1 LEU 26 1HD1 LEU 26 -18.920 -4.902 1.688 204 2HD1 LEU 26 2HD1 LEU 26 -19.866 -4.523 0.229 205 3HD1 LEU 26 3HD1 LEU 26 -20.677 -5.187 1.667 206 1HD2 LEU 26 1HD2 LEU 26 -17.456 -6.038 0.568 207 2HD2 LEU 26 2HD2 LEU 26 -17.723 -7.793 0.698 208 3HD2 LEU 26 3HD2 LEU 26 -17.942 -6.972 -0.867 209 H LYS 27 H LYS 27 -18.775 -9.641 3.131 210 HA LYS 27 HA LYS 27 -16.937 -11.367 1.649 211 1HB LYS 27 1HB LYS 27 -15.926 -9.109 1.804 212 2HB LYS 27 2HB LYS 27 -16.066 -9.169 3.550 213 1HG LYS 27 1HG LYS 27 -14.654 -11.268 3.552 214 2HG LYS 27 2HG LYS 27 -14.456 -11.105 1.818 215 1HD LYS 27 1HD LYS 27 -13.099 -9.194 2.005 216 2HD LYS 27 2HD LYS 27 -13.781 -8.726 3.550 217 1HE LYS 27 1HE LYS 27 -12.615 -11.258 4.040 218 2HE LYS 27 2HE LYS 27 -11.469 -10.450 2.989 219 1HZ LYS 27 1HZ LYS 27 -12.582 -9.300 5.455 220 2HZ LYS 27 2HZ LYS 27 -11.090 -9.946 5.304 221 3HZ LYS 27 3HZ LYS 27 -11.476 -8.586 4.488 222 H ARG 28 H ARG 28 -18.606 -12.868 2.699 223 HA ARG 28 HA ARG 28 -17.690 -13.373 5.415 224 1HB ARG 28 1HB ARG 28 -20.310 -12.703 4.640 225 2HB ARG 28 2HB ARG 28 -20.372 -14.449 4.779 226 1HG ARG 28 1HG ARG 28 -19.519 -14.359 7.080 227 2HG ARG 28 2HG ARG 28 -19.229 -12.635 6.952 228 1HD ARG 28 1HD ARG 28 -21.494 -12.090 7.129 229 2HD ARG 28 2HD ARG 28 -22.027 -13.582 6.380 230 HE ARG 28 HE ARG 28 -21.470 -13.157 9.226 231 1HH1 ARG 28 1HH1 ARG 28 -22.191 -16.471 10.048 232 2HH1 ARG 28 2HH1 ARG 28 -21.918 -14.875 10.664 233 1HH2 ARG 28 1HH2 ARG 28 -22.102 -16.863 7.762 234 2HH2 ARG 28 2HH2 ARG 28 -21.762 -15.560 6.672 235 H THR 29 H THR 29 -18.229 -15.811 6.042 236 HA THR 29 HA THR 29 -17.830 -17.968 5.679 237 HB THR 29 HB THR 29 -19.047 -17.242 2.964 238 HG1 THR 29 1HG THR 29 -20.694 -17.119 4.456 239 1HG2 THR 29 1HG2 THR 29 -18.457 -19.931 4.292 240 2HG2 THR 29 2HG2 THR 29 -19.730 -19.735 3.064 241 3HG2 THR 29 3HG2 THR 29 -18.030 -19.419 2.642 242 HA PRO 30 HA PRO 30 -13.901 -17.061 3.665 243 1HB PRO 30 1HB PRO 30 -12.284 -17.388 5.844 244 2HB PRO 30 2HB PRO 30 -12.885 -15.827 5.322 245 1HG PRO 30 1HG PRO 30 -13.759 -17.478 7.613 246 2HG PRO 30 2HG PRO 30 -14.031 -15.771 7.322 247 1HD PRO 30 1HD PRO 30 -15.930 -17.894 6.982 248 2HD PRO 30 2HD PRO 30 -16.164 -16.204 6.582 249 H ARG 31 H ARG 31 -14.965 -19.137 2.779 250 HA ARG 31 HA ARG 31 -13.502 -21.365 3.922 251 1HB ARG 31 1HB ARG 31 -15.128 -22.812 2.822 252 2HB ARG 31 2HB ARG 31 -16.017 -21.540 3.637 253 1HG ARG 31 1HG ARG 31 -15.869 -20.265 1.341 254 2HG ARG 31 2HG ARG 31 -15.447 -21.826 0.666 255 1HD ARG 31 1HD ARG 31 -17.560 -22.746 1.088 256 2HD ARG 31 2HD ARG 31 -17.859 -21.711 2.470 257 HE ARG 31 HE ARG 31 -18.860 -20.177 1.030 258 1HH1 ARG 31 1HH1 ARG 31 -18.669 -19.775 -2.431 259 2HH1 ARG 31 2HH1 ARG 31 -19.429 -19.233 -0.972 260 1HH2 ARG 31 1HH2 ARG 31 -17.073 -21.459 -2.353 261 2HH2 ARG 31 2HH2 ARG 31 -16.643 -22.174 -0.835 262 H ARG 32 H ARG 32 -11.791 -22.271 2.791 263 HA ARG 32 HA ARG 32 -11.207 -21.094 0.244 264 1HB ARG 32 1HB ARG 32 -9.666 -22.054 2.420 265 2HB ARG 32 2HB ARG 32 -9.361 -23.207 1.136 266 1HG ARG 32 1HG ARG 32 -9.000 -21.097 -0.387 267 2HG ARG 32 2HG ARG 32 -8.872 -20.208 1.117 268 1HD ARG 32 1HD ARG 32 -7.244 -22.587 1.351 269 2HD ARG 32 2HD ARG 32 -6.858 -21.817 -0.175 270 HE ARG 32 HE ARG 32 -6.235 -20.801 2.471 271 1HH1 ARG 32 1HH1 ARG 32 -5.172 -17.682 1.324 272 2HH1 ARG 32 2HH1 ARG 32 -5.183 -18.782 2.661 273 1HH2 ARG 32 1HH2 ARG 32 -6.226 -18.258 -0.662 274 2HH2 ARG 32 2HH2 ARG 32 -7.024 -19.789 -0.806 Start of MODEL 9 1 H THR 1 H THR 1 -29.226 28.278 6.397 2 HA THR 1 HA THR 1 -27.956 26.562 4.366 3 HB THR 1 HB THR 1 -26.786 27.670 6.973 4 HG1 THR 1 1HG THR 1 -26.807 29.286 5.354 5 1HG2 THR 1 1HG2 THR 1 -24.636 26.803 6.017 6 2HG2 THR 1 2HG2 THR 1 -25.777 25.476 6.343 7 3HG2 THR 1 3HG2 THR 1 -25.545 26.061 4.678 8 H SER 2 H SER 2 -30.438 26.537 6.381 9 HA SER 2 HA SER 2 -29.685 23.987 7.570 10 1HB SER 2 1HB SER 2 -31.377 26.257 8.461 11 2HB SER 2 2HB SER 2 -32.105 24.686 8.729 12 HG SER 2 HG SER 2 -29.716 24.233 9.583 13 H SER 3 H SER 3 -31.326 25.409 4.965 14 HA SER 3 HA SER 3 -33.426 23.433 4.929 15 1HB SER 3 1HB SER 3 -33.586 25.979 4.238 16 2HB SER 3 2HB SER 3 -32.894 25.437 2.721 17 HG SER 3 HG SER 3 -35.233 25.431 2.674 18 H ILE 4 H ILE 4 -30.877 22.262 4.828 19 HA ILE 4 HA ILE 4 -30.972 21.092 2.181 20 HB ILE 4 HB ILE 4 -28.651 22.663 3.241 21 1HG1 ILE 4 1HG1 ILE 4 -30.152 23.783 1.691 22 2HG1 ILE 4 2HG1 ILE 4 -28.586 23.520 0.949 23 1HG2 ILE 4 1HG2 ILE 4 -27.529 20.654 2.893 24 2HG2 ILE 4 2HG2 ILE 4 -28.545 20.209 1.501 25 3HG2 ILE 4 3HG2 ILE 4 -27.338 21.508 1.342 26 1HD1 ILE 4 1HD1 ILE 4 -29.997 22.800 -0.765 27 2HD1 ILE 4 2HD1 ILE 4 -29.712 21.261 0.083 28 3HD1 ILE 4 3HD1 ILE 4 -31.218 22.167 0.366 29 H VAL 5 H VAL 5 -28.980 21.203 5.224 30 HA VAL 5 HA VAL 5 -28.137 18.644 5.282 31 HB VAL 5 HB VAL 5 -29.083 20.452 7.504 32 1HG1 VAL 5 1HG1 VAL 5 -27.981 19.024 9.106 33 2HG1 VAL 5 2HG1 VAL 5 -29.168 18.052 8.204 34 3HG1 VAL 5 3HG1 VAL 5 -27.435 17.923 7.819 35 1HG2 VAL 5 1HG2 VAL 5 -26.846 20.540 5.823 36 2HG2 VAL 5 2HG2 VAL 5 -27.085 21.438 7.342 37 3HG2 VAL 5 3HG2 VAL 5 -26.238 19.873 7.358 38 H HIS 6 H HIS 6 -31.247 19.809 6.771 39 HA HIS 6 HA HIS 6 -32.232 17.453 7.603 40 1HB HIS 6 1HB HIS 6 -33.215 19.813 7.739 41 2HB HIS 6 2HB HIS 6 -33.940 19.497 6.175 42 HD1 HIS 6 1HD HIS 6 -33.795 17.641 9.544 43 HD2 HIS 6 2HD HIS 6 -36.474 18.549 6.447 44 HE1 HIS 6 1HE HIS 6 -36.041 16.640 10.225 45 HE2 HIS 6 2HE HIS 6 -37.659 17.277 8.309 46 H LEU 7 H LEU 7 -32.677 18.833 4.269 47 HA LEU 7 HA LEU 7 -34.083 16.732 3.206 48 1HB LEU 7 1HB LEU 7 -33.769 18.887 2.129 49 2HB LEU 7 2HB LEU 7 -32.063 18.558 1.898 50 HG LEU 7 HG LEU 7 -33.957 16.581 0.733 51 1HD1 LEU 7 1HD1 LEU 7 -34.703 17.867 -1.054 52 2HD1 LEU 7 2HD1 LEU 7 -34.895 18.958 0.339 53 3HD1 LEU 7 3HD1 LEU 7 -33.509 19.155 -0.761 54 1HD2 LEU 7 1HD2 LEU 7 -31.363 16.646 0.616 55 2HD2 LEU 7 2HD2 LEU 7 -32.297 16.248 -0.846 56 3HD2 LEU 7 3HD2 LEU 7 -31.621 17.882 -0.639 57 H CYS 8 H CYS 8 -30.484 17.240 3.023 58 HA CYS 8 HA CYS 8 -29.896 14.839 1.854 59 1HB CYS 8 1HB CYS 8 -28.383 16.879 2.402 60 2HB CYS 8 2HB CYS 8 -28.086 16.074 3.930 61 HG CYS 8 HG CYS 8 -26.127 15.607 2.211 62 H ALA 9 H ALA 9 -30.828 15.659 5.180 63 HA ALA 9 HA ALA 9 -29.852 13.410 6.495 64 1HB ALA 9 1HB ALA 9 -31.207 15.705 7.162 65 2HB ALA 9 2HB ALA 9 -32.468 14.469 7.391 66 3HB ALA 9 3HB ALA 9 -30.924 14.339 8.268 67 H ILE 10 H ILE 10 -32.773 13.965 4.497 68 HA ILE 10 HA ILE 10 -33.856 11.390 5.172 69 HB ILE 10 HB ILE 10 -34.665 13.490 3.159 70 1HG1 ILE 10 1HG1 ILE 10 -36.191 12.817 5.652 71 2HG1 ILE 10 2HG1 ILE 10 -34.771 13.836 5.778 72 1HG2 ILE 10 1HG2 ILE 10 -35.305 10.926 2.842 73 2HG2 ILE 10 2HG2 ILE 10 -36.544 11.353 4.047 74 3HG2 ILE 10 3HG2 ILE 10 -36.454 12.244 2.509 75 1HD1 ILE 10 1HD1 ILE 10 -35.745 15.310 3.950 76 2HD1 ILE 10 2HD1 ILE 10 -37.231 14.336 4.045 77 3HD1 ILE 10 3HD1 ILE 10 -36.695 15.281 5.454 78 H SER 11 H SER 11 -32.431 12.962 2.225 79 HA SER 11 HA SER 11 -32.430 10.528 0.817 80 1HB SER 11 1HB SER 11 -32.417 12.948 -0.108 81 2HB SER 11 2HB SER 11 -30.694 12.952 0.212 82 HG SER 11 HG SER 11 -32.056 10.999 -1.441 83 H LEU 12 H LEU 12 -31.363 9.416 2.850 84 HA LEU 12 HA LEU 12 -28.767 8.694 2.145 85 1HB LEU 12 1HB LEU 12 -27.922 10.737 2.882 86 2HB LEU 12 2HB LEU 12 -28.995 10.803 4.266 87 HG LEU 12 HG LEU 12 -27.652 8.649 5.018 88 1HD1 LEU 12 1HD1 LEU 12 -25.533 8.343 4.203 89 2HD1 LEU 12 2HD1 LEU 12 -26.378 8.855 2.722 90 3HD1 LEU 12 3HD1 LEU 12 -25.385 10.022 3.629 91 1HD2 LEU 12 1HD2 LEU 12 -27.773 11.169 5.891 92 2HD2 LEU 12 2HD2 LEU 12 -26.644 9.970 6.566 93 3HD2 LEU 12 3HD2 LEU 12 -26.074 11.150 5.362 94 H ASP 13 H ASP 13 -30.463 9.279 5.309 95 HA ASP 13 HA ASP 13 -29.822 6.932 6.450 96 1HB ASP 13 1HB ASP 13 -31.414 9.059 7.111 97 2HB ASP 13 2HB ASP 13 -32.651 7.847 6.844 98 H ARG 14 H ARG 14 -32.754 7.725 4.441 99 HA ARG 14 HA ARG 14 -34.162 5.510 4.567 100 1HB ARG 14 1HB ARG 14 -34.262 7.645 2.947 101 2HB ARG 14 2HB ARG 14 -33.547 6.544 1.786 102 1HG ARG 14 1HG ARG 14 -35.576 4.978 2.847 103 2HG ARG 14 2HG ARG 14 -36.297 6.573 2.919 104 1HD ARG 14 1HD ARG 14 -34.881 5.878 0.364 105 2HD ARG 14 2HD ARG 14 -36.366 5.005 0.685 106 HE ARG 14 HE ARG 14 -36.108 7.884 0.131 107 1HH1 ARG 14 1HH1 ARG 14 -39.561 8.366 0.269 108 2HH1 ARG 14 2HH1 ARG 14 -38.040 9.066 -0.171 109 1HH2 ARG 14 1HH2 ARG 14 -39.637 6.226 1.166 110 2HH2 ARG 14 2HH2 ARG 14 -38.173 5.330 1.395 111 H TYR 15 H TYR 15 -31.114 5.943 2.686 112 HA TYR 15 HA TYR 15 -31.231 3.149 1.850 113 1HB TYR 15 1HB TYR 15 -29.173 5.377 1.324 114 2HB TYR 15 2HB TYR 15 -29.378 3.919 0.373 115 HD1 TYR 15 1HD TYR 15 -30.488 7.331 0.903 116 HD2 TYR 15 2HD TYR 15 -31.431 3.650 -1.064 117 HE1 TYR 15 1HE TYR 15 -32.074 8.562 -0.657 118 HE2 TYR 15 2HE TYR 15 -33.013 4.894 -2.617 119 HH TYR 15 HH TYR 15 -34.262 6.880 -2.698 120 H TRP 16 H TRP 16 -30.980 3.240 4.580 121 HA TRP 16 HA TRP 16 -28.103 2.772 4.982 122 1HB TRP 16 1HB TRP 16 -28.816 4.670 6.269 123 2HB TRP 16 2HB TRP 16 -30.194 3.795 6.906 124 HD1 TRP 16 HD TRP 16 -29.721 3.174 9.390 125 HE1 TRP 16 1HE TRP 16 -27.706 2.359 10.886 126 HE3 TRP 16 3HE TRP 16 -26.258 3.210 5.667 127 HZ2 TRP 16 2HZ TRP 16 -24.951 1.833 10.357 128 HZ3 TRP 16 3HZ TRP 16 -23.929 2.532 6.241 129 HH2 TRP 16 HH TRP 16 -23.254 1.860 8.492 130 H SER 17 H SER 17 -31.464 1.852 6.026 131 HA SER 17 HA SER 17 -30.657 -0.533 7.201 132 1HB SER 17 1HB SER 17 -32.815 0.577 7.685 133 2HB SER 17 2HB SER 17 -33.360 0.284 6.045 134 HG SER 17 HG SER 17 -34.048 -1.624 6.698 135 H ILE 18 H ILE 18 -32.196 0.173 3.979 136 HA ILE 18 HA ILE 18 -32.348 -2.353 2.994 137 HB ILE 18 HB ILE 18 -31.671 0.233 1.594 138 1HG1 ILE 18 1HG1 ILE 18 -34.339 -1.162 1.605 139 2HG1 ILE 18 2HG1 ILE 18 -33.874 -0.138 2.948 140 1HG2 ILE 18 1HG2 ILE 18 -31.036 -1.906 0.343 141 2HG2 ILE 18 2HG2 ILE 18 -32.784 -2.230 0.254 142 3HG2 ILE 18 3HG2 ILE 18 -32.113 -0.756 -0.485 143 1HD1 ILE 18 1HD1 ILE 18 -33.245 1.612 1.066 144 2HD1 ILE 18 2HD1 ILE 18 -34.320 0.618 0.054 145 3HD1 ILE 18 3HD1 ILE 18 -34.950 1.392 1.528 146 H THR 19 H THR 19 -29.491 -0.121 2.797 147 HA THR 19 HA THR 19 -27.827 -1.974 1.510 148 HB THR 19 HB THR 19 -26.047 -0.349 2.546 149 HG1 THR 19 1HG THR 19 -27.683 0.174 4.295 150 1HG2 THR 19 1HG2 THR 19 -27.300 1.706 1.328 151 2HG2 THR 19 2HG2 THR 19 -26.590 0.377 0.382 152 3HG2 THR 19 3HG2 THR 19 -28.337 0.394 0.720 153 H GLN 20 H GLN 20 -28.600 -1.430 4.960 154 HA GLN 20 HA GLN 20 -26.628 -2.657 6.216 155 1HB GLN 20 1HB GLN 20 -28.984 -1.800 7.037 156 2HB GLN 20 2HB GLN 20 -29.465 -3.479 6.887 157 1HG GLN 20 1HG GLN 20 -26.871 -3.083 8.292 158 2HG GLN 20 2HG GLN 20 -28.244 -2.372 9.116 159 1HE2 GLN 20 1HE2 GLN 20 -28.727 -3.691 10.710 160 2HE2 GLN 20 2HE2 GLN 20 -29.025 -5.394 10.596 161 H ALA 21 H ALA 21 -29.454 -4.425 4.754 162 HA ALA 21 HA ALA 21 -28.559 -6.978 5.324 163 1HB ALA 21 1HB ALA 21 -30.438 -5.695 3.378 164 2HB ALA 21 2HB ALA 21 -29.964 -7.382 3.070 165 3HB ALA 21 3HB ALA 21 -30.745 -6.944 4.608 166 H ILE 22 H ILE 22 -27.907 -4.825 2.495 167 HA ILE 22 HA ILE 22 -26.484 -6.691 1.004 168 HB ILE 22 HB ILE 22 -26.242 -3.682 1.119 169 1HG1 ILE 22 1HG1 ILE 22 -28.505 -4.273 0.638 170 2HG1 ILE 22 2HG1 ILE 22 -27.753 -3.773 -0.863 171 1HG2 ILE 22 1HG2 ILE 22 -25.351 -3.894 -1.184 172 2HG2 ILE 22 2HG2 ILE 22 -24.285 -4.605 0.051 173 3HG2 ILE 22 3HG2 ILE 22 -25.290 -5.660 -0.970 174 1HD1 ILE 22 1HD1 ILE 22 -28.487 -6.570 0.042 175 2HD1 ILE 22 2HD1 ILE 22 -28.891 -5.744 -1.482 176 3HD1 ILE 22 3HD1 ILE 22 -27.234 -6.328 -1.199 177 H GLU 23 H GLU 23 -25.337 -4.217 3.398 178 HA GLU 23 HA GLU 23 -22.669 -4.942 3.169 179 1HB GLU 23 1HB GLU 23 -23.377 -2.804 4.140 180 2HB GLU 23 2HB GLU 23 -24.195 -3.623 5.455 181 1HG GLU 23 1HG GLU 23 -21.413 -4.517 5.264 182 2HG GLU 23 2HG GLU 23 -21.488 -2.771 5.391 183 H TYR 24 H TYR 24 -25.393 -6.413 4.830 184 HA TYR 24 HA TYR 24 -24.085 -7.742 6.885 185 1HB TYR 24 1HB TYR 24 -26.631 -7.456 5.935 186 2HB TYR 24 2HB TYR 24 -26.278 -8.997 5.180 187 HD1 TYR 24 1HD TYR 24 -26.113 -7.333 8.539 188 HD2 TYR 24 2HD TYR 24 -26.739 -10.956 6.353 189 HE1 TYR 24 1HE TYR 24 -26.726 -8.535 10.694 190 HE2 TYR 24 2HE TYR 24 -27.350 -12.147 8.514 191 HH TYR 24 HH TYR 24 -26.839 -10.668 11.592 192 H ASN 25 H ASN 25 -24.473 -8.560 3.402 193 HA ASN 25 HA ASN 25 -22.499 -10.645 3.858 194 1HB ASN 25 1HB ASN 25 -25.189 -10.841 2.492 195 2HB ASN 25 2HB ASN 25 -23.866 -11.758 1.797 196 1HD2 ASN 25 1HD2 ASN 25 -22.461 -12.878 3.548 197 2HD2 ASN 25 2HD2 ASN 25 -23.323 -13.802 4.733 198 H LEU 26 H LEU 26 -21.150 -8.696 3.074 199 HA LEU 26 HA LEU 26 -21.364 -8.432 0.155 200 1HB LEU 26 1HB LEU 26 -21.891 -6.382 1.448 201 2HB LEU 26 2HB LEU 26 -20.280 -6.426 2.137 202 HG LEU 26 HG LEU 26 -20.495 -6.431 -0.841 203 1HD1 LEU 26 1HD1 LEU 26 -20.450 -3.709 0.127 204 2HD1 LEU 26 2HD1 LEU 26 -21.507 -4.471 -1.085 205 3HD1 LEU 26 3HD1 LEU 26 -21.939 -4.537 0.640 206 1HD2 LEU 26 1HD2 LEU 26 -18.344 -6.535 0.540 207 2HD2 LEU 26 2HD2 LEU 26 -18.424 -5.332 -0.769 208 3HD2 LEU 26 3HD2 LEU 26 -18.648 -4.824 0.923 209 H LYS 27 H LYS 27 -19.015 -8.270 2.926 210 HA LYS 27 HA LYS 27 -16.960 -9.231 1.096 211 1HB LYS 27 1HB LYS 27 -17.025 -7.436 3.344 212 2HB LYS 27 2HB LYS 27 -15.919 -8.748 3.695 213 1HG LYS 27 1HG LYS 27 -14.644 -8.342 1.669 214 2HG LYS 27 2HG LYS 27 -15.865 -7.254 1.039 215 1HD LYS 27 1HD LYS 27 -14.364 -5.691 1.880 216 2HD LYS 27 2HD LYS 27 -15.380 -5.898 3.292 217 1HE LYS 27 1HE LYS 27 -13.391 -6.312 4.361 218 2HE LYS 27 2HE LYS 27 -13.595 -7.929 3.720 219 1HZ LYS 27 1HZ LYS 27 -12.142 -5.777 2.345 220 2HZ LYS 27 2HZ LYS 27 -11.438 -6.971 3.209 221 3HZ LYS 27 3HZ LYS 27 -12.264 -7.327 1.846 222 H ARG 28 H ARG 28 -18.364 -11.312 1.059 223 HA ARG 28 HA ARG 28 -17.273 -12.999 3.149 224 1HB ARG 28 1HB ARG 28 -19.909 -12.315 3.216 225 2HB ARG 28 2HB ARG 28 -20.018 -13.671 2.111 226 1HG ARG 28 1HG ARG 28 -18.278 -14.427 4.296 227 2HG ARG 28 2HG ARG 28 -19.736 -13.731 4.976 228 1HD ARG 28 1HD ARG 28 -20.745 -15.352 2.934 229 2HD ARG 28 2HD ARG 28 -19.378 -16.284 3.512 230 HE ARG 28 HE ARG 28 -21.040 -15.224 5.679 231 1HH1 ARG 28 1HH1 ARG 28 -22.411 -18.349 6.406 232 2HH1 ARG 28 2HH1 ARG 28 -22.207 -16.719 6.954 233 1HH2 ARG 28 1HH2 ARG 28 -21.500 -19.016 4.378 234 2HH2 ARG 28 2HH2 ARG 28 -20.615 -17.882 3.412 235 H THR 29 H THR 29 -17.369 -15.408 2.466 236 HA THR 29 HA THR 29 -16.446 -15.595 -0.244 237 HB THR 29 HB THR 29 -16.069 -17.992 0.478 238 HG1 THR 29 1HG THR 29 -18.079 -17.733 1.930 239 1HG2 THR 29 1HG2 THR 29 -15.279 -15.881 2.556 240 2HG2 THR 29 2HG2 THR 29 -14.585 -17.518 2.455 241 3HG2 THR 29 3HG2 THR 29 -14.317 -16.354 1.135 242 HA PRO 30 HA PRO 30 -20.043 -16.941 -2.151 243 1HB PRO 30 1HB PRO 30 -19.094 -18.575 -4.125 244 2HB PRO 30 2HB PRO 30 -19.079 -16.826 -4.239 245 1HG PRO 30 1HG PRO 30 -16.827 -18.668 -3.716 246 2HG PRO 30 2HG PRO 30 -16.779 -17.000 -4.249 247 1HD PRO 30 1HD PRO 30 -16.242 -17.973 -1.605 248 2HD PRO 30 2HD PRO 30 -16.308 -16.297 -2.111 249 H ARG 31 H ARG 31 -21.205 -19.019 -3.150 250 HA ARG 31 HA ARG 31 -20.741 -21.055 -1.121 251 1HB ARG 31 1HB ARG 31 -23.173 -19.545 -1.767 252 2HB ARG 31 2HB ARG 31 -23.451 -21.264 -1.960 253 1HG ARG 31 1HG ARG 31 -22.788 -21.731 0.319 254 2HG ARG 31 2HG ARG 31 -22.109 -20.129 0.528 255 1HD ARG 31 1HD ARG 31 -24.128 -19.255 1.121 256 2HD ARG 31 2HD ARG 31 -24.918 -19.943 -0.284 257 HE ARG 31 HE ARG 31 -25.622 -21.767 1.017 258 1HH1 ARG 31 1HH1 ARG 31 -24.940 -22.544 4.350 259 2HH1 ARG 31 2HH1 ARG 31 -25.910 -22.924 2.967 260 1HH2 ARG 31 1HH2 ARG 31 -23.347 -20.860 4.224 261 2HH2 ARG 31 2HH2 ARG 31 -23.129 -19.984 2.746 262 H ARG 32 H ARG 32 -21.851 -23.255 -1.862 263 HA ARG 32 HA ARG 32 -21.698 -23.471 -4.747 264 1HB ARG 32 1HB ARG 32 -19.507 -24.191 -3.522 265 2HB ARG 32 2HB ARG 32 -20.428 -25.552 -2.914 266 1HG ARG 32 1HG ARG 32 -19.859 -26.618 -4.843 267 2HG ARG 32 2HG ARG 32 -21.050 -25.601 -5.629 268 1HD ARG 32 1HD ARG 32 -18.528 -24.146 -5.273 269 2HD ARG 32 2HD ARG 32 -18.257 -25.650 -6.129 270 HE ARG 32 HE ARG 32 -20.566 -24.119 -7.112 271 1HH1 ARG 32 1HH1 ARG 32 -18.935 -23.270 -10.078 272 2HH1 ARG 32 2HH1 ARG 32 -20.452 -23.301 -9.242 273 1HH2 ARG 32 1HH2 ARG 32 -17.019 -24.061 -9.033 274 2HH2 ARG 32 2HH2 ARG 32 -17.106 -24.681 -7.418 Start of MODEL 10 1 H THR 1 H THR 1 -29.909 27.088 6.054 2 HA THR 1 HA THR 1 -27.496 25.476 5.570 3 HB THR 1 HB THR 1 -28.404 27.335 7.819 4 HG1 THR 1 1HG THR 1 -26.700 28.515 6.908 5 1HG2 THR 1 1HG2 THR 1 -27.258 25.671 9.081 6 2HG2 THR 1 2HG2 THR 1 -26.183 25.257 7.724 7 3HG2 THR 1 3HG2 THR 1 -25.946 26.780 8.614 8 H SER 2 H SER 2 -30.300 25.745 7.860 9 HA SER 2 HA SER 2 -29.886 22.964 8.488 10 1HB SER 2 1HB SER 2 -31.673 25.144 9.625 11 2HB SER 2 2HB SER 2 -31.868 23.467 10.097 12 HG SER 2 HG SER 2 -29.300 23.796 10.390 13 H SER 3 H SER 3 -31.046 24.248 5.849 14 HA SER 3 HA SER 3 -33.604 22.866 5.905 15 1HB SER 3 1HB SER 3 -33.543 25.284 5.185 16 2HB SER 3 2HB SER 3 -32.521 24.829 3.836 17 HG SER 3 HG SER 3 -34.504 23.165 3.563 18 H ILE 4 H ILE 4 -30.337 22.883 4.573 19 HA ILE 4 HA ILE 4 -30.999 21.045 2.453 20 HB ILE 4 HB ILE 4 -28.430 22.271 3.443 21 1HG1 ILE 4 1HG1 ILE 4 -29.092 22.799 0.697 22 2HG1 ILE 4 2HG1 ILE 4 -30.486 23.167 1.694 23 1HG2 ILE 4 1HG2 ILE 4 -27.418 21.275 1.365 24 2HG2 ILE 4 2HG2 ILE 4 -27.796 20.115 2.662 25 3HG2 ILE 4 3HG2 ILE 4 -28.861 20.241 1.242 26 1HD1 ILE 4 1HD1 ILE 4 -27.801 24.467 1.628 27 2HD1 ILE 4 2HD1 ILE 4 -29.397 25.168 1.989 28 3HD1 ILE 4 3HD1 ILE 4 -28.518 24.263 3.244 29 H VAL 5 H VAL 5 -28.878 20.963 5.408 30 HA VAL 5 HA VAL 5 -28.172 18.379 5.415 31 HB VAL 5 HB VAL 5 -29.064 20.129 7.708 32 1HG1 VAL 5 1HG1 VAL 5 -29.163 18.070 8.749 33 2HG1 VAL 5 2HG1 VAL 5 -27.922 17.352 7.695 34 3HG1 VAL 5 3HG1 VAL 5 -27.448 18.485 8.984 35 1HG2 VAL 5 1HG2 VAL 5 -27.074 21.125 7.526 36 2HG2 VAL 5 2HG2 VAL 5 -26.230 19.558 7.532 37 3HG2 VAL 5 3HG2 VAL 5 -26.829 20.240 6.001 38 H HIS 6 H HIS 6 -31.263 19.647 6.850 39 HA HIS 6 HA HIS 6 -32.326 17.280 7.631 40 1HB HIS 6 1HB HIS 6 -33.193 19.694 7.867 41 2HB HIS 6 2HB HIS 6 -33.979 19.441 6.322 42 HD1 HIS 6 1HD HIS 6 -33.809 17.580 9.684 43 HD2 HIS 6 2HD HIS 6 -36.516 18.498 6.614 44 HE1 HIS 6 1HE HIS 6 -36.060 16.621 10.406 45 HE2 HIS 6 2HE HIS 6 -37.695 17.264 8.506 46 H LEU 7 H LEU 7 -32.743 18.850 4.378 47 HA LEU 7 HA LEU 7 -34.214 16.790 3.255 48 1HB LEU 7 1HB LEU 7 -33.121 19.253 2.477 49 2HB LEU 7 2HB LEU 7 -32.466 18.082 1.349 50 HG LEU 7 HG LEU 7 -34.505 19.091 0.487 51 1HD1 LEU 7 1HD1 LEU 7 -33.997 16.810 -0.187 52 2HD1 LEU 7 2HD1 LEU 7 -34.879 16.174 1.223 53 3HD1 LEU 7 3HD1 LEU 7 -35.757 17.046 -0.057 54 1HD2 LEU 7 1HD2 LEU 7 -36.539 19.179 1.548 55 2HD2 LEU 7 2HD2 LEU 7 -36.192 17.772 2.581 56 3HD2 LEU 7 3HD2 LEU 7 -35.434 19.343 2.934 57 H CYS 8 H CYS 8 -30.671 17.453 2.749 58 HA CYS 8 HA CYS 8 -30.036 15.202 1.427 59 1HB CYS 8 1HB CYS 8 -28.520 16.937 3.340 60 2HB CYS 8 2HB CYS 8 -27.783 15.430 2.834 61 HG CYS 8 HG CYS 8 -26.899 17.429 1.358 62 H ALA 9 H ALA 9 -30.967 15.594 4.820 63 HA ALA 9 HA ALA 9 -30.058 12.938 5.525 64 1HB ALA 9 1HB ALA 9 -29.797 14.695 7.169 65 2HB ALA 9 2HB ALA 9 -31.513 15.147 7.030 66 3HB ALA 9 3HB ALA 9 -31.059 13.582 7.748 67 H ILE 10 H ILE 10 -31.614 12.453 3.442 68 HA ILE 10 HA ILE 10 -33.996 11.339 4.676 69 HB ILE 10 HB ILE 10 -34.035 13.221 2.321 70 1HG1 ILE 10 1HG1 ILE 10 -34.125 14.203 4.615 71 2HG1 ILE 10 2HG1 ILE 10 -35.531 14.543 3.626 72 1HG2 ILE 10 1HG2 ILE 10 -36.070 11.181 3.215 73 2HG2 ILE 10 2HG2 ILE 10 -36.527 12.640 2.304 74 3HG2 ILE 10 3HG2 ILE 10 -35.401 11.461 1.589 75 1HD1 ILE 10 1HD1 ILE 10 -35.282 12.645 5.971 76 2HD1 ILE 10 2HD1 ILE 10 -36.502 13.907 5.673 77 3HD1 ILE 10 3HD1 ILE 10 -36.551 12.386 4.750 78 H SER 11 H SER 11 -32.044 11.747 1.647 79 HA SER 11 HA SER 11 -32.876 9.257 0.646 80 1HB SER 11 1HB SER 11 -31.777 11.422 -0.501 81 2HB SER 11 2HB SER 11 -30.291 10.533 -0.231 82 HG SER 11 HG SER 11 -32.167 10.160 -2.175 83 H LEU 12 H LEU 12 -29.982 10.470 2.429 84 HA LEU 12 HA LEU 12 -28.442 8.171 2.244 85 1HB LEU 12 1HB LEU 12 -27.417 10.151 2.944 86 2HB LEU 12 2HB LEU 12 -28.601 10.440 4.204 87 HG LEU 12 HG LEU 12 -27.655 8.247 5.264 88 1HD1 LEU 12 1HD1 LEU 12 -25.890 7.268 4.345 89 2HD1 LEU 12 2HD1 LEU 12 -26.050 8.371 2.956 90 3HD1 LEU 12 3HD1 LEU 12 -24.990 8.804 4.319 91 1HD2 LEU 12 1HD2 LEU 12 -25.631 9.760 6.121 92 2HD2 LEU 12 2HD2 LEU 12 -26.582 11.024 5.305 93 3HD2 LEU 12 3HD2 LEU 12 -27.320 10.052 6.601 94 H ASP 13 H ASP 13 -30.562 9.223 5.009 95 HA ASP 13 HA ASP 13 -30.337 7.033 6.522 96 1HB ASP 13 1HB ASP 13 -32.337 9.142 6.107 97 2HB ASP 13 2HB ASP 13 -33.104 7.648 6.609 98 H ARG 14 H ARG 14 -32.682 7.606 3.799 99 HA ARG 14 HA ARG 14 -34.160 5.398 3.922 100 1HB ARG 14 1HB ARG 14 -33.324 7.271 1.831 101 2HB ARG 14 2HB ARG 14 -33.545 5.672 1.150 102 1HG ARG 14 1HG ARG 14 -35.815 5.588 2.351 103 2HG ARG 14 2HG ARG 14 -35.589 7.280 2.745 104 1HD ARG 14 1HD ARG 14 -35.180 7.605 0.166 105 2HD ARG 14 2HD ARG 14 -35.910 6.021 -0.004 106 HE ARG 14 HE ARG 14 -37.277 8.502 0.736 107 1HH1 ARG 14 1HH1 ARG 14 -40.355 6.910 1.143 108 2HH1 ARG 14 2HH1 ARG 14 -39.546 8.434 0.993 109 1HH2 ARG 14 1HH2 ARG 14 -39.134 4.937 1.083 110 2HH2 ARG 14 2HH2 ARG 14 -37.414 4.989 0.888 111 H TYR 15 H TYR 15 -30.887 5.712 2.396 112 HA TYR 15 HA TYR 15 -30.819 2.948 1.647 113 1HB TYR 15 1HB TYR 15 -28.676 5.146 1.940 114 2HB TYR 15 2HB TYR 15 -28.456 3.661 1.037 115 HD1 TYR 15 1HD TYR 15 -30.744 3.342 -0.633 116 HD2 TYR 15 2HD TYR 15 -28.810 6.977 0.531 117 HE1 TYR 15 1HE TYR 15 -31.626 4.489 -2.723 118 HE2 TYR 15 2HE TYR 15 -29.698 8.111 -1.564 119 HH TYR 15 HH TYR 15 -30.439 7.031 -4.018 120 H TRP 16 H TRP 16 -29.708 4.959 4.385 121 HA TRP 16 HA TRP 16 -27.793 3.365 5.485 122 1HB TRP 16 1HB TRP 16 -28.357 5.549 6.342 123 2HB TRP 16 2HB TRP 16 -29.942 4.995 6.847 124 HD1 TRP 16 HD TRP 16 -29.955 4.703 9.434 125 HE1 TRP 16 1HE TRP 16 -28.346 3.857 11.347 126 HE3 TRP 16 3HE TRP 16 -26.016 3.673 6.387 127 HZ2 TRP 16 2HZ TRP 16 -25.667 2.874 11.371 128 HZ3 TRP 16 3HZ TRP 16 -23.941 2.773 7.436 129 HH2 TRP 16 HH TRP 16 -23.728 2.372 9.837 130 H SER 17 H SER 17 -31.374 3.018 5.506 131 HA SER 17 HA SER 17 -31.095 0.621 7.094 132 1HB SER 17 1HB SER 17 -33.134 2.626 6.738 133 2HB SER 17 2HB SER 17 -33.814 1.083 6.260 134 HG SER 17 HG SER 17 -33.958 1.696 8.614 135 H ILE 18 H ILE 18 -29.929 0.580 4.454 136 HA ILE 18 HA ILE 18 -31.526 -1.564 3.323 137 HB ILE 18 HB ILE 18 -30.715 0.909 1.797 138 1HG1 ILE 18 1HG1 ILE 18 -33.412 -0.366 2.340 139 2HG1 ILE 18 2HG1 ILE 18 -32.811 1.130 3.026 140 1HG2 ILE 18 1HG2 ILE 18 -30.263 -1.372 0.667 141 2HG2 ILE 18 2HG2 ILE 18 -32.035 -1.494 0.555 142 3HG2 ILE 18 3HG2 ILE 18 -31.185 -0.138 -0.225 143 1HD1 ILE 18 1HD1 ILE 18 -32.877 2.268 0.928 144 2HD1 ILE 18 2HD1 ILE 18 -32.989 0.744 0.015 145 3HD1 ILE 18 3HD1 ILE 18 -34.379 1.313 0.970 146 H THR 19 H THR 19 -28.577 0.486 2.737 147 HA THR 19 HA THR 19 -27.013 -1.380 1.527 148 HB THR 19 HB THR 19 -26.440 0.895 3.475 149 HG1 THR 19 1HG THR 19 -26.967 1.675 1.440 150 1HG2 THR 19 1HG2 THR 19 -24.087 0.721 2.300 151 2HG2 THR 19 2HG2 THR 19 -24.403 -0.326 3.704 152 3HG2 THR 19 3HG2 THR 19 -24.516 -0.989 2.055 153 H GLN 20 H GLN 20 -27.140 -0.829 5.115 154 HA GLN 20 HA GLN 20 -25.444 -2.704 5.907 155 1HB GLN 20 1HB GLN 20 -28.169 -2.038 7.096 156 2HB GLN 20 2HB GLN 20 -26.972 -3.005 7.934 157 1HG GLN 20 1HG GLN 20 -26.093 -0.348 6.809 158 2HG GLN 20 2HG GLN 20 -27.102 -0.334 8.241 159 1HE2 GLN 20 1HE2 GLN 20 -24.514 0.613 8.229 160 2HE2 GLN 20 2HE2 GLN 20 -23.499 -0.382 9.217 161 H ALA 21 H ALA 21 -28.997 -3.370 5.441 162 HA ALA 21 HA ALA 21 -29.065 -6.011 5.879 163 1HB ALA 21 1HB ALA 21 -31.075 -4.879 5.341 164 2HB ALA 21 2HB ALA 21 -30.432 -4.294 3.789 165 3HB ALA 21 3HB ALA 21 -30.832 -6.016 3.993 166 H ILE 22 H ILE 22 -27.697 -4.343 3.014 167 HA ILE 22 HA ILE 22 -27.203 -6.844 1.678 168 HB ILE 22 HB ILE 22 -26.593 -3.960 1.068 169 1HG1 ILE 22 1HG1 ILE 22 -28.157 -5.629 -0.796 170 2HG1 ILE 22 2HG1 ILE 22 -28.906 -5.406 0.773 171 1HG2 ILE 22 1HG2 ILE 22 -24.944 -4.566 -0.285 172 2HG2 ILE 22 2HG2 ILE 22 -25.207 -6.286 0.087 173 3HG2 ILE 22 3HG2 ILE 22 -26.116 -5.512 -1.233 174 1HD1 ILE 22 1HD1 ILE 22 -27.732 -2.906 -0.261 175 2HD1 ILE 22 2HD1 ILE 22 -28.976 -3.583 -1.339 176 3HD1 ILE 22 3HD1 ILE 22 -29.371 -3.218 0.358 177 H GLU 23 H GLU 23 -25.178 -4.181 3.100 178 HA GLU 23 HA GLU 23 -22.759 -5.271 2.749 179 1HB GLU 23 1HB GLU 23 -23.616 -3.074 3.998 180 2HB GLU 23 2HB GLU 23 -23.378 -4.046 5.437 181 1HG GLU 23 1HG GLU 23 -21.125 -4.194 3.502 182 2HG GLU 23 2HG GLU 23 -21.395 -2.589 4.152 183 H TYR 24 H TYR 24 -25.325 -6.410 4.877 184 HA TYR 24 HA TYR 24 -23.725 -7.906 6.649 185 1HB TYR 24 1HB TYR 24 -26.583 -7.660 5.685 186 2HB TYR 24 2HB TYR 24 -26.192 -9.173 6.477 187 HD1 TYR 24 1HD TYR 24 -27.411 -5.941 7.003 188 HD2 TYR 24 2HD TYR 24 -24.840 -8.854 8.793 189 HE1 TYR 24 1HE TYR 24 -27.737 -4.844 9.273 190 HE2 TYR 24 2HE TYR 24 -25.175 -7.748 11.057 191 HH TYR 24 HH TYR 24 -27.616 -5.661 11.699 192 H ASN 25 H ASN 25 -25.372 -8.681 3.527 193 HA ASN 25 HA ASN 25 -23.700 -11.060 3.454 194 1HB ASN 25 1HB ASN 25 -26.688 -10.812 3.063 195 2HB ASN 25 2HB ASN 25 -25.836 -11.952 2.040 196 1HD2 ASN 25 1HD2 ASN 25 -24.126 -13.279 3.300 197 2HD2 ASN 25 2HD2 ASN 25 -24.670 -14.021 4.767 198 H LEU 26 H LEU 26 -22.385 -9.429 2.120 199 HA LEU 26 HA LEU 26 -23.557 -9.077 -0.551 200 1HB LEU 26 1HB LEU 26 -22.802 -7.098 1.050 201 2HB LEU 26 2HB LEU 26 -21.224 -7.476 0.388 202 HG LEU 26 HG LEU 26 -23.620 -6.915 -1.369 203 1HD1 LEU 26 1HD1 LEU 26 -23.191 -4.643 -1.407 204 2HD1 LEU 26 2HD1 LEU 26 -22.952 -5.043 0.311 205 3HD1 LEU 26 3HD1 LEU 26 -21.544 -4.831 -0.758 206 1HD2 LEU 26 1HD2 LEU 26 -22.114 -6.704 -3.138 207 2HD2 LEU 26 2HD2 LEU 26 -20.713 -6.522 -2.056 208 3HD2 LEU 26 3HD2 LEU 26 -21.506 -8.107 -2.227 209 H LYS 27 H LYS 27 -20.247 -9.250 0.947 210 HA LYS 27 HA LYS 27 -19.624 -11.264 -1.099 211 1HB LYS 27 1HB LYS 27 -17.406 -10.336 -1.302 212 2HB LYS 27 2HB LYS 27 -18.591 -9.085 -1.618 213 1HG LYS 27 1HG LYS 27 -17.700 -7.811 0.029 214 2HG LYS 27 2HG LYS 27 -18.089 -9.048 1.208 215 1HD LYS 27 1HD LYS 27 -15.938 -10.244 0.583 216 2HD LYS 27 2HD LYS 27 -15.541 -8.901 -0.470 217 1HE LYS 27 1HE LYS 27 -16.281 -8.197 2.354 218 2HE LYS 27 2HE LYS 27 -14.754 -9.029 2.137 219 1HZ LYS 27 1HZ LYS 27 -13.925 -7.322 0.901 220 2HZ LYS 27 2HZ LYS 27 -15.383 -6.778 0.406 221 3HZ LYS 27 3HZ LYS 27 -14.877 -6.486 1.931 222 H ARG 28 H ARG 28 -20.671 -12.426 0.969 223 HA ARG 28 HA ARG 28 -18.396 -13.085 2.665 224 1HB ARG 28 1HB ARG 28 -21.031 -12.193 3.396 225 2HB ARG 28 2HB ARG 28 -20.924 -13.878 3.866 226 1HG ARG 28 1HG ARG 28 -18.483 -13.003 4.745 227 2HG ARG 28 2HG ARG 28 -19.397 -11.516 4.896 228 1HD ARG 28 1HD ARG 28 -20.797 -12.370 6.554 229 2HD ARG 28 2HD ARG 28 -20.720 -14.007 5.934 230 HE ARG 28 HE ARG 28 -18.838 -14.406 7.272 231 1HH1 ARG 28 1HH1 ARG 28 -16.953 -12.227 9.240 232 2HH1 ARG 28 2HH1 ARG 28 -17.250 -13.883 8.829 233 1HH2 ARG 28 1HH2 ARG 28 -18.167 -10.540 8.209 234 2HH2 ARG 28 2HH2 ARG 28 -19.371 -10.937 7.028 235 H THR 29 H THR 29 -18.611 -15.424 3.609 236 HA THR 29 HA THR 29 -18.714 -17.615 3.251 237 HB THR 29 HB THR 29 -21.272 -16.791 1.781 238 HG1 THR 29 1HG THR 29 -22.085 -17.065 3.892 239 1HG2 THR 29 1HG2 THR 29 -21.266 -19.024 1.150 240 2HG2 THR 29 2HG2 THR 29 -20.035 -19.460 2.359 241 3HG2 THR 29 3HG2 THR 29 -21.737 -19.279 2.847 242 HA PRO 30 HA PRO 30 -16.661 -17.361 -0.688 243 1HB PRO 30 1HB PRO 30 -14.312 -18.509 0.109 244 2HB PRO 30 2HB PRO 30 -14.585 -16.778 0.121 245 1HG PRO 30 1HG PRO 30 -14.526 -18.661 2.399 246 2HG PRO 30 2HG PRO 30 -14.372 -16.915 2.413 247 1HD PRO 30 1HD PRO 30 -16.691 -18.438 3.140 248 2HD PRO 30 2HD PRO 30 -16.572 -16.693 3.042 249 H ARG 31 H ARG 31 -18.147 -18.734 -1.673 250 HA ARG 31 HA ARG 31 -17.188 -21.471 -1.520 251 1HB ARG 31 1HB ARG 31 -19.743 -20.514 -0.616 252 2HB ARG 31 2HB ARG 31 -20.042 -21.419 -2.086 253 1HG ARG 31 1HG ARG 31 -18.442 -23.227 -1.007 254 2HG ARG 31 2HG ARG 31 -18.767 -22.382 0.493 255 1HD ARG 31 1HD ARG 31 -21.117 -23.129 -1.255 256 2HD ARG 31 2HD ARG 31 -20.333 -24.400 -0.338 257 HE ARG 31 HE ARG 31 -21.109 -23.432 1.673 258 1HH1 ARG 31 1HH1 ARG 31 -23.166 -20.647 2.109 259 2HH1 ARG 31 2HH1 ARG 31 -22.465 -22.036 2.870 260 1HH2 ARG 31 1HH2 ARG 31 -22.728 -20.204 -0.127 261 2HH2 ARG 31 2HH2 ARG 31 -21.699 -21.262 -1.034 262 H ARG 32 H ARG 32 -17.564 -22.730 -3.520 263 HA ARG 32 HA ARG 32 -18.024 -20.948 -5.774 264 1HB ARG 32 1HB ARG 32 -16.123 -23.246 -5.315 265 2HB ARG 32 2HB ARG 32 -16.725 -23.018 -6.945 266 1HG ARG 32 1HG ARG 32 -15.583 -21.029 -7.245 267 2HG ARG 32 2HG ARG 32 -15.795 -20.527 -5.579 268 1HD ARG 32 1HD ARG 32 -13.593 -21.076 -5.311 269 2HD ARG 32 2HD ARG 32 -14.142 -22.740 -5.279 270 HE ARG 32 HE ARG 32 -12.732 -21.410 -7.471 271 1HH1 ARG 32 1HH1 ARG 32 -12.893 -24.215 -9.540 272 2HH1 ARG 32 2HH1 ARG 32 -12.162 -22.664 -9.294 273 1HH2 ARG 32 1HH2 ARG 32 -14.450 -25.019 -8.018 274 2HH2 ARG 32 2HH2 ARG 32 -14.881 -24.068 -6.636 Start of MODEL 11 1 H THR 1 H THR 1 -30.942 27.366 6.139 2 HA THR 1 HA THR 1 -28.360 26.181 5.407 3 HB THR 1 HB THR 1 -29.396 27.721 7.840 4 HG1 THR 1 1HG THR 1 -28.383 29.312 6.672 5 1HG2 THR 1 1HG2 THR 1 -27.761 26.277 8.823 6 2HG2 THR 1 2HG2 THR 1 -26.780 26.241 7.338 7 3HG2 THR 1 3HG2 THR 1 -26.817 27.709 8.345 8 H SER 2 H SER 2 -30.950 25.850 7.929 9 HA SER 2 HA SER 2 -29.976 23.188 8.413 10 1HB SER 2 1HB SER 2 -31.607 23.181 10.275 11 2HB SER 2 2HB SER 2 -30.579 24.599 10.337 12 HG SER 2 HG SER 2 -32.933 24.987 10.664 13 H SER 3 H SER 3 -31.515 24.254 5.883 14 HA SER 3 HA SER 3 -33.778 22.441 6.050 15 1HB SER 3 1HB SER 3 -34.081 24.864 5.301 16 2HB SER 3 2HB SER 3 -33.150 24.475 3.869 17 HG SER 3 HG SER 3 -35.686 24.275 3.948 18 H ILE 4 H ILE 4 -30.649 23.044 4.494 19 HA ILE 4 HA ILE 4 -31.057 21.134 2.407 20 HB ILE 4 HB ILE 4 -28.608 22.573 3.427 21 1HG1 ILE 4 1HG1 ILE 4 -30.454 23.953 2.416 22 2HG1 ILE 4 2HG1 ILE 4 -28.898 24.076 1.619 23 1HG2 ILE 4 1HG2 ILE 4 -27.556 21.866 1.293 24 2HG2 ILE 4 2HG2 ILE 4 -27.889 20.515 2.404 25 3HG2 ILE 4 3HG2 ILE 4 -28.946 20.794 0.999 26 1HD1 ILE 4 1HD1 ILE 4 -29.619 22.470 -0.120 27 2HD1 ILE 4 2HD1 ILE 4 -31.182 22.266 0.707 28 3HD1 ILE 4 3HD1 ILE 4 -30.758 23.835 -0.020 29 H VAL 5 H VAL 5 -28.961 21.240 5.378 30 HA VAL 5 HA VAL 5 -27.967 18.724 5.272 31 HB VAL 5 HB VAL 5 -28.896 20.348 7.645 32 1HG1 VAL 5 1HG1 VAL 5 -28.577 17.805 8.014 33 2HG1 VAL 5 2HG1 VAL 5 -26.844 18.139 7.787 34 3HG1 VAL 5 3HG1 VAL 5 -27.738 18.932 9.106 35 1HG2 VAL 5 1HG2 VAL 5 -27.178 21.379 6.158 36 2HG2 VAL 5 2HG2 VAL 5 -26.593 21.065 7.810 37 3HG2 VAL 5 3HG2 VAL 5 -26.117 19.985 6.477 38 H HIS 6 H HIS 6 -31.111 19.725 6.793 39 HA HIS 6 HA HIS 6 -31.930 17.300 7.674 40 1HB HIS 6 1HB HIS 6 -33.035 19.829 7.358 41 2HB HIS 6 2HB HIS 6 -34.091 18.811 6.399 42 HD1 HIS 6 1HD HIS 6 -32.464 18.435 9.869 43 HD2 HIS 6 2HD HIS 6 -36.157 17.947 7.939 44 HE1 HIS 6 1HE HIS 6 -34.101 17.626 11.651 45 HE2 HIS 6 2HE HIS 6 -36.364 17.397 10.418 46 H LEU 7 H LEU 7 -32.760 18.703 4.418 47 HA LEU 7 HA LEU 7 -33.986 16.491 3.389 48 1HB LEU 7 1HB LEU 7 -34.124 18.520 2.232 49 2HB LEU 7 2HB LEU 7 -32.383 18.710 2.153 50 HG LEU 7 HG LEU 7 -32.396 16.616 0.650 51 1HD1 LEU 7 1HD1 LEU 7 -35.132 17.277 -0.224 52 2HD1 LEU 7 2HD1 LEU 7 -34.304 15.706 -0.105 53 3HD1 LEU 7 3HD1 LEU 7 -35.022 16.446 1.346 54 1HD2 LEU 7 1HD2 LEU 7 -32.164 18.010 -1.089 55 2HD2 LEU 7 2HD2 LEU 7 -33.784 18.715 -0.875 56 3HD2 LEU 7 3HD2 LEU 7 -32.423 19.295 0.115 57 H CYS 8 H CYS 8 -30.458 17.329 3.258 58 HA CYS 8 HA CYS 8 -29.677 15.084 1.859 59 1HB CYS 8 1HB CYS 8 -28.217 16.851 3.833 60 2HB CYS 8 2HB CYS 8 -27.427 15.505 3.035 61 HG CYS 8 HG CYS 8 -27.108 16.455 0.875 62 H ALA 9 H ALA 9 -30.588 15.607 5.254 63 HA ALA 9 HA ALA 9 -29.647 12.939 5.969 64 1HB ALA 9 1HB ALA 9 -29.493 15.293 7.305 65 2HB ALA 9 2HB ALA 9 -31.045 14.692 7.935 66 3HB ALA 9 3HB ALA 9 -29.570 13.713 8.120 67 H ILE 10 H ILE 10 -31.729 13.077 4.007 68 HA ILE 10 HA ILE 10 -33.826 11.761 5.540 69 HB ILE 10 HB ILE 10 -34.146 14.207 3.860 70 1HG1 ILE 10 1HG1 ILE 10 -35.655 13.284 6.316 71 2HG1 ILE 10 2HG1 ILE 10 -34.149 14.176 6.400 72 1HG2 ILE 10 1HG2 ILE 10 -35.866 11.806 3.736 73 2HG2 ILE 10 2HG2 ILE 10 -36.712 13.348 4.007 74 3HG2 ILE 10 3HG2 ILE 10 -35.665 13.146 2.582 75 1HD1 ILE 10 1HD1 ILE 10 -36.771 15.095 5.147 76 2HD1 ILE 10 2HD1 ILE 10 -35.925 15.802 6.545 77 3HD1 ILE 10 3HD1 ILE 10 -35.232 15.959 4.913 78 H SER 11 H SER 11 -32.522 12.676 2.287 79 HA SER 11 HA SER 11 -33.768 10.515 1.017 80 1HB SER 11 1HB SER 11 -32.725 12.747 0.064 81 2HB SER 11 2HB SER 11 -31.237 11.825 -0.010 82 HG SER 11 HG SER 11 -33.726 10.949 -1.203 83 H LEU 12 H LEU 12 -30.470 11.092 2.378 84 HA LEU 12 HA LEU 12 -29.321 8.717 1.485 85 1HB LEU 12 1HB LEU 12 -28.734 10.491 3.853 86 2HB LEU 12 2HB LEU 12 -27.736 9.122 3.404 87 HG LEU 12 HG LEU 12 -28.323 11.416 1.519 88 1HD1 LEU 12 1HD1 LEU 12 -27.220 12.270 3.547 89 2HD1 LEU 12 2HD1 LEU 12 -25.910 11.085 3.324 90 3HD1 LEU 12 3HD1 LEU 12 -26.168 12.365 2.114 91 1HD2 LEU 12 1HD2 LEU 12 -27.599 9.626 0.226 92 2HD2 LEU 12 2HD2 LEU 12 -26.099 10.530 0.541 93 3HD2 LEU 12 3HD2 LEU 12 -26.460 9.053 1.468 94 H ASP 13 H ASP 13 -31.119 9.525 4.515 95 HA ASP 13 HA ASP 13 -30.771 7.342 5.958 96 1HB ASP 13 1HB ASP 13 -32.689 9.392 5.814 97 2HB ASP 13 2HB ASP 13 -33.654 7.934 5.697 98 H ARG 14 H ARG 14 -33.347 7.715 3.396 99 HA ARG 14 HA ARG 14 -34.489 5.343 3.447 100 1HB ARG 14 1HB ARG 14 -34.031 7.394 1.434 101 2HB ARG 14 2HB ARG 14 -33.982 5.823 0.659 102 1HG ARG 14 1HG ARG 14 -36.172 5.494 2.292 103 2HG ARG 14 2HG ARG 14 -36.271 7.216 1.982 104 1HD ARG 14 1HD ARG 14 -37.365 6.581 0.068 105 2HD ARG 14 2HD ARG 14 -35.753 6.302 -0.559 106 HE ARG 14 HE ARG 14 -36.068 3.967 -0.345 107 1HH1 ARG 14 1HH1 ARG 14 -38.943 2.241 0.625 108 2HH1 ARG 14 2HH1 ARG 14 -37.378 2.109 -0.106 109 1HH2 ARG 14 1HH2 ARG 14 -39.709 4.305 1.360 110 2HH2 ARG 14 2HH2 ARG 14 -38.717 5.712 1.179 111 H TYR 15 H TYR 15 -31.327 6.107 1.856 112 HA TYR 15 HA TYR 15 -30.966 3.291 1.209 113 1HB TYR 15 1HB TYR 15 -29.160 5.753 0.819 114 2HB TYR 15 2HB TYR 15 -29.046 4.244 -0.065 115 HD1 TYR 15 1HD TYR 15 -31.066 3.593 -1.565 116 HD2 TYR 15 2HD TYR 15 -30.424 7.538 -0.039 117 HE1 TYR 15 1HE TYR 15 -32.578 4.547 -3.374 118 HE2 TYR 15 2HE TYR 15 -31.938 8.478 -1.852 119 HH TYR 15 HH TYR 15 -32.591 7.237 -4.474 120 H TRP 16 H TRP 16 -31.083 3.565 3.953 121 HA TRP 16 HA TRP 16 -28.252 3.542 4.745 122 1HB TRP 16 1HB TRP 16 -29.467 5.284 5.869 123 2HB TRP 16 2HB TRP 16 -30.741 4.174 6.334 124 HD1 TRP 16 HD TRP 16 -30.515 3.641 8.873 125 HE1 TRP 16 1HE TRP 16 -28.615 3.209 10.652 126 HE3 TRP 16 3HE TRP 16 -26.630 4.323 5.664 127 HZ2 TRP 16 2HZ TRP 16 -25.764 3.201 10.521 128 HZ3 TRP 16 3HZ TRP 16 -24.320 4.085 6.570 129 HH2 TRP 16 HH TRP 16 -23.856 3.544 8.908 130 H SER 17 H SER 17 -31.486 2.099 5.608 131 HA SER 17 HA SER 17 -30.470 -0.107 6.860 132 1HB SER 17 1HB SER 17 -32.915 0.804 6.661 133 2HB SER 17 2HB SER 17 -33.025 -0.191 5.223 134 HG SER 17 HG SER 17 -32.026 -1.873 6.940 135 H ILE 18 H ILE 18 -31.586 0.253 3.415 136 HA ILE 18 HA ILE 18 -31.212 -2.229 2.474 137 HB ILE 18 HB ILE 18 -30.589 0.440 1.231 138 1HG1 ILE 18 1HG1 ILE 18 -32.807 -1.159 0.189 139 2HG1 ILE 18 2HG1 ILE 18 -32.984 -0.803 1.895 140 1HG2 ILE 18 1HG2 ILE 18 -30.703 -2.226 -0.205 141 2HG2 ILE 18 2HG2 ILE 18 -30.469 -0.621 -0.937 142 3HG2 ILE 18 3HG2 ILE 18 -29.219 -1.302 0.131 143 1HD1 ILE 18 1HD1 ILE 18 -33.610 0.930 -0.196 144 2HD1 ILE 18 2HD1 ILE 18 -33.387 1.403 1.505 145 3HD1 ILE 18 3HD1 ILE 18 -32.029 1.530 0.361 146 H THR 19 H THR 19 -28.574 0.278 2.552 147 HA THR 19 HA THR 19 -26.546 -1.505 1.833 148 HB THR 19 HB THR 19 -26.649 1.176 3.294 149 HG1 THR 19 1HG THR 19 -27.163 1.166 1.030 150 1HG2 THR 19 1HG2 THR 19 -24.130 0.253 1.959 151 2HG2 THR 19 2HG2 THR 19 -24.335 1.289 3.392 152 3HG2 THR 19 3HG2 THR 19 -24.469 -0.479 3.546 153 H GLN 20 H GLN 20 -27.769 -0.503 5.078 154 HA GLN 20 HA GLN 20 -25.851 -2.198 6.331 155 1HB GLN 20 1HB GLN 20 -26.572 -0.096 7.401 156 2HB GLN 20 2HB GLN 20 -28.233 -0.654 7.446 157 1HG GLN 20 1HG GLN 20 -27.859 -1.745 9.396 158 2HG GLN 20 2HG GLN 20 -26.577 -2.687 8.661 159 1HE2 GLN 20 1HE2 GLN 20 -24.561 -2.373 9.271 160 2HE2 GLN 20 2HE2 GLN 20 -23.963 -1.065 10.235 161 H ALA 21 H ALA 21 -26.935 -3.948 4.694 162 HA ALA 21 HA ALA 21 -28.219 -5.799 6.393 163 1HB ALA 21 1HB ALA 21 -30.302 -5.949 4.847 164 2HB ALA 21 2HB ALA 21 -30.260 -4.662 6.076 165 3HB ALA 21 3HB ALA 21 -29.891 -4.282 4.377 166 H ILE 22 H ILE 22 -27.637 -4.702 2.996 167 HA ILE 22 HA ILE 22 -27.476 -7.326 1.969 168 HB ILE 22 HB ILE 22 -26.646 -4.613 0.968 169 1HG1 ILE 22 1HG1 ILE 22 -28.765 -6.474 -0.116 170 2HG1 ILE 22 2HG1 ILE 22 -29.096 -5.353 1.189 171 1HG2 ILE 22 1HG2 ILE 22 -26.291 -5.731 -1.250 172 2HG2 ILE 22 2HG2 ILE 22 -25.051 -6.087 -0.023 173 3HG2 ILE 22 3HG2 ILE 22 -26.306 -7.293 -0.397 174 1HD1 ILE 22 1HD1 ILE 22 -27.800 -4.406 -1.392 175 2HD1 ILE 22 2HD1 ILE 22 -29.567 -4.543 -1.232 176 3HD1 ILE 22 3HD1 ILE 22 -28.660 -3.442 -0.167 177 H GLU 23 H GLU 23 -24.888 -4.845 2.593 178 HA GLU 23 HA GLU 23 -22.785 -6.498 2.117 179 1HB GLU 23 1HB GLU 23 -22.721 -4.002 2.501 180 2HB GLU 23 2HB GLU 23 -22.895 -4.292 4.221 181 1HG GLU 23 1HG GLU 23 -20.780 -6.000 3.418 182 2HG GLU 23 2HG GLU 23 -20.502 -4.509 2.539 183 H TYR 24 H TYR 24 -25.057 -6.554 4.764 184 HA TYR 24 HA TYR 24 -23.471 -7.637 6.783 185 1HB TYR 24 1HB TYR 24 -26.052 -6.792 6.434 186 2HB TYR 24 2HB TYR 24 -26.335 -8.509 6.222 187 HD1 TYR 24 1HD TYR 24 -25.210 -5.920 8.615 188 HD2 TYR 24 2HD TYR 24 -26.273 -10.031 8.090 189 HE1 TYR 24 1HE TYR 24 -25.318 -6.222 11.137 190 HE2 TYR 24 2HE TYR 24 -26.378 -10.319 10.614 191 HH TYR 24 HH TYR 24 -25.268 -9.150 12.604 192 H ASN 25 H ASN 25 -25.105 -9.124 3.956 193 HA ASN 25 HA ASN 25 -23.586 -11.514 4.527 194 1HB ASN 25 1HB ASN 25 -26.516 -11.278 4.711 195 2HB ASN 25 2HB ASN 25 -26.063 -12.460 3.500 196 1HD2 ASN 25 1HD2 ASN 25 -25.831 -11.519 6.860 197 2HD2 ASN 25 2HD2 ASN 25 -25.362 -13.052 7.516 198 H LEU 26 H LEU 26 -22.324 -10.685 2.656 199 HA LEU 26 HA LEU 26 -23.758 -11.057 0.121 200 1HB LEU 26 1HB LEU 26 -23.433 -8.746 0.268 201 2HB LEU 26 2HB LEU 26 -21.829 -8.912 0.952 202 HG LEU 26 HG LEU 26 -21.976 -10.121 -1.693 203 1HD1 LEU 26 1HD1 LEU 26 -23.536 -8.636 -2.476 204 2HD1 LEU 26 2HD1 LEU 26 -23.057 -7.353 -1.339 205 3HD1 LEU 26 3HD1 LEU 26 -22.040 -7.713 -2.755 206 1HD2 LEU 26 1HD2 LEU 26 -20.060 -8.503 -2.060 207 2HD2 LEU 26 2HD2 LEU 26 -20.287 -7.993 -0.370 208 3HD2 LEU 26 3HD2 LEU 26 -19.859 -9.680 -0.740 209 H LYS 27 H LYS 27 -20.451 -10.899 1.625 210 HA LYS 27 HA LYS 27 -19.778 -13.217 -0.051 211 1HB LYS 27 1HB LYS 27 -17.474 -12.403 -0.071 212 2HB LYS 27 2HB LYS 27 -18.570 -11.226 -0.765 213 1HG LYS 27 1HG LYS 27 -18.155 -9.686 0.877 214 2HG LYS 27 2HG LYS 27 -18.237 -10.883 2.154 215 1HD LYS 27 1HD LYS 27 -15.924 -11.680 1.493 216 2HD LYS 27 2HD LYS 27 -15.849 -10.383 0.316 217 1HE LYS 27 1HE LYS 27 -15.968 -8.681 2.048 218 2HE LYS 27 2HE LYS 27 -16.385 -9.863 3.273 219 1HZ LYS 27 1HZ LYS 27 -14.262 -10.669 3.308 220 2HZ LYS 27 2HZ LYS 27 -13.888 -10.156 1.803 221 3HZ LYS 27 3HZ LYS 27 -13.974 -9.085 3.033 222 H ARG 28 H ARG 28 -21.029 -14.155 1.975 223 HA ARG 28 HA ARG 28 -18.919 -14.848 3.840 224 1HB ARG 28 1HB ARG 28 -20.708 -13.128 4.732 225 2HB ARG 28 2HB ARG 28 -21.795 -14.502 4.776 226 1HG ARG 28 1HG ARG 28 -19.219 -15.203 5.978 227 2HG ARG 28 2HG ARG 28 -19.877 -13.769 6.740 228 1HD ARG 28 1HD ARG 28 -21.987 -15.758 6.321 229 2HD ARG 28 2HD ARG 28 -20.651 -16.462 7.210 230 HE ARG 28 HE ARG 28 -20.982 -14.069 8.510 231 1HH1 ARG 28 1HH1 ARG 28 -23.846 -14.599 10.432 232 2HH1 ARG 28 2HH1 ARG 28 -22.402 -13.658 10.251 233 1HH2 ARG 28 1HH2 ARG 28 -24.336 -16.276 8.904 234 2HH2 ARG 28 2HH2 ARG 28 -23.258 -16.587 7.584 235 H THR 29 H THR 29 -18.714 -17.070 4.021 236 HA THR 29 HA THR 29 -19.087 -19.204 3.387 237 HB THR 29 HB THR 29 -21.008 -20.138 4.723 238 HG1 THR 29 1HG THR 29 -22.656 -18.695 5.033 239 1HG2 THR 29 1HG2 THR 29 -18.949 -19.444 5.993 240 2HG2 THR 29 2HG2 THR 29 -19.614 -17.799 6.132 241 3HG2 THR 29 3HG2 THR 29 -20.431 -19.161 6.936 242 HA PRO 30 HA PRO 30 -21.796 -18.324 -0.129 243 1HB PRO 30 1HB PRO 30 -19.927 -18.467 -2.117 244 2HB PRO 30 2HB PRO 30 -20.440 -16.957 -1.392 245 1HG PRO 30 1HG PRO 30 -17.919 -18.446 -0.984 246 2HG PRO 30 2HG PRO 30 -18.275 -16.770 -0.619 247 1HD PRO 30 1HD PRO 30 -18.119 -18.937 1.253 248 2HD PRO 30 2HD PRO 30 -18.587 -17.284 1.600 249 H ARG 31 H ARG 31 -23.024 -19.873 -1.024 250 HA ARG 31 HA ARG 31 -21.679 -22.452 -1.075 251 1HB ARG 31 1HB ARG 31 -24.130 -21.654 0.119 252 2HB ARG 31 2HB ARG 31 -24.607 -22.571 -1.296 253 1HG ARG 31 1HG ARG 31 -22.384 -23.828 0.210 254 2HG ARG 31 2HG ARG 31 -23.847 -23.657 1.159 255 1HD ARG 31 1HD ARG 31 -25.159 -24.888 -0.491 256 2HD ARG 31 2HD ARG 31 -23.842 -24.860 -1.647 257 HE ARG 31 HE ARG 31 -22.662 -26.130 0.465 258 1HH1 ARG 31 1HH1 ARG 31 -24.077 -29.319 0.412 259 2HH1 ARG 31 2HH1 ARG 31 -22.729 -28.365 0.934 260 1HH2 ARG 31 1HH2 ARG 31 -25.815 -28.327 -0.763 261 2HH2 ARG 31 2HH2 ARG 31 -25.764 -26.633 -1.119 262 H ARG 32 H ARG 32 -20.816 -22.152 -3.241 263 HA ARG 32 HA ARG 32 -22.834 -21.791 -5.288 264 1HB ARG 32 1HB ARG 32 -19.837 -21.409 -5.158 265 2HB ARG 32 2HB ARG 32 -20.551 -21.751 -6.721 266 1HG ARG 32 1HG ARG 32 -22.104 -19.821 -6.453 267 2HG ARG 32 2HG ARG 32 -21.439 -19.491 -4.866 268 1HD ARG 32 1HD ARG 32 -19.496 -19.650 -7.164 269 2HD ARG 32 2HD ARG 32 -20.538 -18.243 -7.092 270 HE ARG 32 HE ARG 32 -19.260 -18.864 -4.528 271 1HH1 ARG 32 1HH1 ARG 32 -17.066 -16.161 -4.761 272 2HH1 ARG 32 2HH1 ARG 32 -17.725 -17.378 -3.719 273 1HH2 ARG 32 1HH2 ARG 32 -17.743 -16.040 -6.978 274 2HH2 ARG 32 2HH2 ARG 32 -18.907 -17.167 -7.591 Start of MODEL 12 1 H THR 1 H THR 1 -27.227 26.310 4.748 2 HA THR 1 HA THR 1 -25.083 24.508 3.858 3 HB THR 1 HB THR 1 -25.044 26.620 6.067 4 HG1 THR 1 1HG THR 1 -24.398 26.887 3.671 5 1HG2 THR 1 1HG2 THR 1 -23.193 24.238 5.557 6 2HG2 THR 1 2HG2 THR 1 -22.674 25.690 6.446 7 3HG2 THR 1 3HG2 THR 1 -23.989 24.677 7.087 8 H SER 2 H SER 2 -27.148 25.460 6.686 9 HA SER 2 HA SER 2 -27.052 22.732 7.562 10 1HB SER 2 1HB SER 2 -28.277 23.542 9.525 11 2HB SER 2 2HB SER 2 -26.922 24.603 9.193 12 HG SER 2 HG SER 2 -28.423 26.139 9.295 13 H SER 3 H SER 3 -28.867 24.580 5.355 14 HA SER 3 HA SER 3 -31.327 23.171 5.893 15 1HB SER 3 1HB SER 3 -31.512 25.549 5.370 16 2HB SER 3 2HB SER 3 -30.586 25.350 3.896 17 HG SER 3 HG SER 3 -32.599 23.611 3.678 18 H ILE 4 H ILE 4 -29.157 21.482 5.173 19 HA ILE 4 HA ILE 4 -30.162 20.489 2.625 20 HB ILE 4 HB ILE 4 -27.266 21.076 3.234 21 1HG1 ILE 4 1HG1 ILE 4 -28.945 21.946 0.871 22 2HG1 ILE 4 2HG1 ILE 4 -28.777 22.907 2.326 23 1HG2 ILE 4 1HG2 ILE 4 -28.251 19.667 0.758 24 2HG2 ILE 4 2HG2 ILE 4 -26.590 19.829 1.375 25 3HG2 ILE 4 3HG2 ILE 4 -27.751 18.772 2.213 26 1HD1 ILE 4 1HD1 ILE 4 -27.138 23.449 0.428 27 2HD1 ILE 4 2HD1 ILE 4 -26.402 23.156 2.022 28 3HD1 ILE 4 3HD1 ILE 4 -26.363 21.885 0.776 29 H VAL 5 H VAL 5 -27.679 19.850 5.208 30 HA VAL 5 HA VAL 5 -27.580 17.173 5.103 31 HB VAL 5 HB VAL 5 -27.632 19.031 7.479 32 1HG1 VAL 5 1HG1 VAL 5 -27.356 16.056 7.375 33 2HG1 VAL 5 2HG1 VAL 5 -26.291 16.956 8.481 34 3HG1 VAL 5 3HG1 VAL 5 -28.058 17.100 8.634 35 1HG2 VAL 5 1HG2 VAL 5 -25.546 19.518 6.864 36 2HG2 VAL 5 2HG2 VAL 5 -25.098 17.800 6.982 37 3HG2 VAL 5 3HG2 VAL 5 -25.715 18.455 5.447 38 H HIS 6 H HIS 6 -29.947 18.979 7.199 39 HA HIS 6 HA HIS 6 -31.388 16.940 8.130 40 1HB HIS 6 1HB HIS 6 -31.720 19.391 8.545 41 2HB HIS 6 2HB HIS 6 -32.595 19.492 7.030 42 HD1 HIS 6 1HD HIS 6 -32.861 18.004 10.508 43 HD2 HIS 6 2HD HIS 6 -35.238 18.581 7.100 44 HE1 HIS 6 1HE HIS 6 -35.251 17.435 11.198 45 HE2 HIS 6 2HE HIS 6 -36.673 17.861 9.078 46 H LEU 7 H LEU 7 -31.974 18.540 4.919 47 HA LEU 7 HA LEU 7 -34.012 16.828 4.132 48 1HB LEU 7 1HB LEU 7 -32.704 19.048 3.132 49 2HB LEU 7 2HB LEU 7 -32.301 17.798 1.972 50 HG LEU 7 HG LEU 7 -34.935 17.339 2.118 51 1HD1 LEU 7 1HD1 LEU 7 -36.054 19.637 2.149 52 2HD1 LEU 7 2HD1 LEU 7 -35.592 18.928 3.715 53 3HD1 LEU 7 3HD1 LEU 7 -34.592 20.208 2.988 54 1HD2 LEU 7 1HD2 LEU 7 -34.018 19.666 0.447 55 2HD2 LEU 7 2HD2 LEU 7 -33.378 18.029 0.165 56 3HD2 LEU 7 3HD2 LEU 7 -35.126 18.337 0.031 57 H CYS 8 H CYS 8 -30.459 16.700 3.383 58 HA CYS 8 HA CYS 8 -30.501 14.401 1.911 59 1HB CYS 8 1HB CYS 8 -28.482 15.921 3.421 60 2HB CYS 8 2HB CYS 8 -28.107 14.215 3.279 61 HG CYS 8 HG CYS 8 -26.932 15.612 1.361 62 H ALA 9 H ALA 9 -30.931 14.941 5.381 63 HA ALA 9 HA ALA 9 -30.246 12.428 6.349 64 1HB ALA 9 1HB ALA 9 -32.569 13.860 7.555 65 2HB ALA 9 2HB ALA 9 -31.086 13.238 8.318 66 3HB ALA 9 3HB ALA 9 -31.050 14.778 7.426 67 H ILE 10 H ILE 10 -33.317 13.705 4.942 68 HA ILE 10 HA ILE 10 -34.685 11.238 5.376 69 HB ILE 10 HB ILE 10 -35.329 13.736 3.817 70 1HG1 ILE 10 1HG1 ILE 10 -37.174 13.467 5.832 71 2HG1 ILE 10 2HG1 ILE 10 -35.732 12.822 6.592 72 1HG2 ILE 10 1HG2 ILE 10 -37.471 12.912 3.320 73 2HG2 ILE 10 2HG2 ILE 10 -36.357 11.596 2.879 74 3HG2 ILE 10 3HG2 ILE 10 -37.281 11.509 4.398 75 1HD1 ILE 10 1HD1 ILE 10 -35.151 14.982 6.992 76 2HD1 ILE 10 2HD1 ILE 10 -34.768 15.085 5.257 77 3HD1 ILE 10 3HD1 ILE 10 -36.368 15.598 5.847 78 H SER 11 H SER 11 -33.362 12.966 2.469 79 HA SER 11 HA SER 11 -33.896 10.744 0.818 80 1HB SER 11 1HB SER 11 -32.596 12.027 -0.884 81 2HB SER 11 2HB SER 11 -33.837 12.998 -0.117 82 HG SER 11 HG SER 11 -31.621 13.984 -0.348 83 H LEU 12 H LEU 12 -32.722 9.312 2.605 84 HA LEU 12 HA LEU 12 -30.400 8.312 1.455 85 1HB LEU 12 1HB LEU 12 -29.201 10.207 2.162 86 2HB LEU 12 2HB LEU 12 -29.966 10.220 3.738 87 HG LEU 12 HG LEU 12 -28.765 7.806 3.867 88 1HD1 LEU 12 1HD1 LEU 12 -26.720 7.669 2.765 89 2HD1 LEU 12 2HD1 LEU 12 -27.816 8.310 1.518 90 3HD1 LEU 12 3HD1 LEU 12 -26.700 9.404 2.369 91 1HD2 LEU 12 1HD2 LEU 12 -26.755 9.662 4.616 92 2HD2 LEU 12 2HD2 LEU 12 -28.332 10.432 4.918 93 3HD2 LEU 12 3HD2 LEU 12 -27.959 8.851 5.646 94 H ASP 13 H ASP 13 -31.637 8.899 4.827 95 HA ASP 13 HA ASP 13 -31.101 6.575 5.938 96 1HB ASP 13 1HB ASP 13 -33.332 8.520 6.160 97 2HB ASP 13 2HB ASP 13 -33.744 6.927 6.765 98 H ARG 14 H ARG 14 -33.772 7.281 3.613 99 HA ARG 14 HA ARG 14 -35.216 5.014 3.826 100 1HB ARG 14 1HB ARG 14 -35.758 6.984 2.361 101 2HB ARG 14 2HB ARG 14 -34.501 6.494 1.243 102 1HG ARG 14 1HG ARG 14 -35.798 4.176 1.223 103 2HG ARG 14 2HG ARG 14 -37.136 5.123 1.842 104 1HD ARG 14 1HD ARG 14 -36.990 6.655 -0.112 105 2HD ARG 14 2HD ARG 14 -35.597 5.781 -0.717 106 HE ARG 14 HE ARG 14 -37.938 4.072 -0.267 107 1HH1 ARG 14 1HH1 ARG 14 -38.543 3.703 -3.684 108 2HH1 ARG 14 2HH1 ARG 14 -38.923 3.122 -2.097 109 1HH2 ARG 14 1HH2 ARG 14 -37.033 5.446 -3.951 110 2HH2 ARG 14 2HH2 ARG 14 -36.287 6.165 -2.563 111 H TYR 15 H TYR 15 -32.796 5.552 1.153 112 HA TYR 15 HA TYR 15 -32.613 2.825 0.523 113 1HB TYR 15 1HB TYR 15 -30.608 5.138 0.166 114 2HB TYR 15 2HB TYR 15 -30.682 3.702 -0.836 115 HD1 TYR 15 1HD TYR 15 -32.701 3.344 -2.331 116 HD2 TYR 15 2HD TYR 15 -31.970 7.036 -0.297 117 HE1 TYR 15 1HE TYR 15 -34.287 4.541 -3.918 118 HE2 TYR 15 2HE TYR 15 -33.558 8.220 -1.890 119 HH TYR 15 HH TYR 15 -35.040 6.469 -4.590 120 H TRP 16 H TRP 16 -30.705 4.980 2.681 121 HA TRP 16 HA TRP 16 -28.479 3.520 3.115 122 1HB TRP 16 1HB TRP 16 -28.359 5.378 4.348 123 2HB TRP 16 2HB TRP 16 -30.084 5.426 4.656 124 HD1 TRP 16 HD TRP 16 -30.939 4.297 6.956 125 HE1 TRP 16 1HE TRP 16 -29.788 3.422 9.163 126 HE3 TRP 16 3HE TRP 16 -26.215 4.200 5.078 127 HZ2 TRP 16 2HZ TRP 16 -27.091 2.802 9.861 128 HZ3 TRP 16 3HZ TRP 16 -24.380 3.447 6.589 129 HH2 TRP 16 HH TRP 16 -24.758 2.764 8.905 130 H SER 17 H SER 17 -31.701 3.100 4.750 131 HA SER 17 HA SER 17 -31.191 1.131 6.432 132 1HB SER 17 1HB SER 17 -33.500 2.065 4.966 133 2HB SER 17 2HB SER 17 -33.570 0.316 5.044 134 HG SER 17 HG SER 17 -34.554 1.013 6.924 135 H ILE 18 H ILE 18 -31.823 0.694 2.883 136 HA ILE 18 HA ILE 18 -31.660 -2.050 2.800 137 HB ILE 18 HB ILE 18 -30.842 0.014 0.755 138 1HG1 ILE 18 1HG1 ILE 18 -33.164 0.223 1.514 139 2HG1 ILE 18 2HG1 ILE 18 -33.070 -0.297 -0.157 140 1HG2 ILE 18 1HG2 ILE 18 -30.125 -1.628 -0.547 141 2HG2 ILE 18 2HG2 ILE 18 -30.489 -2.826 0.719 142 3HG2 ILE 18 3HG2 ILE 18 -31.736 -2.382 -0.470 143 1HD1 ILE 18 1HD1 ILE 18 -33.142 -2.741 0.961 144 2HD1 ILE 18 2HD1 ILE 18 -33.945 -1.841 2.270 145 3HD1 ILE 18 3HD1 ILE 18 -34.631 -1.825 0.628 146 H THR 19 H THR 19 -28.986 0.358 2.283 147 HA THR 19 HA THR 19 -26.919 -1.372 1.912 148 HB THR 19 HB THR 19 -27.034 1.262 3.473 149 HG1 THR 19 1HG THR 19 -26.564 0.353 0.725 150 1HG2 THR 19 1HG2 THR 19 -24.776 1.033 3.745 151 2HG2 THR 19 2HG2 THR 19 -24.799 -0.534 2.902 152 3HG2 THR 19 3HG2 THR 19 -24.626 0.974 1.973 153 H GLN 20 H GLN 20 -28.325 -0.347 5.077 154 HA GLN 20 HA GLN 20 -26.571 -1.429 6.760 155 1HB GLN 20 1HB GLN 20 -29.069 -0.391 7.012 156 2HB GLN 20 2HB GLN 20 -29.439 -2.070 7.346 157 1HG GLN 20 1HG GLN 20 -27.979 -2.152 9.232 158 2HG GLN 20 2HG GLN 20 -27.093 -0.727 8.727 159 1HE2 GLN 20 1HE2 GLN 20 -27.733 -0.537 11.168 160 2HE2 GLN 20 2HE2 GLN 20 -29.123 0.443 11.497 161 H ALA 21 H ALA 21 -29.186 -3.215 5.003 162 HA ALA 21 HA ALA 21 -28.051 -5.721 5.989 163 1HB ALA 21 1HB ALA 21 -30.520 -5.522 4.280 164 2HB ALA 21 2HB ALA 21 -30.137 -6.659 5.595 165 3HB ALA 21 3HB ALA 21 -30.597 -4.981 5.974 166 H ILE 22 H ILE 22 -26.190 -4.649 4.421 167 HA ILE 22 HA ILE 22 -26.365 -6.296 2.045 168 HB ILE 22 HB ILE 22 -26.083 -3.301 1.985 169 1HG1 ILE 22 1HG1 ILE 22 -28.353 -4.271 1.809 170 2HG1 ILE 22 2HG1 ILE 22 -27.865 -3.394 0.373 171 1HG2 ILE 22 1HG2 ILE 22 -24.967 -5.346 0.105 172 2HG2 ILE 22 2HG2 ILE 22 -25.633 -3.832 -0.554 173 3HG2 ILE 22 3HG2 ILE 22 -24.300 -3.780 0.625 174 1HD1 ILE 22 1HD1 ILE 22 -28.321 -5.240 -0.852 175 2HD1 ILE 22 2HD1 ILE 22 -26.980 -6.072 -0.029 176 3HD1 ILE 22 3HD1 ILE 22 -28.631 -6.182 0.626 177 H GLU 23 H GLU 23 -24.321 -3.664 3.509 178 HA GLU 23 HA GLU 23 -21.982 -5.123 2.867 179 1HB GLU 23 1HB GLU 23 -22.615 -2.523 4.250 180 2HB GLU 23 2HB GLU 23 -21.026 -3.217 4.498 181 1HG GLU 23 1HG GLU 23 -21.106 -3.494 1.824 182 2HG GLU 23 2HG GLU 23 -22.276 -2.196 1.948 183 H TYR 24 H TYR 24 -23.035 -7.096 4.108 184 HA TYR 24 HA TYR 24 -21.544 -7.402 6.503 185 1HB TYR 24 1HB TYR 24 -24.284 -6.368 6.549 186 2HB TYR 24 2HB TYR 24 -24.310 -7.989 7.213 187 HD1 TYR 24 1HD TYR 24 -22.224 -8.416 8.939 188 HD2 TYR 24 2HD TYR 24 -24.050 -4.645 8.075 189 HE1 TYR 24 1HE TYR 24 -21.419 -7.507 11.172 190 HE2 TYR 24 2HE TYR 24 -23.239 -3.748 10.312 191 HH TYR 24 HH TYR 24 -22.491 -5.395 12.747 192 H ASN 25 H ASN 25 -24.295 -8.510 4.445 193 HA ASN 25 HA ASN 25 -23.502 -11.232 5.067 194 1HB ASN 25 1HB ASN 25 -26.000 -10.113 3.689 195 2HB ASN 25 2HB ASN 25 -25.705 -11.823 3.935 196 1HD2 ASN 25 1HD2 ASN 25 -25.015 -12.363 6.271 197 2HD2 ASN 25 2HD2 ASN 25 -25.993 -11.692 7.533 198 H LEU 26 H LEU 26 -21.620 -10.044 3.483 199 HA LEU 26 HA LEU 26 -22.189 -11.172 0.848 200 1HB LEU 26 1HB LEU 26 -21.945 -8.387 1.444 201 2HB LEU 26 2HB LEU 26 -20.549 -8.877 0.505 202 HG LEU 26 HG LEU 26 -23.442 -9.305 -0.295 203 1HD1 LEU 26 1HD1 LEU 26 -23.163 -7.030 -0.554 204 2HD1 LEU 26 2HD1 LEU 26 -21.433 -7.174 -0.949 205 3HD1 LEU 26 3HD1 LEU 26 -22.661 -7.642 -2.149 206 1HD2 LEU 26 1HD2 LEU 26 -20.836 -10.050 -1.614 207 2HD2 LEU 26 2HD2 LEU 26 -22.270 -11.058 -1.302 208 3HD2 LEU 26 3HD2 LEU 26 -22.325 -9.795 -2.556 209 H LYS 27 H LYS 27 -19.550 -9.482 2.699 210 HA LYS 27 HA LYS 27 -17.845 -11.770 1.995 211 1HB LYS 27 1HB LYS 27 -17.240 -8.822 2.228 212 2HB LYS 27 2HB LYS 27 -15.975 -10.026 2.360 213 1HG LYS 27 1HG LYS 27 -16.852 -10.998 0.129 214 2HG LYS 27 2HG LYS 27 -17.832 -9.552 -0.011 215 1HD LYS 27 1HD LYS 27 -16.049 -8.274 -0.634 216 2HD LYS 27 2HD LYS 27 -15.049 -8.889 0.668 217 1HE LYS 27 1HE LYS 27 -15.069 -11.105 -0.906 218 2HE LYS 27 2HE LYS 27 -15.337 -9.900 -2.150 219 1HZ LYS 27 1HZ LYS 27 -12.954 -10.540 -1.208 220 2HZ LYS 27 2HZ LYS 27 -13.290 -9.094 -1.888 221 3HZ LYS 27 3HZ LYS 27 -13.278 -9.249 -0.263 222 H ARG 28 H ARG 28 -19.077 -12.683 3.964 223 HA ARG 28 HA ARG 28 -17.778 -11.687 6.370 224 1HB ARG 28 1HB ARG 28 -19.663 -12.802 7.612 225 2HB ARG 28 2HB ARG 28 -20.227 -11.556 6.516 226 1HG ARG 28 1HG ARG 28 -20.824 -13.250 4.822 227 2HG ARG 28 2HG ARG 28 -20.137 -14.526 5.807 228 1HD ARG 28 1HD ARG 28 -21.816 -13.829 7.648 229 2HD ARG 28 2HD ARG 28 -22.594 -12.831 6.436 230 HE ARG 28 HE ARG 28 -22.425 -15.277 5.172 231 1HH1 ARG 28 1HH1 ARG 28 -25.039 -17.057 6.647 232 2HH1 ARG 28 2HH1 ARG 28 -23.992 -16.938 5.273 233 1HH2 ARG 28 1HH2 ARG 28 -24.851 -15.530 8.386 234 2HH2 ARG 28 2HH2 ARG 28 -23.664 -14.272 8.308 235 H THR 29 H THR 29 -17.160 -13.408 8.007 236 HA THR 29 HA THR 29 -16.987 -16.117 7.029 237 HB THR 29 HB THR 29 -15.047 -14.988 5.915 238 HG1 THR 29 1HG THR 29 -14.245 -16.975 6.471 239 1HG2 THR 29 1HG2 THR 29 -13.564 -13.635 7.035 240 2HG2 THR 29 2HG2 THR 29 -14.834 -13.496 8.274 241 3HG2 THR 29 3HG2 THR 29 -13.544 -14.709 8.455 242 HA PRO 30 HA PRO 30 -17.381 -15.572 11.504 243 1HB PRO 30 1HB PRO 30 -19.833 -16.734 11.832 244 2HB PRO 30 2HB PRO 30 -19.605 -15.003 11.679 245 1HG PRO 30 1HG PRO 30 -20.642 -16.920 9.681 246 2HG PRO 30 2HG PRO 30 -20.800 -15.175 9.713 247 1HD PRO 30 1HD PRO 30 -19.022 -16.707 8.065 248 2HD PRO 30 2HD PRO 30 -19.099 -14.960 8.181 249 H ARG 31 H ARG 31 -18.029 -17.376 13.232 250 HA ARG 31 HA ARG 31 -16.758 -19.742 12.110 251 1HB ARG 31 1HB ARG 31 -16.317 -18.208 14.585 252 2HB ARG 31 2HB ARG 31 -16.601 -19.901 14.935 253 1HG ARG 31 1HG ARG 31 -14.840 -20.505 13.216 254 2HG ARG 31 2HG ARG 31 -14.511 -18.797 13.000 255 1HD ARG 31 1HD ARG 31 -14.282 -20.269 15.670 256 2HD ARG 31 2HD ARG 31 -12.928 -19.924 14.614 257 HE ARG 31 HE ARG 31 -14.029 -17.432 14.933 258 1HH1 ARG 31 1HH1 ARG 31 -13.033 -16.532 18.154 259 2HH1 ARG 31 2HH1 ARG 31 -13.568 -15.952 16.612 260 1HH2 ARG 31 1HH2 ARG 31 -12.785 -18.811 18.515 261 2HH2 ARG 31 2HH2 ARG 31 -13.135 -19.933 17.242 262 H ARG 32 H ARG 32 -17.758 -21.776 12.441 263 HA ARG 32 HA ARG 32 -20.252 -21.650 13.938 264 1HB ARG 32 1HB ARG 32 -19.961 -22.115 11.173 265 2HB ARG 32 2HB ARG 32 -20.165 -23.724 11.834 266 1HG ARG 32 1HG ARG 32 -22.141 -22.511 13.216 267 2HG ARG 32 2HG ARG 32 -22.083 -21.399 11.862 268 1HD ARG 32 1HD ARG 32 -21.977 -23.983 10.686 269 2HD ARG 32 2HD ARG 32 -23.162 -24.122 11.969 270 HE ARG 32 HE ARG 32 -23.914 -21.769 10.785 271 1HH1 ARG 32 1HH1 ARG 32 -25.469 -22.810 7.840 272 2HH1 ARG 32 2HH1 ARG 32 -25.321 -21.533 9.000 273 1HH2 ARG 32 1HH2 ARG 32 -24.239 -24.761 8.098 274 2HH2 ARG 32 2HH2 ARG 32 -23.173 -24.940 9.452 Start of MODEL 13 1 H THR 1 H THR 1 -26.589 26.697 7.842 2 HA THR 1 HA THR 1 -27.817 25.534 5.559 3 HB THR 1 HB THR 1 -25.073 25.248 6.890 4 HG1 THR 1 1HG THR 1 -24.653 26.941 5.433 5 1HG2 THR 1 1HG2 THR 1 -25.338 23.324 5.401 6 2HG2 THR 1 2HG2 THR 1 -26.121 24.335 4.162 7 3HG2 THR 1 3HG2 THR 1 -24.391 24.550 4.524 8 H SER 2 H SER 2 -28.593 24.779 8.541 9 HA SER 2 HA SER 2 -28.064 21.969 8.443 10 1HB SER 2 1HB SER 2 -29.212 23.909 10.399 11 2HB SER 2 2HB SER 2 -29.864 22.285 10.490 12 HG SER 2 HG SER 2 -27.085 23.069 10.698 13 H SER 3 H SER 3 -30.378 24.172 7.165 14 HA SER 3 HA SER 3 -32.650 22.530 7.369 15 1HB SER 3 1HB SER 3 -32.969 24.892 7.038 16 2HB SER 3 2HB SER 3 -31.927 24.916 5.630 17 HG SER 3 HG SER 3 -34.064 24.944 4.882 18 H ILE 4 H ILE 4 -29.881 22.764 5.172 19 HA ILE 4 HA ILE 4 -31.143 21.284 3.069 20 HB ILE 4 HB ILE 4 -28.261 22.050 3.549 21 1HG1 ILE 4 1HG1 ILE 4 -29.539 24.043 3.348 22 2HG1 ILE 4 2HG1 ILE 4 -28.751 23.782 1.804 23 1HG2 ILE 4 1HG2 ILE 4 -29.102 20.075 1.882 24 2HG2 ILE 4 2HG2 ILE 4 -29.200 21.491 0.808 25 3HG2 ILE 4 3HG2 ILE 4 -27.663 21.087 1.610 26 1HD1 ILE 4 1HD1 ILE 4 -31.658 23.186 2.503 27 2HD1 ILE 4 2HD1 ILE 4 -31.048 24.393 1.345 28 3HD1 ILE 4 3HD1 ILE 4 -30.888 22.656 0.988 29 H VAL 5 H VAL 5 -28.446 20.606 5.414 30 HA VAL 5 HA VAL 5 -27.955 18.033 4.850 31 HB VAL 5 HB VAL 5 -28.165 19.459 7.497 32 1HG1 VAL 5 1HG1 VAL 5 -27.970 17.531 8.598 33 2HG1 VAL 5 2HG1 VAL 5 -27.960 16.620 7.069 34 3HG1 VAL 5 3HG1 VAL 5 -26.433 17.228 7.752 35 1HG2 VAL 5 1HG2 VAL 5 -25.670 19.385 7.331 36 2HG2 VAL 5 2HG2 VAL 5 -25.841 18.692 5.701 37 3HG2 VAL 5 3HG2 VAL 5 -26.451 20.330 6.041 38 H HIS 6 H HIS 6 -30.525 19.124 7.184 39 HA HIS 6 HA HIS 6 -31.594 16.758 7.825 40 1HB HIS 6 1HB HIS 6 -32.615 18.479 8.906 41 2HB HIS 6 2HB HIS 6 -32.666 19.504 7.486 42 HD1 HIS 6 1HD HIS 6 -34.781 19.431 6.017 43 HD2 HIS 6 2HD HIS 6 -34.801 16.626 9.137 44 HE1 HIS 6 1HE HIS 6 -37.152 18.495 6.122 45 HE2 HIS 6 2HE HIS 6 -37.089 16.738 8.021 46 H LEU 7 H LEU 7 -32.792 18.738 5.013 47 HA LEU 7 HA LEU 7 -34.477 16.884 3.956 48 1HB LEU 7 1HB LEU 7 -34.504 19.056 3.102 49 2HB LEU 7 2HB LEU 7 -32.790 19.046 2.736 50 HG LEU 7 HG LEU 7 -33.585 17.054 1.098 51 1HD1 LEU 7 1HD1 LEU 7 -35.947 17.262 1.778 52 2HD1 LEU 7 2HD1 LEU 7 -35.960 18.936 1.175 53 3HD1 LEU 7 3HD1 LEU 7 -35.703 17.585 0.045 54 1HD2 LEU 7 1HD2 LEU 7 -34.093 19.487 -0.314 55 2HD2 LEU 7 2HD2 LEU 7 -32.782 19.768 0.857 56 3HD2 LEU 7 3HD2 LEU 7 -32.643 18.455 -0.336 57 H CYS 8 H CYS 8 -31.046 17.388 2.850 58 HA CYS 8 HA CYS 8 -30.881 15.238 1.217 59 1HB CYS 8 1HB CYS 8 -28.962 16.904 2.704 60 2HB CYS 8 2HB CYS 8 -28.361 15.296 2.348 61 HG CYS 8 HG CYS 8 -27.493 16.622 0.400 62 H ALA 9 H ALA 9 -31.054 15.383 4.745 63 HA ALA 9 HA ALA 9 -30.133 12.668 5.081 64 1HB ALA 9 1HB ALA 9 -31.294 13.520 7.463 65 2HB ALA 9 2HB ALA 9 -29.575 13.671 7.025 66 3HB ALA 9 3HB ALA 9 -30.690 15.029 6.737 67 H ILE 10 H ILE 10 -32.099 12.490 3.238 68 HA ILE 10 HA ILE 10 -34.229 11.242 4.784 69 HB ILE 10 HB ILE 10 -34.661 13.287 2.606 70 1HG1 ILE 10 1HG1 ILE 10 -34.216 14.094 4.959 71 2HG1 ILE 10 2HG1 ILE 10 -35.726 14.618 4.239 72 1HG2 ILE 10 1HG2 ILE 10 -37.149 12.584 3.554 73 2HG2 ILE 10 2HG2 ILE 10 -36.426 12.054 2.016 74 3HG2 ILE 10 3HG2 ILE 10 -36.306 11.019 3.459 75 1HD1 ILE 10 1HD1 ILE 10 -35.858 13.761 6.660 76 2HD1 ILE 10 2HD1 ILE 10 -37.015 13.042 5.514 77 3HD1 ILE 10 3HD1 ILE 10 -35.560 12.136 5.996 78 H SER 11 H SER 11 -32.875 11.911 1.484 79 HA SER 11 HA SER 11 -33.901 9.489 0.479 80 1HB SER 11 1HB SER 11 -33.225 11.688 -0.773 81 2HB SER 11 2HB SER 11 -31.597 11.041 -0.744 82 HG SER 11 HG SER 11 -32.206 9.313 -2.033 83 H LEU 12 H LEU 12 -30.701 10.638 1.693 84 HA LEU 12 HA LEU 12 -29.255 8.347 1.021 85 1HB LEU 12 1HB LEU 12 -28.096 10.331 1.510 86 2HB LEU 12 2HB LEU 12 -28.899 10.533 3.054 87 HG LEU 12 HG LEU 12 -27.709 8.427 3.831 88 1HD1 LEU 12 1HD1 LEU 12 -25.546 7.986 2.538 89 2HD1 LEU 12 2HD1 LEU 12 -27.059 7.345 1.855 90 3HD1 LEU 12 3HD1 LEU 12 -26.331 8.820 1.176 91 1HD2 LEU 12 1HD2 LEU 12 -25.382 9.937 3.563 92 2HD2 LEU 12 2HD2 LEU 12 -26.702 11.129 3.485 93 3HD2 LEU 12 3HD2 LEU 12 -26.577 10.028 4.879 94 H ASP 13 H ASP 13 -30.676 9.319 4.227 95 HA ASP 13 HA ASP 13 -30.096 7.173 5.656 96 1HB ASP 13 1HB ASP 13 -31.729 9.280 6.033 97 2HB ASP 13 2HB ASP 13 -32.973 8.085 5.724 98 H ARG 14 H ARG 14 -32.833 7.524 3.299 99 HA ARG 14 HA ARG 14 -34.170 5.253 3.716 100 1HB ARG 14 1HB ARG 14 -33.978 7.185 1.646 101 2HB ARG 14 2HB ARG 14 -33.757 5.650 0.830 102 1HG ARG 14 1HG ARG 14 -35.854 4.943 2.378 103 2HG ARG 14 2HG ARG 14 -36.153 6.670 2.346 104 1HD ARG 14 1HD ARG 14 -35.882 6.503 -0.240 105 2HD ARG 14 2HD ARG 14 -35.995 4.767 -0.028 106 HE ARG 14 HE ARG 14 -38.186 5.667 1.376 107 1HH1 ARG 14 1HH1 ARG 14 -40.455 6.422 -1.165 108 2HH1 ARG 14 2HH1 ARG 14 -40.270 6.032 0.512 109 1HH2 ARG 14 1HH2 ARG 14 -38.588 6.572 -2.535 110 2HH2 ARG 14 2HH2 ARG 14 -37.008 6.295 -1.880 111 H TYR 15 H TYR 15 -31.235 5.668 1.613 112 HA TYR 15 HA TYR 15 -31.111 2.875 1.011 113 1HB TYR 15 1HB TYR 15 -29.112 5.213 0.801 114 2HB TYR 15 2HB TYR 15 -28.937 3.687 -0.042 115 HD1 TYR 15 1HD TYR 15 -31.456 3.109 -1.255 116 HD2 TYR 15 2HD TYR 15 -29.615 6.927 -0.671 117 HE1 TYR 15 1HE TYR 15 -32.768 4.050 -3.219 118 HE2 TYR 15 2HE TYR 15 -30.932 7.855 -2.637 119 HH TYR 15 HH TYR 15 -32.969 5.738 -4.602 120 H TRP 16 H TRP 16 -29.665 5.104 3.400 121 HA TRP 16 HA TRP 16 -27.477 3.727 4.216 122 1HB TRP 16 1HB TRP 16 -28.038 5.871 5.114 123 2HB TRP 16 2HB TRP 16 -29.512 5.258 5.836 124 HD1 TRP 16 HD TRP 16 -29.181 5.062 8.411 125 HE1 TRP 16 1HE TRP 16 -27.297 4.375 10.127 126 HE3 TRP 16 3HE TRP 16 -25.608 4.125 4.916 127 HZ2 TRP 16 2HZ TRP 16 -24.585 3.535 9.836 128 HZ3 TRP 16 3HZ TRP 16 -23.369 3.375 5.716 129 HH2 TRP 16 HH TRP 16 -22.831 3.077 8.082 130 H SER 17 H SER 17 -30.831 3.356 5.596 131 HA SER 17 HA SER 17 -30.317 1.232 7.180 132 1HB SER 17 1HB SER 17 -32.554 2.658 6.454 133 2HB SER 17 2HB SER 17 -32.915 1.106 5.723 134 HG SER 17 HG SER 17 -32.369 0.157 7.898 135 H ILE 18 H ILE 18 -31.648 1.091 3.788 136 HA ILE 18 HA ILE 18 -31.701 -1.598 3.459 137 HB ILE 18 HB ILE 18 -30.938 0.536 1.463 138 1HG1 ILE 18 1HG1 ILE 18 -33.056 1.074 2.370 139 2HG1 ILE 18 2HG1 ILE 18 -33.364 0.313 0.822 140 1HG2 ILE 18 1HG2 ILE 18 -30.571 -2.122 1.062 141 2HG2 ILE 18 2HG2 ILE 18 -32.259 -1.936 0.529 142 3HG2 ILE 18 3HG2 ILE 18 -30.976 -0.956 -0.220 143 1HD1 ILE 18 1HD1 ILE 18 -33.614 -0.960 3.580 144 2HD1 ILE 18 2HD1 ILE 18 -34.914 -0.652 2.405 145 3HD1 ILE 18 3HD1 ILE 18 -33.686 -1.895 2.067 146 H THR 19 H THR 19 -28.886 0.529 2.566 147 HA THR 19 HA THR 19 -27.100 -1.362 1.846 148 HB THR 19 HB THR 19 -26.736 1.184 3.507 149 HG1 THR 19 1HG THR 19 -27.624 1.490 1.389 150 1HG2 THR 19 1HG2 THR 19 -24.423 1.205 2.603 151 2HG2 THR 19 2HG2 THR 19 -24.664 -0.246 3.607 152 3HG2 THR 19 3HG2 THR 19 -24.698 -0.376 1.832 153 H GLN 20 H GLN 20 -27.618 -0.272 5.269 154 HA GLN 20 HA GLN 20 -25.822 -1.888 6.444 155 1HB GLN 20 1HB GLN 20 -28.591 -1.038 7.376 156 2HB GLN 20 2HB GLN 20 -27.476 -1.890 8.426 157 1HG GLN 20 1HG GLN 20 -25.762 -0.091 8.038 158 2HG GLN 20 2HG GLN 20 -26.908 0.768 7.029 159 1HE2 GLN 20 1HE2 GLN 20 -25.544 1.126 9.774 160 2HE2 GLN 20 2HE2 GLN 20 -26.812 1.672 10.820 161 H ALA 21 H ALA 21 -29.094 -2.743 5.234 162 HA ALA 21 HA ALA 21 -28.798 -5.454 6.223 163 1HB ALA 21 1HB ALA 21 -30.974 -4.466 6.470 164 2HB ALA 21 2HB ALA 21 -30.996 -3.939 4.770 165 3HB ALA 21 3HB ALA 21 -31.099 -5.671 5.165 166 H ILE 22 H ILE 22 -26.683 -4.976 4.580 167 HA ILE 22 HA ILE 22 -27.248 -6.778 2.420 168 HB ILE 22 HB ILE 22 -26.451 -3.921 1.874 169 1HG1 ILE 22 1HG1 ILE 22 -28.844 -5.611 1.136 170 2HG1 ILE 22 2HG1 ILE 22 -28.814 -4.101 2.025 171 1HG2 ILE 22 1HG2 ILE 22 -25.875 -4.466 -0.320 172 2HG2 ILE 22 2HG2 ILE 22 -25.100 -5.740 0.653 173 3HG2 ILE 22 3HG2 ILE 22 -26.614 -6.081 -0.219 174 1HD1 ILE 22 1HD1 ILE 22 -27.905 -4.368 -0.876 175 2HD1 ILE 22 2HD1 ILE 22 -29.536 -3.852 -0.384 176 3HD1 ILE 22 3HD1 ILE 22 -28.122 -2.858 0.041 177 H GLU 23 H GLU 23 -24.859 -4.370 3.719 178 HA GLU 23 HA GLU 23 -22.602 -5.580 2.895 179 1HB GLU 23 1HB GLU 23 -23.365 -3.761 5.094 180 2HB GLU 23 2HB GLU 23 -21.925 -4.693 5.454 181 1HG GLU 23 1HG GLU 23 -20.911 -2.964 4.303 182 2HG GLU 23 2HG GLU 23 -21.279 -3.989 2.930 183 H TYR 24 H TYR 24 -24.882 -6.680 5.346 184 HA TYR 24 HA TYR 24 -23.177 -8.357 6.804 185 1HB TYR 24 1HB TYR 24 -26.107 -7.948 6.180 186 2HB TYR 24 2HB TYR 24 -25.703 -9.531 6.815 187 HD1 TYR 24 1HD TYR 24 -26.611 -6.236 7.674 188 HD2 TYR 24 2HD TYR 24 -24.196 -9.505 9.011 189 HE1 TYR 24 1HE TYR 24 -26.642 -5.301 10.038 190 HE2 TYR 24 2HE TYR 24 -24.235 -8.559 11.370 191 HH TYR 24 HH TYR 24 -25.177 -5.434 12.043 192 H ASN 25 H ASN 25 -25.327 -8.997 3.951 193 HA ASN 25 HA ASN 25 -24.093 -11.610 3.769 194 1HB ASN 25 1HB ASN 25 -25.909 -11.989 2.009 195 2HB ASN 25 2HB ASN 25 -26.521 -11.661 3.618 196 1HD2 ASN 25 1HD2 ASN 25 -27.369 -9.621 4.127 197 2HD2 ASN 25 2HD2 ASN 25 -27.960 -8.535 2.914 198 H LEU 26 H LEU 26 -22.112 -10.025 3.114 199 HA LEU 26 HA LEU 26 -22.035 -10.070 0.213 200 1HB LEU 26 1HB LEU 26 -22.816 -7.850 0.621 201 2HB LEU 26 2HB LEU 26 -21.614 -7.586 1.870 202 HG LEU 26 HG LEU 26 -19.986 -8.135 -0.233 203 1HD1 LEU 26 1HD1 LEU 26 -21.656 -6.335 -1.764 204 2HD1 LEU 26 2HD1 LEU 26 -20.896 -7.872 -2.241 205 3HD1 LEU 26 3HD1 LEU 26 -22.492 -7.875 -1.454 206 1HD2 LEU 26 1HD2 LEU 26 -19.907 -5.572 -0.509 207 2HD2 LEU 26 2HD2 LEU 26 -21.126 -5.542 0.788 208 3HD2 LEU 26 3HD2 LEU 26 -19.529 -6.270 1.085 209 H LYS 27 H LYS 27 -20.057 -8.749 2.963 210 HA LYS 27 HA LYS 27 -18.057 -10.784 2.324 211 1HB LYS 27 1HB LYS 27 -17.316 -8.850 1.103 212 2HB LYS 27 2HB LYS 27 -17.577 -7.799 2.480 213 1HG LYS 27 1HG LYS 27 -15.873 -9.948 3.358 214 2HG LYS 27 2HG LYS 27 -15.233 -9.366 1.834 215 1HD LYS 27 1HD LYS 27 -15.449 -6.981 2.796 216 2HD LYS 27 2HD LYS 27 -15.781 -7.727 4.346 217 1HE LYS 27 1HE LYS 27 -13.519 -7.739 4.641 218 2HE LYS 27 2HE LYS 27 -13.507 -9.106 3.545 219 1HZ LYS 27 1HZ LYS 27 -13.307 -6.309 2.668 220 2HZ LYS 27 2HZ LYS 27 -12.026 -7.298 2.883 221 3HZ LYS 27 3HZ LYS 27 -13.134 -7.637 1.732 222 H ARG 28 H ARG 28 -19.366 -11.647 4.252 223 HA ARG 28 HA ARG 28 -18.409 -10.360 6.676 224 1HB ARG 28 1HB ARG 28 -20.248 -11.641 7.824 225 2HB ARG 28 2HB ARG 28 -20.855 -10.551 6.593 226 1HG ARG 28 1HG ARG 28 -21.318 -12.314 5.068 227 2HG ARG 28 2HG ARG 28 -20.219 -13.424 5.862 228 1HD ARG 28 1HD ARG 28 -21.721 -13.668 7.775 229 2HD ARG 28 2HD ARG 28 -22.749 -12.367 7.206 230 HE ARG 28 HE ARG 28 -22.528 -14.431 5.190 231 1HH1 ARG 28 1HH1 ARG 28 -25.570 -15.948 5.980 232 2HH1 ARG 28 2HH1 ARG 28 -24.308 -15.809 4.801 233 1HH2 ARG 28 1HH2 ARG 28 -25.452 -14.734 7.954 234 2HH2 ARG 28 2HH2 ARG 28 -24.102 -13.689 8.249 235 H THR 29 H THR 29 -18.453 -12.335 8.551 236 HA THR 29 HA THR 29 -16.746 -14.448 7.405 237 HB THR 29 HB THR 29 -15.582 -12.680 8.826 238 HG1 THR 29 1HG THR 29 -15.962 -15.437 9.754 239 1HG2 THR 29 1HG2 THR 29 -17.710 -12.686 10.485 240 2HG2 THR 29 2HG2 THR 29 -16.814 -14.032 11.231 241 3HG2 THR 29 3HG2 THR 29 -16.063 -12.422 11.108 242 HA PRO 30 HA PRO 30 -20.239 -16.625 9.070 243 1HB PRO 30 1HB PRO 30 -20.361 -18.543 7.126 244 2HB PRO 30 2HB PRO 30 -21.267 -17.045 7.052 245 1HG PRO 30 1HG PRO 30 -18.843 -17.821 5.549 246 2HG PRO 30 2HG PRO 30 -19.990 -16.543 5.198 247 1HD PRO 30 1HD PRO 30 -17.376 -16.237 6.338 248 2HD PRO 30 2HD PRO 30 -18.567 -14.976 6.095 249 H ARG 31 H ARG 31 -20.545 -18.717 10.074 250 HA ARG 31 HA ARG 31 -17.901 -19.778 10.627 251 1HB ARG 31 1HB ARG 31 -19.781 -18.918 12.406 252 2HB ARG 31 2HB ARG 31 -20.287 -20.591 12.274 253 1HG ARG 31 1HG ARG 31 -17.494 -20.783 12.509 254 2HG ARG 31 2HG ARG 31 -17.896 -19.456 13.581 255 1HD ARG 31 1HD ARG 31 -19.872 -21.205 14.292 256 2HD ARG 31 2HD ARG 31 -18.651 -22.353 13.778 257 HE ARG 31 HE ARG 31 -17.627 -20.250 15.558 258 1HH1 ARG 31 1HH1 ARG 31 -17.233 -22.474 18.218 259 2HH1 ARG 31 2HH1 ARG 31 -16.866 -20.893 17.614 260 1HH2 ARG 31 1HH2 ARG 31 -18.498 -23.940 16.938 261 2HH2 ARG 31 2HH2 ARG 31 -19.074 -23.453 15.379 262 H ARG 32 H ARG 32 -17.398 -21.898 10.053 263 HA ARG 32 HA ARG 32 -19.635 -23.611 9.377 264 1HB ARG 32 1HB ARG 32 -18.291 -22.405 7.361 265 2HB ARG 32 2HB ARG 32 -17.176 -23.731 7.629 266 1HG ARG 32 1HG ARG 32 -18.803 -25.384 7.094 267 2HG ARG 32 2HG ARG 32 -20.146 -24.292 7.371 268 1HD ARG 32 1HD ARG 32 -19.869 -23.194 5.302 269 2HD ARG 32 2HD ARG 32 -18.169 -23.604 5.189 270 HE ARG 32 HE ARG 32 -19.318 -26.080 5.072 271 1HH1 ARG 32 1HH1 ARG 32 -20.676 -26.214 1.860 272 2HH1 ARG 32 2HH1 ARG 32 -20.105 -27.141 3.208 273 1HH2 ARG 32 1HH2 ARG 32 -20.640 -23.895 1.949 274 2HH2 ARG 32 2HH2 ARG 32 -20.043 -23.092 3.362 Start of MODEL 14 1 H THR 1 H THR 1 -33.015 27.755 4.965 2 HA THR 1 HA THR 1 -30.820 27.047 3.129 3 HB THR 1 HB THR 1 -30.999 28.997 5.479 4 HG1 THR 1 1HG THR 1 -31.066 30.356 3.727 5 1HG2 THR 1 1HG2 THR 1 -28.746 27.498 5.013 6 2HG2 THR 1 2HG2 THR 1 -28.521 28.787 3.806 7 3HG2 THR 1 3HG2 THR 1 -28.689 29.200 5.529 8 H SER 2 H SER 2 -31.770 26.987 6.633 9 HA SER 2 HA SER 2 -29.985 24.770 6.983 10 1HB SER 2 1HB SER 2 -30.362 25.046 9.323 11 2HB SER 2 2HB SER 2 -30.323 26.671 8.667 12 HG SER 2 HG SER 2 -32.128 26.624 9.983 13 H SER 3 H SER 3 -33.255 25.311 6.062 14 HA SER 3 HA SER 3 -34.167 22.824 7.198 15 1HB SER 3 1HB SER 3 -35.404 25.275 6.144 16 2HB SER 3 2HB SER 3 -36.182 23.836 5.515 17 HG SER 3 HG SER 3 -37.232 23.882 7.390 18 H ILE 4 H ILE 4 -31.998 22.714 5.246 19 HA ILE 4 HA ILE 4 -33.399 21.227 3.146 20 HB ILE 4 HB ILE 4 -31.087 23.132 2.765 21 1HG1 ILE 4 1HG1 ILE 4 -33.555 23.440 1.178 22 2HG1 ILE 4 2HG1 ILE 4 -33.760 23.735 2.893 23 1HG2 ILE 4 1HG2 ILE 4 -32.408 21.821 0.449 24 2HG2 ILE 4 2HG2 ILE 4 -30.716 22.321 0.683 25 3HG2 ILE 4 3HG2 ILE 4 -31.311 20.819 1.430 26 1HD1 ILE 4 1HD1 ILE 4 -33.104 25.792 1.593 27 2HD1 ILE 4 2HD1 ILE 4 -31.959 25.392 2.895 28 3HD1 ILE 4 3HD1 ILE 4 -31.555 25.004 1.206 29 H VAL 5 H VAL 5 -30.095 21.930 4.499 30 HA VAL 5 HA VAL 5 -28.811 19.686 3.798 31 HB VAL 5 HB VAL 5 -28.764 21.237 6.384 32 1HG1 VAL 5 1HG1 VAL 5 -26.283 19.965 6.092 33 2HG1 VAL 5 2HG1 VAL 5 -27.533 19.621 7.312 34 3HG1 VAL 5 3HG1 VAL 5 -27.492 18.693 5.794 35 1HG2 VAL 5 1HG2 VAL 5 -27.905 21.860 3.806 36 2HG2 VAL 5 2HG2 VAL 5 -27.424 22.674 5.314 37 3HG2 VAL 5 3HG2 VAL 5 -26.421 21.361 4.652 38 H HIS 6 H HIS 6 -30.732 20.004 6.875 39 HA HIS 6 HA HIS 6 -30.524 17.513 7.809 40 1HB HIS 6 1HB HIS 6 -31.908 19.589 8.592 41 2HB HIS 6 2HB HIS 6 -33.232 18.822 7.738 42 HD1 HIS 6 1HD HIS 6 -30.561 17.431 10.135 43 HD2 HIS 6 2HD HIS 6 -34.717 17.468 9.570 44 HE1 HIS 6 1HE HIS 6 -31.549 16.005 12.006 45 HE2 HIS 6 2HE HIS 6 -34.108 16.110 11.638 46 H LEU 7 H LEU 7 -33.172 18.531 5.526 47 HA LEU 7 HA LEU 7 -34.186 16.019 5.085 48 1HB LEU 7 1HB LEU 7 -34.903 18.443 4.352 49 2HB LEU 7 2HB LEU 7 -34.066 18.023 2.871 50 HG LEU 7 HG LEU 7 -36.021 16.020 3.867 51 1HD1 LEU 7 1HD1 LEU 7 -36.814 18.793 3.004 52 2HD1 LEU 7 2HD1 LEU 7 -37.868 17.392 2.696 53 3HD1 LEU 7 3HD1 LEU 7 -37.416 17.816 4.364 54 1HD2 LEU 7 1HD2 LEU 7 -36.450 15.677 1.548 55 2HD2 LEU 7 2HD2 LEU 7 -35.627 17.192 1.105 56 3HD2 LEU 7 3HD2 LEU 7 -34.687 15.824 1.748 57 H CYS 8 H CYS 8 -31.349 17.651 3.617 58 HA CYS 8 HA CYS 8 -30.950 15.730 1.616 59 1HB CYS 8 1HB CYS 8 -29.859 18.179 2.216 60 2HB CYS 8 2HB CYS 8 -28.542 17.102 2.636 61 HG CYS 8 HG CYS 8 -30.313 16.623 -0.093 62 H ALA 9 H ALA 9 -30.267 15.923 5.084 63 HA ALA 9 HA ALA 9 -28.442 13.662 4.950 64 1HB ALA 9 1HB ALA 9 -27.863 15.558 6.391 65 2HB ALA 9 2HB ALA 9 -29.414 15.405 7.251 66 3HB ALA 9 3HB ALA 9 -28.192 14.118 7.383 67 H ILE 10 H ILE 10 -30.801 12.831 3.917 68 HA ILE 10 HA ILE 10 -31.709 11.019 5.974 69 HB ILE 10 HB ILE 10 -33.477 13.089 4.707 70 1HG1 ILE 10 1HG1 ILE 10 -33.073 12.116 7.550 71 2HG1 ILE 10 2HG1 ILE 10 -32.532 13.641 6.877 72 1HG2 ILE 10 1HG2 ILE 10 -34.140 10.277 5.361 73 2HG2 ILE 10 2HG2 ILE 10 -35.270 11.513 5.963 74 3HG2 ILE 10 3HG2 ILE 10 -34.906 11.411 4.224 75 1HD1 ILE 10 1HD1 ILE 10 -34.519 14.349 7.840 76 2HD1 ILE 10 2HD1 ILE 10 -35.140 13.875 6.240 77 3HD1 ILE 10 3HD1 ILE 10 -35.308 12.768 7.624 78 H SER 11 H SER 11 -32.097 12.246 2.589 79 HA SER 11 HA SER 11 -33.187 10.129 1.412 80 1HB SER 11 1HB SER 11 -32.605 12.122 0.158 81 2HB SER 11 2HB SER 11 -30.893 11.875 0.435 82 HG SER 11 HG SER 11 -32.623 10.133 -1.107 83 H LEU 12 H LEU 12 -29.718 10.502 2.355 84 HA LEU 12 HA LEU 12 -28.835 8.112 1.198 85 1HB LEU 12 1HB LEU 12 -26.916 8.389 2.753 86 2HB LEU 12 2HB LEU 12 -27.260 9.771 1.731 87 HG LEU 12 HG LEU 12 -28.688 10.382 4.006 88 1HD1 LEU 12 1HD1 LEU 12 -26.087 9.561 5.186 89 2HD1 LEU 12 2HD1 LEU 12 -27.702 9.686 5.923 90 3HD1 LEU 12 3HD1 LEU 12 -27.293 8.281 4.910 91 1HD2 LEU 12 1HD2 LEU 12 -27.382 12.223 4.037 92 2HD2 LEU 12 2HD2 LEU 12 -25.867 11.290 3.969 93 3HD2 LEU 12 3HD2 LEU 12 -26.808 11.569 2.483 94 H ASP 13 H ASP 13 -29.814 8.896 4.608 95 HA ASP 13 HA ASP 13 -29.424 6.561 5.782 96 1HB ASP 13 1HB ASP 13 -30.465 8.548 6.857 97 2HB ASP 13 2HB ASP 13 -31.951 8.267 5.973 98 H ARG 14 H ARG 14 -32.125 7.452 3.554 99 HA ARG 14 HA ARG 14 -33.704 5.264 3.909 100 1HB ARG 14 1HB ARG 14 -34.089 7.396 2.474 101 2HB ARG 14 2HB ARG 14 -33.211 6.577 1.197 102 1HG ARG 14 1HG ARG 14 -34.864 4.628 1.448 103 2HG ARG 14 2HG ARG 14 -35.798 5.650 2.523 104 1HD ARG 14 1HD ARG 14 -35.152 7.139 0.104 105 2HD ARG 14 2HD ARG 14 -35.870 5.603 -0.337 106 HE ARG 14 HE ARG 14 -37.298 6.979 1.825 107 1HH1 ARG 14 1HH1 ARG 14 -39.983 7.809 -0.244 108 2HH1 ARG 14 2HH1 ARG 14 -39.415 7.720 1.390 109 1HH2 ARG 14 1HH2 ARG 14 -38.593 7.174 -1.991 110 2HH2 ARG 14 2HH2 ARG 14 -36.988 6.612 -1.661 111 H TYR 15 H TYR 15 -30.863 5.752 1.723 112 HA TYR 15 HA TYR 15 -31.095 3.105 0.627 113 1HB TYR 15 1HB TYR 15 -28.981 5.349 0.612 114 2HB TYR 15 2HB TYR 15 -28.844 3.909 -0.377 115 HD1 TYR 15 1HD TYR 15 -31.153 3.434 -1.791 116 HD2 TYR 15 2HD TYR 15 -29.733 7.248 -0.471 117 HE1 TYR 15 1HE TYR 15 -32.492 4.575 -3.626 118 HE2 TYR 15 2HE TYR 15 -31.077 8.377 -2.311 119 HH TYR 15 HH TYR 15 -32.615 8.106 -3.837 120 H TRP 16 H TRP 16 -29.302 4.756 3.232 121 HA TRP 16 HA TRP 16 -27.184 3.132 3.637 122 1HB TRP 16 1HB TRP 16 -27.335 4.946 5.047 123 2HB TRP 16 2HB TRP 16 -29.001 4.624 5.482 124 HD1 TRP 16 HD TRP 16 -29.306 3.511 7.831 125 HE1 TRP 16 1HE TRP 16 -27.837 2.241 9.618 126 HE3 TRP 16 3HE TRP 16 -25.107 3.266 4.975 127 HZ2 TRP 16 2HZ TRP 16 -25.143 1.298 9.636 128 HZ3 TRP 16 3HZ TRP 16 -23.101 2.154 5.952 129 HH2 TRP 16 HH TRP 16 -23.074 1.190 8.198 130 H SER 17 H SER 17 -30.396 2.667 5.295 131 HA SER 17 HA SER 17 -30.006 0.301 6.394 132 1HB SER 17 1HB SER 17 -32.299 1.802 5.445 133 2HB SER 17 2HB SER 17 -32.587 0.095 5.174 134 HG SER 17 HG SER 17 -32.681 -0.280 7.304 135 H ILE 18 H ILE 18 -31.194 0.753 2.980 136 HA ILE 18 HA ILE 18 -31.362 -1.848 2.226 137 HB ILE 18 HB ILE 18 -30.407 0.532 0.632 138 1HG1 ILE 18 1HG1 ILE 18 -32.562 0.964 1.591 139 2HG1 ILE 18 2HG1 ILE 18 -32.774 0.620 -0.115 140 1HG2 ILE 18 1HG2 ILE 18 -31.796 -1.586 -0.825 141 2HG2 ILE 18 2HG2 ILE 18 -30.302 -0.704 -1.221 142 3HG2 ILE 18 3HG2 ILE 18 -30.242 -2.116 -0.139 143 1HD1 ILE 18 1HD1 ILE 18 -33.281 -1.803 0.527 144 2HD1 ILE 18 2HD1 ILE 18 -33.304 -1.262 2.222 145 3HD1 ILE 18 3HD1 ILE 18 -34.486 -0.608 1.063 146 H THR 19 H THR 19 -28.406 0.250 1.946 147 HA THR 19 HA THR 19 -26.700 -1.705 1.010 148 HB THR 19 HB THR 19 -26.343 0.801 2.716 149 HG1 THR 19 1HG THR 19 -25.401 1.320 0.488 150 1HG2 THR 19 1HG2 THR 19 -24.235 -0.061 3.184 151 2HG2 THR 19 2HG2 THR 19 -24.330 -1.262 1.874 152 3HG2 THR 19 3HG2 THR 19 -23.918 0.429 1.503 153 H GLN 20 H GLN 20 -27.282 -0.764 4.465 154 HA GLN 20 HA GLN 20 -25.576 -2.582 5.554 155 1HB GLN 20 1HB GLN 20 -26.746 -0.766 6.795 156 2HB GLN 20 2HB GLN 20 -28.258 -1.642 6.663 157 1HG GLN 20 1HG GLN 20 -27.461 -2.230 8.820 158 2HG GLN 20 2HG GLN 20 -27.036 -3.615 7.833 159 1HE2 GLN 20 1HE2 GLN 20 -25.826 -2.873 10.273 160 2HE2 GLN 20 2HE2 GLN 20 -24.155 -2.509 9.992 161 H ALA 21 H ALA 21 -29.143 -2.989 4.958 162 HA ALA 21 HA ALA 21 -29.534 -5.485 5.859 163 1HB ALA 21 1HB ALA 21 -31.492 -5.285 4.739 164 2HB ALA 21 2HB ALA 21 -30.892 -3.677 4.269 165 3HB ALA 21 3HB ALA 21 -30.677 -5.062 3.172 166 H ILE 22 H ILE 22 -27.656 -4.500 2.996 167 HA ILE 22 HA ILE 22 -27.413 -7.219 2.078 168 HB ILE 22 HB ILE 22 -26.169 -4.624 1.167 169 1HG1 ILE 22 1HG1 ILE 22 -28.150 -6.162 -0.451 170 2HG1 ILE 22 2HG1 ILE 22 -28.756 -5.284 0.940 171 1HG2 ILE 22 1HG2 ILE 22 -25.207 -5.727 -0.658 172 2HG2 ILE 22 2HG2 ILE 22 -24.830 -6.769 0.735 173 3HG2 ILE 22 3HG2 ILE 22 -26.146 -7.213 -0.378 174 1HD1 ILE 22 1HD1 ILE 22 -28.660 -4.017 -1.321 175 2HD1 ILE 22 2HD1 ILE 22 -27.998 -3.183 0.105 176 3HD1 ILE 22 3HD1 ILE 22 -26.899 -3.952 -1.065 177 H GLU 23 H GLU 23 -25.374 -4.711 3.693 178 HA GLU 23 HA GLU 23 -23.044 -6.140 3.721 179 1HB GLU 23 1HB GLU 23 -24.212 -4.048 5.578 180 2HB GLU 23 2HB GLU 23 -22.645 -4.754 5.918 181 1HG GLU 23 1HG GLU 23 -23.362 -3.479 3.237 182 2HG GLU 23 2HG GLU 23 -22.590 -2.602 4.543 183 H TYR 24 H TYR 24 -26.009 -6.585 5.573 184 HA TYR 24 HA TYR 24 -24.996 -7.927 7.790 185 1HB TYR 24 1HB TYR 24 -27.526 -7.660 6.166 186 2HB TYR 24 2HB TYR 24 -27.464 -9.088 7.180 187 HD1 TYR 24 1HD TYR 24 -27.958 -5.505 7.090 188 HD2 TYR 24 2HD TYR 24 -27.167 -8.816 9.681 189 HE1 TYR 24 1HE TYR 24 -28.693 -4.123 9.094 190 HE2 TYR 24 2HE TYR 24 -27.905 -7.423 11.675 191 HH TYR 24 HH TYR 24 -28.796 -4.018 11.264 192 H ASN 25 H ASN 25 -25.994 -9.133 4.528 193 HA ASN 25 HA ASN 25 -24.511 -11.549 5.177 194 1HB ASN 25 1HB ASN 25 -27.372 -11.287 4.475 195 2HB ASN 25 2HB ASN 25 -26.531 -12.356 3.370 196 1HD2 ASN 25 1HD2 ASN 25 -26.793 -11.615 6.840 197 2HD2 ASN 25 2HD2 ASN 25 -26.732 -13.245 7.422 198 H LEU 26 H LEU 26 -22.795 -10.423 3.886 199 HA LEU 26 HA LEU 26 -23.420 -10.429 1.014 200 1HB LEU 26 1HB LEU 26 -23.106 -8.194 1.493 201 2HB LEU 26 2HB LEU 26 -21.880 -8.504 2.706 202 HG LEU 26 HG LEU 26 -20.982 -9.408 0.098 203 1HD1 LEU 26 1HD1 LEU 26 -20.898 -7.361 -1.109 204 2HD1 LEU 26 2HD1 LEU 26 -22.592 -7.612 -0.623 205 3HD1 LEU 26 3HD1 LEU 26 -21.577 -6.446 0.259 206 1HD2 LEU 26 1HD2 LEU 26 -19.308 -7.394 0.830 207 2HD2 LEU 26 2HD2 LEU 26 -20.015 -7.839 2.402 208 3HD2 LEU 26 3HD2 LEU 26 -19.194 -9.072 1.415 209 H LYS 27 H LYS 27 -20.550 -10.488 3.251 210 HA LYS 27 HA LYS 27 -19.630 -12.818 1.717 211 1HB LYS 27 1HB LYS 27 -18.323 -10.889 1.045 212 2HB LYS 27 2HB LYS 27 -17.997 -10.467 2.714 213 1HG LYS 27 1HG LYS 27 -17.188 -13.156 2.553 214 2HG LYS 27 2HG LYS 27 -16.695 -12.491 1.009 215 1HD LYS 27 1HD LYS 27 -15.400 -10.728 2.089 216 2HD LYS 27 2HD LYS 27 -16.061 -11.126 3.662 217 1HE LYS 27 1HE LYS 27 -14.716 -13.009 3.917 218 2HE LYS 27 2HE LYS 27 -14.681 -13.356 2.200 219 1HZ LYS 27 1HZ LYS 27 -12.974 -11.639 3.735 220 2HZ LYS 27 2HZ LYS 27 -12.650 -12.491 2.380 221 3HZ LYS 27 3HZ LYS 27 -13.402 -11.045 2.276 222 H ARG 28 H ARG 28 -20.819 -14.059 3.374 223 HA ARG 28 HA ARG 28 -19.840 -13.792 6.042 224 1HB ARG 28 1HB ARG 28 -22.166 -14.901 4.763 225 2HB ARG 28 2HB ARG 28 -21.394 -16.215 5.628 226 1HG ARG 28 1HG ARG 28 -21.329 -14.777 7.699 227 2HG ARG 28 2HG ARG 28 -22.168 -13.511 6.824 228 1HD ARG 28 1HD ARG 28 -24.071 -14.505 7.623 229 2HD ARG 28 2HD ARG 28 -23.832 -15.652 6.320 230 HE ARG 28 HE ARG 28 -22.245 -16.545 8.495 231 1HH1 ARG 28 1HH1 ARG 28 -24.645 -18.538 10.058 232 2HH1 ARG 28 2HH1 ARG 28 -22.954 -18.195 9.908 233 1HH2 ARG 28 1HH2 ARG 28 -26.190 -17.323 8.824 234 2HH2 ARG 28 2HH2 ARG 28 -25.652 -16.073 7.753 235 H THR 29 H THR 29 -19.233 -16.001 7.216 236 HA THR 29 HA THR 29 -17.756 -17.644 7.460 237 HB THR 29 HB THR 29 -18.650 -18.128 4.577 238 HG1 THR 29 1HG THR 29 -20.256 -19.044 5.790 239 1HG2 THR 29 1HG2 THR 29 -17.202 -19.886 4.405 240 2HG2 THR 29 2HG2 THR 29 -16.386 -19.307 5.877 241 3HG2 THR 29 3HG2 THR 29 -17.711 -20.489 6.001 242 HA PRO 30 HA PRO 30 -14.482 -15.143 5.588 243 1HB PRO 30 1HB PRO 30 -13.508 -13.994 7.868 244 2HB PRO 30 2HB PRO 30 -14.663 -13.203 6.814 245 1HG PRO 30 1HG PRO 30 -15.118 -14.463 9.449 246 2HG PRO 30 2HG PRO 30 -16.130 -13.319 8.590 247 1HD PRO 30 1HD PRO 30 -16.556 -16.146 8.829 248 2HD PRO 30 2HD PRO 30 -17.502 -15.020 7.875 249 H ARG 31 H ARG 31 -12.015 -15.013 6.338 250 HA ARG 31 HA ARG 31 -11.513 -17.772 7.104 251 1HB ARG 31 1HB ARG 31 -10.458 -16.070 4.999 252 2HB ARG 31 2HB ARG 31 -9.137 -16.527 6.056 253 1HG ARG 31 1HG ARG 31 -9.508 -18.870 5.707 254 2HG ARG 31 2HG ARG 31 -11.114 -18.609 5.058 255 1HD ARG 31 1HD ARG 31 -8.691 -17.431 3.652 256 2HD ARG 31 2HD ARG 31 -9.131 -19.108 3.396 257 HE ARG 31 HE ARG 31 -11.365 -17.221 3.080 258 1HH1 ARG 31 1HH1 ARG 31 -11.475 -17.700 -0.375 259 2HH1 ARG 31 2HH1 ARG 31 -12.294 -17.038 1.000 260 1HH2 ARG 31 1HH2 ARG 31 -9.434 -18.772 -0.106 261 2HH2 ARG 31 2HH2 ARG 31 -8.731 -18.910 1.471 262 H ARG 32 H ARG 32 -11.545 -17.392 9.412 263 HA ARG 32 HA ARG 32 -9.767 -15.372 10.404 264 1HB ARG 32 1HB ARG 32 -12.004 -17.017 11.471 265 2HB ARG 32 2HB ARG 32 -10.707 -16.776 12.623 266 1HG ARG 32 1HG ARG 32 -10.828 -14.262 12.032 267 2HG ARG 32 2HG ARG 32 -12.313 -14.627 11.176 268 1HD ARG 32 1HD ARG 32 -13.321 -15.538 13.259 269 2HD ARG 32 2HD ARG 32 -11.824 -15.261 14.127 270 HE ARG 32 HE ARG 32 -12.482 -12.771 13.019 271 1HH1 ARG 32 1HH1 ARG 32 -14.688 -11.602 15.457 272 2HH1 ARG 32 2HH1 ARG 32 -13.645 -11.160 14.147 273 1HH2 ARG 32 1HH2 ARG 32 -14.904 -13.831 16.067 274 2HH2 ARG 32 2HH2 ARG 32 -14.022 -15.052 15.211 Start of MODEL 15 1 H THR 1 H THR 1 -31.770 28.095 5.083 2 HA THR 1 HA THR 1 -29.407 26.619 4.385 3 HB THR 1 HB THR 1 -30.197 28.469 6.693 4 HG1 THR 1 1HG THR 1 -29.917 29.142 4.321 5 1HG2 THR 1 1HG2 THR 1 -27.646 26.965 6.063 6 2HG2 THR 1 2HG2 THR 1 -27.520 28.642 6.647 7 3HG2 THR 1 3HG2 THR 1 -28.323 27.409 7.648 8 H SER 2 H SER 2 -31.644 26.611 7.245 9 HA SER 2 HA SER 2 -30.455 24.139 8.065 10 1HB SER 2 1HB SER 2 -32.611 25.947 9.207 11 2HB SER 2 2HB SER 2 -32.305 24.365 9.895 12 HG SER 2 HG SER 2 -30.249 26.372 9.527 13 H SER 3 H SER 3 -32.993 25.192 5.987 14 HA SER 3 HA SER 3 -34.542 22.794 6.424 15 1HB SER 3 1HB SER 3 -35.296 25.363 5.832 16 2HB SER 3 2HB SER 3 -35.272 24.673 4.222 17 HG SER 3 HG SER 3 -37.359 24.444 5.273 18 H ILE 4 H ILE 4 -31.742 22.783 5.291 19 HA ILE 4 HA ILE 4 -32.413 21.565 2.703 20 HB ILE 4 HB ILE 4 -30.183 23.424 3.450 21 1HG1 ILE 4 1HG1 ILE 4 -31.584 23.406 0.813 22 2HG1 ILE 4 2HG1 ILE 4 -32.502 23.928 2.212 23 1HG2 ILE 4 1HG2 ILE 4 -29.044 22.776 1.332 24 2HG2 ILE 4 2HG2 ILE 4 -29.008 21.515 2.588 25 3HG2 ILE 4 3HG2 ILE 4 -30.137 21.375 1.219 26 1HD1 ILE 4 1HD1 ILE 4 -30.552 25.497 2.778 27 2HD1 ILE 4 2HD1 ILE 4 -29.885 25.095 1.177 28 3HD1 ILE 4 3HD1 ILE 4 -31.466 25.903 1.306 29 H VAL 5 H VAL 5 -29.747 21.743 5.174 30 HA VAL 5 HA VAL 5 -28.562 19.372 4.691 31 HB VAL 5 HB VAL 5 -29.148 20.748 7.314 32 1HG1 VAL 5 1HG1 VAL 5 -28.584 18.264 7.515 33 2HG1 VAL 5 2HG1 VAL 5 -26.979 18.685 6.870 34 3HG1 VAL 5 3HG1 VAL 5 -27.537 19.398 8.402 35 1HG2 VAL 5 1HG2 VAL 5 -26.414 20.735 6.204 36 2HG2 VAL 5 2HG2 VAL 5 -27.614 21.595 5.209 37 3HG2 VAL 5 3HG2 VAL 5 -27.365 22.066 6.907 38 H HIS 6 H HIS 6 -31.303 19.845 7.039 39 HA HIS 6 HA HIS 6 -31.701 17.324 7.811 40 1HB HIS 6 1HB HIS 6 -32.991 19.366 8.476 41 2HB HIS 6 2HB HIS 6 -33.924 19.216 6.999 42 HD1 HIS 6 1HD HIS 6 -33.253 17.350 10.253 43 HD2 HIS 6 2HD HIS 6 -36.025 17.410 7.105 44 HE1 HIS 6 1HE HIS 6 -35.168 15.817 10.957 45 HE2 HIS 6 2HE HIS 6 -36.865 15.937 9.007 46 H LEU 7 H LEU 7 -32.710 18.756 4.660 47 HA LEU 7 HA LEU 7 -34.145 16.552 3.751 48 1HB LEU 7 1HB LEU 7 -33.958 18.972 2.872 49 2HB LEU 7 2HB LEU 7 -32.566 18.394 1.978 50 HG LEU 7 HG LEU 7 -34.457 16.506 1.332 51 1HD1 LEU 7 1HD1 LEU 7 -36.487 17.777 0.678 52 2HD1 LEU 7 2HD1 LEU 7 -36.263 17.651 2.439 53 3HD1 LEU 7 3HD1 LEU 7 -35.872 19.171 1.599 54 1HD2 LEU 7 1HD2 LEU 7 -34.284 17.323 -0.829 55 2HD2 LEU 7 2HD2 LEU 7 -34.202 19.020 -0.296 56 3HD2 LEU 7 3HD2 LEU 7 -32.803 17.944 -0.061 57 H CYS 8 H CYS 8 -30.799 17.533 2.717 58 HA CYS 8 HA CYS 8 -30.172 15.215 1.449 59 1HB CYS 8 1HB CYS 8 -28.849 17.544 1.997 60 2HB CYS 8 2HB CYS 8 -27.940 16.415 2.981 61 HG CYS 8 HG CYS 8 -26.860 16.820 0.555 62 H ALA 9 H ALA 9 -30.413 15.940 4.913 63 HA ALA 9 HA ALA 9 -28.871 13.819 5.890 64 1HB ALA 9 1HB ALA 9 -29.328 15.085 7.694 65 2HB ALA 9 2HB ALA 9 -30.702 15.865 6.873 66 3HB ALA 9 3HB ALA 9 -30.936 14.322 7.730 67 H ILE 10 H ILE 10 -32.282 14.094 4.804 68 HA ILE 10 HA ILE 10 -32.893 11.429 5.673 69 HB ILE 10 HB ILE 10 -34.375 13.511 4.077 70 1HG1 ILE 10 1HG1 ILE 10 -35.305 12.449 6.704 71 2HG1 ILE 10 2HG1 ILE 10 -33.901 13.497 6.718 72 1HG2 ILE 10 1HG2 ILE 10 -36.275 12.115 3.962 73 2HG2 ILE 10 2HG2 ILE 10 -34.912 11.128 3.384 74 3HG2 ILE 10 3HG2 ILE 10 -35.545 10.894 5.031 75 1HD1 ILE 10 1HD1 ILE 10 -36.301 14.563 6.882 76 2HD1 ILE 10 2HD1 ILE 10 -35.084 15.336 5.838 77 3HD1 ILE 10 3HD1 ILE 10 -36.344 14.304 5.121 78 H SER 11 H SER 11 -32.459 13.111 2.484 79 HA SER 11 HA SER 11 -32.866 11.096 0.812 80 1HB SER 11 1HB SER 11 -30.625 13.159 0.745 81 2HB SER 11 2HB SER 11 -31.000 12.122 -0.617 82 HG SER 11 HG SER 11 -32.690 14.116 0.612 83 H LEU 12 H LEU 12 -29.938 11.619 2.846 84 HA LEU 12 HA LEU 12 -28.784 9.157 1.801 85 1HB LEU 12 1HB LEU 12 -27.636 11.185 3.724 86 2HB LEU 12 2HB LEU 12 -26.784 9.835 2.999 87 HG LEU 12 HG LEU 12 -27.963 12.156 1.446 88 1HD1 LEU 12 1HD1 LEU 12 -26.191 13.006 2.817 89 2HD1 LEU 12 2HD1 LEU 12 -25.126 11.650 2.376 90 3HD1 LEU 12 3HD1 LEU 12 -25.585 12.856 1.150 91 1HD2 LEU 12 1HD2 LEU 12 -27.476 11.075 -0.435 92 2HD2 LEU 12 2HD2 LEU 12 -25.853 10.635 0.150 93 3HD2 LEU 12 3HD2 LEU 12 -27.253 9.614 0.558 94 H ASP 13 H ASP 13 -30.977 8.300 2.909 95 HA ASP 13 HA ASP 13 -30.031 7.162 5.378 96 1HB ASP 13 1HB ASP 13 -31.495 9.232 5.870 97 2HB ASP 13 2HB ASP 13 -32.834 8.348 5.166 98 H ARG 14 H ARG 14 -32.740 7.494 2.974 99 HA ARG 14 HA ARG 14 -34.078 5.235 3.372 100 1HB ARG 14 1HB ARG 14 -34.495 7.013 1.591 101 2HB ARG 14 2HB ARG 14 -33.264 6.251 0.604 102 1HG ARG 14 1HG ARG 14 -35.044 4.168 1.465 103 2HG ARG 14 2HG ARG 14 -36.046 5.500 0.923 104 1HD ARG 14 1HD ARG 14 -33.749 4.994 -0.877 105 2HD ARG 14 2HD ARG 14 -34.812 3.609 -0.731 106 HE ARG 14 HE ARG 14 -35.433 6.139 -2.034 107 1HH1 ARG 14 1HH1 ARG 14 -38.775 5.307 -2.594 108 2HH1 ARG 14 2HH1 ARG 14 -37.488 6.393 -3.000 109 1HH2 ARG 14 1HH2 ARG 14 -38.413 3.595 -1.069 110 2HH2 ARG 14 2HH2 ARG 14 -36.855 3.403 -0.337 111 H TYR 15 H TYR 15 -30.934 5.613 1.653 112 HA TYR 15 HA TYR 15 -30.848 2.832 0.920 113 1HB TYR 15 1HB TYR 15 -28.552 4.854 1.017 114 2HB TYR 15 2HB TYR 15 -28.795 3.578 -0.159 115 HD1 TYR 15 1HD TYR 15 -28.718 6.969 0.099 116 HD2 TYR 15 2HD TYR 15 -31.335 3.901 -1.330 117 HE1 TYR 15 1HE TYR 15 -29.810 8.629 -1.487 118 HE2 TYR 15 2HE TYR 15 -32.418 5.572 -2.911 119 HH TYR 15 HH TYR 15 -31.032 8.559 -3.602 120 H TRP 16 H TRP 16 -29.527 4.979 3.467 121 HA TRP 16 HA TRP 16 -27.486 3.520 4.461 122 1HB TRP 16 1HB TRP 16 -28.085 5.656 5.358 123 2HB TRP 16 2HB TRP 16 -29.630 5.057 5.928 124 HD1 TRP 16 HD TRP 16 -29.525 4.829 8.521 125 HE1 TRP 16 1HE TRP 16 -27.823 4.044 10.378 126 HE3 TRP 16 3HE TRP 16 -25.700 3.810 5.329 127 HZ2 TRP 16 2HZ TRP 16 -25.129 3.106 10.307 128 HZ3 TRP 16 3HZ TRP 16 -23.568 2.963 6.305 129 HH2 TRP 16 HH TRP 16 -23.248 2.609 8.702 130 H SER 17 H SER 17 -30.984 3.175 5.424 131 HA SER 17 HA SER 17 -30.715 1.044 7.047 132 1HB SER 17 1HB SER 17 -32.816 2.406 6.451 133 2HB SER 17 2HB SER 17 -33.008 1.348 5.068 134 HG SER 17 HG SER 17 -32.599 0.025 7.529 135 H ILE 18 H ILE 18 -31.630 0.857 3.521 136 HA ILE 18 HA ILE 18 -31.565 -1.830 3.211 137 HB ILE 18 HB ILE 18 -30.713 0.364 1.327 138 1HG1 ILE 18 1HG1 ILE 18 -33.285 -1.211 1.278 139 2HG1 ILE 18 2HG1 ILE 18 -33.105 0.192 2.314 140 1HG2 ILE 18 1HG2 ILE 18 -30.307 -2.439 1.025 141 2HG2 ILE 18 2HG2 ILE 18 -31.614 -1.947 -0.078 142 3HG2 ILE 18 3HG2 ILE 18 -30.031 -1.135 -0.155 143 1HD1 ILE 18 1HD1 ILE 18 -34.088 0.700 0.033 144 2HD1 ILE 18 2HD1 ILE 18 -32.624 1.637 0.415 145 3HD1 ILE 18 3HD1 ILE 18 -32.525 0.239 -0.682 146 H THR 19 H THR 19 -28.728 0.387 2.691 147 HA THR 19 HA THR 19 -26.820 -1.472 2.174 148 HB THR 19 HB THR 19 -26.796 1.156 3.726 149 HG1 THR 19 1HG THR 19 -27.087 1.457 1.507 150 1HG2 THR 19 1HG2 THR 19 -24.256 0.975 2.865 151 2HG2 THR 19 2HG2 THR 19 -24.712 0.356 4.470 152 3HG2 THR 19 3HG2 THR 19 -24.544 -0.766 3.098 153 H GLN 20 H GLN 20 -28.212 -0.647 5.377 154 HA GLN 20 HA GLN 20 -26.365 -2.377 6.680 155 1HB GLN 20 1HB GLN 20 -27.649 -0.229 7.570 156 2HB GLN 20 2HB GLN 20 -28.915 -1.376 7.957 157 1HG GLN 20 1HG GLN 20 -27.570 -2.552 9.510 158 2HG GLN 20 2HG GLN 20 -26.072 -1.993 8.793 159 1HE2 GLN 20 1HE2 GLN 20 -25.081 -0.965 10.381 160 2HE2 GLN 20 2HE2 GLN 20 -25.708 0.362 11.299 161 H ALA 21 H ALA 21 -27.306 -4.007 4.803 162 HA ALA 21 HA ALA 21 -28.342 -6.162 6.111 163 1HB ALA 21 1HB ALA 21 -30.436 -5.225 6.554 164 2HB ALA 21 2HB ALA 21 -30.465 -4.311 5.027 165 3HB ALA 21 3HB ALA 21 -30.728 -6.071 5.015 166 H ILE 22 H ILE 22 -26.345 -5.558 4.213 167 HA ILE 22 HA ILE 22 -27.254 -7.269 2.042 168 HB ILE 22 HB ILE 22 -26.041 -4.532 1.683 169 1HG1 ILE 22 1HG1 ILE 22 -28.577 -5.760 0.563 170 2HG1 ILE 22 2HG1 ILE 22 -28.512 -4.680 1.941 171 1HG2 ILE 22 1HG2 ILE 22 -26.495 -6.542 -0.525 172 2HG2 ILE 22 2HG2 ILE 22 -25.635 -4.985 -0.595 173 3HG2 ILE 22 3HG2 ILE 22 -24.929 -6.353 0.300 174 1HD1 ILE 22 1HD1 ILE 22 -28.360 -2.852 0.607 175 2HD1 ILE 22 2HD1 ILE 22 -27.020 -3.566 -0.321 176 3HD1 ILE 22 3HD1 ILE 22 -28.704 -3.930 -0.766 177 H GLU 23 H GLU 23 -24.402 -5.331 3.205 178 HA GLU 23 HA GLU 23 -22.630 -7.359 2.373 179 1HB GLU 23 1HB GLU 23 -20.917 -5.958 3.576 180 2HB GLU 23 2HB GLU 23 -21.869 -5.059 2.412 181 1HG GLU 23 1HG GLU 23 -23.007 -3.854 4.047 182 2HG GLU 23 2HG GLU 23 -22.940 -5.159 5.215 183 H TYR 24 H TYR 24 -24.044 -9.056 3.616 184 HA TYR 24 HA TYR 24 -22.567 -9.766 5.961 185 1HB TYR 24 1HB TYR 24 -24.681 -8.064 6.375 186 2HB TYR 24 2HB TYR 24 -25.588 -9.559 6.260 187 HD1 TYR 24 1HD TYR 24 -24.051 -11.542 7.658 188 HD2 TYR 24 2HD TYR 24 -24.516 -7.391 8.585 189 HE1 TYR 24 1HE TYR 24 -23.553 -12.025 10.104 190 HE2 TYR 24 2HE TYR 24 -24.016 -7.888 11.028 191 HH TYR 24 HH TYR 24 -24.020 -11.035 12.263 192 H ASN 25 H ASN 25 -25.531 -10.284 3.950 193 HA ASN 25 HA ASN 25 -25.003 -13.137 4.237 194 1HB ASN 25 1HB ASN 25 -27.347 -11.794 4.845 195 2HB ASN 25 2HB ASN 25 -27.660 -12.246 3.181 196 1HD2 ASN 25 1HD2 ASN 25 -26.021 -13.729 5.981 197 2HD2 ASN 25 2HD2 ASN 25 -26.839 -15.255 5.929 198 H LEU 26 H LEU 26 -23.560 -11.508 2.358 199 HA LEU 26 HA LEU 26 -24.637 -12.570 -0.139 200 1HB LEU 26 1HB LEU 26 -25.416 -10.413 -0.360 201 2HB LEU 26 2HB LEU 26 -24.061 -9.708 0.498 202 HG LEU 26 HG LEU 26 -22.615 -10.372 -1.500 203 1HD1 LEU 26 1HD1 LEU 26 -24.258 -12.000 -2.435 204 2HD1 LEU 26 2HD1 LEU 26 -25.292 -10.625 -2.893 205 3HD1 LEU 26 3HD1 LEU 26 -23.673 -10.798 -3.610 206 1HD2 LEU 26 1HD2 LEU 26 -24.602 -8.193 -1.295 207 2HD2 LEU 26 2HD2 LEU 26 -22.837 -8.132 -1.517 208 3HD2 LEU 26 3HD2 LEU 26 -23.900 -8.449 -2.910 209 H LYS 27 H LYS 27 -21.853 -10.655 1.213 210 HA LYS 27 HA LYS 27 -20.109 -12.695 0.020 211 1HB LYS 27 1HB LYS 27 -20.272 -10.262 -1.032 212 2HB LYS 27 2HB LYS 27 -19.188 -9.857 0.284 213 1HG LYS 27 1HG LYS 27 -17.858 -12.016 -0.511 214 2HG LYS 27 2HG LYS 27 -18.742 -11.790 -2.006 215 1HD LYS 27 1HD LYS 27 -17.897 -9.428 -2.135 216 2HD LYS 27 2HD LYS 27 -16.991 -9.680 -0.656 217 1HE LYS 27 1HE LYS 27 -15.274 -10.441 -1.933 218 2HE LYS 27 2HE LYS 27 -16.241 -11.860 -2.281 219 1HZ LYS 27 1HZ LYS 27 -16.142 -11.146 -4.359 220 2HZ LYS 27 2HZ LYS 27 -17.237 -10.005 -3.952 221 3HZ LYS 27 3HZ LYS 27 -15.645 -9.644 -3.954 222 H ARG 28 H ARG 28 -20.571 -13.650 2.252 223 HA ARG 28 HA ARG 28 -18.738 -12.388 4.131 224 1HB ARG 28 1HB ARG 28 -21.452 -12.791 4.536 225 2HB ARG 28 2HB ARG 28 -20.789 -14.250 5.243 226 1HG ARG 28 1HG ARG 28 -19.101 -12.157 6.160 227 2HG ARG 28 2HG ARG 28 -20.725 -11.509 6.269 228 1HD ARG 28 1HD ARG 28 -21.030 -12.701 8.177 229 2HD ARG 28 2HD ARG 28 -20.929 -14.176 7.237 230 HE ARG 28 HE ARG 28 -18.689 -14.469 7.931 231 1HH1 ARG 28 1HH1 ARG 28 -16.818 -12.534 10.151 232 2HH1 ARG 28 2HH1 ARG 28 -16.908 -14.037 9.295 233 1HH2 ARG 28 1HH2 ARG 28 -18.506 -10.959 9.913 234 2HH2 ARG 28 2HH2 ARG 28 -19.856 -11.287 8.879 235 H THR 29 H THR 29 -17.915 -14.134 5.829 236 HA THR 29 HA THR 29 -17.648 -16.760 4.558 237 HB THR 29 HB THR 29 -15.701 -15.256 3.909 238 HG1 THR 29 1HG THR 29 -14.347 -17.037 4.360 239 1HG2 THR 29 1HG2 THR 29 -15.787 -14.379 6.553 240 2HG2 THR 29 2HG2 THR 29 -14.489 -15.596 6.602 241 3HG2 THR 29 3HG2 THR 29 -14.376 -14.218 5.481 242 HA PRO 30 HA PRO 30 -18.671 -17.280 8.849 243 1HB PRO 30 1HB PRO 30 -20.398 -19.370 8.503 244 2HB PRO 30 2HB PRO 30 -20.914 -17.695 8.534 245 1HG PRO 30 1HG PRO 30 -20.640 -19.507 6.214 246 2HG PRO 30 2HG PRO 30 -21.536 -18.006 6.335 247 1HD PRO 30 1HD PRO 30 -19.003 -18.393 5.046 248 2HD PRO 30 2HD PRO 30 -19.845 -16.872 5.268 249 H ARG 31 H ARG 31 -18.618 -19.285 10.339 250 HA ARG 31 HA ARG 31 -16.934 -21.296 9.197 251 1HB ARG 31 1HB ARG 31 -15.689 -19.128 10.444 252 2HB ARG 31 2HB ARG 31 -15.801 -20.287 11.754 253 1HG ARG 31 1HG ARG 31 -13.978 -21.328 10.899 254 2HG ARG 31 2HG ARG 31 -14.966 -21.832 9.542 255 1HD ARG 31 1HD ARG 31 -14.388 -19.753 8.310 256 2HD ARG 31 2HD ARG 31 -13.467 -19.170 9.682 257 HE ARG 31 HE ARG 31 -12.314 -21.631 9.178 258 1HH1 ARG 31 1HH1 ARG 31 -10.266 -20.922 6.442 259 2HH1 ARG 31 2HH1 ARG 31 -10.555 -22.001 7.767 260 1HH2 ARG 31 1HH2 ARG 31 -11.665 -19.102 6.102 261 2HH2 ARG 31 2HH2 ARG 31 -12.998 -18.822 7.172 262 H ARG 32 H ARG 32 -16.405 -23.015 11.038 263 HA ARG 32 HA ARG 32 -18.868 -23.287 12.527 264 1HB ARG 32 1HB ARG 32 -18.222 -25.683 12.733 265 2HB ARG 32 2HB ARG 32 -18.211 -25.175 11.056 266 1HG ARG 32 1HG ARG 32 -16.000 -25.647 10.848 267 2HG ARG 32 2HG ARG 32 -15.599 -24.664 12.242 268 1HD ARG 32 1HD ARG 32 -15.636 -26.468 13.710 269 2HD ARG 32 2HD ARG 32 -16.897 -27.306 12.828 270 HE ARG 32 HE ARG 32 -14.796 -27.412 11.058 271 1HH1 ARG 32 1HH1 ARG 32 -12.768 -29.908 12.413 272 2HH1 ARG 32 2HH1 ARG 32 -13.184 -29.030 10.979 273 1HH2 ARG 32 1HH2 ARG 32 -13.849 -29.442 14.414 274 2HH2 ARG 32 2HH2 ARG 32 -15.071 -28.216 14.473 Start of MODEL 16 1 H THR 1 H THR 1 -32.907 26.529 5.490 2 HA THR 1 HA THR 1 -30.181 25.900 4.615 3 HB THR 1 HB THR 1 -31.036 27.640 6.981 4 HG1 THR 1 1HG THR 1 -29.373 28.971 5.754 5 1HG2 THR 1 1HG2 THR 1 -28.532 26.050 6.466 6 2HG2 THR 1 2HG2 THR 1 -28.317 27.739 6.987 7 3HG2 THR 1 3HG2 THR 1 -29.221 26.599 8.013 8 H SER 2 H SER 2 -32.552 25.694 7.351 9 HA SER 2 HA SER 2 -31.338 23.222 8.128 10 1HB SER 2 1HB SER 2 -33.652 24.876 9.203 11 2HB SER 2 2HB SER 2 -33.283 23.289 9.851 12 HG SER 2 HG SER 2 -31.092 25.076 9.618 13 H SER 3 H SER 3 -33.774 24.301 5.940 14 HA SER 3 HA SER 3 -35.279 21.851 6.159 15 1HB SER 3 1HB SER 3 -35.893 24.510 5.396 16 2HB SER 3 2HB SER 3 -36.013 23.579 3.916 17 HG SER 3 HG SER 3 -37.525 22.169 4.921 18 H ILE 4 H ILE 4 -32.436 21.791 5.313 19 HA ILE 4 HA ILE 4 -32.867 20.549 2.706 20 HB ILE 4 HB ILE 4 -30.912 22.723 3.366 21 1HG1 ILE 4 1HG1 ILE 4 -32.136 22.476 0.689 22 2HG1 ILE 4 2HG1 ILE 4 -33.280 22.719 1.993 23 1HG2 ILE 4 1HG2 ILE 4 -29.424 21.052 2.614 24 2HG2 ILE 4 2HG2 ILE 4 -30.546 20.506 1.345 25 3HG2 ILE 4 3HG2 ILE 4 -29.744 22.089 1.203 26 1HD1 ILE 4 1HD1 ILE 4 -32.095 24.730 2.744 27 2HD1 ILE 4 2HD1 ILE 4 -30.801 24.447 1.555 28 3HD1 ILE 4 3HD1 ILE 4 -32.440 24.872 1.004 29 H VAL 5 H VAL 5 -30.319 21.200 5.222 30 HA VAL 5 HA VAL 5 -28.801 18.999 4.869 31 HB VAL 5 HB VAL 5 -29.636 20.468 7.365 32 1HG1 VAL 5 1HG1 VAL 5 -27.837 18.081 7.075 33 2HG1 VAL 5 2HG1 VAL 5 -27.421 19.348 8.254 34 3HG1 VAL 5 3HG1 VAL 5 -28.980 18.498 8.374 35 1HG2 VAL 5 1HG2 VAL 5 -27.706 21.726 7.103 36 2HG2 VAL 5 2HG2 VAL 5 -26.896 20.480 6.123 37 3HG2 VAL 5 3HG2 VAL 5 -28.198 21.463 5.412 38 H HIS 6 H HIS 6 -31.612 19.177 7.176 39 HA HIS 6 HA HIS 6 -31.663 16.621 7.985 40 1HB HIS 6 1HB HIS 6 -33.209 18.653 8.497 41 2HB HIS 6 2HB HIS 6 -34.223 18.011 7.220 42 HD1 HIS 6 1HD HIS 6 -32.694 16.884 10.543 43 HD2 HIS 6 2HD HIS 6 -35.927 16.008 8.018 44 HE1 HIS 6 1HE HIS 6 -34.141 15.195 11.795 45 HE2 HIS 6 2HE HIS 6 -36.140 14.737 10.217 46 H LEU 7 H LEU 7 -33.280 17.892 4.990 47 HA LEU 7 HA LEU 7 -34.335 15.537 4.094 48 1HB LEU 7 1HB LEU 7 -34.478 17.966 3.217 49 2HB LEU 7 2HB LEU 7 -33.087 17.543 2.240 50 HG LEU 7 HG LEU 7 -35.422 15.694 2.124 51 1HD1 LEU 7 1HD1 LEU 7 -36.028 18.338 1.988 52 2HD1 LEU 7 2HD1 LEU 7 -35.648 17.991 0.284 53 3HD1 LEU 7 3HD1 LEU 7 -36.906 17.054 1.124 54 1HD2 LEU 7 1HD2 LEU 7 -33.967 16.772 -0.252 55 2HD2 LEU 7 2HD2 LEU 7 -33.108 15.662 0.842 56 3HD2 LEU 7 3HD2 LEU 7 -34.619 15.145 0.057 57 H CYS 8 H CYS 8 -31.162 16.919 2.971 58 HA CYS 8 HA CYS 8 -30.322 14.708 1.626 59 1HB CYS 8 1HB CYS 8 -29.046 17.096 2.782 60 2HB CYS 8 2HB CYS 8 -27.964 15.723 2.647 61 HG CYS 8 HG CYS 8 -28.009 17.526 0.551 62 H ALA 9 H ALA 9 -30.507 15.359 5.109 63 HA ALA 9 HA ALA 9 -28.707 13.367 5.956 64 1HB ALA 9 1HB ALA 9 -29.147 14.390 7.906 65 2HB ALA 9 2HB ALA 9 -30.384 15.372 7.085 66 3HB ALA 9 3HB ALA 9 -30.835 13.829 7.849 67 H ILE 10 H ILE 10 -32.159 13.395 5.022 68 HA ILE 10 HA ILE 10 -32.570 10.717 5.970 69 HB ILE 10 HB ILE 10 -34.242 12.655 4.378 70 1HG1 ILE 10 1HG1 ILE 10 -33.874 13.234 6.738 71 2HG1 ILE 10 2HG1 ILE 10 -35.551 12.845 6.406 72 1HG2 ILE 10 1HG2 ILE 10 -36.000 10.761 5.241 73 2HG2 ILE 10 2HG2 ILE 10 -35.314 10.844 3.601 74 3HG2 ILE 10 3HG2 ILE 10 -34.590 9.762 4.815 75 1HD1 ILE 10 1HD1 ILE 10 -34.344 10.367 7.084 76 2HD1 ILE 10 2HD1 ILE 10 -33.702 11.551 8.247 77 3HD1 ILE 10 3HD1 ILE 10 -35.461 11.328 8.084 78 H SER 11 H SER 11 -32.161 12.384 2.784 79 HA SER 11 HA SER 11 -32.588 10.420 1.076 80 1HB SER 11 1HB SER 11 -30.912 12.788 1.147 81 2HB SER 11 2HB SER 11 -30.084 11.530 0.251 82 HG SER 11 HG SER 11 -32.695 12.651 -0.261 83 H LEU 12 H LEU 12 -29.117 11.013 1.920 84 HA LEU 12 HA LEU 12 -28.112 8.636 1.204 85 1HB LEU 12 1HB LEU 12 -26.379 9.022 2.978 86 2HB LEU 12 2HB LEU 12 -26.644 10.329 1.841 87 HG LEU 12 HG LEU 12 -28.351 10.973 3.931 88 1HD1 LEU 12 1HD1 LEU 12 -27.532 9.347 5.445 89 2HD1 LEU 12 2HD1 LEU 12 -25.837 9.704 5.032 90 3HD1 LEU 12 3HD1 LEU 12 -26.804 10.897 5.932 91 1HD2 LEU 12 1HD2 LEU 12 -26.968 12.521 2.639 92 2HD2 LEU 12 2HD2 LEU 12 -26.765 12.775 4.389 93 3HD2 LEU 12 3HD2 LEU 12 -25.510 11.919 3.462 94 H ASP 13 H ASP 13 -29.642 9.398 4.394 95 HA ASP 13 HA ASP 13 -29.185 7.152 5.729 96 1HB ASP 13 1HB ASP 13 -31.014 9.268 5.891 97 2HB ASP 13 2HB ASP 13 -32.059 7.865 5.796 98 H ARG 14 H ARG 14 -31.825 7.711 3.286 99 HA ARG 14 HA ARG 14 -33.175 5.440 3.413 100 1HB ARG 14 1HB ARG 14 -33.061 7.508 1.627 101 2HB ARG 14 2HB ARG 14 -32.372 6.243 0.629 102 1HG ARG 14 1HG ARG 14 -34.348 4.811 0.994 103 2HG ARG 14 2HG ARG 14 -35.019 5.967 2.128 104 1HD ARG 14 1HD ARG 14 -34.830 7.677 0.113 105 2HD ARG 14 2HD ARG 14 -34.715 6.237 -0.880 106 HE ARG 14 HE ARG 14 -37.091 7.193 0.543 107 1HH1 ARG 14 1HH1 ARG 14 -39.028 4.479 -0.487 108 2HH1 ARG 14 2HH1 ARG 14 -39.048 6.055 0.230 109 1HH2 ARG 14 1HH2 ARG 14 -37.013 3.523 -1.131 110 2HH2 ARG 14 2HH2 ARG 14 -35.530 4.385 -0.894 111 H TYR 15 H TYR 15 -30.122 5.933 1.497 112 HA TYR 15 HA TYR 15 -29.984 3.183 0.748 113 1HB TYR 15 1HB TYR 15 -27.927 5.479 0.831 114 2HB TYR 15 2HB TYR 15 -27.744 4.016 -0.116 115 HD1 TYR 15 1HD TYR 15 -29.100 7.352 -0.029 116 HD2 TYR 15 2HD TYR 15 -29.395 3.574 -2.015 117 HE1 TYR 15 1HE TYR 15 -30.268 8.467 -1.993 118 HE2 TYR 15 2HE TYR 15 -30.562 4.702 -3.972 119 HH TYR 15 HH TYR 15 -30.555 7.084 -4.939 120 H TRP 16 H TRP 16 -28.581 5.254 3.320 121 HA TRP 16 HA TRP 16 -26.510 3.762 4.197 122 1HB TRP 16 1HB TRP 16 -27.099 5.882 5.167 123 2HB TRP 16 2HB TRP 16 -28.598 5.236 5.807 124 HD1 TRP 16 HD TRP 16 -28.342 4.925 8.379 125 HE1 TRP 16 1HE TRP 16 -26.521 4.124 10.113 126 HE3 TRP 16 3HE TRP 16 -24.682 4.098 4.948 127 HZ2 TRP 16 2HZ TRP 16 -23.814 3.254 9.860 128 HZ3 TRP 16 3HZ TRP 16 -22.480 3.273 5.775 129 HH2 TRP 16 HH TRP 16 -22.017 2.852 8.138 130 H SER 17 H SER 17 -29.990 3.375 5.201 131 HA SER 17 HA SER 17 -29.573 1.122 6.712 132 1HB SER 17 1HB SER 17 -31.832 2.610 5.625 133 2HB SER 17 2HB SER 17 -32.161 0.891 5.557 134 HG SER 17 HG SER 17 -32.570 2.310 7.646 135 H ILE 18 H ILE 18 -30.406 1.506 3.212 136 HA ILE 18 HA ILE 18 -30.848 -1.116 2.568 137 HB ILE 18 HB ILE 18 -29.609 1.144 1.008 138 1HG1 ILE 18 1HG1 ILE 18 -32.381 -0.048 0.793 139 2HG1 ILE 18 2HG1 ILE 18 -32.003 1.282 1.870 140 1HG2 ILE 18 1HG2 ILE 18 -29.832 -1.686 0.304 141 2HG2 ILE 18 2HG2 ILE 18 -30.647 -0.607 -0.853 142 3HG2 ILE 18 3HG2 ILE 18 -28.923 -0.371 -0.479 143 1HD1 ILE 18 1HD1 ILE 18 -32.590 1.414 -0.918 144 2HD1 ILE 18 2HD1 ILE 18 -32.121 2.753 0.156 145 3HD1 ILE 18 3HD1 ILE 18 -30.874 1.851 -0.739 146 H THR 19 H THR 19 -27.676 0.597 2.077 147 HA THR 19 HA THR 19 -26.142 -1.560 1.504 148 HB THR 19 HB THR 19 -24.276 -0.150 2.334 149 HG1 THR 19 1HG THR 19 -26.581 1.168 3.588 150 1HG2 THR 19 1HG2 THR 19 -26.017 0.696 0.400 151 2HG2 THR 19 2HG2 THR 19 -26.245 1.994 1.597 152 3HG2 THR 19 3HG2 THR 19 -24.626 1.671 0.932 153 H GLN 20 H GLN 20 -27.043 -0.422 4.812 154 HA GLN 20 HA GLN 20 -25.613 -2.598 5.962 155 1HB GLN 20 1HB GLN 20 -27.110 -0.214 6.915 156 2HB GLN 20 2HB GLN 20 -27.207 -1.598 7.985 157 1HG GLN 20 1HG GLN 20 -24.714 -1.778 7.987 158 2HG GLN 20 2HG GLN 20 -24.610 -0.405 6.903 159 1HE2 GLN 20 1HE2 GLN 20 -23.229 0.241 8.801 160 2HE2 GLN 20 2HE2 GLN 20 -23.973 1.163 10.063 161 H ALA 21 H ALA 21 -27.133 -3.917 4.238 162 HA ALA 21 HA ALA 21 -28.826 -5.475 5.889 163 1HB ALA 21 1HB ALA 21 -30.580 -4.662 3.753 164 2HB ALA 21 2HB ALA 21 -30.832 -4.542 5.511 165 3HB ALA 21 3HB ALA 21 -30.032 -3.215 4.634 166 H ILE 22 H ILE 22 -28.129 -4.435 2.482 167 HA ILE 22 HA ILE 22 -28.630 -6.864 1.280 168 HB ILE 22 HB ILE 22 -26.719 -4.637 0.588 169 1HG1 ILE 22 1HG1 ILE 22 -29.422 -5.323 -0.593 170 2HG1 ILE 22 2HG1 ILE 22 -29.198 -4.168 0.705 171 1HG2 ILE 22 1HG2 ILE 22 -26.094 -6.885 -0.413 172 2HG2 ILE 22 2HG2 ILE 22 -27.634 -6.809 -1.302 173 3HG2 ILE 22 3HG2 ILE 22 -26.394 -5.558 -1.560 174 1HD1 ILE 22 1HD1 ILE 22 -28.182 -2.599 -0.664 175 2HD1 ILE 22 2HD1 ILE 22 -27.445 -3.835 -1.710 176 3HD1 ILE 22 3HD1 ILE 22 -29.169 -3.432 -1.889 177 H GLU 23 H GLU 23 -25.343 -5.567 2.148 178 HA GLU 23 HA GLU 23 -24.354 -8.254 2.048 179 1HB GLU 23 1HB GLU 23 -23.201 -5.984 1.280 180 2HB GLU 23 2HB GLU 23 -22.710 -5.888 2.960 181 1HG GLU 23 1HG GLU 23 -21.220 -7.626 2.766 182 2HG GLU 23 2HG GLU 23 -22.291 -8.569 1.750 183 H TYR 24 H TYR 24 -25.473 -5.908 4.419 184 HA TYR 24 HA TYR 24 -24.086 -6.926 6.655 185 1HB TYR 24 1HB TYR 24 -25.344 -4.685 6.285 186 2HB TYR 24 2HB TYR 24 -26.846 -5.583 6.382 187 HD1 TYR 24 1HD TYR 24 -23.908 -4.416 8.299 188 HD2 TYR 24 2HD TYR 24 -27.732 -6.323 8.504 189 HE1 TYR 24 1HE TYR 24 -23.921 -4.134 10.826 190 HE2 TYR 24 2HE TYR 24 -27.732 -6.035 11.030 191 HH TYR 24 HH TYR 24 -25.758 -5.815 12.815 192 H ASN 25 H ASN 25 -26.896 -8.016 4.830 193 HA ASN 25 HA ASN 25 -27.182 -10.131 6.798 194 1HB ASN 25 1HB ASN 25 -29.053 -8.209 6.766 195 2HB ASN 25 2HB ASN 25 -29.629 -9.067 5.352 196 1HD2 ASN 25 1HD2 ASN 25 -28.376 -9.803 8.608 197 2HD2 ASN 25 2HD2 ASN 25 -29.559 -10.994 9.034 198 H LEU 26 H LEU 26 -25.798 -11.230 5.094 199 HA LEU 26 HA LEU 26 -27.497 -12.235 2.940 200 1HB LEU 26 1HB LEU 26 -26.230 -10.523 1.881 201 2HB LEU 26 2HB LEU 26 -24.742 -11.050 2.642 202 HG LEU 26 HG LEU 26 -25.876 -13.220 1.104 203 1HD1 LEU 26 1HD1 LEU 26 -25.504 -12.161 -1.153 204 2HD1 LEU 26 2HD1 LEU 26 -26.973 -11.643 -0.292 205 3HD1 LEU 26 3HD1 LEU 26 -25.545 -10.581 -0.335 206 1HD2 LEU 26 1HD2 LEU 26 -23.404 -11.937 0.153 207 2HD2 LEU 26 2HD2 LEU 26 -23.399 -12.370 1.880 208 3HD2 LEU 26 3HD2 LEU 26 -23.718 -13.617 0.650 209 H LYS 27 H LYS 27 -24.185 -12.555 4.414 210 HA LYS 27 HA LYS 27 -24.816 -15.378 4.842 211 1HB LYS 27 1HB LYS 27 -23.320 -14.701 2.716 212 2HB LYS 27 2HB LYS 27 -22.056 -14.712 3.930 213 1HG LYS 27 1HG LYS 27 -24.028 -17.017 3.635 214 2HG LYS 27 2HG LYS 27 -22.537 -16.949 2.717 215 1HD LYS 27 1HD LYS 27 -22.391 -16.551 5.708 216 2HD LYS 27 2HD LYS 27 -22.652 -18.174 5.101 217 1HE LYS 27 1HE LYS 27 -20.439 -18.356 4.648 218 2HE LYS 27 2HE LYS 27 -20.570 -17.045 3.492 219 1HZ LYS 27 1HZ LYS 27 -19.024 -16.782 5.474 220 2HZ LYS 27 2HZ LYS 27 -19.970 -15.513 5.075 221 3HZ LYS 27 3HZ LYS 27 -20.368 -16.460 6.344 222 H ARG 28 H ARG 28 -25.278 -14.468 7.022 223 HA ARG 28 HA ARG 28 -22.756 -14.085 8.425 224 1HB ARG 28 1HB ARG 28 -24.497 -12.075 8.212 225 2HB ARG 28 2HB ARG 28 -25.360 -12.934 9.473 226 1HG ARG 28 1HG ARG 28 -23.927 -12.153 11.046 227 2HG ARG 28 2HG ARG 28 -22.563 -12.856 10.200 228 1HD ARG 28 1HD ARG 28 -22.932 -10.715 8.589 229 2HD ARG 28 2HD ARG 28 -23.660 -10.052 10.039 230 HE ARG 28 HE ARG 28 -21.308 -11.088 11.011 231 1HH1 ARG 28 1HH1 ARG 28 -18.937 -8.749 9.969 232 2HH1 ARG 28 2HH1 ARG 28 -19.296 -10.009 11.102 233 1HH2 ARG 28 1HH2 ARG 28 -20.500 -8.157 8.358 234 2HH2 ARG 28 2HH2 ARG 28 -22.025 -8.976 8.290 235 H THR 29 H THR 29 -23.066 -14.619 10.909 236 HA THR 29 HA THR 29 -24.933 -16.883 11.164 237 HB THR 29 HB THR 29 -22.003 -16.637 12.021 238 HG1 THR 29 1HG THR 29 -23.587 -18.450 10.337 239 1HG2 THR 29 1HG2 THR 29 -24.009 -18.916 12.449 240 2HG2 THR 29 2HG2 THR 29 -22.268 -18.984 12.813 241 3HG2 THR 29 3HG2 THR 29 -23.330 -17.899 13.743 242 HA PRO 30 HA PRO 30 -25.800 -13.959 14.441 243 1HB PRO 30 1HB PRO 30 -28.518 -13.932 14.158 244 2HB PRO 30 2HB PRO 30 -27.463 -12.764 13.388 245 1HG PRO 30 1HG PRO 30 -28.874 -15.064 12.182 246 2HG PRO 30 2HG PRO 30 -28.178 -13.664 11.389 247 1HD PRO 30 1HD PRO 30 -27.068 -16.307 11.493 248 2HD PRO 30 2HD PRO 30 -26.318 -14.882 10.802 249 H ARG 31 H ARG 31 -27.570 -14.158 16.312 250 HA ARG 31 HA ARG 31 -27.718 -17.008 16.847 251 1HB ARG 31 1HB ARG 31 -25.786 -16.014 18.107 252 2HB ARG 31 2HB ARG 31 -26.869 -14.854 18.850 253 1HG ARG 31 1HG ARG 31 -27.180 -16.376 20.508 254 2HG ARG 31 2HG ARG 31 -28.135 -17.298 19.365 255 1HD ARG 31 1HD ARG 31 -25.484 -17.965 18.691 256 2HD ARG 31 2HD ARG 31 -25.449 -17.870 20.440 257 HE ARG 31 HE ARG 31 -26.841 -19.871 18.838 258 1HH1 ARG 31 1HH1 ARG 31 -28.346 -21.370 21.607 259 2HH1 ARG 31 2HH1 ARG 31 -27.969 -21.534 19.924 260 1HH2 ARG 31 1HH2 ARG 31 -27.703 -19.460 22.758 261 2HH2 ARG 31 2HH2 ARG 31 -26.847 -18.199 21.935 262 H ARG 32 H ARG 32 -29.623 -17.666 17.977 263 HA ARG 32 HA ARG 32 -31.457 -15.474 18.536 264 1HB ARG 32 1HB ARG 32 -31.767 -17.866 16.838 265 2HB ARG 32 2HB ARG 32 -33.036 -17.766 18.042 266 1HG ARG 32 1HG ARG 32 -33.484 -15.387 17.333 267 2HG ARG 32 2HG ARG 32 -32.263 -15.549 16.087 268 1HD ARG 32 1HD ARG 32 -34.651 -17.439 16.280 269 2HD ARG 32 2HD ARG 32 -34.707 -15.951 15.356 270 HE ARG 32 HE ARG 32 -32.368 -17.514 14.653 271 1HH1 ARG 32 1HH1 ARG 32 -33.770 -18.816 11.734 272 2HH1 ARG 32 2HH1 ARG 32 -32.306 -18.565 12.625 273 1HH2 ARG 32 1HH2 ARG 32 -35.795 -18.085 12.602 274 2HH2 ARG 32 2HH2 ARG 32 -35.842 -17.288 14.139 Start of MODEL 17 1 H THR 1 H THR 1 -30.538 25.718 4.879 2 HA THR 1 HA THR 1 -27.888 24.990 5.930 3 HB THR 1 HB THR 1 -29.978 27.070 6.752 4 HG1 THR 1 1HG THR 1 -28.110 28.409 6.117 5 1HG2 THR 1 1HG2 THR 1 -29.038 26.807 8.854 6 2HG2 THR 1 2HG2 THR 1 -27.643 25.902 8.217 7 3HG2 THR 1 3HG2 THR 1 -27.669 27.679 8.123 8 H SER 2 H SER 2 -31.376 25.114 6.932 9 HA SER 2 HA SER 2 -30.743 22.820 8.613 10 1HB SER 2 1HB SER 2 -32.613 25.149 8.896 11 2HB SER 2 2HB SER 2 -33.168 23.617 9.541 12 HG SER 2 HG SER 2 -31.210 25.342 10.507 13 H SER 3 H SER 3 -32.308 23.864 5.735 14 HA SER 3 HA SER 3 -34.289 21.767 5.869 15 1HB SER 3 1HB SER 3 -34.617 24.210 4.933 16 2HB SER 3 2HB SER 3 -33.837 23.591 3.491 17 HG SER 3 HG SER 3 -35.845 21.895 4.442 18 H ILE 4 H ILE 4 -31.154 22.580 4.448 19 HA ILE 4 HA ILE 4 -31.292 20.547 2.432 20 HB ILE 4 HB ILE 4 -29.084 22.331 3.450 21 1HG1 ILE 4 1HG1 ILE 4 -30.885 23.474 2.243 22 2HG1 ILE 4 2HG1 ILE 4 -29.379 23.511 1.349 23 1HG2 ILE 4 1HG2 ILE 4 -27.762 20.655 2.667 24 2HG2 ILE 4 2HG2 ILE 4 -29.008 20.029 1.560 25 3HG2 ILE 4 3HG2 ILE 4 -28.087 21.490 1.129 26 1HD1 ILE 4 1HD1 ILE 4 -31.937 22.394 0.553 27 2HD1 ILE 4 2HD1 ILE 4 -30.460 22.604 -0.419 28 3HD1 ILE 4 3HD1 ILE 4 -30.695 21.119 0.534 29 H VAL 5 H VAL 5 -29.169 21.022 5.350 30 HA VAL 5 HA VAL 5 -27.986 18.620 5.444 31 HB VAL 5 HB VAL 5 -29.106 20.330 7.663 32 1HG1 VAL 5 1HG1 VAL 5 -28.090 17.642 7.858 33 2HG1 VAL 5 2HG1 VAL 5 -26.960 18.766 8.650 34 3HG1 VAL 5 3HG1 VAL 5 -28.669 18.724 9.147 35 1HG2 VAL 5 1HG2 VAL 5 -26.203 20.109 7.369 36 2HG2 VAL 5 2HG2 VAL 5 -26.998 20.736 5.906 37 3HG2 VAL 5 3HG2 VAL 5 -27.238 21.553 7.468 38 H HIS 6 H HIS 6 -31.168 19.338 7.061 39 HA HIS 6 HA HIS 6 -31.777 16.912 7.987 40 1HB HIS 6 1HB HIS 6 -33.127 19.272 7.575 41 2HB HIS 6 2HB HIS 6 -34.034 18.164 6.564 42 HD1 HIS 6 1HD HIS 6 -32.600 18.005 10.133 43 HD2 HIS 6 2HD HIS 6 -36.067 17.043 7.977 44 HE1 HIS 6 1HE HIS 6 -34.245 17.030 11.822 45 HE2 HIS 6 2HE HIS 6 -36.375 16.509 10.449 46 H LEU 7 H LEU 7 -32.434 18.028 4.592 47 HA LEU 7 HA LEU 7 -33.537 15.706 3.649 48 1HB LEU 7 1HB LEU 7 -32.604 18.156 2.625 49 2HB LEU 7 2HB LEU 7 -31.812 16.911 1.679 50 HG LEU 7 HG LEU 7 -34.802 16.957 2.132 51 1HD1 LEU 7 1HD1 LEU 7 -34.343 19.033 1.070 52 2HD1 LEU 7 2HD1 LEU 7 -33.187 18.281 -0.056 53 3HD1 LEU 7 3HD1 LEU 7 -34.924 17.919 -0.192 54 1HD2 LEU 7 1HD2 LEU 7 -33.155 15.607 -0.022 55 2HD2 LEU 7 2HD2 LEU 7 -33.766 14.806 1.446 56 3HD2 LEU 7 3HD2 LEU 7 -34.909 15.461 0.248 57 H CYS 8 H CYS 8 -30.046 16.620 3.894 58 HA CYS 8 HA CYS 8 -28.970 14.462 2.631 59 1HB CYS 8 1HB CYS 8 -27.962 16.601 3.983 60 2HB CYS 8 2HB CYS 8 -27.563 15.312 5.102 61 HG CYS 8 HG CYS 8 -25.456 15.463 3.764 62 H ALA 9 H ALA 9 -30.737 14.673 5.661 63 HA ALA 9 HA ALA 9 -29.926 11.929 6.327 64 1HB ALA 9 1HB ALA 9 -29.623 12.790 8.381 65 2HB ALA 9 2HB ALA 9 -30.297 14.358 7.876 66 3HB ALA 9 3HB ALA 9 -31.379 13.072 8.462 67 H ILE 10 H ILE 10 -31.681 12.326 4.147 68 HA ILE 10 HA ILE 10 -34.025 11.020 5.228 69 HB ILE 10 HB ILE 10 -34.144 13.635 3.734 70 1HG1 ILE 10 1HG1 ILE 10 -35.277 12.746 6.403 71 2HG1 ILE 10 2HG1 ILE 10 -33.904 13.809 6.167 72 1HG2 ILE 10 1HG2 ILE 10 -36.447 13.346 3.347 73 2HG2 ILE 10 2HG2 ILE 10 -35.684 11.830 2.809 74 3HG2 ILE 10 3HG2 ILE 10 -36.527 11.895 4.375 75 1HD1 ILE 10 1HD1 ILE 10 -36.120 14.986 6.627 76 2HD1 ILE 10 2HD1 ILE 10 -35.279 15.523 5.153 77 3HD1 ILE 10 3HD1 ILE 10 -36.668 14.416 5.032 78 H SER 11 H SER 11 -32.334 12.373 2.326 79 HA SER 11 HA SER 11 -33.527 10.445 0.638 80 1HB SER 11 1HB SER 11 -32.093 12.856 0.321 81 2HB SER 11 2HB SER 11 -31.054 11.639 -0.392 82 HG SER 11 HG SER 11 -33.625 12.528 -1.201 83 H LEU 12 H LEU 12 -30.364 10.865 2.314 84 HA LEU 12 HA LEU 12 -29.207 8.561 1.107 85 1HB LEU 12 1HB LEU 12 -27.716 10.230 1.744 86 2HB LEU 12 2HB LEU 12 -28.457 10.442 3.318 87 HG LEU 12 HG LEU 12 -27.633 7.951 3.691 88 1HD1 LEU 12 1HD1 LEU 12 -26.733 7.327 1.650 89 2HD1 LEU 12 2HD1 LEU 12 -25.994 8.921 1.365 90 3HD1 LEU 12 3HD1 LEU 12 -25.292 7.819 2.574 91 1HD2 LEU 12 1HD2 LEU 12 -25.248 9.335 4.107 92 2HD2 LEU 12 2HD2 LEU 12 -26.515 10.581 4.206 93 3HD2 LEU 12 3HD2 LEU 12 -26.596 9.145 5.254 94 H ASP 13 H ASP 13 -30.362 9.296 4.477 95 HA ASP 13 HA ASP 13 -30.021 6.962 5.639 96 1HB ASP 13 1HB ASP 13 -32.198 9.014 5.753 97 2HB ASP 13 2HB ASP 13 -32.578 7.478 6.507 98 H ARG 14 H ARG 14 -32.753 7.846 3.416 99 HA ARG 14 HA ARG 14 -34.330 5.726 3.598 100 1HB ARG 14 1HB ARG 14 -34.181 7.812 1.880 101 2HB ARG 14 2HB ARG 14 -33.585 6.570 0.797 102 1HG ARG 14 1HG ARG 14 -36.039 5.870 2.371 103 2HG ARG 14 2HG ARG 14 -36.240 7.110 1.149 104 1HD ARG 14 1HD ARG 14 -36.505 5.367 -0.309 105 2HD ARG 14 2HD ARG 14 -34.758 5.235 -0.247 106 HE ARG 14 HE ARG 14 -34.948 3.327 1.137 107 1HH1 ARG 14 1HH1 ARG 14 -37.835 1.658 2.165 108 2HH1 ARG 14 2HH1 ARG 14 -36.110 1.578 2.039 109 1HH2 ARG 14 1HH2 ARG 14 -38.967 3.541 1.417 110 2HH2 ARG 14 2HH2 ARG 14 -38.086 4.867 0.733 111 H TYR 15 H TYR 15 -31.764 5.909 1.012 112 HA TYR 15 HA TYR 15 -31.846 3.131 0.527 113 1HB TYR 15 1HB TYR 15 -29.661 5.248 0.034 114 2HB TYR 15 2HB TYR 15 -29.841 3.756 -0.868 115 HD1 TYR 15 1HD TYR 15 -30.141 7.073 -1.308 116 HD2 TYR 15 2HD TYR 15 -32.601 3.587 -1.621 117 HE1 TYR 15 1HE TYR 15 -31.626 8.264 -2.993 118 HE2 TYR 15 2HE TYR 15 -34.078 4.790 -3.305 119 HH TYR 15 HH TYR 15 -34.264 6.547 -4.600 120 H TRP 16 H TRP 16 -29.697 5.266 2.485 121 HA TRP 16 HA TRP 16 -27.651 3.589 3.046 122 1HB TRP 16 1HB TRP 16 -27.257 5.534 4.065 123 2HB TRP 16 2HB TRP 16 -28.954 5.852 4.365 124 HD1 TRP 16 HD TRP 16 -29.948 5.005 6.757 125 HE1 TRP 16 1HE TRP 16 -28.880 4.283 9.059 126 HE3 TRP 16 3HE TRP 16 -25.240 4.326 4.959 127 HZ2 TRP 16 2HZ TRP 16 -26.245 3.526 9.853 128 HZ3 TRP 16 3HZ TRP 16 -23.478 3.595 6.565 129 HH2 TRP 16 HH TRP 16 -23.919 3.197 8.935 130 H SER 17 H SER 17 -30.795 3.825 4.872 131 HA SER 17 HA SER 17 -30.470 1.953 6.699 132 1HB SER 17 1HB SER 17 -32.559 3.241 6.348 133 2HB SER 17 2HB SER 17 -32.933 2.284 4.929 134 HG SER 17 HG SER 17 -33.948 1.678 7.103 135 H ILE 18 H ILE 18 -31.044 1.391 3.195 136 HA ILE 18 HA ILE 18 -31.276 -1.438 3.507 137 HB ILE 18 HB ILE 18 -30.881 0.310 1.075 138 1HG1 ILE 18 1HG1 ILE 18 -33.437 -1.028 1.961 139 2HG1 ILE 18 2HG1 ILE 18 -32.990 0.563 2.545 140 1HG2 ILE 18 1HG2 ILE 18 -30.411 -2.399 1.227 141 2HG2 ILE 18 2HG2 ILE 18 -32.107 -2.322 0.693 142 3HG2 ILE 18 3HG2 ILE 18 -30.840 -1.492 -0.243 143 1HD1 ILE 18 1HD1 ILE 18 -34.463 0.535 0.456 144 2HD1 ILE 18 2HD1 ILE 18 -32.966 1.487 0.313 145 3HD1 ILE 18 3HD1 ILE 18 -33.065 -0.131 -0.422 146 H THR 19 H THR 19 -28.713 0.881 2.445 147 HA THR 19 HA THR 19 -26.794 -0.951 1.704 148 HB THR 19 HB THR 19 -26.659 1.813 3.004 149 HG1 THR 19 1HG THR 19 -27.617 1.318 0.797 150 1HG2 THR 19 1HG2 THR 19 -24.490 -0.067 2.500 151 2HG2 THR 19 2HG2 THR 19 -24.391 1.279 1.339 152 3HG2 THR 19 3HG2 THR 19 -24.385 1.610 3.088 153 H GLN 20 H GLN 20 -27.638 0.224 5.001 154 HA GLN 20 HA GLN 20 -25.563 -1.434 6.085 155 1HB GLN 20 1HB GLN 20 -26.263 -0.487 8.257 156 2HB GLN 20 2HB GLN 20 -25.999 0.782 7.077 157 1HG GLN 20 1HG GLN 20 -28.078 1.528 7.631 158 2HG GLN 20 2HG GLN 20 -28.689 0.187 6.683 159 1HE2 GLN 20 1HE2 GLN 20 -27.156 0.615 9.876 160 2HE2 GLN 20 2HE2 GLN 20 -28.313 -0.288 10.796 161 H ALA 21 H ALA 21 -27.237 -3.071 4.656 162 HA ALA 21 HA ALA 21 -28.059 -4.924 6.572 163 1HB ALA 21 1HB ALA 21 -29.884 -3.034 6.677 164 2HB ALA 21 2HB ALA 21 -30.456 -3.761 5.156 165 3HB ALA 21 3HB ALA 21 -30.387 -4.741 6.640 166 H ILE 22 H ILE 22 -26.414 -4.726 4.201 167 HA ILE 22 HA ILE 22 -27.794 -6.739 2.596 168 HB ILE 22 HB ILE 22 -26.528 -4.200 1.600 169 1HG1 ILE 22 1HG1 ILE 22 -29.176 -5.519 0.938 170 2HG1 ILE 22 2HG1 ILE 22 -28.971 -4.258 2.138 171 1HG2 ILE 22 1HG2 ILE 22 -27.255 -5.732 -0.630 172 2HG2 ILE 22 2HG2 ILE 22 -25.612 -5.290 -0.105 173 3HG2 ILE 22 3HG2 ILE 22 -26.329 -6.834 0.418 174 1HD1 ILE 22 1HD1 ILE 22 -27.885 -3.782 -0.639 175 2HD1 ILE 22 2HD1 ILE 22 -29.637 -3.643 -0.361 176 3HD1 ILE 22 3HD1 ILE 22 -28.508 -2.608 0.545 177 H GLU 23 H GLU 23 -24.625 -4.956 2.639 178 HA GLU 23 HA GLU 23 -23.120 -7.090 1.892 179 1HB GLU 23 1HB GLU 23 -22.569 -4.518 2.350 180 2HB GLU 23 2HB GLU 23 -22.006 -5.125 3.894 181 1HG GLU 23 1HG GLU 23 -20.115 -5.969 2.961 182 2HG GLU 23 2HG GLU 23 -21.030 -6.846 1.752 183 H TYR 24 H TYR 24 -24.734 -6.507 4.932 184 HA TYR 24 HA TYR 24 -23.075 -7.896 6.681 185 1HB TYR 24 1HB TYR 24 -25.202 -6.418 7.032 186 2HB TYR 24 2HB TYR 24 -26.150 -7.804 6.532 187 HD1 TYR 24 1HD TYR 24 -26.917 -9.308 8.144 188 HD2 TYR 24 2HD TYR 24 -23.553 -6.826 9.054 189 HE1 TYR 24 1HE TYR 24 -26.933 -10.153 10.542 190 HE2 TYR 24 2HE TYR 24 -23.580 -7.680 11.448 191 HH TYR 24 HH TYR 24 -26.207 -9.598 12.648 192 H ASN 25 H ASN 25 -25.517 -9.018 4.312 193 HA ASN 25 HA ASN 25 -24.535 -11.694 4.798 194 1HB ASN 25 1HB ASN 25 -27.240 -10.726 5.433 195 2HB ASN 25 2HB ASN 25 -27.310 -12.010 4.242 196 1HD2 ASN 25 1HD2 ASN 25 -26.603 -11.122 7.493 197 2HD2 ASN 25 2HD2 ASN 25 -26.304 -12.699 8.145 198 H LEU 26 H LEU 26 -23.447 -11.263 2.697 199 HA LEU 26 HA LEU 26 -25.333 -11.415 0.455 200 1HB LEU 26 1HB LEU 26 -24.630 -9.228 0.275 201 2HB LEU 26 2HB LEU 26 -23.019 -9.571 0.874 202 HG LEU 26 HG LEU 26 -22.776 -10.940 -1.357 203 1HD1 LEU 26 1HD1 LEU 26 -24.998 -9.007 -2.075 204 2HD1 LEU 26 2HD1 LEU 26 -24.037 -9.965 -3.227 205 3HD1 LEU 26 3HD1 LEU 26 -25.100 -10.784 -2.058 206 1HD2 LEU 26 1HD2 LEU 26 -21.518 -9.224 -2.169 207 2HD2 LEU 26 2HD2 LEU 26 -22.764 -7.997 -1.839 208 3HD2 LEU 26 3HD2 LEU 26 -21.767 -8.633 -0.509 209 H LYS 27 H LYS 27 -21.789 -11.704 1.231 210 HA LYS 27 HA LYS 27 -21.909 -14.378 0.044 211 1HB LYS 27 1HB LYS 27 -21.060 -12.982 -1.716 212 2HB LYS 27 2HB LYS 27 -19.939 -12.181 -0.634 213 1HG LYS 27 1HG LYS 27 -18.420 -13.901 -0.717 214 2HG LYS 27 2HG LYS 27 -19.660 -15.137 -0.646 215 1HD LYS 27 1HD LYS 27 -19.738 -13.628 -3.182 216 2HD LYS 27 2HD LYS 27 -18.186 -14.398 -2.920 217 1HE LYS 27 1HE LYS 27 -19.883 -16.441 -2.185 218 2HE LYS 27 2HE LYS 27 -20.863 -15.637 -3.396 219 1HZ LYS 27 1HZ LYS 27 -18.471 -17.136 -3.730 220 2HZ LYS 27 2HZ LYS 27 -19.635 -16.781 -4.819 221 3HZ LYS 27 3HZ LYS 27 -18.433 -15.714 -4.531 222 H ARG 28 H ARG 28 -22.204 -14.570 2.552 223 HA ARG 28 HA ARG 28 -19.674 -14.282 3.893 224 1HB ARG 28 1HB ARG 28 -22.499 -14.411 4.677 225 2HB ARG 28 2HB ARG 28 -21.548 -15.531 5.632 226 1HG ARG 28 1HG ARG 28 -19.891 -13.363 5.724 227 2HG ARG 28 2HG ARG 28 -21.424 -12.536 5.531 228 1HD ARG 28 1HD ARG 28 -21.684 -14.684 7.500 229 2HD ARG 28 2HD ARG 28 -20.353 -13.629 7.931 230 HE ARG 28 HE ARG 28 -22.638 -12.052 7.146 231 1HH1 ARG 28 1HH1 ARG 28 -23.746 -11.448 10.400 232 2HH1 ARG 28 2HH1 ARG 28 -23.861 -10.963 8.741 233 1HH2 ARG 28 1HH2 ARG 28 -22.351 -13.202 11.003 234 2HH2 ARG 28 2HH2 ARG 28 -21.424 -14.026 9.794 235 H THR 29 H THR 29 -19.071 -16.239 5.433 236 HA THR 29 HA THR 29 -18.122 -18.280 5.347 237 HB THR 29 HB THR 29 -19.887 -20.049 5.551 238 HG1 THR 29 1HG THR 29 -22.096 -19.225 5.052 239 1HG2 THR 29 1HG2 THR 29 -21.465 -18.818 7.162 240 2HG2 THR 29 2HG2 THR 29 -19.735 -18.660 7.551 241 3HG2 THR 29 3HG2 THR 29 -20.593 -17.323 6.748 242 HA PRO 30 HA PRO 30 -17.870 -18.697 0.882 243 1HB PRO 30 1HB PRO 30 -15.188 -18.233 0.636 244 2HB PRO 30 2HB PRO 30 -16.399 -16.981 0.441 245 1HG PRO 30 1HG PRO 30 -14.573 -17.456 2.718 246 2HG PRO 30 2HG PRO 30 -15.469 -16.005 2.313 247 1HD PRO 30 1HD PRO 30 -16.115 -17.905 4.362 248 2HD PRO 30 2HD PRO 30 -17.071 -16.518 3.880 249 H ARG 31 H ARG 31 -18.489 -20.846 2.045 250 HA ARG 31 HA ARG 31 -16.186 -22.524 2.250 251 1HB ARG 31 1HB ARG 31 -19.020 -22.616 3.059 252 2HB ARG 31 2HB ARG 31 -18.502 -24.145 2.377 253 1HG ARG 31 1HG ARG 31 -17.788 -24.522 4.537 254 2HG ARG 31 2HG ARG 31 -16.358 -23.685 3.968 255 1HD ARG 31 1HD ARG 31 -16.810 -22.451 5.899 256 2HD ARG 31 2HD ARG 31 -17.689 -21.499 4.719 257 HE ARG 31 HE ARG 31 -19.736 -22.265 5.621 258 1HH1 ARG 31 1HH1 ARG 31 -20.268 -24.311 8.397 259 2HH1 ARG 31 2HH1 ARG 31 -21.001 -23.229 7.262 260 1HH2 ARG 31 1HH2 ARG 31 -18.000 -24.783 8.252 261 2HH2 ARG 31 2HH2 ARG 31 -17.041 -24.052 7.009 262 H ARG 32 H ARG 32 -15.302 -23.459 0.434 263 HA ARG 32 HA ARG 32 -17.191 -24.261 -1.628 264 1HB ARG 32 1HB ARG 32 -15.195 -22.278 -1.881 265 2HB ARG 32 2HB ARG 32 -14.478 -23.688 -2.637 266 1HG ARG 32 1HG ARG 32 -17.312 -23.318 -3.395 267 2HG ARG 32 2HG ARG 32 -16.317 -21.941 -3.827 268 1HD ARG 32 1HD ARG 32 -15.160 -24.640 -4.447 269 2HD ARG 32 2HD ARG 32 -16.556 -24.167 -5.395 270 HE ARG 32 HE ARG 32 -13.888 -23.043 -5.582 271 1HH1 ARG 32 1HH1 ARG 32 -14.838 -20.433 -7.695 272 2HH1 ARG 32 2HH1 ARG 32 -13.507 -21.337 -7.055 273 1HH2 ARG 32 1HH2 ARG 32 -17.008 -20.954 -7.058 274 2HH2 ARG 32 2HH2 ARG 32 -17.297 -22.247 -5.942 Start of MODEL 18 1 H THR 1 H THR 1 -27.768 27.073 4.092 2 HA THR 1 HA THR 1 -25.766 25.178 3.052 3 HB THR 1 HB THR 1 -25.571 27.321 5.222 4 HG1 THR 1 1HG THR 1 -25.133 27.572 2.781 5 1HG2 THR 1 1HG2 THR 1 -24.248 24.726 5.121 6 2HG2 THR 1 2HG2 THR 1 -23.067 26.010 4.766 7 3HG2 THR 1 3HG2 THR 1 -23.996 26.051 6.283 8 H SER 2 H SER 2 -27.598 26.151 6.030 9 HA SER 2 HA SER 2 -27.401 23.438 6.932 10 1HB SER 2 1HB SER 2 -27.156 25.327 8.524 11 2HB SER 2 2HB SER 2 -28.778 25.874 8.148 12 HG SER 2 HG SER 2 -29.653 24.285 9.344 13 H SER 3 H SER 3 -29.488 25.354 4.972 14 HA SER 3 HA SER 3 -31.847 23.880 5.693 15 1HB SER 3 1HB SER 3 -32.522 25.332 3.446 16 2HB SER 3 2HB SER 3 -32.678 25.908 5.093 17 HG SER 3 HG SER 3 -30.504 26.381 3.249 18 H ILE 4 H ILE 4 -29.797 22.163 4.818 19 HA ILE 4 HA ILE 4 -31.020 21.134 2.395 20 HB ILE 4 HB ILE 4 -28.083 21.788 2.626 21 1HG1 ILE 4 1HG1 ILE 4 -29.542 23.676 1.991 22 2HG1 ILE 4 2HG1 ILE 4 -28.436 23.211 0.713 23 1HG2 ILE 4 1HG2 ILE 4 -28.790 19.493 1.603 24 2HG2 ILE 4 2HG2 ILE 4 -29.312 20.484 0.220 25 3HG2 ILE 4 3HG2 ILE 4 -27.615 20.526 0.754 26 1HD1 ILE 4 1HD1 ILE 4 -30.154 22.788 -0.699 27 2HD1 ILE 4 2HD1 ILE 4 -30.898 21.675 0.473 28 3HD1 ILE 4 3HD1 ILE 4 -31.261 23.416 0.545 29 H VAL 5 H VAL 5 -28.224 20.632 4.669 30 HA VAL 5 HA VAL 5 -28.057 17.947 4.576 31 HB VAL 5 HB VAL 5 -27.847 19.807 6.947 32 1HG1 VAL 5 1HG1 VAL 5 -26.211 17.426 7.147 33 2HG1 VAL 5 2HG1 VAL 5 -27.384 18.096 8.305 34 3HG1 VAL 5 3HG1 VAL 5 -27.933 16.995 7.018 35 1HG2 VAL 5 1HG2 VAL 5 -25.930 18.833 4.836 36 2HG2 VAL 5 2HG2 VAL 5 -26.238 20.491 5.406 37 3HG2 VAL 5 3HG2 VAL 5 -25.339 19.350 6.434 38 H HIS 6 H HIS 6 -30.206 19.787 6.865 39 HA HIS 6 HA HIS 6 -31.433 17.708 8.052 40 1HB HIS 6 1HB HIS 6 -31.726 20.202 8.433 41 2HB HIS 6 2HB HIS 6 -32.895 20.191 7.127 42 HD1 HIS 6 1HD HIS 6 -32.366 18.837 10.635 43 HD2 HIS 6 2HD HIS 6 -35.423 19.208 7.786 44 HE1 HIS 6 1HE HIS 6 -34.534 18.213 11.827 45 HE2 HIS 6 2HE HIS 6 -36.383 18.513 10.041 46 H LEU 7 H LEU 7 -32.047 19.021 4.767 47 HA LEU 7 HA LEU 7 -34.304 17.337 4.333 48 1HB LEU 7 1HB LEU 7 -33.161 19.586 3.141 49 2HB LEU 7 2HB LEU 7 -32.981 18.318 1.945 50 HG LEU 7 HG LEU 7 -35.039 19.614 1.631 51 1HD1 LEU 7 1HD1 LEU 7 -36.660 17.562 1.811 52 2HD1 LEU 7 2HD1 LEU 7 -35.283 17.532 0.684 53 3HD1 LEU 7 3HD1 LEU 7 -35.174 16.683 2.244 54 1HD2 LEU 7 1HD2 LEU 7 -36.397 18.443 3.990 55 2HD2 LEU 7 2HD2 LEU 7 -35.237 19.753 4.316 56 3HD2 LEU 7 3HD2 LEU 7 -36.601 20.028 3.206 57 H CYS 8 H CYS 8 -30.783 17.225 3.614 58 HA CYS 8 HA CYS 8 -30.907 14.963 1.984 59 1HB CYS 8 1HB CYS 8 -28.704 16.265 3.584 60 2HB CYS 8 2HB CYS 8 -28.427 14.748 2.750 61 HG CYS 8 HG CYS 8 -27.565 16.870 1.363 62 H ALA 9 H ALA 9 -30.998 15.516 5.488 63 HA ALA 9 HA ALA 9 -30.156 13.078 6.443 64 1HB ALA 9 1HB ALA 9 -31.475 13.645 8.423 65 2HB ALA 9 2HB ALA 9 -30.694 15.111 7.783 66 3HB ALA 9 3HB ALA 9 -32.425 14.822 7.485 67 H ILE 10 H ILE 10 -33.199 14.019 4.837 68 HA ILE 10 HA ILE 10 -34.446 11.505 5.492 69 HB ILE 10 HB ILE 10 -35.262 13.904 3.864 70 1HG1 ILE 10 1HG1 ILE 10 -37.123 13.675 5.774 71 2HG1 ILE 10 2HG1 ILE 10 -35.806 12.884 6.617 72 1HG2 ILE 10 1HG2 ILE 10 -37.368 12.902 3.405 73 2HG2 ILE 10 2HG2 ILE 10 -36.117 11.754 2.872 74 3HG2 ILE 10 3HG2 ILE 10 -36.986 11.477 4.401 75 1HD1 ILE 10 1HD1 ILE 10 -36.212 15.698 6.212 76 2HD1 ILE 10 2HD1 ILE 10 -34.882 14.895 7.081 77 3HD1 ILE 10 3HD1 ILE 10 -34.731 15.233 5.340 78 H SER 11 H SER 11 -33.364 13.197 2.461 79 HA SER 11 HA SER 11 -33.670 10.820 0.970 80 1HB SER 11 1HB SER 11 -32.344 12.238 -0.773 81 2HB SER 11 2HB SER 11 -33.944 12.777 -0.302 82 HG SER 11 HG SER 11 -32.599 14.584 -0.191 83 H LEU 12 H LEU 12 -32.274 9.620 2.731 84 HA LEU 12 HA LEU 12 -29.833 8.953 1.551 85 1HB LEU 12 1HB LEU 12 -28.853 10.932 2.266 86 2HB LEU 12 2HB LEU 12 -29.716 10.939 3.792 87 HG LEU 12 HG LEU 12 -28.185 8.612 3.916 88 1HD1 LEU 12 1HD1 LEU 12 -26.431 10.828 2.830 89 2HD1 LEU 12 2HD1 LEU 12 -25.939 9.189 3.320 90 3HD1 LEU 12 3HD1 LEU 12 -26.971 9.418 1.887 91 1HD2 LEU 12 1HD2 LEU 12 -27.377 11.300 5.041 92 2HD2 LEU 12 2HD2 LEU 12 -28.722 10.328 5.685 93 3HD2 LEU 12 3HD2 LEU 12 -27.063 9.682 5.713 94 H ASP 13 H ASP 13 -31.349 9.292 4.840 95 HA ASP 13 HA ASP 13 -30.428 7.050 5.955 96 1HB ASP 13 1HB ASP 13 -32.356 8.903 6.580 97 2HB ASP 13 2HB ASP 13 -33.368 7.500 6.302 98 H ARG 14 H ARG 14 -33.436 7.400 3.926 99 HA ARG 14 HA ARG 14 -34.466 4.988 3.996 100 1HB ARG 14 1HB ARG 14 -34.860 7.120 2.392 101 2HB ARG 14 2HB ARG 14 -34.017 6.117 1.228 102 1HG ARG 14 1HG ARG 14 -35.748 4.596 1.068 103 2HG ARG 14 2HG ARG 14 -36.157 4.717 2.767 104 1HD ARG 14 1HD ARG 14 -36.688 7.101 0.980 105 2HD ARG 14 2HD ARG 14 -37.776 5.729 0.895 106 HE ARG 14 HE ARG 14 -37.244 6.579 3.643 107 1HH1 ARG 14 1HH1 ARG 14 -40.385 8.055 4.007 108 2HH1 ARG 14 2HH1 ARG 14 -38.963 7.505 4.830 109 1HH2 ARG 14 1HH2 ARG 14 -40.544 7.850 1.701 110 2HH2 ARG 14 2HH2 ARG 14 -39.241 7.147 0.802 111 H TYR 15 H TYR 15 -31.494 5.932 2.193 112 HA TYR 15 HA TYR 15 -31.182 3.231 1.175 113 1HB TYR 15 1HB TYR 15 -29.410 5.751 1.077 114 2HB TYR 15 2HB TYR 15 -29.242 4.355 0.030 115 HD1 TYR 15 1HD TYR 15 -30.952 3.899 -1.735 116 HD2 TYR 15 2HD TYR 15 -31.032 7.470 0.620 117 HE1 TYR 15 1HE TYR 15 -32.506 4.990 -3.427 118 HE2 TYR 15 2HE TYR 15 -32.585 8.548 -1.079 119 HH TYR 15 HH TYR 15 -33.459 8.377 -3.077 120 H TRP 16 H TRP 16 -31.191 3.121 3.942 121 HA TRP 16 HA TRP 16 -28.327 2.827 4.551 122 1HB TRP 16 1HB TRP 16 -29.220 4.582 5.899 123 2HB TRP 16 2HB TRP 16 -30.623 3.627 6.338 124 HD1 TRP 16 HD TRP 16 -30.372 2.877 8.820 125 HE1 TRP 16 1HE TRP 16 -28.488 2.015 10.454 126 HE3 TRP 16 3HE TRP 16 -26.571 3.212 5.459 127 HZ2 TRP 16 2HZ TRP 16 -25.683 1.580 10.165 128 HZ3 TRP 16 3HZ TRP 16 -24.290 2.549 6.216 129 HH2 TRP 16 HH TRP 16 -23.816 1.755 8.479 130 H SER 17 H SER 17 -31.581 1.689 5.734 131 HA SER 17 HA SER 17 -30.847 -0.658 6.751 132 1HB SER 17 1HB SER 17 -33.144 0.156 6.857 133 2HB SER 17 2HB SER 17 -33.339 -0.007 5.123 134 HG SER 17 HG SER 17 -33.923 -1.832 6.961 135 H ILE 18 H ILE 18 -32.053 -0.273 3.330 136 HA ILE 18 HA ILE 18 -31.646 -2.751 2.395 137 HB ILE 18 HB ILE 18 -31.097 -0.113 1.039 138 1HG1 ILE 18 1HG1 ILE 18 -33.465 -1.373 0.119 139 2HG1 ILE 18 2HG1 ILE 18 -33.499 -1.472 1.868 140 1HG2 ILE 18 1HG2 ILE 18 -30.009 -2.186 -0.021 141 2HG2 ILE 18 2HG2 ILE 18 -31.671 -2.696 -0.401 142 3HG2 ILE 18 3HG2 ILE 18 -31.042 -1.161 -1.046 143 1HD1 ILE 18 1HD1 ILE 18 -33.149 0.945 2.078 144 2HD1 ILE 18 2HD1 ILE 18 -32.923 1.095 0.319 145 3HD1 ILE 18 3HD1 ILE 18 -34.516 0.649 0.977 146 H THR 19 H THR 19 -29.099 -0.155 2.401 147 HA THR 19 HA THR 19 -27.029 -1.710 1.464 148 HB THR 19 HB THR 19 -27.139 0.649 3.409 149 HG1 THR 19 1HG THR 19 -27.455 1.586 1.432 150 1HG2 THR 19 1HG2 THR 19 -24.747 0.939 2.218 151 2HG2 THR 19 2HG2 THR 19 -24.898 0.012 3.730 152 3HG2 THR 19 3HG2 THR 19 -24.816 -0.839 2.169 153 H GLN 20 H GLN 20 -27.800 -1.056 4.952 154 HA GLN 20 HA GLN 20 -25.932 -2.526 6.109 155 1HB GLN 20 1HB GLN 20 -28.633 -1.674 6.783 156 2HB GLN 20 2HB GLN 20 -28.307 -3.237 7.507 157 1HG GLN 20 1HG GLN 20 -26.539 -2.426 8.819 158 2HG GLN 20 2HG GLN 20 -26.164 -1.125 7.707 159 1HE2 GLN 20 1HE2 GLN 20 -26.469 -0.889 10.502 160 2HE2 GLN 20 2HE2 GLN 20 -27.807 0.158 10.843 161 H ALA 21 H ALA 21 -29.113 -3.881 4.973 162 HA ALA 21 HA ALA 21 -28.784 -6.479 5.627 163 1HB ALA 21 1HB ALA 21 -30.528 -6.860 4.171 164 2HB ALA 21 2HB ALA 21 -30.616 -5.084 4.253 165 3HB ALA 21 3HB ALA 21 -29.808 -5.872 2.877 166 H ILE 22 H ILE 22 -27.567 -4.871 2.605 167 HA ILE 22 HA ILE 22 -26.301 -7.168 1.627 168 HB ILE 22 HB ILE 22 -25.948 -4.223 1.107 169 1HG1 ILE 22 1HG1 ILE 22 -26.957 -6.104 -0.953 170 2HG1 ILE 22 2HG1 ILE 22 -28.006 -5.858 0.430 171 1HG2 ILE 22 1HG2 ILE 22 -24.569 -4.773 -0.808 172 2HG2 ILE 22 2HG2 ILE 22 -23.812 -5.383 0.683 173 3HG2 ILE 22 3HG2 ILE 22 -24.656 -6.506 -0.410 174 1HD1 ILE 22 1HD1 ILE 22 -27.561 -4.096 -1.798 175 2HD1 ILE 22 2HD1 ILE 22 -28.656 -3.865 -0.415 176 3HD1 ILE 22 3HD1 ILE 22 -26.977 -3.281 -0.327 177 H GLU 23 H GLU 23 -24.939 -4.272 3.354 178 HA GLU 23 HA GLU 23 -22.382 -5.075 3.501 179 1HB GLU 23 1HB GLU 23 -23.166 -2.896 4.312 180 2HB GLU 23 2HB GLU 23 -24.037 -3.653 5.631 181 1HG GLU 23 1HG GLU 23 -22.042 -4.261 6.776 182 2HG GLU 23 2HG GLU 23 -21.056 -4.125 5.334 183 H TYR 24 H TYR 24 -25.167 -6.488 5.112 184 HA TYR 24 HA TYR 24 -23.894 -7.697 7.282 185 1HB TYR 24 1HB TYR 24 -26.429 -7.410 6.335 186 2HB TYR 24 2HB TYR 24 -26.112 -8.980 5.624 187 HD1 TYR 24 1HD TYR 24 -25.302 -7.478 8.974 188 HD2 TYR 24 2HD TYR 24 -27.209 -10.639 6.812 189 HE1 TYR 24 1HE TYR 24 -25.934 -8.604 11.164 190 HE2 TYR 24 2HE TYR 24 -27.835 -11.755 9.009 191 HH TYR 24 HH TYR 24 -28.162 -11.211 11.272 192 H ASN 25 H ASN 25 -24.359 -8.750 3.862 193 HA ASN 25 HA ASN 25 -22.325 -10.752 4.388 194 1HB ASN 25 1HB ASN 25 -25.134 -11.221 3.588 195 2HB ASN 25 2HB ASN 25 -24.008 -11.921 2.442 196 1HD2 ASN 25 1HD2 ASN 25 -25.493 -12.172 5.479 197 2HD2 ASN 25 2HD2 ASN 25 -24.664 -13.561 6.097 198 H LEU 26 H LEU 26 -20.988 -9.050 3.269 199 HA LEU 26 HA LEU 26 -21.521 -8.998 0.380 200 1HB LEU 26 1HB LEU 26 -21.895 -6.827 1.427 201 2HB LEU 26 2HB LEU 26 -20.286 -6.860 2.120 202 HG LEU 26 HG LEU 26 -20.656 -7.029 -0.863 203 1HD1 LEU 26 1HD1 LEU 26 -20.064 -4.349 -0.217 204 2HD1 LEU 26 2HD1 LEU 26 -21.534 -4.997 -0.983 205 3HD1 LEU 26 3HD1 LEU 26 -21.460 -4.813 0.786 206 1HD2 LEU 26 1HD2 LEU 26 -18.434 -7.032 0.883 207 2HD2 LEU 26 2HD2 LEU 26 -18.440 -6.980 -0.897 208 3HD2 LEU 26 3HD2 LEU 26 -18.423 -5.465 0.038 209 H LYS 27 H LYS 27 -18.885 -8.635 2.860 210 HA LYS 27 HA LYS 27 -17.138 -10.037 0.965 211 1HB LYS 27 1HB LYS 27 -16.448 -7.744 1.551 212 2HB LYS 27 2HB LYS 27 -16.427 -8.173 3.249 213 1HG LYS 27 1HG LYS 27 -14.829 -10.156 2.355 214 2HG LYS 27 2HG LYS 27 -14.545 -9.017 1.053 215 1HD LYS 27 1HD LYS 27 -13.057 -7.948 2.388 216 2HD LYS 27 2HD LYS 27 -14.394 -7.449 3.405 217 1HE LYS 27 1HE LYS 27 -14.188 -9.691 4.626 218 2HE LYS 27 2HE LYS 27 -12.726 -9.989 3.707 219 1HZ LYS 27 1HZ LYS 27 -12.121 -7.648 4.603 220 2HZ LYS 27 2HZ LYS 27 -13.203 -8.010 5.771 221 3HZ LYS 27 3HZ LYS 27 -11.904 -8.971 5.536 222 H ARG 28 H ARG 28 -18.461 -11.987 1.768 223 HA ARG 28 HA ARG 28 -16.959 -13.072 3.979 224 1HB ARG 28 1HB ARG 28 -19.278 -12.155 4.743 225 2HB ARG 28 2HB ARG 28 -19.980 -13.465 3.816 226 1HG ARG 28 1HG ARG 28 -18.729 -15.132 5.152 227 2HG ARG 28 2HG ARG 28 -17.907 -13.855 6.027 228 1HD ARG 28 1HD ARG 28 -20.270 -13.027 6.729 229 2HD ARG 28 2HD ARG 28 -20.873 -14.555 6.118 230 HE ARG 28 HE ARG 28 -19.292 -14.147 8.553 231 1HH1 ARG 28 1HH1 ARG 28 -19.250 -17.554 9.309 232 2HH1 ARG 28 2HH1 ARG 28 -18.937 -15.957 9.903 233 1HH2 ARG 28 1HH2 ARG 28 -20.029 -17.855 7.143 234 2HH2 ARG 28 2HH2 ARG 28 -20.297 -16.482 6.121 235 H THR 29 H THR 29 -16.888 -15.460 3.945 236 HA THR 29 HA THR 29 -17.885 -16.601 1.419 237 HB THR 29 HB THR 29 -15.158 -16.826 2.778 238 HG1 THR 29 1HG THR 29 -15.303 -15.166 1.213 239 1HG2 THR 29 1HG2 THR 29 -14.815 -18.299 0.568 240 2HG2 THR 29 2HG2 THR 29 -15.376 -19.065 2.073 241 3HG2 THR 29 3HG2 THR 29 -16.545 -18.650 0.797 242 HA PRO 30 HA PRO 30 -19.623 -19.053 4.691 243 1HB PRO 30 1HB PRO 30 -22.067 -19.433 3.528 244 2HB PRO 30 2HB PRO 30 -21.727 -18.117 4.634 245 1HG PRO 30 1HG PRO 30 -22.024 -18.037 1.694 246 2HG PRO 30 2HG PRO 30 -22.109 -16.716 2.843 247 1HD PRO 30 1HD PRO 30 -19.911 -17.346 1.111 248 2HD PRO 30 2HD PRO 30 -19.952 -16.098 2.341 249 H ARG 31 H ARG 31 -20.951 -21.263 4.528 250 HA ARG 31 HA ARG 31 -19.472 -22.688 2.464 251 1HB ARG 31 1HB ARG 31 -19.455 -23.073 5.256 252 2HB ARG 31 2HB ARG 31 -20.517 -24.342 4.679 253 1HG ARG 31 1HG ARG 31 -17.752 -23.807 3.499 254 2HG ARG 31 2HG ARG 31 -18.041 -24.963 4.783 255 1HD ARG 31 1HD ARG 31 -18.686 -26.525 3.268 256 2HD ARG 31 2HD ARG 31 -19.974 -25.480 2.704 257 HE ARG 31 HE ARG 31 -17.407 -24.644 1.635 258 1HH1 ARG 31 1HH1 ARG 31 -17.928 -26.108 -1.490 259 2HH1 ARG 31 2HH1 ARG 31 -16.970 -24.987 -0.582 260 1HH2 ARG 31 1HH2 ARG 31 -19.655 -27.263 -0.455 261 2HH2 ARG 31 2HH2 ARG 31 -19.986 -27.003 1.226 262 H ARG 32 H ARG 32 -20.637 -24.096 1.094 263 HA ARG 32 HA ARG 32 -23.503 -23.904 1.405 264 1HB ARG 32 1HB ARG 32 -21.650 -24.562 -0.912 265 2HB ARG 32 2HB ARG 32 -23.341 -25.014 -1.002 266 1HG ARG 32 1HG ARG 32 -24.056 -22.837 -1.229 267 2HG ARG 32 2HG ARG 32 -22.876 -22.218 -0.090 268 1HD ARG 32 1HD ARG 32 -21.084 -22.613 -1.894 269 2HD ARG 32 2HD ARG 32 -22.388 -22.955 -3.013 270 HE ARG 32 HE ARG 32 -21.605 -20.335 -2.016 271 1HH1 ARG 32 1HH1 ARG 32 -24.310 -18.694 -3.490 272 2HH1 ARG 32 2HH1 ARG 32 -22.761 -18.500 -2.739 273 1HH2 ARG 32 1HH2 ARG 32 -25.211 -20.815 -3.762 274 2HH2 ARG 32 2HH2 ARG 32 -24.335 -22.205 -3.213 Start of MODEL 19 1 H THR 1 H THR 1 -27.825 28.075 3.628 2 HA THR 1 HA THR 1 -29.603 26.704 3.473 3 HB THR 1 HB THR 1 -29.005 24.755 2.212 4 HG1 THR 1 1HG THR 1 -27.419 23.472 3.088 5 1HG2 THR 1 1HG2 THR 1 -27.953 26.746 1.137 6 2HG2 THR 1 2HG2 THR 1 -26.528 26.560 2.186 7 3HG2 THR 1 3HG2 THR 1 -26.903 25.319 0.966 8 H SER 2 H SER 2 -30.826 26.493 5.263 9 HA SER 2 HA SER 2 -29.873 24.524 7.191 10 1HB SER 2 1HB SER 2 -30.673 27.192 7.589 11 2HB SER 2 2HB SER 2 -32.061 26.259 8.112 12 HG SER 2 HG SER 2 -29.615 26.592 9.347 13 H SER 3 H SER 3 -32.205 25.276 4.762 14 HA SER 3 HA SER 3 -34.088 23.380 5.909 15 1HB SER 3 1HB SER 3 -34.971 25.621 5.244 16 2HB SER 3 2HB SER 3 -34.443 25.339 3.596 17 HG SER 3 HG SER 3 -36.469 24.592 3.422 18 H ILE 4 H ILE 4 -31.402 22.866 4.482 19 HA ILE 4 HA ILE 4 -32.514 21.071 2.447 20 HB ILE 4 HB ILE 4 -30.037 22.782 2.220 21 1HG1 ILE 4 1HG1 ILE 4 -32.273 23.874 1.804 22 2HG1 ILE 4 2HG1 ILE 4 -31.133 23.937 0.475 23 1HG2 ILE 4 1HG2 ILE 4 -31.042 20.896 0.098 24 2HG2 ILE 4 2HG2 ILE 4 -29.453 21.682 0.250 25 3HG2 ILE 4 3HG2 ILE 4 -29.900 20.359 1.354 26 1HD1 ILE 4 1HD1 ILE 4 -32.308 22.337 -0.798 27 2HD1 ILE 4 2HD1 ILE 4 -33.119 21.654 0.632 28 3HD1 ILE 4 3HD1 ILE 4 -33.623 23.238 -0.005 29 H VAL 5 H VAL 5 -29.585 21.861 4.447 30 HA VAL 5 HA VAL 5 -28.322 19.475 4.356 31 HB VAL 5 HB VAL 5 -28.710 21.414 6.635 32 1HG1 VAL 5 1HG1 VAL 5 -27.394 18.790 6.624 33 2HG1 VAL 5 2HG1 VAL 5 -26.324 20.117 7.136 34 3HG1 VAL 5 3HG1 VAL 5 -27.862 19.834 7.987 35 1HG2 VAL 5 1HG2 VAL 5 -27.516 22.584 5.063 36 2HG2 VAL 5 2HG2 VAL 5 -26.179 21.771 5.910 37 3HG2 VAL 5 3HG2 VAL 5 -26.781 21.121 4.366 38 H HIS 6 H HIS 6 -31.013 20.389 6.613 39 HA HIS 6 HA HIS 6 -31.149 18.075 8.029 40 1HB HIS 6 1HB HIS 6 -32.515 20.332 8.089 41 2HB HIS 6 2HB HIS 6 -33.678 19.425 7.143 42 HD1 HIS 6 1HD HIS 6 -31.669 18.724 10.351 43 HD2 HIS 6 2HD HIS 6 -35.528 18.273 8.767 44 HE1 HIS 6 1HE HIS 6 -33.077 17.657 12.192 45 HE2 HIS 6 2HE HIS 6 -35.450 17.455 11.179 46 H LEU 7 H LEU 7 -33.195 18.814 5.108 47 HA LEU 7 HA LEU 7 -34.258 16.317 4.808 48 1HB LEU 7 1HB LEU 7 -35.151 18.079 3.567 49 2HB LEU 7 2HB LEU 7 -33.601 18.521 2.880 50 HG LEU 7 HG LEU 7 -33.996 15.915 1.975 51 1HD1 LEU 7 1HD1 LEU 7 -36.489 17.027 1.014 52 2HD1 LEU 7 2HD1 LEU 7 -36.150 15.435 1.734 53 3HD1 LEU 7 3HD1 LEU 7 -36.516 16.826 2.782 54 1HD2 LEU 7 1HD2 LEU 7 -32.988 17.475 0.562 55 2HD2 LEU 7 2HD2 LEU 7 -34.553 17.141 -0.216 56 3HD2 LEU 7 3HD2 LEU 7 -34.328 18.636 0.724 57 H CYS 8 H CYS 8 -31.148 17.602 3.469 58 HA CYS 8 HA CYS 8 -30.414 15.453 1.982 59 1HB CYS 8 1HB CYS 8 -29.211 17.804 2.784 60 2HB CYS 8 2HB CYS 8 -28.188 16.597 3.536 61 HG CYS 8 HG CYS 8 -26.971 16.011 1.600 62 H ALA 9 H ALA 9 -30.698 15.802 5.483 63 HA ALA 9 HA ALA 9 -29.178 13.364 5.951 64 1HB ALA 9 1HB ALA 9 -30.571 14.688 8.201 65 2HB ALA 9 2HB ALA 9 -28.871 14.185 8.045 66 3HB ALA 9 3HB ALA 9 -29.411 15.727 7.339 67 H ILE 10 H ILE 10 -31.410 12.937 4.311 68 HA ILE 10 HA ILE 10 -32.938 11.208 6.050 69 HB ILE 10 HB ILE 10 -34.221 13.417 4.442 70 1HG1 ILE 10 1HG1 ILE 10 -34.207 12.798 7.410 71 2HG1 ILE 10 2HG1 ILE 10 -33.413 14.146 6.621 72 1HG2 ILE 10 1HG2 ILE 10 -36.186 12.340 4.411 73 2HG2 ILE 10 2HG2 ILE 10 -35.202 10.873 4.628 74 3HG2 ILE 10 3HG2 ILE 10 -35.955 11.656 6.038 75 1HD1 ILE 10 1HD1 ILE 10 -35.929 14.276 7.698 76 2HD1 ILE 10 2HD1 ILE 10 -35.361 15.335 6.385 77 3HD1 ILE 10 3HD1 ILE 10 -36.318 13.883 6.006 78 H SER 11 H SER 11 -32.819 12.601 2.691 79 HA SER 11 HA SER 11 -33.726 10.362 1.429 80 1HB SER 11 1HB SER 11 -32.869 12.862 0.659 81 2HB SER 11 2HB SER 11 -31.581 11.867 0.009 82 HG SER 11 HG SER 11 -32.960 11.617 -1.625 83 H LEU 12 H LEU 12 -30.383 11.270 2.434 84 HA LEU 12 HA LEU 12 -29.095 9.138 1.150 85 1HB LEU 12 1HB LEU 12 -27.746 10.914 1.739 86 2HB LEU 12 2HB LEU 12 -28.425 11.050 3.348 87 HG LEU 12 HG LEU 12 -27.301 8.819 3.874 88 1HD1 LEU 12 1HD1 LEU 12 -25.269 9.263 1.799 89 2HD1 LEU 12 2HD1 LEU 12 -25.986 7.752 2.409 90 3HD1 LEU 12 3HD1 LEU 12 -26.842 8.709 1.176 91 1HD2 LEU 12 1HD2 LEU 12 -26.192 11.503 3.695 92 2HD2 LEU 12 2HD2 LEU 12 -26.064 10.291 4.992 93 3HD2 LEU 12 3HD2 LEU 12 -24.931 10.249 3.620 94 H ASP 13 H ASP 13 -30.220 9.560 4.577 95 HA ASP 13 HA ASP 13 -29.425 7.273 5.641 96 1HB ASP 13 1HB ASP 13 -31.727 9.073 5.999 97 2HB ASP 13 2HB ASP 13 -32.118 7.435 6.482 98 H ARG 14 H ARG 14 -32.413 7.781 3.630 99 HA ARG 14 HA ARG 14 -33.626 5.456 3.765 100 1HB ARG 14 1HB ARG 14 -33.515 7.590 1.891 101 2HB ARG 14 2HB ARG 14 -33.310 6.142 0.926 102 1HG ARG 14 1HG ARG 14 -35.353 5.321 2.554 103 2HG ARG 14 2HG ARG 14 -35.678 7.042 2.522 104 1HD ARG 14 1HD ARG 14 -35.034 6.010 -0.163 105 2HD ARG 14 2HD ARG 14 -36.401 5.170 0.542 106 HE ARG 14 HE ARG 14 -37.661 7.167 0.485 107 1HH1 ARG 14 1HH1 ARG 14 -36.759 10.292 -0.779 108 2HH1 ARG 14 2HH1 ARG 14 -38.066 9.301 -0.223 109 1HH2 ARG 14 1HH2 ARG 14 -34.596 9.450 -0.806 110 2HH2 ARG 14 2HH2 ARG 14 -34.289 7.832 -0.270 111 H TYR 15 H TYR 15 -30.531 6.107 2.075 112 HA TYR 15 HA TYR 15 -30.437 3.367 1.091 113 1HB TYR 15 1HB TYR 15 -28.463 5.726 0.927 114 2HB TYR 15 2HB TYR 15 -28.434 4.302 -0.094 115 HD1 TYR 15 1HD TYR 15 -31.093 3.947 -1.088 116 HD2 TYR 15 2HD TYR 15 -29.025 7.608 -0.298 117 HE1 TYR 15 1HE TYR 15 -32.551 5.147 -2.791 118 HE2 TYR 15 2HE TYR 15 -30.489 8.796 -2.004 119 HH TYR 15 HH TYR 15 -32.080 7.394 -4.297 120 H TRP 16 H TRP 16 -30.474 3.295 3.838 121 HA TRP 16 HA TRP 16 -27.648 2.777 4.467 122 1HB TRP 16 1HB TRP 16 -28.318 4.705 5.710 123 2HB TRP 16 2HB TRP 16 -29.808 3.940 6.224 124 HD1 TRP 16 HD TRP 16 -29.630 3.196 8.712 125 HE1 TRP 16 1HE TRP 16 -27.810 2.275 10.387 126 HE3 TRP 16 3HE TRP 16 -25.798 3.192 5.370 127 HZ2 TRP 16 2HZ TRP 16 -25.034 1.662 10.131 128 HZ3 TRP 16 3HZ TRP 16 -23.565 2.417 6.163 129 HH2 TRP 16 HH TRP 16 -23.151 1.670 8.453 130 H SER 17 H SER 17 -30.990 2.099 5.751 131 HA SER 17 HA SER 17 -30.448 -0.298 6.850 132 1HB SER 17 1HB SER 17 -32.588 0.699 7.226 133 2HB SER 17 2HB SER 17 -32.951 0.781 5.514 134 HG SER 17 HG SER 17 -32.538 -1.754 6.823 135 H ILE 18 H ILE 18 -31.399 0.413 3.429 136 HA ILE 18 HA ILE 18 -31.616 -2.193 2.545 137 HB ILE 18 HB ILE 18 -30.714 0.293 1.087 138 1HG1 ILE 18 1HG1 ILE 18 -32.896 0.548 2.147 139 2HG1 ILE 18 2HG1 ILE 18 -33.046 0.484 0.402 140 1HG2 ILE 18 1HG2 ILE 18 -32.065 -1.846 -0.422 141 2HG2 ILE 18 2HG2 ILE 18 -30.685 -0.813 -0.864 142 3HG2 ILE 18 3HG2 ILE 18 -30.430 -2.253 0.152 143 1HD1 ILE 18 1HD1 ILE 18 -34.162 -1.317 2.420 144 2HD1 ILE 18 2HD1 ILE 18 -34.573 -1.166 0.695 145 3HD1 ILE 18 3HD1 ILE 18 -33.226 -2.215 1.201 146 H THR 19 H THR 19 -28.717 -0.010 2.565 147 HA THR 19 HA THR 19 -26.942 -1.842 1.465 148 HB THR 19 HB THR 19 -26.643 0.512 3.393 149 HG1 THR 19 1HG THR 19 -27.418 0.568 1.024 150 1HG2 THR 19 1HG2 THR 19 -24.573 -0.746 3.651 151 2HG2 THR 19 2HG2 THR 19 -24.535 -1.140 1.915 152 3HG2 THR 19 3HG2 THR 19 -24.247 0.531 2.455 153 H GLN 20 H GLN 20 -27.724 -1.226 4.947 154 HA GLN 20 HA GLN 20 -25.975 -2.843 6.118 155 1HB GLN 20 1HB GLN 20 -28.517 -1.712 6.779 156 2HB GLN 20 2HB GLN 20 -28.564 -3.382 7.308 157 1HG GLN 20 1HG GLN 20 -26.404 -3.057 8.530 158 2HG GLN 20 2HG GLN 20 -26.354 -1.388 7.999 159 1HE2 GLN 20 1HE2 GLN 20 -28.259 -3.761 9.793 160 2HE2 GLN 20 2HE2 GLN 20 -29.019 -2.663 10.897 161 H ALA 21 H ALA 21 -29.132 -3.909 4.674 162 HA ALA 21 HA ALA 21 -28.971 -6.576 5.301 163 1HB ALA 21 1HB ALA 21 -30.169 -5.038 2.982 164 2HB ALA 21 2HB ALA 21 -30.347 -6.804 3.121 165 3HB ALA 21 3HB ALA 21 -30.990 -5.741 4.396 166 H ILE 22 H ILE 22 -27.507 -4.760 2.546 167 HA ILE 22 HA ILE 22 -26.510 -6.998 1.212 168 HB ILE 22 HB ILE 22 -25.452 -4.170 1.280 169 1HG1 ILE 22 1HG1 ILE 22 -27.726 -3.997 0.688 170 2HG1 ILE 22 2HG1 ILE 22 -26.843 -3.952 -0.825 171 1HG2 ILE 22 1HG2 ILE 22 -23.886 -4.826 -0.143 172 2HG2 ILE 22 2HG2 ILE 22 -24.446 -6.509 0.010 173 3HG2 ILE 22 3HG2 ILE 22 -25.132 -5.454 -1.248 174 1HD1 ILE 22 1HD1 ILE 22 -27.237 -6.481 -1.011 175 2HD1 ILE 22 2HD1 ILE 22 -28.356 -6.313 0.363 176 3HD1 ILE 22 3HD1 ILE 22 -28.687 -5.460 -1.163 177 H GLU 23 H GLU 23 -25.020 -4.828 3.701 178 HA GLU 23 HA GLU 23 -22.614 -6.256 3.721 179 1HB GLU 23 1HB GLU 23 -23.459 -3.844 4.718 180 2HB GLU 23 2HB GLU 23 -23.410 -4.788 6.193 181 1HG GLU 23 1HG GLU 23 -21.046 -5.513 5.564 182 2HG GLU 23 2HG GLU 23 -21.115 -4.394 4.217 183 H TYR 24 H TYR 24 -25.766 -6.821 5.113 184 HA TYR 24 HA TYR 24 -25.012 -8.293 7.379 185 1HB TYR 24 1HB TYR 24 -27.303 -7.294 6.274 186 2HB TYR 24 2HB TYR 24 -27.423 -8.916 5.620 187 HD1 TYR 24 1HD TYR 24 -27.562 -6.876 8.671 188 HD2 TYR 24 2HD TYR 24 -27.827 -10.841 7.087 189 HE1 TYR 24 1HE TYR 24 -28.598 -7.684 10.847 190 HE2 TYR 24 2HE TYR 24 -28.863 -11.636 9.268 191 HH TYR 24 HH TYR 24 -29.957 -10.869 11.123 192 H ASN 25 H ASN 25 -25.320 -9.122 3.915 193 HA ASN 25 HA ASN 25 -24.131 -11.674 4.575 194 1HB ASN 25 1HB ASN 25 -26.855 -11.270 3.529 195 2HB ASN 25 2HB ASN 25 -25.895 -12.227 2.417 196 1HD2 ASN 25 1HD2 ASN 25 -26.677 -11.891 5.866 197 2HD2 ASN 25 2HD2 ASN 25 -26.679 -13.578 6.262 198 H LEU 26 H LEU 26 -22.201 -10.580 3.642 199 HA LEU 26 HA LEU 26 -22.350 -10.458 0.716 200 1HB LEU 26 1HB LEU 26 -22.328 -8.210 1.190 201 2HB LEU 26 2HB LEU 26 -21.360 -8.401 2.638 202 HG LEU 26 HG LEU 26 -19.412 -9.010 1.102 203 1HD1 LEU 26 1HD1 LEU 26 -19.480 -8.551 -1.184 204 2HD1 LEU 26 2HD1 LEU 26 -21.019 -9.391 -0.873 205 3HD1 LEU 26 3HD1 LEU 26 -20.992 -7.621 -1.055 206 1HD2 LEU 26 1HD2 LEU 26 -20.654 -6.281 1.317 207 2HD2 LEU 26 2HD2 LEU 26 -19.223 -6.949 2.139 208 3HD2 LEU 26 3HD2 LEU 26 -19.138 -6.519 0.414 209 H LYS 27 H LYS 27 -19.912 -10.236 3.408 210 HA LYS 27 HA LYS 27 -18.287 -12.137 1.899 211 1HB LYS 27 1HB LYS 27 -17.184 -10.062 2.471 212 2HB LYS 27 2HB LYS 27 -17.623 -10.231 4.159 213 1HG LYS 27 1HG LYS 27 -16.095 -11.985 4.532 214 2HG LYS 27 2HG LYS 27 -16.080 -12.475 2.850 215 1HD LYS 27 1HD LYS 27 -14.094 -11.350 2.746 216 2HD LYS 27 2HD LYS 27 -15.089 -9.912 2.635 217 1HE LYS 27 1HE LYS 27 -13.705 -9.337 4.431 218 2HE LYS 27 2HE LYS 27 -15.074 -10.017 5.288 219 1HZ LYS 27 1HZ LYS 27 -13.743 -11.553 6.091 220 2HZ LYS 27 2HZ LYS 27 -13.338 -12.079 4.599 221 3HZ LYS 27 3HZ LYS 27 -12.462 -10.901 5.315 222 H ARG 28 H ARG 28 -20.213 -13.656 2.620 223 HA ARG 28 HA ARG 28 -19.191 -14.986 4.970 224 1HB ARG 28 1HB ARG 28 -21.809 -13.658 4.772 225 2HB ARG 28 2HB ARG 28 -21.998 -15.366 5.114 226 1HG ARG 28 1HG ARG 28 -19.940 -14.721 6.839 227 2HG ARG 28 2HG ARG 28 -20.828 -13.211 6.811 228 1HD ARG 28 1HD ARG 28 -22.629 -14.095 7.937 229 2HD ARG 28 2HD ARG 28 -22.572 -15.606 7.051 230 HE ARG 28 HE ARG 28 -21.181 -14.995 9.572 231 1HH1 ARG 28 1HH1 ARG 28 -19.860 -18.217 9.791 232 2HH1 ARG 28 2HH1 ARG 28 -20.126 -16.725 10.628 233 1HH2 ARG 28 1HH2 ARG 28 -20.576 -18.460 7.596 234 2HH2 ARG 28 2HH2 ARG 28 -21.375 -17.149 6.796 235 H THR 29 H THR 29 -20.315 -17.287 5.138 236 HA THR 29 HA THR 29 -20.743 -18.274 2.393 237 HB THR 29 HB THR 29 -19.296 -19.506 4.794 238 HG1 THR 29 1HG THR 29 -18.580 -18.838 2.027 239 1HG2 THR 29 1HG2 THR 29 -18.665 -21.210 2.884 240 2HG2 THR 29 2HG2 THR 29 -20.225 -21.422 3.715 241 3HG2 THR 29 3HG2 THR 29 -20.167 -20.651 2.111 242 HA PRO 30 HA PRO 30 -24.557 -19.140 4.504 243 1HB PRO 30 1HB PRO 30 -26.207 -18.613 2.390 244 2HB PRO 30 2HB PRO 30 -25.768 -17.410 3.586 245 1HG PRO 30 1HG PRO 30 -24.798 -17.703 0.809 246 2HG PRO 30 2HG PRO 30 -24.710 -16.304 1.860 247 1HD PRO 30 1HD PRO 30 -22.572 -18.105 1.217 248 2HD PRO 30 2HD PRO 30 -22.515 -16.776 2.357 249 H ARG 31 H ARG 31 -26.554 -20.564 3.737 250 HA ARG 31 HA ARG 31 -25.637 -22.537 1.894 251 1HB ARG 31 1HB ARG 31 -24.903 -22.985 4.499 252 2HB ARG 31 2HB ARG 31 -26.491 -23.724 4.515 253 1HG ARG 31 1HG ARG 31 -25.910 -25.247 2.723 254 2HG ARG 31 2HG ARG 31 -24.443 -24.363 2.352 255 1HD ARG 31 1HD ARG 31 -24.482 -25.192 5.170 256 2HD ARG 31 2HD ARG 31 -24.692 -26.571 4.109 257 HE ARG 31 HE ARG 31 -22.536 -24.749 3.286 258 1HH1 ARG 31 1HH1 ARG 31 -20.058 -27.046 4.158 259 2HH1 ARG 31 2HH1 ARG 31 -20.402 -25.564 3.329 260 1HH2 ARG 31 1HH2 ARG 31 -21.764 -28.202 5.225 261 2HH2 ARG 31 2HH2 ARG 31 -23.382 -27.583 5.192 262 H ARG 32 H ARG 32 -27.473 -22.614 0.621 263 HA ARG 32 HA ARG 32 -29.899 -23.391 1.902 264 1HB ARG 32 1HB ARG 32 -29.446 -20.623 0.973 265 2HB ARG 32 2HB ARG 32 -30.839 -21.350 0.198 266 1HG ARG 32 1HG ARG 32 -30.419 -21.462 3.215 267 2HG ARG 32 2HG ARG 32 -31.261 -20.136 2.440 268 1HD ARG 32 1HD ARG 32 -32.499 -22.363 1.299 269 2HD ARG 32 2HD ARG 32 -32.176 -22.915 2.931 270 HE ARG 32 HE ARG 32 -33.229 -20.428 3.393 271 1HH1 ARG 32 1HH1 ARG 32 -36.641 -20.883 2.824 272 2HH1 ARG 32 2HH1 ARG 32 -35.443 -19.908 3.608 273 1HH2 ARG 32 1HH2 ARG 32 -35.997 -22.716 1.555 274 2HH2 ARG 32 2HH2 ARG 32 -34.318 -23.110 1.393 Start of MODEL 20 1 H THR 1 H THR 1 -31.062 27.733 6.300 2 HA THR 1 HA THR 1 -31.302 26.336 4.552 3 HB THR 1 HB THR 1 -29.541 24.710 4.575 4 HG1 THR 1 1HG THR 1 -28.961 23.832 6.779 5 1HG2 THR 1 1HG2 THR 1 -28.392 25.935 6.990 6 2HG2 THR 1 2HG2 THR 1 -27.827 26.042 5.305 7 3HG2 THR 1 3HG2 THR 1 -29.071 27.167 5.900 8 H SER 2 H SER 2 -33.335 25.711 4.080 9 HA SER 2 HA SER 2 -34.330 23.452 5.631 10 1HB SER 2 1HB SER 2 -35.564 25.947 4.735 11 2HB SER 2 2HB SER 2 -36.471 24.568 4.146 12 HG SER 2 HG SER 2 -36.218 25.553 6.741 13 H SER 3 H SER 3 -33.128 24.534 2.583 14 HA SER 3 HA SER 3 -34.476 22.350 1.215 15 1HB SER 3 1HB SER 3 -34.157 24.960 0.429 16 2HB SER 3 2HB SER 3 -32.754 24.235 -0.330 17 HG SER 3 HG SER 3 -34.728 22.533 -0.850 18 H ILE 4 H ILE 4 -32.196 22.103 3.180 19 HA ILE 4 HA ILE 4 -30.399 20.671 1.383 20 HB ILE 4 HB ILE 4 -29.611 22.786 3.370 21 1HG1 ILE 4 1HG1 ILE 4 -28.033 23.069 1.163 22 2HG1 ILE 4 2HG1 ILE 4 -29.493 22.429 0.435 23 1HG2 ILE 4 1HG2 ILE 4 -28.303 20.260 2.944 24 2HG2 ILE 4 2HG2 ILE 4 -27.279 21.583 2.334 25 3HG2 ILE 4 3HG2 ILE 4 -27.851 21.604 4.020 26 1HD1 ILE 4 1HD1 ILE 4 -29.617 24.881 0.516 27 2HD1 ILE 4 2HD1 ILE 4 -30.837 24.192 1.614 28 3HD1 ILE 4 3HD1 ILE 4 -29.325 24.863 2.272 29 H VAL 5 H VAL 5 -31.330 21.425 4.804 30 HA VAL 5 HA VAL 5 -30.249 19.185 5.974 31 HB VAL 5 HB VAL 5 -32.709 20.817 6.603 32 1HG1 VAL 5 1HG1 VAL 5 -33.309 19.162 7.999 33 2HG1 VAL 5 2HG1 VAL 5 -31.742 18.333 7.838 34 3HG1 VAL 5 3HG1 VAL 5 -31.923 19.678 8.990 35 1HG2 VAL 5 1HG2 VAL 5 -29.960 20.797 7.893 36 2HG2 VAL 5 2HG2 VAL 5 -30.490 21.959 6.653 37 3HG2 VAL 5 3HG2 VAL 5 -31.303 21.914 8.236 38 H HIS 6 H HIS 6 -33.665 19.621 4.795 39 HA HIS 6 HA HIS 6 -34.608 17.156 5.271 40 1HB HIS 6 1HB HIS 6 -35.554 19.319 4.015 41 2HB HIS 6 2HB HIS 6 -35.233 18.336 2.600 42 HD1 HIS 6 1HD HIS 6 -37.049 17.926 5.961 43 HD2 HIS 6 2HD HIS 6 -37.308 16.683 1.963 44 HE1 HIS 6 1HE HIS 6 -39.195 16.558 5.775 45 HE2 HIS 6 2HE HIS 6 -39.328 15.868 3.284 46 H LEU 7 H LEU 7 -32.583 18.165 2.450 47 HA LEU 7 HA LEU 7 -32.645 15.731 1.121 48 1HB LEU 7 1HB LEU 7 -31.620 18.192 0.657 49 2HB LEU 7 2HB LEU 7 -30.148 17.310 1.016 50 HG LEU 7 HG LEU 7 -32.111 16.220 -0.988 51 1HD1 LEU 7 1HD1 LEU 7 -29.946 18.247 -1.613 52 2HD1 LEU 7 2HD1 LEU 7 -31.001 17.415 -2.782 53 3HD1 LEU 7 3HD1 LEU 7 -31.697 18.567 -1.618 54 1HD2 LEU 7 1HD2 LEU 7 -29.106 15.969 -0.682 55 2HD2 LEU 7 2HD2 LEU 7 -30.321 14.746 -0.243 56 3HD2 LEU 7 3HD2 LEU 7 -30.094 15.202 -1.948 57 H CYS 8 H CYS 8 -29.916 17.004 3.163 58 HA CYS 8 HA CYS 8 -28.529 14.667 3.307 59 1HB CYS 8 1HB CYS 8 -28.663 17.146 4.925 60 2HB CYS 8 2HB CYS 8 -28.001 15.754 5.758 61 HG CYS 8 HG CYS 8 -25.863 16.577 4.930 62 H ALA 9 H ALA 9 -31.575 15.605 4.807 63 HA ALA 9 HA ALA 9 -31.530 13.814 6.977 64 1HB ALA 9 1HB ALA 9 -34.196 14.285 5.989 65 2HB ALA 9 2HB ALA 9 -33.398 14.978 7.422 66 3HB ALA 9 3HB ALA 9 -33.250 15.786 5.843 67 H ILE 10 H ILE 10 -32.455 13.547 3.523 68 HA ILE 10 HA ILE 10 -33.553 10.924 3.891 69 HB ILE 10 HB ILE 10 -32.908 12.556 1.435 70 1HG1 ILE 10 1HG1 ILE 10 -35.632 11.922 2.578 71 2HG1 ILE 10 2HG1 ILE 10 -34.720 13.329 3.089 72 1HG2 ILE 10 1HG2 ILE 10 -33.617 10.901 0.076 73 2HG2 ILE 10 2HG2 ILE 10 -33.070 9.863 1.415 74 3HG2 ILE 10 3HG2 ILE 10 -34.793 10.278 1.258 75 1HD1 ILE 10 1HD1 ILE 10 -36.242 12.924 0.638 76 2HD1 ILE 10 2HD1 ILE 10 -35.530 14.424 1.280 77 3HD1 ILE 10 3HD1 ILE 10 -34.555 13.342 0.256 78 H SER 11 H SER 11 -30.571 12.344 2.393 79 HA SER 11 HA SER 11 -29.513 9.764 1.916 80 1HB SER 11 1HB SER 11 -28.969 11.772 0.526 81 2HB SER 11 2HB SER 11 -28.146 12.493 1.895 82 HG SER 11 HG SER 11 -27.340 10.349 0.218 83 H LEU 12 H LEU 12 -30.003 9.208 4.353 84 HA LEU 12 HA LEU 12 -27.499 9.154 5.687 85 1HB LEU 12 1HB LEU 12 -29.321 11.307 6.318 86 2HB LEU 12 2HB LEU 12 -29.088 10.269 7.710 87 HG LEU 12 HG LEU 12 -26.893 11.637 6.129 88 1HD1 LEU 12 1HD1 LEU 12 -27.361 13.422 7.364 89 2HD1 LEU 12 2HD1 LEU 12 -28.570 12.524 8.314 90 3HD1 LEU 12 3HD1 LEU 12 -26.856 12.493 8.796 91 1HD2 LEU 12 1HD2 LEU 12 -25.689 10.850 8.411 92 2HD2 LEU 12 2HD2 LEU 12 -26.844 9.513 8.195 93 3HD2 LEU 12 3HD2 LEU 12 -25.679 9.900 6.906 94 H ASP 13 H ASP 13 -31.090 8.953 6.203 95 HA ASP 13 HA ASP 13 -30.792 6.747 7.925 96 1HB ASP 13 1HB ASP 13 -32.805 8.550 7.333 97 2HB ASP 13 2HB ASP 13 -33.392 7.118 6.511 98 H ARG 14 H ARG 14 -31.575 7.300 4.449 99 HA ARG 14 HA ARG 14 -32.525 4.906 3.720 100 1HB ARG 14 1HB ARG 14 -31.997 7.039 2.306 101 2HB ARG 14 2HB ARG 14 -30.406 6.345 2.065 102 1HG ARG 14 1HG ARG 14 -32.516 4.360 1.571 103 2HG ARG 14 2HG ARG 14 -32.739 5.782 0.571 104 1HD ARG 14 1HD ARG 14 -30.377 5.603 -0.227 105 2HD ARG 14 2HD ARG 14 -30.131 4.199 0.792 106 HE ARG 14 HE ARG 14 -32.330 3.459 -0.687 107 1HH1 ARG 14 1HH1 ARG 14 -30.931 2.623 -3.772 108 2HH1 ARG 14 2HH1 ARG 14 -32.290 2.415 -2.719 109 1HH2 ARG 14 1HH2 ARG 14 -29.151 3.961 -3.119 110 2HH2 ARG 14 2HH2 ARG 14 -29.182 4.752 -1.578 111 H TYR 15 H TYR 15 -29.225 5.746 4.704 112 HA TYR 15 HA TYR 15 -28.038 3.368 3.627 113 1HB TYR 15 1HB TYR 15 -27.275 5.559 5.652 114 2HB TYR 15 2HB TYR 15 -26.151 4.298 5.185 115 HD1 TYR 15 1HD TYR 15 -27.806 7.394 4.151 116 HD2 TYR 15 2HD TYR 15 -25.202 4.237 2.903 117 HE1 TYR 15 1HE TYR 15 -27.056 8.789 2.162 118 HE2 TYR 15 2HE TYR 15 -24.461 5.643 0.918 119 HH TYR 15 HH TYR 15 -24.444 8.431 0.594 120 H TRP 16 H TRP 16 -29.525 4.414 6.694 121 HA TRP 16 HA TRP 16 -28.487 2.698 8.499 122 1HB TRP 16 1HB TRP 16 -30.147 4.359 9.048 123 2HB TRP 16 2HB TRP 16 -31.372 3.512 8.124 124 HD1 TRP 16 HD TRP 16 -32.997 2.329 9.779 125 HE1 TRP 16 1HE TRP 16 -32.895 0.999 12.056 126 HE3 TRP 16 3HE TRP 16 -27.976 2.795 10.430 127 HZ2 TRP 16 2HZ TRP 16 -30.773 0.307 13.834 128 HZ3 TRP 16 3HZ TRP 16 -26.968 1.764 12.464 129 HH2 TRP 16 HH TRP 16 -28.281 0.553 14.133 130 H SER 17 H SER 17 -31.476 1.964 6.547 131 HA SER 17 HA SER 17 -31.642 -0.653 7.173 132 1HB SER 17 1HB SER 17 -32.450 0.981 4.779 133 2HB SER 17 2HB SER 17 -32.586 -0.761 4.650 134 HG SER 17 HG SER 17 -33.692 0.718 6.874 135 H ILE 18 H ILE 18 -30.000 0.751 4.237 136 HA ILE 18 HA ILE 18 -29.042 -1.489 3.098 137 HB ILE 18 HB ILE 18 -27.743 1.209 3.436 138 1HG1 ILE 18 1HG1 ILE 18 -29.812 1.377 2.269 139 2HG1 ILE 18 2HG1 ILE 18 -28.530 1.493 1.079 140 1HG2 ILE 18 1HG2 ILE 18 -26.945 -0.923 1.441 141 2HG2 ILE 18 2HG2 ILE 18 -26.194 0.670 1.701 142 3HG2 ILE 18 3HG2 ILE 18 -26.065 -0.589 2.952 143 1HD1 ILE 18 1HD1 ILE 18 -28.815 -1.055 0.730 144 2HD1 ILE 18 2HD1 ILE 18 -30.321 -0.895 1.666 145 3HD1 ILE 18 3HD1 ILE 18 -30.128 -0.012 0.132 146 H THR 19 H THR 19 -27.249 0.406 5.635 147 HA THR 19 HA THR 19 -25.122 -1.230 5.985 148 HB THR 19 HB THR 19 -26.813 0.414 7.920 149 HG1 THR 19 1HG THR 19 -25.421 1.891 7.034 150 1HG2 THR 19 1HG2 THR 19 -25.200 0.159 9.629 151 2HG2 THR 19 2HG2 THR 19 -25.311 -1.505 9.007 152 3HG2 THR 19 3HG2 THR 19 -23.966 -0.454 8.502 153 H GLN 20 H GLN 20 -28.259 -1.591 7.778 154 HA GLN 20 HA GLN 20 -27.606 -3.813 9.154 155 1HB GLN 20 1HB GLN 20 -29.919 -2.337 8.686 156 2HB GLN 20 2HB GLN 20 -30.350 -3.912 8.049 157 1HG GLN 20 1HG GLN 20 -29.864 -5.005 10.157 158 2HG GLN 20 2HG GLN 20 -29.069 -3.579 10.794 159 1HE2 GLN 20 1HE2 GLN 20 -32.143 -4.917 9.712 160 2HE2 GLN 20 2HE2 GLN 20 -33.187 -3.896 10.645 161 H ALA 21 H ALA 21 -29.199 -3.731 5.882 162 HA ALA 21 HA ALA 21 -28.340 -6.517 5.541 163 1HB ALA 21 1HB ALA 21 -30.100 -6.506 3.729 164 2HB ALA 21 2HB ALA 21 -30.735 -6.245 5.371 165 3HB ALA 21 3HB ALA 21 -30.552 -4.868 4.259 166 H ILE 22 H ILE 22 -26.140 -5.244 5.273 167 HA ILE 22 HA ILE 22 -25.858 -3.873 2.782 168 HB ILE 22 HB ILE 22 -24.556 -3.714 5.085 169 1HG1 ILE 22 1HG1 ILE 22 -22.930 -3.322 2.587 170 2HG1 ILE 22 2HG1 ILE 22 -24.402 -2.399 2.816 171 1HG2 ILE 22 1HG2 ILE 22 -22.657 -5.443 3.495 172 2HG2 ILE 22 2HG2 ILE 22 -22.496 -4.853 5.167 173 3HG2 ILE 22 3HG2 ILE 22 -23.711 -6.094 4.774 174 1HD1 ILE 22 1HD1 ILE 22 -21.827 -2.286 4.350 175 2HD1 ILE 22 2HD1 ILE 22 -22.932 -0.970 3.885 176 3HD1 ILE 22 3HD1 ILE 22 -23.328 -2.017 5.269 177 H GLU 23 H GLU 23 -25.204 -7.163 4.076 178 HA GLU 23 HA GLU 23 -23.759 -8.096 1.941 179 1HB GLU 23 1HB GLU 23 -25.048 -9.169 4.284 180 2HB GLU 23 2HB GLU 23 -25.443 -10.210 2.931 181 1HG GLU 23 1HG GLU 23 -22.819 -9.925 2.397 182 2HG GLU 23 2HG GLU 23 -22.741 -9.571 4.112 183 H TYR 24 H TYR 24 -27.167 -7.312 2.219 184 HA TYR 24 HA TYR 24 -28.274 -9.001 0.330 185 1HB TYR 24 1HB TYR 24 -29.419 -7.362 1.906 186 2HB TYR 24 2HB TYR 24 -28.743 -6.026 0.995 187 HD1 TYR 24 1HD TYR 24 -29.998 -5.049 -0.715 188 HD2 TYR 24 2HD TYR 24 -30.942 -9.028 0.543 189 HE1 TYR 24 1HE TYR 24 -32.047 -5.046 -2.219 190 HE2 TYR 24 2HE TYR 24 -32.988 -9.011 -0.966 191 HH TYR 24 HH TYR 24 -34.517 -6.944 -1.901 192 H ASN 25 H ASN 25 -26.421 -5.946 -0.063 193 HA ASN 25 HA ASN 25 -26.253 -6.603 -2.878 194 1HB ASN 25 1HB ASN 25 -27.619 -4.269 -1.726 195 2HB ASN 25 2HB ASN 25 -26.292 -3.756 -2.749 196 1HD2 ASN 25 1HD2 ASN 25 -29.446 -5.005 -2.589 197 2HD2 ASN 25 2HD2 ASN 25 -29.745 -5.256 -4.277 198 H LEU 26 H LEU 26 -24.049 -7.301 -2.212 199 HA LEU 26 HA LEU 26 -22.301 -5.012 -1.631 200 1HB LEU 26 1HB LEU 26 -22.194 -6.188 0.334 201 2HB LEU 26 2HB LEU 26 -22.422 -7.743 -0.441 202 HG LEU 26 HG LEU 26 -20.096 -7.546 -1.379 203 1HD1 LEU 26 1HD1 LEU 26 -18.864 -5.710 -1.173 204 2HD1 LEU 26 2HD1 LEU 26 -20.310 -4.891 -0.535 205 3HD1 LEU 26 3HD1 LEU 26 -19.144 -5.638 0.583 206 1HD2 LEU 26 1HD2 LEU 26 -20.062 -9.006 0.355 207 2HD2 LEU 26 2HD2 LEU 26 -19.064 -7.725 1.084 208 3HD2 LEU 26 3HD2 LEU 26 -20.791 -7.851 1.496 209 H LYS 27 H LYS 27 -22.089 -8.455 -2.788 210 HA LYS 27 HA LYS 27 -20.462 -7.415 -5.003 211 1HB LYS 27 1HB LYS 27 -19.921 -9.471 -3.043 212 2HB LYS 27 2HB LYS 27 -19.935 -10.169 -4.650 213 1HG LYS 27 1HG LYS 27 -18.521 -7.544 -4.412 214 2HG LYS 27 2HG LYS 27 -17.770 -8.878 -3.559 215 1HD LYS 27 1HD LYS 27 -18.688 -9.399 -6.378 216 2HD LYS 27 2HD LYS 27 -17.285 -8.370 -6.174 217 1HE LYS 27 1HE LYS 27 -16.164 -10.132 -4.817 218 2HE LYS 27 2HE LYS 27 -17.579 -11.157 -4.953 219 1HZ LYS 27 1HZ LYS 27 -15.539 -11.182 -6.651 220 2HZ LYS 27 2HZ LYS 27 -17.039 -11.709 -7.024 221 3HZ LYS 27 3HZ LYS 27 -16.572 -10.205 -7.455 222 H ARG 28 H ARG 28 -22.587 -7.002 -6.064 223 HA ARG 28 HA ARG 28 -23.379 -9.433 -7.402 224 1HB ARG 28 1HB ARG 28 -25.011 -8.901 -5.479 225 2HB ARG 28 2HB ARG 28 -25.444 -7.441 -6.346 226 1HG ARG 28 1HG ARG 28 -25.515 -9.772 -8.128 227 2HG ARG 28 2HG ARG 28 -26.533 -10.029 -6.725 228 1HD ARG 28 1HD ARG 28 -27.127 -7.386 -7.426 229 2HD ARG 28 2HD ARG 28 -26.892 -8.149 -8.986 230 HE ARG 28 HE ARG 28 -28.583 -9.684 -7.128 231 1HH1 ARG 28 1HH1 ARG 28 -31.451 -9.080 -9.022 232 2HH1 ARG 28 2HH1 ARG 28 -30.765 -10.004 -7.728 233 1HH2 ARG 28 1HH2 ARG 28 -30.154 -7.518 -10.148 234 2HH2 ARG 28 2HH2 ARG 28 -28.501 -7.276 -9.693 235 H THR 29 H THR 29 -23.063 -9.001 -9.563 236 HA THR 29 HA THR 29 -24.028 -6.453 -10.605 237 HB THR 29 HB THR 29 -21.830 -6.125 -11.792 238 HG1 THR 29 1HG THR 29 -20.112 -7.582 -10.711 239 1HG2 THR 29 1HG2 THR 29 -21.483 -6.506 -8.771 240 2HG2 THR 29 2HG2 THR 29 -20.430 -5.536 -9.828 241 3HG2 THR 29 3HG2 THR 29 -22.112 -5.029 -9.539 242 HA PRO 30 HA PRO 30 -25.255 -8.918 -13.893 243 1HB PRO 30 1HB PRO 30 -25.315 -7.151 -15.977 244 2HB PRO 30 2HB PRO 30 -26.577 -7.246 -14.765 245 1HG PRO 30 1HG PRO 30 -24.454 -5.212 -15.076 246 2HG PRO 30 2HG PRO 30 -25.948 -5.110 -14.165 247 1HD PRO 30 1HD PRO 30 -23.317 -5.537 -13.105 248 2HD PRO 30 2HD PRO 30 -24.822 -5.550 -12.209 249 H ARG 31 H ARG 31 -24.812 -9.565 -16.298 250 HA ARG 31 HA ARG 31 -21.905 -9.699 -16.430 251 1HB ARG 31 1HB ARG 31 -24.045 -11.779 -16.869 252 2HB ARG 31 2HB ARG 31 -22.622 -11.874 -17.887 253 1HG ARG 31 1HG ARG 31 -21.391 -11.515 -15.487 254 2HG ARG 31 2HG ARG 31 -22.868 -12.270 -14.920 255 1HD ARG 31 1HD ARG 31 -21.527 -13.555 -17.285 256 2HD ARG 31 2HD ARG 31 -20.707 -13.702 -15.743 257 HE ARG 31 HE ARG 31 -23.234 -14.967 -16.502 258 1HH1 ARG 31 1HH1 ARG 31 -23.684 -16.408 -13.356 259 2HH1 ARG 31 2HH1 ARG 31 -24.205 -16.397 -15.007 260 1HH2 ARG 31 1HH2 ARG 31 -22.000 -14.969 -12.660 261 2HH2 ARG 31 2HH2 ARG 31 -21.264 -13.885 -13.794 262 H ARG 32 H ARG 32 -21.119 -8.543 -18.162 263 HA ARG 32 HA ARG 32 -22.960 -7.966 -20.297 264 1HB ARG 32 1HB ARG 32 -21.630 -6.108 -19.310 265 2HB ARG 32 2HB ARG 32 -20.138 -6.935 -19.712 266 1HG ARG 32 1HG ARG 32 -21.320 -6.905 -22.181 267 2HG ARG 32 2HG ARG 32 -22.033 -5.457 -21.500 268 1HD ARG 32 1HD ARG 32 -19.986 -4.769 -22.587 269 2HD ARG 32 2HD ARG 32 -19.685 -4.684 -20.863 270 HE ARG 32 HE ARG 32 -18.975 -7.264 -22.094 271 1HH1 ARG 32 1HH1 ARG 32 -15.560 -6.684 -21.666 272 2HH1 ARG 32 2HH1 ARG 32 -16.769 -7.859 -22.065 273 1HH2 ARG 32 1HH2 ARG 32 -16.181 -4.506 -21.160 274 2HH2 ARG 32 2HH2 ARG 32 -17.853 -4.055 -21.182
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