NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
630178 | 5zmb | 36175 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 10 H MET 10 1.808 0.000 0.855 2 HA MET 10 HA MET 10 1.616 -0.689 -1.924 3 HB2 MET 10 2HB MET 10 2.283 2.124 -1.090 4 HB3 MET 10 3HB MET 10 2.885 1.450 -2.599 5 HG2 MET 10 2HG MET 10 0.700 1.184 -3.461 6 HG3 MET 10 3HG MET 10 -0.031 1.505 -1.890 7 HE1 MET 10 1HE MET 10 -1.497 3.434 -1.995 8 HE2 MET 10 2HE MET 10 -0.277 3.931 -0.822 9 HE3 MET 10 3HE MET 10 -0.855 5.077 -2.032 10 H SER 11 H SER 11 2.870 -2.114 -0.081 11 HA SER 11 HA SER 11 5.720 -1.407 -0.274 12 HB2 SER 11 2HB SER 11 6.099 -2.819 1.652 13 HB3 SER 11 3HB SER 11 4.773 -1.716 2.023 14 HG SER 11 HG SER 11 3.325 -3.378 1.704 15 H GLU 12 H GLU 12 3.343 -3.894 -0.923 16 HA GLU 12 HA GLU 12 5.357 -5.314 -2.526 17 HB2 GLU 12 2HB GLU 12 3.235 -6.647 -0.836 18 HB3 GLU 12 3HB GLU 12 4.418 -7.459 -1.852 19 HG2 GLU 12 2HG GLU 12 6.214 -6.511 -0.435 20 HG3 GLU 12 3HG GLU 12 4.973 -5.842 0.623 21 H THR 13 H THR 13 4.574 -4.359 -4.410 22 HA THR 13 HA THR 13 1.769 -4.770 -5.108 23 HB THR 13 HB THR 13 3.654 -3.527 -7.044 24 HG1 THR 13 HG1 THR 13 2.764 -2.220 -4.669 25 HG21 THR 13 1HG2 THR 13 0.916 -2.689 -6.088 26 HG22 THR 13 2HG2 THR 13 1.201 -3.784 -7.441 27 HG23 THR 13 3HG2 THR 13 1.768 -2.117 -7.521 28 H ILE 14 H ILE 14 1.092 -5.921 -6.925 29 HA ILE 14 HA ILE 14 3.104 -7.525 -8.328 30 HB ILE 14 HB ILE 14 0.587 -8.729 -7.175 31 HG12 ILE 14 2HG1 ILE 14 2.258 -8.125 -5.430 32 HG13 ILE 14 3HG1 ILE 14 1.998 -9.861 -5.566 33 HG21 ILE 14 1HG2 ILE 14 1.721 -10.865 -7.820 34 HG22 ILE 14 2HG2 ILE 14 1.230 -9.852 -9.176 35 HG23 ILE 14 3HG2 ILE 14 2.920 -9.897 -8.677 36 HD11 ILE 14 1HD1 ILE 14 4.407 -8.852 -5.361 37 HD12 ILE 14 2HD1 ILE 14 4.087 -10.244 -6.396 38 HD13 ILE 14 3HD1 ILE 14 4.225 -8.634 -7.102 39 HA PRO 15 HA PRO 15 0.365 -5.809 -11.495 40 HB2 PRO 15 2HB PRO 15 2.138 -6.168 -13.520 41 HB3 PRO 15 3HB PRO 15 2.215 -4.796 -12.408 42 HG2 PRO 15 2HG PRO 15 3.785 -7.345 -12.383 43 HG3 PRO 15 3HG PRO 15 4.342 -5.685 -12.103 44 HD2 PRO 15 2HD PRO 15 3.859 -7.420 -10.081 45 HD3 PRO 15 3HD PRO 15 3.601 -5.671 -9.920 46 H VAL 16 H VAL 16 -1.053 -6.850 -12.780 47 HA VAL 16 HA VAL 16 -0.407 -9.563 -13.703 48 HB VAL 16 HB VAL 16 -2.686 -10.321 -13.146 49 HG11 VAL 16 1HG1 VAL 16 -0.651 -10.527 -11.597 50 HG12 VAL 16 2HG1 VAL 16 -1.432 -9.275 -10.630 51 HG13 VAL 16 3HG1 VAL 16 -2.248 -10.814 -10.907 52 HG21 VAL 16 1HG2 VAL 16 -2.981 -7.840 -11.478 53 HG22 VAL 16 2HG2 VAL 16 -3.610 -7.946 -13.122 54 HG23 VAL 16 3HG2 VAL 16 -4.203 -9.047 -11.878 55 H SER 17 H SER 17 -1.556 -10.252 -15.561 56 HA SER 17 HA SER 17 -2.928 -8.092 -17.022 57 HB2 SER 17 2HB SER 17 -1.272 -10.180 -18.419 58 HB3 SER 17 3HB SER 17 -1.791 -8.602 -19.011 59 HG SER 17 HG SER 17 -0.052 -8.856 -16.801 60 H VAL 18 H VAL 18 -4.790 -8.609 -18.041 61 HA VAL 18 HA VAL 18 -5.593 -11.446 -18.052 62 HB VAL 18 HB VAL 18 -7.481 -9.138 -17.592 63 HG11 VAL 18 1HG1 VAL 18 -8.702 -11.307 -16.583 64 HG12 VAL 18 2HG1 VAL 18 -8.888 -10.779 -18.257 65 HG13 VAL 18 3HG1 VAL 18 -7.749 -12.066 -17.858 66 HG21 VAL 18 1HG2 VAL 18 -5.670 -10.446 -15.751 67 HG22 VAL 18 2HG2 VAL 18 -6.680 -9.020 -15.515 68 HG23 VAL 18 3HG2 VAL 18 -7.352 -10.629 -15.255 69 H GLN 19 H GLN 19 -6.584 -12.204 -19.861 70 HA GLN 19 HA GLN 19 -6.815 -10.318 -22.107 71 HB2 GLN 19 2HB GLN 19 -6.182 -13.257 -21.995 72 HB3 GLN 19 3HB GLN 19 -6.713 -12.489 -23.484 73 HG2 GLN 19 2HG GLN 19 -4.762 -10.809 -22.886 74 HG3 GLN 19 3HG GLN 19 -4.156 -12.214 -22.011 75 HE21 GLN 19 1HE2 GLN 19 -2.556 -11.440 -23.893 76 HE22 GLN 19 2HE2 GLN 19 -2.657 -12.423 -25.311 77 H CYS 20 H CYS 20 -8.694 -10.116 -23.208 78 HA CYS 20 HA CYS 20 -10.893 -11.951 -22.563 79 HB2 CYS 20 2HB CYS 20 -11.139 -8.936 -22.617 80 HB3 CYS 20 3HB CYS 20 -12.449 -10.077 -22.338 81 HG CYS 20 HG CYS 20 -10.002 -9.072 -20.234 82 H CYS 21 H CYS 21 -12.486 -12.161 -24.172 83 HA CYS 21 HA CYS 21 -11.551 -12.019 -26.817 84 HB2 CYS 21 2HB CYS 21 -13.429 -13.488 -25.728 85 HB3 CYS 21 3HB CYS 21 -14.480 -12.158 -26.199 86 HG CYS 21 HG CYS 21 -14.792 -14.065 -28.148 87 H GLU 22 H GLU 22 -13.096 -9.693 -24.830 88 HA GLU 22 HA GLU 22 -13.966 -8.074 -27.094 89 HB2 GLU 22 2HB GLU 22 -15.204 -8.420 -24.799 90 HB3 GLU 22 3HB GLU 22 -14.120 -7.148 -24.254 91 HG2 GLU 22 2HG GLU 22 -15.937 -5.924 -24.893 92 HG3 GLU 22 3HG GLU 22 -14.984 -5.900 -26.375 93 H GLY 23 H GLY 23 -11.343 -8.345 -24.874 94 HA2 GLY 23 2HA GLY 23 -9.620 -6.669 -26.228 95 HA3 GLY 23 3HA GLY 23 -10.415 -5.653 -25.036 96 H ARG 24 H ARG 24 -8.431 -5.297 -23.971 97 HA ARG 24 HA ARG 24 -7.561 -7.587 -22.338 98 HB2 ARG 24 2HB ARG 24 -5.268 -6.850 -22.472 99 HB3 ARG 24 3HB ARG 24 -5.896 -7.049 -24.102 100 HG2 ARG 24 2HG ARG 24 -6.419 -4.477 -23.841 101 HG3 ARG 24 3HG ARG 24 -5.117 -4.579 -22.655 102 HD2 ARG 24 2HD ARG 24 -3.733 -4.317 -24.389 103 HD3 ARG 24 3HD ARG 24 -4.113 -5.992 -24.783 104 HE ARG 24 HE ARG 24 -6.047 -4.277 -25.912 105 HH11 ARG 24 1HH1 ARG 24 -2.725 -5.249 -26.288 106 HH12 ARG 24 2HH1 ARG 24 -2.688 -4.928 -27.990 107 HH21 ARG 24 1HH2 ARG 24 -6.010 -3.851 -28.152 108 HH22 ARG 24 2HH2 ARG 24 -4.556 -4.132 -29.049 109 H PHE 25 H PHE 25 -7.070 -7.168 -20.202 110 HA PHE 25 HA PHE 25 -7.316 -4.413 -19.245 111 HB2 PHE 25 2HB PHE 25 -9.445 -6.169 -19.083 112 HB3 PHE 25 3HB PHE 25 -8.690 -6.311 -17.499 113 HD1 PHE 25 HD1 PHE 25 -9.833 -3.727 -19.926 114 HD2 PHE 25 HD2 PHE 25 -9.261 -4.810 -15.850 115 HE1 PHE 25 HE1 PHE 25 -10.935 -1.643 -19.222 116 HE2 PHE 25 HE2 PHE 25 -10.362 -2.728 -15.139 117 HZ PHE 25 HZ PHE 25 -11.202 -1.141 -16.825 118 H GLU 26 H GLU 26 -5.706 -3.959 -17.905 119 HA GLU 26 HA GLU 26 -4.403 -6.183 -16.478 120 HB2 GLU 26 2HB GLU 26 -2.327 -4.995 -16.605 121 HB3 GLU 26 3HB GLU 26 -3.019 -5.039 -18.221 122 HG2 GLU 26 2HG GLU 26 -3.943 -2.683 -16.953 123 HG3 GLU 26 3HG GLU 26 -2.203 -2.793 -16.694 124 H LEU 27 H LEU 27 -3.663 -5.812 -14.344 125 HA LEU 27 HA LEU 27 -4.387 -3.358 -12.995 126 HB2 LEU 27 2HB LEU 27 -6.186 -5.536 -13.034 127 HB3 LEU 27 3HB LEU 27 -5.482 -5.476 -11.419 128 HG LEU 27 HG LEU 27 -6.136 -2.911 -11.643 129 HD11 LEU 27 1HD1 LEU 27 -7.524 -2.384 -13.289 130 HD12 LEU 27 2HD1 LEU 27 -8.604 -3.713 -12.867 131 HD13 LEU 27 3HD1 LEU 27 -7.258 -3.988 -13.973 132 HD21 LEU 27 1HD2 LEU 27 -8.037 -3.367 -10.316 133 HD22 LEU 27 2HD2 LEU 27 -6.879 -4.651 -9.966 134 HD23 LEU 27 3HD2 LEU 27 -8.248 -4.965 -11.034 135 H SER 28 H SER 28 -3.741 -3.418 -10.671 136 HA SER 28 HA SER 28 -1.597 -5.366 -10.161 137 HB2 SER 28 2HB SER 28 -1.437 -2.366 -9.797 138 HB3 SER 28 3HB SER 28 -0.245 -3.505 -9.171 139 HG SER 28 HG SER 28 -0.654 -2.609 -11.743 140 H VAL 29 H VAL 29 -1.765 -6.321 -8.245 141 HA VAL 29 HA VAL 29 -2.962 -4.895 -5.997 142 HB VAL 29 HB VAL 29 -4.492 -6.669 -5.432 143 HG11 VAL 29 1HG1 VAL 29 -4.757 -5.774 -8.298 144 HG12 VAL 29 2HG1 VAL 29 -6.049 -6.541 -7.372 145 HG13 VAL 29 3HG1 VAL 29 -5.406 -4.978 -6.864 146 HG21 VAL 29 1HG2 VAL 29 -4.803 -8.424 -7.404 147 HG22 VAL 29 2HG2 VAL 29 -3.085 -8.092 -7.623 148 HG23 VAL 29 3HG2 VAL 29 -3.676 -8.696 -6.075 149 H ASP 30 H ASP 30 -2.429 -5.766 -3.951 150 HA ASP 30 HA ASP 30 0.128 -7.063 -3.886 151 HB2 ASP 30 2HB ASP 30 -1.745 -6.289 -1.639 152 HB3 ASP 30 3HB ASP 30 -0.087 -6.845 -1.430 153 H SER 31 H SER 31 0.639 -9.113 -3.256 154 HA SER 31 HA SER 31 -1.483 -11.070 -3.418 155 HB2 SER 31 2HB SER 31 0.607 -11.523 -4.581 156 HB3 SER 31 3HB SER 31 1.509 -11.388 -3.071 157 HG SER 31 HG SER 31 -0.587 -13.215 -3.128 158 H ASN 32 H ASN 32 -2.395 -12.142 -1.776 159 HA ASN 32 HA ASN 32 -1.172 -12.748 0.675 160 HB2 ASN 32 2HB ASN 32 -2.345 -11.225 2.188 161 HB3 ASN 32 3HB ASN 32 -1.339 -10.320 1.061 162 HD21 ASN 32 1HD2 ASN 32 -2.485 -9.557 -0.930 163 HD22 ASN 32 2HD2 ASN 32 -4.090 -8.951 -0.727 164 H HIS 33 H HIS 33 -4.246 -11.943 -0.888 165 HA HIS 33 HA HIS 33 -5.600 -14.038 0.633 166 HB2 HIS 33 2HB HIS 33 -6.412 -11.580 -0.675 167 HB3 HIS 33 3HB HIS 33 -7.422 -12.933 -1.174 168 HD1 HIS 33 HD1 HIS 33 -6.367 -11.055 1.925 169 HD2 HIS 33 HD2 HIS 33 -9.254 -13.777 0.694 170 HE1 HIS 33 HE1 HIS 33 -7.997 -11.214 3.833 171 H THR 34 H THR 34 -7.254 -15.332 -0.722 172 HA THR 34 HA THR 34 -5.758 -16.839 -2.643 173 HB THR 34 HB THR 34 -7.602 -18.342 -2.723 174 HG1 THR 34 HG1 THR 34 -9.625 -17.726 -2.393 175 HG21 THR 34 1HG2 THR 34 -7.593 -17.229 0.081 176 HG22 THR 34 2HG2 THR 34 -6.309 -18.241 -0.581 177 HG23 THR 34 3HG2 THR 34 -7.942 -18.884 -0.413 178 H LEU 35 H LEU 35 -7.086 -17.561 -4.696 179 HA LEU 35 HA LEU 35 -7.062 -15.480 -6.512 180 HB2 LEU 35 2HB LEU 35 -7.273 -18.127 -6.737 181 HB3 LEU 35 3HB LEU 35 -8.962 -17.702 -7.009 182 HG LEU 35 HG LEU 35 -7.733 -17.984 -9.107 183 HD11 LEU 35 1HD1 LEU 35 -9.592 -16.222 -8.679 184 HD12 LEU 35 2HD1 LEU 35 -8.675 -16.174 -10.183 185 HD13 LEU 35 3HD1 LEU 35 -8.283 -15.057 -8.877 186 HD21 LEU 35 1HD2 LEU 35 -5.712 -17.131 -9.482 187 HD22 LEU 35 2HD2 LEU 35 -5.670 -16.704 -7.771 188 HD23 LEU 35 3HD2 LEU 35 -6.214 -15.522 -8.963 189 H ARG 36 H ARG 36 -9.607 -16.509 -4.377 190 HA ARG 36 HA ARG 36 -11.858 -15.451 -5.571 191 HB2 ARG 36 2HB ARG 36 -11.032 -16.106 -2.833 192 HB3 ARG 36 3HB ARG 36 -12.266 -14.856 -2.922 193 HG2 ARG 36 2HG ARG 36 -13.100 -16.841 -4.698 194 HG3 ARG 36 3HG ARG 36 -12.511 -17.696 -3.271 195 HD2 ARG 36 2HD ARG 36 -14.465 -15.403 -3.185 196 HD3 ARG 36 3HD ARG 36 -14.937 -17.102 -3.200 197 HE ARG 36 HE ARG 36 -13.223 -16.945 -1.110 198 HH11 ARG 36 1HH1 ARG 36 -16.070 -15.162 -2.022 199 HH12 ARG 36 2HH1 ARG 36 -16.533 -14.812 -0.389 200 HH21 ARG 36 1HH2 ARG 36 -13.822 -16.492 1.044 201 HH22 ARG 36 2HH2 ARG 36 -15.253 -15.569 1.354 202 H ASP 37 H ASP 37 -9.229 -13.803 -3.977 203 HA ASP 37 HA ASP 37 -10.581 -11.275 -3.792 204 HB2 ASP 37 2HB ASP 37 -8.897 -11.568 -2.180 205 HB3 ASP 37 3HB ASP 37 -7.745 -12.178 -3.365 206 H VAL 38 H VAL 38 -8.054 -12.634 -5.888 207 HA VAL 38 HA VAL 38 -7.668 -10.366 -7.492 208 HB VAL 38 HB VAL 38 -7.352 -13.265 -8.283 209 HG11 VAL 38 1HG1 VAL 38 -5.520 -12.051 -9.746 210 HG12 VAL 38 2HG1 VAL 38 -7.188 -12.206 -10.302 211 HG13 VAL 38 3HG1 VAL 38 -6.632 -10.692 -9.588 212 HG21 VAL 38 1HG2 VAL 38 -4.920 -11.820 -7.699 213 HG22 VAL 38 2HG2 VAL 38 -6.005 -11.835 -6.309 214 HG23 VAL 38 3HG2 VAL 38 -5.500 -13.354 -7.049 215 H LEU 39 H LEU 39 -9.845 -13.139 -7.881 216 HA LEU 39 HA LEU 39 -10.915 -12.273 -10.370 217 HB2 LEU 39 2HB LEU 39 -10.971 -14.609 -9.614 218 HB3 LEU 39 3HB LEU 39 -12.083 -14.156 -8.324 219 HG LEU 39 HG LEU 39 -13.552 -13.323 -10.355 220 HD11 LEU 39 1HD1 LEU 39 -13.176 -15.285 -12.103 221 HD12 LEU 39 2HD1 LEU 39 -11.506 -15.088 -11.573 222 HD13 LEU 39 3HD1 LEU 39 -12.380 -13.719 -12.260 223 HD21 LEU 39 1HD2 LEU 39 -14.648 -15.525 -10.365 224 HD22 LEU 39 2HD2 LEU 39 -14.246 -14.985 -8.735 225 HD23 LEU 39 3HD2 LEU 39 -13.253 -16.209 -9.530 226 H ARG 40 H ARG 40 -11.828 -11.806 -7.008 227 HA ARG 40 HA ARG 40 -14.396 -10.794 -7.335 228 HB2 ARG 40 2HB ARG 40 -12.309 -10.666 -5.269 229 HB3 ARG 40 3HB ARG 40 -13.431 -9.312 -5.246 230 HG2 ARG 40 2HG ARG 40 -14.841 -11.807 -5.538 231 HG3 ARG 40 3HG ARG 40 -13.796 -11.827 -4.115 232 HD2 ARG 40 2HD ARG 40 -14.861 -9.967 -3.170 233 HD3 ARG 40 3HD ARG 40 -15.610 -9.509 -4.699 234 HE ARG 40 HE ARG 40 -16.639 -11.979 -4.117 235 HH11 ARG 40 1HH1 ARG 40 -16.515 -8.893 -2.511 236 HH12 ARG 40 2HH1 ARG 40 -18.012 -9.124 -1.669 237 HH21 ARG 40 1HH2 ARG 40 -18.611 -12.295 -3.015 238 HH22 ARG 40 2HH2 ARG 40 -19.203 -11.060 -1.956 239 H GLN 41 H GLN 41 -11.283 -9.089 -7.406 240 HA GLN 41 HA GLN 41 -12.467 -6.533 -7.895 241 HB2 GLN 41 2HB GLN 41 -9.984 -7.405 -7.086 242 HB3 GLN 41 3HB GLN 41 -9.678 -6.852 -8.728 243 HG2 GLN 41 2HG GLN 41 -10.000 -4.687 -8.208 244 HG3 GLN 41 3HG GLN 41 -11.277 -5.043 -7.045 245 HE21 GLN 41 1HE2 GLN 41 -7.962 -6.250 -7.189 246 HE22 GLN 41 2HE2 GLN 41 -7.475 -5.616 -5.657 247 H PHE 42 H PHE 42 -10.721 -8.878 -9.918 248 HA PHE 42 HA PHE 42 -10.739 -7.485 -12.311 249 HB2 PHE 42 2HB PHE 42 -9.463 -9.468 -12.240 250 HB3 PHE 42 3HB PHE 42 -10.835 -10.431 -11.702 251 HD1 PHE 42 HD1 PHE 42 -11.922 -11.749 -13.237 252 HD2 PHE 42 HD2 PHE 42 -9.763 -8.343 -14.597 253 HE1 PHE 42 HE1 PHE 42 -12.388 -12.388 -15.567 254 HE2 PHE 42 HE2 PHE 42 -10.226 -8.976 -16.929 255 HZ PHE 42 HZ PHE 42 -11.540 -11.001 -17.417 256 H LYS 43 H LYS 43 -13.184 -9.753 -11.076 257 HA LYS 43 HA LYS 43 -14.952 -9.404 -13.277 258 HB2 LYS 43 2HB LYS 43 -16.468 -10.772 -12.092 259 HB3 LYS 43 3HB LYS 43 -14.872 -11.370 -11.660 260 HG2 LYS 43 2HG LYS 43 -15.041 -9.909 -9.595 261 HG3 LYS 43 3HG LYS 43 -16.748 -9.714 -10.003 262 HD2 LYS 43 2HD LYS 43 -15.378 -12.373 -9.606 263 HD3 LYS 43 3HD LYS 43 -16.309 -11.533 -8.363 264 HE2 LYS 43 2HE LYS 43 -18.244 -11.548 -9.988 265 HE3 LYS 43 3HE LYS 43 -17.291 -12.649 -10.981 266 HZ1 LYS 43 1HZ LYS 43 -18.973 -13.542 -9.209 267 HZ2 LYS 43 2HZ LYS 43 -17.675 -13.304 -8.151 268 HZ3 LYS 43 3HZ LYS 43 -17.503 -14.334 -9.481 269 H ARG 44 H ARG 44 -14.487 -7.764 -10.236 270 HA ARG 44 HA ARG 44 -16.982 -6.402 -10.184 271 HB2 ARG 44 2HB ARG 44 -15.749 -6.618 -8.139 272 HB3 ARG 44 3HB ARG 44 -14.337 -5.842 -8.843 273 HG2 ARG 44 2HG ARG 44 -16.805 -4.241 -8.858 274 HG3 ARG 44 3HG ARG 44 -16.120 -4.588 -7.270 275 HD2 ARG 44 2HD ARG 44 -14.082 -3.541 -7.805 276 HD3 ARG 44 3HD ARG 44 -14.447 -3.534 -9.530 277 HE ARG 44 HE ARG 44 -16.405 -2.015 -8.289 278 HH11 ARG 44 1HH1 ARG 44 -12.951 -1.922 -8.717 279 HH12 ARG 44 2HH1 ARG 44 -12.859 -0.193 -8.656 280 HH21 ARG 44 1HH2 ARG 44 -16.297 0.262 -8.208 281 HH22 ARG 44 2HH2 ARG 44 -14.763 1.048 -8.366 282 H GLU 45 H GLU 45 -13.991 -5.882 -11.841 283 HA GLU 45 HA GLU 45 -14.762 -3.154 -12.576 284 HB2 GLU 45 2HB GLU 45 -12.239 -4.588 -12.320 285 HB3 GLU 45 3HB GLU 45 -12.359 -3.721 -13.844 286 HG2 GLU 45 2HG GLU 45 -13.268 -2.029 -11.737 287 HG3 GLU 45 3HG GLU 45 -11.698 -2.705 -11.305 288 H VAL 46 H VAL 46 -14.117 -6.325 -13.974 289 HA VAL 46 HA VAL 46 -14.235 -5.684 -16.678 290 HB VAL 46 HB VAL 46 -13.738 -7.957 -15.492 291 HG11 VAL 46 1HG1 VAL 46 -16.214 -7.955 -14.686 292 HG12 VAL 46 2HG1 VAL 46 -16.544 -8.591 -16.298 293 HG13 VAL 46 3HG1 VAL 46 -15.464 -9.462 -15.209 294 HG21 VAL 46 1HG2 VAL 46 -14.264 -9.156 -17.609 295 HG22 VAL 46 2HG2 VAL 46 -15.147 -7.728 -18.149 296 HG23 VAL 46 3HG2 VAL 46 -13.412 -7.630 -17.848 297 H ALA 47 H ALA 47 -16.752 -5.833 -14.313 298 HA ALA 47 HA ALA 47 -18.952 -6.181 -16.073 299 HB1 ALA 47 1HB ALA 47 -20.030 -6.386 -14.147 300 HB2 ALA 47 2HB ALA 47 -18.562 -5.918 -13.287 301 HB3 ALA 47 3HB ALA 47 -19.729 -4.688 -13.774 302 H ALA 48 H ALA 48 -16.869 -3.568 -15.518 303 HA ALA 48 HA ALA 48 -18.608 -1.381 -15.888 304 HB1 ALA 48 1HB ALA 48 -16.421 -1.009 -14.996 305 HB2 ALA 48 2HB ALA 48 -15.662 -1.674 -16.443 306 HB3 ALA 48 3HB ALA 48 -16.539 -0.147 -16.531 307 H LEU 49 H LEU 49 -16.858 -3.436 -18.156 308 HA LEU 49 HA LEU 49 -18.186 -2.028 -20.376 309 HB2 LEU 49 2HB LEU 49 -16.347 -3.299 -21.719 310 HB3 LEU 49 3HB LEU 49 -15.966 -1.799 -20.877 311 HG LEU 49 HG LEU 49 -15.504 -4.276 -19.344 312 HD11 LEU 49 1HD1 LEU 49 -13.443 -4.820 -20.473 313 HD12 LEU 49 2HD1 LEU 49 -13.713 -3.538 -21.653 314 HD13 LEU 49 3HD1 LEU 49 -14.786 -4.936 -21.609 315 HD21 LEU 49 1HD2 LEU 49 -14.748 -2.426 -18.226 316 HD22 LEU 49 2HD2 LEU 49 -14.283 -1.584 -19.704 317 HD23 LEU 49 3HD2 LEU 49 -13.281 -2.896 -19.084 318 H ASP 50 H ASP 50 -17.774 -5.035 -18.740 319 HA ASP 50 HA ASP 50 -19.149 -6.497 -20.877 320 HB2 ASP 50 2HB ASP 50 -17.058 -7.438 -19.828 321 HB3 ASP 50 3HB ASP 50 -17.970 -7.620 -18.332 322 HA PRO 51 HA PRO 51 -22.817 -5.694 -18.369 323 HB2 PRO 51 2HB PRO 51 -24.567 -6.414 -20.315 324 HB3 PRO 51 3HB PRO 51 -23.792 -4.827 -20.260 325 HG2 PRO 51 2HG PRO 51 -23.073 -7.231 -21.892 326 HG3 PRO 51 3HG PRO 51 -23.133 -5.527 -22.377 327 HD2 PRO 51 2HD PRO 51 -20.815 -6.788 -21.774 328 HD3 PRO 51 3HD PRO 51 -21.073 -5.060 -21.456 329 H ILE 52 H ILE 52 -22.073 -8.571 -20.275 330 HA ILE 52 HA ILE 52 -24.013 -10.242 -19.021 331 HB ILE 52 HB ILE 52 -22.978 -10.677 -21.271 332 HG12 ILE 52 2HG1 ILE 52 -22.391 -13.191 -19.946 333 HG13 ILE 52 3HG1 ILE 52 -23.850 -12.452 -19.295 334 HG21 ILE 52 1HG2 ILE 52 -20.644 -11.618 -19.608 335 HG22 ILE 52 2HG2 ILE 52 -20.824 -11.816 -21.351 336 HG23 ILE 52 3HG2 ILE 52 -20.659 -10.202 -20.660 337 HD11 ILE 52 1HD1 ILE 52 -23.481 -12.688 -22.246 338 HD12 ILE 52 2HD1 ILE 52 -24.023 -14.072 -21.296 339 HD13 ILE 52 3HD1 ILE 52 -24.969 -12.584 -21.305 340 H ASN 53 H ASN 53 -23.731 -11.825 -17.449 341 HA ASN 53 HA ASN 53 -21.833 -11.193 -15.408 342 HB2 ASN 53 2HB ASN 53 -24.227 -12.789 -15.658 343 HB3 ASN 53 3HB ASN 53 -22.971 -13.694 -14.818 344 HD21 ASN 53 1HD2 ASN 53 -24.328 -13.574 -12.959 345 HD22 ASN 53 2HD2 ASN 53 -24.351 -12.144 -11.988 346 H LEU 54 H LEU 54 -19.757 -11.716 -15.607 347 HA LEU 54 HA LEU 54 -18.772 -13.773 -17.274 348 HB2 LEU 54 2HB LEU 54 -16.614 -13.295 -16.310 349 HB3 LEU 54 3HB LEU 54 -17.471 -11.792 -16.646 350 HG LEU 54 HG LEU 54 -17.697 -12.866 -13.896 351 HD11 LEU 54 1HD1 LEU 54 -15.563 -12.571 -13.235 352 HD12 LEU 54 2HD1 LEU 54 -15.265 -11.278 -14.395 353 HD13 LEU 54 3HD1 LEU 54 -15.213 -12.961 -14.919 354 HD21 LEU 54 1HD2 LEU 54 -18.028 -10.383 -15.320 355 HD22 LEU 54 2HD2 LEU 54 -16.957 -10.176 -13.935 356 HD23 LEU 54 3HD2 LEU 54 -18.577 -10.834 -13.706 357 H GLU 55 H GLU 55 -20.074 -13.816 -14.124 358 HA GLU 55 HA GLU 55 -18.683 -15.933 -12.940 359 HB2 GLU 55 2HB GLU 55 -20.842 -14.331 -12.259 360 HB3 GLU 55 3HB GLU 55 -21.535 -15.945 -12.336 361 HG2 GLU 55 2HG GLU 55 -19.641 -16.687 -10.838 362 HG3 GLU 55 3HG GLU 55 -19.284 -14.977 -10.603 363 H GLU 56 H GLU 56 -20.914 -15.902 -15.548 364 HA GLU 56 HA GLU 56 -21.616 -18.703 -15.299 365 HB2 GLU 56 2HB GLU 56 -22.164 -16.920 -17.666 366 HB3 GLU 56 3HB GLU 56 -23.025 -18.374 -17.182 367 HG2 GLU 56 2HG GLU 56 -23.770 -17.166 -15.134 368 HG3 GLU 56 3HG GLU 56 -23.044 -15.704 -15.800 369 H TYR 57 H TYR 57 -18.867 -17.266 -16.125 370 HA TYR 57 HA TYR 57 -18.223 -19.294 -18.162 371 HB2 TYR 57 2HB TYR 57 -16.956 -16.557 -18.034 372 HB3 TYR 57 3HB TYR 57 -16.805 -17.755 -19.315 373 HD1 TYR 57 HD1 TYR 57 -17.882 -14.706 -19.121 374 HD2 TYR 57 HD2 TYR 57 -19.647 -18.539 -19.665 375 HE1 TYR 57 HE1 TYR 57 -19.764 -13.663 -20.311 376 HE2 TYR 57 HE2 TYR 57 -21.534 -17.507 -20.858 377 HH TYR 57 HH TYR 57 -21.935 -15.372 -22.172 378 H VAL 58 H VAL 58 -15.786 -19.642 -18.306 379 HA VAL 58 HA VAL 58 -14.680 -19.710 -15.574 380 HB VAL 58 HB VAL 58 -13.334 -21.663 -16.357 381 HG11 VAL 58 1HG1 VAL 58 -15.046 -22.460 -15.106 382 HG12 VAL 58 2HG1 VAL 58 -16.277 -21.635 -16.064 383 HG13 VAL 58 3HG1 VAL 58 -15.552 -23.130 -16.656 384 HG21 VAL 58 1HG2 VAL 58 -13.330 -22.355 -18.475 385 HG22 VAL 58 2HG2 VAL 58 -15.091 -22.340 -18.560 386 HG23 VAL 58 3HG2 VAL 58 -14.182 -20.862 -18.872 387 H VAL 59 H VAL 59 -12.548 -19.148 -15.237 388 HA VAL 59 HA VAL 59 -11.169 -17.914 -17.533 389 HB VAL 59 HB VAL 59 -11.995 -16.268 -15.854 390 HG11 VAL 59 1HG1 VAL 59 -9.897 -16.897 -13.916 391 HG12 VAL 59 2HG1 VAL 59 -11.574 -16.413 -13.658 392 HG13 VAL 59 3HG1 VAL 59 -11.184 -18.100 -13.996 393 HG21 VAL 59 1HG2 VAL 59 -10.259 -15.389 -17.072 394 HG22 VAL 59 2HG2 VAL 59 -9.590 -15.292 -15.443 395 HG23 VAL 59 3HG2 VAL 59 -9.108 -16.605 -16.517 396 H ASN 60 H ASN 60 -9.092 -18.465 -17.901 397 HA ASN 60 HA ASN 60 -7.933 -20.515 -16.160 398 HB2 ASN 60 2HB ASN 60 -6.423 -20.979 -18.060 399 HB3 ASN 60 3HB ASN 60 -8.118 -21.099 -18.523 400 HD21 ASN 60 1HD2 ASN 60 -5.213 -19.183 -18.750 401 HD22 ASN 60 2HD2 ASN 60 -5.705 -18.244 -20.115 402 H HIS 61 H HIS 61 -6.097 -20.217 -15.031 403 HA HIS 61 HA HIS 61 -4.790 -17.588 -15.263 404 HB2 HIS 61 2HB HIS 61 -5.371 -19.370 -12.935 405 HB3 HIS 61 3HB HIS 61 -3.952 -18.329 -12.869 406 HD1 HIS 61 HD1 HIS 61 -4.619 -16.488 -11.344 407 HD2 HIS 61 HD2 HIS 61 -7.571 -17.342 -14.140 408 HE1 HIS 61 HE1 HIS 61 -6.392 -14.737 -11.005 409 H GLU 62 H GLU 62 -2.809 -17.568 -16.076 410 HA GLU 62 HA GLU 62 -0.729 -18.211 -16.737 411 HB2 GLU 62 2HB GLU 62 -0.744 -18.759 -14.158 412 HB3 GLU 62 3HB GLU 62 -0.694 -20.422 -14.727 413 HG2 GLU 62 2HG GLU 62 1.292 -19.547 -16.184 414 HG3 GLU 62 3HG GLU 62 1.352 -18.275 -14.965 415 H GLY 63 H GLY 63 -2.963 -19.345 -18.064 416 HA2 GLY 63 2HA GLY 63 -3.308 -20.891 -19.734 417 HA3 GLY 63 3HA GLY 63 -1.666 -21.456 -19.469 418 H LYS 64 H LYS 64 -3.533 -21.441 -16.644 419 HA LYS 64 HA LYS 64 -4.157 -24.302 -16.973 420 HB2 LYS 64 2HB LYS 64 -2.389 -23.069 -15.106 421 HB3 LYS 64 3HB LYS 64 -3.770 -23.695 -14.216 422 HG2 LYS 64 2HG LYS 64 -3.364 -25.866 -15.540 423 HG3 LYS 64 3HG LYS 64 -1.776 -25.175 -15.884 424 HD2 LYS 64 2HD LYS 64 -1.345 -24.960 -13.489 425 HD3 LYS 64 3HD LYS 64 -2.941 -25.624 -13.135 426 HE2 LYS 64 2HE LYS 64 -2.302 -27.714 -14.255 427 HE3 LYS 64 3HE LYS 64 -0.701 -27.047 -14.571 428 HZ1 LYS 64 1HZ LYS 64 -0.203 -28.063 -12.650 429 HZ2 LYS 64 2HZ LYS 64 -1.807 -28.112 -12.116 430 HZ3 LYS 64 3HZ LYS 64 -0.898 -26.698 -11.932 431 H LEU 65 H LEU 65 -6.175 -24.913 -16.472 432 HA LEU 65 HA LEU 65 -8.048 -22.862 -15.613 433 HB2 LEU 65 2HB LEU 65 -8.215 -25.475 -16.974 434 HB3 LEU 65 3HB LEU 65 -9.580 -25.051 -15.943 435 HG LEU 65 HG LEU 65 -9.096 -22.789 -17.526 436 HD11 LEU 65 1HD1 LEU 65 -8.992 -25.328 -19.147 437 HD12 LEU 65 2HD1 LEU 65 -7.735 -24.096 -19.031 438 HD13 LEU 65 3HD1 LEU 65 -9.274 -23.715 -19.803 439 HD21 LEU 65 1HD2 LEU 65 -11.246 -23.787 -16.657 440 HD22 LEU 65 2HD2 LEU 65 -11.175 -24.908 -18.017 441 HD23 LEU 65 3HD2 LEU 65 -11.295 -23.172 -18.309 442 H LEU 66 H LEU 66 -8.426 -22.575 -13.524 443 HA LEU 66 HA LEU 66 -7.916 -24.717 -11.627 444 HB2 LEU 66 2HB LEU 66 -8.934 -21.970 -10.973 445 HB3 LEU 66 3HB LEU 66 -8.045 -23.085 -9.937 446 HG LEU 66 HG LEU 66 -6.910 -21.595 -12.304 447 HD11 LEU 66 1HD1 LEU 66 -6.306 -21.198 -9.385 448 HD12 LEU 66 2HD1 LEU 66 -7.490 -20.234 -10.267 449 HD13 LEU 66 3HD1 LEU 66 -5.794 -20.204 -10.748 450 HD21 LEU 66 1HD2 LEU 66 -6.044 -23.970 -11.141 451 HD22 LEU 66 2HD2 LEU 66 -5.022 -22.720 -10.430 452 HD23 LEU 66 3HD2 LEU 66 -5.111 -22.896 -12.184 453 H LEU 67 H LEU 67 -9.470 -25.340 -10.013 454 HA LEU 67 HA LEU 67 -12.147 -25.540 -11.122 455 HB2 LEU 67 2HB LEU 67 -10.503 -27.064 -9.296 456 HB3 LEU 67 3HB LEU 67 -12.114 -26.794 -8.636 457 HG LEU 67 HG LEU 67 -11.841 -28.943 -9.871 458 HD11 LEU 67 1HD1 LEU 67 -13.958 -28.834 -10.943 459 HD12 LEU 67 2HD1 LEU 67 -13.820 -27.092 -11.182 460 HD13 LEU 67 3HD1 LEU 67 -14.022 -27.745 -9.556 461 HD21 LEU 67 1HD2 LEU 67 -11.474 -29.039 -12.159 462 HD22 LEU 67 2HD2 LEU 67 -10.352 -27.782 -11.637 463 HD23 LEU 67 3HD2 LEU 67 -11.880 -27.339 -12.399 464 H ASP 68 H ASP 68 -10.687 -24.535 -8.030 465 HA ASP 68 HA ASP 68 -13.048 -22.827 -7.588 466 HB2 ASP 68 2HB ASP 68 -11.715 -24.761 -5.830 467 HB3 ASP 68 3HB ASP 68 -11.977 -23.187 -5.083 468 H ASP 69 H ASP 69 -12.397 -21.145 -5.741 469 HA ASP 69 HA ASP 69 -9.919 -19.856 -6.679 470 HB2 ASP 69 2HB ASP 69 -12.365 -18.537 -5.483 471 HB3 ASP 69 3HB ASP 69 -10.944 -17.717 -6.122 472 H SER 70 H SER 70 -10.114 -21.836 -4.550 473 HA SER 70 HA SER 70 -9.800 -20.347 -2.082 474 HB2 SER 70 2HB SER 70 -9.597 -22.496 -1.007 475 HB3 SER 70 3HB SER 70 -10.920 -22.593 -2.168 476 HG SER 70 HG SER 70 -8.606 -23.999 -2.074 477 H VAL 71 H VAL 71 -7.823 -21.685 -4.578 478 HA VAL 71 HA VAL 71 -5.396 -21.701 -3.016 479 HB VAL 71 HB VAL 71 -4.281 -22.149 -5.204 480 HG11 VAL 71 1HG1 VAL 71 -5.537 -23.856 -3.616 481 HG12 VAL 71 2HG1 VAL 71 -6.539 -24.074 -5.052 482 HG13 VAL 71 3HG1 VAL 71 -4.801 -24.369 -5.135 483 HG21 VAL 71 1HG2 VAL 71 -7.085 -22.230 -6.309 484 HG22 VAL 71 2HG2 VAL 71 -5.949 -20.908 -6.578 485 HG23 VAL 71 3HG2 VAL 71 -5.583 -22.522 -7.185 486 H THR 72 H THR 72 -3.675 -20.276 -3.183 487 HA THR 72 HA THR 72 -4.395 -17.572 -3.907 488 HB THR 72 HB THR 72 -2.536 -16.853 -2.721 489 HG1 THR 72 HG1 THR 72 -0.679 -17.750 -3.156 490 HG21 THR 72 1HG2 THR 72 -2.683 -19.444 -1.276 491 HG22 THR 72 2HG2 THR 72 -4.179 -18.528 -1.462 492 HG23 THR 72 3HG2 THR 72 -2.791 -17.796 -0.658 493 H LEU 73 H LEU 73 -2.753 -16.215 -5.099 494 HA LEU 73 HA LEU 73 -2.488 -17.054 -7.721 495 HB2 LEU 73 2HB LEU 73 -0.712 -15.210 -7.844 496 HB3 LEU 73 3HB LEU 73 -2.356 -14.764 -7.392 497 HG LEU 73 HG LEU 73 -0.813 -15.322 -5.035 498 HD11 LEU 73 1HD1 LEU 73 0.906 -14.496 -6.914 499 HD12 LEU 73 2HD1 LEU 73 1.047 -14.054 -5.213 500 HD13 LEU 73 3HD1 LEU 73 0.310 -12.933 -6.358 501 HD21 LEU 73 1HD2 LEU 73 -2.502 -13.183 -6.178 502 HD22 LEU 73 2HD2 LEU 73 -1.365 -12.702 -4.918 503 HD23 LEU 73 3HD2 LEU 73 -2.562 -13.957 -4.594 504 H GLN 74 H GLN 74 -0.092 -17.146 -5.111 505 HA GLN 74 HA GLN 74 1.970 -18.252 -6.754 506 HB2 GLN 74 2HB GLN 74 1.865 -17.078 -4.251 507 HB3 GLN 74 3HB GLN 74 2.230 -18.761 -3.892 508 HG2 GLN 74 2HG GLN 74 4.150 -18.669 -5.394 509 HG3 GLN 74 3HG GLN 74 3.784 -16.984 -5.758 510 HE21 GLN 74 1HE2 GLN 74 4.428 -15.418 -4.381 511 HE22 GLN 74 2HE2 GLN 74 5.323 -15.707 -2.932 512 H THR 75 H THR 75 -0.500 -19.552 -4.629 513 HA THR 75 HA THR 75 0.438 -22.165 -4.353 514 HB THR 75 HB THR 75 -2.463 -21.346 -4.573 515 HG1 THR 75 HG1 THR 75 -0.612 -21.218 -2.425 516 HG21 THR 75 1HG2 THR 75 -3.024 -23.358 -3.661 517 HG22 THR 75 2HG2 THR 75 -1.513 -23.495 -2.762 518 HG23 THR 75 3HG2 THR 75 -1.547 -23.851 -4.488 519 H VAL 76 H VAL 76 -1.346 -20.632 -6.967 520 HA VAL 76 HA VAL 76 -1.817 -23.086 -8.387 521 HB VAL 76 HB VAL 76 -2.060 -20.213 -9.287 522 HG11 VAL 76 1HG1 VAL 76 -2.621 -22.804 -10.672 523 HG12 VAL 76 2HG1 VAL 76 -3.572 -21.366 -11.050 524 HG13 VAL 76 3HG1 VAL 76 -1.824 -21.356 -11.287 525 HG21 VAL 76 1HG2 VAL 76 -3.573 -21.088 -7.436 526 HG22 VAL 76 2HG2 VAL 76 -4.365 -20.385 -8.846 527 HG23 VAL 76 3HG2 VAL 76 -4.283 -22.137 -8.663 528 H GLY 77 H GLY 77 0.715 -20.728 -8.235 529 HA2 GLY 77 2HA GLY 77 2.916 -21.276 -9.002 530 HA3 GLY 77 3HA GLY 77 2.192 -22.261 -10.265 531 H VAL 78 H VAL 78 0.860 -19.135 -9.635 532 HA VAL 78 HA VAL 78 1.296 -18.265 -12.295 533 HB VAL 78 HB VAL 78 0.465 -16.664 -9.871 534 HG11 VAL 78 1HG1 VAL 78 -0.614 -15.337 -11.924 535 HG12 VAL 78 2HG1 VAL 78 0.986 -14.964 -11.281 536 HG13 VAL 78 3HG1 VAL 78 0.826 -15.965 -12.724 537 HG21 VAL 78 1HG2 VAL 78 -1.583 -17.200 -11.834 538 HG22 VAL 78 2HG2 VAL 78 -0.888 -18.697 -11.213 539 HG23 VAL 78 3HG2 VAL 78 -1.579 -17.517 -10.100 540 H LYS 79 H LYS 79 2.727 -16.808 -13.150 541 HA LYS 79 HA LYS 79 5.165 -16.381 -11.622 542 HB2 LYS 79 2HB LYS 79 4.408 -16.221 -14.507 543 HB3 LYS 79 3HB LYS 79 5.813 -15.320 -13.956 544 HG2 LYS 79 2HG LYS 79 6.815 -17.376 -13.115 545 HG3 LYS 79 3HG LYS 79 5.398 -18.287 -13.643 546 HD2 LYS 79 2HD LYS 79 5.919 -17.278 -15.971 547 HD3 LYS 79 3HD LYS 79 7.517 -16.956 -15.293 548 HE2 LYS 79 2HE LYS 79 7.616 -19.389 -14.660 549 HE3 LYS 79 3HE LYS 79 6.148 -19.621 -15.608 550 HZ1 LYS 79 1HZ LYS 79 7.529 -18.473 -17.453 551 HZ2 LYS 79 2HZ LYS 79 7.783 -20.112 -17.121 552 HZ3 LYS 79 3HZ LYS 79 8.860 -18.951 -16.525 553 H LYS 80 H LYS 80 6.280 -14.167 -12.197 554 HA LYS 80 HA LYS 80 4.996 -12.159 -10.805 555 HB2 LYS 80 2HB LYS 80 7.476 -12.434 -11.748 556 HB3 LYS 80 3HB LYS 80 6.857 -11.347 -12.984 557 HG2 LYS 80 2HG LYS 80 6.774 -9.585 -11.587 558 HG3 LYS 80 3HG LYS 80 6.291 -10.568 -10.202 559 HD2 LYS 80 2HD LYS 80 8.766 -11.480 -10.459 560 HD3 LYS 80 3HD LYS 80 9.007 -9.905 -11.217 561 HE2 LYS 80 2HE LYS 80 7.701 -10.235 -8.527 562 HE3 LYS 80 3HE LYS 80 9.443 -10.046 -8.721 563 HZ1 LYS 80 1HZ LYS 80 7.889 -7.990 -8.340 564 HZ2 LYS 80 2HZ LYS 80 7.687 -8.093 -10.016 565 HZ3 LYS 80 3HZ LYS 80 9.233 -7.886 -9.362 566 H ASP 81 H ASP 81 5.198 -12.569 -14.332 567 HA ASP 81 HA ASP 81 3.748 -10.292 -15.053 568 HB2 ASP 81 2HB ASP 81 3.878 -12.949 -16.496 569 HB3 ASP 81 3HB ASP 81 3.377 -11.416 -17.204 570 H SER 82 H SER 82 2.635 -13.609 -14.446 571 HA SER 82 HA SER 82 0.571 -14.479 -14.041 572 HB2 SER 82 2HB SER 82 -0.458 -11.815 -13.159 573 HB3 SER 82 3HB SER 82 -0.681 -13.403 -12.425 574 HG SER 82 HG SER 82 1.612 -11.744 -12.337 575 H VAL 83 H VAL 83 -0.098 -14.919 -16.116 576 HA VAL 83 HA VAL 83 -1.823 -12.888 -17.379 577 HB VAL 83 HB VAL 83 0.077 -13.316 -18.795 578 HG11 VAL 83 1HG1 VAL 83 -0.150 -15.954 -17.789 579 HG12 VAL 83 2HG1 VAL 83 -0.300 -16.034 -19.545 580 HG13 VAL 83 3HG1 VAL 83 1.116 -15.277 -18.813 581 HG21 VAL 83 1HG2 VAL 83 -1.044 -14.108 -20.819 582 HG22 VAL 83 2HG2 VAL 83 -2.362 -14.754 -19.841 583 HG23 VAL 83 3HG2 VAL 83 -2.079 -13.014 -19.901 584 H PHE 84 H PHE 84 -3.910 -13.358 -17.327 585 HA PHE 84 HA PHE 84 -4.725 -16.186 -17.418 586 HB2 PHE 84 2HB PHE 84 -6.630 -14.465 -16.043 587 HB3 PHE 84 3HB PHE 84 -5.941 -16.004 -15.538 588 HD1 PHE 84 HD1 PHE 84 -5.774 -12.403 -15.244 589 HD2 PHE 84 HD2 PHE 84 -3.797 -16.056 -14.315 590 HE1 PHE 84 HE1 PHE 84 -4.408 -11.233 -13.565 591 HE2 PHE 84 HE2 PHE 84 -2.429 -14.893 -12.634 592 HZ PHE 84 HZ PHE 84 -2.734 -12.478 -12.256 593 H VAL 85 H VAL 85 -6.333 -16.696 -18.805 594 HA VAL 85 HA VAL 85 -7.506 -14.480 -20.354 595 HB VAL 85 HB VAL 85 -7.046 -17.343 -21.205 596 HG11 VAL 85 1HG1 VAL 85 -8.456 -15.040 -22.479 597 HG12 VAL 85 2HG1 VAL 85 -7.615 -16.217 -23.491 598 HG13 VAL 85 3HG1 VAL 85 -8.912 -16.742 -22.417 599 HG21 VAL 85 1HG2 VAL 85 -5.273 -15.173 -21.123 600 HG22 VAL 85 2HG2 VAL 85 -5.046 -16.716 -21.945 601 HG23 VAL 85 3HG2 VAL 85 -5.746 -15.350 -22.813 602 H LEU 86 H LEU 86 -9.691 -14.417 -20.725 603 HA LEU 86 HA LEU 86 -11.305 -16.343 -19.189 604 HB2 LEU 86 2HB LEU 86 -11.608 -14.223 -18.232 605 HB3 LEU 86 3HB LEU 86 -11.688 -13.432 -19.804 606 HG LEU 86 HG LEU 86 -13.827 -15.384 -19.208 607 HD11 LEU 86 1HD1 LEU 86 -14.745 -12.981 -18.116 608 HD12 LEU 86 2HD1 LEU 86 -13.178 -13.279 -17.364 609 HD13 LEU 86 3HD1 LEU 86 -14.447 -14.500 -17.272 610 HD21 LEU 86 1HD2 LEU 86 -15.179 -13.689 -20.333 611 HD22 LEU 86 2HD2 LEU 86 -13.766 -14.123 -21.296 612 HD23 LEU 86 3HD2 LEU 86 -13.786 -12.609 -20.390 613 H VAL 87 H VAL 87 -12.883 -17.466 -20.184 614 HA VAL 87 HA VAL 87 -13.744 -16.675 -22.865 615 HB VAL 87 HB VAL 87 -13.538 -19.063 -23.629 616 HG11 VAL 87 1HG1 VAL 87 -10.792 -18.094 -23.021 617 HG12 VAL 87 2HG1 VAL 87 -11.475 -18.680 -24.540 618 HG13 VAL 87 3HG1 VAL 87 -11.859 -17.057 -23.966 619 HG21 VAL 87 1HG2 VAL 87 -11.357 -19.765 -21.904 620 HG22 VAL 87 2HG2 VAL 87 -12.809 -19.470 -20.946 621 HG23 VAL 87 3HG2 VAL 87 -12.838 -20.659 -22.249 622 H ARG 88 H ARG 88 -15.800 -17.359 -23.424 623 HA ARG 88 HA ARG 88 -17.505 -18.061 -21.211 624 HB2 ARG 88 2HB ARG 88 -19.339 -17.793 -22.827 625 HB3 ARG 88 3HB ARG 88 -18.251 -16.411 -22.843 626 HG2 ARG 88 2HG ARG 88 -18.215 -16.645 -25.051 627 HG3 ARG 88 3HG ARG 88 -17.200 -18.062 -24.779 628 HD2 ARG 88 2HD ARG 88 -18.976 -19.537 -25.025 629 HD3 ARG 88 3HD ARG 88 -20.181 -18.295 -24.688 630 HE ARG 88 HE ARG 88 -18.964 -17.494 -27.007 631 HH11 ARG 88 1HH1 ARG 88 -20.668 -20.336 -25.940 632 HH12 ARG 88 2HH1 ARG 88 -21.282 -20.718 -27.514 633 HH21 ARG 88 1HH2 ARG 88 -19.766 -17.987 -29.085 634 HH22 ARG 88 2HH2 ARG 88 -20.767 -19.382 -29.303 635 H LYS 89 H LYS 89 -18.042 -20.050 -20.630 636 HA LYS 89 HA LYS 89 -17.281 -22.313 -22.240 637 HB2 LYS 89 2HB LYS 89 -17.256 -22.069 -19.645 638 HB3 LYS 89 3HB LYS 89 -18.957 -22.502 -19.757 639 HG2 LYS 89 2HG LYS 89 -17.993 -24.483 -21.212 640 HG3 LYS 89 3HG LYS 89 -16.539 -24.144 -20.269 641 HD2 LYS 89 2HD LYS 89 -17.397 -25.299 -18.575 642 HD3 LYS 89 3HD LYS 89 -18.720 -24.136 -18.471 643 HE2 LYS 89 2HE LYS 89 -20.041 -25.881 -18.942 644 HE3 LYS 89 3HE LYS 89 -19.476 -25.675 -20.599 645 HZ1 LYS 89 1HZ LYS 89 -17.698 -27.242 -18.975 646 HZ2 LYS 89 2HZ LYS 89 -18.330 -27.569 -20.509 647 HZ3 LYS 89 3HZ LYS 89 -19.234 -27.934 -19.128 648 H ALA 90 H ALA 90 -20.293 -20.761 -21.251 649 HA ALA 90 HA ALA 90 -21.693 -22.367 -23.283 650 HB1 ALA 90 1HB ALA 90 -23.106 -21.498 -20.796 651 HB2 ALA 90 2HB ALA 90 -23.494 -22.814 -21.905 652 HB3 ALA 90 3HB ALA 90 -22.131 -22.968 -20.796 Start of MODEL 2 1 H1 MET 10 H MET 10 3.634 1.286 0.447 2 HA MET 10 HA MET 10 2.340 0.001 -0.953 3 HB2 MET 10 2HB MET 10 2.303 0.869 -3.237 4 HB3 MET 10 3HB MET 10 2.426 2.181 -2.073 5 HG2 MET 10 2HG MET 10 4.990 1.169 -3.074 6 HG3 MET 10 3HG MET 10 3.960 1.931 -4.283 7 HE1 MET 10 1HE MET 10 3.449 3.946 -4.617 8 HE2 MET 10 2HE MET 10 3.132 5.139 -3.357 9 HE3 MET 10 3HE MET 10 4.634 5.209 -4.281 10 H SER 11 H SER 11 4.839 -1.273 -0.235 11 HA SER 11 HA SER 11 5.901 -2.528 -2.592 12 HB2 SER 11 2HB SER 11 6.272 -3.471 0.251 13 HB3 SER 11 3HB SER 11 7.349 -3.714 -1.124 14 HG SER 11 HG SER 11 7.091 -1.551 0.558 15 H GLU 12 H GLU 12 6.161 -5.151 -2.016 16 HA GLU 12 HA GLU 12 5.115 -7.152 -2.295 17 HB2 GLU 12 2HB GLU 12 3.040 -5.933 -0.465 18 HB3 GLU 12 3HB GLU 12 3.249 -7.647 -0.796 19 HG2 GLU 12 2HG GLU 12 5.522 -6.072 0.320 20 HG3 GLU 12 3HG GLU 12 4.215 -6.601 1.378 21 H THR 13 H THR 13 4.695 -5.429 -4.374 22 HA THR 13 HA THR 13 1.846 -5.511 -5.012 23 HB THR 13 HB THR 13 2.991 -4.444 -7.231 24 HG1 THR 13 HG1 THR 13 5.000 -3.981 -6.754 25 HG21 THR 13 1HG2 THR 13 1.392 -3.053 -6.474 26 HG22 THR 13 2HG2 THR 13 2.721 -2.223 -5.665 27 HG23 THR 13 3HG2 THR 13 1.753 -3.405 -4.784 28 H ILE 14 H ILE 14 1.005 -6.586 -6.802 29 HA ILE 14 HA ILE 14 2.797 -8.380 -8.269 30 HB ILE 14 HB ILE 14 0.284 -9.269 -6.851 31 HG12 ILE 14 2HG1 ILE 14 2.077 -10.990 -5.989 32 HG13 ILE 14 3HG1 ILE 14 3.216 -9.727 -6.441 33 HG21 ILE 14 1HG2 ILE 14 0.906 -11.522 -7.806 34 HG22 ILE 14 2HG2 ILE 14 0.267 -10.348 -8.955 35 HG23 ILE 14 3HG2 ILE 14 2.001 -10.663 -8.890 36 HD11 ILE 14 1HD1 ILE 14 1.902 -9.962 -4.036 37 HD12 ILE 14 2HD1 ILE 14 2.739 -8.529 -4.635 38 HD13 ILE 14 3HD1 ILE 14 1.001 -8.702 -4.879 39 HA PRO 15 HA PRO 15 0.141 -6.395 -11.344 40 HB2 PRO 15 2HB PRO 15 1.792 -6.939 -13.429 41 HB3 PRO 15 3HB PRO 15 2.052 -5.582 -12.326 42 HG2 PRO 15 2HG PRO 15 3.347 -8.281 -12.347 43 HG3 PRO 15 3HG PRO 15 4.084 -6.689 -12.093 44 HD2 PRO 15 2HD PRO 15 3.494 -8.363 -10.049 45 HD3 PRO 15 3HD PRO 15 3.428 -6.596 -9.886 46 H VAL 16 H VAL 16 -1.432 -7.286 -12.557 47 HA VAL 16 HA VAL 16 -1.102 -10.042 -13.515 48 HB VAL 16 HB VAL 16 -3.580 -10.368 -12.905 49 HG11 VAL 16 1HG1 VAL 16 -3.007 -11.366 -10.847 50 HG12 VAL 16 2HG1 VAL 16 -1.543 -11.432 -11.830 51 HG13 VAL 16 3HG1 VAL 16 -1.702 -10.215 -10.562 52 HG21 VAL 16 1HG2 VAL 16 -2.909 -8.188 -10.933 53 HG22 VAL 16 2HG2 VAL 16 -3.972 -7.990 -12.326 54 HG23 VAL 16 3HG2 VAL 16 -4.414 -9.102 -11.030 55 H SER 17 H SER 17 -2.404 -10.600 -15.315 56 HA SER 17 HA SER 17 -3.745 -8.349 -16.650 57 HB2 SER 17 2HB SER 17 -1.620 -8.481 -17.739 58 HB3 SER 17 3HB SER 17 -1.711 -10.239 -17.844 59 HG SER 17 HG SER 17 -2.449 -8.558 -19.669 60 H VAL 18 H VAL 18 -5.604 -8.833 -17.711 61 HA VAL 18 HA VAL 18 -6.371 -11.670 -17.898 62 HB VAL 18 HB VAL 18 -8.145 -9.411 -16.957 63 HG11 VAL 18 1HG1 VAL 18 -9.712 -11.422 -16.527 64 HG12 VAL 18 2HG1 VAL 18 -9.581 -10.780 -18.166 65 HG13 VAL 18 3HG1 VAL 18 -8.713 -12.250 -17.721 66 HG21 VAL 18 1HG2 VAL 18 -7.828 -11.771 -15.265 67 HG22 VAL 18 2HG2 VAL 18 -6.336 -10.858 -15.494 68 HG23 VAL 18 3HG2 VAL 18 -7.769 -10.059 -14.846 69 H GLN 19 H GLN 19 -7.448 -12.268 -19.719 70 HA GLN 19 HA GLN 19 -7.841 -10.174 -21.747 71 HB2 GLN 19 2HB GLN 19 -6.469 -12.636 -21.851 72 HB3 GLN 19 3HB GLN 19 -7.913 -12.835 -22.835 73 HG2 GLN 19 2HG GLN 19 -7.304 -10.812 -24.095 74 HG3 GLN 19 3HG GLN 19 -5.828 -10.686 -23.139 75 HE21 GLN 19 1HE2 GLN 19 -4.376 -12.580 -23.216 76 HE22 GLN 19 2HE2 GLN 19 -4.224 -13.427 -24.714 77 H CYS 20 H CYS 20 -9.784 -9.899 -22.707 78 HA CYS 20 HA CYS 20 -11.907 -11.847 -22.149 79 HB2 CYS 20 2HB CYS 20 -12.328 -8.865 -21.930 80 HB3 CYS 20 3HB CYS 20 -13.466 -10.141 -21.516 81 HG CYS 20 HG CYS 20 -11.323 -8.632 -19.590 82 H CYS 21 H CYS 21 -13.589 -11.914 -23.678 83 HA CYS 21 HA CYS 21 -12.826 -11.497 -26.338 84 HB2 CYS 21 2HB CYS 21 -14.616 -13.082 -25.389 85 HB3 CYS 21 3HB CYS 21 -15.697 -11.696 -25.451 86 HG CYS 21 HG CYS 21 -16.177 -13.366 -27.659 87 H GLU 22 H GLU 22 -14.190 -9.351 -24.043 88 HA GLU 22 HA GLU 22 -15.158 -7.501 -26.079 89 HB2 GLU 22 2HB GLU 22 -15.223 -7.389 -23.060 90 HB3 GLU 22 3HB GLU 22 -15.856 -6.126 -24.105 91 HG2 GLU 22 2HG GLU 22 -16.810 -8.980 -24.067 92 HG3 GLU 22 3HG GLU 22 -17.601 -7.628 -23.258 93 H GLY 23 H GLY 23 -12.410 -8.038 -24.067 94 HA2 GLY 23 2HA GLY 23 -10.696 -6.327 -25.348 95 HA3 GLY 23 3HA GLY 23 -11.434 -5.342 -24.094 96 H ARG 24 H ARG 24 -8.995 -5.315 -23.601 97 HA ARG 24 HA ARG 24 -8.382 -7.550 -21.780 98 HB2 ARG 24 2HB ARG 24 -5.972 -6.886 -22.127 99 HB3 ARG 24 3HB ARG 24 -6.770 -7.589 -23.527 100 HG2 ARG 24 2HG ARG 24 -6.419 -5.770 -24.750 101 HG3 ARG 24 3HG ARG 24 -7.030 -4.708 -23.480 102 HD2 ARG 24 2HD ARG 24 -4.915 -4.593 -22.429 103 HD3 ARG 24 3HD ARG 24 -4.285 -5.931 -23.389 104 HE ARG 24 HE ARG 24 -4.940 -4.025 -25.227 105 HH11 ARG 24 1HH1 ARG 24 -2.923 -4.115 -22.391 106 HH12 ARG 24 2HH1 ARG 24 -1.810 -2.927 -22.985 107 HH21 ARG 24 1HH2 ARG 24 -3.483 -2.460 -26.020 108 HH22 ARG 24 2HH2 ARG 24 -2.130 -1.985 -25.049 109 H PHE 25 H PHE 25 -7.579 -7.084 -19.743 110 HA PHE 25 HA PHE 25 -7.345 -4.271 -18.972 111 HB2 PHE 25 2HB PHE 25 -9.605 -5.862 -18.371 112 HB3 PHE 25 3HB PHE 25 -8.695 -5.690 -16.873 113 HD1 PHE 25 HD1 PHE 25 -9.805 -3.571 -19.739 114 HD2 PHE 25 HD2 PHE 25 -9.216 -3.906 -15.537 115 HE1 PHE 25 HE1 PHE 25 -10.747 -1.319 -19.432 116 HE2 PHE 25 HE2 PHE 25 -10.158 -1.655 -15.223 117 HZ PHE 25 HZ PHE 25 -10.926 -0.359 -17.171 118 H GLU 26 H GLU 26 -5.938 -3.879 -17.292 119 HA GLU 26 HA GLU 26 -4.639 -6.211 -16.062 120 HB2 GLU 26 2HB GLU 26 -2.455 -5.262 -16.383 121 HB3 GLU 26 3HB GLU 26 -3.261 -5.326 -17.944 122 HG2 GLU 26 2HG GLU 26 -2.608 -3.212 -18.164 123 HG3 GLU 26 3HG GLU 26 -3.935 -2.834 -17.067 124 H LEU 27 H LEU 27 -3.958 -5.954 -13.958 125 HA LEU 27 HA LEU 27 -4.133 -3.351 -12.686 126 HB2 LEU 27 2HB LEU 27 -6.275 -5.217 -12.572 127 HB3 LEU 27 3HB LEU 27 -5.532 -5.133 -10.976 128 HG LEU 27 HG LEU 27 -5.804 -2.590 -11.199 129 HD11 LEU 27 1HD1 LEU 27 -8.121 -2.542 -12.717 130 HD12 LEU 27 2HD1 LEU 27 -6.992 -3.497 -13.677 131 HD13 LEU 27 3HD1 LEU 27 -6.553 -1.868 -13.163 132 HD21 LEU 27 1HD2 LEU 27 -7.873 -2.682 -10.129 133 HD22 LEU 27 2HD2 LEU 27 -7.169 -4.267 -9.813 134 HD23 LEU 27 3HD2 LEU 27 -8.402 -4.082 -11.061 135 H SER 28 H SER 28 -3.508 -3.517 -10.325 136 HA SER 28 HA SER 28 -1.671 -5.766 -9.858 137 HB2 SER 28 2HB SER 28 -0.795 -3.139 -8.825 138 HB3 SER 28 3HB SER 28 0.149 -4.439 -9.551 139 HG SER 28 HG SER 28 -1.512 -2.616 -10.959 140 H VAL 29 H VAL 29 -1.799 -6.641 -7.884 141 HA VAL 29 HA VAL 29 -2.828 -5.088 -5.645 142 HB VAL 29 HB VAL 29 -4.829 -6.111 -6.714 143 HG11 VAL 29 1HG1 VAL 29 -4.280 -8.800 -5.745 144 HG12 VAL 29 2HG1 VAL 29 -4.955 -8.267 -7.286 145 HG13 VAL 29 3HG1 VAL 29 -3.206 -8.308 -7.054 146 HG21 VAL 29 1HG2 VAL 29 -4.179 -7.261 -4.003 147 HG22 VAL 29 2HG2 VAL 29 -4.727 -5.611 -4.294 148 HG23 VAL 29 3HG2 VAL 29 -5.786 -6.970 -4.669 149 H ASP 30 H ASP 30 -2.368 -6.004 -3.600 150 HA ASP 30 HA ASP 30 0.031 -7.565 -3.553 151 HB2 ASP 30 2HB ASP 30 -1.750 -6.596 -1.307 152 HB3 ASP 30 3HB ASP 30 -0.178 -7.360 -1.083 153 H SER 31 H SER 31 0.337 -9.659 -2.914 154 HA SER 31 HA SER 31 -1.965 -11.396 -3.103 155 HB2 SER 31 2HB SER 31 0.991 -11.744 -3.132 156 HB3 SER 31 3HB SER 31 0.023 -13.119 -2.602 157 HG SER 31 HG SER 31 0.098 -11.845 -5.101 158 H ASN 32 H ASN 32 -2.997 -12.377 -1.476 159 HA ASN 32 HA ASN 32 -1.865 -13.099 0.990 160 HB2 ASN 32 2HB ASN 32 -2.905 -11.476 2.491 161 HB3 ASN 32 3HB ASN 32 -1.819 -10.660 1.369 162 HD21 ASN 32 1HD2 ASN 32 -2.892 -9.812 -0.633 163 HD22 ASN 32 2HD2 ASN 32 -4.438 -9.067 -0.436 164 H HIS 33 H HIS 33 -4.823 -12.034 -0.635 165 HA HIS 33 HA HIS 33 -6.410 -13.944 0.893 166 HB2 HIS 33 2HB HIS 33 -6.939 -11.481 -0.520 167 HB3 HIS 33 3HB HIS 33 -8.026 -12.752 -1.071 168 HD1 HIS 33 HD1 HIS 33 -9.989 -13.250 0.385 169 HD2 HIS 33 HD2 HIS 33 -7.072 -11.054 2.368 170 HE1 HIS 33 HE1 HIS 33 -11.000 -12.639 2.605 171 H THR 34 H THR 34 -8.131 -15.135 -0.488 172 HA THR 34 HA THR 34 -6.708 -16.887 -2.244 173 HB THR 34 HB THR 34 -8.714 -18.174 -2.387 174 HG1 THR 34 HG1 THR 34 -10.165 -16.108 -1.092 175 HG21 THR 34 1HG2 THR 34 -8.574 -16.936 0.366 176 HG22 THR 34 2HG2 THR 34 -7.563 -18.258 -0.219 177 HG23 THR 34 3HG2 THR 34 -9.302 -18.490 -0.037 178 H LEU 35 H LEU 35 -7.680 -17.517 -4.399 179 HA LEU 35 HA LEU 35 -7.488 -15.444 -6.214 180 HB2 LEU 35 2HB LEU 35 -7.841 -18.189 -6.330 181 HB3 LEU 35 3HB LEU 35 -9.261 -17.543 -7.150 182 HG LEU 35 HG LEU 35 -6.760 -16.318 -8.030 183 HD11 LEU 35 1HD1 LEU 35 -5.539 -18.186 -8.115 184 HD12 LEU 35 2HD1 LEU 35 -6.597 -18.652 -9.446 185 HD13 LEU 35 3HD1 LEU 35 -6.933 -19.224 -7.812 186 HD21 LEU 35 1HD2 LEU 35 -9.065 -17.691 -9.406 187 HD22 LEU 35 2HD2 LEU 35 -7.746 -16.865 -10.237 188 HD23 LEU 35 3HD2 LEU 35 -8.837 -15.955 -9.191 189 H ARG 36 H ARG 36 -10.252 -16.547 -4.411 190 HA ARG 36 HA ARG 36 -12.358 -15.542 -5.890 191 HB2 ARG 36 2HB ARG 36 -12.063 -16.661 -3.388 192 HB3 ARG 36 3HB ARG 36 -12.636 -15.040 -3.021 193 HG2 ARG 36 2HG ARG 36 -14.183 -16.138 -5.162 194 HG3 ARG 36 3HG ARG 36 -14.144 -17.269 -3.808 195 HD2 ARG 36 2HD ARG 36 -14.959 -15.590 -2.303 196 HD3 ARG 36 3HD ARG 36 -14.814 -14.344 -3.542 197 HE ARG 36 HE ARG 36 -16.808 -15.042 -4.438 198 HH11 ARG 36 1HH1 ARG 36 -15.657 -17.422 -2.173 199 HH12 ARG 36 2HH1 ARG 36 -17.125 -18.341 -2.193 200 HH21 ARG 36 1HH2 ARG 36 -18.746 -16.244 -4.473 201 HH22 ARG 36 2HH2 ARG 36 -18.881 -17.671 -3.502 202 H ASP 37 H ASP 37 -10.179 -13.850 -3.692 203 HA ASP 37 HA ASP 37 -11.563 -11.372 -3.742 204 HB2 ASP 37 2HB ASP 37 -9.898 -12.063 -1.997 205 HB3 ASP 37 3HB ASP 37 -8.624 -11.821 -3.190 206 H VAL 38 H VAL 38 -8.740 -12.598 -5.518 207 HA VAL 38 HA VAL 38 -8.181 -10.291 -6.991 208 HB VAL 38 HB VAL 38 -7.799 -13.133 -7.936 209 HG11 VAL 38 1HG1 VAL 38 -7.230 -11.931 -9.779 210 HG12 VAL 38 2HG1 VAL 38 -6.845 -10.480 -8.851 211 HG13 VAL 38 3HG1 VAL 38 -5.700 -11.821 -8.910 212 HG21 VAL 38 1HG2 VAL 38 -6.562 -13.321 -6.066 213 HG22 VAL 38 2HG2 VAL 38 -5.385 -12.368 -6.969 214 HG23 VAL 38 3HG2 VAL 38 -6.470 -11.576 -5.827 215 H LEU 39 H LEU 39 -10.288 -13.041 -7.763 216 HA LEU 39 HA LEU 39 -11.036 -12.174 -10.333 217 HB2 LEU 39 2HB LEU 39 -11.705 -14.291 -8.543 218 HB3 LEU 39 3HB LEU 39 -13.195 -13.587 -9.168 219 HG LEU 39 HG LEU 39 -12.353 -15.552 -10.451 220 HD11 LEU 39 1HD1 LEU 39 -13.127 -12.949 -11.480 221 HD12 LEU 39 2HD1 LEU 39 -13.695 -14.558 -11.925 222 HD13 LEU 39 3HD1 LEU 39 -12.229 -13.907 -12.658 223 HD21 LEU 39 1HD2 LEU 39 -10.322 -15.636 -11.414 224 HD22 LEU 39 2HD2 LEU 39 -9.902 -14.446 -10.181 225 HD23 LEU 39 3HD2 LEU 39 -10.321 -13.917 -11.811 226 H ARG 40 H ARG 40 -12.326 -11.487 -7.135 227 HA ARG 40 HA ARG 40 -14.731 -10.271 -7.892 228 HB2 ARG 40 2HB ARG 40 -14.163 -10.913 -5.572 229 HB3 ARG 40 3HB ARG 40 -12.985 -9.609 -5.515 230 HG2 ARG 40 2HG ARG 40 -14.995 -8.089 -6.093 231 HG3 ARG 40 3HG ARG 40 -15.967 -9.458 -5.550 232 HD2 ARG 40 2HD ARG 40 -13.927 -9.074 -3.636 233 HD3 ARG 40 3HD ARG 40 -14.603 -7.486 -3.996 234 HE ARG 40 HE ARG 40 -16.662 -9.390 -3.576 235 HH11 ARG 40 1HH1 ARG 40 -14.296 -7.469 -1.893 236 HH12 ARG 40 2HH1 ARG 40 -15.209 -7.399 -0.422 237 HH21 ARG 40 1HH2 ARG 40 -17.872 -9.305 -1.645 238 HH22 ARG 40 2HH2 ARG 40 -17.242 -8.444 -0.281 239 H GLN 41 H GLN 41 -11.507 -8.877 -7.376 240 HA GLN 41 HA GLN 41 -12.241 -6.201 -7.880 241 HB2 GLN 41 2HB GLN 41 -9.995 -7.398 -6.971 242 HB3 GLN 41 3HB GLN 41 -9.503 -7.041 -8.621 243 HG2 GLN 41 2HG GLN 41 -9.414 -4.823 -8.262 244 HG3 GLN 41 3HG GLN 41 -10.801 -4.834 -7.173 245 HE21 GLN 41 1HE2 GLN 41 -7.780 -6.657 -7.008 246 HE22 GLN 41 2HE2 GLN 41 -7.269 -6.016 -5.487 247 H PHE 42 H PHE 42 -10.685 -8.613 -9.991 248 HA PHE 42 HA PHE 42 -10.592 -7.034 -12.297 249 HB2 PHE 42 2HB PHE 42 -10.340 -9.900 -11.663 250 HB3 PHE 42 3HB PHE 42 -10.860 -9.554 -13.309 251 HD1 PHE 42 HD1 PHE 42 -8.111 -10.402 -11.583 252 HD2 PHE 42 HD2 PHE 42 -9.428 -7.289 -14.169 253 HE1 PHE 42 HE1 PHE 42 -5.778 -9.947 -12.217 254 HE2 PHE 42 HE2 PHE 42 -7.097 -6.829 -14.808 255 HZ PHE 42 HZ PHE 42 -5.268 -8.159 -13.833 256 H LYS 43 H LYS 43 -13.157 -9.009 -10.949 257 HA LYS 43 HA LYS 43 -14.851 -8.978 -13.222 258 HB2 LYS 43 2HB LYS 43 -15.118 -10.617 -11.425 259 HB3 LYS 43 3HB LYS 43 -15.526 -9.332 -10.296 260 HG2 LYS 43 2HG LYS 43 -17.233 -9.259 -12.621 261 HG3 LYS 43 3HG LYS 43 -17.283 -10.836 -11.830 262 HD2 LYS 43 2HD LYS 43 -17.514 -8.312 -10.231 263 HD3 LYS 43 3HD LYS 43 -18.922 -8.991 -11.052 264 HE2 LYS 43 2HE LYS 43 -17.188 -10.614 -9.209 265 HE3 LYS 43 3HE LYS 43 -18.557 -9.669 -8.626 266 HZ1 LYS 43 1HZ LYS 43 -18.643 -12.225 -9.599 267 HZ2 LYS 43 2HZ LYS 43 -19.263 -11.289 -10.864 268 HZ3 LYS 43 3HZ LYS 43 -19.971 -11.211 -9.330 269 H ARG 44 H ARG 44 -14.405 -6.810 -10.500 270 HA ARG 44 HA ARG 44 -16.717 -5.213 -11.103 271 HB2 ARG 44 2HB ARG 44 -14.381 -4.867 -9.232 272 HB3 ARG 44 3HB ARG 44 -15.599 -3.616 -9.443 273 HG2 ARG 44 2HG ARG 44 -16.503 -6.373 -8.799 274 HG3 ARG 44 3HG ARG 44 -15.775 -5.398 -7.520 275 HD2 ARG 44 2HD ARG 44 -17.472 -3.594 -8.554 276 HD3 ARG 44 3HD ARG 44 -18.353 -5.075 -8.930 277 HE ARG 44 HE ARG 44 -17.520 -5.149 -6.247 278 HH11 ARG 44 1HH1 ARG 44 -19.765 -3.483 -8.322 279 HH12 ARG 44 2HH1 ARG 44 -20.906 -3.173 -7.056 280 HH21 ARG 44 1HH2 ARG 44 -19.014 -4.746 -4.571 281 HH22 ARG 44 2HH2 ARG 44 -20.477 -3.890 -4.923 282 H GLU 45 H GLU 45 -13.404 -5.293 -12.086 283 HA GLU 45 HA GLU 45 -13.537 -2.601 -13.211 284 HB2 GLU 45 2HB GLU 45 -11.245 -4.571 -13.242 285 HB3 GLU 45 3HB GLU 45 -11.171 -2.876 -13.702 286 HG2 GLU 45 2HG GLU 45 -11.987 -3.720 -10.947 287 HG3 GLU 45 3HG GLU 45 -10.294 -3.533 -11.400 288 H VAL 46 H VAL 46 -14.143 -5.794 -14.116 289 HA VAL 46 HA VAL 46 -13.697 -5.224 -16.965 290 HB VAL 46 HB VAL 46 -12.792 -7.358 -15.841 291 HG11 VAL 46 1HG1 VAL 46 -15.119 -7.748 -14.780 292 HG12 VAL 46 2HG1 VAL 46 -15.537 -8.439 -16.349 293 HG13 VAL 46 3HG1 VAL 46 -14.220 -9.132 -15.401 294 HG21 VAL 46 1HG2 VAL 46 -14.196 -7.056 -18.425 295 HG22 VAL 46 2HG2 VAL 46 -12.516 -7.476 -18.088 296 HG23 VAL 46 3HG2 VAL 46 -13.778 -8.700 -17.941 297 H ALA 47 H ALA 47 -16.145 -5.750 -14.581 298 HA ALA 47 HA ALA 47 -18.281 -6.509 -16.254 299 HB1 ALA 47 1HB ALA 47 -19.668 -5.444 -14.344 300 HB2 ALA 47 2HB ALA 47 -18.682 -6.867 -14.002 301 HB3 ALA 47 3HB ALA 47 -18.108 -5.264 -13.540 302 H ALA 48 H ALA 48 -16.621 -3.561 -15.947 303 HA ALA 48 HA ALA 48 -18.774 -1.805 -16.637 304 HB1 ALA 48 1HB ALA 48 -16.960 -0.852 -15.446 305 HB2 ALA 48 2HB ALA 48 -15.785 -1.456 -16.615 306 HB3 ALA 48 3HB ALA 48 -16.905 -0.173 -17.073 307 H LEU 49 H LEU 49 -16.581 -3.819 -18.393 308 HA LEU 49 HA LEU 49 -17.467 -2.597 -20.922 309 HB2 LEU 49 2HB LEU 49 -15.141 -4.450 -20.793 310 HB3 LEU 49 3HB LEU 49 -15.459 -3.121 -21.906 311 HG LEU 49 HG LEU 49 -15.092 -1.673 -19.724 312 HD11 LEU 49 1HD1 LEU 49 -14.077 -4.345 -19.028 313 HD12 LEU 49 2HD1 LEU 49 -14.604 -3.021 -17.990 314 HD13 LEU 49 3HD1 LEU 49 -12.985 -3.002 -18.690 315 HD21 LEU 49 1HD2 LEU 49 -13.066 -2.870 -21.579 316 HD22 LEU 49 2HD2 LEU 49 -12.589 -1.723 -20.328 317 HD23 LEU 49 3HD2 LEU 49 -13.745 -1.242 -21.571 318 H ASP 50 H ASP 50 -17.403 -5.459 -19.002 319 HA ASP 50 HA ASP 50 -18.395 -7.091 -21.226 320 HB2 ASP 50 2HB ASP 50 -16.534 -7.824 -19.548 321 HB3 ASP 50 3HB ASP 50 -17.885 -8.147 -18.464 322 HA PRO 51 HA PRO 51 -22.440 -6.081 -19.495 323 HB2 PRO 51 2HB PRO 51 -23.824 -6.962 -21.659 324 HB3 PRO 51 3HB PRO 51 -23.046 -5.376 -21.596 325 HG2 PRO 51 2HG PRO 51 -22.082 -7.909 -22.867 326 HG3 PRO 51 3HG PRO 51 -22.029 -6.252 -23.495 327 HD2 PRO 51 2HD PRO 51 -19.876 -7.457 -22.381 328 HD3 PRO 51 3HD PRO 51 -20.161 -5.709 -22.259 329 H ILE 52 H ILE 52 -21.063 -9.067 -20.510 330 HA ILE 52 HA ILE 52 -23.331 -10.616 -19.501 331 HB ILE 52 HB ILE 52 -20.795 -11.637 -20.781 332 HG12 ILE 52 2HG1 ILE 52 -23.009 -11.996 -22.492 333 HG13 ILE 52 3HG1 ILE 52 -23.084 -10.326 -21.941 334 HG21 ILE 52 1HG2 ILE 52 -23.300 -12.900 -19.797 335 HG22 ILE 52 2HG2 ILE 52 -22.532 -13.570 -21.235 336 HG23 ILE 52 3HG2 ILE 52 -21.636 -13.478 -19.719 337 HD11 ILE 52 1HD1 ILE 52 -21.837 -10.576 -24.033 338 HD12 ILE 52 2HD1 ILE 52 -20.835 -9.935 -22.730 339 HD13 ILE 52 3HD1 ILE 52 -20.685 -11.626 -23.208 340 H ASN 53 H ASN 53 -23.155 -12.077 -17.804 341 HA ASN 53 HA ASN 53 -21.426 -11.333 -15.693 342 HB2 ASN 53 2HB ASN 53 -23.458 -13.473 -16.129 343 HB3 ASN 53 3HB ASN 53 -22.331 -13.665 -14.790 344 HD21 ASN 53 1HD2 ASN 53 -22.732 -12.632 -12.950 345 HD22 ASN 53 2HD2 ASN 53 -23.953 -11.431 -12.726 346 H LEU 54 H LEU 54 -19.321 -11.737 -15.622 347 HA LEU 54 HA LEU 54 -17.998 -13.654 -17.200 348 HB2 LEU 54 2HB LEU 54 -16.718 -11.828 -16.504 349 HB3 LEU 54 3HB LEU 54 -17.202 -12.017 -14.820 350 HG LEU 54 HG LEU 54 -15.722 -14.317 -15.804 351 HD11 LEU 54 1HD1 LEU 54 -13.589 -13.294 -16.087 352 HD12 LEU 54 2HD1 LEU 54 -14.235 -11.701 -15.700 353 HD13 LEU 54 3HD1 LEU 54 -14.710 -12.504 -17.196 354 HD21 LEU 54 1HD2 LEU 54 -14.625 -12.628 -13.671 355 HD22 LEU 54 2HD2 LEU 54 -14.997 -14.352 -13.680 356 HD23 LEU 54 3HD2 LEU 54 -16.281 -13.173 -13.404 357 H GLU 55 H GLU 55 -19.387 -13.795 -14.005 358 HA GLU 55 HA GLU 55 -18.076 -16.065 -13.019 359 HB2 GLU 55 2HB GLU 55 -20.143 -16.337 -11.598 360 HB3 GLU 55 3HB GLU 55 -19.366 -14.763 -11.504 361 HG2 GLU 55 2HG GLU 55 -21.078 -13.694 -12.564 362 HG3 GLU 55 3HG GLU 55 -21.563 -15.128 -13.466 363 H GLU 56 H GLU 56 -20.378 -15.733 -15.522 364 HA GLU 56 HA GLU 56 -21.321 -18.469 -15.372 365 HB2 GLU 56 2HB GLU 56 -21.783 -16.330 -17.458 366 HB3 GLU 56 3HB GLU 56 -22.576 -17.898 -17.425 367 HG2 GLU 56 2HG GLU 56 -23.457 -17.267 -15.148 368 HG3 GLU 56 3HG GLU 56 -22.874 -15.636 -15.475 369 H TYR 57 H TYR 57 -18.475 -17.242 -16.219 370 HA TYR 57 HA TYR 57 -18.037 -19.291 -18.282 371 HB2 TYR 57 2HB TYR 57 -16.932 -16.475 -18.289 372 HB3 TYR 57 3HB TYR 57 -16.433 -17.750 -19.396 373 HD1 TYR 57 HD1 TYR 57 -17.902 -14.909 -19.743 374 HD2 TYR 57 HD2 TYR 57 -19.103 -18.985 -19.954 375 HE1 TYR 57 HE1 TYR 57 -19.726 -14.286 -21.272 376 HE2 TYR 57 HE2 TYR 57 -20.929 -18.374 -21.484 377 HH TYR 57 HH TYR 57 -21.102 -15.461 -23.071 378 H VAL 58 H VAL 58 -15.627 -19.729 -18.557 379 HA VAL 58 HA VAL 58 -14.356 -19.742 -15.897 380 HB VAL 58 HB VAL 58 -13.171 -21.785 -16.612 381 HG11 VAL 58 1HG1 VAL 58 -15.106 -23.303 -16.503 382 HG12 VAL 58 2HG1 VAL 58 -15.213 -21.996 -15.322 383 HG13 VAL 58 3HG1 VAL 58 -16.178 -21.935 -16.798 384 HG21 VAL 58 1HG2 VAL 58 -13.019 -22.180 -18.800 385 HG22 VAL 58 2HG2 VAL 58 -14.687 -22.748 -18.724 386 HG23 VAL 58 3HG2 VAL 58 -14.345 -21.075 -19.165 387 H VAL 59 H VAL 59 -12.188 -19.250 -15.717 388 HA VAL 59 HA VAL 59 -10.890 -18.209 -18.151 389 HB VAL 59 HB VAL 59 -9.822 -16.481 -16.830 390 HG11 VAL 59 1HG1 VAL 59 -11.933 -15.251 -16.057 391 HG12 VAL 59 2HG1 VAL 59 -11.833 -15.727 -17.754 392 HG13 VAL 59 3HG1 VAL 59 -12.809 -16.671 -16.628 393 HG21 VAL 59 1HG2 VAL 59 -10.714 -16.154 -14.442 394 HG22 VAL 59 2HG2 VAL 59 -11.197 -17.847 -14.540 395 HG23 VAL 59 3HG2 VAL 59 -9.499 -17.404 -14.709 396 H ASN 60 H ASN 60 -8.846 -18.849 -18.550 397 HA ASN 60 HA ASN 60 -7.618 -20.676 -16.603 398 HB2 ASN 60 2HB ASN 60 -6.311 -21.525 -18.550 399 HB3 ASN 60 3HB ASN 60 -8.050 -21.733 -18.733 400 HD21 ASN 60 1HD2 ASN 60 -5.243 -20.582 -20.139 401 HD22 ASN 60 2HD2 ASN 60 -5.950 -19.687 -21.437 402 H HIS 61 H HIS 61 -5.486 -20.443 -15.983 403 HA HIS 61 HA HIS 61 -4.262 -17.851 -16.658 404 HB2 HIS 61 2HB HIS 61 -2.985 -18.273 -14.457 405 HB3 HIS 61 3HB HIS 61 -4.679 -17.801 -14.352 406 HD1 HIS 61 HD1 HIS 61 -6.394 -19.793 -13.844 407 HD2 HIS 61 HD2 HIS 61 -2.372 -20.659 -13.267 408 HE1 HIS 61 HE1 HIS 61 -6.350 -21.879 -12.440 409 H GLU 62 H GLU 62 -2.584 -17.989 -17.981 410 HA GLU 62 HA GLU 62 -0.764 -18.774 -19.101 411 HB2 GLU 62 2HB GLU 62 -0.318 -19.839 -16.328 412 HB3 GLU 62 3HB GLU 62 0.821 -20.191 -17.620 413 HG2 GLU 62 2HG GLU 62 0.032 -17.365 -17.137 414 HG3 GLU 62 3HG GLU 62 1.163 -18.140 -16.029 415 H GLY 63 H GLY 63 -3.220 -20.300 -19.286 416 HA2 GLY 63 2HA GLY 63 -3.766 -22.177 -20.546 417 HA3 GLY 63 3HA GLY 63 -2.095 -22.708 -20.430 418 H LYS 64 H LYS 64 -3.436 -21.862 -17.436 419 HA LYS 64 HA LYS 64 -3.892 -24.708 -16.818 420 HB2 LYS 64 2HB LYS 64 -2.898 -22.486 -15.025 421 HB3 LYS 64 3HB LYS 64 -3.269 -24.117 -14.480 422 HG2 LYS 64 2HG LYS 64 -1.561 -24.795 -16.349 423 HG3 LYS 64 3HG LYS 64 -0.995 -23.137 -16.130 424 HD2 LYS 64 2HD LYS 64 -1.070 -23.795 -13.584 425 HD3 LYS 64 3HD LYS 64 -0.947 -25.434 -14.228 426 HE2 LYS 64 2HE LYS 64 1.160 -25.090 -15.070 427 HE3 LYS 64 3HE LYS 64 0.922 -23.353 -15.250 428 HZ1 LYS 64 1HZ LYS 64 0.762 -23.673 -12.587 429 HZ2 LYS 64 2HZ LYS 64 2.170 -23.235 -13.415 430 HZ3 LYS 64 3HZ LYS 64 1.907 -24.851 -12.989 431 H LEU 65 H LEU 65 -5.859 -25.283 -16.160 432 HA LEU 65 HA LEU 65 -7.864 -23.218 -15.750 433 HB2 LEU 65 2HB LEU 65 -7.890 -26.141 -16.295 434 HB3 LEU 65 3HB LEU 65 -9.287 -25.435 -15.486 435 HG LEU 65 HG LEU 65 -8.642 -23.853 -17.777 436 HD11 LEU 65 1HD1 LEU 65 -9.430 -25.940 -19.287 437 HD12 LEU 65 2HD1 LEU 65 -8.385 -26.764 -18.130 438 HD13 LEU 65 3HD1 LEU 65 -7.749 -25.438 -19.102 439 HD21 LEU 65 1HD2 LEU 65 -10.821 -23.839 -16.865 440 HD22 LEU 65 2HD2 LEU 65 -10.950 -25.596 -16.948 441 HD23 LEU 65 3HD2 LEU 65 -10.955 -24.639 -18.431 442 H LEU 66 H LEU 66 -8.571 -22.581 -13.824 443 HA LEU 66 HA LEU 66 -7.470 -23.674 -11.425 444 HB2 LEU 66 2HB LEU 66 -8.295 -21.243 -12.032 445 HB3 LEU 66 3HB LEU 66 -9.820 -21.845 -11.386 446 HG LEU 66 HG LEU 66 -8.600 -22.401 -9.267 447 HD11 LEU 66 1HD1 LEU 66 -6.340 -22.443 -10.327 448 HD12 LEU 66 2HD1 LEU 66 -6.439 -21.478 -8.855 449 HD13 LEU 66 3HD1 LEU 66 -6.416 -20.684 -10.430 450 HD21 LEU 66 1HD2 LEU 66 -8.489 -19.495 -10.061 451 HD22 LEU 66 2HD2 LEU 66 -8.649 -20.151 -8.431 452 HD23 LEU 66 3HD2 LEU 66 -9.960 -20.348 -9.595 453 H LEU 67 H LEU 67 -8.685 -24.520 -9.629 454 HA LEU 67 HA LEU 67 -10.999 -26.105 -10.515 455 HB2 LEU 67 2HB LEU 67 -8.711 -27.018 -9.459 456 HB3 LEU 67 3HB LEU 67 -9.624 -26.748 -7.976 457 HG LEU 67 HG LEU 67 -10.948 -28.301 -10.132 458 HD11 LEU 67 1HD1 LEU 67 -9.786 -30.343 -8.965 459 HD12 LEU 67 2HD1 LEU 67 -8.503 -29.170 -8.672 460 HD13 LEU 67 3HD1 LEU 67 -9.018 -29.518 -10.322 461 HD21 LEU 67 1HD2 LEU 67 -11.334 -29.616 -7.813 462 HD22 LEU 67 2HD2 LEU 67 -12.349 -28.284 -8.366 463 HD23 LEU 67 3HD2 LEU 67 -11.056 -27.984 -7.204 464 H ASP 68 H ASP 68 -9.925 -23.705 -8.278 465 HA ASP 68 HA ASP 68 -12.588 -23.084 -7.491 466 HB2 ASP 68 2HB ASP 68 -11.414 -25.094 -5.974 467 HB3 ASP 68 3HB ASP 68 -11.164 -23.640 -5.012 468 H ASP 69 H ASP 69 -12.633 -21.273 -5.892 469 HA ASP 69 HA ASP 69 -10.384 -19.485 -6.429 470 HB2 ASP 69 2HB ASP 69 -12.960 -18.700 -5.085 471 HB3 ASP 69 3HB ASP 69 -11.839 -17.685 -5.989 472 H SER 70 H SER 70 -10.399 -21.684 -4.385 473 HA SER 70 HA SER 70 -10.232 -20.198 -1.882 474 HB2 SER 70 2HB SER 70 -10.322 -23.087 -2.629 475 HB3 SER 70 3HB SER 70 -9.552 -22.646 -1.105 476 HG SER 70 HG SER 70 -12.040 -23.026 -1.381 477 H VAL 71 H VAL 71 -8.207 -21.340 -4.387 478 HA VAL 71 HA VAL 71 -5.802 -21.456 -2.787 479 HB VAL 71 HB VAL 71 -4.651 -21.744 -4.986 480 HG11 VAL 71 1HG1 VAL 71 -5.693 -23.601 -3.553 481 HG12 VAL 71 2HG1 VAL 71 -6.948 -23.664 -4.792 482 HG13 VAL 71 3HG1 VAL 71 -5.267 -23.984 -5.220 483 HG21 VAL 71 1HG2 VAL 71 -5.928 -22.017 -7.000 484 HG22 VAL 71 2HG2 VAL 71 -7.443 -21.798 -6.125 485 HG23 VAL 71 3HG2 VAL 71 -6.323 -20.447 -6.301 486 H THR 72 H THR 72 -4.189 -19.954 -2.685 487 HA THR 72 HA THR 72 -4.895 -17.237 -3.233 488 HB THR 72 HB THR 72 -2.951 -16.608 -2.095 489 HG1 THR 72 HG1 THR 72 -1.167 -18.067 -1.851 490 HG21 THR 72 1HG2 THR 72 -3.065 -19.205 -0.714 491 HG22 THR 72 2HG2 THR 72 -4.621 -18.406 -0.936 492 HG23 THR 72 3HG2 THR 72 -3.317 -17.575 -0.089 493 H LEU 73 H LEU 73 -2.696 -15.956 -4.073 494 HA LEU 73 HA LEU 73 -2.698 -16.475 -6.881 495 HB2 LEU 73 2HB LEU 73 -2.324 -14.262 -5.390 496 HB3 LEU 73 3HB LEU 73 -0.649 -14.673 -5.757 497 HG LEU 73 HG LEU 73 -1.390 -13.077 -7.366 498 HD11 LEU 73 1HD1 LEU 73 -1.540 -15.735 -8.761 499 HD12 LEU 73 2HD1 LEU 73 -0.037 -15.071 -8.123 500 HD13 LEU 73 3HD1 LEU 73 -0.918 -14.207 -9.384 501 HD21 LEU 73 1HD2 LEU 73 -3.520 -14.752 -8.519 502 HD22 LEU 73 2HD2 LEU 73 -3.426 -13.001 -8.330 503 HD23 LEU 73 3HD2 LEU 73 -3.886 -14.013 -6.960 504 H GLN 74 H GLN 74 -0.183 -16.618 -4.366 505 HA GLN 74 HA GLN 74 1.780 -17.706 -6.134 506 HB2 GLN 74 2HB GLN 74 1.969 -16.429 -3.790 507 HB3 GLN 74 3HB GLN 74 2.040 -18.083 -3.197 508 HG2 GLN 74 2HG GLN 74 3.907 -18.489 -4.810 509 HG3 GLN 74 3HG GLN 74 3.899 -16.760 -5.153 510 HE21 GLN 74 1HE2 GLN 74 5.173 -15.530 -3.967 511 HE22 GLN 74 2HE2 GLN 74 5.866 -15.957 -2.444 512 H THR 75 H THR 75 -0.578 -19.027 -3.910 513 HA THR 75 HA THR 75 0.397 -21.628 -3.651 514 HB THR 75 HB THR 75 -2.472 -20.674 -3.696 515 HG1 THR 75 HG1 THR 75 -0.650 -21.209 -1.566 516 HG21 THR 75 1HG2 THR 75 -2.507 -23.028 -4.103 517 HG22 THR 75 2HG2 THR 75 -2.890 -22.788 -2.398 518 HG23 THR 75 3HG2 THR 75 -1.277 -23.318 -2.873 519 H VAL 76 H VAL 76 -1.427 -20.113 -6.237 520 HA VAL 76 HA VAL 76 -2.004 -22.553 -7.621 521 HB VAL 76 HB VAL 76 -2.052 -19.707 -8.634 522 HG11 VAL 76 1HG1 VAL 76 -3.060 -22.286 -9.809 523 HG12 VAL 76 2HG1 VAL 76 -3.632 -20.703 -10.337 524 HG13 VAL 76 3HG1 VAL 76 -1.931 -21.132 -10.519 525 HG21 VAL 76 1HG2 VAL 76 -4.048 -19.443 -7.673 526 HG22 VAL 76 2HG2 VAL 76 -4.602 -21.030 -8.206 527 HG23 VAL 76 3HG2 VAL 76 -3.665 -20.877 -6.720 528 H GLY 77 H GLY 77 0.653 -20.327 -7.529 529 HA2 GLY 77 2HA GLY 77 2.811 -20.758 -8.328 530 HA3 GLY 77 3HA GLY 77 2.165 -22.074 -9.297 531 H VAL 78 H VAL 78 0.854 -18.820 -9.303 532 HA VAL 78 HA VAL 78 0.983 -18.633 -12.128 533 HB VAL 78 HB VAL 78 0.591 -16.350 -10.192 534 HG11 VAL 78 1HG1 VAL 78 -0.890 -15.589 -12.161 535 HG12 VAL 78 2HG1 VAL 78 0.861 -15.424 -12.310 536 HG13 VAL 78 3HG1 VAL 78 0.029 -16.760 -13.106 537 HG21 VAL 78 1HG2 VAL 78 -1.013 -17.926 -9.525 538 HG22 VAL 78 2HG2 VAL 78 -1.876 -16.854 -10.628 539 HG23 VAL 78 3HG2 VAL 78 -1.329 -18.436 -11.184 540 H LYS 79 H LYS 79 2.301 -17.420 -13.459 541 HA LYS 79 HA LYS 79 4.996 -17.077 -12.593 542 HB2 LYS 79 2HB LYS 79 3.616 -17.238 -15.066 543 HB3 LYS 79 3HB LYS 79 4.504 -15.720 -15.067 544 HG2 LYS 79 2HG LYS 79 6.398 -17.407 -14.130 545 HG3 LYS 79 3HG LYS 79 5.482 -18.485 -15.187 546 HD2 LYS 79 2HD LYS 79 6.607 -17.629 -16.907 547 HD3 LYS 79 3HD LYS 79 5.767 -16.102 -16.623 548 HE2 LYS 79 2HE LYS 79 7.615 -15.692 -14.860 549 HE3 LYS 79 3HE LYS 79 8.488 -16.964 -15.712 550 HZ1 LYS 79 1HZ LYS 79 9.162 -15.399 -17.108 551 HZ2 LYS 79 2HZ LYS 79 8.123 -14.243 -16.441 552 HZ3 LYS 79 3HZ LYS 79 7.571 -15.266 -17.670 553 H LYS 80 H LYS 80 6.127 -14.925 -13.335 554 HA LYS 80 HA LYS 80 5.331 -12.913 -11.561 555 HB2 LYS 80 2HB LYS 80 7.635 -13.147 -12.345 556 HB3 LYS 80 3HB LYS 80 7.139 -12.722 -13.978 557 HG2 LYS 80 2HG LYS 80 6.561 -10.492 -13.269 558 HG3 LYS 80 3HG LYS 80 6.911 -10.904 -11.588 559 HD2 LYS 80 2HD LYS 80 9.265 -11.471 -12.401 560 HD3 LYS 80 3HD LYS 80 8.827 -10.629 -13.889 561 HE2 LYS 80 2HE LYS 80 9.963 -9.091 -12.438 562 HE3 LYS 80 3HE LYS 80 8.263 -8.631 -12.528 563 HZ1 LYS 80 1HZ LYS 80 9.663 -8.961 -10.246 564 HZ2 LYS 80 2HZ LYS 80 8.866 -10.447 -10.377 565 HZ3 LYS 80 3HZ LYS 80 7.976 -9.009 -10.361 566 H ASP 81 H ASP 81 4.999 -13.104 -15.096 567 HA ASP 81 HA ASP 81 3.683 -10.622 -15.395 568 HB2 ASP 81 2HB ASP 81 4.813 -12.056 -17.199 569 HB3 ASP 81 3HB ASP 81 3.312 -12.978 -17.237 570 H SER 82 H SER 82 2.472 -13.936 -15.057 571 HA SER 82 HA SER 82 0.420 -14.769 -14.534 572 HB2 SER 82 2HB SER 82 -0.358 -12.095 -13.408 573 HB3 SER 82 3HB SER 82 -0.768 -13.707 -12.822 574 HG SER 82 HG SER 82 1.414 -12.148 -12.279 575 H VAL 83 H VAL 83 -0.087 -14.861 -16.800 576 HA VAL 83 HA VAL 83 -2.052 -12.835 -17.651 577 HB VAL 83 HB VAL 83 -0.166 -12.846 -19.150 578 HG11 VAL 83 1HG1 VAL 83 1.033 -14.673 -19.536 579 HG12 VAL 83 2HG1 VAL 83 -0.124 -15.620 -18.599 580 HG13 VAL 83 3HG1 VAL 83 -0.343 -15.429 -20.339 581 HG21 VAL 83 1HG2 VAL 83 -2.506 -14.298 -20.382 582 HG22 VAL 83 2HG2 VAL 83 -2.373 -12.555 -20.152 583 HG23 VAL 83 3HG2 VAL 83 -1.281 -13.384 -21.261 584 H PHE 84 H PHE 84 -4.088 -13.495 -17.647 585 HA PHE 84 HA PHE 84 -4.655 -16.331 -18.203 586 HB2 PHE 84 2HB PHE 84 -6.710 -15.171 -16.562 587 HB3 PHE 84 3HB PHE 84 -5.695 -16.573 -16.238 588 HD1 PHE 84 HD1 PHE 84 -6.451 -13.212 -15.342 589 HD2 PHE 84 HD2 PHE 84 -3.375 -16.153 -15.264 590 HE1 PHE 84 HE1 PHE 84 -5.305 -11.961 -13.560 591 HE2 PHE 84 HE2 PHE 84 -2.225 -14.907 -13.482 592 HZ PHE 84 HZ PHE 84 -3.189 -12.809 -12.626 593 H VAL 85 H VAL 85 -6.254 -16.744 -19.632 594 HA VAL 85 HA VAL 85 -7.611 -14.415 -20.813 595 HB VAL 85 HB VAL 85 -7.871 -15.703 -22.840 596 HG11 VAL 85 1HG1 VAL 85 -5.701 -15.555 -23.586 597 HG12 VAL 85 2HG1 VAL 85 -5.618 -14.579 -22.118 598 HG13 VAL 85 3HG1 VAL 85 -5.031 -16.243 -22.107 599 HG21 VAL 85 1HG2 VAL 85 -8.223 -17.905 -22.312 600 HG22 VAL 85 2HG2 VAL 85 -6.541 -17.974 -22.835 601 HG23 VAL 85 3HG2 VAL 85 -6.928 -17.941 -21.115 602 H LEU 86 H LEU 86 -9.817 -14.448 -21.197 603 HA LEU 86 HA LEU 86 -11.309 -16.370 -19.572 604 HB2 LEU 86 2HB LEU 86 -11.895 -14.178 -19.015 605 HB3 LEU 86 3HB LEU 86 -11.929 -13.664 -20.701 606 HG LEU 86 HG LEU 86 -13.991 -14.999 -21.023 607 HD11 LEU 86 1HD1 LEU 86 -15.004 -16.206 -19.379 608 HD12 LEU 86 2HD1 LEU 86 -14.329 -15.221 -18.081 609 HD13 LEU 86 3HD1 LEU 86 -13.322 -16.418 -18.895 610 HD21 LEU 86 1HD2 LEU 86 -15.385 -13.523 -19.378 611 HD22 LEU 86 2HD2 LEU 86 -14.486 -12.776 -20.699 612 HD23 LEU 86 3HD2 LEU 86 -13.828 -12.756 -19.062 613 H VAL 87 H VAL 87 -12.718 -17.812 -20.398 614 HA VAL 87 HA VAL 87 -13.422 -17.634 -23.241 615 HB VAL 87 HB VAL 87 -13.046 -20.066 -23.510 616 HG11 VAL 87 1HG1 VAL 87 -11.360 -18.614 -24.360 617 HG12 VAL 87 2HG1 VAL 87 -10.672 -18.373 -22.752 618 HG13 VAL 87 3HG1 VAL 87 -10.541 -19.945 -23.543 619 HG21 VAL 87 1HG2 VAL 87 -11.456 -19.986 -20.966 620 HG22 VAL 87 2HG2 VAL 87 -13.154 -20.462 -20.982 621 HG23 VAL 87 3HG2 VAL 87 -11.970 -21.388 -21.904 622 H ARG 88 H ARG 88 -15.330 -18.775 -23.829 623 HA ARG 88 HA ARG 88 -17.302 -18.817 -21.744 624 HB2 ARG 88 2HB ARG 88 -17.576 -19.672 -24.630 625 HB3 ARG 88 3HB ARG 88 -18.888 -19.311 -23.517 626 HG2 ARG 88 2HG ARG 88 -17.668 -16.983 -23.364 627 HG3 ARG 88 3HG ARG 88 -17.045 -17.470 -24.941 628 HD2 ARG 88 2HD ARG 88 -19.137 -17.471 -25.916 629 HD3 ARG 88 3HD ARG 88 -19.966 -17.708 -24.378 630 HE ARG 88 HE ARG 88 -18.883 -15.258 -24.093 631 HH11 ARG 88 1HH1 ARG 88 -20.809 -16.713 -26.602 632 HH12 ARG 88 2HH1 ARG 88 -21.556 -15.222 -27.073 633 HH21 ARG 88 1HH2 ARG 88 -19.860 -13.289 -24.704 634 HH22 ARG 88 2HH2 ARG 88 -21.015 -13.276 -25.994 635 H LYS 89 H LYS 89 -17.647 -20.478 -20.441 636 HA LYS 89 HA LYS 89 -16.628 -23.103 -21.055 637 HB2 LYS 89 2HB LYS 89 -16.622 -22.028 -18.758 638 HB3 LYS 89 3HB LYS 89 -18.356 -22.318 -18.709 639 HG2 LYS 89 2HG LYS 89 -16.901 -24.711 -19.424 640 HG3 LYS 89 3HG LYS 89 -16.355 -24.045 -17.883 641 HD2 LYS 89 2HD LYS 89 -18.277 -24.570 -16.843 642 HD3 LYS 89 3HD LYS 89 -19.266 -24.070 -18.217 643 HE2 LYS 89 2HE LYS 89 -19.677 -26.274 -18.407 644 HE3 LYS 89 3HE LYS 89 -18.111 -26.302 -19.216 645 HZ1 LYS 89 1HZ LYS 89 -17.370 -27.649 -17.645 646 HZ2 LYS 89 2HZ LYS 89 -18.867 -27.607 -16.858 647 HZ3 LYS 89 3HZ LYS 89 -17.671 -26.478 -16.461 648 H ALA 90 H ALA 90 -19.787 -21.555 -20.802 649 HA ALA 90 HA ALA 90 -20.947 -23.716 -22.365 650 HB1 ALA 90 1HB ALA 90 -21.227 -24.402 -20.000 651 HB2 ALA 90 2HB ALA 90 -22.160 -22.931 -19.720 652 HB3 ALA 90 3HB ALA 90 -22.757 -24.153 -20.843 Start of MODEL 3 1 H1 MET 10 H MET 10 10.950 -3.377 0.875 2 HA MET 10 HA MET 10 10.522 -1.160 0.608 3 HB2 MET 10 2HB MET 10 11.592 -2.102 -1.930 4 HB3 MET 10 3HB MET 10 10.550 -0.699 -2.132 5 HG2 MET 10 2HG MET 10 12.111 -0.010 0.023 6 HG3 MET 10 3HG MET 10 13.223 -0.898 -1.016 7 HE1 MET 10 1HE MET 10 10.424 1.740 -1.011 8 HE2 MET 10 2HE MET 10 11.791 2.621 -0.328 9 HE3 MET 10 3HE MET 10 11.141 3.082 -1.903 10 H SER 11 H SER 11 8.702 -3.363 -1.393 11 HA SER 11 HA SER 11 6.268 -1.924 -0.823 12 HB2 SER 11 2HB SER 11 7.417 -0.977 -3.001 13 HB3 SER 11 3HB SER 11 6.737 -2.428 -3.736 14 HG SER 11 HG SER 11 5.464 -0.282 -3.523 15 H GLU 12 H GLU 12 4.408 -3.085 -2.177 16 HA GLU 12 HA GLU 12 4.932 -5.946 -2.419 17 HB2 GLU 12 2HB GLU 12 4.189 -5.337 -0.037 18 HB3 GLU 12 3HB GLU 12 2.618 -4.994 -0.747 19 HG2 GLU 12 2HG GLU 12 2.203 -7.199 -1.241 20 HG3 GLU 12 3HG GLU 12 3.914 -7.624 -1.274 21 H THR 13 H THR 13 4.508 -4.306 -4.521 22 HA THR 13 HA THR 13 1.675 -4.437 -5.218 23 HB THR 13 HB THR 13 3.036 -3.451 -7.435 24 HG1 THR 13 HG1 THR 13 4.578 -2.087 -6.675 25 HG21 THR 13 1HG2 THR 13 2.097 -1.281 -6.737 26 HG22 THR 13 2HG2 THR 13 1.757 -1.956 -5.143 27 HG23 THR 13 3HG2 THR 13 0.932 -2.593 -6.566 28 H ILE 14 H ILE 14 0.846 -5.692 -6.838 29 HA ILE 14 HA ILE 14 2.679 -7.399 -8.358 30 HB ILE 14 HB ILE 14 0.288 -8.457 -6.844 31 HG12 ILE 14 2HG1 ILE 14 2.242 -7.989 -5.405 32 HG13 ILE 14 3HG1 ILE 14 1.911 -9.713 -5.527 33 HG21 ILE 14 1HG2 ILE 14 2.136 -9.673 -8.860 34 HG22 ILE 14 2HG2 ILE 14 1.345 -10.673 -7.644 35 HG23 ILE 14 3HG2 ILE 14 0.376 -9.735 -8.780 36 HD11 ILE 14 1HD1 ILE 14 3.765 -8.893 -7.563 37 HD12 ILE 14 2HD1 ILE 14 4.334 -8.421 -5.962 38 HD13 ILE 14 3HD1 ILE 14 3.945 -10.108 -6.298 39 HA PRO 15 HA PRO 15 -0.309 -5.715 -11.311 40 HB2 PRO 15 2HB PRO 15 1.263 -6.168 -13.478 41 HB3 PRO 15 3HB PRO 15 1.466 -4.766 -12.420 42 HG2 PRO 15 2HG PRO 15 2.988 -7.344 -12.461 43 HG3 PRO 15 3HG PRO 15 3.596 -5.688 -12.284 44 HD2 PRO 15 2HD PRO 15 3.272 -7.353 -10.174 45 HD3 PRO 15 3HD PRO 15 3.061 -5.595 -10.045 46 H VAL 16 H VAL 16 -1.570 -6.656 -12.974 47 HA VAL 16 HA VAL 16 -1.176 -9.499 -13.526 48 HB VAL 16 HB VAL 16 -3.539 -10.016 -13.056 49 HG11 VAL 16 1HG1 VAL 16 -2.245 -8.857 -10.599 50 HG12 VAL 16 2HG1 VAL 16 -3.314 -10.257 -10.711 51 HG13 VAL 16 3HG1 VAL 16 -1.682 -10.337 -11.376 52 HG21 VAL 16 1HG2 VAL 16 -4.264 -7.593 -13.292 53 HG22 VAL 16 2HG2 VAL 16 -5.006 -8.515 -11.984 54 HG23 VAL 16 3HG2 VAL 16 -3.708 -7.374 -11.633 55 H SER 17 H SER 17 -2.268 -10.251 -15.392 56 HA SER 17 HA SER 17 -3.472 -8.163 -17.077 57 HB2 SER 17 2HB SER 17 -2.013 -10.092 -18.664 58 HB3 SER 17 3HB SER 17 -1.877 -8.334 -18.645 59 HG SER 17 HG SER 17 0.064 -8.999 -17.946 60 H VAL 18 H VAL 18 -5.247 -8.762 -18.192 61 HA VAL 18 HA VAL 18 -5.940 -11.623 -18.255 62 HB VAL 18 HB VAL 18 -7.969 -9.444 -17.778 63 HG11 VAL 18 1HG1 VAL 18 -8.041 -12.352 -18.152 64 HG12 VAL 18 2HG1 VAL 18 -8.988 -11.761 -16.785 65 HG13 VAL 18 3HG1 VAL 18 -9.298 -11.141 -18.407 66 HG21 VAL 18 1HG2 VAL 18 -7.768 -10.942 -15.451 67 HG22 VAL 18 2HG2 VAL 18 -6.095 -10.639 -15.919 68 HG23 VAL 18 3HG2 VAL 18 -7.205 -9.288 -15.689 69 H GLN 19 H GLN 19 -6.876 -12.360 -20.105 70 HA GLN 19 HA GLN 19 -7.132 -10.413 -22.294 71 HB2 GLN 19 2HB GLN 19 -6.624 -13.391 -22.408 72 HB3 GLN 19 3HB GLN 19 -6.785 -12.337 -23.807 73 HG2 GLN 19 2HG GLN 19 -4.825 -11.170 -22.180 74 HG3 GLN 19 3HG GLN 19 -4.479 -12.898 -22.209 75 HE21 GLN 19 1HE2 GLN 19 -4.688 -9.982 -24.066 76 HE22 GLN 19 2HE2 GLN 19 -3.931 -10.591 -25.494 77 H CYS 20 H CYS 20 -8.995 -10.231 -23.424 78 HA CYS 20 HA CYS 20 -11.151 -12.147 -22.877 79 HB2 CYS 20 2HB CYS 20 -12.736 -10.161 -22.817 80 HB3 CYS 20 3HB CYS 20 -11.697 -10.364 -21.412 81 HG CYS 20 HG CYS 20 -10.130 -8.239 -21.807 82 H CYS 21 H CYS 21 -12.716 -12.343 -24.519 83 HA CYS 21 HA CYS 21 -11.751 -12.143 -27.137 84 HB2 CYS 21 2HB CYS 21 -13.801 -13.473 -25.976 85 HB3 CYS 21 3HB CYS 21 -14.690 -12.192 -26.792 86 HG CYS 21 HG CYS 21 -12.498 -14.279 -28.387 87 H GLU 22 H GLU 22 -13.244 -9.811 -25.134 88 HA GLU 22 HA GLU 22 -14.200 -8.163 -27.316 89 HB2 GLU 22 2HB GLU 22 -15.028 -8.408 -24.764 90 HB3 GLU 22 3HB GLU 22 -13.953 -7.028 -24.590 91 HG2 GLU 22 2HG GLU 22 -15.197 -5.895 -26.411 92 HG3 GLU 22 3HG GLU 22 -16.327 -7.248 -26.425 93 H GLY 23 H GLY 23 -11.335 -8.533 -25.434 94 HA2 GLY 23 2HA GLY 23 -9.659 -7.066 -27.014 95 HA3 GLY 23 3HA GLY 23 -10.309 -5.886 -25.886 96 H ARG 24 H ARG 24 -8.795 -5.461 -24.423 97 HA ARG 24 HA ARG 24 -7.642 -7.698 -22.933 98 HB2 ARG 24 2HB ARG 24 -5.407 -6.499 -22.981 99 HB3 ARG 24 3HB ARG 24 -5.894 -7.286 -24.477 100 HG2 ARG 24 2HG ARG 24 -6.121 -5.332 -25.597 101 HG3 ARG 24 3HG ARG 24 -6.632 -4.441 -24.162 102 HD2 ARG 24 2HD ARG 24 -4.522 -3.877 -23.604 103 HD3 ARG 24 3HD ARG 24 -3.866 -5.436 -24.101 104 HE ARG 24 HE ARG 24 -4.528 -4.177 -26.438 105 HH11 ARG 24 1HH1 ARG 24 -2.502 -3.432 -23.706 106 HH12 ARG 24 2HH1 ARG 24 -1.383 -2.485 -24.629 107 HH21 ARG 24 1HH2 ARG 24 -3.061 -2.932 -27.663 108 HH22 ARG 24 2HH2 ARG 24 -1.702 -2.200 -26.879 109 H PHE 25 H PHE 25 -7.291 -7.283 -20.792 110 HA PHE 25 HA PHE 25 -7.602 -4.538 -19.827 111 HB2 PHE 25 2HB PHE 25 -9.836 -5.731 -19.795 112 HB3 PHE 25 3HB PHE 25 -9.144 -6.829 -18.605 113 HD1 PHE 25 HD1 PHE 25 -9.899 -6.398 -16.490 114 HD2 PHE 25 HD2 PHE 25 -9.115 -3.126 -19.097 115 HE1 PHE 25 HE1 PHE 25 -10.498 -4.828 -14.693 116 HE2 PHE 25 HE2 PHE 25 -9.712 -1.551 -17.304 117 HZ PHE 25 HZ PHE 25 -10.404 -2.400 -15.099 118 H GLU 26 H GLU 26 -6.304 -4.053 -18.149 119 HA GLU 26 HA GLU 26 -4.980 -6.273 -16.740 120 HB2 GLU 26 2HB GLU 26 -2.885 -5.011 -16.749 121 HB3 GLU 26 3HB GLU 26 -3.430 -5.337 -18.388 122 HG2 GLU 26 2HG GLU 26 -4.208 -3.087 -18.644 123 HG3 GLU 26 3HG GLU 26 -3.881 -2.736 -16.948 124 H LEU 27 H LEU 27 -4.322 -5.843 -14.590 125 HA LEU 27 HA LEU 27 -5.194 -3.337 -13.382 126 HB2 LEU 27 2HB LEU 27 -6.871 -5.501 -13.346 127 HB3 LEU 27 3HB LEU 27 -6.006 -5.673 -11.820 128 HG LEU 27 HG LEU 27 -6.694 -3.101 -11.616 129 HD11 LEU 27 1HD1 LEU 27 -7.971 -3.712 -13.937 130 HD12 LEU 27 2HD1 LEU 27 -8.449 -2.424 -12.831 131 HD13 LEU 27 3HD1 LEU 27 -9.242 -3.997 -12.748 132 HD21 LEU 27 1HD2 LEU 27 -8.256 -3.775 -10.050 133 HD22 LEU 27 2HD2 LEU 27 -7.228 -5.201 -10.191 134 HD23 LEU 27 3HD2 LEU 27 -8.787 -5.151 -11.017 135 H SER 28 H SER 28 -4.558 -3.255 -11.027 136 HA SER 28 HA SER 28 -2.161 -4.875 -10.498 137 HB2 SER 28 2HB SER 28 -1.999 -2.133 -9.478 138 HB3 SER 28 3HB SER 28 -0.794 -3.086 -10.342 139 HG SER 28 HG SER 28 -1.978 -2.592 -12.279 140 H VAL 29 H VAL 29 -2.269 -5.862 -8.601 141 HA VAL 29 HA VAL 29 -3.503 -4.539 -6.319 142 HB VAL 29 HB VAL 29 -5.337 -5.822 -7.402 143 HG11 VAL 29 1HG1 VAL 29 -3.825 -7.635 -8.261 144 HG12 VAL 29 2HG1 VAL 29 -3.791 -8.285 -6.621 145 HG13 VAL 29 3HG1 VAL 29 -5.315 -8.197 -7.504 146 HG21 VAL 29 1HG2 VAL 29 -6.128 -6.885 -5.379 147 HG22 VAL 29 2HG2 VAL 29 -4.489 -6.937 -4.730 148 HG23 VAL 29 3HG2 VAL 29 -5.292 -5.386 -4.971 149 H ASP 30 H ASP 30 -2.882 -5.411 -4.303 150 HA ASP 30 HA ASP 30 -0.299 -6.684 -4.347 151 HB2 ASP 30 2HB ASP 30 -2.045 -5.807 -2.037 152 HB3 ASP 30 3HB ASP 30 -0.394 -6.400 -1.882 153 H SER 31 H SER 31 0.231 -8.720 -3.692 154 HA SER 31 HA SER 31 -1.914 -10.659 -3.661 155 HB2 SER 31 2HB SER 31 0.432 -10.849 -4.810 156 HB3 SER 31 3HB SER 31 0.966 -11.368 -3.212 157 HG SER 31 HG SER 31 0.300 -13.243 -3.925 158 H ASN 32 H ASN 32 -2.717 -11.684 -1.933 159 HA ASN 32 HA ASN 32 -1.331 -12.218 0.451 160 HB2 ASN 32 2HB ASN 32 -2.406 -10.655 1.990 161 HB3 ASN 32 3HB ASN 32 -1.492 -9.776 0.768 162 HD21 ASN 32 1HD2 ASN 32 -2.793 -9.103 -1.168 163 HD22 ASN 32 2HD2 ASN 32 -4.383 -8.498 -0.867 164 H HIS 33 H HIS 33 -4.498 -11.486 -0.949 165 HA HIS 33 HA HIS 33 -5.768 -13.487 0.747 166 HB2 HIS 33 2HB HIS 33 -6.657 -11.176 -0.802 167 HB3 HIS 33 3HB HIS 33 -7.692 -12.583 -1.026 168 HD1 HIS 33 HD1 HIS 33 -5.990 -11.478 2.180 169 HD2 HIS 33 HD2 HIS 33 -9.796 -11.958 0.584 170 HE1 HIS 33 HE1 HIS 33 -7.576 -11.060 4.086 171 H THR 34 H THR 34 -7.460 -14.890 -0.455 172 HA THR 34 HA THR 34 -6.010 -16.554 -2.274 173 HB THR 34 HB THR 34 -7.925 -18.015 -2.248 174 HG1 THR 34 HG1 THR 34 -9.869 -17.308 -1.184 175 HG21 THR 34 1HG2 THR 34 -7.543 -16.779 0.483 176 HG22 THR 34 2HG2 THR 34 -6.518 -18.020 -0.238 177 HG23 THR 34 3HG2 THR 34 -8.198 -18.383 0.155 178 H LEU 35 H LEU 35 -7.370 -17.434 -4.241 179 HA LEU 35 HA LEU 35 -7.365 -15.511 -6.223 180 HB2 LEU 35 2HB LEU 35 -7.462 -18.090 -6.362 181 HB3 LEU 35 3HB LEU 35 -9.210 -17.868 -6.351 182 HG LEU 35 HG LEU 35 -8.735 -16.272 -8.363 183 HD11 LEU 35 1HD1 LEU 35 -6.172 -17.710 -7.995 184 HD12 LEU 35 2HD1 LEU 35 -6.490 -16.101 -8.641 185 HD13 LEU 35 3HD1 LEU 35 -6.771 -17.524 -9.643 186 HD21 LEU 35 1HD2 LEU 35 -8.640 -18.430 -9.839 187 HD22 LEU 35 2HD2 LEU 35 -10.059 -18.088 -8.848 188 HD23 LEU 35 3HD2 LEU 35 -8.855 -19.252 -8.293 189 H ARG 36 H ARG 36 -9.889 -16.355 -3.979 190 HA ARG 36 HA ARG 36 -12.143 -15.362 -5.234 191 HB2 ARG 36 2HB ARG 36 -11.418 -16.153 -2.608 192 HB3 ARG 36 3HB ARG 36 -12.217 -14.592 -2.478 193 HG2 ARG 36 2HG ARG 36 -13.830 -15.979 -4.224 194 HG3 ARG 36 3HG ARG 36 -13.322 -17.210 -3.067 195 HD2 ARG 36 2HD ARG 36 -14.042 -15.745 -1.226 196 HD3 ARG 36 3HD ARG 36 -14.591 -14.555 -2.405 197 HE ARG 36 HE ARG 36 -16.467 -15.820 -2.753 198 HH11 ARG 36 1HH1 ARG 36 -14.083 -17.746 -1.102 199 HH12 ARG 36 2HH1 ARG 36 -15.161 -19.072 -0.818 200 HH21 ARG 36 1HH2 ARG 36 -17.896 -17.559 -2.386 201 HH22 ARG 36 2HH2 ARG 36 -17.329 -18.966 -1.550 202 H ASP 37 H ASP 37 -9.507 -13.640 -3.719 203 HA ASP 37 HA ASP 37 -10.831 -11.096 -3.694 204 HB2 ASP 37 2HB ASP 37 -9.097 -11.449 -2.080 205 HB3 ASP 37 3HB ASP 37 -7.943 -11.901 -3.332 206 H VAL 38 H VAL 38 -8.336 -12.603 -5.724 207 HA VAL 38 HA VAL 38 -7.943 -10.435 -7.462 208 HB VAL 38 HB VAL 38 -7.683 -13.352 -8.197 209 HG11 VAL 38 1HG1 VAL 38 -7.462 -12.014 -10.131 210 HG12 VAL 38 2HG1 VAL 38 -6.486 -10.814 -9.281 211 HG13 VAL 38 3HG1 VAL 38 -5.819 -12.409 -9.628 212 HG21 VAL 38 1HG2 VAL 38 -6.059 -11.627 -6.421 213 HG22 VAL 38 2HG2 VAL 38 -6.316 -13.372 -6.383 214 HG23 VAL 38 3HG2 VAL 38 -5.185 -12.672 -7.542 215 H LEU 39 H LEU 39 -10.173 -13.182 -7.627 216 HA LEU 39 HA LEU 39 -11.236 -12.506 -10.176 217 HB2 LEU 39 2HB LEU 39 -11.566 -14.567 -8.234 218 HB3 LEU 39 3HB LEU 39 -13.156 -13.949 -8.675 219 HG LEU 39 HG LEU 39 -12.395 -14.322 -11.106 220 HD11 LEU 39 1HD1 LEU 39 -10.291 -14.993 -11.360 221 HD12 LEU 39 2HD1 LEU 39 -10.792 -16.546 -10.693 222 HD13 LEU 39 3HD1 LEU 39 -10.108 -15.311 -9.635 223 HD21 LEU 39 1HD2 LEU 39 -12.877 -16.675 -9.280 224 HD22 LEU 39 2HD2 LEU 39 -13.119 -16.653 -11.027 225 HD23 LEU 39 3HD2 LEU 39 -14.119 -15.639 -9.985 226 H ARG 40 H ARG 40 -12.108 -11.718 -6.864 227 HA ARG 40 HA ARG 40 -14.651 -10.649 -7.307 228 HB2 ARG 40 2HB ARG 40 -13.887 -11.063 -5.065 229 HB3 ARG 40 3HB ARG 40 -12.547 -9.941 -5.261 230 HG2 ARG 40 2HG ARG 40 -13.857 -8.102 -4.970 231 HG3 ARG 40 3HG ARG 40 -15.297 -8.889 -5.619 232 HD2 ARG 40 2HD ARG 40 -15.206 -10.350 -3.512 233 HD3 ARG 40 3HD ARG 40 -14.089 -9.139 -2.884 234 HE ARG 40 HE ARG 40 -16.337 -7.792 -3.814 235 HH11 ARG 40 1HH1 ARG 40 -15.521 -10.106 -1.344 236 HH12 ARG 40 2HH1 ARG 40 -16.769 -9.585 -0.260 237 HH21 ARG 40 1HH2 ARG 40 -17.983 -7.097 -2.396 238 HH22 ARG 40 2HH2 ARG 40 -18.169 -7.874 -0.860 239 H GLN 41 H GLN 41 -11.460 -9.108 -7.440 240 HA GLN 41 HA GLN 41 -12.523 -6.527 -8.089 241 HB2 GLN 41 2HB GLN 41 -10.107 -7.440 -7.153 242 HB3 GLN 41 3HB GLN 41 -9.728 -7.028 -8.819 243 HG2 GLN 41 2HG GLN 41 -9.925 -4.823 -8.460 244 HG3 GLN 41 3HG GLN 41 -11.293 -5.016 -7.365 245 HE21 GLN 41 1HE2 GLN 41 -8.044 -6.395 -7.201 246 HE22 GLN 41 2HE2 GLN 41 -7.623 -5.676 -5.687 247 H PHE 42 H PHE 42 -11.163 -9.227 -9.896 248 HA PHE 42 HA PHE 42 -10.942 -7.938 -12.389 249 HB2 PHE 42 2HB PHE 42 -9.787 -9.986 -12.151 250 HB3 PHE 42 3HB PHE 42 -11.229 -10.828 -11.592 251 HD1 PHE 42 HD1 PHE 42 -12.193 -12.282 -13.069 252 HD2 PHE 42 HD2 PHE 42 -10.130 -8.881 -14.584 253 HE1 PHE 42 HE1 PHE 42 -12.644 -13.036 -15.368 254 HE2 PHE 42 HE2 PHE 42 -10.579 -9.629 -16.884 255 HZ PHE 42 HZ PHE 42 -11.838 -11.708 -17.279 256 H LYS 43 H LYS 43 -13.534 -9.952 -11.025 257 HA LYS 43 HA LYS 43 -15.255 -9.668 -13.272 258 HB2 LYS 43 2HB LYS 43 -16.930 -10.741 -11.912 259 HB3 LYS 43 3HB LYS 43 -15.387 -11.540 -11.637 260 HG2 LYS 43 2HG LYS 43 -15.986 -11.346 -9.481 261 HG3 LYS 43 3HG LYS 43 -15.323 -9.720 -9.661 262 HD2 LYS 43 2HD LYS 43 -17.319 -8.795 -9.310 263 HD3 LYS 43 3HD LYS 43 -18.072 -9.818 -10.536 264 HE2 LYS 43 2HE LYS 43 -18.921 -11.211 -9.004 265 HE3 LYS 43 3HE LYS 43 -17.420 -11.250 -8.081 266 HZ1 LYS 43 1HZ LYS 43 -18.202 -9.762 -6.647 267 HZ2 LYS 43 2HZ LYS 43 -19.729 -10.027 -7.323 268 HZ3 LYS 43 3HZ LYS 43 -18.776 -8.739 -7.866 269 H ARG 44 H ARG 44 -14.723 -7.831 -10.356 270 HA ARG 44 HA ARG 44 -17.126 -6.318 -10.443 271 HB2 ARG 44 2HB ARG 44 -14.543 -6.162 -8.982 272 HB3 ARG 44 3HB ARG 44 -15.490 -4.684 -9.089 273 HG2 ARG 44 2HG ARG 44 -16.903 -7.150 -8.255 274 HG3 ARG 44 3HG ARG 44 -15.778 -6.419 -7.108 275 HD2 ARG 44 2HD ARG 44 -16.962 -4.335 -7.186 276 HD3 ARG 44 3HD ARG 44 -17.990 -4.915 -8.496 277 HE ARG 44 HE ARG 44 -18.144 -6.489 -6.089 278 HH11 ARG 44 1HH1 ARG 44 -19.398 -3.740 -7.819 279 HH12 ARG 44 2HH1 ARG 44 -20.915 -3.742 -6.983 280 HH21 ARG 44 1HH2 ARG 44 -20.138 -6.501 -4.981 281 HH22 ARG 44 2HH2 ARG 44 -21.335 -5.312 -5.368 282 H GLU 45 H GLU 45 -14.099 -6.113 -12.105 283 HA GLU 45 HA GLU 45 -14.700 -3.411 -13.064 284 HB2 GLU 45 2HB GLU 45 -12.234 -5.132 -13.366 285 HB3 GLU 45 3HB GLU 45 -12.418 -3.532 -14.071 286 HG2 GLU 45 2HG GLU 45 -12.710 -3.999 -11.126 287 HG3 GLU 45 3HG GLU 45 -11.139 -3.730 -11.877 288 H VAL 46 H VAL 46 -14.230 -6.716 -14.201 289 HA VAL 46 HA VAL 46 -14.308 -6.275 -16.950 290 HB VAL 46 HB VAL 46 -13.919 -8.472 -15.584 291 HG11 VAL 46 1HG1 VAL 46 -15.720 -9.887 -15.242 292 HG12 VAL 46 2HG1 VAL 46 -16.387 -8.315 -14.799 293 HG13 VAL 46 3HG1 VAL 46 -16.752 -9.016 -16.376 294 HG21 VAL 46 1HG2 VAL 46 -15.111 -8.168 -18.310 295 HG22 VAL 46 2HG2 VAL 46 -13.458 -8.576 -17.851 296 HG23 VAL 46 3HG2 VAL 46 -14.742 -9.773 -17.677 297 H ALA 47 H ALA 47 -16.836 -6.156 -14.589 298 HA ALA 47 HA ALA 47 -19.031 -6.498 -16.374 299 HB1 ALA 47 1HB ALA 47 -19.529 -6.934 -14.138 300 HB2 ALA 47 2HB ALA 47 -18.768 -5.443 -13.580 301 HB3 ALA 47 3HB ALA 47 -20.303 -5.379 -14.446 302 H ALA 48 H ALA 48 -16.862 -3.951 -15.836 303 HA ALA 48 HA ALA 48 -18.520 -1.712 -16.278 304 HB1 ALA 48 1HB ALA 48 -15.574 -2.136 -16.730 305 HB2 ALA 48 2HB ALA 48 -16.378 -0.579 -16.933 306 HB3 ALA 48 3HB ALA 48 -16.358 -1.361 -15.353 307 H LEU 49 H LEU 49 -16.792 -3.866 -18.472 308 HA LEU 49 HA LEU 49 -18.030 -2.459 -20.744 309 HB2 LEU 49 2HB LEU 49 -16.206 -3.813 -22.024 310 HB3 LEU 49 3HB LEU 49 -15.795 -2.309 -21.203 311 HG LEU 49 HG LEU 49 -15.435 -4.837 -19.689 312 HD11 LEU 49 1HD1 LEU 49 -14.559 -5.123 -22.098 313 HD12 LEU 49 2HD1 LEU 49 -13.485 -5.502 -20.752 314 HD13 LEU 49 3HD1 LEU 49 -13.313 -3.973 -21.614 315 HD21 LEU 49 1HD2 LEU 49 -14.833 -2.978 -18.456 316 HD22 LEU 49 2HD2 LEU 49 -14.173 -2.132 -19.856 317 HD23 LEU 49 3HD2 LEU 49 -13.288 -3.481 -19.143 318 H ASP 50 H ASP 50 -17.747 -5.446 -19.046 319 HA ASP 50 HA ASP 50 -19.126 -6.903 -21.183 320 HB2 ASP 50 2HB ASP 50 -17.076 -7.869 -20.041 321 HB3 ASP 50 3HB ASP 50 -18.067 -8.041 -18.595 322 HA PRO 51 HA PRO 51 -22.814 -5.938 -18.763 323 HB2 PRO 51 2HB PRO 51 -24.548 -6.638 -20.731 324 HB3 PRO 51 3HB PRO 51 -23.723 -5.075 -20.688 325 HG2 PRO 51 2HG PRO 51 -23.050 -7.530 -22.263 326 HG3 PRO 51 3HG PRO 51 -23.047 -5.834 -22.780 327 HD2 PRO 51 2HD PRO 51 -20.782 -7.156 -22.108 328 HD3 PRO 51 3HD PRO 51 -20.991 -5.416 -21.825 329 H ILE 52 H ILE 52 -22.060 -8.876 -20.552 330 HA ILE 52 HA ILE 52 -24.095 -10.457 -19.298 331 HB ILE 52 HB ILE 52 -23.089 -10.960 -21.547 332 HG12 ILE 52 2HG1 ILE 52 -22.588 -13.460 -20.126 333 HG13 ILE 52 3HG1 ILE 52 -24.059 -12.659 -19.583 334 HG21 ILE 52 1HG2 ILE 52 -20.751 -10.557 -20.953 335 HG22 ILE 52 2HG2 ILE 52 -20.780 -11.960 -19.886 336 HG23 ILE 52 3HG2 ILE 52 -20.976 -12.171 -21.626 337 HD11 ILE 52 1HD1 ILE 52 -25.076 -12.850 -21.642 338 HD12 ILE 52 2HD1 ILE 52 -23.544 -13.029 -22.498 339 HD13 ILE 52 3HD1 ILE 52 -24.170 -14.358 -21.522 340 H ASN 53 H ASN 53 -23.856 -12.029 -17.705 341 HA ASN 53 HA ASN 53 -21.997 -11.423 -15.646 342 HB2 ASN 53 2HB ASN 53 -24.344 -13.058 -15.965 343 HB3 ASN 53 3HB ASN 53 -23.081 -13.984 -15.159 344 HD21 ASN 53 1HD2 ASN 53 -24.416 -13.970 -13.291 345 HD22 ASN 53 2HD2 ASN 53 -24.472 -12.582 -12.263 346 H LEU 54 H LEU 54 -19.926 -11.967 -15.623 347 HA LEU 54 HA LEU 54 -18.792 -13.884 -17.378 348 HB2 LEU 54 2HB LEU 54 -16.709 -13.438 -16.236 349 HB3 LEU 54 3HB LEU 54 -17.565 -11.933 -16.562 350 HG LEU 54 HG LEU 54 -17.984 -13.127 -13.890 351 HD11 LEU 54 1HD1 LEU 54 -15.906 -12.881 -13.058 352 HD12 LEU 54 2HD1 LEU 54 -15.521 -11.528 -14.120 353 HD13 LEU 54 3HD1 LEU 54 -15.426 -13.180 -14.728 354 HD21 LEU 54 1HD2 LEU 54 -18.801 -11.090 -13.580 355 HD22 LEU 54 2HD2 LEU 54 -18.315 -10.628 -15.212 356 HD23 LEU 54 3HD2 LEU 54 -17.200 -10.407 -13.863 357 H GLU 55 H GLU 55 -20.262 -14.129 -14.304 358 HA GLU 55 HA GLU 55 -18.909 -16.304 -13.184 359 HB2 GLU 55 2HB GLU 55 -21.479 -14.961 -12.796 360 HB3 GLU 55 3HB GLU 55 -21.531 -16.676 -12.414 361 HG2 GLU 55 2HG GLU 55 -19.827 -16.456 -10.784 362 HG3 GLU 55 3HG GLU 55 -19.456 -14.813 -11.301 363 H GLU 56 H GLU 56 -21.013 -16.131 -15.890 364 HA GLU 56 HA GLU 56 -21.695 -18.947 -15.847 365 HB2 GLU 56 2HB GLU 56 -22.148 -17.027 -18.125 366 HB3 GLU 56 3HB GLU 56 -23.015 -18.514 -17.773 367 HG2 GLU 56 2HG GLU 56 -23.784 -17.385 -15.636 368 HG3 GLU 56 3HG GLU 56 -23.170 -15.888 -16.335 369 H TYR 57 H TYR 57 -18.927 -17.434 -16.455 370 HA TYR 57 HA TYR 57 -18.161 -19.334 -18.572 371 HB2 TYR 57 2HB TYR 57 -16.947 -16.591 -18.228 372 HB3 TYR 57 3HB TYR 57 -16.706 -17.714 -19.561 373 HD1 TYR 57 HD1 TYR 57 -19.515 -18.523 -20.099 374 HD2 TYR 57 HD2 TYR 57 -17.843 -14.699 -19.270 375 HE1 TYR 57 HE1 TYR 57 -21.357 -17.457 -21.332 376 HE2 TYR 57 HE2 TYR 57 -19.681 -13.623 -20.500 377 HH TYR 57 HH TYR 57 -22.021 -15.496 -22.317 378 H VAL 58 H VAL 58 -15.718 -19.650 -18.620 379 HA VAL 58 HA VAL 58 -14.736 -19.857 -15.848 380 HB VAL 58 HB VAL 58 -13.925 -21.609 -18.168 381 HG11 VAL 58 1HG1 VAL 58 -13.105 -21.353 -15.360 382 HG12 VAL 58 2HG1 VAL 58 -13.421 -23.004 -15.898 383 HG13 VAL 58 3HG1 VAL 58 -12.233 -22.012 -16.744 384 HG21 VAL 58 1HG2 VAL 58 -16.080 -21.941 -16.109 385 HG22 VAL 58 2HG2 VAL 58 -16.168 -22.173 -17.855 386 HG23 VAL 58 3HG2 VAL 58 -15.303 -23.339 -16.854 387 H VAL 59 H VAL 59 -12.533 -19.469 -15.438 388 HA VAL 59 HA VAL 59 -11.126 -17.993 -17.569 389 HB VAL 59 HB VAL 59 -11.951 -16.517 -15.741 390 HG11 VAL 59 1HG1 VAL 59 -9.886 -17.438 -13.864 391 HG12 VAL 59 2HG1 VAL 59 -11.523 -16.856 -13.558 392 HG13 VAL 59 3HG1 VAL 59 -11.259 -18.527 -14.060 393 HG21 VAL 59 1HG2 VAL 59 -8.945 -16.708 -15.795 394 HG22 VAL 59 2HG2 VAL 59 -9.911 -16.031 -17.106 395 HG23 VAL 59 3HG2 VAL 59 -9.925 -15.268 -15.516 396 H ASN 60 H ASN 60 -9.052 -18.528 -17.970 397 HA ASN 60 HA ASN 60 -7.825 -20.560 -16.223 398 HB2 ASN 60 2HB ASN 60 -6.850 -21.601 -18.107 399 HB3 ASN 60 3HB ASN 60 -8.507 -21.250 -18.591 400 HD21 ASN 60 1HD2 ASN 60 -6.032 -21.631 -20.159 401 HD22 ASN 60 2HD2 ASN 60 -5.894 -20.217 -21.142 402 H HIS 61 H HIS 61 -5.644 -20.387 -15.730 403 HA HIS 61 HA HIS 61 -4.451 -17.759 -16.310 404 HB2 HIS 61 2HB HIS 61 -4.783 -17.958 -13.965 405 HB3 HIS 61 3HB HIS 61 -4.162 -19.606 -13.943 406 HD1 HIS 61 HD1 HIS 61 -2.367 -16.785 -15.667 407 HD2 HIS 61 HD2 HIS 61 -2.066 -19.079 -12.216 408 HE1 HIS 61 HE1 HIS 61 -0.118 -16.233 -14.687 409 H GLU 62 H GLU 62 -2.947 -17.856 -17.837 410 HA GLU 62 HA GLU 62 -1.255 -18.599 -19.170 411 HB2 GLU 62 2HB GLU 62 -0.374 -18.642 -16.561 412 HB3 GLU 62 3HB GLU 62 0.028 -20.258 -17.126 413 HG2 GLU 62 2HG GLU 62 0.748 -18.046 -18.932 414 HG3 GLU 62 3HG GLU 62 1.634 -18.128 -17.410 415 H GLY 63 H GLY 63 -3.642 -20.230 -19.067 416 HA2 GLY 63 2HA GLY 63 -4.167 -22.135 -20.332 417 HA3 GLY 63 3HA GLY 63 -2.496 -22.662 -20.192 418 H LYS 64 H LYS 64 -3.837 -21.674 -17.240 419 HA LYS 64 HA LYS 64 -4.163 -24.487 -16.446 420 HB2 LYS 64 2HB LYS 64 -3.625 -22.066 -14.717 421 HB3 LYS 64 3HB LYS 64 -3.723 -23.730 -14.157 422 HG2 LYS 64 2HG LYS 64 -1.733 -24.324 -15.304 423 HG3 LYS 64 3HG LYS 64 -1.703 -22.789 -16.175 424 HD2 LYS 64 2HD LYS 64 -1.226 -21.581 -14.166 425 HD3 LYS 64 3HD LYS 64 -1.489 -23.019 -13.177 426 HE2 LYS 64 2HE LYS 64 0.580 -23.119 -15.315 427 HE3 LYS 64 3HE LYS 64 0.939 -22.222 -13.841 428 HZ1 LYS 64 1HZ LYS 64 1.564 -24.194 -13.046 429 HZ2 LYS 64 2HZ LYS 64 0.773 -25.061 -14.263 430 HZ3 LYS 64 3HZ LYS 64 -0.087 -24.539 -12.903 431 H LEU 65 H LEU 65 -6.122 -25.211 -15.942 432 HA LEU 65 HA LEU 65 -8.338 -23.334 -15.808 433 HB2 LEU 65 2HB LEU 65 -7.993 -26.189 -16.377 434 HB3 LEU 65 3HB LEU 65 -9.438 -25.802 -15.445 435 HG LEU 65 HG LEU 65 -8.897 -24.258 -17.935 436 HD11 LEU 65 1HD1 LEU 65 -8.497 -26.553 -18.625 437 HD12 LEU 65 2HD1 LEU 65 -10.030 -25.968 -19.272 438 HD13 LEU 65 3HD1 LEU 65 -10.017 -27.057 -17.885 439 HD21 LEU 65 1HD2 LEU 65 -11.547 -25.348 -17.224 440 HD22 LEU 65 2HD2 LEU 65 -11.096 -23.750 -17.820 441 HD23 LEU 65 3HD2 LEU 65 -10.869 -24.153 -16.117 442 H LEU 66 H LEU 66 -8.998 -22.533 -13.937 443 HA LEU 66 HA LEU 66 -8.233 -23.795 -11.442 444 HB2 LEU 66 2HB LEU 66 -9.116 -21.154 -12.314 445 HB3 LEU 66 3HB LEU 66 -9.835 -21.661 -10.787 446 HG LEU 66 HG LEU 66 -7.842 -20.320 -10.413 447 HD11 LEU 66 1HD1 LEU 66 -8.358 -22.867 -9.342 448 HD12 LEU 66 2HD1 LEU 66 -7.466 -21.538 -8.601 449 HD13 LEU 66 3HD1 LEU 66 -6.610 -22.753 -9.551 450 HD21 LEU 66 1HD2 LEU 66 -6.647 -20.786 -12.469 451 HD22 LEU 66 2HD2 LEU 66 -6.416 -22.465 -11.983 452 HD23 LEU 66 3HD2 LEU 66 -5.632 -21.169 -11.079 453 H LEU 67 H LEU 67 -9.749 -24.284 -9.755 454 HA LEU 67 HA LEU 67 -12.431 -24.970 -10.766 455 HB2 LEU 67 2HB LEU 67 -10.403 -26.610 -9.559 456 HB3 LEU 67 3HB LEU 67 -11.855 -26.606 -8.559 457 HG LEU 67 HG LEU 67 -12.462 -27.034 -11.367 458 HD11 LEU 67 1HD1 LEU 67 -10.498 -28.851 -10.004 459 HD12 LEU 67 2HD1 LEU 67 -10.397 -28.125 -11.608 460 HD13 LEU 67 3HD1 LEU 67 -11.564 -29.410 -11.294 461 HD21 LEU 67 1HD2 LEU 67 -14.153 -27.545 -9.871 462 HD22 LEU 67 2HD2 LEU 67 -13.052 -28.318 -8.730 463 HD23 LEU 67 3HD2 LEU 67 -13.476 -29.132 -10.237 464 H ASP 68 H ASP 68 -10.547 -24.130 -7.880 465 HA ASP 68 HA ASP 68 -12.999 -22.966 -6.730 466 HB2 ASP 68 2HB ASP 68 -11.069 -24.838 -5.586 467 HB3 ASP 68 3HB ASP 68 -11.322 -23.416 -4.577 468 H ASP 69 H ASP 69 -12.268 -21.394 -4.838 469 HA ASP 69 HA ASP 69 -10.088 -19.702 -5.868 470 HB2 ASP 69 2HB ASP 69 -12.514 -18.508 -4.566 471 HB3 ASP 69 3HB ASP 69 -11.356 -17.755 -5.659 472 H SER 70 H SER 70 -10.172 -21.706 -3.701 473 HA SER 70 HA SER 70 -9.951 -20.087 -1.286 474 HB2 SER 70 2HB SER 70 -10.872 -22.633 -1.691 475 HB3 SER 70 3HB SER 70 -9.233 -22.937 -1.116 476 HG SER 70 HG SER 70 -11.018 -21.181 0.204 477 H VAL 71 H VAL 71 -7.960 -21.641 -3.654 478 HA VAL 71 HA VAL 71 -5.564 -21.788 -2.138 479 HB VAL 71 HB VAL 71 -4.424 -22.022 -4.314 480 HG11 VAL 71 1HG1 VAL 71 -6.946 -23.643 -3.988 481 HG12 VAL 71 2HG1 VAL 71 -5.597 -24.078 -5.040 482 HG13 VAL 71 3HG1 VAL 71 -5.364 -23.995 -3.293 483 HG21 VAL 71 1HG2 VAL 71 -7.094 -21.149 -5.328 484 HG22 VAL 71 2HG2 VAL 71 -5.482 -20.640 -5.830 485 HG23 VAL 71 3HG2 VAL 71 -6.094 -22.223 -6.307 486 H THR 72 H THR 72 -3.605 -20.517 -2.577 487 HA THR 72 HA THR 72 -4.260 -17.673 -2.684 488 HB THR 72 HB THR 72 -2.259 -17.233 -1.564 489 HG1 THR 72 HG1 THR 72 -0.476 -18.317 -1.958 490 HG21 THR 72 1HG2 THR 72 -2.525 -19.927 -0.376 491 HG22 THR 72 2HG2 THR 72 -3.996 -18.957 -0.444 492 HG23 THR 72 3HG2 THR 72 -2.571 -18.340 0.390 493 H LEU 73 H LEU 73 -2.270 -16.344 -3.619 494 HA LEU 73 HA LEU 73 -2.289 -16.783 -6.412 495 HB2 LEU 73 2HB LEU 73 -1.139 -14.833 -4.546 496 HB3 LEU 73 3HB LEU 73 -0.220 -15.054 -6.034 497 HG LEU 73 HG LEU 73 -2.746 -14.741 -7.003 498 HD11 LEU 73 1HD1 LEU 73 -4.091 -13.577 -5.669 499 HD12 LEU 73 2HD1 LEU 73 -2.802 -12.463 -5.216 500 HD13 LEU 73 3HD1 LEU 73 -2.993 -13.988 -4.351 501 HD21 LEU 73 1HD2 LEU 73 -0.318 -13.162 -6.767 502 HD22 LEU 73 2HD2 LEU 73 -1.765 -12.165 -6.911 503 HD23 LEU 73 3HD2 LEU 73 -1.401 -13.375 -8.142 504 H GLN 74 H GLN 74 0.214 -17.235 -3.938 505 HA GLN 74 HA GLN 74 2.167 -18.190 -5.792 506 HB2 GLN 74 2HB GLN 74 2.544 -17.125 -3.473 507 HB3 GLN 74 3HB GLN 74 2.207 -18.728 -2.834 508 HG2 GLN 74 2HG GLN 74 4.066 -19.652 -4.066 509 HG3 GLN 74 3HG GLN 74 4.372 -18.090 -4.824 510 HE21 GLN 74 1HE2 GLN 74 3.982 -19.477 -1.580 511 HE22 GLN 74 2HE2 GLN 74 5.280 -18.593 -0.860 512 H THR 75 H THR 75 -0.345 -19.643 -3.871 513 HA THR 75 HA THR 75 0.524 -22.292 -3.794 514 HB THR 75 HB THR 75 -2.304 -21.237 -3.984 515 HG1 THR 75 HG1 THR 75 -0.475 -21.652 -1.898 516 HG21 THR 75 1HG2 THR 75 -2.761 -23.487 -2.799 517 HG22 THR 75 2HG2 THR 75 -1.211 -23.985 -3.478 518 HG23 THR 75 3HG2 THR 75 -2.524 -23.491 -4.546 519 H VAL 76 H VAL 76 -1.641 -20.747 -6.172 520 HA VAL 76 HA VAL 76 -1.745 -23.013 -7.880 521 HB VAL 76 HB VAL 76 -2.653 -21.386 -9.572 522 HG11 VAL 76 1HG1 VAL 76 -4.506 -22.160 -8.605 523 HG12 VAL 76 2HG1 VAL 76 -3.768 -22.143 -7.002 524 HG13 VAL 76 3HG1 VAL 76 -4.510 -20.679 -7.648 525 HG21 VAL 76 1HG2 VAL 76 -1.329 -19.456 -8.530 526 HG22 VAL 76 2HG2 VAL 76 -2.979 -19.126 -9.059 527 HG23 VAL 76 3HG2 VAL 76 -2.635 -19.372 -7.347 528 H GLY 77 H GLY 77 0.471 -20.369 -7.534 529 HA2 GLY 77 2HA GLY 77 2.700 -20.548 -8.394 530 HA3 GLY 77 3HA GLY 77 2.068 -21.493 -9.734 531 H VAL 78 H VAL 78 0.747 -18.455 -8.525 532 HA VAL 78 HA VAL 78 0.616 -17.322 -11.119 533 HB VAL 78 HB VAL 78 0.366 -15.989 -8.419 534 HG11 VAL 78 1HG1 VAL 78 0.601 -14.120 -9.657 535 HG12 VAL 78 2HG1 VAL 78 0.234 -14.949 -11.171 536 HG13 VAL 78 3HG1 VAL 78 -1.074 -14.448 -10.100 537 HG21 VAL 78 1HG2 VAL 78 -1.336 -17.780 -9.804 538 HG22 VAL 78 2HG2 VAL 78 -1.650 -16.912 -8.301 539 HG23 VAL 78 3HG2 VAL 78 -2.087 -16.184 -9.847 540 H LYS 79 H LYS 79 2.010 -16.087 -12.222 541 HA LYS 79 HA LYS 79 4.643 -15.631 -11.077 542 HB2 LYS 79 2HB LYS 79 3.530 -15.941 -13.749 543 HB3 LYS 79 3HB LYS 79 4.638 -14.579 -13.650 544 HG2 LYS 79 2HG LYS 79 6.194 -16.297 -12.454 545 HG3 LYS 79 3HG LYS 79 5.168 -17.485 -13.260 546 HD2 LYS 79 2HD LYS 79 6.049 -15.305 -15.001 547 HD3 LYS 79 3HD LYS 79 7.370 -16.284 -14.359 548 HE2 LYS 79 2HE LYS 79 5.229 -17.990 -15.198 549 HE3 LYS 79 3HE LYS 79 5.644 -16.882 -16.505 550 HZ1 LYS 79 1HZ LYS 79 7.840 -18.201 -15.098 551 HZ2 LYS 79 2HZ LYS 79 7.707 -17.767 -16.727 552 HZ3 LYS 79 3HZ LYS 79 6.912 -19.145 -16.152 553 H LYS 80 H LYS 80 5.689 -13.465 -11.907 554 HA LYS 80 HA LYS 80 4.535 -11.372 -10.470 555 HB2 LYS 80 2HB LYS 80 6.961 -11.653 -11.252 556 HB3 LYS 80 3HB LYS 80 6.428 -10.959 -12.777 557 HG2 LYS 80 2HG LYS 80 6.394 -8.888 -11.952 558 HG3 LYS 80 3HG LYS 80 5.618 -9.398 -10.451 559 HD2 LYS 80 2HD LYS 80 8.440 -10.202 -10.807 560 HD3 LYS 80 3HD LYS 80 8.142 -8.477 -10.581 561 HE2 LYS 80 2HE LYS 80 7.730 -8.755 -8.410 562 HE3 LYS 80 3HE LYS 80 6.590 -10.062 -8.730 563 HZ1 LYS 80 1HZ LYS 80 8.103 -11.356 -7.762 564 HZ2 LYS 80 2HZ LYS 80 9.326 -10.193 -7.874 565 HZ3 LYS 80 3HZ LYS 80 9.004 -11.209 -9.187 566 H ASP 81 H ASP 81 4.502 -12.029 -13.955 567 HA ASP 81 HA ASP 81 2.936 -9.708 -14.569 568 HB2 ASP 81 2HB ASP 81 3.969 -12.057 -16.094 569 HB3 ASP 81 3HB ASP 81 2.642 -11.129 -16.788 570 H SER 82 H SER 82 2.269 -13.188 -14.342 571 HA SER 82 HA SER 82 0.332 -14.364 -14.134 572 HB2 SER 82 2HB SER 82 -1.309 -12.174 -13.096 573 HB3 SER 82 3HB SER 82 -0.870 -13.706 -12.343 574 HG SER 82 HG SER 82 1.321 -12.505 -12.215 575 H VAL 83 H VAL 83 -0.198 -14.685 -16.267 576 HA VAL 83 HA VAL 83 -2.089 -12.758 -17.452 577 HB VAL 83 HB VAL 83 -0.103 -12.910 -18.806 578 HG11 VAL 83 1HG1 VAL 83 1.115 -14.760 -18.923 579 HG12 VAL 83 2HG1 VAL 83 -0.109 -15.616 -17.983 580 HG13 VAL 83 3HG1 VAL 83 -0.202 -15.597 -19.744 581 HG21 VAL 83 1HG2 VAL 83 -2.357 -14.485 -20.048 582 HG22 VAL 83 2HG2 VAL 83 -2.232 -12.727 -19.986 583 HG23 VAL 83 3HG2 VAL 83 -1.069 -13.661 -20.927 584 H PHE 84 H PHE 84 -4.122 -13.422 -17.526 585 HA PHE 84 HA PHE 84 -4.659 -16.301 -17.836 586 HB2 PHE 84 2HB PHE 84 -6.824 -15.006 -16.470 587 HB3 PHE 84 3HB PHE 84 -5.822 -16.348 -15.927 588 HD1 PHE 84 HD1 PHE 84 -6.016 -12.653 -16.064 589 HD2 PHE 84 HD2 PHE 84 -4.240 -16.058 -14.229 590 HE1 PHE 84 HE1 PHE 84 -5.012 -11.201 -14.350 591 HE2 PHE 84 HE2 PHE 84 -3.233 -14.612 -12.512 592 HZ PHE 84 HZ PHE 84 -3.619 -12.180 -12.570 593 H VAL 85 H VAL 85 -6.142 -16.859 -19.335 594 HA VAL 85 HA VAL 85 -7.296 -14.688 -20.928 595 HB VAL 85 HB VAL 85 -7.204 -17.623 -21.623 596 HG11 VAL 85 1HG1 VAL 85 -8.823 -16.579 -22.959 597 HG12 VAL 85 2HG1 VAL 85 -7.849 -15.120 -23.151 598 HG13 VAL 85 3HG1 VAL 85 -7.374 -16.612 -23.963 599 HG21 VAL 85 1HG2 VAL 85 -5.132 -15.534 -21.772 600 HG22 VAL 85 2HG2 VAL 85 -4.972 -17.288 -21.689 601 HG23 VAL 85 3HG2 VAL 85 -5.345 -16.508 -23.226 602 H LEU 86 H LEU 86 -9.480 -14.580 -21.428 603 HA LEU 86 HA LEU 86 -11.229 -16.192 -19.693 604 HB2 LEU 86 2HB LEU 86 -11.006 -13.550 -19.606 605 HB3 LEU 86 3HB LEU 86 -12.176 -13.658 -20.920 606 HG LEU 86 HG LEU 86 -13.265 -13.275 -18.769 607 HD11 LEU 86 1HD1 LEU 86 -15.017 -14.613 -19.250 608 HD12 LEU 86 2HD1 LEU 86 -14.029 -16.072 -19.311 609 HD13 LEU 86 3HD1 LEU 86 -14.061 -14.972 -20.689 610 HD21 LEU 86 1HD2 LEU 86 -12.401 -16.006 -17.890 611 HD22 LEU 86 2HD2 LEU 86 -13.092 -14.694 -16.934 612 HD23 LEU 86 3HD2 LEU 86 -11.431 -14.581 -17.518 613 H VAL 87 H VAL 87 -12.831 -17.373 -20.571 614 HA VAL 87 HA VAL 87 -13.602 -16.911 -23.355 615 HB VAL 87 HB VAL 87 -12.713 -19.608 -22.321 616 HG11 VAL 87 1HG1 VAL 87 -12.986 -19.980 -24.948 617 HG12 VAL 87 2HG1 VAL 87 -14.304 -20.253 -23.808 618 HG13 VAL 87 3HG1 VAL 87 -14.223 -18.745 -24.719 619 HG21 VAL 87 1HG2 VAL 87 -11.451 -17.598 -24.153 620 HG22 VAL 87 2HG2 VAL 87 -10.744 -18.445 -22.777 621 HG23 VAL 87 3HG2 VAL 87 -11.064 -19.314 -24.278 622 H ARG 88 H ARG 88 -15.705 -17.385 -23.799 623 HA ARG 88 HA ARG 88 -17.396 -18.011 -21.519 624 HB2 ARG 88 2HB ARG 88 -19.256 -17.412 -23.041 625 HB3 ARG 88 3HB ARG 88 -18.054 -16.136 -22.899 626 HG2 ARG 88 2HG ARG 88 -18.052 -16.071 -25.117 627 HG3 ARG 88 3HG ARG 88 -17.181 -17.605 -25.064 628 HD2 ARG 88 2HD ARG 88 -19.521 -18.675 -24.920 629 HD3 ARG 88 3HD ARG 88 -20.108 -17.110 -25.481 630 HE ARG 88 HE ARG 88 -18.777 -19.108 -27.035 631 HH11 ARG 88 1HH1 ARG 88 -19.335 -15.686 -26.715 632 HH12 ARG 88 2HH1 ARG 88 -19.066 -15.353 -28.393 633 HH21 ARG 88 1HH2 ARG 88 -18.420 -18.681 -29.247 634 HH22 ARG 88 2HH2 ARG 88 -18.546 -17.057 -29.833 635 H LYS 89 H LYS 89 -18.109 -19.987 -21.107 636 HA LYS 89 HA LYS 89 -17.683 -22.134 -22.976 637 HB2 LYS 89 2HB LYS 89 -17.583 -22.101 -20.329 638 HB3 LYS 89 3HB LYS 89 -19.291 -22.494 -20.486 639 HG2 LYS 89 2HG LYS 89 -18.353 -24.580 -20.359 640 HG3 LYS 89 3HG LYS 89 -18.429 -24.343 -22.107 641 HD2 LYS 89 2HD LYS 89 -16.195 -24.338 -22.315 642 HD3 LYS 89 3HD LYS 89 -15.974 -23.326 -20.885 643 HE2 LYS 89 2HE LYS 89 -15.001 -25.272 -20.169 644 HE3 LYS 89 3HE LYS 89 -16.658 -25.527 -19.623 645 HZ1 LYS 89 1HZ LYS 89 -16.325 -27.478 -20.690 646 HZ2 LYS 89 2HZ LYS 89 -15.185 -26.846 -21.768 647 HZ3 LYS 89 3HZ LYS 89 -16.835 -26.576 -22.027 648 H ALA 90 H ALA 90 -20.337 -20.129 -21.983 649 HA ALA 90 HA ALA 90 -22.020 -21.399 -24.004 650 HB1 ALA 90 1HB ALA 90 -22.387 -21.865 -21.250 651 HB2 ALA 90 2HB ALA 90 -23.684 -20.786 -21.764 652 HB3 ALA 90 3HB ALA 90 -23.445 -22.330 -22.582 Start of MODEL 4 1 H1 MET 10 H MET 10 9.196 -0.990 0.085 2 HA MET 10 HA MET 10 7.415 -0.245 1.310 3 HB2 MET 10 2HB MET 10 7.834 1.959 -0.584 4 HB3 MET 10 3HB MET 10 6.176 1.811 -0.015 5 HG2 MET 10 2HG MET 10 6.682 2.590 2.006 6 HG3 MET 10 3HG MET 10 8.131 1.595 2.125 7 HE1 MET 10 1HE MET 10 10.895 3.628 1.868 8 HE2 MET 10 2HE MET 10 10.190 2.024 1.667 9 HE3 MET 10 3HE MET 10 10.642 2.973 0.250 10 H SER 11 H SER 11 5.460 -1.167 1.409 11 HA SER 11 HA SER 11 3.574 -2.279 0.793 12 HB2 SER 11 2HB SER 11 3.538 0.106 -0.612 13 HB3 SER 11 3HB SER 11 3.265 -1.104 -1.866 14 HG SER 11 HG SER 11 1.544 -1.915 -0.591 15 H GLU 12 H GLU 12 2.588 -3.623 -1.091 16 HA GLU 12 HA GLU 12 4.731 -4.860 -2.677 17 HB2 GLU 12 2HB GLU 12 2.905 -6.161 -0.705 18 HB3 GLU 12 3HB GLU 12 3.361 -7.060 -2.146 19 HG2 GLU 12 2HG GLU 12 5.395 -5.789 -0.345 20 HG3 GLU 12 3HG GLU 12 4.763 -7.411 -0.062 21 H THR 13 H THR 13 3.993 -3.959 -4.577 22 HA THR 13 HA THR 13 1.216 -4.405 -5.361 23 HB THR 13 HB THR 13 3.094 -3.135 -7.269 24 HG1 THR 13 HG1 THR 13 3.518 -1.424 -6.050 25 HG21 THR 13 1HG2 THR 13 1.060 -1.468 -7.148 26 HG22 THR 13 2HG2 THR 13 0.261 -2.840 -6.381 27 HG23 THR 13 3HG2 THR 13 0.919 -3.000 -8.008 28 H ILE 14 H ILE 14 0.611 -5.549 -7.209 29 HA ILE 14 HA ILE 14 2.686 -7.110 -8.566 30 HB ILE 14 HB ILE 14 0.150 -8.383 -7.543 31 HG12 ILE 14 2HG1 ILE 14 2.955 -8.545 -6.418 32 HG13 ILE 14 3HG1 ILE 14 1.578 -7.762 -5.651 33 HG21 ILE 14 1HG2 ILE 14 1.123 -10.449 -8.237 34 HG22 ILE 14 2HG2 ILE 14 1.232 -9.324 -9.591 35 HG23 ILE 14 3HG2 ILE 14 2.658 -9.665 -8.610 36 HD11 ILE 14 1HD1 ILE 14 0.448 -9.971 -5.578 37 HD12 ILE 14 2HD1 ILE 14 1.938 -10.698 -6.181 38 HD13 ILE 14 3HD1 ILE 14 1.925 -9.881 -4.618 39 HA PRO 15 HA PRO 15 0.017 -5.412 -11.798 40 HB2 PRO 15 2HB PRO 15 1.849 -5.739 -13.775 41 HB3 PRO 15 3HB PRO 15 1.878 -4.373 -12.653 42 HG2 PRO 15 2HG PRO 15 3.478 -6.903 -12.599 43 HG3 PRO 15 3HG PRO 15 4.007 -5.238 -12.295 44 HD2 PRO 15 2HD PRO 15 3.488 -6.991 -10.297 45 HD3 PRO 15 3HD PRO 15 3.206 -5.246 -10.133 46 H VAL 16 H VAL 16 -1.415 -6.511 -12.993 47 HA VAL 16 HA VAL 16 -0.699 -9.207 -13.933 48 HB VAL 16 HB VAL 16 -3.004 -9.953 -13.471 49 HG11 VAL 16 1HG1 VAL 16 -2.353 -10.700 -11.470 50 HG12 VAL 16 2HG1 VAL 16 -0.912 -9.705 -11.695 51 HG13 VAL 16 3HG1 VAL 16 -2.290 -9.073 -10.792 52 HG21 VAL 16 1HG2 VAL 16 -3.358 -7.459 -11.834 53 HG22 VAL 16 2HG2 VAL 16 -3.916 -7.573 -13.503 54 HG23 VAL 16 3HG2 VAL 16 -4.568 -8.663 -12.279 55 H SER 17 H SER 17 -1.764 -9.916 -15.832 56 HA SER 17 HA SER 17 -3.089 -7.780 -17.369 57 HB2 SER 17 2HB SER 17 -1.343 -9.833 -18.700 58 HB3 SER 17 3HB SER 17 -1.835 -8.245 -19.289 59 HG SER 17 HG SER 17 -0.275 -7.326 -18.169 60 H VAL 18 H VAL 18 -4.888 -8.336 -18.476 61 HA VAL 18 HA VAL 18 -5.610 -11.190 -18.578 62 HB VAL 18 HB VAL 18 -7.602 -8.986 -18.063 63 HG11 VAL 18 1HG1 VAL 18 -9.148 -10.565 -18.292 64 HG12 VAL 18 2HG1 VAL 18 -7.881 -11.659 -18.850 65 HG13 VAL 18 3HG1 VAL 18 -8.318 -11.613 -17.142 66 HG21 VAL 18 1HG2 VAL 18 -5.746 -10.258 -16.232 67 HG22 VAL 18 2HG2 VAL 18 -6.805 -8.870 -15.982 68 HG23 VAL 18 3HG2 VAL 18 -7.426 -10.505 -15.756 69 H GLN 19 H GLN 19 -6.549 -11.901 -20.434 70 HA GLN 19 HA GLN 19 -6.821 -9.924 -22.596 71 HB2 GLN 19 2HB GLN 19 -6.291 -12.896 -22.757 72 HB3 GLN 19 3HB GLN 19 -6.465 -11.822 -24.139 73 HG2 GLN 19 2HG GLN 19 -4.505 -10.540 -23.317 74 HG3 GLN 19 3HG GLN 19 -4.297 -11.754 -22.055 75 HE21 GLN 19 1HE2 GLN 19 -2.320 -12.461 -22.744 76 HE22 GLN 19 2HE2 GLN 19 -2.084 -13.328 -24.220 77 H CYS 20 H CYS 20 -8.693 -9.737 -23.709 78 HA CYS 20 HA CYS 20 -10.828 -11.682 -23.185 79 HB2 CYS 20 2HB CYS 20 -10.855 -9.362 -21.857 80 HB3 CYS 20 3HB CYS 20 -11.597 -8.812 -23.354 81 HG CYS 20 HG CYS 20 -12.951 -10.446 -20.853 82 H CYS 21 H CYS 21 -12.392 -11.871 -24.825 83 HA CYS 21 HA CYS 21 -11.447 -11.606 -27.443 84 HB2 CYS 21 2HB CYS 21 -14.324 -11.896 -26.554 85 HB3 CYS 21 3HB CYS 21 -13.684 -12.278 -28.148 86 HG CYS 21 HG CYS 21 -13.595 -14.766 -27.482 87 H GLU 22 H GLU 22 -13.057 -9.361 -25.395 88 HA GLU 22 HA GLU 22 -13.841 -7.642 -27.617 89 HB2 GLU 22 2HB GLU 22 -14.537 -7.866 -24.770 90 HB3 GLU 22 3HB GLU 22 -14.376 -6.212 -25.344 91 HG2 GLU 22 2HG GLU 22 -15.901 -7.042 -27.290 92 HG3 GLU 22 3HG GLU 22 -16.326 -8.315 -26.148 93 H GLY 23 H GLY 23 -11.307 -8.011 -25.308 94 HA2 GLY 23 2HA GLY 23 -9.498 -6.333 -26.497 95 HA3 GLY 23 3HA GLY 23 -10.380 -5.298 -25.383 96 H ARG 24 H ARG 24 -7.947 -5.247 -24.713 97 HA ARG 24 HA ARG 24 -7.463 -7.383 -22.746 98 HB2 ARG 24 2HB ARG 24 -5.098 -6.726 -22.832 99 HB3 ARG 24 3HB ARG 24 -5.699 -7.184 -24.420 100 HG2 ARG 24 2HG ARG 24 -5.831 -4.899 -25.105 101 HG3 ARG 24 3HG ARG 24 -5.463 -4.339 -23.472 102 HD2 ARG 24 2HD ARG 24 -3.251 -4.700 -23.710 103 HD3 ARG 24 3HD ARG 24 -3.490 -6.180 -24.637 104 HE ARG 24 HE ARG 24 -4.226 -3.975 -26.215 105 HH11 ARG 24 1HH1 ARG 24 -1.399 -5.472 -24.840 106 HH12 ARG 24 2HH1 ARG 24 -0.335 -4.907 -26.084 107 HH21 ARG 24 1HH2 ARG 24 -2.834 -3.225 -27.859 108 HH22 ARG 24 2HH2 ARG 24 -1.152 -3.628 -27.800 109 H PHE 25 H PHE 25 -6.967 -6.870 -20.628 110 HA PHE 25 HA PHE 25 -7.014 -4.051 -19.848 111 HB2 PHE 25 2HB PHE 25 -9.342 -5.134 -19.712 112 HB3 PHE 25 3HB PHE 25 -8.693 -6.064 -18.366 113 HD1 PHE 25 HD1 PHE 25 -9.022 -5.240 -16.254 114 HD2 PHE 25 HD2 PHE 25 -8.867 -2.521 -19.525 115 HE1 PHE 25 HE1 PHE 25 -9.523 -3.378 -14.726 116 HE2 PHE 25 HE2 PHE 25 -9.366 -0.654 -18.002 117 HZ PHE 25 HZ PHE 25 -9.694 -1.081 -15.599 118 H GLU 26 H GLU 26 -5.779 -3.569 -18.085 119 HA GLU 26 HA GLU 26 -4.465 -5.829 -16.725 120 HB2 GLU 26 2HB GLU 26 -3.217 -3.191 -17.517 121 HB3 GLU 26 3HB GLU 26 -2.422 -4.453 -16.588 122 HG2 GLU 26 2HG GLU 26 -2.551 -5.968 -18.466 123 HG3 GLU 26 3HG GLU 26 -3.444 -4.769 -19.401 124 H LEU 27 H LEU 27 -3.868 -5.503 -14.540 125 HA LEU 27 HA LEU 27 -4.732 -3.084 -13.195 126 HB2 LEU 27 2HB LEU 27 -6.576 -5.058 -13.444 127 HB3 LEU 27 3HB LEU 27 -5.806 -5.509 -11.924 128 HG LEU 27 HG LEU 27 -6.261 -2.954 -11.369 129 HD11 LEU 27 1HD1 LEU 27 -8.787 -3.375 -12.801 130 HD12 LEU 27 2HD1 LEU 27 -7.397 -3.029 -13.829 131 HD13 LEU 27 3HD1 LEU 27 -7.851 -1.901 -12.551 132 HD21 LEU 27 1HD2 LEU 27 -7.061 -4.926 -10.123 133 HD22 LEU 27 2HD2 LEU 27 -8.407 -5.071 -11.253 134 HD23 LEU 27 3HD2 LEU 27 -8.272 -3.647 -10.220 135 H SER 28 H SER 28 -4.295 -3.272 -10.778 136 HA SER 28 HA SER 28 -2.015 -5.056 -10.256 137 HB2 SER 28 2HB SER 28 -1.791 -2.468 -8.921 138 HB3 SER 28 3HB SER 28 -0.589 -3.359 -9.855 139 HG SER 28 HG SER 28 -1.737 -1.193 -10.602 140 H VAL 29 H VAL 29 -2.111 -6.100 -8.368 141 HA VAL 29 HA VAL 29 -3.689 -5.008 -6.169 142 HB VAL 29 HB VAL 29 -4.136 -7.837 -7.118 143 HG11 VAL 29 1HG1 VAL 29 -4.539 -7.605 -4.777 144 HG12 VAL 29 2HG1 VAL 29 -5.458 -6.119 -5.025 145 HG13 VAL 29 3HG1 VAL 29 -6.105 -7.662 -5.585 146 HG21 VAL 29 1HG2 VAL 29 -6.298 -7.100 -7.954 147 HG22 VAL 29 2HG2 VAL 29 -5.923 -5.436 -7.507 148 HG23 VAL 29 3HG2 VAL 29 -4.995 -6.239 -8.773 149 H ASP 30 H ASP 30 -3.178 -5.895 -4.125 150 HA ASP 30 HA ASP 30 -0.480 -6.957 -3.989 151 HB2 ASP 30 2HB ASP 30 -2.383 -6.067 -1.812 152 HB3 ASP 30 3HB ASP 30 -0.716 -6.572 -1.548 153 H SER 31 H SER 31 0.107 -8.933 -3.201 154 HA SER 31 HA SER 31 -1.941 -10.973 -3.211 155 HB2 SER 31 2HB SER 31 0.058 -11.588 -4.333 156 HB3 SER 31 3HB SER 31 1.068 -11.046 -2.993 157 HG SER 31 HG SER 31 0.201 -13.464 -3.407 158 H ASN 32 H ASN 32 -2.819 -11.947 -1.493 159 HA ASN 32 HA ASN 32 -1.585 -12.322 0.998 160 HB2 ASN 32 2HB ASN 32 -2.815 -10.729 2.389 161 HB3 ASN 32 3HB ASN 32 -1.830 -9.880 1.201 162 HD21 ASN 32 1HD2 ASN 32 -2.982 -9.292 -0.839 163 HD22 ASN 32 2HD2 ASN 32 -4.608 -8.727 -0.692 164 H HIS 33 H HIS 33 -4.681 -11.739 -0.620 165 HA HIS 33 HA HIS 33 -5.958 -13.771 1.049 166 HB2 HIS 33 2HB HIS 33 -6.858 -11.416 -0.371 167 HB3 HIS 33 3HB HIS 33 -7.818 -12.822 -0.823 168 HD1 HIS 33 HD1 HIS 33 -8.101 -14.281 1.801 169 HD2 HIS 33 HD2 HIS 33 -8.377 -10.148 1.473 170 HE1 HIS 33 HE1 HIS 33 -9.422 -13.534 3.807 171 H THR 34 H THR 34 -7.599 -15.177 -0.229 172 HA THR 34 HA THR 34 -6.071 -16.780 -2.037 173 HB THR 34 HB THR 34 -7.906 -18.299 -2.054 174 HG1 THR 34 HG1 THR 34 -9.954 -17.705 -1.659 175 HG21 THR 34 1HG2 THR 34 -6.630 -17.980 0.115 176 HG22 THR 34 2HG2 THR 34 -8.211 -18.750 0.253 177 HG23 THR 34 3HG2 THR 34 -8.015 -17.051 0.685 178 H LEU 35 H LEU 35 -7.360 -17.638 -4.062 179 HA LEU 35 HA LEU 35 -7.321 -15.678 -6.005 180 HB2 LEU 35 2HB LEU 35 -7.646 -18.384 -5.976 181 HB3 LEU 35 3HB LEU 35 -9.233 -17.841 -6.518 182 HG LEU 35 HG LEU 35 -7.557 -16.404 -8.133 183 HD11 LEU 35 1HD1 LEU 35 -5.960 -18.083 -9.032 184 HD12 LEU 35 2HD1 LEU 35 -6.312 -19.102 -7.637 185 HD13 LEU 35 3HD1 LEU 35 -5.567 -17.520 -7.408 186 HD21 LEU 35 1HD2 LEU 35 -8.743 -19.132 -8.634 187 HD22 LEU 35 2HD2 LEU 35 -8.216 -17.996 -9.876 188 HD23 LEU 35 3HD2 LEU 35 -9.570 -17.586 -8.821 189 H ARG 36 H ARG 36 -9.896 -16.588 -3.851 190 HA ARG 36 HA ARG 36 -12.128 -15.606 -5.149 191 HB2 ARG 36 2HB ARG 36 -11.486 -16.459 -2.541 192 HB3 ARG 36 3HB ARG 36 -12.231 -14.876 -2.367 193 HG2 ARG 36 2HG ARG 36 -14.108 -15.729 -3.814 194 HG3 ARG 36 3HG ARG 36 -13.394 -17.334 -3.643 195 HD2 ARG 36 2HD ARG 36 -14.508 -17.564 -1.735 196 HD3 ARG 36 3HD ARG 36 -13.520 -16.272 -1.054 197 HE ARG 36 HE ARG 36 -15.556 -15.038 -2.456 198 HH11 ARG 36 1HH1 ARG 36 -15.265 -17.213 0.247 199 HH12 ARG 36 2HH1 ARG 36 -16.706 -16.647 1.024 200 HH21 ARG 36 1HH2 ARG 36 -17.456 -14.285 -1.443 201 HH22 ARG 36 2HH2 ARG 36 -17.952 -14.983 0.062 202 H ASP 37 H ASP 37 -9.585 -13.865 -3.481 203 HA ASP 37 HA ASP 37 -10.943 -11.339 -3.520 204 HB2 ASP 37 2HB ASP 37 -9.347 -11.556 -1.802 205 HB3 ASP 37 3HB ASP 37 -8.126 -12.194 -2.899 206 H VAL 38 H VAL 38 -8.305 -12.795 -5.402 207 HA VAL 38 HA VAL 38 -7.800 -10.622 -7.087 208 HB VAL 38 HB VAL 38 -7.532 -13.560 -7.742 209 HG11 VAL 38 1HG1 VAL 38 -5.861 -12.824 -9.375 210 HG12 VAL 38 2HG1 VAL 38 -7.455 -12.155 -9.731 211 HG13 VAL 38 3HG1 VAL 38 -6.220 -11.143 -8.981 212 HG21 VAL 38 1HG2 VAL 38 -5.786 -11.627 -6.273 213 HG22 VAL 38 2HG2 VAL 38 -6.206 -13.290 -5.862 214 HG23 VAL 38 3HG2 VAL 38 -5.069 -12.965 -7.170 215 H LEU 39 H LEU 39 -10.048 -13.340 -7.451 216 HA LEU 39 HA LEU 39 -10.973 -12.564 -10.026 217 HB2 LEU 39 2HB LEU 39 -11.276 -14.760 -8.357 218 HB3 LEU 39 3HB LEU 39 -12.895 -14.071 -8.464 219 HG LEU 39 HG LEU 39 -12.625 -14.172 -10.982 220 HD11 LEU 39 1HD1 LEU 39 -10.146 -15.588 -10.108 221 HD12 LEU 39 2HD1 LEU 39 -10.376 -14.429 -11.416 222 HD13 LEU 39 3HD1 LEU 39 -10.966 -16.081 -11.589 223 HD21 LEU 39 1HD2 LEU 39 -13.682 -16.169 -10.992 224 HD22 LEU 39 2HD2 LEU 39 -13.670 -15.929 -9.244 225 HD23 LEU 39 3HD2 LEU 39 -12.450 -16.952 -10.003 226 H ARG 40 H ARG 40 -12.016 -11.895 -6.737 227 HA ARG 40 HA ARG 40 -14.529 -10.814 -7.233 228 HB2 ARG 40 2HB ARG 40 -13.695 -11.271 -4.979 229 HB3 ARG 40 3HB ARG 40 -12.507 -9.986 -5.145 230 HG2 ARG 40 2HG ARG 40 -14.219 -9.053 -3.865 231 HG3 ARG 40 3HG ARG 40 -14.489 -8.424 -5.492 232 HD2 ARG 40 2HD ARG 40 -16.611 -9.086 -5.042 233 HD3 ARG 40 3HD ARG 40 -15.990 -10.621 -5.647 234 HE ARG 40 HE ARG 40 -16.294 -11.494 -3.565 235 HH11 ARG 40 1HH1 ARG 40 -16.136 -8.027 -3.299 236 HH12 ARG 40 2HH1 ARG 40 -16.506 -8.009 -1.606 237 HH21 ARG 40 1HH2 ARG 40 -16.783 -11.484 -1.337 238 HH22 ARG 40 2HH2 ARG 40 -16.873 -9.977 -0.491 239 H GLN 41 H GLN 41 -11.356 -9.224 -7.239 240 HA GLN 41 HA GLN 41 -12.412 -6.652 -7.891 241 HB2 GLN 41 2HB GLN 41 -10.002 -7.576 -6.951 242 HB3 GLN 41 3HB GLN 41 -9.611 -7.140 -8.609 243 HG2 GLN 41 2HG GLN 41 -9.852 -4.934 -8.233 244 HG3 GLN 41 3HG GLN 41 -11.181 -5.161 -7.098 245 HE21 GLN 41 1HE2 GLN 41 -7.924 -6.524 -7.050 246 HE22 GLN 41 2HE2 GLN 41 -7.458 -5.818 -5.543 247 H PHE 42 H PHE 42 -10.777 -9.200 -9.744 248 HA PHE 42 HA PHE 42 -10.635 -7.905 -12.200 249 HB2 PHE 42 2HB PHE 42 -9.451 -9.938 -11.992 250 HB3 PHE 42 3HB PHE 42 -10.883 -10.814 -11.462 251 HD1 PHE 42 HD1 PHE 42 -9.569 -8.944 -14.403 252 HD2 PHE 42 HD2 PHE 42 -12.029 -12.112 -12.980 253 HE1 PHE 42 HE1 PHE 42 -9.981 -9.660 -16.720 254 HE2 PHE 42 HE2 PHE 42 -12.445 -12.834 -15.295 255 HZ PHE 42 HZ PHE 42 -11.420 -11.608 -17.169 256 H LYS 43 H LYS 43 -13.177 -10.111 -11.029 257 HA LYS 43 HA LYS 43 -14.871 -9.772 -13.263 258 HB2 LYS 43 2HB LYS 43 -16.491 -10.989 -12.045 259 HB3 LYS 43 3HB LYS 43 -14.937 -11.638 -11.538 260 HG2 LYS 43 2HG LYS 43 -15.875 -11.415 -9.498 261 HG3 LYS 43 3HG LYS 43 -15.237 -9.776 -9.654 262 HD2 LYS 43 2HD LYS 43 -17.292 -8.858 -9.869 263 HD3 LYS 43 3HD LYS 43 -17.919 -10.222 -10.796 264 HE2 LYS 43 2HE LYS 43 -18.350 -11.478 -8.858 265 HE3 LYS 43 3HE LYS 43 -17.340 -10.436 -7.857 266 HZ1 LYS 43 1HZ LYS 43 -18.948 -8.824 -7.752 267 HZ2 LYS 43 2HZ LYS 43 -19.907 -10.217 -7.777 268 HZ3 LYS 43 3HZ LYS 43 -19.704 -9.305 -9.188 269 H ARG 44 H ARG 44 -14.447 -7.973 -10.305 270 HA ARG 44 HA ARG 44 -16.871 -6.520 -10.376 271 HB2 ARG 44 2HB ARG 44 -14.300 -6.339 -8.934 272 HB3 ARG 44 3HB ARG 44 -15.181 -4.826 -9.097 273 HG2 ARG 44 2HG ARG 44 -16.898 -7.012 -8.270 274 HG3 ARG 44 3HG ARG 44 -15.557 -6.744 -7.154 275 HD2 ARG 44 2HD ARG 44 -17.232 -5.337 -6.352 276 HD3 ARG 44 3HD ARG 44 -16.202 -4.262 -7.297 277 HE ARG 44 HE ARG 44 -18.175 -5.169 -9.010 278 HH11 ARG 44 1HH1 ARG 44 -17.985 -3.334 -6.058 279 HH12 ARG 44 2HH1 ARG 44 -19.407 -2.403 -6.392 280 HH21 ARG 44 1HH2 ARG 44 -20.049 -3.950 -9.461 281 HH22 ARG 44 2HH2 ARG 44 -20.581 -2.755 -8.328 282 H GLU 45 H GLU 45 -13.886 -6.217 -12.098 283 HA GLU 45 HA GLU 45 -14.618 -3.552 -13.073 284 HB2 GLU 45 2HB GLU 45 -12.114 -4.968 -12.655 285 HB3 GLU 45 3HB GLU 45 -12.212 -4.281 -14.270 286 HG2 GLU 45 2HG GLU 45 -12.842 -2.641 -11.847 287 HG3 GLU 45 3HG GLU 45 -11.183 -2.868 -12.399 288 H VAL 46 H VAL 46 -14.014 -6.846 -14.167 289 HA VAL 46 HA VAL 46 -14.115 -6.451 -16.922 290 HB VAL 46 HB VAL 46 -13.668 -8.615 -15.489 291 HG11 VAL 46 1HG1 VAL 46 -15.431 -10.104 -15.229 292 HG12 VAL 46 2HG1 VAL 46 -16.156 -8.556 -14.790 293 HG13 VAL 46 3HG1 VAL 46 -16.454 -9.251 -16.384 294 HG21 VAL 46 1HG2 VAL 46 -14.797 -8.421 -18.259 295 HG22 VAL 46 2HG2 VAL 46 -13.125 -8.668 -17.757 296 HG23 VAL 46 3HG2 VAL 46 -14.300 -9.972 -17.584 297 H ALA 47 H ALA 47 -16.637 -6.373 -14.558 298 HA ALA 47 HA ALA 47 -18.825 -6.836 -16.324 299 HB1 ALA 47 1HB ALA 47 -19.516 -7.206 -14.195 300 HB2 ALA 47 2HB ALA 47 -18.496 -5.934 -13.523 301 HB3 ALA 47 3HB ALA 47 -20.006 -5.518 -14.333 302 H ALA 48 H ALA 48 -16.747 -4.200 -15.856 303 HA ALA 48 HA ALA 48 -18.486 -2.034 -16.344 304 HB1 ALA 48 1HB ALA 48 -16.393 -0.837 -17.030 305 HB2 ALA 48 2HB ALA 48 -16.332 -1.589 -15.435 306 HB3 ALA 48 3HB ALA 48 -15.528 -2.358 -16.803 307 H LEU 49 H LEU 49 -16.687 -4.176 -18.493 308 HA LEU 49 HA LEU 49 -17.981 -2.868 -20.793 309 HB2 LEU 49 2HB LEU 49 -16.114 -4.186 -22.049 310 HB3 LEU 49 3HB LEU 49 -15.753 -2.651 -21.262 311 HG LEU 49 HG LEU 49 -15.311 -5.067 -19.627 312 HD11 LEU 49 1HD1 LEU 49 -13.844 -4.535 -22.175 313 HD12 LEU 49 2HD1 LEU 49 -14.392 -6.067 -21.495 314 HD13 LEU 49 3HD1 LEU 49 -13.003 -5.237 -20.793 315 HD21 LEU 49 1HD2 LEU 49 -14.747 -2.916 -18.741 316 HD22 LEU 49 2HD2 LEU 49 -13.797 -2.519 -20.172 317 HD23 LEU 49 3HD2 LEU 49 -13.249 -3.785 -19.072 318 H ASP 50 H ASP 50 -17.588 -5.802 -19.026 319 HA ASP 50 HA ASP 50 -18.921 -7.358 -21.123 320 HB2 ASP 50 2HB ASP 50 -16.809 -8.149 -19.835 321 HB3 ASP 50 3HB ASP 50 -17.932 -8.493 -18.522 322 HA PRO 51 HA PRO 51 -22.633 -6.467 -18.712 323 HB2 PRO 51 2HB PRO 51 -24.348 -7.276 -20.655 324 HB3 PRO 51 3HB PRO 51 -23.579 -5.684 -20.654 325 HG2 PRO 51 2HG PRO 51 -22.824 -8.152 -22.172 326 HG3 PRO 51 3HG PRO 51 -22.883 -6.469 -22.729 327 HD2 PRO 51 2HD PRO 51 -20.570 -7.693 -22.034 328 HD3 PRO 51 3HD PRO 51 -20.840 -5.955 -21.793 329 H ILE 52 H ILE 52 -21.416 -9.390 -20.052 330 HA ILE 52 HA ILE 52 -23.522 -11.076 -19.021 331 HB ILE 52 HB ILE 52 -20.809 -11.872 -20.082 332 HG12 ILE 52 2HG1 ILE 52 -22.154 -10.611 -21.735 333 HG13 ILE 52 3HG1 ILE 52 -21.933 -12.294 -22.201 334 HG21 ILE 52 1HG2 ILE 52 -21.911 -14.061 -20.455 335 HG22 ILE 52 2HG2 ILE 52 -21.785 -13.621 -18.752 336 HG23 ILE 52 3HG2 ILE 52 -23.326 -13.456 -19.594 337 HD11 ILE 52 1HD1 ILE 52 -24.335 -10.850 -21.945 338 HD12 ILE 52 2HD1 ILE 52 -24.118 -12.549 -22.364 339 HD13 ILE 52 3HD1 ILE 52 -24.325 -12.077 -20.678 340 H ASN 53 H ASN 53 -23.379 -12.492 -17.283 341 HA ASN 53 HA ASN 53 -21.872 -11.579 -15.059 342 HB2 ASN 53 2HB ASN 53 -24.052 -13.347 -15.510 343 HB3 ASN 53 3HB ASN 53 -22.826 -14.239 -14.614 344 HD21 ASN 53 1HD2 ASN 53 -25.402 -13.441 -13.682 345 HD22 ASN 53 2HD2 ASN 53 -25.155 -12.390 -12.334 346 H LEU 54 H LEU 54 -20.212 -12.632 -13.911 347 HA LEU 54 HA LEU 54 -18.225 -13.837 -15.539 348 HB2 LEU 54 2HB LEU 54 -16.844 -13.773 -13.674 349 HB3 LEU 54 3HB LEU 54 -17.934 -12.408 -13.437 350 HG LEU 54 HG LEU 54 -19.215 -14.409 -12.078 351 HD11 LEU 54 1HD1 LEU 54 -16.616 -14.784 -10.871 352 HD12 LEU 54 2HD1 LEU 54 -16.669 -15.420 -12.514 353 HD13 LEU 54 3HD1 LEU 54 -17.837 -15.976 -11.316 354 HD21 LEU 54 1HD2 LEU 54 -18.753 -13.152 -10.181 355 HD22 LEU 54 2HD2 LEU 54 -18.575 -11.980 -11.487 356 HD23 LEU 54 3HD2 LEU 54 -17.145 -12.702 -10.748 357 H GLU 55 H GLU 55 -20.778 -15.085 -13.566 358 HA GLU 55 HA GLU 55 -19.684 -17.720 -13.276 359 HB2 GLU 55 2HB GLU 55 -21.540 -16.450 -11.882 360 HB3 GLU 55 3HB GLU 55 -22.614 -17.194 -13.058 361 HG2 GLU 55 2HG GLU 55 -21.720 -19.399 -12.458 362 HG3 GLU 55 3HG GLU 55 -20.691 -18.636 -11.247 363 H GLU 56 H GLU 56 -21.059 -16.055 -15.838 364 HA GLU 56 HA GLU 56 -22.358 -18.329 -17.072 365 HB2 GLU 56 2HB GLU 56 -21.715 -15.665 -18.337 366 HB3 GLU 56 3HB GLU 56 -22.912 -16.839 -18.866 367 HG2 GLU 56 2HG GLU 56 -23.507 -16.151 -16.185 368 HG3 GLU 56 3HG GLU 56 -23.226 -14.659 -17.080 369 H TYR 57 H TYR 57 -19.289 -16.679 -17.219 370 HA TYR 57 HA TYR 57 -18.387 -18.640 -19.225 371 HB2 TYR 57 2HB TYR 57 -16.841 -16.955 -20.103 372 HB3 TYR 57 3HB TYR 57 -18.506 -16.395 -20.213 373 HD1 TYR 57 HD1 TYR 57 -15.381 -16.070 -18.243 374 HD2 TYR 57 HD2 TYR 57 -19.181 -14.392 -19.165 375 HE1 TYR 57 HE1 TYR 57 -14.764 -14.021 -17.031 376 HE2 TYR 57 HE2 TYR 57 -18.573 -12.338 -17.957 377 HH TYR 57 HH TYR 57 -16.940 -11.735 -16.059 378 H VAL 58 H VAL 58 -15.932 -18.870 -19.185 379 HA VAL 58 HA VAL 58 -14.973 -18.813 -16.397 380 HB VAL 58 HB VAL 58 -14.275 -20.938 -18.423 381 HG11 VAL 58 1HG1 VAL 58 -12.568 -20.735 -16.786 382 HG12 VAL 58 2HG1 VAL 58 -13.745 -20.618 -15.476 383 HG13 VAL 58 3HG1 VAL 58 -13.533 -22.141 -16.340 384 HG21 VAL 58 1HG2 VAL 58 -16.303 -21.021 -16.192 385 HG22 VAL 58 2HG2 VAL 58 -16.634 -21.117 -17.921 386 HG23 VAL 58 3HG2 VAL 58 -15.760 -22.420 -17.117 387 H VAL 59 H VAL 59 -12.738 -18.498 -16.077 388 HA VAL 59 HA VAL 59 -11.309 -17.416 -18.419 389 HB VAL 59 HB VAL 59 -12.013 -15.658 -16.801 390 HG11 VAL 59 1HG1 VAL 59 -11.217 -15.554 -14.610 391 HG12 VAL 59 2HG1 VAL 59 -11.670 -17.247 -14.811 392 HG13 VAL 59 3HG1 VAL 59 -9.975 -16.770 -14.904 393 HG21 VAL 59 1HG2 VAL 59 -9.827 -14.562 -16.669 394 HG22 VAL 59 2HG2 VAL 59 -9.036 -16.095 -17.036 395 HG23 VAL 59 3HG2 VAL 59 -10.072 -15.328 -18.239 396 H ASN 60 H ASN 60 -9.274 -18.112 -18.776 397 HA ASN 60 HA ASN 60 -8.239 -20.170 -16.969 398 HB2 ASN 60 2HB ASN 60 -6.824 -20.858 -18.834 399 HB3 ASN 60 3HB ASN 60 -8.505 -20.760 -19.352 400 HD21 ASN 60 1HD2 ASN 60 -5.371 -19.225 -19.488 401 HD22 ASN 60 2HD2 ASN 60 -5.688 -18.262 -20.887 402 H HIS 61 H HIS 61 -6.248 -20.055 -16.014 403 HA HIS 61 HA HIS 61 -4.878 -17.455 -16.209 404 HB2 HIS 61 2HB HIS 61 -3.934 -18.173 -13.918 405 HB3 HIS 61 3HB HIS 61 -5.613 -17.649 -13.992 406 HD1 HIS 61 HD1 HIS 61 -3.481 -20.517 -13.114 407 HD2 HIS 61 HD2 HIS 61 -7.516 -19.795 -13.793 408 HE1 HIS 61 HE1 HIS 61 -4.688 -22.518 -12.185 409 H GLU 62 H GLU 62 -3.085 -17.549 -17.381 410 HA GLU 62 HA GLU 62 -1.157 -18.288 -18.341 411 HB2 GLU 62 2HB GLU 62 -0.851 -18.530 -15.647 412 HB3 GLU 62 3HB GLU 62 -0.520 -20.176 -16.168 413 HG2 GLU 62 2HG GLU 62 0.998 -18.864 -17.929 414 HG3 GLU 62 3HG GLU 62 1.023 -17.698 -16.606 415 H GLY 63 H GLY 63 -3.585 -19.752 -18.919 416 HA2 GLY 63 2HA GLY 63 -4.021 -21.534 -20.341 417 HA3 GLY 63 3HA GLY 63 -2.368 -22.083 -20.112 418 H LYS 64 H LYS 64 -3.980 -21.458 -17.198 419 HA LYS 64 HA LYS 64 -4.525 -24.334 -16.857 420 HB2 LYS 64 2HB LYS 64 -2.627 -23.552 -15.504 421 HB3 LYS 64 3HB LYS 64 -3.651 -22.324 -14.773 422 HG2 LYS 64 2HG LYS 64 -3.507 -24.070 -13.206 423 HG3 LYS 64 3HG LYS 64 -5.107 -24.211 -13.939 424 HD2 LYS 64 2HD LYS 64 -4.521 -26.099 -15.158 425 HD3 LYS 64 3HD LYS 64 -2.794 -25.753 -15.051 426 HE2 LYS 64 2HE LYS 64 -4.265 -26.257 -12.522 427 HE3 LYS 64 3HE LYS 64 -3.960 -27.634 -13.581 428 HZ1 LYS 64 1HZ LYS 64 -1.818 -27.651 -13.032 429 HZ2 LYS 64 2HZ LYS 64 -2.223 -26.617 -11.757 430 HZ3 LYS 64 3HZ LYS 64 -1.650 -25.978 -13.214 431 H LEU 65 H LEU 65 -6.426 -24.963 -15.908 432 HA LEU 65 HA LEU 65 -8.419 -22.833 -15.518 433 HB2 LEU 65 2HB LEU 65 -8.525 -25.561 -16.649 434 HB3 LEU 65 3HB LEU 65 -9.917 -25.054 -15.695 435 HG LEU 65 HG LEU 65 -9.410 -22.944 -17.467 436 HD11 LEU 65 1HD1 LEU 65 -8.201 -23.970 -19.081 437 HD12 LEU 65 2HD1 LEU 65 -9.799 -24.516 -19.590 438 HD13 LEU 65 3HD1 LEU 65 -8.766 -25.581 -18.638 439 HD21 LEU 65 1HD2 LEU 65 -11.617 -23.222 -17.115 440 HD22 LEU 65 2HD2 LEU 65 -11.483 -24.975 -16.968 441 HD23 LEU 65 3HD2 LEU 65 -11.517 -24.223 -18.564 442 H LEU 66 H LEU 66 -8.858 -22.389 -13.470 443 HA LEU 66 HA LEU 66 -8.260 -24.286 -11.371 444 HB2 LEU 66 2HB LEU 66 -8.701 -21.434 -11.595 445 HB3 LEU 66 3HB LEU 66 -9.596 -22.123 -10.242 446 HG LEU 66 HG LEU 66 -6.703 -22.782 -10.525 447 HD11 LEU 66 1HD1 LEU 66 -7.522 -20.142 -10.577 448 HD12 LEU 66 2HD1 LEU 66 -5.931 -20.739 -10.105 449 HD13 LEU 66 3HD1 LEU 66 -7.162 -20.443 -8.877 450 HD21 LEU 66 1HD2 LEU 66 -6.831 -23.284 -8.306 451 HD22 LEU 66 2HD2 LEU 66 -8.507 -23.589 -8.763 452 HD23 LEU 66 3HD2 LEU 66 -8.067 -22.068 -7.986 453 H LEU 67 H LEU 67 -9.801 -24.931 -9.751 454 HA LEU 67 HA LEU 67 -12.522 -25.189 -10.845 455 HB2 LEU 67 2HB LEU 67 -10.710 -27.036 -9.470 456 HB3 LEU 67 3HB LEU 67 -12.363 -27.054 -8.859 457 HG LEU 67 HG LEU 67 -11.881 -27.314 -11.796 458 HD11 LEU 67 1HD1 LEU 67 -11.783 -29.774 -11.492 459 HD12 LEU 67 2HD1 LEU 67 -11.574 -29.514 -9.760 460 HD13 LEU 67 3HD1 LEU 67 -10.355 -28.930 -10.893 461 HD21 LEU 67 1HD2 LEU 67 -13.964 -28.384 -11.801 462 HD22 LEU 67 2HD2 LEU 67 -14.156 -27.050 -10.663 463 HD23 LEU 67 3HD2 LEU 67 -13.911 -28.691 -10.065 464 H ASP 68 H ASP 68 -10.624 -24.197 -8.107 465 HA ASP 68 HA ASP 68 -13.092 -23.287 -6.782 466 HB2 ASP 68 2HB ASP 68 -11.207 -25.124 -5.776 467 HB3 ASP 68 3HB ASP 68 -10.934 -23.619 -4.902 468 H ASP 69 H ASP 69 -12.068 -21.748 -4.806 469 HA ASP 69 HA ASP 69 -10.263 -19.832 -6.102 470 HB2 ASP 69 2HB ASP 69 -12.838 -19.050 -4.720 471 HB3 ASP 69 3HB ASP 69 -11.677 -17.956 -5.467 472 H SER 70 H SER 70 -10.046 -21.825 -3.897 473 HA SER 70 HA SER 70 -9.692 -20.141 -1.544 474 HB2 SER 70 2HB SER 70 -9.536 -22.114 -0.287 475 HB3 SER 70 3HB SER 70 -10.691 -22.535 -1.551 476 HG SER 70 HG SER 70 -8.879 -24.051 -1.105 477 H VAL 71 H VAL 71 -7.839 -21.703 -4.029 478 HA VAL 71 HA VAL 71 -5.318 -21.686 -2.739 479 HB VAL 71 HB VAL 71 -4.369 -21.894 -5.021 480 HG11 VAL 71 1HG1 VAL 71 -4.741 -24.048 -4.632 481 HG12 VAL 71 2HG1 VAL 71 -6.202 -23.674 -3.716 482 HG13 VAL 71 3HG1 VAL 71 -6.288 -23.892 -5.464 483 HG21 VAL 71 1HG2 VAL 71 -7.243 -21.578 -5.880 484 HG22 VAL 71 2HG2 VAL 71 -5.911 -20.480 -6.237 485 HG23 VAL 71 3HG2 VAL 71 -5.925 -22.102 -6.928 486 H THR 72 H THR 72 -3.666 -20.208 -2.753 487 HA THR 72 HA THR 72 -4.430 -17.455 -3.188 488 HB THR 72 HB THR 72 -2.500 -16.834 -2.019 489 HG1 THR 72 HG1 THR 72 -0.867 -18.670 -1.654 490 HG21 THR 72 1HG2 THR 72 -2.736 -19.488 -0.711 491 HG22 THR 72 2HG2 THR 72 -4.205 -18.520 -0.849 492 HG23 THR 72 3HG2 THR 72 -2.796 -17.871 -0.010 493 H LEU 73 H LEU 73 -2.655 -15.996 -4.183 494 HA LEU 73 HA LEU 73 -2.497 -16.517 -6.913 495 HB2 LEU 73 2HB LEU 73 -1.018 -14.633 -5.110 496 HB3 LEU 73 3HB LEU 73 -0.662 -14.713 -6.835 497 HG LEU 73 HG LEU 73 -3.271 -14.324 -7.031 498 HD11 LEU 73 1HD1 LEU 73 -4.220 -14.035 -5.031 499 HD12 LEU 73 2HD1 LEU 73 -3.462 -12.443 -5.048 500 HD13 LEU 73 3HD1 LEU 73 -2.669 -13.788 -4.228 501 HD21 LEU 73 1HD2 LEU 73 -2.784 -11.862 -7.074 502 HD22 LEU 73 2HD2 LEU 73 -1.694 -12.857 -8.041 503 HD23 LEU 73 3HD2 LEU 73 -1.169 -12.240 -6.473 504 H GLN 74 H GLN 74 -0.003 -16.874 -4.407 505 HA GLN 74 HA GLN 74 1.958 -17.883 -6.223 506 HB2 GLN 74 2HB GLN 74 2.268 -16.739 -3.899 507 HB3 GLN 74 3HB GLN 74 2.046 -18.363 -3.264 508 HG2 GLN 74 2HG GLN 74 3.932 -18.465 -5.393 509 HG3 GLN 74 3HG GLN 74 4.396 -17.182 -4.277 510 HE21 GLN 74 1HE2 GLN 74 4.240 -17.850 -1.915 511 HE22 GLN 74 2HE2 GLN 74 4.873 -19.409 -1.522 512 H THR 75 H THR 75 -0.545 -19.282 -4.252 513 HA THR 75 HA THR 75 0.344 -21.917 -4.067 514 HB THR 75 HB THR 75 -2.491 -20.897 -4.315 515 HG1 THR 75 HG1 THR 75 -0.676 -21.226 -2.196 516 HG21 THR 75 1HG2 THR 75 -1.370 -23.613 -3.742 517 HG22 THR 75 2HG2 THR 75 -2.735 -23.159 -4.763 518 HG23 THR 75 3HG2 THR 75 -2.892 -23.114 -3.007 519 H VAL 76 H VAL 76 -1.682 -20.401 -6.570 520 HA VAL 76 HA VAL 76 -1.890 -22.736 -8.170 521 HB VAL 76 HB VAL 76 -2.611 -21.138 -9.973 522 HG11 VAL 76 1HG1 VAL 76 -4.534 -21.762 -9.022 523 HG12 VAL 76 2HG1 VAL 76 -3.870 -21.632 -7.392 524 HG13 VAL 76 3HG1 VAL 76 -4.496 -20.198 -8.208 525 HG21 VAL 76 1HG2 VAL 76 -2.817 -18.831 -9.558 526 HG22 VAL 76 2HG2 VAL 76 -2.481 -19.026 -7.837 527 HG23 VAL 76 3HG2 VAL 76 -1.191 -19.252 -9.019 528 H GLY 77 H GLY 77 0.504 -20.247 -7.862 529 HA2 GLY 77 2HA GLY 77 2.723 -20.471 -8.633 530 HA3 GLY 77 3HA GLY 77 2.170 -21.655 -9.809 531 H VAL 78 H VAL 78 0.661 -18.525 -9.324 532 HA VAL 78 HA VAL 78 0.798 -17.887 -12.082 533 HB VAL 78 HB VAL 78 -0.966 -17.051 -10.526 534 HG11 VAL 78 1HG1 VAL 78 1.041 -16.336 -8.886 535 HG12 VAL 78 2HG1 VAL 78 0.725 -14.790 -9.675 536 HG13 VAL 78 3HG1 VAL 78 -0.572 -15.625 -8.820 537 HG21 VAL 78 1HG2 VAL 78 -0.451 -16.038 -12.765 538 HG22 VAL 78 2HG2 VAL 78 -1.249 -14.956 -11.624 539 HG23 VAL 78 3HG2 VAL 78 0.483 -14.806 -11.916 540 H LYS 79 H LYS 79 2.190 -16.656 -13.225 541 HA LYS 79 HA LYS 79 4.767 -16.117 -12.115 542 HB2 LYS 79 2HB LYS 79 3.480 -15.879 -14.781 543 HB3 LYS 79 3HB LYS 79 4.883 -14.861 -14.484 544 HG2 LYS 79 2HG LYS 79 5.837 -17.209 -13.604 545 HG3 LYS 79 3HG LYS 79 4.693 -17.782 -14.821 546 HD2 LYS 79 2HD LYS 79 6.203 -17.328 -16.388 547 HD3 LYS 79 3HD LYS 79 6.064 -15.616 -15.979 548 HE2 LYS 79 2HE LYS 79 7.913 -15.675 -14.574 549 HE3 LYS 79 3HE LYS 79 7.823 -17.423 -14.367 550 HZ1 LYS 79 1HZ LYS 79 8.500 -16.137 -16.950 551 HZ2 LYS 79 2HZ LYS 79 8.669 -17.767 -16.531 552 HZ3 LYS 79 3HZ LYS 79 9.669 -16.603 -15.819 553 H LYS 80 H LYS 80 5.834 -13.959 -12.395 554 HA LYS 80 HA LYS 80 4.642 -12.022 -10.826 555 HB2 LYS 80 2HB LYS 80 6.366 -10.470 -11.739 556 HB3 LYS 80 3HB LYS 80 7.019 -12.008 -11.191 557 HG2 LYS 80 2HG LYS 80 6.999 -12.784 -13.555 558 HG3 LYS 80 3HG LYS 80 6.520 -11.153 -14.033 559 HD2 LYS 80 2HD LYS 80 8.593 -10.354 -12.788 560 HD3 LYS 80 3HD LYS 80 9.091 -12.047 -12.752 561 HE2 LYS 80 2HE LYS 80 8.437 -11.742 -15.370 562 HE3 LYS 80 3HE LYS 80 9.039 -10.132 -14.981 563 HZ1 LYS 80 1HZ LYS 80 10.462 -12.699 -14.973 564 HZ2 LYS 80 2HZ LYS 80 10.972 -11.484 -13.912 565 HZ3 LYS 80 3HZ LYS 80 10.955 -11.198 -15.579 566 H ASP 81 H ASP 81 4.729 -12.252 -14.361 567 HA ASP 81 HA ASP 81 3.342 -9.816 -14.822 568 HB2 ASP 81 2HB ASP 81 4.777 -11.379 -16.424 569 HB3 ASP 81 3HB ASP 81 3.189 -12.042 -16.800 570 H SER 82 H SER 82 2.338 -13.147 -14.356 571 HA SER 82 HA SER 82 0.292 -14.135 -14.178 572 HB2 SER 82 2HB SER 82 -0.893 -11.535 -13.288 573 HB3 SER 82 3HB SER 82 -1.128 -13.155 -12.633 574 HG SER 82 HG SER 82 0.571 -11.274 -11.822 575 H VAL 83 H VAL 83 -0.081 -14.461 -16.386 576 HA VAL 83 HA VAL 83 -1.860 -12.498 -17.676 577 HB VAL 83 HB VAL 83 0.158 -12.796 -18.958 578 HG11 VAL 83 1HG1 VAL 83 1.278 -14.711 -18.962 579 HG12 VAL 83 2HG1 VAL 83 -0.032 -15.479 -18.063 580 HG13 VAL 83 3HG1 VAL 83 -0.043 -15.494 -19.827 581 HG21 VAL 83 1HG2 VAL 83 -0.779 -13.557 -21.085 582 HG22 VAL 83 2HG2 VAL 83 -2.135 -14.292 -20.230 583 HG23 VAL 83 3HG2 VAL 83 -1.924 -12.541 -20.210 584 H PHE 84 H PHE 84 -3.921 -13.060 -17.800 585 HA PHE 84 HA PHE 84 -4.596 -15.917 -18.031 586 HB2 PHE 84 2HB PHE 84 -6.653 -14.279 -16.749 587 HB3 PHE 84 3HB PHE 84 -6.003 -15.844 -16.274 588 HD1 PHE 84 HD1 PHE 84 -5.713 -12.226 -15.900 589 HD2 PHE 84 HD2 PHE 84 -4.119 -16.005 -14.763 590 HE1 PHE 84 HE1 PHE 84 -4.488 -11.151 -14.057 591 HE2 PHE 84 HE2 PHE 84 -2.892 -14.936 -12.917 592 HZ PHE 84 HZ PHE 84 -3.076 -12.506 -12.562 593 H VAL 85 H VAL 85 -6.060 -16.454 -19.558 594 HA VAL 85 HA VAL 85 -7.129 -14.260 -21.198 595 HB VAL 85 HB VAL 85 -6.881 -17.167 -21.972 596 HG11 VAL 85 1HG1 VAL 85 -8.485 -16.176 -23.355 597 HG12 VAL 85 2HG1 VAL 85 -7.595 -14.655 -23.451 598 HG13 VAL 85 3HG1 VAL 85 -6.993 -16.085 -24.290 599 HG21 VAL 85 1HG2 VAL 85 -4.912 -16.471 -23.280 600 HG22 VAL 85 2HG2 VAL 85 -5.011 -14.869 -22.548 601 HG23 VAL 85 3HG2 VAL 85 -4.666 -16.277 -21.544 602 H LEU 86 H LEU 86 -9.287 -14.202 -21.796 603 HA LEU 86 HA LEU 86 -11.083 -15.654 -20.018 604 HB2 LEU 86 2HB LEU 86 -11.093 -13.095 -20.632 605 HB3 LEU 86 3HB LEU 86 -12.031 -13.655 -22.014 606 HG LEU 86 HG LEU 86 -13.517 -12.883 -20.282 607 HD11 LEU 86 1HD1 LEU 86 -15.001 -14.587 -20.451 608 HD12 LEU 86 2HD1 LEU 86 -13.825 -15.810 -19.970 609 HD13 LEU 86 3HD1 LEU 86 -13.810 -15.172 -21.614 610 HD21 LEU 86 1HD2 LEU 86 -13.066 -13.125 -18.124 611 HD22 LEU 86 2HD2 LEU 86 -11.608 -14.022 -18.548 612 HD23 LEU 86 3HD2 LEU 86 -13.125 -14.881 -18.279 613 H VAL 87 H VAL 87 -12.309 -17.312 -20.639 614 HA VAL 87 HA VAL 87 -12.642 -17.800 -23.527 615 HB VAL 87 HB VAL 87 -12.597 -20.214 -23.071 616 HG11 VAL 87 1HG1 VAL 87 -10.362 -18.406 -22.848 617 HG12 VAL 87 2HG1 VAL 87 -10.054 -19.906 -21.970 618 HG13 VAL 87 3HG1 VAL 87 -10.475 -19.955 -23.683 619 HG21 VAL 87 1HG2 VAL 87 -11.794 -19.426 -20.272 620 HG22 VAL 87 2HG2 VAL 87 -13.350 -20.118 -20.732 621 HG23 VAL 87 3HG2 VAL 87 -11.875 -21.068 -20.913 622 H ARG 88 H ARG 88 -14.505 -19.308 -23.988 623 HA ARG 88 HA ARG 88 -16.677 -19.098 -22.039 624 HB2 ARG 88 2HB ARG 88 -16.692 -17.151 -23.717 625 HB3 ARG 88 3HB ARG 88 -17.143 -18.354 -24.918 626 HG2 ARG 88 2HG ARG 88 -19.043 -18.954 -23.288 627 HG3 ARG 88 3HG ARG 88 -18.687 -17.394 -22.544 628 HD2 ARG 88 2HD ARG 88 -19.407 -17.858 -25.436 629 HD3 ARG 88 3HD ARG 88 -20.477 -17.207 -24.196 630 HE ARG 88 HE ARG 88 -18.113 -15.659 -24.393 631 HH11 ARG 88 1HH1 ARG 88 -21.124 -16.304 -26.018 632 HH12 ARG 88 2HH1 ARG 88 -21.207 -14.741 -26.762 633 HH21 ARG 88 1HH2 ARG 88 -18.212 -13.598 -25.367 634 HH22 ARG 88 2HH2 ARG 88 -19.550 -13.204 -26.392 635 H LYS 89 H LYS 89 -17.135 -21.181 -21.717 636 HA LYS 89 HA LYS 89 -17.220 -22.995 -24.024 637 HB2 LYS 89 2HB LYS 89 -17.046 -24.812 -22.441 638 HB3 LYS 89 3HB LYS 89 -15.781 -23.637 -22.107 639 HG2 LYS 89 2HG LYS 89 -17.282 -22.693 -20.323 640 HG3 LYS 89 3HG LYS 89 -18.323 -24.097 -20.571 641 HD2 LYS 89 2HD LYS 89 -15.528 -24.828 -20.250 642 HD3 LYS 89 3HD LYS 89 -16.156 -23.943 -18.859 643 HE2 LYS 89 2HE LYS 89 -16.684 -26.117 -18.304 644 HE3 LYS 89 3HE LYS 89 -18.172 -25.578 -19.081 645 HZ1 LYS 89 1HZ LYS 89 -16.628 -26.555 -21.121 646 HZ2 LYS 89 2HZ LYS 89 -17.950 -27.329 -20.404 647 HZ3 LYS 89 3HZ LYS 89 -16.382 -27.654 -19.858 648 H ALA 90 H ALA 90 -19.135 -21.719 -21.375 649 HA ALA 90 HA ALA 90 -21.542 -22.748 -22.696 650 HB1 ALA 90 1HB ALA 90 -22.219 -24.006 -20.985 651 HB2 ALA 90 2HB ALA 90 -20.568 -23.880 -20.379 652 HB3 ALA 90 3HB ALA 90 -21.805 -22.763 -19.803 Start of MODEL 5 1 H1 MET 10 H MET 10 3.781 -1.218 -3.040 2 HA MET 10 HA MET 10 5.192 -2.022 -4.749 3 HB2 MET 10 2HB MET 10 6.138 0.556 -4.606 4 HB3 MET 10 3HB MET 10 7.527 -0.383 -4.075 5 HG2 MET 10 2HG MET 10 7.828 -1.354 -6.103 6 HG3 MET 10 3HG MET 10 6.115 -1.299 -6.509 7 HE1 MET 10 1HE MET 10 8.581 -0.766 -8.337 8 HE2 MET 10 2HE MET 10 7.050 -0.434 -9.147 9 HE3 MET 10 3HE MET 10 8.343 0.766 -9.178 10 H SER 11 H SER 11 4.858 -2.646 -1.907 11 HA SER 11 HA SER 11 7.504 -3.799 -1.317 12 HB2 SER 11 2HB SER 11 5.466 -3.821 0.818 13 HB3 SER 11 3HB SER 11 7.178 -3.408 0.896 14 HG SER 11 HG SER 11 6.141 -1.515 1.210 15 H GLU 12 H GLU 12 4.022 -4.480 -1.267 16 HA GLU 12 HA GLU 12 4.642 -7.306 -1.745 17 HB2 GLU 12 2HB GLU 12 2.696 -6.266 0.320 18 HB3 GLU 12 3HB GLU 12 2.791 -7.945 -0.194 19 HG2 GLU 12 2HG GLU 12 5.024 -6.397 1.100 20 HG3 GLU 12 3HG GLU 12 3.957 -7.533 1.923 21 H THR 13 H THR 13 3.688 -5.028 -3.394 22 HA THR 13 HA THR 13 1.052 -6.082 -4.182 23 HB THR 13 HB THR 13 2.027 -3.449 -5.196 24 HG1 THR 13 HG1 THR 13 1.746 -2.466 -3.313 25 HG21 THR 13 1HG2 THR 13 -0.035 -3.704 -6.076 26 HG22 THR 13 2HG2 THR 13 -0.583 -3.175 -4.485 27 HG23 THR 13 3HG2 THR 13 -0.512 -4.895 -4.867 28 H ILE 14 H ILE 14 0.956 -7.189 -6.016 29 HA ILE 14 HA ILE 14 3.071 -6.763 -8.025 30 HB ILE 14 HB ILE 14 2.751 -9.105 -8.718 31 HG12 ILE 14 2HG1 ILE 14 1.536 -10.302 -6.521 32 HG13 ILE 14 3HG1 ILE 14 0.523 -8.901 -6.853 33 HG21 ILE 14 1HG2 ILE 14 3.301 -9.202 -5.787 34 HG22 ILE 14 2HG2 ILE 14 4.150 -9.988 -7.116 35 HG23 ILE 14 3HG2 ILE 14 4.353 -8.258 -6.841 36 HD11 ILE 14 1HD1 ILE 14 -0.497 -10.350 -8.236 37 HD12 ILE 14 2HD1 ILE 14 0.790 -9.859 -9.338 38 HD13 ILE 14 3HD1 ILE 14 0.939 -11.357 -8.420 39 HA PRO 15 HA PRO 15 -0.109 -5.631 -10.855 40 HB2 PRO 15 2HB PRO 15 1.212 -6.107 -13.178 41 HB3 PRO 15 3HB PRO 15 1.568 -4.724 -12.137 42 HG2 PRO 15 2HG PRO 15 2.997 -7.345 -12.357 43 HG3 PRO 15 3HG PRO 15 3.671 -5.710 -12.233 44 HD2 PRO 15 2HD PRO 15 3.519 -7.387 -10.113 45 HD3 PRO 15 3HD PRO 15 3.376 -5.625 -9.948 46 H VAL 16 H VAL 16 -1.364 -6.505 -12.685 47 HA VAL 16 HA VAL 16 -1.186 -9.364 -13.158 48 HB VAL 16 HB VAL 16 -3.675 -9.608 -12.624 49 HG11 VAL 16 1HG1 VAL 16 -1.755 -9.193 -10.335 50 HG12 VAL 16 2HG1 VAL 16 -3.231 -10.160 -10.297 51 HG13 VAL 16 3HG1 VAL 16 -1.879 -10.652 -11.318 52 HG21 VAL 16 1HG2 VAL 16 -4.561 -8.117 -10.906 53 HG22 VAL 16 2HG2 VAL 16 -3.090 -7.146 -10.979 54 HG23 VAL 16 3HG2 VAL 16 -4.165 -7.224 -12.375 55 H SER 17 H SER 17 -2.402 -10.069 -14.959 56 HA SER 17 HA SER 17 -3.716 -7.973 -16.538 57 HB2 SER 17 2HB SER 17 -1.174 -8.710 -17.131 58 HB3 SER 17 3HB SER 17 -2.074 -9.890 -18.084 59 HG SER 17 HG SER 17 -1.546 -7.701 -19.024 60 H VAL 18 H VAL 18 -5.424 -8.650 -17.770 61 HA VAL 18 HA VAL 18 -6.022 -11.530 -17.798 62 HB VAL 18 HB VAL 18 -7.938 -9.319 -17.052 63 HG11 VAL 18 1HG1 VAL 18 -9.111 -10.812 -18.510 64 HG12 VAL 18 2HG1 VAL 18 -8.470 -12.222 -17.664 65 HG13 VAL 18 3HG1 VAL 18 -9.617 -11.152 -16.855 66 HG21 VAL 18 1HG2 VAL 18 -8.060 -10.307 -14.931 67 HG22 VAL 18 2HG2 VAL 18 -7.303 -11.801 -15.484 68 HG23 VAL 18 3HG2 VAL 18 -6.341 -10.331 -15.327 69 H GLN 19 H GLN 19 -6.922 -12.300 -19.649 70 HA GLN 19 HA GLN 19 -7.300 -10.353 -21.823 71 HB2 GLN 19 2HB GLN 19 -6.272 -13.158 -21.745 72 HB3 GLN 19 3HB GLN 19 -7.062 -12.586 -23.209 73 HG2 GLN 19 2HG GLN 19 -5.434 -10.596 -23.041 74 HG3 GLN 19 3HG GLN 19 -4.530 -11.633 -21.939 75 HE21 GLN 19 1HE2 GLN 19 -5.664 -11.221 -25.210 76 HE22 GLN 19 2HE2 GLN 19 -4.590 -12.362 -25.937 77 H CYS 20 H CYS 20 -9.176 -10.280 -22.946 78 HA CYS 20 HA CYS 20 -11.212 -12.320 -22.392 79 HB2 CYS 20 2HB CYS 20 -11.805 -9.357 -22.429 80 HB3 CYS 20 3HB CYS 20 -12.920 -10.661 -22.039 81 HG CYS 20 HG CYS 20 -11.306 -11.385 -19.729 82 H CYS 21 H CYS 21 -12.760 -12.620 -24.029 83 HA CYS 21 HA CYS 21 -11.835 -12.399 -26.647 84 HB2 CYS 21 2HB CYS 21 -14.418 -13.115 -25.371 85 HB3 CYS 21 3HB CYS 21 -14.472 -12.689 -27.077 86 HG CYS 21 HG CYS 21 -14.018 -15.120 -27.761 87 H GLU 22 H GLU 22 -13.532 -10.129 -24.679 88 HA GLU 22 HA GLU 22 -14.360 -8.492 -26.930 89 HB2 GLU 22 2HB GLU 22 -15.149 -8.763 -24.209 90 HB3 GLU 22 3HB GLU 22 -14.614 -7.106 -24.450 91 HG2 GLU 22 2HG GLU 22 -16.462 -8.294 -26.447 92 HG3 GLU 22 3HG GLU 22 -17.105 -7.831 -24.873 93 H GLY 23 H GLY 23 -11.712 -8.754 -24.739 94 HA2 GLY 23 2HA GLY 23 -9.940 -7.176 -26.072 95 HA3 GLY 23 3HA GLY 23 -10.798 -6.040 -25.043 96 H ARG 24 H ARG 24 -8.395 -5.891 -24.376 97 HA ARG 24 HA ARG 24 -7.815 -7.891 -22.298 98 HB2 ARG 24 2HB ARG 24 -5.504 -7.242 -22.450 99 HB3 ARG 24 3HB ARG 24 -6.098 -7.559 -24.075 100 HG2 ARG 24 2HG ARG 24 -6.264 -5.211 -24.535 101 HG3 ARG 24 3HG ARG 24 -5.864 -4.815 -22.862 102 HD2 ARG 24 2HD ARG 24 -3.684 -6.091 -23.282 103 HD3 ARG 24 3HD ARG 24 -4.096 -5.977 -24.992 104 HE ARG 24 HE ARG 24 -4.216 -3.438 -23.714 105 HH11 ARG 24 1HH1 ARG 24 -2.018 -5.791 -25.037 106 HH12 ARG 24 2HH1 ARG 24 -0.789 -4.628 -25.406 107 HH21 ARG 24 1HH2 ARG 24 -2.605 -1.896 -24.195 108 HH22 ARG 24 2HH2 ARG 24 -1.123 -2.413 -24.926 109 H PHE 25 H PHE 25 -7.242 -7.234 -20.214 110 HA PHE 25 HA PHE 25 -7.651 -4.398 -19.570 111 HB2 PHE 25 2HB PHE 25 -9.285 -6.678 -18.714 112 HB3 PHE 25 3HB PHE 25 -8.722 -5.674 -17.382 113 HD1 PHE 25 HD1 PHE 25 -8.984 -3.061 -17.847 114 HD2 PHE 25 HD2 PHE 25 -11.291 -6.137 -19.673 115 HE1 PHE 25 HE1 PHE 25 -10.773 -1.438 -18.314 116 HE2 PHE 25 HE2 PHE 25 -13.083 -4.518 -20.143 117 HZ PHE 25 HZ PHE 25 -12.825 -2.165 -19.464 118 H GLU 26 H GLU 26 -6.161 -3.591 -18.232 119 HA GLU 26 HA GLU 26 -4.380 -5.493 -16.859 120 HB2 GLU 26 2HB GLU 26 -2.598 -3.929 -17.092 121 HB3 GLU 26 3HB GLU 26 -3.373 -4.057 -18.665 122 HG2 GLU 26 2HG GLU 26 -4.744 -1.988 -17.731 123 HG3 GLU 26 3HG GLU 26 -3.280 -1.784 -16.771 124 H LEU 27 H LEU 27 -3.897 -5.209 -14.717 125 HA LEU 27 HA LEU 27 -4.695 -2.854 -13.277 126 HB2 LEU 27 2HB LEU 27 -6.560 -4.957 -13.555 127 HB3 LEU 27 3HB LEU 27 -5.964 -5.011 -11.897 128 HG LEU 27 HG LEU 27 -6.515 -2.423 -11.998 129 HD11 LEU 27 1HD1 LEU 27 -7.648 -3.445 -14.432 130 HD12 LEU 27 2HD1 LEU 27 -7.563 -1.784 -13.845 131 HD13 LEU 27 3HD1 LEU 27 -8.914 -2.816 -13.377 132 HD21 LEU 27 1HD2 LEU 27 -8.618 -4.558 -11.654 133 HD22 LEU 27 2HD2 LEU 27 -8.675 -2.922 -10.999 134 HD23 LEU 27 3HD2 LEU 27 -7.452 -4.058 -10.429 135 H SER 28 H SER 28 -4.332 -3.199 -10.853 136 HA SER 28 HA SER 28 -2.186 -5.156 -10.389 137 HB2 SER 28 2HB SER 28 -1.572 -2.902 -8.819 138 HB3 SER 28 3HB SER 28 -0.688 -3.497 -10.224 139 HG SER 28 HG SER 28 -2.331 -2.236 -11.457 140 H VAL 29 H VAL 29 -2.232 -6.171 -8.453 141 HA VAL 29 HA VAL 29 -3.877 -5.125 -6.290 142 HB VAL 29 HB VAL 29 -5.187 -7.123 -6.010 143 HG11 VAL 29 1HG1 VAL 29 -6.566 -7.052 -8.047 144 HG12 VAL 29 2HG1 VAL 29 -6.121 -5.439 -7.485 145 HG13 VAL 29 3HG1 VAL 29 -5.287 -6.155 -8.865 146 HG21 VAL 29 1HG2 VAL 29 -3.298 -8.201 -7.991 147 HG22 VAL 29 2HG2 VAL 29 -4.134 -9.007 -6.664 148 HG23 VAL 29 3HG2 VAL 29 -4.974 -8.714 -8.187 149 H ASP 30 H ASP 30 -3.428 -6.060 -4.255 150 HA ASP 30 HA ASP 30 -0.740 -7.101 -4.044 151 HB2 ASP 30 2HB ASP 30 -2.758 -6.515 -1.867 152 HB3 ASP 30 3HB ASP 30 -1.040 -6.828 -1.634 153 H SER 31 H SER 31 -0.128 -9.109 -3.371 154 HA SER 31 HA SER 31 -2.107 -11.203 -3.621 155 HB2 SER 31 2HB SER 31 0.204 -11.344 -4.619 156 HB3 SER 31 3HB SER 31 0.834 -11.498 -2.978 157 HG SER 31 HG SER 31 -0.014 -13.464 -2.814 158 H ASN 32 H ASN 32 -3.044 -12.295 -2.012 159 HA ASN 32 HA ASN 32 -1.909 -12.851 0.487 160 HB2 ASN 32 2HB ASN 32 -3.176 -11.364 1.953 161 HB3 ASN 32 3HB ASN 32 -2.165 -10.426 0.857 162 HD21 ASN 32 1HD2 ASN 32 -3.253 -9.656 -1.141 163 HD22 ASN 32 2HD2 ASN 32 -4.890 -9.123 -1.004 164 H HIS 33 H HIS 33 -4.949 -12.129 -1.182 165 HA HIS 33 HA HIS 33 -6.277 -14.292 0.270 166 HB2 HIS 33 2HB HIS 33 -7.138 -11.828 -1.011 167 HB3 HIS 33 3HB HIS 33 -8.108 -13.205 -1.528 168 HD1 HIS 33 HD1 HIS 33 -7.928 -10.735 1.055 169 HD2 HIS 33 HD2 HIS 33 -9.119 -14.711 0.862 170 HE1 HIS 33 HE1 HIS 33 -9.361 -11.108 3.088 171 H THR 34 H THR 34 -7.885 -15.573 -1.173 172 HA THR 34 HA THR 34 -6.309 -17.016 -3.073 173 HB THR 34 HB THR 34 -8.114 -18.537 -3.248 174 HG1 THR 34 HG1 THR 34 -10.200 -17.797 -2.169 175 HG21 THR 34 1HG2 THR 34 -8.402 -17.460 -0.450 176 HG22 THR 34 2HG2 THR 34 -6.974 -18.343 -0.991 177 HG23 THR 34 3HG2 THR 34 -8.552 -19.130 -0.995 178 H LEU 35 H LEU 35 -7.530 -17.684 -5.204 179 HA LEU 35 HA LEU 35 -7.440 -15.553 -6.958 180 HB2 LEU 35 2HB LEU 35 -7.335 -17.944 -7.582 181 HB3 LEU 35 3HB LEU 35 -9.068 -18.069 -7.284 182 HG LEU 35 HG LEU 35 -8.805 -15.980 -9.113 183 HD11 LEU 35 1HD1 LEU 35 -7.593 -17.277 -10.962 184 HD12 LEU 35 2HD1 LEU 35 -6.850 -18.190 -9.649 185 HD13 LEU 35 3HD1 LEU 35 -6.612 -16.446 -9.755 186 HD21 LEU 35 1HD2 LEU 35 -9.578 -18.011 -10.665 187 HD22 LEU 35 2HD2 LEU 35 -10.638 -17.264 -9.470 188 HD23 LEU 35 3HD2 LEU 35 -9.799 -18.768 -9.088 189 H ARG 36 H ARG 36 -10.078 -16.674 -4.984 190 HA ARG 36 HA ARG 36 -12.271 -15.580 -6.261 191 HB2 ARG 36 2HB ARG 36 -11.713 -16.680 -3.725 192 HB3 ARG 36 3HB ARG 36 -12.481 -15.126 -3.428 193 HG2 ARG 36 2HG ARG 36 -14.041 -16.232 -5.410 194 HG3 ARG 36 3HG ARG 36 -13.619 -17.613 -4.395 195 HD2 ARG 36 2HD ARG 36 -14.232 -15.811 -2.496 196 HD3 ARG 36 3HD ARG 36 -15.282 -15.248 -3.797 197 HE ARG 36 HE ARG 36 -15.436 -18.080 -3.311 198 HH11 ARG 36 1HH1 ARG 36 -16.654 -14.942 -2.423 199 HH12 ARG 36 2HH1 ARG 36 -18.158 -15.552 -1.817 200 HH21 ARG 36 1HH2 ARG 36 -17.412 -18.896 -2.517 201 HH22 ARG 36 2HH2 ARG 36 -18.588 -17.802 -1.871 202 H ASP 37 H ASP 37 -9.764 -13.997 -4.414 203 HA ASP 37 HA ASP 37 -11.137 -11.491 -4.183 204 HB2 ASP 37 2HB ASP 37 -9.510 -11.900 -2.519 205 HB3 ASP 37 3HB ASP 37 -8.294 -12.362 -3.706 206 H VAL 38 H VAL 38 -8.508 -12.722 -6.233 207 HA VAL 38 HA VAL 38 -8.077 -10.371 -7.701 208 HB VAL 38 HB VAL 38 -7.701 -13.214 -8.653 209 HG11 VAL 38 1HG1 VAL 38 -7.083 -10.584 -9.796 210 HG12 VAL 38 2HG1 VAL 38 -5.739 -11.728 -9.807 211 HG13 VAL 38 3HG1 VAL 38 -7.265 -12.151 -10.584 212 HG21 VAL 38 1HG2 VAL 38 -5.248 -12.511 -7.971 213 HG22 VAL 38 2HG2 VAL 38 -6.113 -11.459 -6.850 214 HG23 VAL 38 3HG2 VAL 38 -6.366 -13.203 -6.796 215 H LEU 39 H LEU 39 -10.247 -13.109 -8.272 216 HA LEU 39 HA LEU 39 -11.194 -12.177 -10.786 217 HB2 LEU 39 2HB LEU 39 -11.815 -14.349 -8.917 218 HB3 LEU 39 3HB LEU 39 -13.196 -13.774 -9.849 219 HG LEU 39 HG LEU 39 -12.041 -15.736 -10.844 220 HD11 LEU 39 1HD1 LEU 39 -11.564 -14.287 -13.093 221 HD12 LEU 39 2HD1 LEU 39 -12.592 -13.185 -12.176 222 HD13 LEU 39 3HD1 LEU 39 -13.159 -14.813 -12.552 223 HD21 LEU 39 1HD2 LEU 39 -9.736 -14.541 -10.143 224 HD22 LEU 39 2HD2 LEU 39 -9.835 -14.046 -11.833 225 HD23 LEU 39 3HD2 LEU 39 -9.857 -15.760 -11.412 226 H ARG 40 H ARG 40 -12.235 -11.751 -7.458 227 HA ARG 40 HA ARG 40 -14.774 -10.683 -7.900 228 HB2 ARG 40 2HB ARG 40 -12.858 -10.784 -5.706 229 HB3 ARG 40 3HB ARG 40 -13.802 -9.301 -5.700 230 HG2 ARG 40 2HG ARG 40 -15.571 -11.467 -6.183 231 HG3 ARG 40 3HG ARG 40 -14.552 -11.876 -4.801 232 HD2 ARG 40 2HD ARG 40 -15.109 -9.609 -3.861 233 HD3 ARG 40 3HD ARG 40 -16.299 -9.449 -5.151 234 HE ARG 40 HE ARG 40 -17.684 -10.826 -3.973 235 HH11 ARG 40 1HH1 ARG 40 -14.429 -11.259 -2.815 236 HH12 ARG 40 2HH1 ARG 40 -14.892 -12.308 -1.516 237 HH21 ARG 40 1HH2 ARG 40 -18.305 -12.206 -2.266 238 HH22 ARG 40 2HH2 ARG 40 -17.097 -12.847 -1.205 239 H GLN 41 H GLN 41 -11.624 -9.057 -7.706 240 HA GLN 41 HA GLN 41 -12.702 -6.451 -8.149 241 HB2 GLN 41 2HB GLN 41 -10.296 -7.424 -7.255 242 HB3 GLN 41 3HB GLN 41 -9.885 -6.848 -8.865 243 HG2 GLN 41 2HG GLN 41 -10.189 -4.678 -8.320 244 HG3 GLN 41 3HG GLN 41 -11.492 -5.029 -7.187 245 HE21 GLN 41 1HE2 GLN 41 -8.218 -6.339 -7.299 246 HE22 GLN 41 2HE2 GLN 41 -7.735 -5.747 -5.750 247 H PHE 42 H PHE 42 -10.942 -8.764 -10.196 248 HA PHE 42 HA PHE 42 -10.837 -7.250 -12.524 249 HB2 PHE 42 2HB PHE 42 -10.726 -10.150 -11.889 250 HB3 PHE 42 3HB PHE 42 -11.042 -9.716 -13.566 251 HD1 PHE 42 HD1 PHE 42 -9.425 -7.496 -14.170 252 HD2 PHE 42 HD2 PHE 42 -8.544 -10.759 -11.582 253 HE1 PHE 42 HE1 PHE 42 -7.019 -7.127 -14.529 254 HE2 PHE 42 HE2 PHE 42 -6.137 -10.394 -11.936 255 HZ PHE 42 HZ PHE 42 -5.371 -8.576 -13.410 256 H LYS 43 H LYS 43 -13.291 -9.651 -11.573 257 HA LYS 43 HA LYS 43 -14.969 -9.226 -13.801 258 HB2 LYS 43 2HB LYS 43 -16.535 -10.607 -12.714 259 HB3 LYS 43 3HB LYS 43 -14.969 -11.197 -12.174 260 HG2 LYS 43 2HG LYS 43 -15.995 -11.132 -10.167 261 HG3 LYS 43 3HG LYS 43 -15.448 -9.454 -10.214 262 HD2 LYS 43 2HD LYS 43 -17.775 -9.143 -11.465 263 HD3 LYS 43 3HD LYS 43 -18.180 -10.579 -10.522 264 HE2 LYS 43 2HE LYS 43 -16.813 -8.744 -8.831 265 HE3 LYS 43 3HE LYS 43 -18.091 -7.872 -9.677 266 HZ1 LYS 43 1HZ LYS 43 -18.785 -10.467 -8.540 267 HZ2 LYS 43 2HZ LYS 43 -19.705 -9.052 -8.648 268 HZ3 LYS 43 3HZ LYS 43 -18.523 -9.201 -7.447 269 H ARG 44 H ARG 44 -14.643 -7.602 -10.735 270 HA ARG 44 HA ARG 44 -17.134 -6.192 -10.899 271 HB2 ARG 44 2HB ARG 44 -16.206 -6.561 -8.722 272 HB3 ARG 44 3HB ARG 44 -14.680 -5.818 -9.182 273 HG2 ARG 44 2HG ARG 44 -15.802 -3.654 -9.398 274 HG3 ARG 44 3HG ARG 44 -17.325 -4.405 -8.917 275 HD2 ARG 44 2HD ARG 44 -16.290 -5.048 -6.770 276 HD3 ARG 44 3HD ARG 44 -14.816 -4.213 -7.255 277 HE ARG 44 HE ARG 44 -15.797 -2.252 -6.639 278 HH11 ARG 44 1HH1 ARG 44 -18.295 -4.610 -7.205 279 HH12 ARG 44 2HH1 ARG 44 -19.577 -3.571 -6.677 280 HH21 ARG 44 1HH2 ARG 44 -17.476 -0.874 -5.941 281 HH22 ARG 44 2HH2 ARG 44 -19.110 -1.446 -5.959 282 H GLU 45 H GLU 45 -13.927 -5.715 -12.103 283 HA GLU 45 HA GLU 45 -14.482 -2.919 -12.770 284 HB2 GLU 45 2HB GLU 45 -11.971 -4.586 -12.892 285 HB3 GLU 45 3HB GLU 45 -12.072 -2.967 -13.570 286 HG2 GLU 45 2HG GLU 45 -12.982 -3.188 -10.794 287 HG3 GLU 45 3HG GLU 45 -11.275 -3.548 -11.046 288 H VAL 46 H VAL 46 -14.588 -6.023 -14.137 289 HA VAL 46 HA VAL 46 -14.205 -5.124 -16.874 290 HB VAL 46 HB VAL 46 -13.565 -7.452 -15.857 291 HG11 VAL 46 1HG1 VAL 46 -16.233 -8.265 -16.909 292 HG12 VAL 46 2HG1 VAL 46 -15.164 -9.100 -15.781 293 HG13 VAL 46 3HG1 VAL 46 -16.102 -7.707 -15.242 294 HG21 VAL 46 1HG2 VAL 46 -13.138 -6.873 -18.147 295 HG22 VAL 46 2HG2 VAL 46 -13.863 -8.480 -18.105 296 HG23 VAL 46 3HG2 VAL 46 -14.838 -7.085 -18.566 297 H ALA 47 H ALA 47 -16.773 -5.599 -14.638 298 HA ALA 47 HA ALA 47 -18.915 -6.139 -16.352 299 HB1 ALA 47 1HB ALA 47 -19.346 -6.383 -14.070 300 HB2 ALA 47 2HB ALA 47 -18.737 -4.772 -13.688 301 HB3 ALA 47 3HB ALA 47 -20.275 -4.957 -14.531 302 H ALA 48 H ALA 48 -17.056 -3.286 -15.936 303 HA ALA 48 HA ALA 48 -18.881 -1.291 -16.623 304 HB1 ALA 48 1HB ALA 48 -16.736 -0.676 -15.790 305 HB2 ALA 48 2HB ALA 48 -15.919 -1.491 -17.125 306 HB3 ALA 48 3HB ALA 48 -16.869 -0.036 -17.429 307 H LEU 49 H LEU 49 -17.045 -3.514 -18.643 308 HA LEU 49 HA LEU 49 -18.414 -2.419 -21.010 309 HB2 LEU 49 2HB LEU 49 -15.979 -4.162 -21.119 310 HB3 LEU 49 3HB LEU 49 -16.611 -3.068 -22.348 311 HG LEU 49 HG LEU 49 -15.179 -2.312 -19.804 312 HD11 LEU 49 1HD1 LEU 49 -14.456 -2.069 -22.719 313 HD12 LEU 49 2HD1 LEU 49 -13.679 -3.093 -21.513 314 HD13 LEU 49 3HD1 LEU 49 -13.550 -1.338 -21.394 315 HD21 LEU 49 1HD2 LEU 49 -16.623 -0.548 -19.969 316 HD22 LEU 49 2HD2 LEU 49 -16.816 -0.723 -21.714 317 HD23 LEU 49 3HD2 LEU 49 -15.348 0.002 -21.056 318 H ASP 50 H ASP 50 -17.914 -5.198 -19.033 319 HA ASP 50 HA ASP 50 -19.229 -6.945 -20.985 320 HB2 ASP 50 2HB ASP 50 -17.193 -7.353 -19.036 321 HB3 ASP 50 3HB ASP 50 -18.583 -8.332 -18.576 322 HA PRO 51 HA PRO 51 -22.935 -5.968 -18.597 323 HB2 PRO 51 2HB PRO 51 -24.651 -6.964 -20.450 324 HB3 PRO 51 3HB PRO 51 -23.925 -5.358 -20.579 325 HG2 PRO 51 2HG PRO 51 -23.122 -7.912 -21.918 326 HG3 PRO 51 3HG PRO 51 -23.232 -6.279 -22.599 327 HD2 PRO 51 2HD PRO 51 -20.880 -7.388 -21.846 328 HD3 PRO 51 3HD PRO 51 -21.193 -5.644 -21.732 329 H ILE 52 H ILE 52 -22.010 -9.016 -20.090 330 HA ILE 52 HA ILE 52 -23.917 -10.569 -18.592 331 HB ILE 52 HB ILE 52 -23.048 -11.224 -20.859 332 HG12 ILE 52 2HG1 ILE 52 -22.333 -13.591 -19.348 333 HG13 ILE 52 3HG1 ILE 52 -23.736 -12.795 -18.645 334 HG21 ILE 52 1HG2 ILE 52 -20.591 -12.023 -19.306 335 HG22 ILE 52 2HG2 ILE 52 -20.895 -12.321 -21.016 336 HG23 ILE 52 3HG2 ILE 52 -20.688 -10.670 -20.432 337 HD11 ILE 52 1HD1 ILE 52 -25.066 -13.385 -20.340 338 HD12 ILE 52 2HD1 ILE 52 -23.828 -13.069 -21.556 339 HD13 ILE 52 3HD1 ILE 52 -23.822 -14.591 -20.667 340 H ASN 53 H ASN 53 -23.490 -11.980 -16.892 341 HA ASN 53 HA ASN 53 -21.553 -11.112 -15.019 342 HB2 ASN 53 2HB ASN 53 -23.783 -12.924 -15.067 343 HB3 ASN 53 3HB ASN 53 -22.407 -13.711 -14.299 344 HD21 ASN 53 1HD2 ASN 53 -23.595 -13.667 -12.340 345 HD22 ASN 53 2HD2 ASN 53 -23.689 -12.222 -11.398 346 H LEU 54 H LEU 54 -19.480 -11.634 -14.834 347 HA LEU 54 HA LEU 54 -18.217 -13.425 -16.636 348 HB2 LEU 54 2HB LEU 54 -16.934 -11.602 -15.907 349 HB3 LEU 54 3HB LEU 54 -17.297 -11.918 -14.211 350 HG LEU 54 HG LEU 54 -15.864 -13.908 -14.283 351 HD11 LEU 54 1HD1 LEU 54 -14.297 -13.731 -16.473 352 HD12 LEU 54 2HD1 LEU 54 -15.858 -13.273 -17.155 353 HD13 LEU 54 3HD1 LEU 54 -15.676 -14.821 -16.329 354 HD21 LEU 54 1HD2 LEU 54 -13.818 -12.235 -15.246 355 HD22 LEU 54 2HD2 LEU 54 -14.313 -12.490 -13.572 356 HD23 LEU 54 3HD2 LEU 54 -15.027 -11.180 -14.513 357 H GLU 55 H GLU 55 -19.745 -13.858 -13.614 358 HA GLU 55 HA GLU 55 -18.276 -16.099 -12.677 359 HB2 GLU 55 2HB GLU 55 -20.278 -14.499 -11.662 360 HB3 GLU 55 3HB GLU 55 -21.101 -16.031 -11.917 361 HG2 GLU 55 2HG GLU 55 -19.241 -17.126 -10.634 362 HG3 GLU 55 3HG GLU 55 -18.677 -15.507 -10.222 363 H GLU 56 H GLU 56 -20.371 -15.720 -15.279 364 HA GLU 56 HA GLU 56 -21.437 -18.412 -15.238 365 HB2 GLU 56 2HB GLU 56 -21.564 -16.341 -17.437 366 HB3 GLU 56 3HB GLU 56 -22.523 -17.810 -17.329 367 HG2 GLU 56 2HG GLU 56 -22.641 -15.726 -15.184 368 HG3 GLU 56 3HG GLU 56 -23.601 -15.584 -16.655 369 H TYR 57 H TYR 57 -18.694 -16.760 -16.497 370 HA TYR 57 HA TYR 57 -18.055 -19.035 -18.247 371 HB2 TYR 57 2HB TYR 57 -16.663 -16.359 -18.213 372 HB3 TYR 57 3HB TYR 57 -16.590 -17.598 -19.460 373 HD1 TYR 57 HD1 TYR 57 -19.563 -18.207 -19.581 374 HD2 TYR 57 HD2 TYR 57 -17.417 -14.533 -19.517 375 HE1 TYR 57 HE1 TYR 57 -21.411 -17.114 -20.779 376 HE2 TYR 57 HE2 TYR 57 -19.260 -13.429 -20.714 377 HH TYR 57 HH TYR 57 -22.112 -15.252 -21.780 378 H VAL 58 H VAL 58 -15.637 -19.492 -18.383 379 HA VAL 58 HA VAL 58 -14.524 -19.514 -15.654 380 HB VAL 58 HB VAL 58 -13.319 -21.564 -16.285 381 HG11 VAL 58 1HG1 VAL 58 -15.805 -22.695 -16.936 382 HG12 VAL 58 2HG1 VAL 58 -15.071 -22.547 -15.338 383 HG13 VAL 58 3HG1 VAL 58 -16.152 -21.286 -15.935 384 HG21 VAL 58 1HG2 VAL 58 -13.921 -22.742 -18.358 385 HG22 VAL 58 2HG2 VAL 58 -14.888 -21.354 -18.854 386 HG23 VAL 58 3HG2 VAL 58 -13.141 -21.193 -18.680 387 H VAL 59 H VAL 59 -12.369 -19.032 -15.343 388 HA VAL 59 HA VAL 59 -10.928 -17.981 -17.691 389 HB VAL 59 HB VAL 59 -11.708 -16.181 -16.173 390 HG11 VAL 59 1HG1 VAL 59 -11.599 -17.472 -14.080 391 HG12 VAL 59 2HG1 VAL 59 -9.837 -17.440 -14.169 392 HG13 VAL 59 3HG1 VAL 59 -10.739 -15.937 -13.965 393 HG21 VAL 59 1HG2 VAL 59 -8.763 -16.667 -16.506 394 HG22 VAL 59 2HG2 VAL 59 -9.824 -15.634 -17.464 395 HG23 VAL 59 3HG2 VAL 59 -9.392 -15.170 -15.818 396 H ASN 60 H ASN 60 -8.867 -18.627 -17.984 397 HA ASN 60 HA ASN 60 -7.807 -20.587 -16.084 398 HB2 ASN 60 2HB ASN 60 -6.302 -21.256 -17.909 399 HB3 ASN 60 3HB ASN 60 -7.987 -21.306 -18.420 400 HD21 ASN 60 1HD2 ASN 60 -5.071 -19.328 -18.498 401 HD22 ASN 60 2HD2 ASN 60 -5.425 -18.547 -19.998 402 H HIS 61 H HIS 61 -5.798 -20.405 -15.146 403 HA HIS 61 HA HIS 61 -4.543 -17.749 -15.353 404 HB2 HIS 61 2HB HIS 61 -3.554 -18.430 -13.067 405 HB3 HIS 61 3HB HIS 61 -5.253 -17.971 -13.132 406 HD1 HIS 61 HD1 HIS 61 -6.997 -19.809 -12.687 407 HD2 HIS 61 HD2 HIS 61 -3.066 -21.139 -12.503 408 HE1 HIS 61 HE1 HIS 61 -7.109 -22.096 -11.646 409 H GLU 62 H GLU 62 -2.731 -17.743 -16.497 410 HA GLU 62 HA GLU 62 -0.771 -18.388 -17.459 411 HB2 GLU 62 2HB GLU 62 -0.515 -19.964 -14.891 412 HB3 GLU 62 3HB GLU 62 0.797 -19.640 -16.016 413 HG2 GLU 62 2HG GLU 62 -0.602 -17.237 -15.145 414 HG3 GLU 62 3HG GLU 62 0.155 -18.132 -13.829 415 H GLY 63 H GLY 63 -3.142 -19.930 -18.080 416 HA2 GLY 63 2HA GLY 63 -3.492 -21.692 -19.554 417 HA3 GLY 63 3HA GLY 63 -1.827 -22.194 -19.305 418 H LYS 64 H LYS 64 -3.508 -21.674 -16.410 419 HA LYS 64 HA LYS 64 -4.032 -24.563 -16.153 420 HB2 LYS 64 2HB LYS 64 -2.455 -22.753 -14.505 421 HB3 LYS 64 3HB LYS 64 -3.685 -23.594 -13.572 422 HG2 LYS 64 2HG LYS 64 -2.817 -25.716 -14.177 423 HG3 LYS 64 3HG LYS 64 -1.753 -25.005 -15.393 424 HD2 LYS 64 2HD LYS 64 -0.544 -23.825 -13.586 425 HD3 LYS 64 3HD LYS 64 -1.567 -24.641 -12.402 426 HE2 LYS 64 2HE LYS 64 -0.600 -26.684 -14.019 427 HE3 LYS 64 3HE LYS 64 0.777 -25.603 -13.805 428 HZ1 LYS 64 1HZ LYS 64 -0.513 -27.332 -11.899 429 HZ2 LYS 64 2HZ LYS 64 -0.244 -25.768 -11.312 430 HZ3 LYS 64 3HZ LYS 64 1.052 -26.689 -11.890 431 H LEU 65 H LEU 65 -6.068 -25.098 -15.725 432 HA LEU 65 HA LEU 65 -7.866 -23.015 -14.676 433 HB2 LEU 65 2HB LEU 65 -8.111 -24.945 -16.845 434 HB3 LEU 65 3HB LEU 65 -9.483 -24.974 -15.739 435 HG LEU 65 HG LEU 65 -8.615 -22.323 -16.744 436 HD11 LEU 65 1HD1 LEU 65 -9.695 -24.504 -18.466 437 HD12 LEU 65 2HD1 LEU 65 -8.504 -23.258 -18.839 438 HD13 LEU 65 3HD1 LEU 65 -10.214 -22.841 -18.742 439 HD21 LEU 65 1HD2 LEU 65 -10.460 -22.378 -15.250 440 HD22 LEU 65 2HD2 LEU 65 -11.235 -23.682 -16.150 441 HD23 LEU 65 3HD2 LEU 65 -11.114 -22.071 -16.859 442 H LEU 66 H LEU 66 -8.367 -23.312 -12.615 443 HA LEU 66 HA LEU 66 -8.357 -26.024 -11.507 444 HB2 LEU 66 2HB LEU 66 -7.249 -23.758 -10.551 445 HB3 LEU 66 3HB LEU 66 -8.811 -23.710 -9.737 446 HG LEU 66 HG LEU 66 -8.319 -26.009 -8.859 447 HD11 LEU 66 1HD1 LEU 66 -5.439 -25.650 -9.274 448 HD12 LEU 66 2HD1 LEU 66 -6.350 -26.062 -10.726 449 HD13 LEU 66 3HD1 LEU 66 -6.422 -27.114 -9.313 450 HD21 LEU 66 1HD2 LEU 66 -6.107 -24.644 -7.681 451 HD22 LEU 66 2HD2 LEU 66 -7.722 -24.912 -7.026 452 HD23 LEU 66 3HD2 LEU 66 -7.394 -23.483 -8.008 453 H LEU 67 H LEU 67 -10.078 -26.710 -10.098 454 HA LEU 67 HA LEU 67 -12.665 -25.989 -11.133 455 HB2 LEU 67 2HB LEU 67 -11.554 -28.259 -10.010 456 HB3 LEU 67 3HB LEU 67 -12.671 -27.685 -8.773 457 HG LEU 67 HG LEU 67 -14.380 -27.606 -10.739 458 HD11 LEU 67 1HD1 LEU 67 -13.447 -28.163 -12.696 459 HD12 LEU 67 2HD1 LEU 67 -13.589 -29.821 -12.111 460 HD13 LEU 67 3HD1 LEU 67 -12.067 -28.949 -11.929 461 HD21 LEU 67 1HD2 LEU 67 -15.232 -29.593 -9.986 462 HD22 LEU 67 2HD2 LEU 67 -14.096 -29.227 -8.688 463 HD23 LEU 67 3HD2 LEU 67 -13.655 -30.383 -9.945 464 H ASP 68 H ASP 68 -10.759 -25.236 -8.342 465 HA ASP 68 HA ASP 68 -13.025 -23.707 -7.240 466 HB2 ASP 68 2HB ASP 68 -11.096 -25.517 -5.938 467 HB3 ASP 68 3HB ASP 68 -11.361 -23.990 -5.101 468 H ASP 69 H ASP 69 -12.102 -21.943 -5.664 469 HA ASP 69 HA ASP 69 -9.828 -20.621 -6.990 470 HB2 ASP 69 2HB ASP 69 -11.106 -18.456 -6.282 471 HB3 ASP 69 3HB ASP 69 -11.592 -19.312 -7.742 472 H SER 70 H SER 70 -9.675 -22.267 -4.686 473 HA SER 70 HA SER 70 -9.435 -20.435 -2.430 474 HB2 SER 70 2HB SER 70 -9.834 -23.283 -2.747 475 HB3 SER 70 3HB SER 70 -8.477 -22.963 -1.668 476 HG SER 70 HG SER 70 -11.111 -22.695 -1.201 477 H VAL 71 H VAL 71 -7.495 -21.908 -4.846 478 HA VAL 71 HA VAL 71 -5.005 -21.868 -3.465 479 HB VAL 71 HB VAL 71 -3.983 -22.122 -5.695 480 HG11 VAL 71 1HG1 VAL 71 -4.955 -24.046 -4.411 481 HG12 VAL 71 2HG1 VAL 71 -6.391 -23.911 -5.428 482 HG13 VAL 71 3HG1 VAL 71 -4.830 -24.299 -6.152 483 HG21 VAL 71 1HG2 VAL 71 -5.369 -20.743 -7.052 484 HG22 VAL 71 2HG2 VAL 71 -5.539 -22.394 -7.649 485 HG23 VAL 71 3HG2 VAL 71 -6.806 -21.683 -6.649 486 H THR 72 H THR 72 -3.658 -20.232 -3.086 487 HA THR 72 HA THR 72 -4.390 -17.560 -3.800 488 HB THR 72 HB THR 72 -2.636 -16.824 -2.435 489 HG1 THR 72 HG1 THR 72 -0.749 -17.849 -2.250 490 HG21 THR 72 1HG2 THR 72 -3.160 -17.790 -0.442 491 HG22 THR 72 2HG2 THR 72 -2.923 -19.428 -1.050 492 HG23 THR 72 3HG2 THR 72 -4.409 -18.556 -1.423 493 H LEU 73 H LEU 73 -2.128 -16.218 -4.359 494 HA LEU 73 HA LEU 73 -1.770 -16.711 -7.132 495 HB2 LEU 73 2HB LEU 73 -0.692 -14.777 -5.148 496 HB3 LEU 73 3HB LEU 73 0.163 -14.961 -6.678 497 HG LEU 73 HG LEU 73 -2.535 -14.629 -7.359 498 HD11 LEU 73 1HD1 LEU 73 -2.432 -13.717 -4.843 499 HD12 LEU 73 2HD1 LEU 73 -3.454 -13.003 -6.090 500 HD13 LEU 73 3HD1 LEU 73 -1.897 -12.271 -5.700 501 HD21 LEU 73 1HD2 LEU 73 -0.005 -13.095 -7.569 502 HD22 LEU 73 2HD2 LEU 73 -1.509 -12.244 -7.921 503 HD23 LEU 73 3HD2 LEU 73 -1.080 -13.691 -8.834 504 H GLN 74 H GLN 74 0.454 -16.950 -4.360 505 HA GLN 74 HA GLN 74 2.556 -18.096 -5.920 506 HB2 GLN 74 2HB GLN 74 2.186 -17.169 -3.214 507 HB3 GLN 74 3HB GLN 74 2.993 -18.732 -3.217 508 HG2 GLN 74 2HG GLN 74 4.675 -17.837 -4.770 509 HG3 GLN 74 3HG GLN 74 3.882 -16.264 -4.692 510 HE21 GLN 74 1HE2 GLN 74 5.665 -15.235 -3.840 511 HE22 GLN 74 2HE2 GLN 74 6.207 -15.493 -2.220 512 H THR 75 H THR 75 -0.111 -19.340 -4.055 513 HA THR 75 HA THR 75 0.740 -21.962 -3.628 514 HB THR 75 HB THR 75 -2.062 -20.946 -4.140 515 HG1 THR 75 HG1 THR 75 -0.574 -21.427 -1.756 516 HG21 THR 75 1HG2 THR 75 -1.071 -23.592 -3.083 517 HG22 THR 75 2HG2 THR 75 -2.080 -23.308 -4.501 518 HG23 THR 75 3HG2 THR 75 -2.727 -23.021 -2.886 519 H VAL 76 H VAL 76 -1.061 -20.590 -6.372 520 HA VAL 76 HA VAL 76 -1.085 -23.067 -7.817 521 HB VAL 76 HB VAL 76 -2.849 -21.369 -8.121 522 HG11 VAL 76 1HG1 VAL 76 -0.713 -19.762 -9.518 523 HG12 VAL 76 2HG1 VAL 76 -2.422 -19.344 -9.383 524 HG13 VAL 76 3HG1 VAL 76 -1.406 -19.383 -7.941 525 HG21 VAL 76 1HG2 VAL 76 -1.977 -21.307 -10.835 526 HG22 VAL 76 2HG2 VAL 76 -1.509 -22.850 -10.121 527 HG23 VAL 76 3HG2 VAL 76 -3.196 -22.340 -10.088 528 H GLY 77 H GLY 77 1.053 -20.350 -7.573 529 HA2 GLY 77 2HA GLY 77 3.315 -20.428 -8.260 530 HA3 GLY 77 3HA GLY 77 2.895 -21.682 -9.418 531 H VAL 78 H VAL 78 1.192 -18.627 -9.021 532 HA VAL 78 HA VAL 78 1.292 -18.059 -11.796 533 HB VAL 78 HB VAL 78 -0.508 -17.268 -10.261 534 HG11 VAL 78 1HG1 VAL 78 1.137 -14.933 -9.472 535 HG12 VAL 78 2HG1 VAL 78 -0.195 -15.722 -8.625 536 HG13 VAL 78 3HG1 VAL 78 1.414 -16.446 -8.610 537 HG21 VAL 78 1HG2 VAL 78 0.894 -15.088 -11.805 538 HG22 VAL 78 2HG2 VAL 78 -0.185 -16.299 -12.496 539 HG23 VAL 78 3HG2 VAL 78 -0.810 -15.114 -11.349 540 H LYS 79 H LYS 79 2.588 -16.742 -12.973 541 HA LYS 79 HA LYS 79 5.163 -16.097 -11.928 542 HB2 LYS 79 2HB LYS 79 3.847 -16.123 -14.526 543 HB3 LYS 79 3HB LYS 79 4.910 -14.734 -14.337 544 HG2 LYS 79 2HG LYS 79 6.791 -16.130 -13.920 545 HG3 LYS 79 3HG LYS 79 5.771 -17.566 -13.803 546 HD2 LYS 79 2HD LYS 79 5.496 -17.722 -16.067 547 HD3 LYS 79 3HD LYS 79 5.666 -15.983 -16.317 548 HE2 LYS 79 2HE LYS 79 8.039 -16.110 -16.035 549 HE3 LYS 79 3HE LYS 79 7.941 -17.795 -15.527 550 HZ1 LYS 79 1HZ LYS 79 6.720 -17.645 -18.008 551 HZ2 LYS 79 2HZ LYS 79 8.209 -18.357 -17.638 552 HZ3 LYS 79 3HZ LYS 79 8.146 -16.743 -18.140 553 H LYS 80 H LYS 80 6.126 -13.884 -12.228 554 HA LYS 80 HA LYS 80 4.917 -12.027 -10.578 555 HB2 LYS 80 2HB LYS 80 7.351 -12.171 -11.502 556 HB3 LYS 80 3HB LYS 80 6.741 -11.141 -12.790 557 HG2 LYS 80 2HG LYS 80 5.912 -10.048 -10.299 558 HG3 LYS 80 3HG LYS 80 7.641 -10.396 -10.219 559 HD2 LYS 80 2HD LYS 80 8.002 -9.129 -12.272 560 HD3 LYS 80 3HD LYS 80 6.270 -8.808 -12.390 561 HE2 LYS 80 2HE LYS 80 6.593 -7.824 -9.989 562 HE3 LYS 80 3HE LYS 80 8.284 -7.712 -10.474 563 HZ1 LYS 80 1HZ LYS 80 7.829 -5.908 -11.648 564 HZ2 LYS 80 2HZ LYS 80 6.240 -5.941 -11.069 565 HZ3 LYS 80 3HZ LYS 80 6.625 -6.708 -12.527 566 H ASP 81 H ASP 81 4.956 -12.086 -14.133 567 HA ASP 81 HA ASP 81 3.447 -9.748 -14.518 568 HB2 ASP 81 2HB ASP 81 3.978 -12.171 -16.217 569 HB3 ASP 81 3HB ASP 81 2.884 -10.905 -16.769 570 H SER 82 H SER 82 2.512 -13.065 -13.895 571 HA SER 82 HA SER 82 0.493 -14.070 -13.562 572 HB2 SER 82 2HB SER 82 -0.662 -11.444 -12.704 573 HB3 SER 82 3HB SER 82 -0.862 -13.042 -11.985 574 HG SER 82 HG SER 82 1.461 -11.413 -11.892 575 H VAL 83 H VAL 83 0.138 -14.388 -15.822 576 HA VAL 83 HA VAL 83 -1.837 -12.557 -17.014 577 HB VAL 83 HB VAL 83 0.144 -12.718 -18.379 578 HG11 VAL 83 1HG1 VAL 83 1.380 -14.559 -18.468 579 HG12 VAL 83 2HG1 VAL 83 0.177 -15.402 -17.490 580 HG13 VAL 83 3HG1 VAL 83 0.061 -15.430 -19.250 581 HG21 VAL 83 1HG2 VAL 83 -1.994 -12.584 -19.544 582 HG22 VAL 83 2HG2 VAL 83 -0.833 -13.533 -20.473 583 HG23 VAL 83 3HG2 VAL 83 -2.107 -14.344 -19.562 584 H PHE 84 H PHE 84 -3.859 -13.256 -17.078 585 HA PHE 84 HA PHE 84 -4.349 -16.153 -17.274 586 HB2 PHE 84 2HB PHE 84 -6.458 -14.623 -15.929 587 HB3 PHE 84 3HB PHE 84 -5.722 -16.160 -15.484 588 HD1 PHE 84 HD1 PHE 84 -5.461 -12.509 -15.199 589 HD2 PHE 84 HD2 PHE 84 -3.912 -16.266 -13.934 590 HE1 PHE 84 HE1 PHE 84 -4.229 -11.387 -13.388 591 HE2 PHE 84 HE2 PHE 84 -2.678 -15.150 -12.121 592 HZ PHE 84 HZ PHE 84 -2.836 -12.708 -11.846 593 H VAL 85 H VAL 85 -5.823 -16.797 -18.749 594 HA VAL 85 HA VAL 85 -7.040 -14.702 -20.405 595 HB VAL 85 HB VAL 85 -6.773 -17.635 -21.066 596 HG11 VAL 85 1HG1 VAL 85 -7.781 -15.235 -22.485 597 HG12 VAL 85 2HG1 VAL 85 -6.881 -16.424 -23.429 598 HG13 VAL 85 3HG1 VAL 85 -8.333 -16.908 -22.553 599 HG21 VAL 85 1HG2 VAL 85 -4.871 -15.365 -21.387 600 HG22 VAL 85 2HG2 VAL 85 -4.554 -17.054 -20.991 601 HG23 VAL 85 3HG2 VAL 85 -4.947 -16.595 -22.648 602 H LEU 86 H LEU 86 -9.212 -14.589 -20.766 603 HA LEU 86 HA LEU 86 -10.892 -16.402 -19.166 604 HB2 LEU 86 2HB LEU 86 -11.163 -14.250 -18.293 605 HB3 LEU 86 3HB LEU 86 -11.172 -13.508 -19.891 606 HG LEU 86 HG LEU 86 -13.399 -14.529 -20.296 607 HD11 LEU 86 1HD1 LEU 86 -14.641 -15.500 -18.488 608 HD12 LEU 86 2HD1 LEU 86 -13.311 -15.222 -17.365 609 HD13 LEU 86 3HD1 LEU 86 -13.129 -16.388 -18.675 610 HD21 LEU 86 1HD2 LEU 86 -14.629 -13.014 -18.781 611 HD22 LEU 86 2HD2 LEU 86 -13.257 -12.233 -19.567 612 HD23 LEU 86 3HD2 LEU 86 -13.136 -12.741 -17.882 613 H VAL 87 H VAL 87 -12.499 -17.517 -20.126 614 HA VAL 87 HA VAL 87 -13.305 -16.820 -22.850 615 HB VAL 87 HB VAL 87 -12.491 -19.633 -22.115 616 HG11 VAL 87 1HG1 VAL 87 -13.913 -20.006 -23.833 617 HG12 VAL 87 2HG1 VAL 87 -13.761 -18.364 -24.460 618 HG13 VAL 87 3HG1 VAL 87 -12.507 -19.558 -24.798 619 HG21 VAL 87 1HG2 VAL 87 -10.450 -18.515 -22.202 620 HG22 VAL 87 2HG2 VAL 87 -10.647 -19.129 -23.844 621 HG23 VAL 87 3HG2 VAL 87 -10.985 -17.435 -23.490 622 H ARG 88 H ARG 88 -15.350 -17.596 -23.454 623 HA ARG 88 HA ARG 88 -17.218 -17.837 -21.344 624 HB2 ARG 88 2HB ARG 88 -17.537 -18.371 -24.303 625 HB3 ARG 88 3HB ARG 88 -18.864 -18.265 -23.153 626 HG2 ARG 88 2HG ARG 88 -18.102 -15.931 -22.638 627 HG3 ARG 88 3HG ARG 88 -16.986 -16.075 -23.997 628 HD2 ARG 88 2HD ARG 88 -19.252 -16.863 -25.194 629 HD3 ARG 88 3HD ARG 88 -19.929 -15.790 -23.970 630 HE ARG 88 HE ARG 88 -19.082 -14.004 -25.121 631 HH11 ARG 88 1HH1 ARG 88 -17.537 -16.915 -26.240 632 HH12 ARG 88 2HH1 ARG 88 -16.717 -16.132 -27.551 633 HH21 ARG 88 1HH2 ARG 88 -18.009 -12.961 -26.843 634 HH22 ARG 88 2HH2 ARG 88 -16.985 -13.883 -27.892 635 H LYS 89 H LYS 89 -18.270 -19.572 -20.495 636 HA LYS 89 HA LYS 89 -17.048 -22.161 -20.906 637 HB2 LYS 89 2HB LYS 89 -17.713 -21.207 -18.648 638 HB3 LYS 89 3HB LYS 89 -19.383 -21.509 -19.110 639 HG2 LYS 89 2HG LYS 89 -18.914 -23.886 -19.316 640 HG3 LYS 89 3HG LYS 89 -17.223 -23.598 -18.901 641 HD2 LYS 89 2HD LYS 89 -17.814 -23.941 -16.777 642 HD3 LYS 89 3HD LYS 89 -18.629 -22.377 -16.851 643 HE2 LYS 89 2HE LYS 89 -20.333 -23.741 -16.121 644 HE3 LYS 89 3HE LYS 89 -20.589 -23.773 -17.865 645 HZ1 LYS 89 1HZ LYS 89 -18.789 -25.811 -17.191 646 HZ2 LYS 89 2HZ LYS 89 -20.349 -25.958 -17.828 647 HZ3 LYS 89 3HZ LYS 89 -20.120 -25.929 -16.152 648 H ALA 90 H ALA 90 -20.156 -20.611 -21.499 649 HA ALA 90 HA ALA 90 -20.876 -22.880 -23.223 650 HB1 ALA 90 1HB ALA 90 -23.174 -21.606 -21.956 651 HB2 ALA 90 2HB ALA 90 -22.798 -23.316 -22.168 652 HB3 ALA 90 3HB ALA 90 -22.104 -22.422 -20.816 Start of MODEL 6 1 H1 MET 10 H MET 10 1.217 0.369 -1.627 2 HA MET 10 HA MET 10 3.014 0.580 -3.013 3 HB2 MET 10 2HB MET 10 4.464 2.589 -2.535 4 HB3 MET 10 3HB MET 10 2.739 2.914 -2.645 5 HG2 MET 10 2HG MET 10 2.589 2.934 -0.207 6 HG3 MET 10 3HG MET 10 4.319 2.617 -0.101 7 HE1 MET 10 1HE MET 10 2.582 5.844 0.966 8 HE2 MET 10 2HE MET 10 2.024 6.349 -0.629 9 HE3 MET 10 3HE MET 10 1.618 4.744 -0.019 10 H SER 11 H SER 11 3.549 -1.575 -1.808 11 HA SER 11 HA SER 11 6.384 -1.474 -1.224 12 HB2 SER 11 2HB SER 11 4.877 -3.068 0.768 13 HB3 SER 11 3HB SER 11 6.355 -2.125 0.961 14 HG SER 11 HG SER 11 4.968 -0.867 1.981 15 H GLU 12 H GLU 12 3.552 -3.637 -1.076 16 HA GLU 12 HA GLU 12 5.128 -5.641 -2.553 17 HB2 GLU 12 2HB GLU 12 3.051 -5.899 -0.413 18 HB3 GLU 12 3HB GLU 12 3.252 -7.198 -1.580 19 HG2 GLU 12 2HG GLU 12 5.747 -6.249 -0.376 20 HG3 GLU 12 3HG GLU 12 4.610 -6.978 0.757 21 H THR 13 H THR 13 4.434 -4.350 -4.462 22 HA THR 13 HA THR 13 1.635 -4.692 -5.219 23 HB THR 13 HB THR 13 2.908 -3.525 -7.381 24 HG1 THR 13 HG1 THR 13 4.469 -2.240 -6.648 25 HG21 THR 13 1HG2 THR 13 0.921 -2.543 -6.826 26 HG22 THR 13 2HG2 THR 13 2.021 -1.356 -6.124 27 HG23 THR 13 3HG2 THR 13 1.264 -2.574 -5.097 28 H ILE 14 H ILE 14 0.969 -5.805 -7.065 29 HA ILE 14 HA ILE 14 2.976 -7.450 -8.431 30 HB ILE 14 HB ILE 14 0.372 -8.585 -7.415 31 HG12 ILE 14 2HG1 ILE 14 1.941 -8.042 -5.565 32 HG13 ILE 14 3HG1 ILE 14 1.663 -9.771 -5.739 33 HG21 ILE 14 1HG2 ILE 14 2.718 -9.724 -8.896 34 HG22 ILE 14 2HG2 ILE 14 1.625 -10.747 -7.966 35 HG23 ILE 14 3HG2 ILE 14 1.007 -9.793 -9.314 36 HD11 ILE 14 1HD1 ILE 14 3.820 -10.159 -6.055 37 HD12 ILE 14 2HD1 ILE 14 3.936 -8.906 -7.291 38 HD13 ILE 14 3HD1 ILE 14 4.105 -8.482 -5.588 39 HA PRO 15 HA PRO 15 0.423 -5.589 -11.670 40 HB2 PRO 15 2HB PRO 15 2.258 -5.980 -13.632 41 HB3 PRO 15 3HB PRO 15 2.340 -4.629 -12.496 42 HG2 PRO 15 2HG PRO 15 3.819 -7.232 -12.453 43 HG3 PRO 15 3HG PRO 15 4.422 -5.597 -12.125 44 HD2 PRO 15 2HD PRO 15 3.802 -7.344 -10.152 45 HD3 PRO 15 3HD PRO 15 3.600 -5.589 -9.972 46 H VAL 16 H VAL 16 -1.170 -6.767 -12.510 47 HA VAL 16 HA VAL 16 -0.525 -9.419 -13.628 48 HB VAL 16 HB VAL 16 -2.827 -10.108 -13.099 49 HG11 VAL 16 1HG1 VAL 16 -2.328 -10.737 -10.970 50 HG12 VAL 16 2HG1 VAL 16 -0.739 -10.144 -11.458 51 HG13 VAL 16 3HG1 VAL 16 -1.806 -9.121 -10.495 52 HG21 VAL 16 1HG2 VAL 16 -3.719 -7.740 -13.127 53 HG22 VAL 16 2HG2 VAL 16 -4.319 -8.778 -11.834 54 HG23 VAL 16 3HG2 VAL 16 -3.075 -7.575 -11.494 55 H SER 17 H SER 17 -1.666 -10.075 -15.502 56 HA SER 17 HA SER 17 -2.991 -7.896 -16.973 57 HB2 SER 17 2HB SER 17 -0.543 -8.552 -17.657 58 HB3 SER 17 3HB SER 17 -1.333 -9.930 -18.423 59 HG SER 17 HG SER 17 -1.322 -8.381 -19.958 60 H VAL 18 H VAL 18 -4.735 -8.449 -18.227 61 HA VAL 18 HA VAL 18 -5.530 -11.284 -18.242 62 HB VAL 18 HB VAL 18 -7.471 -9.014 -17.820 63 HG11 VAL 18 1HG1 VAL 18 -7.672 -11.953 -18.095 64 HG12 VAL 18 2HG1 VAL 18 -8.709 -11.191 -16.887 65 HG13 VAL 18 3HG1 VAL 18 -8.803 -10.687 -18.575 66 HG21 VAL 18 1HG2 VAL 18 -7.377 -10.555 -15.501 67 HG22 VAL 18 2HG2 VAL 18 -5.690 -10.278 -15.932 68 HG23 VAL 18 3HG2 VAL 18 -6.779 -8.909 -15.707 69 H GLN 19 H GLN 19 -6.438 -12.027 -20.099 70 HA GLN 19 HA GLN 19 -6.621 -10.106 -22.321 71 HB2 GLN 19 2HB GLN 19 -5.304 -12.610 -22.086 72 HB3 GLN 19 3HB GLN 19 -6.620 -12.816 -23.234 73 HG2 GLN 19 2HG GLN 19 -5.504 -10.441 -24.023 74 HG3 GLN 19 3HG GLN 19 -4.104 -11.378 -23.503 75 HE21 GLN 19 1HE2 GLN 19 -6.747 -11.174 -25.752 76 HE22 GLN 19 2HE2 GLN 19 -6.160 -12.360 -26.862 77 H CYS 20 H CYS 20 -8.459 -9.923 -23.491 78 HA CYS 20 HA CYS 20 -10.647 -11.804 -22.953 79 HB2 CYS 20 2HB CYS 20 -11.047 -8.813 -23.071 80 HB3 CYS 20 3HB CYS 20 -12.240 -10.036 -22.653 81 HG CYS 20 HG CYS 20 -11.375 -10.546 -20.169 82 H CYS 21 H CYS 21 -12.172 -12.025 -24.624 83 HA CYS 21 HA CYS 21 -11.132 -11.802 -27.233 84 HB2 CYS 21 2HB CYS 21 -13.299 -12.622 -27.982 85 HB3 CYS 21 3HB CYS 21 -12.778 -13.516 -26.559 86 HG CYS 21 HG CYS 21 -14.656 -12.710 -24.899 87 H GLU 22 H GLU 22 -12.929 -9.623 -25.268 88 HA GLU 22 HA GLU 22 -13.744 -7.987 -27.540 89 HB2 GLU 22 2HB GLU 22 -15.087 -8.485 -25.316 90 HB3 GLU 22 3HB GLU 22 -14.146 -7.130 -24.708 91 HG2 GLU 22 2HG GLU 22 -16.049 -6.088 -25.447 92 HG3 GLU 22 3HG GLU 22 -14.985 -5.920 -26.842 93 H GLY 23 H GLY 23 -11.264 -8.172 -25.153 94 HA2 GLY 23 2HA GLY 23 -9.594 -6.308 -26.355 95 HA3 GLY 23 3HA GLY 23 -10.494 -5.439 -25.121 96 H ARG 24 H ARG 24 -8.481 -5.051 -24.051 97 HA ARG 24 HA ARG 24 -7.575 -7.380 -22.493 98 HB2 ARG 24 2HB ARG 24 -6.045 -5.887 -24.322 99 HB3 ARG 24 3HB ARG 24 -5.516 -5.374 -22.726 100 HG2 ARG 24 2HG ARG 24 -4.685 -7.438 -22.183 101 HG3 ARG 24 3HG ARG 24 -5.775 -8.285 -23.282 102 HD2 ARG 24 2HD ARG 24 -4.028 -6.495 -24.722 103 HD3 ARG 24 3HD ARG 24 -3.103 -7.622 -23.730 104 HE ARG 24 HE ARG 24 -5.160 -8.920 -25.230 105 HH11 ARG 24 1HH1 ARG 24 -1.926 -7.643 -25.397 106 HH12 ARG 24 2HH1 ARG 24 -1.443 -8.682 -26.697 107 HH21 ARG 24 1HH2 ARG 24 -4.537 -10.293 -26.941 108 HH22 ARG 24 2HH2 ARG 24 -2.930 -10.188 -27.575 109 H PHE 25 H PHE 25 -7.013 -7.000 -20.339 110 HA PHE 25 HA PHE 25 -7.461 -4.310 -19.280 111 HB2 PHE 25 2HB PHE 25 -9.141 -6.690 -18.781 112 HB3 PHE 25 3HB PHE 25 -8.690 -5.767 -17.351 113 HD1 PHE 25 HD1 PHE 25 -8.975 -3.134 -17.661 114 HD2 PHE 25 HD2 PHE 25 -11.089 -6.119 -19.839 115 HE1 PHE 25 HE1 PHE 25 -10.762 -1.512 -18.143 116 HE2 PHE 25 HE2 PHE 25 -12.878 -4.502 -20.325 117 HZ PHE 25 HZ PHE 25 -12.716 -2.195 -19.477 118 H GLU 26 H GLU 26 -5.863 -3.772 -17.957 119 HA GLU 26 HA GLU 26 -4.396 -5.928 -16.583 120 HB2 GLU 26 2HB GLU 26 -2.397 -4.506 -16.701 121 HB3 GLU 26 3HB GLU 26 -3.022 -4.876 -18.302 122 HG2 GLU 26 2HG GLU 26 -3.050 -2.719 -18.762 123 HG3 GLU 26 3HG GLU 26 -4.254 -2.482 -17.497 124 H LEU 27 H LEU 27 -3.610 -5.499 -14.476 125 HA LEU 27 HA LEU 27 -4.287 -3.058 -13.123 126 HB2 LEU 27 2HB LEU 27 -6.212 -5.117 -13.192 127 HB3 LEU 27 3HB LEU 27 -5.521 -5.122 -11.571 128 HG LEU 27 HG LEU 27 -6.011 -2.528 -11.738 129 HD11 LEU 27 1HD1 LEU 27 -7.121 -1.936 -13.566 130 HD12 LEU 27 2HD1 LEU 27 -8.488 -2.874 -12.966 131 HD13 LEU 27 3HD1 LEU 27 -7.323 -3.616 -14.062 132 HD21 LEU 27 1HD2 LEU 27 -6.906 -4.102 -10.072 133 HD22 LEU 27 2HD2 LEU 27 -8.166 -4.572 -11.213 134 HD23 LEU 27 3HD2 LEU 27 -8.109 -2.921 -10.593 135 H SER 28 H SER 28 -3.700 -3.179 -10.773 136 HA SER 28 HA SER 28 -1.654 -5.228 -10.257 137 HB2 SER 28 2HB SER 28 -0.785 -2.861 -8.993 138 HB3 SER 28 3HB SER 28 -0.040 -3.678 -10.367 139 HG SER 28 HG SER 28 -1.681 -1.433 -10.300 140 H VAL 29 H VAL 29 -1.778 -6.144 -8.305 141 HA VAL 29 HA VAL 29 -3.015 -4.725 -6.083 142 HB VAL 29 HB VAL 29 -4.878 -5.914 -7.228 143 HG11 VAL 29 1HG1 VAL 29 -4.967 -8.221 -7.468 144 HG12 VAL 29 2HG1 VAL 29 -3.294 -7.849 -7.888 145 HG13 VAL 29 3HG1 VAL 29 -3.681 -8.494 -6.293 146 HG21 VAL 29 1HG2 VAL 29 -5.810 -6.898 -5.225 147 HG22 VAL 29 2HG2 VAL 29 -4.204 -7.036 -4.509 148 HG23 VAL 29 3HG2 VAL 29 -4.904 -5.445 -4.802 149 H ASP 30 H ASP 30 -2.529 -5.614 -4.036 150 HA ASP 30 HA ASP 30 0.000 -6.951 -3.928 151 HB2 ASP 30 2HB ASP 30 -1.926 -6.197 -1.720 152 HB3 ASP 30 3HB ASP 30 -0.283 -6.783 -1.472 153 H SER 31 H SER 31 0.476 -9.019 -3.339 154 HA SER 31 HA SER 31 -1.666 -10.949 -3.576 155 HB2 SER 31 2HB SER 31 0.747 -11.101 -4.560 156 HB3 SER 31 3HB SER 31 1.182 -11.671 -2.948 157 HG SER 31 HG SER 31 0.591 -13.522 -3.795 158 H ASN 32 H ASN 32 -2.600 -12.058 -1.971 159 HA ASN 32 HA ASN 32 -1.407 -12.720 0.483 160 HB2 ASN 32 2HB ASN 32 -2.593 -11.231 2.013 161 HB3 ASN 32 3HB ASN 32 -1.585 -10.296 0.911 162 HD21 ASN 32 1HD2 ASN 32 -2.730 -9.514 -1.079 163 HD22 ASN 32 2HD2 ASN 32 -4.338 -8.916 -0.872 164 H HIS 33 H HIS 33 -4.455 -11.893 -1.115 165 HA HIS 33 HA HIS 33 -5.855 -13.976 0.368 166 HB2 HIS 33 2HB HIS 33 -6.624 -11.586 -1.142 167 HB3 HIS 33 3HB HIS 33 -7.658 -12.977 -1.458 168 HD1 HIS 33 HD1 HIS 33 -7.690 -10.162 0.559 169 HD2 HIS 33 HD2 HIS 33 -8.255 -14.199 1.364 170 HE1 HIS 33 HE1 HIS 33 -8.968 -10.244 2.723 171 H THR 34 H THR 34 -7.452 -15.303 -1.027 172 HA THR 34 HA THR 34 -5.876 -16.861 -2.837 173 HB THR 34 HB THR 34 -7.751 -18.341 -2.995 174 HG1 THR 34 HG1 THR 34 -9.421 -16.622 -1.523 175 HG21 THR 34 1HG2 THR 34 -6.486 -18.174 -0.798 176 HG22 THR 34 2HG2 THR 34 -8.079 -18.928 -0.725 177 HG23 THR 34 3HG2 THR 34 -7.866 -17.263 -0.186 178 H LEU 35 H LEU 35 -7.093 -17.625 -4.937 179 HA LEU 35 HA LEU 35 -6.975 -15.585 -6.796 180 HB2 LEU 35 2HB LEU 35 -7.155 -18.229 -6.984 181 HB3 LEU 35 3HB LEU 35 -8.838 -17.836 -7.326 182 HG LEU 35 HG LEU 35 -7.596 -16.162 -9.042 183 HD11 LEU 35 1HD1 LEU 35 -5.590 -18.042 -8.213 184 HD12 LEU 35 2HD1 LEU 35 -5.453 -16.666 -9.307 185 HD13 LEU 35 3HD1 LEU 35 -5.948 -18.240 -9.929 186 HD21 LEU 35 1HD2 LEU 35 -7.963 -18.986 -9.912 187 HD22 LEU 35 2HD2 LEU 35 -8.477 -17.488 -10.688 188 HD23 LEU 35 3HD2 LEU 35 -9.354 -18.101 -9.286 189 H ARG 36 H ARG 36 -9.633 -16.584 -4.784 190 HA ARG 36 HA ARG 36 -11.810 -15.537 -6.127 191 HB2 ARG 36 2HB ARG 36 -11.177 -16.284 -3.391 192 HB3 ARG 36 3HB ARG 36 -12.289 -14.923 -3.453 193 HG2 ARG 36 2HG ARG 36 -13.343 -16.638 -5.312 194 HG3 ARG 36 3HG ARG 36 -12.730 -17.733 -4.070 195 HD2 ARG 36 2HD ARG 36 -14.440 -15.342 -3.433 196 HD3 ARG 36 3HD ARG 36 -15.120 -16.927 -3.797 197 HE ARG 36 HE ARG 36 -13.826 -16.114 -1.367 198 HH11 ARG 36 1HH1 ARG 36 -14.622 -18.817 -3.412 199 HH12 ARG 36 2HH1 ARG 36 -14.549 -19.978 -2.127 200 HH21 ARG 36 1HH2 ARG 36 -13.726 -17.633 0.332 201 HH22 ARG 36 2HH2 ARG 36 -14.041 -19.303 0.002 202 H ASP 37 H ASP 37 -9.286 -13.886 -4.374 203 HA ASP 37 HA ASP 37 -10.626 -11.366 -4.213 204 HB2 ASP 37 2HB ASP 37 -8.931 -11.675 -2.612 205 HB3 ASP 37 3HB ASP 37 -7.780 -12.255 -3.812 206 H VAL 38 H VAL 38 -8.114 -12.703 -6.340 207 HA VAL 38 HA VAL 38 -7.707 -10.430 -7.918 208 HB VAL 38 HB VAL 38 -7.500 -13.311 -8.806 209 HG11 VAL 38 1HG1 VAL 38 -6.443 -10.729 -9.917 210 HG12 VAL 38 2HG1 VAL 38 -5.702 -12.285 -10.300 211 HG13 VAL 38 3HG1 VAL 38 -7.385 -11.978 -10.732 212 HG21 VAL 38 1HG2 VAL 38 -4.979 -12.149 -8.201 213 HG22 VAL 38 2HG2 VAL 38 -6.044 -11.905 -6.817 214 HG23 VAL 38 3HG2 VAL 38 -5.764 -13.532 -7.439 215 H LEU 39 H LEU 39 -10.019 -13.088 -8.253 216 HA LEU 39 HA LEU 39 -11.082 -12.210 -10.740 217 HB2 LEU 39 2HB LEU 39 -11.718 -14.257 -8.725 218 HB3 LEU 39 3HB LEU 39 -13.090 -13.676 -9.666 219 HG LEU 39 HG LEU 39 -11.531 -14.202 -11.704 220 HD11 LEU 39 1HD1 LEU 39 -9.520 -14.738 -10.566 221 HD12 LEU 39 2HD1 LEU 39 -10.167 -16.250 -11.202 222 HD13 LEU 39 3HD1 LEU 39 -10.350 -15.863 -9.491 223 HD21 LEU 39 1HD2 LEU 39 -13.174 -15.664 -11.984 224 HD22 LEU 39 2HD2 LEU 39 -13.521 -15.646 -10.254 225 HD23 LEU 39 3HD2 LEU 39 -12.340 -16.783 -10.906 226 H ARG 40 H ARG 40 -11.903 -11.620 -7.373 227 HA ARG 40 HA ARG 40 -14.411 -10.443 -7.711 228 HB2 ARG 40 2HB ARG 40 -13.509 -11.054 -5.519 229 HB3 ARG 40 3HB ARG 40 -12.283 -9.802 -5.662 230 HG2 ARG 40 2HG ARG 40 -13.737 -8.126 -5.186 231 HG3 ARG 40 3HG ARG 40 -15.113 -8.966 -5.905 232 HD2 ARG 40 2HD ARG 40 -15.022 -10.558 -3.964 233 HD3 ARG 40 3HD ARG 40 -13.832 -9.484 -3.229 234 HE ARG 40 HE ARG 40 -16.224 -8.113 -3.983 235 HH11 ARG 40 1HH1 ARG 40 -14.769 -10.107 -1.528 236 HH12 ARG 40 2HH1 ARG 40 -15.798 -9.525 -0.261 237 HH21 ARG 40 1HH2 ARG 40 -17.584 -7.339 -2.324 238 HH22 ARG 40 2HH2 ARG 40 -17.399 -7.951 -0.716 239 H GLN 41 H GLN 41 -11.179 -8.978 -7.766 240 HA GLN 41 HA GLN 41 -12.158 -6.335 -8.235 241 HB2 GLN 41 2HB GLN 41 -9.774 -7.355 -7.400 242 HB3 GLN 41 3HB GLN 41 -9.399 -6.944 -9.068 243 HG2 GLN 41 2HG GLN 41 -9.427 -4.746 -8.665 244 HG3 GLN 41 3HG GLN 41 -10.836 -4.855 -7.611 245 HE21 GLN 41 1HE2 GLN 41 -7.681 -6.431 -7.374 246 HE22 GLN 41 2HE2 GLN 41 -7.262 -5.757 -5.839 247 H PHE 42 H PHE 42 -10.499 -8.720 -10.298 248 HA PHE 42 HA PHE 42 -10.509 -7.304 -12.671 249 HB2 PHE 42 2HB PHE 42 -9.279 -9.310 -12.653 250 HB3 PHE 42 3HB PHE 42 -10.655 -10.251 -12.086 251 HD1 PHE 42 HD1 PHE 42 -11.730 -11.590 -13.603 252 HD2 PHE 42 HD2 PHE 42 -9.685 -8.126 -14.996 253 HE1 PHE 42 HE1 PHE 42 -12.261 -12.214 -15.923 254 HE2 PHE 42 HE2 PHE 42 -10.214 -8.744 -17.318 255 HZ PHE 42 HZ PHE 42 -11.504 -10.789 -17.784 256 H LYS 43 H LYS 43 -13.025 -9.442 -11.371 257 HA LYS 43 HA LYS 43 -14.794 -9.089 -13.578 258 HB2 LYS 43 2HB LYS 43 -14.886 -11.061 -12.105 259 HB3 LYS 43 3HB LYS 43 -15.379 -10.033 -10.765 260 HG2 LYS 43 2HG LYS 43 -17.228 -9.431 -12.701 261 HG3 LYS 43 3HG LYS 43 -16.952 -11.159 -12.938 262 HD2 LYS 43 2HD LYS 43 -17.686 -11.698 -10.804 263 HD3 LYS 43 3HD LYS 43 -17.401 -10.069 -10.187 264 HE2 LYS 43 2HE LYS 43 -19.277 -9.237 -11.512 265 HE3 LYS 43 3HE LYS 43 -19.552 -10.856 -12.151 266 HZ1 LYS 43 1HZ LYS 43 -20.612 -9.760 -9.844 267 HZ2 LYS 43 2HZ LYS 43 -19.496 -10.920 -9.325 268 HZ3 LYS 43 3HZ LYS 43 -20.748 -11.361 -10.374 269 H ARG 44 H ARG 44 -14.245 -7.406 -10.574 270 HA ARG 44 HA ARG 44 -16.681 -5.963 -10.493 271 HB2 ARG 44 2HB ARG 44 -14.072 -5.858 -9.119 272 HB3 ARG 44 3HB ARG 44 -14.938 -4.329 -9.195 273 HG2 ARG 44 2HG ARG 44 -16.769 -5.183 -7.998 274 HG3 ARG 44 3HG ARG 44 -16.237 -6.851 -8.220 275 HD2 ARG 44 2HD ARG 44 -15.578 -6.470 -6.054 276 HD3 ARG 44 3HD ARG 44 -14.115 -6.025 -6.931 277 HE ARG 44 HE ARG 44 -14.392 -3.875 -6.214 278 HH11 ARG 44 1HH1 ARG 44 -17.401 -5.585 -5.837 279 HH12 ARG 44 2HH1 ARG 44 -18.182 -4.289 -4.993 280 HH21 ARG 44 1HH2 ARG 44 -15.410 -2.162 -5.103 281 HH22 ARG 44 2HH2 ARG 44 -17.049 -2.342 -4.577 282 H GLU 45 H GLU 45 -13.755 -5.580 -12.297 283 HA GLU 45 HA GLU 45 -14.528 -2.876 -13.129 284 HB2 GLU 45 2HB GLU 45 -11.970 -4.433 -13.537 285 HB3 GLU 45 3HB GLU 45 -12.268 -2.834 -14.204 286 HG2 GLU 45 2HG GLU 45 -12.238 -3.525 -11.275 287 HG3 GLU 45 3HG GLU 45 -10.925 -2.756 -12.164 288 H VAL 46 H VAL 46 -13.572 -6.008 -14.518 289 HA VAL 46 HA VAL 46 -13.961 -5.415 -17.202 290 HB VAL 46 HB VAL 46 -13.081 -7.591 -16.009 291 HG11 VAL 46 1HG1 VAL 46 -14.578 -9.375 -15.827 292 HG12 VAL 46 2HG1 VAL 46 -15.457 -8.011 -15.134 293 HG13 VAL 46 3HG1 VAL 46 -15.817 -8.552 -16.774 294 HG21 VAL 46 1HG2 VAL 46 -13.582 -8.851 -18.165 295 HG22 VAL 46 2HG2 VAL 46 -14.465 -7.412 -18.672 296 HG23 VAL 46 3HG2 VAL 46 -12.740 -7.309 -18.320 297 H ALA 47 H ALA 47 -16.282 -5.965 -14.693 298 HA ALA 47 HA ALA 47 -18.508 -6.711 -16.236 299 HB1 ALA 47 1HB ALA 47 -18.067 -5.631 -13.525 300 HB2 ALA 47 2HB ALA 47 -19.677 -5.398 -14.207 301 HB3 ALA 47 3HB ALA 47 -19.010 -7.024 -14.056 302 H ALA 48 H ALA 48 -16.856 -3.727 -15.966 303 HA ALA 48 HA ALA 48 -18.904 -1.884 -16.447 304 HB1 ALA 48 1HB ALA 48 -16.810 -1.026 -15.800 305 HB2 ALA 48 2HB ALA 48 -15.974 -1.851 -17.116 306 HB3 ALA 48 3HB ALA 48 -17.041 -0.491 -17.465 307 H LEU 49 H LEU 49 -17.059 -3.920 -18.650 308 HA LEU 49 HA LEU 49 -18.713 -2.928 -20.876 309 HB2 LEU 49 2HB LEU 49 -16.181 -4.468 -21.264 310 HB3 LEU 49 3HB LEU 49 -16.980 -3.344 -22.362 311 HG LEU 49 HG LEU 49 -15.369 -2.657 -19.907 312 HD11 LEU 49 1HD1 LEU 49 -13.936 -1.504 -21.542 313 HD12 LEU 49 2HD1 LEU 49 -14.937 -2.142 -22.846 314 HD13 LEU 49 3HD1 LEU 49 -14.015 -3.244 -21.823 315 HD21 LEU 49 1HD2 LEU 49 -17.401 -1.144 -21.374 316 HD22 LEU 49 2HD2 LEU 49 -15.859 -0.306 -21.199 317 HD23 LEU 49 3HD2 LEU 49 -16.721 -0.876 -19.769 318 H ASP 50 H ASP 50 -17.804 -5.671 -18.997 319 HA ASP 50 HA ASP 50 -19.127 -7.507 -20.860 320 HB2 ASP 50 2HB ASP 50 -16.853 -7.772 -19.254 321 HB3 ASP 50 3HB ASP 50 -18.084 -8.745 -18.454 322 HA PRO 51 HA PRO 51 -22.679 -6.888 -18.141 323 HB2 PRO 51 2HB PRO 51 -24.459 -8.009 -19.857 324 HB3 PRO 51 3HB PRO 51 -23.888 -6.343 -20.017 325 HG2 PRO 51 2HG PRO 51 -22.989 -8.801 -21.470 326 HG3 PRO 51 3HG PRO 51 -23.300 -7.175 -22.107 327 HD2 PRO 51 2HD PRO 51 -20.803 -8.082 -21.583 328 HD3 PRO 51 3HD PRO 51 -21.255 -6.374 -21.409 329 H ILE 52 H ILE 52 -21.524 -9.806 -19.693 330 HA ILE 52 HA ILE 52 -23.222 -11.649 -18.388 331 HB ILE 52 HB ILE 52 -21.379 -13.312 -18.909 332 HG12 ILE 52 2HG1 ILE 52 -20.181 -10.996 -20.432 333 HG13 ILE 52 3HG1 ILE 52 -19.578 -11.525 -18.865 334 HG21 ILE 52 1HG2 ILE 52 -21.854 -13.309 -21.283 335 HG22 ILE 52 2HG2 ILE 52 -23.306 -12.883 -20.379 336 HG23 ILE 52 3HG2 ILE 52 -22.379 -11.628 -21.201 337 HD11 ILE 52 1HD1 ILE 52 -19.319 -12.778 -21.522 338 HD12 ILE 52 2HD1 ILE 52 -18.181 -12.712 -20.176 339 HD13 ILE 52 3HD1 ILE 52 -19.519 -13.860 -20.145 340 H ASN 53 H ASN 53 -22.891 -12.940 -16.576 341 HA ASN 53 HA ASN 53 -21.340 -11.706 -14.482 342 HB2 ASN 53 2HB ASN 53 -23.527 -13.626 -14.667 343 HB3 ASN 53 3HB ASN 53 -22.322 -14.099 -13.472 344 HD21 ASN 53 1HD2 ASN 53 -24.104 -13.748 -11.978 345 HD22 ASN 53 2HD2 ASN 53 -24.396 -12.151 -11.387 346 H LEU 54 H LEU 54 -19.855 -12.928 -13.112 347 HA LEU 54 HA LEU 54 -17.804 -14.151 -14.593 348 HB2 LEU 54 2HB LEU 54 -16.657 -14.393 -12.570 349 HB3 LEU 54 3HB LEU 54 -17.641 -12.945 -12.367 350 HG LEU 54 HG LEU 54 -18.473 -15.638 -11.311 351 HD11 LEU 54 1HD1 LEU 54 -17.024 -13.462 -9.812 352 HD12 LEU 54 2HD1 LEU 54 -16.293 -14.972 -10.354 353 HD13 LEU 54 3HD1 LEU 54 -17.594 -15.001 -9.164 354 HD21 LEU 54 1HD2 LEU 54 -19.587 -13.807 -9.703 355 HD22 LEU 54 2HD2 LEU 54 -20.368 -14.412 -11.165 356 HD23 LEU 54 3HD2 LEU 54 -19.506 -12.872 -11.197 357 H GLU 55 H GLU 55 -20.509 -15.462 -12.796 358 HA GLU 55 HA GLU 55 -19.570 -18.172 -12.876 359 HB2 GLU 55 2HB GLU 55 -22.068 -16.796 -12.004 360 HB3 GLU 55 3HB GLU 55 -22.148 -18.519 -12.341 361 HG2 GLU 55 2HG GLU 55 -19.922 -17.639 -10.623 362 HG3 GLU 55 3HG GLU 55 -21.541 -17.495 -9.941 363 H GLU 56 H GLU 56 -20.914 -16.111 -15.156 364 HA GLU 56 HA GLU 56 -22.362 -18.137 -16.632 365 HB2 GLU 56 2HB GLU 56 -21.643 -15.312 -17.432 366 HB3 GLU 56 3HB GLU 56 -22.783 -16.364 -18.259 367 HG2 GLU 56 2HG GLU 56 -23.105 -15.438 -15.416 368 HG3 GLU 56 3HG GLU 56 -23.828 -14.636 -16.809 369 H TYR 57 H TYR 57 -19.222 -16.621 -16.666 370 HA TYR 57 HA TYR 57 -18.475 -18.328 -18.949 371 HB2 TYR 57 2HB TYR 57 -16.885 -16.620 -19.658 372 HB3 TYR 57 3HB TYR 57 -18.509 -15.945 -19.587 373 HD1 TYR 57 HD1 TYR 57 -19.005 -14.107 -18.180 374 HD2 TYR 57 HD2 TYR 57 -15.261 -16.095 -17.817 375 HE1 TYR 57 HE1 TYR 57 -18.195 -12.302 -16.720 376 HE2 TYR 57 HE2 TYR 57 -14.441 -14.296 -16.355 377 HH TYR 57 HH TYR 57 -15.903 -11.338 -16.083 378 H VAL 58 H VAL 58 -16.033 -18.677 -19.022 379 HA VAL 58 HA VAL 58 -15.024 -19.102 -16.284 380 HB VAL 58 HB VAL 58 -13.747 -21.054 -17.288 381 HG11 VAL 58 1HG1 VAL 58 -16.733 -21.035 -16.979 382 HG12 VAL 58 2HG1 VAL 58 -15.843 -22.524 -17.300 383 HG13 VAL 58 3HG1 VAL 58 -15.507 -21.592 -15.841 384 HG21 VAL 58 1HG2 VAL 58 -15.795 -21.346 -19.379 385 HG22 VAL 58 2HG2 VAL 58 -14.595 -20.087 -19.671 386 HG23 VAL 58 3HG2 VAL 58 -14.079 -21.752 -19.405 387 H VAL 59 H VAL 59 -12.821 -18.806 -15.913 388 HA VAL 59 HA VAL 59 -11.289 -17.586 -18.112 389 HB VAL 59 HB VAL 59 -10.255 -16.069 -16.373 390 HG11 VAL 59 1HG1 VAL 59 -12.340 -14.563 -16.310 391 HG12 VAL 59 2HG1 VAL 59 -11.686 -15.020 -17.884 392 HG13 VAL 59 3HG1 VAL 59 -13.113 -15.840 -17.249 393 HG21 VAL 59 1HG2 VAL 59 -11.564 -15.627 -14.352 394 HG22 VAL 59 2HG2 VAL 59 -12.661 -16.941 -14.773 395 HG23 VAL 59 3HG2 VAL 59 -10.976 -17.289 -14.387 396 H ASN 60 H ASN 60 -9.220 -18.243 -18.306 397 HA ASN 60 HA ASN 60 -8.285 -20.270 -16.410 398 HB2 ASN 60 2HB ASN 60 -6.738 -20.961 -18.152 399 HB3 ASN 60 3HB ASN 60 -8.365 -20.859 -18.818 400 HD21 ASN 60 1HD2 ASN 60 -5.228 -19.334 -18.675 401 HD22 ASN 60 2HD2 ASN 60 -5.417 -18.370 -20.097 402 H HIS 61 H HIS 61 -6.471 -20.044 -15.211 403 HA HIS 61 HA HIS 61 -5.067 -17.462 -15.407 404 HB2 HIS 61 2HB HIS 61 -5.790 -19.206 -13.082 405 HB3 HIS 61 3HB HIS 61 -4.380 -18.157 -12.968 406 HD1 HIS 61 HD1 HIS 61 -7.630 -17.226 -14.655 407 HD2 HIS 61 HD2 HIS 61 -5.423 -16.275 -11.267 408 HE1 HIS 61 HE1 HIS 61 -8.789 -15.241 -13.633 409 H GLU 62 H GLU 62 -3.148 -17.624 -16.348 410 HA GLU 62 HA GLU 62 -1.110 -18.398 -16.999 411 HB2 GLU 62 2HB GLU 62 -1.389 -19.554 -14.246 412 HB3 GLU 62 3HB GLU 62 0.009 -19.959 -15.231 413 HG2 GLU 62 2HG GLU 62 -0.553 -17.100 -15.133 414 HG3 GLU 62 3HG GLU 62 -0.200 -17.809 -13.558 415 H GLY 63 H GLY 63 -3.463 -19.838 -17.867 416 HA2 GLY 63 2HA GLY 63 -3.737 -21.647 -19.297 417 HA3 GLY 63 3HA GLY 63 -2.138 -22.214 -18.837 418 H LYS 64 H LYS 64 -4.082 -21.504 -16.164 419 HA LYS 64 HA LYS 64 -4.874 -24.331 -15.909 420 HB2 LYS 64 2HB LYS 64 -3.247 -22.653 -14.141 421 HB3 LYS 64 3HB LYS 64 -4.570 -23.464 -13.314 422 HG2 LYS 64 2HG LYS 64 -3.746 -25.578 -13.798 423 HG3 LYS 64 3HG LYS 64 -2.740 -24.989 -15.124 424 HD2 LYS 64 2HD LYS 64 -1.480 -23.673 -13.310 425 HD3 LYS 64 3HD LYS 64 -2.290 -24.746 -12.166 426 HE2 LYS 64 2HE LYS 64 -1.301 -26.678 -13.191 427 HE3 LYS 64 3HE LYS 64 -0.632 -25.699 -14.496 428 HZ1 LYS 64 1HZ LYS 64 0.235 -25.896 -11.693 429 HZ2 LYS 64 2HZ LYS 64 0.540 -24.474 -12.557 430 HZ3 LYS 64 3HZ LYS 64 1.162 -25.947 -13.108 431 H LEU 65 H LEU 65 -6.974 -24.639 -15.585 432 HA LEU 65 HA LEU 65 -8.638 -22.333 -14.884 433 HB2 LEU 65 2HB LEU 65 -9.044 -24.832 -16.410 434 HB3 LEU 65 3HB LEU 65 -10.426 -24.235 -15.494 435 HG LEU 65 HG LEU 65 -9.304 -22.073 -16.984 436 HD11 LEU 65 1HD1 LEU 65 -8.348 -23.598 -18.527 437 HD12 LEU 65 2HD1 LEU 65 -9.832 -22.993 -19.262 438 HD13 LEU 65 3HD1 LEU 65 -9.798 -24.601 -18.538 439 HD21 LEU 65 1HD2 LEU 65 -11.890 -23.561 -17.401 440 HD22 LEU 65 2HD2 LEU 65 -11.531 -21.890 -17.835 441 HD23 LEU 65 3HD2 LEU 65 -11.633 -22.359 -16.137 442 H LEU 66 H LEU 66 -9.165 -22.111 -12.820 443 HA LEU 66 HA LEU 66 -9.144 -24.412 -11.041 444 HB2 LEU 66 2HB LEU 66 -9.088 -21.470 -10.730 445 HB3 LEU 66 3HB LEU 66 -9.848 -22.390 -9.433 446 HG LEU 66 HG LEU 66 -7.465 -21.837 -9.018 447 HD11 LEU 66 1HD1 LEU 66 -6.830 -24.386 -8.697 448 HD12 LEU 66 2HD1 LEU 66 -8.538 -24.603 -9.076 449 HD13 LEU 66 3HD1 LEU 66 -8.061 -23.600 -7.707 450 HD21 LEU 66 1HD2 LEU 66 -6.521 -23.928 -10.855 451 HD22 LEU 66 2HD2 LEU 66 -5.785 -22.389 -10.407 452 HD23 LEU 66 3HD2 LEU 66 -7.059 -22.436 -11.626 453 H LEU 67 H LEU 67 -10.914 -24.871 -9.600 454 HA LEU 67 HA LEU 67 -13.530 -24.085 -10.706 455 HB2 LEU 67 2HB LEU 67 -12.856 -26.697 -9.364 456 HB3 LEU 67 3HB LEU 67 -14.384 -26.260 -10.126 457 HG LEU 67 HG LEU 67 -12.547 -25.979 -12.169 458 HD11 LEU 67 1HD1 LEU 67 -11.630 -28.021 -10.237 459 HD12 LEU 67 2HD1 LEU 67 -10.715 -27.063 -11.400 460 HD13 LEU 67 3HD1 LEU 67 -11.623 -28.474 -11.941 461 HD21 LEU 67 1HD2 LEU 67 -13.835 -27.545 -13.209 462 HD22 LEU 67 2HD2 LEU 67 -14.904 -27.144 -11.864 463 HD23 LEU 67 3HD2 LEU 67 -13.902 -28.595 -11.793 464 H ASP 68 H ASP 68 -11.502 -24.041 -8.021 465 HA ASP 68 HA ASP 68 -13.776 -23.530 -6.216 466 HB2 ASP 68 2HB ASP 68 -11.713 -23.895 -4.503 467 HB3 ASP 68 3HB ASP 68 -12.779 -25.192 -5.036 468 H ASP 69 H ASP 69 -10.875 -22.291 -7.614 469 HA ASP 69 HA ASP 69 -9.825 -20.274 -7.507 470 HB2 ASP 69 2HB ASP 69 -12.298 -19.057 -6.328 471 HB3 ASP 69 3HB ASP 69 -11.192 -18.392 -7.528 472 H SER 70 H SER 70 -9.914 -22.048 -5.103 473 HA SER 70 HA SER 70 -9.707 -20.140 -2.907 474 HB2 SER 70 2HB SER 70 -10.080 -23.051 -3.148 475 HB3 SER 70 3HB SER 70 -9.016 -22.558 -1.831 476 HG SER 70 HG SER 70 -11.556 -22.613 -1.694 477 H VAL 71 H VAL 71 -7.708 -21.928 -5.078 478 HA VAL 71 HA VAL 71 -5.328 -22.080 -3.612 479 HB VAL 71 HB VAL 71 -4.177 -22.200 -5.793 480 HG11 VAL 71 1HG1 VAL 71 -5.196 -24.202 -4.856 481 HG12 VAL 71 2HG1 VAL 71 -6.727 -23.805 -5.639 482 HG13 VAL 71 3HG1 VAL 71 -5.314 -24.210 -6.615 483 HG21 VAL 71 1HG2 VAL 71 -5.336 -20.617 -7.113 484 HG22 VAL 71 2HG2 VAL 71 -5.658 -22.189 -7.844 485 HG23 VAL 71 3HG2 VAL 71 -6.885 -21.414 -6.843 486 H THR 72 H THR 72 -3.752 -20.661 -3.137 487 HA THR 72 HA THR 72 -4.259 -17.867 -3.449 488 HB THR 72 HB THR 72 -2.387 -17.480 -2.097 489 HG1 THR 72 HG1 THR 72 -0.852 -19.371 -1.806 490 HG21 THR 72 1HG2 THR 72 -4.261 -19.192 -1.237 491 HG22 THR 72 2HG2 THR 72 -2.911 -18.669 -0.231 492 HG23 THR 72 3HG2 THR 72 -2.839 -20.219 -1.067 493 H LEU 73 H LEU 73 -1.910 -16.654 -3.947 494 HA LEU 73 HA LEU 73 -1.723 -16.773 -6.776 495 HB2 LEU 73 2HB LEU 73 -0.674 -15.131 -4.620 496 HB3 LEU 73 3HB LEU 73 0.499 -15.372 -5.913 497 HG LEU 73 HG LEU 73 -1.650 -14.672 -7.372 498 HD11 LEU 73 1HD1 LEU 73 -2.565 -14.218 -4.813 499 HD12 LEU 73 2HD1 LEU 73 -3.219 -13.517 -6.293 500 HD13 LEU 73 3HD1 LEU 73 -2.030 -12.624 -5.346 501 HD21 LEU 73 1HD2 LEU 73 0.111 -13.387 -7.911 502 HD22 LEU 73 2HD2 LEU 73 0.672 -13.274 -6.243 503 HD23 LEU 73 3HD2 LEU 73 -0.625 -12.222 -6.811 504 H GLN 74 H GLN 74 0.592 -17.601 -4.199 505 HA GLN 74 HA GLN 74 2.503 -18.690 -6.024 506 HB2 GLN 74 2HB GLN 74 2.890 -17.726 -3.653 507 HB3 GLN 74 3HB GLN 74 2.412 -19.321 -3.087 508 HG2 GLN 74 2HG GLN 74 4.222 -20.325 -4.382 509 HG3 GLN 74 3HG GLN 74 4.701 -18.726 -4.949 510 HE21 GLN 74 1HE2 GLN 74 4.487 -20.835 -2.170 511 HE22 GLN 74 2HE2 GLN 74 5.636 -19.988 -1.196 512 H THR 75 H THR 75 -0.179 -19.953 -4.191 513 HA THR 75 HA THR 75 0.440 -22.673 -4.188 514 HB THR 75 HB THR 75 -2.278 -21.361 -4.384 515 HG1 THR 75 HG1 THR 75 -0.606 -22.142 -2.232 516 HG21 THR 75 1HG2 THR 75 -1.482 -24.199 -3.740 517 HG22 THR 75 2HG2 THR 75 -2.519 -23.645 -5.054 518 HG23 THR 75 3HG2 THR 75 -3.071 -23.523 -3.383 519 H VAL 76 H VAL 76 -1.525 -20.851 -6.544 520 HA VAL 76 HA VAL 76 -1.830 -23.042 -8.323 521 HB VAL 76 HB VAL 76 -3.399 -21.168 -8.331 522 HG11 VAL 76 1HG1 VAL 76 -1.572 -19.451 -7.899 523 HG12 VAL 76 2HG1 VAL 76 -1.278 -19.489 -9.639 524 HG13 VAL 76 3HG1 VAL 76 -2.852 -18.988 -9.020 525 HG21 VAL 76 1HG2 VAL 76 -1.902 -21.493 -10.930 526 HG22 VAL 76 2HG2 VAL 76 -3.218 -22.510 -10.344 527 HG23 VAL 76 3HG2 VAL 76 -3.526 -20.826 -10.768 528 H GLY 77 H GLY 77 0.642 -20.655 -7.863 529 HA2 GLY 77 2HA GLY 77 2.837 -20.865 -8.694 530 HA3 GLY 77 3HA GLY 77 2.238 -21.951 -9.939 531 H VAL 78 H VAL 78 0.826 -18.822 -9.200 532 HA VAL 78 HA VAL 78 0.916 -17.996 -11.911 533 HB VAL 78 HB VAL 78 -0.785 -17.221 -10.258 534 HG11 VAL 78 1HG1 VAL 78 0.933 -15.051 -9.282 535 HG12 VAL 78 2HG1 VAL 78 -0.295 -15.996 -8.439 536 HG13 VAL 78 3HG1 VAL 78 1.329 -16.650 -8.653 537 HG21 VAL 78 1HG2 VAL 78 0.649 -15.610 -12.206 538 HG22 VAL 78 2HG2 VAL 78 -1.086 -15.796 -11.951 539 HG23 VAL 78 3HG2 VAL 78 -0.174 -14.631 -10.991 540 H LYS 79 H LYS 79 2.327 -16.747 -13.003 541 HA LYS 79 HA LYS 79 4.925 -16.306 -11.862 542 HB2 LYS 79 2HB LYS 79 3.748 -16.367 -14.503 543 HB3 LYS 79 3HB LYS 79 4.790 -14.962 -14.319 544 HG2 LYS 79 2HG LYS 79 6.450 -16.744 -13.319 545 HG3 LYS 79 3HG LYS 79 5.473 -17.853 -14.286 546 HD2 LYS 79 2HD LYS 79 5.854 -16.019 -16.144 547 HD3 LYS 79 3HD LYS 79 7.265 -15.637 -15.155 548 HE2 LYS 79 2HE LYS 79 7.063 -18.473 -15.483 549 HE3 LYS 79 3HE LYS 79 6.980 -17.693 -17.062 550 HZ1 LYS 79 1HZ LYS 79 8.999 -16.370 -16.185 551 HZ2 LYS 79 2HZ LYS 79 9.230 -17.948 -16.749 552 HZ3 LYS 79 3HZ LYS 79 9.160 -17.646 -15.086 553 H LYS 80 H LYS 80 6.035 -14.180 -12.071 554 HA LYS 80 HA LYS 80 4.840 -12.221 -10.540 555 HB2 LYS 80 2HB LYS 80 7.268 -12.379 -10.979 556 HB3 LYS 80 3HB LYS 80 6.996 -11.818 -12.623 557 HG2 LYS 80 2HG LYS 80 6.235 -9.681 -11.823 558 HG3 LYS 80 3HG LYS 80 6.328 -10.236 -10.149 559 HD2 LYS 80 2HD LYS 80 8.853 -10.740 -11.230 560 HD3 LYS 80 3HD LYS 80 8.397 -9.149 -11.845 561 HE2 LYS 80 2HE LYS 80 9.297 -8.496 -9.866 562 HE3 LYS 80 3HE LYS 80 7.658 -8.826 -9.307 563 HZ1 LYS 80 1HZ LYS 80 10.122 -10.216 -8.720 564 HZ2 LYS 80 2HZ LYS 80 8.819 -11.234 -9.075 565 HZ3 LYS 80 3HZ LYS 80 8.695 -10.111 -7.816 566 H ASP 81 H ASP 81 4.747 -12.671 -14.014 567 HA ASP 81 HA ASP 81 3.547 -10.126 -14.566 568 HB2 ASP 81 2HB ASP 81 4.228 -12.564 -16.133 569 HB3 ASP 81 3HB ASP 81 2.985 -11.501 -16.787 570 H SER 82 H SER 82 2.398 -13.389 -13.973 571 HA SER 82 HA SER 82 0.311 -14.276 -13.744 572 HB2 SER 82 2HB SER 82 -0.757 -11.604 -12.930 573 HB3 SER 82 3HB SER 82 -1.033 -13.190 -12.208 574 HG SER 82 HG SER 82 0.345 -12.336 -10.809 575 H VAL 83 H VAL 83 -0.096 -14.652 -15.940 576 HA VAL 83 HA VAL 83 -1.815 -12.658 -17.265 577 HB VAL 83 HB VAL 83 0.183 -13.052 -18.555 578 HG11 VAL 83 1HG1 VAL 83 -0.141 -15.770 -19.350 579 HG12 VAL 83 2HG1 VAL 83 1.235 -15.006 -18.552 580 HG13 VAL 83 3HG1 VAL 83 -0.073 -15.696 -17.590 581 HG21 VAL 83 1HG2 VAL 83 -1.890 -12.745 -19.799 582 HG22 VAL 83 2HG2 VAL 83 -0.800 -13.833 -20.659 583 HG23 VAL 83 3HG2 VAL 83 -2.177 -14.485 -19.771 584 H PHE 84 H PHE 84 -3.893 -13.156 -17.377 585 HA PHE 84 HA PHE 84 -4.661 -15.995 -17.517 586 HB2 PHE 84 2HB PHE 84 -6.650 -14.233 -16.283 587 HB3 PHE 84 3HB PHE 84 -6.080 -15.819 -15.774 588 HD1 PHE 84 HD1 PHE 84 -5.717 -12.229 -15.392 589 HD2 PHE 84 HD2 PHE 84 -4.097 -16.023 -14.344 590 HE1 PHE 84 HE1 PHE 84 -4.440 -11.177 -13.571 591 HE2 PHE 84 HE2 PHE 84 -2.818 -14.977 -12.521 592 HZ PHE 84 HZ PHE 84 -2.989 -12.551 -12.132 593 H VAL 85 H VAL 85 -6.164 -16.534 -19.010 594 HA VAL 85 HA VAL 85 -7.226 -14.344 -20.671 595 HB VAL 85 HB VAL 85 -6.714 -17.222 -21.436 596 HG11 VAL 85 1HG1 VAL 85 -8.626 -16.377 -22.631 597 HG12 VAL 85 2HG1 VAL 85 -7.757 -14.901 -23.053 598 HG13 VAL 85 3HG1 VAL 85 -7.248 -16.449 -23.728 599 HG21 VAL 85 1HG2 VAL 85 -4.689 -15.803 -21.134 600 HG22 VAL 85 2HG2 VAL 85 -4.909 -16.395 -22.780 601 HG23 VAL 85 3HG2 VAL 85 -5.315 -14.725 -22.382 602 H LEU 86 H LEU 86 -9.378 -14.327 -21.259 603 HA LEU 86 HA LEU 86 -11.124 -15.994 -19.603 604 HB2 LEU 86 2HB LEU 86 -11.557 -13.677 -19.360 605 HB3 LEU 86 3HB LEU 86 -11.556 -13.425 -21.104 606 HG LEU 86 HG LEU 86 -13.627 -15.229 -19.971 607 HD11 LEU 86 1HD1 LEU 86 -15.048 -13.457 -19.285 608 HD12 LEU 86 2HD1 LEU 86 -13.910 -12.236 -19.852 609 HD13 LEU 86 3HD1 LEU 86 -13.508 -13.233 -18.454 610 HD21 LEU 86 1HD2 LEU 86 -13.189 -13.528 -22.340 611 HD22 LEU 86 2HD2 LEU 86 -14.842 -13.595 -21.730 612 HD23 LEU 86 3HD2 LEU 86 -14.010 -15.081 -22.191 613 H VAL 87 H VAL 87 -12.518 -17.450 -20.425 614 HA VAL 87 HA VAL 87 -12.841 -17.570 -23.348 615 HB VAL 87 HB VAL 87 -12.674 -19.984 -23.324 616 HG11 VAL 87 1HG1 VAL 87 -10.266 -19.067 -21.798 617 HG12 VAL 87 2HG1 VAL 87 -10.363 -20.162 -23.179 618 HG13 VAL 87 3HG1 VAL 87 -10.609 -18.430 -23.406 619 HG21 VAL 87 1HG2 VAL 87 -12.575 -19.581 -20.379 620 HG22 VAL 87 2HG2 VAL 87 -13.422 -20.806 -21.324 621 HG23 VAL 87 3HG2 VAL 87 -11.682 -20.936 -21.070 622 H ARG 88 H ARG 88 -14.745 -18.764 -24.055 623 HA ARG 88 HA ARG 88 -16.943 -18.462 -22.132 624 HB2 ARG 88 2HB ARG 88 -16.679 -17.571 -24.740 625 HB3 ARG 88 3HB ARG 88 -17.697 -18.995 -24.901 626 HG2 ARG 88 2HG ARG 88 -19.330 -18.090 -23.424 627 HG3 ARG 88 3HG ARG 88 -18.266 -16.756 -22.977 628 HD2 ARG 88 2HD ARG 88 -19.850 -15.893 -24.522 629 HD3 ARG 88 3HD ARG 88 -18.318 -16.040 -25.382 630 HE ARG 88 HE ARG 88 -19.638 -18.387 -25.878 631 HH11 ARG 88 1HH1 ARG 88 -20.314 -15.004 -26.344 632 HH12 ARG 88 2HH1 ARG 88 -21.301 -15.260 -27.744 633 HH21 ARG 88 1HH2 ARG 88 -20.936 -18.737 -27.721 634 HH22 ARG 88 2HH2 ARG 88 -21.655 -17.384 -28.526 635 H LYS 89 H LYS 89 -18.217 -20.139 -21.551 636 HA LYS 89 HA LYS 89 -17.290 -22.798 -22.165 637 HB2 LYS 89 2HB LYS 89 -17.971 -22.316 -19.898 638 HB3 LYS 89 3HB LYS 89 -19.559 -21.790 -20.443 639 HG2 LYS 89 2HG LYS 89 -20.145 -24.023 -21.087 640 HG3 LYS 89 3HG LYS 89 -18.507 -24.593 -20.756 641 HD2 LYS 89 2HD LYS 89 -18.846 -23.893 -18.371 642 HD3 LYS 89 3HD LYS 89 -20.538 -23.584 -18.769 643 HE2 LYS 89 2HE LYS 89 -21.052 -25.778 -18.840 644 HE3 LYS 89 3HE LYS 89 -19.517 -26.219 -19.587 645 HZ1 LYS 89 1HZ LYS 89 -20.274 -26.481 -16.909 646 HZ2 LYS 89 2HZ LYS 89 -19.011 -25.358 -16.973 647 HZ3 LYS 89 3HZ LYS 89 -18.800 -26.904 -17.625 648 H ALA 90 H ALA 90 -20.029 -20.768 -22.991 649 HA ALA 90 HA ALA 90 -20.805 -22.741 -25.018 650 HB1 ALA 90 1HB ALA 90 -23.133 -21.403 -23.960 651 HB2 ALA 90 2HB ALA 90 -22.822 -23.127 -24.167 652 HB3 ALA 90 3HB ALA 90 -22.285 -22.303 -22.703 Start of MODEL 7 1 H1 MET 10 H MET 10 10.583 -3.746 -0.027 2 HA MET 10 HA MET 10 9.676 -1.497 -1.700 3 HB2 MET 10 2HB MET 10 11.033 -3.642 -2.606 4 HB3 MET 10 3HB MET 10 9.391 -4.262 -2.725 5 HG2 MET 10 2HG MET 10 9.024 -3.104 -4.571 6 HG3 MET 10 3HG MET 10 9.514 -1.604 -3.788 7 HE1 MET 10 1HE MET 10 9.603 -3.105 -6.587 8 HE2 MET 10 2HE MET 10 10.623 -1.774 -7.134 9 HE3 MET 10 3HE MET 10 11.213 -3.435 -7.229 10 H SER 11 H SER 11 7.478 -1.566 -2.451 11 HA SER 11 HA SER 11 5.631 -2.224 -0.426 12 HB2 SER 11 2HB SER 11 5.396 -0.435 -2.231 13 HB3 SER 11 3HB SER 11 4.915 -1.737 -3.318 14 HG SER 11 HG SER 11 3.592 -0.715 -1.062 15 H GLU 12 H GLU 12 3.488 -3.432 -1.275 16 HA GLU 12 HA GLU 12 4.396 -6.098 -2.142 17 HB2 GLU 12 2HB GLU 12 3.401 -5.674 0.239 18 HB3 GLU 12 3HB GLU 12 1.860 -5.656 -0.607 19 HG2 GLU 12 2HG GLU 12 2.379 -7.900 -1.509 20 HG3 GLU 12 3HG GLU 12 3.848 -7.913 -0.535 21 H THR 13 H THR 13 3.883 -4.379 -4.149 22 HA THR 13 HA THR 13 1.121 -4.764 -5.012 23 HB THR 13 HB THR 13 2.266 -3.480 -7.099 24 HG1 THR 13 HG1 THR 13 3.705 -1.906 -6.093 25 HG21 THR 13 1HG2 THR 13 1.000 -1.710 -6.441 26 HG22 THR 13 2HG2 THR 13 1.628 -1.735 -4.793 27 HG23 THR 13 3HG2 THR 13 0.386 -2.887 -5.281 28 H ILE 14 H ILE 14 0.547 -5.832 -6.915 29 HA ILE 14 HA ILE 14 2.636 -7.369 -8.279 30 HB ILE 14 HB ILE 14 0.085 -8.600 -7.228 31 HG12 ILE 14 2HG1 ILE 14 2.967 -9.023 -6.409 32 HG13 ILE 14 3HG1 ILE 14 1.729 -8.217 -5.451 33 HG21 ILE 14 1HG2 ILE 14 0.378 -10.228 -8.705 34 HG22 ILE 14 2HG2 ILE 14 1.720 -9.326 -9.408 35 HG23 ILE 14 3HG2 ILE 14 2.021 -10.494 -8.122 36 HD11 ILE 14 1HD1 ILE 14 1.764 -10.306 -4.513 37 HD12 ILE 14 2HD1 ILE 14 0.470 -10.482 -5.698 38 HD13 ILE 14 3HD1 ILE 14 2.080 -11.111 -6.050 39 HA PRO 15 HA PRO 15 0.062 -5.526 -11.509 40 HB2 PRO 15 2HB PRO 15 1.936 -5.805 -13.453 41 HB3 PRO 15 3HB PRO 15 1.956 -4.480 -12.284 42 HG2 PRO 15 2HG PRO 15 3.523 -7.030 -12.283 43 HG3 PRO 15 3HG PRO 15 4.065 -5.384 -11.907 44 HD2 PRO 15 2HD PRO 15 3.479 -7.200 -9.986 45 HD3 PRO 15 3HD PRO 15 3.214 -5.458 -9.766 46 H VAL 16 H VAL 16 -1.476 -6.734 -12.406 47 HA VAL 16 HA VAL 16 -0.719 -9.320 -13.604 48 HB VAL 16 HB VAL 16 -2.984 -10.137 -13.084 49 HG11 VAL 16 1HG1 VAL 16 -0.970 -9.429 -11.076 50 HG12 VAL 16 2HG1 VAL 16 -2.566 -9.795 -10.418 51 HG13 VAL 16 3HG1 VAL 16 -1.732 -10.980 -11.424 52 HG21 VAL 16 1HG2 VAL 16 -4.518 -8.932 -11.751 53 HG22 VAL 16 2HG2 VAL 16 -3.324 -7.695 -11.359 54 HG23 VAL 16 3HG2 VAL 16 -3.975 -7.805 -12.994 55 H SER 17 H SER 17 -1.849 -9.962 -15.491 56 HA SER 17 HA SER 17 -3.270 -7.784 -16.874 57 HB2 SER 17 2HB SER 17 -1.220 -9.682 -18.041 58 HB3 SER 17 3HB SER 17 -2.208 -8.572 -18.991 59 HG SER 17 HG SER 17 -0.023 -7.846 -18.338 60 H VAL 18 H VAL 18 -5.113 -8.320 -17.910 61 HA VAL 18 HA VAL 18 -5.797 -11.181 -18.096 62 HB VAL 18 HB VAL 18 -7.797 -9.012 -17.470 63 HG11 VAL 18 1HG1 VAL 18 -8.838 -11.322 -16.543 64 HG12 VAL 18 2HG1 VAL 18 -9.130 -10.693 -18.166 65 HG13 VAL 18 3HG1 VAL 18 -7.893 -11.924 -17.905 66 HG21 VAL 18 1HG2 VAL 18 -5.886 -10.329 -15.721 67 HG22 VAL 18 2HG2 VAL 18 -6.925 -8.938 -15.415 68 HG23 VAL 18 3HG2 VAL 18 -7.555 -10.572 -15.205 69 H GLN 19 H GLN 19 -6.768 -11.853 -19.948 70 HA GLN 19 HA GLN 19 -7.151 -9.816 -22.038 71 HB2 GLN 19 2HB GLN 19 -5.371 -11.581 -22.378 72 HB3 GLN 19 3HB GLN 19 -6.669 -12.765 -22.462 73 HG2 GLN 19 2HG GLN 19 -7.469 -11.941 -24.471 74 HG3 GLN 19 3HG GLN 19 -6.683 -10.377 -24.256 75 HE21 GLN 19 1HE2 GLN 19 -5.728 -13.798 -24.369 76 HE22 GLN 19 2HE2 GLN 19 -4.392 -13.564 -25.439 77 H CYS 20 H CYS 20 -9.054 -9.672 -23.107 78 HA CYS 20 HA CYS 20 -11.101 -11.712 -22.591 79 HB2 CYS 20 2HB CYS 20 -11.208 -9.478 -21.170 80 HB3 CYS 20 3HB CYS 20 -11.931 -8.844 -22.644 81 HG CYS 20 HG CYS 20 -14.208 -9.413 -21.489 82 H CYS 21 H CYS 21 -12.692 -11.921 -24.200 83 HA CYS 21 HA CYS 21 -11.825 -11.573 -26.829 84 HB2 CYS 21 2HB CYS 21 -13.706 -13.095 -25.770 85 HB3 CYS 21 3HB CYS 21 -14.750 -11.759 -26.240 86 HG CYS 21 HG CYS 21 -12.662 -13.057 -28.574 87 H GLU 22 H GLU 22 -13.441 -9.403 -24.702 88 HA GLU 22 HA GLU 22 -14.297 -7.653 -26.870 89 HB2 GLU 22 2HB GLU 22 -14.872 -7.885 -23.977 90 HB3 GLU 22 3HB GLU 22 -14.865 -6.252 -24.628 91 HG2 GLU 22 2HG GLU 22 -17.098 -7.315 -24.606 92 HG3 GLU 22 3HG GLU 22 -16.571 -6.798 -26.206 93 H GLY 23 H GLY 23 -11.708 -8.023 -24.625 94 HA2 GLY 23 2HA GLY 23 -9.956 -6.287 -25.814 95 HA3 GLY 23 3HA GLY 23 -10.833 -5.291 -24.662 96 H ARG 24 H ARG 24 -8.298 -5.308 -24.156 97 HA ARG 24 HA ARG 24 -7.812 -7.408 -22.152 98 HB2 ARG 24 2HB ARG 24 -6.154 -7.199 -24.012 99 HB3 ARG 24 3HB ARG 24 -5.788 -5.574 -23.445 100 HG2 ARG 24 2HG ARG 24 -5.221 -6.659 -21.212 101 HG3 ARG 24 3HG ARG 24 -5.246 -8.191 -22.087 102 HD2 ARG 24 2HD ARG 24 -3.219 -7.816 -22.923 103 HD3 ARG 24 3HD ARG 24 -3.709 -6.234 -23.529 104 HE ARG 24 HE ARG 24 -3.308 -5.895 -20.832 105 HH11 ARG 24 1HH1 ARG 24 -1.401 -6.956 -23.545 106 HH12 ARG 24 2HH1 ARG 24 0.095 -6.385 -22.883 107 HH21 ARG 24 1HH2 ARG 24 -1.345 -5.139 -19.950 108 HH22 ARG 24 2HH2 ARG 24 0.126 -5.353 -20.838 109 H PHE 25 H PHE 25 -7.651 -6.884 -20.058 110 HA PHE 25 HA PHE 25 -7.450 -4.031 -19.355 111 HB2 PHE 25 2HB PHE 25 -9.759 -5.166 -19.071 112 HB3 PHE 25 3HB PHE 25 -9.020 -5.994 -17.704 113 HD1 PHE 25 HD1 PHE 25 -9.611 -5.088 -15.692 114 HD2 PHE 25 HD2 PHE 25 -8.995 -2.495 -19.011 115 HE1 PHE 25 HE1 PHE 25 -10.084 -3.145 -14.258 116 HE2 PHE 25 HE2 PHE 25 -9.466 -0.548 -17.583 117 HZ PHE 25 HZ PHE 25 -10.011 -0.872 -15.203 118 H GLU 26 H GLU 26 -5.908 -3.523 -17.930 119 HA GLU 26 HA GLU 26 -4.566 -5.734 -16.519 120 HB2 GLU 26 2HB GLU 26 -2.550 -4.302 -16.518 121 HB3 GLU 26 3HB GLU 26 -3.100 -4.694 -18.141 122 HG2 GLU 26 2HG GLU 26 -3.294 -2.555 -18.661 123 HG3 GLU 26 3HG GLU 26 -4.309 -2.249 -17.254 124 H LEU 27 H LEU 27 -3.836 -5.377 -14.379 125 HA LEU 27 HA LEU 27 -4.500 -2.963 -12.976 126 HB2 LEU 27 2HB LEU 27 -6.534 -4.817 -13.220 127 HB3 LEU 27 3HB LEU 27 -5.847 -5.164 -11.635 128 HG LEU 27 HG LEU 27 -6.111 -2.516 -11.400 129 HD11 LEU 27 1HD1 LEU 27 -7.510 -3.113 -13.801 130 HD12 LEU 27 2HD1 LEU 27 -7.355 -1.567 -12.967 131 HD13 LEU 27 3HD1 LEU 27 -8.685 -2.654 -12.568 132 HD21 LEU 27 1HD2 LEU 27 -8.271 -4.581 -10.997 133 HD22 LEU 27 2HD2 LEU 27 -8.276 -2.966 -10.288 134 HD23 LEU 27 3HD2 LEU 27 -7.016 -4.119 -9.847 135 H SER 28 H SER 28 -4.041 -3.212 -10.586 136 HA SER 28 HA SER 28 -2.028 -5.299 -10.092 137 HB2 SER 28 2HB SER 28 -1.755 -2.347 -9.480 138 HB3 SER 28 3HB SER 28 -0.652 -3.592 -8.893 139 HG SER 28 HG SER 28 -0.692 -2.364 -11.279 140 H VAL 29 H VAL 29 -2.120 -6.246 -8.133 141 HA VAL 29 HA VAL 29 -3.564 -4.967 -5.950 142 HB VAL 29 HB VAL 29 -5.279 -6.251 -7.220 143 HG11 VAL 29 1HG1 VAL 29 -3.549 -8.060 -7.838 144 HG12 VAL 29 2HG1 VAL 29 -3.946 -8.760 -6.268 145 HG13 VAL 29 3HG1 VAL 29 -5.203 -8.560 -7.490 146 HG21 VAL 29 1HG2 VAL 29 -6.264 -7.305 -5.294 147 HG22 VAL 29 2HG2 VAL 29 -4.694 -7.411 -4.497 148 HG23 VAL 29 3HG2 VAL 29 -5.437 -5.836 -4.776 149 H ASP 30 H ASP 30 -3.132 -5.882 -3.899 150 HA ASP 30 HA ASP 30 -0.542 -7.139 -3.734 151 HB2 ASP 30 2HB ASP 30 -2.475 -6.316 -1.556 152 HB3 ASP 30 3HB ASP 30 -0.820 -6.861 -1.295 153 H SER 31 H SER 31 -0.066 -9.180 -3.048 154 HA SER 31 HA SER 31 -2.198 -11.124 -3.230 155 HB2 SER 31 2HB SER 31 -0.218 -11.791 -4.332 156 HB3 SER 31 3HB SER 31 0.799 -11.323 -2.970 157 HG SER 31 HG SER 31 0.430 -13.187 -2.057 158 H ASN 32 H ASN 32 -3.164 -12.156 -1.593 159 HA ASN 32 HA ASN 32 -2.016 -12.722 0.903 160 HB2 ASN 32 2HB ASN 32 -3.218 -11.158 2.351 161 HB3 ASN 32 3HB ASN 32 -2.166 -10.287 1.239 162 HD21 ASN 32 1HD2 ASN 32 -3.237 -9.542 -0.796 163 HD22 ASN 32 2HD2 ASN 32 -4.841 -8.915 -0.658 164 H HIS 33 H HIS 33 -5.040 -11.915 -0.755 165 HA HIS 33 HA HIS 33 -6.451 -13.975 0.764 166 HB2 HIS 33 2HB HIS 33 -7.215 -11.542 -0.658 167 HB3 HIS 33 3HB HIS 33 -8.256 -12.909 -1.046 168 HD1 HIS 33 HD1 HIS 33 -7.587 -10.408 1.547 169 HD2 HIS 33 HD2 HIS 33 -9.580 -14.042 1.264 170 HE1 HIS 33 HE1 HIS 33 -9.058 -10.528 3.583 171 H THR 34 H THR 34 -8.098 -15.255 -0.624 172 HA THR 34 HA THR 34 -6.577 -16.817 -2.477 173 HB THR 34 HB THR 34 -8.453 -18.277 -2.603 174 HG1 THR 34 HG1 THR 34 -10.472 -17.610 -2.349 175 HG21 THR 34 1HG2 THR 34 -8.969 -18.706 -0.259 176 HG22 THR 34 2HG2 THR 34 -8.405 -17.092 0.175 177 HG23 THR 34 3HG2 THR 34 -7.267 -18.286 -0.448 178 H LEU 35 H LEU 35 -7.855 -17.535 -4.565 179 HA LEU 35 HA LEU 35 -7.710 -15.485 -6.409 180 HB2 LEU 35 2HB LEU 35 -8.000 -18.128 -6.601 181 HB3 LEU 35 3HB LEU 35 -9.664 -17.653 -6.936 182 HG LEU 35 HG LEU 35 -8.376 -18.008 -8.987 183 HD11 LEU 35 1HD1 LEU 35 -8.859 -15.063 -8.790 184 HD12 LEU 35 2HD1 LEU 35 -10.198 -16.203 -8.672 185 HD13 LEU 35 3HD1 LEU 35 -9.198 -16.166 -10.124 186 HD21 LEU 35 1HD2 LEU 35 -6.181 -17.323 -8.011 187 HD22 LEU 35 2HD2 LEU 35 -6.712 -15.645 -8.133 188 HD23 LEU 35 3HD2 LEU 35 -6.528 -16.621 -9.592 189 H ARG 36 H ARG 36 -10.358 -16.405 -4.347 190 HA ARG 36 HA ARG 36 -12.529 -15.287 -5.634 191 HB2 ARG 36 2HB ARG 36 -11.850 -16.041 -2.909 192 HB3 ARG 36 3HB ARG 36 -12.924 -14.650 -2.953 193 HG2 ARG 36 2HG ARG 36 -14.560 -15.865 -4.200 194 HG3 ARG 36 3HG ARG 36 -13.457 -17.227 -4.410 195 HD2 ARG 36 2HD ARG 36 -13.594 -17.830 -2.149 196 HD3 ARG 36 3HD ARG 36 -14.277 -16.272 -1.686 197 HE ARG 36 HE ARG 36 -16.091 -17.409 -3.420 198 HH11 ARG 36 1HH1 ARG 36 -14.663 -18.221 -0.351 199 HH12 ARG 36 2HH1 ARG 36 -16.041 -19.115 0.201 200 HH21 ARG 36 1HH2 ARG 36 -17.911 -18.583 -2.706 201 HH22 ARG 36 2HH2 ARG 36 -17.888 -19.321 -1.140 202 H ASP 37 H ASP 37 -9.942 -13.712 -3.880 203 HA ASP 37 HA ASP 37 -11.205 -11.144 -3.779 204 HB2 ASP 37 2HB ASP 37 -9.585 -11.485 -2.112 205 HB3 ASP 37 3HB ASP 37 -8.413 -12.133 -3.257 206 H VAL 38 H VAL 38 -8.661 -12.591 -5.793 207 HA VAL 38 HA VAL 38 -8.157 -10.336 -7.387 208 HB VAL 38 HB VAL 38 -7.909 -13.219 -8.251 209 HG11 VAL 38 1HG1 VAL 38 -7.311 -12.238 -10.171 210 HG12 VAL 38 2HG1 VAL 38 -7.148 -10.651 -9.416 211 HG13 VAL 38 3HG1 VAL 38 -5.822 -11.811 -9.328 212 HG21 VAL 38 1HG2 VAL 38 -6.028 -11.488 -6.656 213 HG22 VAL 38 2HG2 VAL 38 -6.762 -13.015 -6.166 214 HG23 VAL 38 3HG2 VAL 38 -5.548 -12.990 -7.445 215 H LEU 39 H LEU 39 -10.467 -12.987 -7.743 216 HA LEU 39 HA LEU 39 -11.393 -12.204 -10.315 217 HB2 LEU 39 2HB LEU 39 -11.633 -14.450 -8.940 218 HB3 LEU 39 3HB LEU 39 -13.147 -13.701 -8.437 219 HG LEU 39 HG LEU 39 -12.364 -14.209 -11.305 220 HD11 LEU 39 1HD1 LEU 39 -13.138 -16.285 -11.147 221 HD12 LEU 39 2HD1 LEU 39 -14.587 -15.749 -10.297 222 HD13 LEU 39 3HD1 LEU 39 -13.110 -16.088 -9.395 223 HD21 LEU 39 1HD2 LEU 39 -14.723 -13.001 -9.949 224 HD22 LEU 39 2HD2 LEU 39 -14.982 -13.954 -11.410 225 HD23 LEU 39 3HD2 LEU 39 -13.925 -12.542 -11.453 226 H ARG 40 H ARG 40 -12.375 -11.467 -7.021 227 HA ARG 40 HA ARG 40 -14.846 -10.272 -7.551 228 HB2 ARG 40 2HB ARG 40 -13.002 -10.441 -5.329 229 HB3 ARG 40 3HB ARG 40 -13.711 -8.835 -5.428 230 HG2 ARG 40 2HG ARG 40 -15.371 -11.335 -5.490 231 HG3 ARG 40 3HG ARG 40 -14.917 -10.526 -3.989 232 HD2 ARG 40 2HD ARG 40 -16.426 -8.901 -4.286 233 HD3 ARG 40 3HD ARG 40 -16.002 -8.705 -5.986 234 HE ARG 40 HE ARG 40 -17.462 -11.076 -5.702 235 HH11 ARG 40 1HH1 ARG 40 -17.907 -7.633 -5.441 236 HH12 ARG 40 2HH1 ARG 40 -19.585 -7.686 -5.871 237 HH21 ARG 40 1HH2 ARG 40 -19.670 -11.159 -6.269 238 HH22 ARG 40 2HH2 ARG 40 -20.587 -9.692 -6.340 239 H GLN 41 H GLN 41 -11.593 -8.856 -7.430 240 HA GLN 41 HA GLN 41 -12.482 -6.211 -8.024 241 HB2 GLN 41 2HB GLN 41 -10.156 -7.285 -7.067 242 HB3 GLN 41 3HB GLN 41 -9.704 -6.880 -8.717 243 HG2 GLN 41 2HG GLN 41 -9.776 -4.666 -8.339 244 HG3 GLN 41 3HG GLN 41 -11.161 -4.787 -7.255 245 HE21 GLN 41 1HE2 GLN 41 -8.013 -6.381 -7.089 246 HE22 GLN 41 2HE2 GLN 41 -7.555 -5.712 -5.564 247 H PHE 42 H PHE 42 -10.782 -8.682 -9.949 248 HA PHE 42 HA PHE 42 -10.664 -7.312 -12.354 249 HB2 PHE 42 2HB PHE 42 -9.439 -9.307 -12.266 250 HB3 PHE 42 3HB PHE 42 -10.816 -10.236 -11.684 251 HD1 PHE 42 HD1 PHE 42 -10.063 -8.089 -14.648 252 HD2 PHE 42 HD2 PHE 42 -11.609 -11.773 -13.177 253 HE1 PHE 42 HE1 PHE 42 -10.550 -8.802 -16.952 254 HE2 PHE 42 HE2 PHE 42 -12.097 -12.491 -15.479 255 HZ PHE 42 HZ PHE 42 -11.566 -11.005 -17.370 256 H LYS 43 H LYS 43 -13.264 -9.338 -11.065 257 HA LYS 43 HA LYS 43 -14.924 -9.101 -13.372 258 HB2 LYS 43 2HB LYS 43 -15.251 -10.992 -11.948 259 HB3 LYS 43 3HB LYS 43 -15.475 -9.969 -10.535 260 HG2 LYS 43 2HG LYS 43 -17.360 -9.593 -12.786 261 HG3 LYS 43 3HG LYS 43 -17.503 -11.078 -11.844 262 HD2 LYS 43 2HD LYS 43 -18.144 -9.975 -9.948 263 HD3 LYS 43 3HD LYS 43 -17.243 -8.515 -10.363 264 HE2 LYS 43 2HE LYS 43 -19.310 -8.973 -12.299 265 HE3 LYS 43 3HE LYS 43 -19.997 -8.996 -10.675 266 HZ1 LYS 43 1HZ LYS 43 -19.845 -6.765 -11.840 267 HZ2 LYS 43 2HZ LYS 43 -18.178 -6.840 -11.562 268 HZ3 LYS 43 3HZ LYS 43 -19.254 -6.837 -10.257 269 H ARG 44 H ARG 44 -14.474 -7.236 -10.462 270 HA ARG 44 HA ARG 44 -16.885 -5.750 -10.591 271 HB2 ARG 44 2HB ARG 44 -14.368 -5.641 -9.069 272 HB3 ARG 44 3HB ARG 44 -15.145 -4.081 -9.308 273 HG2 ARG 44 2HG ARG 44 -17.036 -4.695 -8.115 274 HG3 ARG 44 3HG ARG 44 -16.712 -6.420 -8.302 275 HD2 ARG 44 2HD ARG 44 -15.917 -6.290 -6.210 276 HD3 ARG 44 3HD ARG 44 -14.490 -5.583 -6.968 277 HE ARG 44 HE ARG 44 -16.396 -3.572 -6.425 278 HH11 ARG 44 1HH1 ARG 44 -14.114 -5.665 -4.834 279 HH12 ARG 44 2HH1 ARG 44 -13.850 -4.584 -3.506 280 HH21 ARG 44 1HH2 ARG 44 -16.058 -2.141 -4.681 281 HH22 ARG 44 2HH2 ARG 44 -14.957 -2.580 -3.419 282 H GLU 45 H GLU 45 -13.862 -5.535 -12.255 283 HA GLU 45 HA GLU 45 -14.532 -2.872 -13.287 284 HB2 GLU 45 2HB GLU 45 -11.981 -4.463 -13.608 285 HB3 GLU 45 3HB GLU 45 -12.240 -2.805 -14.132 286 HG2 GLU 45 2HG GLU 45 -12.148 -3.835 -11.310 287 HG3 GLU 45 3HG GLU 45 -10.992 -2.768 -12.104 288 H VAL 46 H VAL 46 -13.506 -6.078 -14.447 289 HA VAL 46 HA VAL 46 -13.768 -5.629 -17.175 290 HB VAL 46 HB VAL 46 -12.913 -7.725 -15.845 291 HG11 VAL 46 1HG1 VAL 46 -15.587 -8.806 -16.645 292 HG12 VAL 46 2HG1 VAL 46 -14.386 -9.494 -15.551 293 HG13 VAL 46 3HG1 VAL 46 -15.345 -8.102 -15.047 294 HG21 VAL 46 1HG2 VAL 46 -13.829 -9.028 -18.085 295 HG22 VAL 46 2HG2 VAL 46 -13.870 -7.333 -18.571 296 HG23 VAL 46 3HG2 VAL 46 -12.366 -8.047 -17.990 297 H ALA 47 H ALA 47 -16.203 -6.067 -14.755 298 HA ALA 47 HA ALA 47 -18.340 -6.906 -16.389 299 HB1 ALA 47 1HB ALA 47 -18.163 -5.561 -13.724 300 HB2 ALA 47 2HB ALA 47 -19.726 -5.779 -14.512 301 HB3 ALA 47 3HB ALA 47 -18.730 -7.183 -14.124 302 H ALA 48 H ALA 48 -16.698 -3.941 -16.207 303 HA ALA 48 HA ALA 48 -18.823 -2.176 -16.876 304 HB1 ALA 48 1HB ALA 48 -16.872 -0.699 -17.654 305 HB2 ALA 48 2HB ALA 48 -16.957 -1.134 -15.947 306 HB3 ALA 48 3HB ALA 48 -15.836 -1.976 -17.016 307 H LEU 49 H LEU 49 -16.706 -4.243 -18.726 308 HA LEU 49 HA LEU 49 -17.912 -3.223 -21.212 309 HB2 LEU 49 2HB LEU 49 -15.208 -3.791 -20.498 310 HB3 LEU 49 3HB LEU 49 -15.699 -4.887 -21.788 311 HG LEU 49 HG LEU 49 -14.574 -2.814 -22.577 312 HD11 LEU 49 1HD1 LEU 49 -16.500 -4.192 -23.757 313 HD12 LEU 49 2HD1 LEU 49 -15.826 -2.730 -24.476 314 HD13 LEU 49 3HD1 LEU 49 -17.356 -2.658 -23.601 315 HD21 LEU 49 1HD2 LEU 49 -15.887 -1.473 -20.721 316 HD22 LEU 49 2HD2 LEU 49 -17.062 -1.280 -22.023 317 HD23 LEU 49 3HD2 LEU 49 -15.405 -0.713 -22.238 318 H ASP 50 H ASP 50 -17.470 -5.964 -19.167 319 HA ASP 50 HA ASP 50 -18.564 -7.775 -21.196 320 HB2 ASP 50 2HB ASP 50 -16.510 -8.389 -19.822 321 HB3 ASP 50 3HB ASP 50 -17.594 -8.530 -18.440 322 HA PRO 51 HA PRO 51 -22.475 -6.921 -19.106 323 HB2 PRO 51 2HB PRO 51 -24.007 -7.992 -21.075 324 HB3 PRO 51 3HB PRO 51 -23.332 -6.360 -21.163 325 HG2 PRO 51 2HG PRO 51 -22.337 -8.891 -22.413 326 HG3 PRO 51 3HG PRO 51 -22.455 -7.267 -23.116 327 HD2 PRO 51 2HD PRO 51 -20.127 -8.283 -22.177 328 HD3 PRO 51 3HD PRO 51 -20.512 -6.552 -22.103 329 H ILE 52 H ILE 52 -21.319 -9.941 -20.489 330 HA ILE 52 HA ILE 52 -23.283 -11.635 -19.364 331 HB ILE 52 HB ILE 52 -20.438 -12.370 -20.057 332 HG12 ILE 52 2HG1 ILE 52 -22.892 -12.455 -21.824 333 HG13 ILE 52 3HG1 ILE 52 -21.635 -11.226 -21.921 334 HG21 ILE 52 1HG2 ILE 52 -22.769 -13.862 -19.156 335 HG22 ILE 52 2HG2 ILE 52 -22.081 -14.495 -20.650 336 HG23 ILE 52 3HG2 ILE 52 -21.072 -14.337 -19.212 337 HD11 ILE 52 1HD1 ILE 52 -21.457 -14.139 -22.590 338 HD12 ILE 52 2HD1 ILE 52 -21.133 -12.743 -23.619 339 HD13 ILE 52 3HD1 ILE 52 -20.021 -13.154 -22.313 340 H ASN 53 H ASN 53 -23.247 -12.917 -17.520 341 HA ASN 53 HA ASN 53 -22.011 -11.765 -15.236 342 HB2 ASN 53 2HB ASN 53 -24.076 -13.639 -15.748 343 HB3 ASN 53 3HB ASN 53 -22.906 -14.438 -14.702 344 HD21 ASN 53 1HD2 ASN 53 -25.563 -13.703 -14.017 345 HD22 ASN 53 2HD2 ASN 53 -25.468 -12.559 -12.725 346 H LEU 54 H LEU 54 -20.539 -12.813 -13.766 347 HA LEU 54 HA LEU 54 -18.273 -13.904 -15.079 348 HB2 LEU 54 2HB LEU 54 -17.198 -13.804 -13.027 349 HB3 LEU 54 3HB LEU 54 -18.379 -12.498 -12.941 350 HG LEU 54 HG LEU 54 -19.814 -14.420 -11.773 351 HD11 LEU 54 1HD1 LEU 54 -16.994 -15.315 -11.640 352 HD12 LEU 54 2HD1 LEU 54 -18.486 -16.255 -11.649 353 HD13 LEU 54 3HD1 LEU 54 -17.961 -15.451 -10.171 354 HD21 LEU 54 1HD2 LEU 54 -19.365 -12.264 -10.793 355 HD22 LEU 54 2HD2 LEU 54 -17.694 -12.721 -10.464 356 HD23 LEU 54 3HD2 LEU 54 -19.012 -13.524 -9.610 357 H GLU 55 H GLU 55 -20.964 -15.288 -13.332 358 HA GLU 55 HA GLU 55 -19.798 -17.891 -13.056 359 HB2 GLU 55 2HB GLU 55 -21.902 -16.631 -11.872 360 HB3 GLU 55 3HB GLU 55 -22.738 -17.674 -13.013 361 HG2 GLU 55 2HG GLU 55 -21.448 -19.597 -12.085 362 HG3 GLU 55 3HG GLU 55 -20.827 -18.506 -10.847 363 H GLU 56 H GLU 56 -21.081 -16.202 -15.651 364 HA GLU 56 HA GLU 56 -22.221 -18.483 -17.020 365 HB2 GLU 56 2HB GLU 56 -21.741 -15.617 -17.829 366 HB3 GLU 56 3HB GLU 56 -22.371 -16.823 -18.943 367 HG2 GLU 56 2HG GLU 56 -23.996 -17.082 -16.733 368 HG3 GLU 56 3HG GLU 56 -23.715 -15.345 -16.842 369 H TYR 57 H TYR 57 -19.155 -17.599 -16.363 370 HA TYR 57 HA TYR 57 -18.075 -19.242 -18.460 371 HB2 TYR 57 2HB TYR 57 -16.565 -17.570 -19.396 372 HB3 TYR 57 3HB TYR 57 -18.237 -17.064 -19.607 373 HD1 TYR 57 HD1 TYR 57 -19.011 -15.021 -18.711 374 HD2 TYR 57 HD2 TYR 57 -15.196 -16.516 -17.563 375 HE1 TYR 57 HE1 TYR 57 -18.504 -12.874 -17.623 376 HE2 TYR 57 HE2 TYR 57 -14.679 -14.374 -16.470 377 HH TYR 57 HH TYR 57 -15.373 -12.312 -16.040 378 H VAL 58 H VAL 58 -15.619 -19.353 -18.255 379 HA VAL 58 HA VAL 58 -14.903 -19.189 -15.400 380 HB VAL 58 HB VAL 58 -13.367 -21.061 -15.782 381 HG11 VAL 58 1HG1 VAL 58 -15.972 -22.005 -16.884 382 HG12 VAL 58 2HG1 VAL 58 -14.963 -22.706 -15.616 383 HG13 VAL 58 3HG1 VAL 58 -15.930 -21.269 -15.282 384 HG21 VAL 58 1HG2 VAL 58 -14.429 -20.902 -18.591 385 HG22 VAL 58 2HG2 VAL 58 -12.752 -20.833 -18.052 386 HG23 VAL 58 3HG2 VAL 58 -13.649 -22.348 -17.949 387 H VAL 59 H VAL 59 -12.439 -19.169 -15.091 388 HA VAL 59 HA VAL 59 -11.194 -17.391 -17.084 389 HB VAL 59 HB VAL 59 -10.987 -17.143 -14.079 390 HG11 VAL 59 1HG1 VAL 59 -9.921 -14.895 -15.426 391 HG12 VAL 59 2HG1 VAL 59 -9.078 -16.058 -14.401 392 HG13 VAL 59 3HG1 VAL 59 -9.194 -16.335 -16.139 393 HG21 VAL 59 1HG2 VAL 59 -12.192 -15.251 -16.096 394 HG22 VAL 59 2HG2 VAL 59 -13.114 -16.332 -15.050 395 HG23 VAL 59 3HG2 VAL 59 -12.144 -15.039 -14.345 396 H ASN 60 H ASN 60 -9.275 -18.053 -17.797 397 HA ASN 60 HA ASN 60 -7.921 -20.213 -16.332 398 HB2 ASN 60 2HB ASN 60 -6.930 -20.877 -18.420 399 HB3 ASN 60 3HB ASN 60 -8.657 -20.656 -18.690 400 HD21 ASN 60 1HD2 ASN 60 -5.490 -19.226 -19.138 401 HD22 ASN 60 2HD2 ASN 60 -5.930 -18.203 -20.459 402 H HIS 61 H HIS 61 -5.847 -20.010 -15.659 403 HA HIS 61 HA HIS 61 -4.564 -17.398 -16.110 404 HB2 HIS 61 2HB HIS 61 -3.270 -18.061 -13.976 405 HB3 HIS 61 3HB HIS 61 -4.947 -17.550 -13.804 406 HD1 HIS 61 HD1 HIS 61 -2.764 -20.599 -13.628 407 HD2 HIS 61 HD2 HIS 61 -6.690 -19.487 -12.849 408 HE1 HIS 61 HE1 HIS 61 -3.775 -22.533 -12.379 409 H GLU 62 H GLU 62 -2.952 -17.483 -17.520 410 HA GLU 62 HA GLU 62 -1.176 -18.213 -18.743 411 HB2 GLU 62 2HB GLU 62 -0.353 -18.264 -16.248 412 HB3 GLU 62 3HB GLU 62 -0.361 -20.005 -16.489 413 HG2 GLU 62 2HG GLU 62 1.059 -19.544 -18.560 414 HG3 GLU 62 3HG GLU 62 1.287 -17.931 -17.886 415 H GLY 63 H GLY 63 -3.650 -19.699 -18.954 416 HA2 GLY 63 2HA GLY 63 -4.264 -21.492 -20.299 417 HA3 GLY 63 3HA GLY 63 -2.593 -22.035 -20.287 418 H LYS 64 H LYS 64 -3.800 -21.384 -17.190 419 HA LYS 64 HA LYS 64 -4.349 -24.249 -16.763 420 HB2 LYS 64 2HB LYS 64 -2.905 -22.271 -15.003 421 HB3 LYS 64 3HB LYS 64 -3.509 -23.809 -14.401 422 HG2 LYS 64 2HG LYS 64 -1.756 -23.802 -16.805 423 HG3 LYS 64 3HG LYS 64 -1.033 -23.549 -15.215 424 HD2 LYS 64 2HD LYS 64 -2.002 -25.641 -14.426 425 HD3 LYS 64 3HD LYS 64 -2.780 -25.886 -15.991 426 HE2 LYS 64 2HE LYS 64 -0.570 -25.967 -17.059 427 HE3 LYS 64 3HE LYS 64 0.192 -25.752 -15.483 428 HZ1 LYS 64 1HZ LYS 64 -0.180 -27.879 -14.919 429 HZ2 LYS 64 2HZ LYS 64 -0.289 -28.129 -16.588 430 HZ3 LYS 64 3HZ LYS 64 -1.696 -27.945 -15.667 431 H LEU 65 H LEU 65 -6.304 -24.719 -16.006 432 HA LEU 65 HA LEU 65 -8.034 -22.548 -15.119 433 HB2 LEU 65 2HB LEU 65 -8.430 -25.291 -16.170 434 HB3 LEU 65 3HB LEU 65 -9.658 -24.662 -15.074 435 HG LEU 65 HG LEU 65 -9.196 -22.657 -17.000 436 HD11 LEU 65 1HD1 LEU 65 -8.210 -24.098 -18.555 437 HD12 LEU 65 2HD1 LEU 65 -9.905 -24.025 -19.035 438 HD13 LEU 65 3HD1 LEU 65 -9.299 -25.426 -18.152 439 HD21 LEU 65 1HD2 LEU 65 -11.542 -23.287 -17.666 440 HD22 LEU 65 2HD2 LEU 65 -11.304 -22.937 -15.953 441 HD23 LEU 65 3HD2 LEU 65 -11.432 -24.609 -16.503 442 H LEU 66 H LEU 66 -8.653 -22.239 -13.071 443 HA LEU 66 HA LEU 66 -7.543 -23.964 -11.017 444 HB2 LEU 66 2HB LEU 66 -8.400 -22.242 -9.463 445 HB3 LEU 66 3HB LEU 66 -7.302 -21.608 -10.687 446 HG LEU 66 HG LEU 66 -9.804 -21.234 -11.803 447 HD11 LEU 66 1HD1 LEU 66 -11.232 -20.306 -10.189 448 HD12 LEU 66 2HD1 LEU 66 -9.976 -20.305 -8.953 449 HD13 LEU 66 3HD1 LEU 66 -10.682 -21.829 -9.490 450 HD21 LEU 66 1HD2 LEU 66 -9.206 -18.830 -10.620 451 HD22 LEU 66 2HD2 LEU 66 -8.570 -19.406 -12.161 452 HD23 LEU 66 3HD2 LEU 66 -7.639 -19.636 -10.681 453 H LEU 67 H LEU 67 -8.644 -25.420 -9.863 454 HA LEU 67 HA LEU 67 -11.307 -26.111 -10.589 455 HB2 LEU 67 2HB LEU 67 -9.212 -27.156 -8.825 456 HB3 LEU 67 3HB LEU 67 -10.854 -27.467 -8.268 457 HG LEU 67 HG LEU 67 -10.094 -28.154 -11.076 458 HD11 LEU 67 1HD1 LEU 67 -9.311 -29.632 -8.589 459 HD12 LEU 67 2HD1 LEU 67 -8.333 -29.240 -10.002 460 HD13 LEU 67 3HD1 LEU 67 -9.587 -30.475 -10.113 461 HD21 LEU 67 1HD2 LEU 67 -11.724 -30.025 -9.618 462 HD22 LEU 67 2HD2 LEU 67 -12.095 -29.118 -11.084 463 HD23 LEU 67 3HD2 LEU 67 -12.389 -28.396 -9.502 464 H ASP 68 H ASP 68 -9.907 -24.121 -8.126 465 HA ASP 68 HA ASP 68 -12.552 -23.276 -7.291 466 HB2 ASP 68 2HB ASP 68 -11.168 -25.192 -5.765 467 HB3 ASP 68 3HB ASP 68 -10.986 -23.669 -4.900 468 H ASP 69 H ASP 69 -12.446 -21.369 -5.836 469 HA ASP 69 HA ASP 69 -10.207 -19.667 -6.637 470 HB2 ASP 69 2HB ASP 69 -12.883 -18.978 -5.405 471 HB3 ASP 69 3HB ASP 69 -11.653 -17.802 -5.859 472 H SER 70 H SER 70 -9.978 -21.699 -4.521 473 HA SER 70 HA SER 70 -9.746 -20.113 -2.085 474 HB2 SER 70 2HB SER 70 -10.705 -22.305 -1.793 475 HB3 SER 70 3HB SER 70 -9.351 -23.062 -2.631 476 HG SER 70 HG SER 70 -9.534 -22.121 -0.032 477 H VAL 71 H VAL 71 -7.787 -21.419 -4.617 478 HA VAL 71 HA VAL 71 -5.297 -21.283 -3.200 479 HB VAL 71 HB VAL 71 -4.246 -21.653 -5.384 480 HG11 VAL 71 1HG1 VAL 71 -5.365 -23.494 -3.997 481 HG12 VAL 71 2HG1 VAL 71 -6.628 -23.472 -5.229 482 HG13 VAL 71 3HG1 VAL 71 -4.965 -23.858 -5.675 483 HG21 VAL 71 1HG2 VAL 71 -6.953 -20.917 -6.346 484 HG22 VAL 71 2HG2 VAL 71 -5.369 -20.564 -7.038 485 HG23 VAL 71 3HG2 VAL 71 -6.084 -22.164 -7.241 486 H THR 72 H THR 72 -3.937 -19.614 -2.988 487 HA THR 72 HA THR 72 -4.782 -16.996 -3.785 488 HB THR 72 HB THR 72 -3.005 -16.148 -2.518 489 HG1 THR 72 HG1 THR 72 -1.247 -17.703 -1.892 490 HG21 THR 72 1HG2 THR 72 -3.142 -18.681 -0.996 491 HG22 THR 72 2HG2 THR 72 -4.682 -17.910 -1.375 492 HG23 THR 72 3HG2 THR 72 -3.451 -17.026 -0.474 493 H LEU 73 H LEU 73 -2.587 -15.615 -4.489 494 HA LEU 73 HA LEU 73 -2.310 -16.229 -7.247 495 HB2 LEU 73 2HB LEU 73 -1.073 -14.206 -5.417 496 HB3 LEU 73 3HB LEU 73 -0.515 -14.379 -7.080 497 HG LEU 73 HG LEU 73 -3.399 -13.849 -6.419 498 HD11 LEU 73 1HD1 LEU 73 -2.754 -11.446 -7.059 499 HD12 LEU 73 2HD1 LEU 73 -1.113 -11.923 -6.624 500 HD13 LEU 73 3HD1 LEU 73 -2.401 -11.998 -5.422 501 HD21 LEU 73 1HD2 LEU 73 -3.614 -13.265 -8.665 502 HD22 LEU 73 2HD2 LEU 73 -2.564 -14.682 -8.702 503 HD23 LEU 73 3HD2 LEU 73 -1.875 -13.068 -8.880 504 H GLN 74 H GLN 74 0.023 -16.250 -4.554 505 HA GLN 74 HA GLN 74 2.101 -17.411 -6.134 506 HB2 GLN 74 2HB GLN 74 1.817 -16.324 -3.488 507 HB3 GLN 74 3HB GLN 74 2.635 -17.879 -3.401 508 HG2 GLN 74 2HG GLN 74 3.905 -16.664 -5.497 509 HG3 GLN 74 3HG GLN 74 3.578 -15.315 -4.411 510 HE21 GLN 74 1HE2 GLN 74 5.443 -18.123 -4.979 511 HE22 GLN 74 2HE2 GLN 74 6.429 -18.032 -3.563 512 H THR 75 H THR 75 -0.430 -18.636 -4.069 513 HA THR 75 HA THR 75 0.530 -21.206 -3.563 514 HB THR 75 HB THR 75 -2.328 -20.299 -3.958 515 HG1 THR 75 HG1 THR 75 -0.619 -20.528 -1.699 516 HG21 THR 75 1HG2 THR 75 -1.148 -22.903 -3.067 517 HG22 THR 75 2HG2 THR 75 -2.507 -22.603 -4.151 518 HG23 THR 75 3HG2 THR 75 -2.694 -22.364 -2.414 519 H VAL 76 H VAL 76 -1.426 -20.010 -6.279 520 HA VAL 76 HA VAL 76 -1.573 -22.535 -7.590 521 HB VAL 76 HB VAL 76 -3.236 -20.788 -8.006 522 HG11 VAL 76 1HG1 VAL 76 -1.995 -18.784 -7.878 523 HG12 VAL 76 2HG1 VAL 76 -0.887 -19.299 -9.152 524 HG13 VAL 76 3HG1 VAL 76 -2.558 -18.895 -9.546 525 HG21 VAL 76 1HG2 VAL 76 -3.615 -21.692 -10.003 526 HG22 VAL 76 2HG2 VAL 76 -2.221 -20.872 -10.706 527 HG23 VAL 76 3HG2 VAL 76 -2.016 -22.429 -9.903 528 H GLY 77 H GLY 77 0.756 -19.972 -7.521 529 HA2 GLY 77 2HA GLY 77 2.996 -20.247 -8.223 530 HA3 GLY 77 3HA GLY 77 2.475 -21.534 -9.300 531 H VAL 78 H VAL 78 1.011 -18.340 -9.066 532 HA VAL 78 HA VAL 78 1.102 -17.947 -11.872 533 HB VAL 78 HB VAL 78 -0.602 -16.927 -10.361 534 HG11 VAL 78 1HG1 VAL 78 1.309 -16.200 -8.730 535 HG12 VAL 78 2HG1 VAL 78 1.336 -14.748 -9.732 536 HG13 VAL 78 3HG1 VAL 78 -0.144 -15.216 -8.894 537 HG21 VAL 78 1HG2 VAL 78 -0.862 -14.946 -11.638 538 HG22 VAL 78 2HG2 VAL 78 0.870 -14.835 -11.950 539 HG23 VAL 78 3HG2 VAL 78 -0.080 -16.122 -12.694 540 H LYS 79 H LYS 79 2.378 -16.623 -13.128 541 HA LYS 79 HA LYS 79 5.061 -16.222 -12.222 542 HB2 LYS 79 2HB LYS 79 3.635 -16.192 -14.742 543 HB3 LYS 79 3HB LYS 79 4.739 -14.828 -14.629 544 HG2 LYS 79 2HG LYS 79 6.602 -16.285 -14.257 545 HG3 LYS 79 3HG LYS 79 5.537 -17.689 -14.141 546 HD2 LYS 79 2HD LYS 79 4.886 -16.565 -16.584 547 HD3 LYS 79 3HD LYS 79 6.639 -16.374 -16.488 548 HE2 LYS 79 2HE LYS 79 5.180 -18.967 -15.998 549 HE3 LYS 79 3HE LYS 79 5.894 -18.508 -17.543 550 HZ1 LYS 79 1HZ LYS 79 7.716 -18.265 -15.338 551 HZ2 LYS 79 2HZ LYS 79 7.924 -19.033 -16.830 552 HZ3 LYS 79 3HZ LYS 79 7.162 -19.848 -15.559 553 H LYS 80 H LYS 80 6.111 -14.006 -12.886 554 HA LYS 80 HA LYS 80 5.210 -12.078 -11.069 555 HB2 LYS 80 2HB LYS 80 7.541 -12.296 -11.975 556 HB3 LYS 80 3HB LYS 80 6.968 -11.580 -13.476 557 HG2 LYS 80 2HG LYS 80 7.035 -9.514 -12.644 558 HG3 LYS 80 3HG LYS 80 6.287 -10.005 -11.122 559 HD2 LYS 80 2HD LYS 80 8.283 -10.344 -10.095 560 HD3 LYS 80 3HD LYS 80 9.077 -10.882 -11.577 561 HE2 LYS 80 2HE LYS 80 8.568 -8.273 -12.152 562 HE3 LYS 80 3HE LYS 80 8.853 -8.194 -10.414 563 HZ1 LYS 80 1HZ LYS 80 10.840 -9.813 -11.387 564 HZ2 LYS 80 2HZ LYS 80 11.003 -8.201 -10.903 565 HZ3 LYS 80 3HZ LYS 80 10.721 -8.571 -12.530 566 H ASP 81 H ASP 81 4.924 -12.184 -14.612 567 HA ASP 81 HA ASP 81 3.469 -9.756 -14.817 568 HB2 ASP 81 2HB ASP 81 2.972 -10.507 -17.123 569 HB3 ASP 81 3HB ASP 81 4.683 -10.647 -16.728 570 H SER 82 H SER 82 2.508 -13.160 -14.674 571 HA SER 82 HA SER 82 0.517 -14.170 -14.237 572 HB2 SER 82 2HB SER 82 -0.532 -11.563 -13.161 573 HB3 SER 82 3HB SER 82 -0.882 -13.204 -12.617 574 HG SER 82 HG SER 82 1.426 -11.644 -12.185 575 H VAL 83 H VAL 83 0.019 -14.410 -16.444 576 HA VAL 83 HA VAL 83 -1.895 -12.451 -17.527 577 HB VAL 83 HB VAL 83 0.022 -12.688 -18.967 578 HG11 VAL 83 1HG1 VAL 83 -0.217 -15.366 -19.891 579 HG12 VAL 83 2HG1 VAL 83 1.160 -14.588 -19.108 580 HG13 VAL 83 3HG1 VAL 83 -0.069 -15.396 -18.134 581 HG21 VAL 83 1HG2 VAL 83 -1.062 -13.381 -21.036 582 HG22 VAL 83 2HG2 VAL 83 -2.329 -14.193 -20.115 583 HG23 VAL 83 3HG2 VAL 83 -2.168 -12.438 -20.037 584 H PHE 84 H PHE 84 -3.954 -13.037 -17.506 585 HA PHE 84 HA PHE 84 -4.613 -15.894 -17.771 586 HB2 PHE 84 2HB PHE 84 -6.613 -14.387 -16.296 587 HB3 PHE 84 3HB PHE 84 -5.811 -15.896 -15.873 588 HD1 PHE 84 HD1 PHE 84 -5.908 -12.313 -15.389 589 HD2 PHE 84 HD2 PHE 84 -3.662 -15.854 -14.659 590 HE1 PHE 84 HE1 PHE 84 -4.623 -11.135 -13.653 591 HE2 PHE 84 HE2 PHE 84 -2.374 -14.682 -12.921 592 HZ PHE 84 HZ PHE 84 -2.854 -12.320 -12.415 593 H VAL 85 H VAL 85 -6.188 -16.404 -19.194 594 HA VAL 85 HA VAL 85 -7.366 -14.185 -20.713 595 HB VAL 85 HB VAL 85 -7.193 -17.107 -21.463 596 HG11 VAL 85 1HG1 VAL 85 -9.046 -16.086 -22.570 597 HG12 VAL 85 2HG1 VAL 85 -8.083 -14.669 -22.993 598 HG13 VAL 85 3HG1 VAL 85 -7.735 -16.229 -23.740 599 HG21 VAL 85 1HG2 VAL 85 -5.444 -14.755 -22.114 600 HG22 VAL 85 2HG2 VAL 85 -4.979 -16.332 -21.475 601 HG23 VAL 85 3HG2 VAL 85 -5.512 -16.181 -23.149 602 H LEU 86 H LEU 86 -9.565 -14.063 -21.122 603 HA LEU 86 HA LEU 86 -11.244 -15.673 -19.322 604 HB2 LEU 86 2HB LEU 86 -11.175 -13.166 -19.070 605 HB3 LEU 86 3HB LEU 86 -11.965 -13.066 -20.642 606 HG LEU 86 HG LEU 86 -13.214 -14.608 -18.395 607 HD11 LEU 86 1HD1 LEU 86 -14.549 -12.288 -18.285 608 HD12 LEU 86 2HD1 LEU 86 -12.936 -11.682 -18.660 609 HD13 LEU 86 3HD1 LEU 86 -13.193 -12.677 -17.227 610 HD21 LEU 86 1HD2 LEU 86 -13.881 -13.960 -21.092 611 HD22 LEU 86 2HD2 LEU 86 -15.051 -13.202 -20.012 612 HD23 LEU 86 3HD2 LEU 86 -14.776 -14.942 -19.933 613 H VAL 87 H VAL 87 -12.289 -17.277 -20.281 614 HA VAL 87 HA VAL 87 -13.536 -16.791 -22.894 615 HB VAL 87 HB VAL 87 -11.417 -18.064 -23.230 616 HG11 VAL 87 1HG1 VAL 87 -11.179 -20.301 -22.442 617 HG12 VAL 87 2HG1 VAL 87 -11.570 -19.291 -21.048 618 HG13 VAL 87 3HG1 VAL 87 -12.814 -20.305 -21.781 619 HG21 VAL 87 1HG2 VAL 87 -13.686 -18.312 -24.541 620 HG22 VAL 87 2HG2 VAL 87 -12.315 -19.363 -24.892 621 HG23 VAL 87 3HG2 VAL 87 -13.634 -19.944 -23.876 622 H ARG 88 H ARG 88 -15.391 -18.065 -23.327 623 HA ARG 88 HA ARG 88 -17.027 -18.553 -21.084 624 HB2 ARG 88 2HB ARG 88 -17.264 -18.794 -24.008 625 HB3 ARG 88 3HB ARG 88 -18.281 -19.904 -23.099 626 HG2 ARG 88 2HG ARG 88 -19.682 -18.112 -23.314 627 HG3 ARG 88 3HG ARG 88 -18.922 -17.748 -21.764 628 HD2 ARG 88 2HD ARG 88 -18.812 -15.727 -22.916 629 HD3 ARG 88 3HD ARG 88 -17.210 -16.424 -23.148 630 HE ARG 88 HE ARG 88 -18.789 -17.231 -25.291 631 HH11 ARG 88 1HH1 ARG 88 -17.505 -14.282 -23.959 632 HH12 ARG 88 2HH1 ARG 88 -17.420 -13.474 -25.489 633 HH21 ARG 88 1HH2 ARG 88 -18.683 -16.177 -27.311 634 HH22 ARG 88 2HH2 ARG 88 -18.092 -14.553 -27.395 635 H LYS 89 H LYS 89 -18.195 -20.670 -20.743 636 HA LYS 89 HA LYS 89 -16.200 -22.759 -20.414 637 HB2 LYS 89 2HB LYS 89 -17.685 -22.131 -18.535 638 HB3 LYS 89 3HB LYS 89 -19.074 -22.655 -19.478 639 HG2 LYS 89 2HG LYS 89 -16.935 -24.649 -19.154 640 HG3 LYS 89 3HG LYS 89 -17.799 -24.199 -17.681 641 HD2 LYS 89 2HD LYS 89 -19.849 -24.938 -18.515 642 HD3 LYS 89 3HD LYS 89 -19.288 -24.901 -20.188 643 HE2 LYS 89 2HE LYS 89 -19.344 -27.174 -19.656 644 HE3 LYS 89 3HE LYS 89 -17.646 -26.734 -19.476 645 HZ1 LYS 89 1HZ LYS 89 -19.466 -26.670 -17.156 646 HZ2 LYS 89 2HZ LYS 89 -17.782 -26.822 -17.181 647 HZ3 LYS 89 3HZ LYS 89 -18.755 -28.124 -17.649 648 H ALA 90 H ALA 90 -19.199 -22.175 -22.154 649 HA ALA 90 HA ALA 90 -18.622 -24.508 -23.825 650 HB1 ALA 90 1HB ALA 90 -21.177 -24.031 -22.326 651 HB2 ALA 90 2HB ALA 90 -21.133 -25.003 -23.798 652 HB3 ALA 90 3HB ALA 90 -20.186 -25.489 -22.392 Start of MODEL 8 1 H1 MET 10 H MET 10 1.980 0.539 1.519 2 HA MET 10 HA MET 10 1.826 -0.429 -1.193 3 HB2 MET 10 2HB MET 10 2.436 2.393 -0.578 4 HB3 MET 10 3HB MET 10 3.552 1.609 -1.688 5 HG2 MET 10 2HG MET 10 1.679 0.991 -3.132 6 HG3 MET 10 3HG MET 10 0.567 1.789 -2.022 7 HE1 MET 10 1HE MET 10 0.639 2.128 -4.930 8 HE2 MET 10 2HE MET 10 0.990 3.770 -5.468 9 HE3 MET 10 3HE MET 10 2.262 2.548 -5.478 10 H SER 11 H SER 11 2.964 -2.196 -0.367 11 HA SER 11 HA SER 11 5.778 -1.636 0.309 12 HB2 SER 11 2HB SER 11 3.818 -3.052 1.830 13 HB3 SER 11 3HB SER 11 5.042 -4.204 1.296 14 HG SER 11 HG SER 11 5.209 -2.319 3.207 15 H GLU 12 H GLU 12 3.720 -4.363 -0.731 16 HA GLU 12 HA GLU 12 5.792 -5.028 -2.719 17 HB2 GLU 12 2HB GLU 12 5.181 -6.623 -0.679 18 HB3 GLU 12 3HB GLU 12 3.887 -7.110 -1.764 19 HG2 GLU 12 2HG GLU 12 5.563 -8.627 -2.230 20 HG3 GLU 12 3HG GLU 12 5.751 -7.425 -3.505 21 H THR 13 H THR 13 5.132 -4.509 -4.690 22 HA THR 13 HA THR 13 2.277 -4.533 -5.321 23 HB THR 13 HB THR 13 3.835 -3.697 -7.559 24 HG1 THR 13 HG1 THR 13 4.601 -2.579 -5.056 25 HG21 THR 13 1HG2 THR 13 2.077 -2.219 -5.600 26 HG22 THR 13 2HG2 THR 13 1.595 -2.922 -7.144 27 HG23 THR 13 3HG2 THR 13 2.680 -1.533 -7.108 28 H ILE 14 H ILE 14 1.383 -5.752 -6.957 29 HA ILE 14 HA ILE 14 3.125 -7.621 -8.392 30 HB ILE 14 HB ILE 14 0.602 -8.510 -6.995 31 HG12 ILE 14 2HG1 ILE 14 2.446 -7.966 -5.409 32 HG13 ILE 14 3HG1 ILE 14 2.014 -9.673 -5.412 33 HG21 ILE 14 1HG2 ILE 14 1.047 -9.770 -8.999 34 HG22 ILE 14 2HG2 ILE 14 2.723 -10.018 -8.514 35 HG23 ILE 14 3HG2 ILE 14 1.419 -10.769 -7.594 36 HD11 ILE 14 1HD1 ILE 14 4.089 -10.245 -5.911 37 HD12 ILE 14 2HD1 ILE 14 4.100 -9.177 -7.315 38 HD13 ILE 14 3HD1 ILE 14 4.548 -8.552 -5.728 39 HA PRO 15 HA PRO 15 0.332 -5.835 -11.467 40 HB2 PRO 15 2HB PRO 15 1.899 -6.500 -13.583 41 HB3 PRO 15 3HB PRO 15 2.197 -5.078 -12.576 42 HG2 PRO 15 2HG PRO 15 3.504 -7.770 -12.487 43 HG3 PRO 15 3HG PRO 15 4.243 -6.163 -12.362 44 HD2 PRO 15 2HD PRO 15 3.748 -7.711 -10.196 45 HD3 PRO 15 3HD PRO 15 3.678 -5.938 -10.138 46 H VAL 16 H VAL 16 -1.143 -6.753 -12.856 47 HA VAL 16 HA VAL 16 -0.899 -9.609 -13.463 48 HB VAL 16 HB VAL 16 -3.452 -8.433 -12.367 49 HG11 VAL 16 1HG1 VAL 16 -4.013 -10.271 -13.685 50 HG12 VAL 16 2HG1 VAL 16 -2.578 -11.177 -13.202 51 HG13 VAL 16 3HG1 VAL 16 -3.903 -10.947 -12.060 52 HG21 VAL 16 1HG2 VAL 16 -2.791 -10.074 -10.423 53 HG22 VAL 16 2HG2 VAL 16 -1.155 -9.747 -10.996 54 HG23 VAL 16 3HG2 VAL 16 -2.182 -8.419 -10.455 55 H SER 17 H SER 17 -2.129 -10.308 -15.260 56 HA SER 17 HA SER 17 -3.379 -8.185 -16.861 57 HB2 SER 17 2HB SER 17 -0.880 -9.084 -17.450 58 HB3 SER 17 3HB SER 17 -1.862 -10.204 -18.393 59 HG SER 17 HG SER 17 -2.363 -8.641 -19.710 60 H VAL 18 H VAL 18 -5.189 -8.773 -17.940 61 HA VAL 18 HA VAL 18 -5.873 -11.625 -18.082 62 HB VAL 18 HB VAL 18 -7.833 -9.517 -17.170 63 HG11 VAL 18 1HG1 VAL 18 -9.032 -11.245 -18.202 64 HG12 VAL 18 2HG1 VAL 18 -7.976 -12.494 -17.539 65 HG13 VAL 18 3HG1 VAL 18 -9.096 -11.631 -16.482 66 HG21 VAL 18 1HG2 VAL 18 -6.570 -9.650 -15.278 67 HG22 VAL 18 2HG2 VAL 18 -7.609 -11.050 -15.014 68 HG23 VAL 18 3HG2 VAL 18 -5.979 -11.269 -15.651 69 H GLN 19 H GLN 19 -6.972 -12.232 -19.887 70 HA GLN 19 HA GLN 19 -7.504 -10.115 -21.859 71 HB2 GLN 19 2HB GLN 19 -6.201 -12.693 -22.027 72 HB3 GLN 19 3HB GLN 19 -7.530 -12.588 -23.173 73 HG2 GLN 19 2HG GLN 19 -6.214 -11.464 -24.541 74 HG3 GLN 19 3HG GLN 19 -6.144 -10.158 -23.360 75 HE21 GLN 19 1HE2 GLN 19 -4.444 -12.658 -24.916 76 HE22 GLN 19 2HE2 GLN 19 -2.940 -12.473 -24.086 77 H CYS 20 H CYS 20 -9.476 -9.919 -22.789 78 HA CYS 20 HA CYS 20 -11.508 -11.949 -22.184 79 HB2 CYS 20 2HB CYS 20 -12.038 -8.984 -21.970 80 HB3 CYS 20 3HB CYS 20 -13.120 -10.299 -21.530 81 HG CYS 20 HG CYS 20 -11.402 -11.164 -19.413 82 H CYS 21 H CYS 21 -13.219 -12.088 -23.678 83 HA CYS 21 HA CYS 21 -12.552 -11.731 -26.350 84 HB2 CYS 21 2HB CYS 21 -14.866 -12.293 -26.857 85 HB3 CYS 21 3HB CYS 21 -14.275 -13.308 -25.548 86 HG CYS 21 HG CYS 21 -16.308 -12.847 -24.065 87 H GLU 22 H GLU 22 -13.966 -9.520 -24.096 88 HA GLU 22 HA GLU 22 -14.878 -7.695 -26.160 89 HB2 GLU 22 2HB GLU 22 -15.825 -8.160 -23.697 90 HB3 GLU 22 3HB GLU 22 -14.727 -6.840 -23.319 91 HG2 GLU 22 2HG GLU 22 -16.591 -5.636 -23.751 92 HG3 GLU 22 3HG GLU 22 -15.940 -5.723 -25.386 93 H GLY 23 H GLY 23 -12.078 -8.230 -24.222 94 HA2 GLY 23 2HA GLY 23 -10.324 -6.677 -25.588 95 HA3 GLY 23 3HA GLY 23 -11.052 -5.544 -24.459 96 H ARG 24 H ARG 24 -8.555 -5.610 -24.026 97 HA ARG 24 HA ARG 24 -7.994 -7.677 -22.009 98 HB2 ARG 24 2HB ARG 24 -5.627 -7.121 -22.314 99 HB3 ARG 24 3HB ARG 24 -6.374 -7.580 -23.839 100 HG2 ARG 24 2HG ARG 24 -6.620 -5.156 -24.366 101 HG3 ARG 24 3HG ARG 24 -5.685 -4.803 -22.912 102 HD2 ARG 24 2HD ARG 24 -3.775 -5.951 -23.782 103 HD3 ARG 24 3HD ARG 24 -4.703 -6.562 -25.151 104 HE ARG 24 HE ARG 24 -4.794 -3.762 -25.185 105 HH11 ARG 24 1HH1 ARG 24 -2.519 -6.360 -25.633 106 HH12 ARG 24 2HH1 ARG 24 -1.515 -5.466 -26.726 107 HH21 ARG 24 1HH2 ARG 24 -3.480 -2.576 -26.623 108 HH22 ARG 24 2HH2 ARG 24 -2.062 -3.313 -27.288 109 H PHE 25 H PHE 25 -7.446 -7.130 -19.941 110 HA PHE 25 HA PHE 25 -7.226 -4.295 -19.252 111 HB2 PHE 25 2HB PHE 25 -9.629 -5.153 -18.998 112 HB3 PHE 25 3HB PHE 25 -9.018 -6.123 -17.662 113 HD1 PHE 25 HD1 PHE 25 -9.322 -5.250 -15.572 114 HD2 PHE 25 HD2 PHE 25 -8.776 -2.590 -18.849 115 HE1 PHE 25 HE1 PHE 25 -9.592 -3.332 -14.055 116 HE2 PHE 25 HE2 PHE 25 -9.045 -0.667 -17.338 117 HZ PHE 25 HZ PHE 25 -9.452 -1.037 -14.937 118 H GLU 26 H GLU 26 -5.731 -3.896 -17.731 119 HA GLU 26 HA GLU 26 -4.634 -6.203 -16.260 120 HB2 GLU 26 2HB GLU 26 -2.458 -4.973 -16.280 121 HB3 GLU 26 3HB GLU 26 -3.007 -5.489 -17.869 122 HG2 GLU 26 2HG GLU 26 -3.699 -3.279 -18.430 123 HG3 GLU 26 3HG GLU 26 -3.426 -2.718 -16.782 124 H LEU 27 H LEU 27 -3.876 -5.831 -14.131 125 HA LEU 27 HA LEU 27 -4.509 -3.268 -12.895 126 HB2 LEU 27 2HB LEU 27 -6.331 -5.337 -12.800 127 HB3 LEU 27 3HB LEU 27 -5.461 -5.493 -11.275 128 HG LEU 27 HG LEU 27 -5.985 -2.948 -11.037 129 HD11 LEU 27 1HD1 LEU 27 -7.166 -3.402 -13.497 130 HD12 LEU 27 2HD1 LEU 27 -7.415 -2.003 -12.453 131 HD13 LEU 27 3HD1 LEU 27 -8.521 -3.374 -12.368 132 HD21 LEU 27 1HD2 LEU 27 -7.645 -3.522 -9.588 133 HD22 LEU 27 2HD2 LEU 27 -6.960 -5.121 -9.876 134 HD23 LEU 27 3HD2 LEU 27 -8.419 -4.619 -10.732 135 H SER 28 H SER 28 -3.741 -3.175 -10.616 136 HA SER 28 HA SER 28 -1.524 -5.037 -10.104 137 HB2 SER 28 2HB SER 28 -1.237 -2.340 -10.864 138 HB3 SER 28 3HB SER 28 -0.890 -2.394 -9.136 139 HG SER 28 HG SER 28 0.948 -2.803 -10.517 140 H VAL 29 H VAL 29 -1.661 -5.928 -8.161 141 HA VAL 29 HA VAL 29 -2.687 -4.382 -5.909 142 HB VAL 29 HB VAL 29 -3.791 -7.125 -6.508 143 HG11 VAL 29 1HG1 VAL 29 -4.145 -5.126 -4.333 144 HG12 VAL 29 2HG1 VAL 29 -5.526 -6.120 -4.800 145 HG13 VAL 29 3HG1 VAL 29 -4.036 -6.883 -4.245 146 HG21 VAL 29 1HG2 VAL 29 -5.143 -4.456 -6.890 147 HG22 VAL 29 2HG2 VAL 29 -4.549 -5.491 -8.189 148 HG23 VAL 29 3HG2 VAL 29 -5.864 -6.044 -7.153 149 H ASP 30 H ASP 30 -2.074 -5.200 -3.864 150 HA ASP 30 HA ASP 30 0.443 -6.558 -3.873 151 HB2 ASP 30 2HB ASP 30 -1.337 -5.706 -1.580 152 HB3 ASP 30 3HB ASP 30 0.304 -6.320 -1.404 153 H SER 31 H SER 31 0.947 -8.607 -3.226 154 HA SER 31 HA SER 31 -1.204 -10.535 -3.295 155 HB2 SER 31 2HB SER 31 1.700 -10.567 -3.652 156 HB3 SER 31 3HB SER 31 1.103 -11.952 -2.738 157 HG SER 31 HG SER 31 -0.550 -11.957 -4.583 158 H ASN 32 H ASN 32 -2.084 -11.570 -1.613 159 HA ASN 32 HA ASN 32 -0.801 -12.154 0.814 160 HB2 ASN 32 2HB ASN 32 -1.907 -10.595 2.334 161 HB3 ASN 32 3HB ASN 32 -0.938 -9.713 1.157 162 HD21 ASN 32 1HD2 ASN 32 -2.154 -8.983 -0.807 163 HD22 ASN 32 2HD2 ASN 32 -3.747 -8.364 -0.557 164 H HIS 33 H HIS 33 -3.899 -11.357 -0.700 165 HA HIS 33 HA HIS 33 -5.256 -13.374 0.914 166 HB2 HIS 33 2HB HIS 33 -6.053 -10.929 -0.190 167 HB3 HIS 33 3HB HIS 33 -6.895 -12.150 -1.139 168 HD1 HIS 33 HD1 HIS 33 -8.164 -10.130 1.010 169 HD2 HIS 33 HD2 HIS 33 -7.379 -14.176 1.538 170 HE1 HIS 33 HE1 HIS 33 -9.710 -10.881 2.846 171 H THR 34 H THR 34 -6.938 -14.708 -0.382 172 HA THR 34 HA THR 34 -5.463 -16.349 -2.200 173 HB THR 34 HB THR 34 -7.351 -17.802 -2.234 174 HG1 THR 34 HG1 THR 34 -8.903 -15.786 -0.959 175 HG21 THR 34 1HG2 THR 34 -7.842 -18.108 0.150 176 HG22 THR 34 2HG2 THR 34 -7.193 -16.503 0.489 177 HG23 THR 34 3HG2 THR 34 -6.131 -17.775 -0.115 178 H LEU 35 H LEU 35 -6.563 -17.093 -4.287 179 HA LEU 35 HA LEU 35 -6.577 -15.044 -6.140 180 HB2 LEU 35 2HB LEU 35 -6.459 -17.617 -6.434 181 HB3 LEU 35 3HB LEU 35 -8.213 -17.514 -6.568 182 HG LEU 35 HG LEU 35 -7.433 -15.642 -8.380 183 HD11 LEU 35 1HD1 LEU 35 -5.355 -17.822 -8.366 184 HD12 LEU 35 2HD1 LEU 35 -5.094 -16.086 -8.204 185 HD13 LEU 35 3HD1 LEU 35 -5.658 -16.752 -9.736 186 HD21 LEU 35 1HD2 LEU 35 -9.070 -17.128 -9.035 187 HD22 LEU 35 2HD2 LEU 35 -8.123 -18.542 -8.572 188 HD23 LEU 35 3HD2 LEU 35 -7.707 -17.640 -10.030 189 H ARG 36 H ARG 36 -9.169 -16.228 -4.144 190 HA ARG 36 HA ARG 36 -11.408 -15.344 -5.497 191 HB2 ARG 36 2HB ARG 36 -10.826 -16.289 -2.916 192 HB3 ARG 36 3HB ARG 36 -11.655 -14.755 -2.683 193 HG2 ARG 36 2HG ARG 36 -13.618 -15.640 -3.216 194 HG3 ARG 36 3HG ARG 36 -12.968 -16.368 -4.687 195 HD2 ARG 36 2HD ARG 36 -12.384 -18.336 -3.606 196 HD3 ARG 36 3HD ARG 36 -12.374 -17.575 -2.015 197 HE ARG 36 HE ARG 36 -14.965 -17.635 -3.265 198 HH11 ARG 36 1HH1 ARG 36 -12.697 -19.368 -1.271 199 HH12 ARG 36 2HH1 ARG 36 -13.910 -20.347 -0.516 200 HH21 ARG 36 1HH2 ARG 36 -16.571 -18.918 -2.278 201 HH22 ARG 36 2HH2 ARG 36 -16.114 -20.091 -1.090 202 H ASP 37 H ASP 37 -9.015 -13.508 -3.745 203 HA ASP 37 HA ASP 37 -10.547 -11.084 -3.649 204 HB2 ASP 37 2HB ASP 37 -8.696 -11.680 -2.047 205 HB3 ASP 37 3HB ASP 37 -7.554 -11.384 -3.355 206 H VAL 38 H VAL 38 -7.838 -12.262 -5.624 207 HA VAL 38 HA VAL 38 -7.570 -9.963 -7.223 208 HB VAL 38 HB VAL 38 -6.939 -12.816 -7.993 209 HG11 VAL 38 1HG1 VAL 38 -6.750 -11.668 -9.975 210 HG12 VAL 38 2HG1 VAL 38 -6.296 -10.158 -9.182 211 HG13 VAL 38 3HG1 VAL 38 -5.125 -11.470 -9.319 212 HG21 VAL 38 1HG2 VAL 38 -5.512 -12.695 -6.267 213 HG22 VAL 38 2HG2 VAL 38 -4.568 -11.647 -7.326 214 HG23 VAL 38 3HG2 VAL 38 -5.664 -10.943 -6.137 215 H LEU 39 H LEU 39 -9.500 -12.902 -7.631 216 HA LEU 39 HA LEU 39 -10.478 -12.226 -10.214 217 HB2 LEU 39 2HB LEU 39 -10.401 -14.520 -9.127 218 HB3 LEU 39 3HB LEU 39 -11.834 -14.028 -8.227 219 HG LEU 39 HG LEU 39 -12.730 -13.538 -10.685 220 HD11 LEU 39 1HD1 LEU 39 -11.795 -14.725 -12.374 221 HD12 LEU 39 2HD1 LEU 39 -11.217 -16.004 -11.307 222 HD13 LEU 39 3HD1 LEU 39 -10.342 -14.476 -11.405 223 HD21 LEU 39 1HD2 LEU 39 -13.995 -15.475 -10.491 224 HD22 LEU 39 2HD2 LEU 39 -13.518 -15.146 -8.825 225 HD23 LEU 39 3HD2 LEU 39 -12.674 -16.385 -9.756 226 H ARG 40 H ARG 40 -11.611 -11.662 -6.935 227 HA ARG 40 HA ARG 40 -14.213 -10.816 -7.501 228 HB2 ARG 40 2HB ARG 40 -12.323 -10.552 -5.259 229 HB3 ARG 40 3HB ARG 40 -13.532 -9.278 -5.351 230 HG2 ARG 40 2HG ARG 40 -14.809 -11.796 -5.750 231 HG3 ARG 40 3HG ARG 40 -13.809 -11.872 -4.298 232 HD2 ARG 40 2HD ARG 40 -14.878 -9.703 -3.590 233 HD3 ARG 40 3HD ARG 40 -16.004 -9.911 -4.931 234 HE ARG 40 HE ARG 40 -15.855 -12.174 -3.158 235 HH11 ARG 40 1HH1 ARG 40 -17.381 -9.110 -3.790 236 HH12 ARG 40 2HH1 ARG 40 -18.805 -9.483 -2.876 237 HH21 ARG 40 1HH2 ARG 40 -17.725 -12.678 -1.953 238 HH22 ARG 40 2HH2 ARG 40 -19.000 -11.512 -1.831 239 H GLN 41 H GLN 41 -11.193 -8.960 -7.306 240 HA GLN 41 HA GLN 41 -12.400 -6.451 -7.864 241 HB2 GLN 41 2HB GLN 41 -9.939 -7.250 -6.984 242 HB3 GLN 41 3HB GLN 41 -9.581 -6.768 -8.637 243 HG2 GLN 41 2HG GLN 41 -9.935 -4.583 -8.226 244 HG3 GLN 41 3HG GLN 41 -11.234 -4.896 -7.076 245 HE21 GLN 41 1HE2 GLN 41 -7.908 -6.084 -7.100 246 HE22 GLN 41 2HE2 GLN 41 -7.458 -5.383 -5.587 247 H PHE 42 H PHE 42 -10.461 -8.658 -9.880 248 HA PHE 42 HA PHE 42 -10.600 -7.232 -12.259 249 HB2 PHE 42 2HB PHE 42 -10.104 -10.059 -11.519 250 HB3 PHE 42 3HB PHE 42 -10.554 -9.760 -13.195 251 HD1 PHE 42 HD1 PHE 42 -9.263 -7.454 -14.060 252 HD2 PHE 42 HD2 PHE 42 -7.852 -10.307 -11.234 253 HE1 PHE 42 HE1 PHE 42 -6.945 -6.805 -14.567 254 HE2 PHE 42 HE2 PHE 42 -5.532 -9.662 -11.736 255 HZ PHE 42 HZ PHE 42 -5.076 -7.908 -13.403 256 H LYS 43 H LYS 43 -12.863 -9.577 -10.898 257 HA LYS 43 HA LYS 43 -14.592 -9.622 -13.162 258 HB2 LYS 43 2HB LYS 43 -14.641 -11.493 -11.675 259 HB3 LYS 43 3HB LYS 43 -14.965 -10.462 -10.288 260 HG2 LYS 43 2HG LYS 43 -16.939 -10.362 -12.478 261 HG3 LYS 43 3HG LYS 43 -16.853 -11.866 -11.558 262 HD2 LYS 43 2HD LYS 43 -17.019 -9.201 -10.187 263 HD3 LYS 43 3HD LYS 43 -18.469 -10.039 -10.747 264 HE2 LYS 43 2HE LYS 43 -18.355 -11.583 -9.116 265 HE3 LYS 43 3HE LYS 43 -16.599 -11.706 -9.218 266 HZ1 LYS 43 1HZ LYS 43 -16.427 -10.442 -7.427 267 HZ2 LYS 43 2HZ LYS 43 -18.112 -10.371 -7.298 268 HZ3 LYS 43 3HZ LYS 43 -17.280 -9.188 -8.176 269 H ARG 44 H ARG 44 -14.316 -7.616 -10.327 270 HA ARG 44 HA ARG 44 -16.912 -6.440 -10.521 271 HB2 ARG 44 2HB ARG 44 -15.543 -6.512 -8.429 272 HB3 ARG 44 3HB ARG 44 -14.456 -5.334 -9.152 273 HG2 ARG 44 2HG ARG 44 -15.752 -3.874 -8.039 274 HG3 ARG 44 3HG ARG 44 -16.789 -4.043 -9.457 275 HD2 ARG 44 2HD ARG 44 -17.090 -5.890 -7.120 276 HD3 ARG 44 3HD ARG 44 -17.820 -4.285 -7.091 277 HE ARG 44 HE ARG 44 -18.664 -5.309 -9.449 278 HH11 ARG 44 1HH1 ARG 44 -18.740 -6.470 -6.168 279 HH12 ARG 44 2HH1 ARG 44 -20.196 -7.383 -6.387 280 HH21 ARG 44 1HH2 ARG 44 -20.581 -6.508 -9.750 281 HH22 ARG 44 2HH2 ARG 44 -21.242 -7.405 -8.425 282 H GLU 45 H GLU 45 -13.854 -5.884 -12.033 283 HA GLU 45 HA GLU 45 -14.693 -3.264 -13.027 284 HB2 GLU 45 2HB GLU 45 -12.069 -4.734 -13.332 285 HB3 GLU 45 3HB GLU 45 -12.397 -3.114 -13.931 286 HG2 GLU 45 2HG GLU 45 -12.978 -3.439 -11.094 287 HG3 GLU 45 3HG GLU 45 -11.290 -3.733 -11.509 288 H VAL 46 H VAL 46 -13.848 -6.497 -14.164 289 HA VAL 46 HA VAL 46 -13.913 -6.054 -16.910 290 HB VAL 46 HB VAL 46 -13.289 -8.196 -15.606 291 HG11 VAL 46 1HG1 VAL 46 -14.906 -9.766 -15.126 292 HG12 VAL 46 2HG1 VAL 46 -15.744 -8.267 -14.721 293 HG13 VAL 46 3HG1 VAL 46 -16.068 -9.072 -16.257 294 HG21 VAL 46 1HG2 VAL 46 -13.998 -7.688 -18.277 295 HG22 VAL 46 2HG2 VAL 46 -12.965 -8.979 -17.661 296 HG23 VAL 46 3HG2 VAL 46 -14.695 -9.256 -17.869 297 H ALA 47 H ALA 47 -16.502 -6.245 -14.611 298 HA ALA 47 HA ALA 47 -18.611 -6.812 -16.420 299 HB1 ALA 47 1HB ALA 47 -20.017 -5.744 -14.546 300 HB2 ALA 47 2HB ALA 47 -19.125 -7.224 -14.189 301 HB3 ALA 47 3HB ALA 47 -18.497 -5.665 -13.655 302 H ALA 48 H ALA 48 -16.719 -4.042 -15.922 303 HA ALA 48 HA ALA 48 -18.604 -2.012 -16.501 304 HB1 ALA 48 1HB ALA 48 -16.565 -0.661 -17.084 305 HB2 ALA 48 2HB ALA 48 -16.562 -1.377 -15.472 306 HB3 ALA 48 3HB ALA 48 -15.607 -2.107 -16.763 307 H LEU 49 H LEU 49 -16.624 -4.100 -18.510 308 HA LEU 49 HA LEU 49 -17.783 -2.835 -20.904 309 HB2 LEU 49 2HB LEU 49 -15.412 -4.639 -21.027 310 HB3 LEU 49 3HB LEU 49 -15.879 -3.329 -22.109 311 HG LEU 49 HG LEU 49 -14.607 -3.085 -19.387 312 HD11 LEU 49 1HD1 LEU 49 -13.142 -3.680 -21.305 313 HD12 LEU 49 2HD1 LEU 49 -12.759 -2.124 -20.569 314 HD13 LEU 49 3HD1 LEU 49 -13.641 -2.185 -22.095 315 HD21 LEU 49 1HD2 LEU 49 -14.601 -0.579 -20.385 316 HD22 LEU 49 2HD2 LEU 49 -15.817 -1.189 -19.262 317 HD23 LEU 49 3HD2 LEU 49 -16.151 -1.160 -20.994 318 H ASP 50 H ASP 50 -17.475 -5.742 -19.076 319 HA ASP 50 HA ASP 50 -18.664 -7.335 -21.230 320 HB2 ASP 50 2HB ASP 50 -16.650 -8.187 -19.971 321 HB3 ASP 50 3HB ASP 50 -17.677 -8.308 -18.545 322 HA PRO 51 HA PRO 51 -22.520 -6.449 -19.053 323 HB2 PRO 51 2HB PRO 51 -24.110 -7.285 -21.089 324 HB3 PRO 51 3HB PRO 51 -23.354 -5.688 -21.054 325 HG2 PRO 51 2HG PRO 51 -22.492 -8.161 -22.504 326 HG3 PRO 51 3HG PRO 51 -22.529 -6.484 -23.078 327 HD2 PRO 51 2HD PRO 51 -20.253 -7.685 -22.236 328 HD3 PRO 51 3HD PRO 51 -20.550 -5.948 -22.026 329 H ILE 52 H ILE 52 -21.500 -9.406 -20.651 330 HA ILE 52 HA ILE 52 -23.550 -11.089 -19.673 331 HB ILE 52 HB ILE 52 -20.728 -11.878 -20.405 332 HG12 ILE 52 2HG1 ILE 52 -23.200 -11.727 -22.146 333 HG13 ILE 52 3HG1 ILE 52 -21.843 -10.607 -22.207 334 HG21 ILE 52 1HG2 ILE 52 -21.898 -13.619 -19.202 335 HG22 ILE 52 2HG2 ILE 52 -23.289 -13.463 -20.273 336 HG23 ILE 52 3HG2 ILE 52 -21.756 -14.065 -20.902 337 HD11 ILE 52 1HD1 ILE 52 -20.375 -12.488 -22.838 338 HD12 ILE 52 2HD1 ILE 52 -21.792 -13.537 -22.879 339 HD13 ILE 52 3HD1 ILE 52 -21.665 -12.184 -24.002 340 H ASN 53 H ASN 53 -23.587 -12.514 -17.933 341 HA ASN 53 HA ASN 53 -22.403 -11.583 -15.540 342 HB2 ASN 53 2HB ASN 53 -24.293 -13.648 -16.329 343 HB3 ASN 53 3HB ASN 53 -23.224 -14.199 -15.041 344 HD21 ASN 53 1HD2 ASN 53 -25.146 -14.258 -13.741 345 HD22 ASN 53 2HD2 ASN 53 -25.728 -12.808 -13.003 346 H LEU 54 H LEU 54 -20.840 -12.553 -14.205 347 HA LEU 54 HA LEU 54 -18.604 -13.631 -15.580 348 HB2 LEU 54 2HB LEU 54 -17.566 -13.780 -13.387 349 HB3 LEU 54 3HB LEU 54 -18.356 -12.221 -13.616 350 HG LEU 54 HG LEU 54 -20.037 -14.205 -12.276 351 HD11 LEU 54 1HD1 LEU 54 -17.293 -13.811 -11.387 352 HD12 LEU 54 2HD1 LEU 54 -18.486 -15.011 -10.891 353 HD13 LEU 54 3HD1 LEU 54 -18.488 -13.409 -10.153 354 HD21 LEU 54 1HD2 LEU 54 -19.827 -11.433 -12.514 355 HD22 LEU 54 2HD2 LEU 54 -19.439 -11.786 -10.830 356 HD23 LEU 54 3HD2 LEU 54 -20.968 -12.336 -11.517 357 H GLU 55 H GLU 55 -21.287 -15.032 -13.884 358 HA GLU 55 HA GLU 55 -20.086 -17.612 -13.518 359 HB2 GLU 55 2HB GLU 55 -22.036 -16.553 -12.192 360 HB3 GLU 55 3HB GLU 55 -23.045 -17.083 -13.531 361 HG2 GLU 55 2HG GLU 55 -22.329 -19.391 -13.155 362 HG3 GLU 55 3HG GLU 55 -21.331 -18.855 -11.804 363 H GLU 56 H GLU 56 -21.317 -15.984 -16.177 364 HA GLU 56 HA GLU 56 -22.370 -18.309 -17.543 365 HB2 GLU 56 2HB GLU 56 -21.898 -15.466 -18.447 366 HB3 GLU 56 3HB GLU 56 -22.583 -16.718 -19.474 367 HG2 GLU 56 2HG GLU 56 -24.386 -16.993 -17.739 368 HG3 GLU 56 3HG GLU 56 -23.760 -15.531 -16.980 369 H TYR 57 H TYR 57 -19.408 -16.473 -17.408 370 HA TYR 57 HA TYR 57 -18.217 -18.346 -19.346 371 HB2 TYR 57 2HB TYR 57 -16.709 -16.554 -20.073 372 HB3 TYR 57 3HB TYR 57 -18.392 -16.104 -20.327 373 HD1 TYR 57 HD1 TYR 57 -15.486 -15.600 -18.079 374 HD2 TYR 57 HD2 TYR 57 -19.286 -14.159 -19.338 375 HE1 TYR 57 HE1 TYR 57 -15.116 -13.528 -16.806 376 HE2 TYR 57 HE2 TYR 57 -18.926 -12.083 -18.069 377 HH TYR 57 HH TYR 57 -16.171 -10.963 -17.118 378 H VAL 58 H VAL 58 -15.760 -18.414 -19.100 379 HA VAL 58 HA VAL 58 -14.932 -18.118 -16.300 380 HB VAL 58 HB VAL 58 -13.754 -20.356 -16.506 381 HG11 VAL 58 1HG1 VAL 58 -15.504 -20.422 -15.023 382 HG12 VAL 58 2HG1 VAL 58 -16.698 -19.971 -16.242 383 HG13 VAL 58 3HG1 VAL 58 -16.041 -21.608 -16.212 384 HG21 VAL 58 1HG2 VAL 58 -14.673 -21.960 -18.096 385 HG22 VAL 58 2HG2 VAL 58 -15.706 -20.706 -18.781 386 HG23 VAL 58 3HG2 VAL 58 -13.954 -20.587 -18.937 387 H VAL 59 H VAL 59 -12.573 -18.291 -16.017 388 HA VAL 59 HA VAL 59 -11.078 -17.606 -18.460 389 HB VAL 59 HB VAL 59 -11.575 -15.558 -17.145 390 HG11 VAL 59 1HG1 VAL 59 -9.661 -16.460 -15.046 391 HG12 VAL 59 2HG1 VAL 59 -10.935 -15.242 -14.962 392 HG13 VAL 59 3HG1 VAL 59 -11.350 -16.956 -14.937 393 HG21 VAL 59 1HG2 VAL 59 -9.699 -15.285 -18.457 394 HG22 VAL 59 2HG2 VAL 59 -9.056 -14.937 -16.851 395 HG23 VAL 59 3HG2 VAL 59 -8.781 -16.515 -17.588 396 H ASN 60 H ASN 60 -9.134 -18.564 -18.684 397 HA ASN 60 HA ASN 60 -8.293 -20.382 -16.541 398 HB2 ASN 60 2HB ASN 60 -7.119 -21.638 -18.230 399 HB3 ASN 60 3HB ASN 60 -8.751 -21.324 -18.814 400 HD21 ASN 60 1HD2 ASN 60 -5.393 -20.352 -19.067 401 HD22 ASN 60 2HD2 ASN 60 -5.518 -19.655 -20.643 402 H HIS 61 H HIS 61 -6.292 -20.288 -15.631 403 HA HIS 61 HA HIS 61 -4.613 -17.997 -16.409 404 HB2 HIS 61 2HB HIS 61 -3.701 -18.308 -14.009 405 HB3 HIS 61 3HB HIS 61 -5.292 -17.578 -14.209 406 HD1 HIS 61 HD1 HIS 61 -7.297 -18.848 -13.285 407 HD2 HIS 61 HD2 HIS 61 -3.721 -20.935 -12.941 408 HE1 HIS 61 HE1 HIS 61 -7.799 -20.800 -11.780 409 H GLU 62 H GLU 62 -2.876 -18.582 -17.521 410 HA GLU 62 HA GLU 62 -1.085 -19.762 -18.284 411 HB2 GLU 62 2HB GLU 62 -0.820 -19.518 -15.536 412 HB3 GLU 62 3HB GLU 62 -0.539 -21.229 -15.824 413 HG2 GLU 62 2HG GLU 62 1.006 -20.223 -17.752 414 HG3 GLU 62 3HG GLU 62 1.069 -18.881 -16.610 415 H GLY 63 H GLY 63 -3.693 -20.990 -18.524 416 HA2 GLY 63 2HA GLY 63 -4.378 -22.976 -19.518 417 HA3 GLY 63 3HA GLY 63 -2.811 -23.673 -19.139 418 H LYS 64 H LYS 64 -4.283 -22.184 -16.476 419 HA LYS 64 HA LYS 64 -5.263 -24.793 -15.514 420 HB2 LYS 64 2HB LYS 64 -3.357 -22.922 -14.357 421 HB3 LYS 64 3HB LYS 64 -4.680 -23.279 -13.254 422 HG2 LYS 64 2HG LYS 64 -4.019 -25.407 -12.934 423 HG3 LYS 64 3HG LYS 64 -3.475 -25.604 -14.601 424 HD2 LYS 64 2HD LYS 64 -1.496 -24.204 -14.064 425 HD3 LYS 64 3HD LYS 64 -2.025 -24.164 -12.381 426 HE2 LYS 64 2HE LYS 64 -1.997 -26.723 -12.515 427 HE3 LYS 64 3HE LYS 64 -1.068 -26.508 -13.997 428 HZ1 LYS 64 1HZ LYS 64 0.736 -26.263 -12.764 429 HZ2 LYS 64 2HZ LYS 64 -0.166 -26.406 -11.341 430 HZ3 LYS 64 3HZ LYS 64 0.075 -24.884 -12.041 431 H LEU 65 H LEU 65 -7.341 -24.864 -14.978 432 HA LEU 65 HA LEU 65 -8.747 -22.319 -14.503 433 HB2 LEU 65 2HB LEU 65 -9.391 -24.696 -16.086 434 HB3 LEU 65 3HB LEU 65 -10.710 -24.140 -15.058 435 HG LEU 65 HG LEU 65 -9.417 -22.035 -16.650 436 HD11 LEU 65 1HD1 LEU 65 -10.972 -22.887 -18.606 437 HD12 LEU 65 2HD1 LEU 65 -10.588 -24.459 -17.905 438 HD13 LEU 65 3HD1 LEU 65 -9.291 -23.405 -18.468 439 HD21 LEU 65 1HD2 LEU 65 -12.319 -22.791 -16.507 440 HD22 LEU 65 2HD2 LEU 65 -11.602 -21.209 -16.816 441 HD23 LEU 65 3HD2 LEU 65 -11.518 -21.916 -15.202 442 H LEU 66 H LEU 66 -9.225 -22.008 -12.439 443 HA LEU 66 HA LEU 66 -9.610 -24.322 -10.685 444 HB2 LEU 66 2HB LEU 66 -8.121 -22.112 -10.312 445 HB3 LEU 66 3HB LEU 66 -9.631 -21.586 -9.572 446 HG LEU 66 HG LEU 66 -9.524 -23.614 -8.109 447 HD11 LEU 66 1HD1 LEU 66 -8.024 -25.205 -8.460 448 HD12 LEU 66 2HD1 LEU 66 -6.707 -24.042 -8.315 449 HD13 LEU 66 3HD1 LEU 66 -7.460 -24.330 -9.884 450 HD21 LEU 66 1HD2 LEU 66 -8.494 -21.189 -7.720 451 HD22 LEU 66 2HD2 LEU 66 -7.006 -22.129 -7.623 452 HD23 LEU 66 3HD2 LEU 66 -8.346 -22.483 -6.531 453 H LEU 67 H LEU 67 -11.374 -24.349 -9.166 454 HA LEU 67 HA LEU 67 -13.696 -22.741 -9.990 455 HB2 LEU 67 2HB LEU 67 -13.407 -25.681 -9.793 456 HB3 LEU 67 3HB LEU 67 -14.916 -24.986 -9.205 457 HG LEU 67 HG LEU 67 -13.894 -24.375 -11.960 458 HD11 LEU 67 1HD1 LEU 67 -15.111 -26.219 -12.853 459 HD12 LEU 67 2HD1 LEU 67 -15.732 -26.655 -11.261 460 HD13 LEU 67 3HD1 LEU 67 -14.017 -26.849 -11.621 461 HD21 LEU 67 1HD2 LEU 67 -16.744 -24.634 -11.567 462 HD22 LEU 67 2HD2 LEU 67 -15.810 -23.269 -12.181 463 HD23 LEU 67 3HD2 LEU 67 -16.043 -23.469 -10.444 464 H ASP 68 H ASP 68 -11.614 -23.122 -7.627 465 HA ASP 68 HA ASP 68 -13.641 -22.865 -5.502 466 HB2 ASP 68 2HB ASP 68 -11.202 -24.482 -5.645 467 HB3 ASP 68 3HB ASP 68 -11.307 -23.503 -4.184 468 H ASP 69 H ASP 69 -10.650 -21.674 -6.878 469 HA ASP 69 HA ASP 69 -9.426 -19.783 -6.524 470 HB2 ASP 69 2HB ASP 69 -11.926 -18.439 -5.550 471 HB3 ASP 69 3HB ASP 69 -10.641 -17.791 -6.565 472 H SER 70 H SER 70 -9.592 -21.615 -4.308 473 HA SER 70 HA SER 70 -9.698 -19.909 -1.946 474 HB2 SER 70 2HB SER 70 -9.925 -22.771 -2.474 475 HB3 SER 70 3HB SER 70 -8.866 -22.419 -1.110 476 HG SER 70 HG SER 70 -11.513 -21.445 -1.441 477 H VAL 71 H VAL 71 -7.398 -21.499 -4.017 478 HA VAL 71 HA VAL 71 -5.169 -21.180 -2.224 479 HB VAL 71 HB VAL 71 -3.798 -21.838 -4.207 480 HG11 VAL 71 1HG1 VAL 71 -5.913 -23.886 -4.138 481 HG12 VAL 71 2HG1 VAL 71 -4.188 -24.020 -3.792 482 HG13 VAL 71 3HG1 VAL 71 -5.288 -23.381 -2.569 483 HG21 VAL 71 1HG2 VAL 71 -5.695 -20.864 -5.758 484 HG22 VAL 71 2HG2 VAL 71 -4.673 -22.199 -6.292 485 HG23 VAL 71 3HG2 VAL 71 -6.294 -22.521 -5.676 486 H THR 72 H THR 72 -3.386 -19.786 -2.526 487 HA THR 72 HA THR 72 -4.121 -17.161 -3.439 488 HB THR 72 HB THR 72 -2.152 -16.374 -2.448 489 HG1 THR 72 HG1 THR 72 -0.360 -17.745 -2.035 490 HG21 THR 72 1HG2 THR 72 -3.827 -17.862 -0.974 491 HG22 THR 72 2HG2 THR 72 -2.422 -17.042 -0.292 492 HG23 THR 72 3HG2 THR 72 -2.332 -18.756 -0.699 493 H LEU 73 H LEU 73 -1.918 -16.046 -4.495 494 HA LEU 73 HA LEU 73 -2.000 -16.911 -7.197 495 HB2 LEU 73 2HB LEU 73 -0.848 -14.717 -5.675 496 HB3 LEU 73 3HB LEU 73 0.198 -15.251 -6.990 497 HG LEU 73 HG LEU 73 -2.153 -15.041 -8.301 498 HD11 LEU 73 1HD1 LEU 73 -2.340 -12.537 -6.794 499 HD12 LEU 73 2HD1 LEU 73 -2.840 -13.971 -5.899 500 HD13 LEU 73 3HD1 LEU 73 -3.611 -13.579 -7.435 501 HD21 LEU 73 1HD2 LEU 73 0.176 -13.274 -7.874 502 HD22 LEU 73 2HD2 LEU 73 -1.232 -12.549 -8.650 503 HD23 LEU 73 3HD2 LEU 73 -0.466 -13.970 -9.362 504 H GLN 74 H GLN 74 0.602 -16.937 -4.764 505 HA GLN 74 HA GLN 74 2.394 -18.403 -6.439 506 HB2 GLN 74 2HB GLN 74 2.464 -17.140 -3.837 507 HB3 GLN 74 3HB GLN 74 3.227 -18.724 -3.785 508 HG2 GLN 74 2HG GLN 74 4.462 -17.904 -5.918 509 HG3 GLN 74 3HG GLN 74 3.999 -16.303 -5.344 510 HE21 GLN 74 1HE2 GLN 74 5.430 -15.339 -4.110 511 HE22 GLN 74 2HE2 GLN 74 6.615 -16.113 -3.120 512 H THR 75 H THR 75 -0.007 -19.227 -4.050 513 HA THR 75 HA THR 75 0.782 -21.825 -3.410 514 HB THR 75 HB THR 75 -2.019 -20.705 -3.627 515 HG1 THR 75 HG1 THR 75 -0.253 -21.020 -1.408 516 HG21 THR 75 1HG2 THR 75 -2.611 -22.552 -2.066 517 HG22 THR 75 2HG2 THR 75 -1.003 -23.231 -2.321 518 HG23 THR 75 3HG2 THR 75 -2.135 -23.113 -3.668 519 H VAL 76 H VAL 76 -1.100 -20.608 -6.138 520 HA VAL 76 HA VAL 76 -1.590 -23.257 -7.182 521 HB VAL 76 HB VAL 76 -3.258 -21.500 -7.521 522 HG11 VAL 76 1HG1 VAL 76 -1.039 -20.145 -9.036 523 HG12 VAL 76 2HG1 VAL 76 -2.740 -19.714 -9.229 524 HG13 VAL 76 3HG1 VAL 76 -1.954 -19.528 -7.661 525 HG21 VAL 76 1HG2 VAL 76 -3.838 -22.107 -9.675 526 HG22 VAL 76 2HG2 VAL 76 -2.170 -22.071 -10.247 527 HG23 VAL 76 3HG2 VAL 76 -2.723 -23.396 -9.222 528 H GLY 77 H GLY 77 0.769 -20.745 -7.565 529 HA2 GLY 77 2HA GLY 77 2.916 -21.160 -8.487 530 HA3 GLY 77 3HA GLY 77 2.224 -22.460 -9.446 531 H VAL 78 H VAL 78 0.846 -19.240 -9.191 532 HA VAL 78 HA VAL 78 0.687 -18.943 -12.005 533 HB VAL 78 HB VAL 78 -0.867 -17.859 -10.377 534 HG11 VAL 78 1HG1 VAL 78 1.092 -15.646 -10.023 535 HG12 VAL 78 2HG1 VAL 78 -0.264 -16.129 -9.002 536 HG13 VAL 78 3HG1 VAL 78 1.229 -17.069 -8.991 537 HG21 VAL 78 1HG2 VAL 78 -0.528 -17.148 -12.788 538 HG22 VAL 78 2HG2 VAL 78 -1.265 -15.957 -11.716 539 HG23 VAL 78 3HG2 VAL 78 0.437 -15.814 -12.155 540 H LYS 79 H LYS 79 1.730 -17.406 -13.350 541 HA LYS 79 HA LYS 79 4.534 -17.188 -12.882 542 HB2 LYS 79 2HB LYS 79 2.659 -16.572 -15.071 543 HB3 LYS 79 3HB LYS 79 4.081 -15.539 -15.005 544 HG2 LYS 79 2HG LYS 79 5.505 -17.553 -15.024 545 HG3 LYS 79 3HG LYS 79 4.055 -18.545 -15.187 546 HD2 LYS 79 2HD LYS 79 4.589 -18.350 -17.391 547 HD3 LYS 79 3HD LYS 79 3.629 -16.878 -17.220 548 HE2 LYS 79 2HE LYS 79 5.425 -15.526 -17.444 549 HE3 LYS 79 3HE LYS 79 6.491 -16.623 -16.567 550 HZ1 LYS 79 1HZ LYS 79 7.322 -17.229 -18.511 551 HZ2 LYS 79 2HZ LYS 79 6.191 -16.299 -19.356 552 HZ3 LYS 79 3HZ LYS 79 5.826 -17.895 -18.933 553 H LYS 80 H LYS 80 5.746 -15.148 -12.998 554 HA LYS 80 HA LYS 80 5.101 -13.379 -10.981 555 HB2 LYS 80 2HB LYS 80 7.354 -13.616 -11.955 556 HB3 LYS 80 3HB LYS 80 6.800 -12.812 -13.418 557 HG2 LYS 80 2HG LYS 80 6.387 -11.349 -10.889 558 HG3 LYS 80 3HG LYS 80 8.058 -11.551 -11.421 559 HD2 LYS 80 2HD LYS 80 6.768 -10.822 -13.735 560 HD3 LYS 80 3HD LYS 80 5.931 -9.869 -12.507 561 HE2 LYS 80 2HE LYS 80 7.652 -8.448 -12.982 562 HE3 LYS 80 3HE LYS 80 8.404 -9.398 -11.701 563 HZ1 LYS 80 1HZ LYS 80 9.854 -10.315 -13.121 564 HZ2 LYS 80 2HZ LYS 80 9.494 -8.991 -14.108 565 HZ3 LYS 80 3HZ LYS 80 8.722 -10.473 -14.368 566 H ASP 81 H ASP 81 4.582 -12.988 -14.473 567 HA ASP 81 HA ASP 81 3.290 -10.446 -14.173 568 HB2 ASP 81 2HB ASP 81 3.410 -12.339 -16.529 569 HB3 ASP 81 3HB ASP 81 2.765 -10.701 -16.585 570 H SER 82 H SER 82 2.292 -13.763 -14.172 571 HA SER 82 HA SER 82 0.264 -14.787 -13.995 572 HB2 SER 82 2HB SER 82 -0.826 -12.282 -12.749 573 HB3 SER 82 3HB SER 82 -1.127 -13.964 -12.311 574 HG SER 82 HG SER 82 0.763 -12.274 -11.389 575 H VAL 83 H VAL 83 -0.091 -14.769 -16.274 576 HA VAL 83 HA VAL 83 -2.059 -12.771 -17.179 577 HB VAL 83 HB VAL 83 -0.065 -12.705 -18.537 578 HG11 VAL 83 1HG1 VAL 83 -0.143 -15.240 -19.838 579 HG12 VAL 83 2HG1 VAL 83 1.173 -14.508 -18.918 580 HG13 VAL 83 3HG1 VAL 83 -0.034 -15.497 -18.097 581 HG21 VAL 83 1HG2 VAL 83 -2.316 -14.110 -19.973 582 HG22 VAL 83 2HG2 VAL 83 -2.187 -12.375 -19.683 583 HG23 VAL 83 3HG2 VAL 83 -1.031 -13.180 -20.743 584 H PHE 84 H PHE 84 -4.075 -13.455 -17.408 585 HA PHE 84 HA PHE 84 -4.541 -16.303 -18.003 586 HB2 PHE 84 2HB PHE 84 -6.746 -15.029 -16.598 587 HB3 PHE 84 3HB PHE 84 -5.906 -16.533 -16.236 588 HD1 PHE 84 HD1 PHE 84 -6.534 -13.231 -15.171 589 HD2 PHE 84 HD2 PHE 84 -3.579 -16.294 -15.108 590 HE1 PHE 84 HE1 PHE 84 -5.473 -12.163 -13.225 591 HE2 PHE 84 HE2 PHE 84 -2.514 -15.231 -13.162 592 HZ PHE 84 HZ PHE 84 -3.461 -13.163 -12.217 593 H VAL 85 H VAL 85 -5.993 -16.771 -19.574 594 HA VAL 85 HA VAL 85 -7.167 -14.482 -20.998 595 HB VAL 85 HB VAL 85 -5.674 -15.809 -22.371 596 HG11 VAL 85 1HG1 VAL 85 -6.728 -17.973 -20.930 597 HG12 VAL 85 2HG1 VAL 85 -7.199 -18.228 -22.612 598 HG13 VAL 85 3HG1 VAL 85 -5.498 -18.016 -22.194 599 HG21 VAL 85 1HG2 VAL 85 -6.993 -15.714 -24.196 600 HG22 VAL 85 2HG2 VAL 85 -8.239 -16.737 -23.479 601 HG23 VAL 85 3HG2 VAL 85 -8.164 -15.022 -23.073 602 H LEU 86 H LEU 86 -9.324 -14.442 -21.557 603 HA LEU 86 HA LEU 86 -11.027 -16.308 -20.067 604 HB2 LEU 86 2HB LEU 86 -11.121 -13.704 -19.916 605 HB3 LEU 86 3HB LEU 86 -12.034 -13.840 -21.417 606 HG LEU 86 HG LEU 86 -13.115 -15.632 -19.449 607 HD11 LEU 86 1HD1 LEU 86 -13.533 -12.858 -18.533 608 HD12 LEU 86 2HD1 LEU 86 -11.988 -13.599 -18.120 609 HD13 LEU 86 3HD1 LEU 86 -13.495 -14.366 -17.619 610 HD21 LEU 86 1HD2 LEU 86 -14.630 -13.242 -20.208 611 HD22 LEU 86 2HD2 LEU 86 -15.039 -14.949 -20.377 612 HD23 LEU 86 3HD2 LEU 86 -13.997 -14.169 -21.568 613 H VAL 87 H VAL 87 -12.433 -17.650 -21.048 614 HA VAL 87 HA VAL 87 -13.000 -17.307 -23.897 615 HB VAL 87 HB VAL 87 -11.104 -18.802 -23.913 616 HG11 VAL 87 1HG1 VAL 87 -11.176 -20.974 -22.747 617 HG12 VAL 87 2HG1 VAL 87 -11.191 -19.607 -21.632 618 HG13 VAL 87 3HG1 VAL 87 -12.683 -20.486 -21.971 619 HG21 VAL 87 1HG2 VAL 87 -11.993 -20.208 -25.430 620 HG22 VAL 87 2HG2 VAL 87 -13.206 -20.821 -24.305 621 HG23 VAL 87 3HG2 VAL 87 -13.471 -19.290 -25.140 622 H ARG 88 H ARG 88 -15.007 -17.967 -24.498 623 HA ARG 88 HA ARG 88 -16.894 -18.530 -22.417 624 HB2 ARG 88 2HB ARG 88 -18.561 -18.511 -24.221 625 HB3 ARG 88 3HB ARG 88 -17.506 -17.107 -24.302 626 HG2 ARG 88 2HG ARG 88 -16.225 -18.163 -26.090 627 HG3 ARG 88 3HG ARG 88 -17.274 -19.580 -26.004 628 HD2 ARG 88 2HD ARG 88 -18.882 -18.591 -27.202 629 HD3 ARG 88 3HD ARG 88 -18.750 -17.087 -26.292 630 HE ARG 88 HE ARG 88 -16.554 -17.389 -28.057 631 HH11 ARG 88 1HH1 ARG 88 -19.944 -16.601 -27.992 632 HH12 ARG 88 2HH1 ARG 88 -19.877 -15.620 -29.418 633 HH21 ARG 88 1HH2 ARG 88 -16.452 -16.100 -29.935 634 HH22 ARG 88 2HH2 ARG 88 -17.891 -15.336 -30.523 635 H LYS 89 H LYS 89 -17.711 -20.431 -21.792 636 HA LYS 89 HA LYS 89 -16.736 -22.844 -23.129 637 HB2 LYS 89 2HB LYS 89 -17.191 -22.109 -20.411 638 HB3 LYS 89 3HB LYS 89 -18.248 -23.461 -20.794 639 HG2 LYS 89 2HG LYS 89 -16.046 -24.458 -21.832 640 HG3 LYS 89 3HG LYS 89 -15.281 -23.334 -20.706 641 HD2 LYS 89 2HD LYS 89 -17.298 -24.583 -19.235 642 HD3 LYS 89 3HD LYS 89 -16.560 -25.871 -20.190 643 HE2 LYS 89 2HE LYS 89 -14.322 -24.962 -19.388 644 HE3 LYS 89 3HE LYS 89 -15.245 -24.014 -18.224 645 HZ1 LYS 89 1HZ LYS 89 -14.735 -25.913 -17.049 646 HZ2 LYS 89 2HZ LYS 89 -14.915 -26.935 -18.385 647 HZ3 LYS 89 3HZ LYS 89 -16.281 -26.283 -17.630 648 H ALA 90 H ALA 90 -19.652 -21.069 -22.478 649 HA ALA 90 HA ALA 90 -21.115 -22.798 -24.291 650 HB1 ALA 90 1HB ALA 90 -21.424 -23.011 -21.446 651 HB2 ALA 90 2HB ALA 90 -22.927 -22.453 -22.181 652 HB3 ALA 90 3HB ALA 90 -22.182 -23.956 -22.728 Start of MODEL 9 1 H1 MET 10 H MET 10 -0.163 -5.263 1.897 2 HA MET 10 HA MET 10 -1.317 -3.589 0.749 3 HB2 MET 10 2HB MET 10 -0.960 -2.119 3.352 4 HB3 MET 10 3HB MET 10 -1.527 -1.306 1.900 5 HG2 MET 10 2HG MET 10 -3.560 -1.864 2.609 6 HG3 MET 10 3HG MET 10 -3.172 -3.471 1.999 7 HE1 MET 10 1HE MET 10 -2.762 -2.070 6.338 8 HE2 MET 10 2HE MET 10 -2.538 -1.117 4.871 9 HE3 MET 10 3HE MET 10 -4.164 -1.537 5.410 10 H SER 11 H SER 11 1.461 -4.308 0.734 11 HA SER 11 HA SER 11 2.568 -1.793 -0.301 12 HB2 SER 11 2HB SER 11 3.766 -3.616 1.739 13 HB3 SER 11 3HB SER 11 4.841 -2.841 0.576 14 HG SER 11 HG SER 11 4.118 -1.763 2.731 15 H GLU 12 H GLU 12 3.537 -5.216 -0.011 16 HA GLU 12 HA GLU 12 4.947 -5.401 -2.378 17 HB2 GLU 12 2HB GLU 12 4.425 -7.856 -2.277 18 HB3 GLU 12 3HB GLU 12 5.083 -7.180 -0.793 19 HG2 GLU 12 2HG GLU 12 2.253 -6.988 -0.678 20 HG3 GLU 12 3HG GLU 12 2.683 -8.627 -1.163 21 H THR 13 H THR 13 4.270 -4.851 -4.339 22 HA THR 13 HA THR 13 1.479 -5.261 -5.093 23 HB THR 13 HB THR 13 2.647 -4.138 -7.294 24 HG1 THR 13 HG1 THR 13 3.861 -2.781 -5.132 25 HG21 THR 13 1HG2 THR 13 1.810 -2.367 -5.033 26 HG22 THR 13 2HG2 THR 13 0.640 -3.466 -5.762 27 HG23 THR 13 3HG2 THR 13 1.436 -2.242 -6.751 28 H ILE 14 H ILE 14 0.838 -6.445 -6.903 29 HA ILE 14 HA ILE 14 2.871 -8.088 -8.226 30 HB ILE 14 HB ILE 14 0.359 -9.202 -6.972 31 HG12 ILE 14 2HG1 ILE 14 2.339 -10.669 -5.927 32 HG13 ILE 14 3HG1 ILE 14 3.234 -9.180 -6.204 33 HG21 ILE 14 1HG2 ILE 14 2.373 -10.374 -8.854 34 HG22 ILE 14 2HG2 ILE 14 1.468 -11.397 -7.740 35 HG23 ILE 14 3HG2 ILE 14 0.613 -10.423 -8.936 36 HD11 ILE 14 1HD1 ILE 14 0.616 -8.959 -4.845 37 HD12 ILE 14 2HD1 ILE 14 1.955 -9.669 -3.942 38 HD13 ILE 14 3HD1 ILE 14 2.103 -8.042 -4.607 39 HA PRO 15 HA PRO 15 0.215 -6.431 -11.490 40 HB2 PRO 15 2HB PRO 15 2.027 -6.851 -13.468 41 HB3 PRO 15 3HB PRO 15 2.091 -5.454 -12.387 42 HG2 PRO 15 2HG PRO 15 3.639 -8.014 -12.269 43 HG3 PRO 15 3HG PRO 15 4.204 -6.352 -12.016 44 HD2 PRO 15 2HD PRO 15 3.664 -8.035 -9.965 45 HD3 PRO 15 3HD PRO 15 3.418 -6.281 -9.850 46 H VAL 16 H VAL 16 -1.022 -7.417 -13.057 47 HA VAL 16 HA VAL 16 -0.435 -10.186 -13.788 48 HB VAL 16 HB VAL 16 -2.908 -10.725 -13.409 49 HG11 VAL 16 1HG1 VAL 16 -1.521 -10.283 -10.805 50 HG12 VAL 16 2HG1 VAL 16 -2.418 -11.690 -11.378 51 HG13 VAL 16 3HG1 VAL 16 -0.800 -11.362 -11.998 52 HG21 VAL 16 1HG2 VAL 16 -4.060 -9.461 -11.696 53 HG22 VAL 16 2HG2 VAL 16 -2.680 -8.375 -11.529 54 HG23 VAL 16 3HG2 VAL 16 -3.614 -8.390 -13.025 55 H SER 17 H SER 17 -1.490 -10.897 -15.689 56 HA SER 17 HA SER 17 -2.569 -8.699 -17.327 57 HB2 SER 17 2HB SER 17 -0.346 -9.765 -18.003 58 HB3 SER 17 3HB SER 17 -1.281 -11.205 -18.407 59 HG SER 17 HG SER 17 -2.167 -10.189 -20.071 60 H VAL 18 H VAL 18 -4.415 -9.016 -18.519 61 HA VAL 18 HA VAL 18 -5.748 -11.624 -18.311 62 HB VAL 18 HB VAL 18 -7.069 -8.975 -17.704 63 HG11 VAL 18 1HG1 VAL 18 -8.564 -10.452 -18.926 64 HG12 VAL 18 2HG1 VAL 18 -8.225 -11.761 -17.791 65 HG13 VAL 18 3HG1 VAL 18 -9.073 -10.314 -17.243 66 HG21 VAL 18 1HG2 VAL 18 -6.522 -9.343 -15.585 67 HG22 VAL 18 2HG2 VAL 18 -7.396 -10.874 -15.630 68 HG23 VAL 18 3HG2 VAL 18 -5.682 -10.825 -16.042 69 H GLN 19 H GLN 19 -6.914 -12.220 -20.078 70 HA GLN 19 HA GLN 19 -6.873 -10.353 -22.352 71 HB2 GLN 19 2HB GLN 19 -6.376 -13.236 -22.087 72 HB3 GLN 19 3HB GLN 19 -7.411 -12.806 -23.441 73 HG2 GLN 19 2HG GLN 19 -5.054 -11.112 -23.210 74 HG3 GLN 19 3HG GLN 19 -4.675 -12.817 -23.450 75 HE21 GLN 19 1HE2 GLN 19 -4.970 -10.078 -25.061 76 HE22 GLN 19 2HE2 GLN 19 -5.577 -10.644 -26.576 77 H CYS 20 H CYS 20 -8.716 -9.833 -23.407 78 HA CYS 20 HA CYS 20 -11.188 -11.234 -22.671 79 HB2 CYS 20 2HB CYS 20 -11.002 -8.225 -22.853 80 HB3 CYS 20 3HB CYS 20 -12.380 -9.182 -22.323 81 HG CYS 20 HG CYS 20 -11.214 -10.020 -19.950 82 H CYS 21 H CYS 21 -12.841 -11.173 -24.233 83 HA CYS 21 HA CYS 21 -12.005 -11.292 -26.895 84 HB2 CYS 21 2HB CYS 21 -14.495 -11.579 -25.435 85 HB3 CYS 21 3HB CYS 21 -14.752 -10.787 -26.985 86 HG CYS 21 HG CYS 21 -13.682 -13.943 -26.356 87 H GLU 22 H GLU 22 -12.925 -8.607 -24.961 88 HA GLU 22 HA GLU 22 -13.448 -6.896 -27.261 89 HB2 GLU 22 2HB GLU 22 -13.674 -6.558 -24.290 90 HB3 GLU 22 3HB GLU 22 -13.639 -5.145 -25.335 91 HG2 GLU 22 2HG GLU 22 -15.561 -7.367 -25.871 92 HG3 GLU 22 3HG GLU 22 -15.908 -6.160 -24.634 93 H GLY 23 H GLY 23 -10.885 -7.717 -25.106 94 HA2 GLY 23 2HA GLY 23 -8.821 -6.656 -26.528 95 HA3 GLY 23 3HA GLY 23 -9.355 -5.314 -25.527 96 H ARG 24 H ARG 24 -7.043 -5.605 -24.801 97 HA ARG 24 HA ARG 24 -6.830 -7.708 -22.755 98 HB2 ARG 24 2HB ARG 24 -5.042 -7.796 -24.383 99 HB3 ARG 24 3HB ARG 24 -4.692 -6.089 -24.147 100 HG2 ARG 24 2HG ARG 24 -4.010 -6.556 -21.840 101 HG3 ARG 24 3HG ARG 24 -4.336 -8.270 -22.102 102 HD2 ARG 24 2HD ARG 24 -2.536 -6.926 -24.032 103 HD3 ARG 24 3HD ARG 24 -1.912 -7.190 -22.405 104 HE ARG 24 HE ARG 24 -2.999 -9.594 -23.198 105 HH11 ARG 24 1HH1 ARG 24 -0.495 -7.451 -24.318 106 HH12 ARG 24 2HH1 ARG 24 0.460 -8.719 -25.013 107 HH21 ARG 24 1HH2 ARG 24 -1.751 -11.272 -24.108 108 HH22 ARG 24 2HH2 ARG 24 -0.256 -10.892 -24.894 109 H PHE 25 H PHE 25 -6.438 -7.205 -20.643 110 HA PHE 25 HA PHE 25 -6.036 -4.399 -19.919 111 HB2 PHE 25 2HB PHE 25 -8.528 -5.109 -19.897 112 HB3 PHE 25 3HB PHE 25 -8.098 -6.027 -18.458 113 HD1 PHE 25 HD1 PHE 25 -8.226 -5.009 -16.397 114 HD2 PHE 25 HD2 PHE 25 -7.830 -2.596 -19.881 115 HE1 PHE 25 HE1 PHE 25 -8.502 -2.986 -15.023 116 HE2 PHE 25 HE2 PHE 25 -8.105 -0.570 -18.513 117 HZ PHE 25 HZ PHE 25 -8.441 -0.763 -16.081 118 H GLU 26 H GLU 26 -4.774 -4.099 -18.152 119 HA GLU 26 HA GLU 26 -3.918 -6.521 -16.706 120 HB2 GLU 26 2HB GLU 26 -2.274 -4.045 -17.258 121 HB3 GLU 26 3HB GLU 26 -1.723 -5.502 -16.442 122 HG2 GLU 26 2HG GLU 26 -2.148 -6.766 -18.535 123 HG3 GLU 26 3HG GLU 26 -2.529 -5.239 -19.328 124 H LEU 27 H LEU 27 -3.433 -6.309 -14.478 125 HA LEU 27 HA LEU 27 -4.168 -3.821 -13.154 126 HB2 LEU 27 2HB LEU 27 -6.132 -5.588 -13.480 127 HB3 LEU 27 3HB LEU 27 -5.395 -6.280 -12.036 128 HG LEU 27 HG LEU 27 -5.634 -3.853 -11.098 129 HD11 LEU 27 1HD1 LEU 27 -6.629 -3.382 -13.597 130 HD12 LEU 27 2HD1 LEU 27 -6.935 -2.388 -12.173 131 HD13 LEU 27 3HD1 LEU 27 -8.098 -3.624 -12.651 132 HD21 LEU 27 1HD2 LEU 27 -7.962 -5.737 -11.460 133 HD22 LEU 27 2HD2 LEU 27 -7.895 -4.423 -10.285 134 HD23 LEU 27 3HD2 LEU 27 -6.765 -5.773 -10.165 135 H SER 28 H SER 28 -3.688 -3.891 -10.805 136 HA SER 28 HA SER 28 -1.622 -5.873 -10.133 137 HB2 SER 28 2HB SER 28 -1.423 -2.900 -9.594 138 HB3 SER 28 3HB SER 28 -0.233 -4.121 -9.145 139 HG SER 28 HG SER 28 0.532 -3.396 -11.026 140 H VAL 29 H VAL 29 -1.852 -6.767 -8.183 141 HA VAL 29 HA VAL 29 -3.239 -5.339 -6.057 142 HB VAL 29 HB VAL 29 -5.019 -6.566 -7.277 143 HG11 VAL 29 1HG1 VAL 29 -3.608 -8.446 -8.035 144 HG12 VAL 29 2HG1 VAL 29 -3.556 -9.045 -6.376 145 HG13 VAL 29 3HG1 VAL 29 -5.091 -8.980 -7.244 146 HG21 VAL 29 1HG2 VAL 29 -5.164 -6.096 -4.852 147 HG22 VAL 29 2HG2 VAL 29 -6.039 -7.552 -5.323 148 HG23 VAL 29 3HG2 VAL 29 -4.470 -7.685 -4.530 149 H ASP 30 H ASP 30 -2.864 -6.199 -3.971 150 HA ASP 30 HA ASP 30 -0.348 -7.595 -3.750 151 HB2 ASP 30 2HB ASP 30 -2.225 -6.532 -1.629 152 HB3 ASP 30 3HB ASP 30 -0.627 -7.205 -1.315 153 H SER 31 H SER 31 0.005 -9.626 -2.963 154 HA SER 31 HA SER 31 -2.239 -11.445 -3.069 155 HB2 SER 31 2HB SER 31 0.237 -11.781 -3.927 156 HB3 SER 31 3HB SER 31 0.506 -12.329 -2.273 157 HG SER 31 HG SER 31 -0.845 -13.997 -2.586 158 H ASN 32 H ASN 32 -3.273 -12.341 -1.393 159 HA ASN 32 HA ASN 32 -2.171 -12.848 1.138 160 HB2 ASN 32 2HB ASN 32 -3.285 -11.154 2.499 161 HB3 ASN 32 3HB ASN 32 -2.203 -10.388 1.340 162 HD21 ASN 32 1HD2 ASN 32 -3.262 -9.718 -0.735 163 HD22 ASN 32 2HD2 ASN 32 -4.833 -9.008 -0.619 164 H HIS 33 H HIS 33 -5.127 -11.988 -0.609 165 HA HIS 33 HA HIS 33 -6.679 -13.849 1.018 166 HB2 HIS 33 2HB HIS 33 -7.280 -11.542 -0.691 167 HB3 HIS 33 3HB HIS 33 -8.401 -12.885 -0.896 168 HD1 HIS 33 HD1 HIS 33 -7.510 -10.143 1.391 169 HD2 HIS 33 HD2 HIS 33 -9.829 -13.589 1.498 170 HE1 HIS 33 HE1 HIS 33 -8.985 -9.898 3.413 171 H THR 34 H THR 34 -8.337 -15.181 -0.293 172 HA THR 34 HA THR 34 -6.836 -16.945 -1.982 173 HB THR 34 HB THR 34 -8.761 -18.359 -2.006 174 HG1 THR 34 HG1 THR 34 -10.791 -17.614 -1.317 175 HG21 THR 34 1HG2 THR 34 -8.862 -17.059 0.706 176 HG22 THR 34 2HG2 THR 34 -7.486 -18.029 0.179 177 HG23 THR 34 3HG2 THR 34 -9.087 -18.759 0.295 178 H LEU 35 H LEU 35 -8.106 -17.808 -4.011 179 HA LEU 35 HA LEU 35 -7.937 -15.896 -6.007 180 HB2 LEU 35 2HB LEU 35 -8.179 -18.546 -6.011 181 HB3 LEU 35 3HB LEU 35 -9.849 -18.132 -6.390 182 HG LEU 35 HG LEU 35 -8.532 -18.613 -8.400 183 HD11 LEU 35 1HD1 LEU 35 -9.435 -16.921 -9.670 184 HD12 LEU 35 2HD1 LEU 35 -9.063 -15.678 -8.476 185 HD13 LEU 35 3HD1 LEU 35 -10.394 -16.800 -8.195 186 HD21 LEU 35 1HD2 LEU 35 -6.941 -16.146 -7.722 187 HD22 LEU 35 2HD2 LEU 35 -6.715 -17.229 -9.096 188 HD23 LEU 35 3HD2 LEU 35 -6.366 -17.793 -7.461 189 H ARG 36 H ARG 36 -10.599 -16.693 -3.916 190 HA ARG 36 HA ARG 36 -12.769 -15.712 -5.311 191 HB2 ARG 36 2HB ARG 36 -12.387 -16.671 -2.798 192 HB3 ARG 36 3HB ARG 36 -12.688 -14.973 -2.456 193 HG2 ARG 36 2HG ARG 36 -14.786 -15.975 -2.330 194 HG3 ARG 36 3HG ARG 36 -14.758 -15.225 -3.927 195 HD2 ARG 36 2HD ARG 36 -14.231 -17.357 -4.951 196 HD3 ARG 36 3HD ARG 36 -14.142 -18.123 -3.365 197 HE ARG 36 HE ARG 36 -16.645 -17.124 -3.402 198 HH11 ARG 36 1HH1 ARG 36 -14.847 -19.088 -5.645 199 HH12 ARG 36 2HH1 ARG 36 -16.247 -19.911 -6.249 200 HH21 ARG 36 1HH2 ARG 36 -18.496 -18.201 -4.189 201 HH22 ARG 36 2HH2 ARG 36 -18.322 -19.405 -5.421 202 H ASP 37 H ASP 37 -10.418 -13.929 -3.353 203 HA ASP 37 HA ASP 37 -11.683 -11.400 -3.667 204 HB2 ASP 37 2HB ASP 37 -10.090 -11.963 -1.828 205 HB3 ASP 37 3HB ASP 37 -8.785 -11.963 -3.011 206 H VAL 38 H VAL 38 -8.910 -12.946 -5.260 207 HA VAL 38 HA VAL 38 -8.182 -10.855 -6.946 208 HB VAL 38 HB VAL 38 -8.052 -13.781 -7.675 209 HG11 VAL 38 1HG1 VAL 38 -5.848 -12.005 -8.398 210 HG12 VAL 38 2HG1 VAL 38 -6.714 -13.195 -9.372 211 HG13 VAL 38 3HG1 VAL 38 -7.382 -11.577 -9.154 212 HG21 VAL 38 1HG2 VAL 38 -7.102 -13.634 -5.508 213 HG22 VAL 38 2HG2 VAL 38 -5.752 -13.650 -6.642 214 HG23 VAL 38 3HG2 VAL 38 -6.263 -12.134 -5.901 215 H LEU 39 H LEU 39 -10.380 -13.577 -7.621 216 HA LEU 39 HA LEU 39 -11.101 -12.780 -10.209 217 HB2 LEU 39 2HB LEU 39 -11.514 -15.005 -9.027 218 HB3 LEU 39 3HB LEU 39 -12.931 -14.231 -8.320 219 HG LEU 39 HG LEU 39 -12.789 -14.017 -11.238 220 HD11 LEU 39 1HD1 LEU 39 -13.770 -16.555 -11.049 221 HD12 LEU 39 2HD1 LEU 39 -12.405 -16.606 -9.934 222 HD13 LEU 39 3HD1 LEU 39 -12.155 -16.129 -11.614 223 HD21 LEU 39 1HD2 LEU 39 -15.084 -15.346 -10.102 224 HD22 LEU 39 2HD2 LEU 39 -14.983 -13.804 -10.953 225 HD23 LEU 39 3HD2 LEU 39 -14.697 -13.872 -9.214 226 H ARG 40 H ARG 40 -12.392 -11.912 -7.055 227 HA ARG 40 HA ARG 40 -14.759 -10.673 -7.831 228 HB2 ARG 40 2HB ARG 40 -14.103 -11.134 -5.485 229 HB3 ARG 40 3HB ARG 40 -12.918 -9.838 -5.583 230 HG2 ARG 40 2HG ARG 40 -14.767 -8.250 -6.034 231 HG3 ARG 40 3HG ARG 40 -15.909 -9.570 -5.776 232 HD2 ARG 40 2HD ARG 40 -15.679 -9.492 -3.545 233 HD3 ARG 40 3HD ARG 40 -13.933 -9.261 -3.639 234 HE ARG 40 HE ARG 40 -15.409 -6.928 -4.400 235 HH11 ARG 40 1HH1 ARG 40 -14.153 -8.733 -1.701 236 HH12 ARG 40 2HH1 ARG 40 -14.072 -7.357 -0.651 237 HH21 ARG 40 1HH2 ARG 40 -15.308 -5.109 -3.027 238 HH22 ARG 40 2HH2 ARG 40 -14.730 -5.297 -1.406 239 H GLN 41 H GLN 41 -11.477 -9.354 -7.620 240 HA GLN 41 HA GLN 41 -12.220 -6.707 -8.353 241 HB2 GLN 41 2HB GLN 41 -9.997 -7.777 -7.264 242 HB3 GLN 41 3HB GLN 41 -9.467 -7.631 -8.935 243 HG2 GLN 41 2HG GLN 41 -9.344 -5.395 -8.841 244 HG3 GLN 41 3HG GLN 41 -10.789 -5.251 -7.841 245 HE21 GLN 41 1HE2 GLN 41 -7.807 -7.056 -7.266 246 HE22 GLN 41 2HE2 GLN 41 -7.372 -6.223 -5.817 247 H PHE 42 H PHE 42 -11.008 -9.505 -10.136 248 HA PHE 42 HA PHE 42 -10.590 -8.246 -12.604 249 HB2 PHE 42 2HB PHE 42 -11.153 -11.080 -11.791 250 HB3 PHE 42 3HB PHE 42 -11.067 -10.647 -13.495 251 HD1 PHE 42 HD1 PHE 42 -9.259 -12.320 -11.344 252 HD2 PHE 42 HD2 PHE 42 -8.903 -8.697 -13.550 253 HE1 PHE 42 HE1 PHE 42 -6.808 -12.515 -11.263 254 HE2 PHE 42 HE2 PHE 42 -6.452 -8.887 -13.474 255 HZ PHE 42 HZ PHE 42 -5.401 -10.799 -12.330 256 H LYS 43 H LYS 43 -13.406 -10.126 -11.488 257 HA LYS 43 HA LYS 43 -14.998 -9.592 -13.755 258 HB2 LYS 43 2HB LYS 43 -16.866 -10.420 -12.404 259 HB3 LYS 43 3HB LYS 43 -15.456 -11.459 -12.241 260 HG2 LYS 43 2HG LYS 43 -16.091 -11.314 -10.063 261 HG3 LYS 43 3HG LYS 43 -14.995 -9.933 -10.145 262 HD2 LYS 43 2HD LYS 43 -16.662 -8.633 -9.456 263 HD3 LYS 43 3HD LYS 43 -17.512 -8.988 -10.962 264 HE2 LYS 43 2HE LYS 43 -18.663 -10.819 -9.974 265 HE3 LYS 43 3HE LYS 43 -17.648 -10.762 -8.534 266 HZ1 LYS 43 1HZ LYS 43 -18.590 -8.467 -8.178 267 HZ2 LYS 43 2HZ LYS 43 -19.664 -9.752 -7.942 268 HZ3 LYS 43 3HZ LYS 43 -19.738 -8.838 -9.364 269 H ARG 44 H ARG 44 -14.399 -7.824 -10.814 270 HA ARG 44 HA ARG 44 -16.628 -6.039 -11.117 271 HB2 ARG 44 2HB ARG 44 -15.722 -6.488 -8.903 272 HB3 ARG 44 3HB ARG 44 -14.153 -5.862 -9.391 273 HG2 ARG 44 2HG ARG 44 -15.211 -3.646 -9.752 274 HG3 ARG 44 3HG ARG 44 -16.712 -4.306 -9.100 275 HD2 ARG 44 2HD ARG 44 -16.001 -3.829 -7.052 276 HD3 ARG 44 3HD ARG 44 -14.669 -4.963 -7.273 277 HE ARG 44 HE ARG 44 -13.246 -3.190 -7.592 278 HH11 ARG 44 1HH1 ARG 44 -16.542 -2.080 -7.745 279 HH12 ARG 44 2HH1 ARG 44 -16.114 -0.401 -7.742 280 HH21 ARG 44 1HH2 ARG 44 -12.670 -0.983 -7.588 281 HH22 ARG 44 2HH2 ARG 44 -13.912 0.222 -7.653 282 H GLU 45 H GLU 45 -13.369 -6.186 -12.266 283 HA GLU 45 HA GLU 45 -13.429 -3.386 -13.115 284 HB2 GLU 45 2HB GLU 45 -11.249 -5.465 -13.041 285 HB3 GLU 45 3HB GLU 45 -11.052 -3.933 -13.880 286 HG2 GLU 45 2HG GLU 45 -11.818 -4.094 -10.984 287 HG3 GLU 45 3HG GLU 45 -10.141 -4.079 -11.525 288 H VAL 46 H VAL 46 -14.113 -6.480 -14.290 289 HA VAL 46 HA VAL 46 -13.545 -5.825 -17.072 290 HB VAL 46 HB VAL 46 -13.265 -8.159 -15.933 291 HG11 VAL 46 1HG1 VAL 46 -15.806 -7.986 -15.297 292 HG12 VAL 46 2HG1 VAL 46 -16.035 -8.628 -16.925 293 HG13 VAL 46 3HG1 VAL 46 -15.091 -9.535 -15.743 294 HG21 VAL 46 1HG2 VAL 46 -14.461 -7.700 -18.657 295 HG22 VAL 46 2HG2 VAL 46 -12.755 -7.852 -18.234 296 HG23 VAL 46 3HG2 VAL 46 -13.818 -9.255 -18.131 297 H ALA 47 H ALA 47 -16.136 -5.676 -14.846 298 HA ALA 47 HA ALA 47 -18.330 -5.983 -16.594 299 HB1 ALA 47 1HB ALA 47 -18.452 -4.162 -14.230 300 HB2 ALA 47 2HB ALA 47 -19.659 -5.295 -14.839 301 HB3 ALA 47 3HB ALA 47 -18.232 -5.896 -13.995 302 H ALA 48 H ALA 48 -16.005 -3.529 -16.334 303 HA ALA 48 HA ALA 48 -17.513 -1.252 -17.019 304 HB1 ALA 48 1HB ALA 48 -15.316 -0.342 -17.812 305 HB2 ALA 48 2HB ALA 48 -15.313 -0.956 -16.158 306 HB3 ALA 48 3HB ALA 48 -14.610 -1.919 -17.458 307 H LEU 49 H LEU 49 -15.978 -3.752 -18.974 308 HA LEU 49 HA LEU 49 -17.151 -2.520 -21.378 309 HB2 LEU 49 2HB LEU 49 -15.451 -4.143 -22.513 310 HB3 LEU 49 3HB LEU 49 -14.921 -2.587 -21.876 311 HG LEU 49 HG LEU 49 -14.715 -4.895 -20.038 312 HD11 LEU 49 1HD1 LEU 49 -13.263 -4.722 -22.632 313 HD12 LEU 49 2HD1 LEU 49 -13.851 -6.136 -21.758 314 HD13 LEU 49 3HD1 LEU 49 -12.402 -5.298 -21.205 315 HD21 LEU 49 1HD2 LEU 49 -13.245 -3.560 -19.019 316 HD22 LEU 49 2HD2 LEU 49 -13.839 -2.287 -20.086 317 HD23 LEU 49 3HD2 LEU 49 -12.396 -3.203 -20.523 318 H ASP 50 H ASP 50 -17.056 -5.311 -19.358 319 HA ASP 50 HA ASP 50 -18.571 -6.893 -21.306 320 HB2 ASP 50 2HB ASP 50 -16.529 -7.680 -19.743 321 HB3 ASP 50 3HB ASP 50 -17.870 -8.035 -18.657 322 HA PRO 51 HA PRO 51 -22.142 -5.395 -18.987 323 HB2 PRO 51 2HB PRO 51 -23.953 -6.188 -20.848 324 HB3 PRO 51 3HB PRO 51 -23.018 -4.695 -20.992 325 HG2 PRO 51 2HG PRO 51 -22.546 -7.357 -22.277 326 HG3 PRO 51 3HG PRO 51 -22.430 -5.736 -22.987 327 HD2 PRO 51 2HD PRO 51 -20.255 -7.133 -22.183 328 HD3 PRO 51 3HD PRO 51 -20.335 -5.362 -22.102 329 H ILE 52 H ILE 52 -21.147 -8.515 -19.899 330 HA ILE 52 HA ILE 52 -23.427 -9.819 -18.609 331 HB ILE 52 HB ILE 52 -22.532 -10.677 -20.797 332 HG12 ILE 52 2HG1 ILE 52 -22.114 -13.009 -19.119 333 HG13 ILE 52 3HG1 ILE 52 -23.476 -12.048 -18.553 334 HG21 ILE 52 1HG2 ILE 52 -20.489 -11.967 -20.811 335 HG22 ILE 52 2HG2 ILE 52 -20.147 -10.324 -20.273 336 HG23 ILE 52 3HG2 ILE 52 -20.234 -11.636 -19.098 337 HD11 ILE 52 1HD1 ILE 52 -23.126 -13.076 -21.359 338 HD12 ILE 52 2HD1 ILE 52 -24.150 -13.802 -20.119 339 HD13 ILE 52 3HD1 ILE 52 -24.515 -12.189 -20.731 340 H ASN 53 H ASN 53 -23.215 -11.168 -16.822 341 HA ASN 53 HA ASN 53 -21.224 -10.404 -14.936 342 HB2 ASN 53 2HB ASN 53 -23.730 -11.708 -14.867 343 HB3 ASN 53 3HB ASN 53 -22.566 -12.827 -14.163 344 HD21 ASN 53 1HD2 ASN 53 -24.681 -11.548 -12.787 345 HD22 ASN 53 2HD2 ASN 53 -23.981 -10.532 -11.577 346 H LEU 54 H LEU 54 -19.205 -11.113 -14.893 347 HA LEU 54 HA LEU 54 -18.306 -13.353 -16.385 348 HB2 LEU 54 2HB LEU 54 -16.766 -11.606 -16.070 349 HB3 LEU 54 3HB LEU 54 -17.029 -11.579 -14.327 350 HG LEU 54 HG LEU 54 -15.818 -13.662 -14.078 351 HD11 LEU 54 1HD1 LEU 54 -14.578 -14.060 -16.541 352 HD12 LEU 54 2HD1 LEU 54 -16.289 -13.854 -16.913 353 HD13 LEU 54 3HD1 LEU 54 -15.779 -15.096 -15.770 354 HD21 LEU 54 1HD2 LEU 54 -14.485 -11.460 -15.615 355 HD22 LEU 54 2HD2 LEU 54 -13.581 -12.872 -15.067 356 HD23 LEU 54 3HD2 LEU 54 -14.388 -11.831 -13.893 357 H GLU 55 H GLU 55 -19.616 -13.008 -13.242 358 HA GLU 55 HA GLU 55 -18.383 -15.148 -11.906 359 HB2 GLU 55 2HB GLU 55 -19.859 -13.348 -10.901 360 HB3 GLU 55 3HB GLU 55 -21.238 -14.254 -11.509 361 HG2 GLU 55 2HG GLU 55 -20.952 -15.966 -10.014 362 HG3 GLU 55 3HG GLU 55 -19.229 -15.652 -9.817 363 H GLU 56 H GLU 56 -20.645 -15.100 -14.468 364 HA GLU 56 HA GLU 56 -21.684 -17.754 -13.945 365 HB2 GLU 56 2HB GLU 56 -22.037 -16.056 -16.418 366 HB3 GLU 56 3HB GLU 56 -23.001 -17.448 -15.943 367 HG2 GLU 56 2HG GLU 56 -22.834 -14.945 -14.293 368 HG3 GLU 56 3HG GLU 56 -24.035 -15.183 -15.561 369 H TYR 57 H TYR 57 -19.113 -16.289 -15.716 370 HA TYR 57 HA TYR 57 -18.599 -18.808 -17.145 371 HB2 TYR 57 2HB TYR 57 -17.400 -16.084 -17.680 372 HB3 TYR 57 3HB TYR 57 -17.217 -17.527 -18.671 373 HD1 TYR 57 HD1 TYR 57 -20.015 -18.520 -18.709 374 HD2 TYR 57 HD2 TYR 57 -18.474 -14.574 -19.106 375 HE1 TYR 57 HE1 TYR 57 -22.002 -17.881 -20.010 376 HE2 TYR 57 HE2 TYR 57 -20.457 -13.924 -20.407 377 HH TYR 57 HH TYR 57 -22.201 -15.319 -21.923 378 H VAL 58 H VAL 58 -16.197 -19.250 -17.472 379 HA VAL 58 HA VAL 58 -14.797 -18.811 -14.916 380 HB VAL 58 HB VAL 58 -14.456 -21.134 -16.817 381 HG11 VAL 58 1HG1 VAL 58 -13.063 -20.249 -14.366 382 HG12 VAL 58 2HG1 VAL 58 -13.411 -21.974 -14.499 383 HG13 VAL 58 3HG1 VAL 58 -12.461 -21.166 -15.746 384 HG21 VAL 58 1HG2 VAL 58 -16.507 -21.607 -15.910 385 HG22 VAL 58 2HG2 VAL 58 -15.453 -22.319 -14.689 386 HG23 VAL 58 3HG2 VAL 58 -16.172 -20.732 -14.416 387 H VAL 59 H VAL 59 -12.604 -18.328 -14.934 388 HA VAL 59 HA VAL 59 -11.583 -17.361 -17.519 389 HB VAL 59 HB VAL 59 -11.791 -15.612 -15.840 390 HG11 VAL 59 1HG1 VAL 59 -10.980 -17.612 -14.059 391 HG12 VAL 59 2HG1 VAL 59 -9.688 -16.410 -14.048 392 HG13 VAL 59 3HG1 VAL 59 -11.346 -15.928 -13.686 393 HG21 VAL 59 1HG2 VAL 59 -8.905 -16.359 -16.304 394 HG22 VAL 59 2HG2 VAL 59 -9.939 -15.501 -17.447 395 HG23 VAL 59 3HG2 VAL 59 -9.514 -14.752 -15.908 396 H ASN 60 H ASN 60 -9.896 -18.342 -18.419 397 HA ASN 60 HA ASN 60 -8.455 -20.358 -16.858 398 HB2 ASN 60 2HB ASN 60 -7.746 -21.279 -18.988 399 HB3 ASN 60 3HB ASN 60 -9.490 -21.039 -19.011 400 HD21 ASN 60 1HD2 ASN 60 -6.544 -20.362 -20.519 401 HD22 ASN 60 2HD2 ASN 60 -7.126 -19.244 -21.702 402 H HIS 61 H HIS 61 -6.227 -20.387 -16.676 403 HA HIS 61 HA HIS 61 -4.887 -17.861 -17.379 404 HB2 HIS 61 2HB HIS 61 -3.249 -18.603 -15.545 405 HB3 HIS 61 3HB HIS 61 -4.839 -18.043 -15.034 406 HD1 HIS 61 HD1 HIS 61 -6.560 -19.950 -14.323 407 HD2 HIS 61 HD2 HIS 61 -2.615 -21.162 -14.792 408 HE1 HIS 61 HE1 HIS 61 -6.403 -22.183 -13.179 409 H GLU 62 H GLU 62 -3.540 -18.002 -19.037 410 HA GLU 62 HA GLU 62 -2.085 -18.820 -20.586 411 HB2 GLU 62 2HB GLU 62 -0.911 -19.143 -18.185 412 HB3 GLU 62 3HB GLU 62 -0.962 -20.820 -18.708 413 HG2 GLU 62 2HG GLU 62 -0.024 -19.459 -20.925 414 HG3 GLU 62 3HG GLU 62 0.762 -18.662 -19.563 415 H GLY 63 H GLY 63 -4.674 -20.098 -20.376 416 HA2 GLY 63 2HA GLY 63 -5.667 -21.779 -21.636 417 HA3 GLY 63 3HA GLY 63 -4.074 -22.457 -21.936 418 H LYS 64 H LYS 64 -4.660 -21.829 -18.659 419 HA LYS 64 HA LYS 64 -5.272 -24.676 -18.206 420 HB2 LYS 64 2HB LYS 64 -3.176 -23.015 -17.193 421 HB3 LYS 64 3HB LYS 64 -4.204 -23.499 -15.852 422 HG2 LYS 64 2HG LYS 64 -2.846 -25.288 -15.824 423 HG3 LYS 64 3HG LYS 64 -3.932 -25.865 -17.090 424 HD2 LYS 64 2HD LYS 64 -2.415 -25.031 -18.798 425 HD3 LYS 64 3HD LYS 64 -1.348 -24.374 -17.555 426 HE2 LYS 64 2HE LYS 64 -0.551 -26.526 -18.467 427 HE3 LYS 64 3HE LYS 64 -0.870 -26.592 -16.734 428 HZ1 LYS 64 1HZ LYS 64 -2.937 -27.415 -18.668 429 HZ2 LYS 64 2HZ LYS 64 -2.761 -27.861 -17.046 430 HZ3 LYS 64 3HZ LYS 64 -1.713 -28.490 -18.215 431 H LEU 65 H LEU 65 -7.084 -25.165 -17.145 432 HA LEU 65 HA LEU 65 -8.757 -23.001 -16.167 433 HB2 LEU 65 2HB LEU 65 -9.179 -25.904 -16.746 434 HB3 LEU 65 3HB LEU 65 -10.340 -25.020 -15.758 435 HG LEU 65 HG LEU 65 -11.065 -25.179 -18.086 436 HD11 LEU 65 1HD1 LEU 65 -12.077 -23.279 -17.538 437 HD12 LEU 65 2HD1 LEU 65 -10.760 -22.435 -18.351 438 HD13 LEU 65 3HD1 LEU 65 -10.684 -22.720 -16.613 439 HD21 LEU 65 1HD2 LEU 65 -8.793 -23.397 -18.882 440 HD22 LEU 65 2HD2 LEU 65 -9.862 -24.365 -19.898 441 HD23 LEU 65 3HD2 LEU 65 -8.622 -25.152 -18.920 442 H LEU 66 H LEU 66 -9.048 -22.498 -14.091 443 HA LEU 66 HA LEU 66 -7.506 -23.797 -12.067 444 HB2 LEU 66 2HB LEU 66 -8.859 -21.332 -12.390 445 HB3 LEU 66 3HB LEU 66 -9.503 -22.101 -10.941 446 HG LEU 66 HG LEU 66 -6.562 -22.045 -11.163 447 HD11 LEU 66 1HD1 LEU 66 -7.355 -19.816 -12.062 448 HD12 LEU 66 2HD1 LEU 66 -6.290 -19.760 -10.658 449 HD13 LEU 66 3HD1 LEU 66 -8.025 -19.516 -10.458 450 HD21 LEU 66 1HD2 LEU 66 -7.538 -20.964 -8.754 451 HD22 LEU 66 2HD2 LEU 66 -6.856 -22.567 -9.028 452 HD23 LEU 66 3HD2 LEU 66 -8.596 -22.312 -9.171 453 H LEU 67 H LEU 67 -8.304 -24.804 -10.154 454 HA LEU 67 HA LEU 67 -10.773 -26.306 -10.632 455 HB2 LEU 67 2HB LEU 67 -8.217 -26.874 -9.383 456 HB3 LEU 67 3HB LEU 67 -9.572 -27.328 -8.352 457 HG LEU 67 HG LEU 67 -10.382 -28.471 -10.626 458 HD11 LEU 67 1HD1 LEU 67 -7.401 -28.800 -10.786 459 HD12 LEU 67 2HD1 LEU 67 -8.276 -27.613 -11.752 460 HD13 LEU 67 3HD1 LEU 67 -8.629 -29.331 -11.935 461 HD21 LEU 67 1HD2 LEU 67 -8.320 -29.748 -8.841 462 HD22 LEU 67 2HD2 LEU 67 -9.613 -30.545 -9.737 463 HD23 LEU 67 3HD2 LEU 67 -10.001 -29.495 -8.373 464 H ASP 68 H ASP 68 -9.122 -25.040 -7.733 465 HA ASP 68 HA ASP 68 -11.765 -24.236 -6.707 466 HB2 ASP 68 2HB ASP 68 -9.833 -25.918 -5.546 467 HB3 ASP 68 3HB ASP 68 -9.749 -24.405 -4.649 468 H ASP 69 H ASP 69 -11.903 -22.281 -5.510 469 HA ASP 69 HA ASP 69 -9.947 -20.291 -6.387 470 HB2 ASP 69 2HB ASP 69 -12.693 -19.955 -5.159 471 HB3 ASP 69 3HB ASP 69 -11.656 -18.635 -5.693 472 H SER 70 H SER 70 -9.441 -22.190 -4.185 473 HA SER 70 HA SER 70 -9.442 -20.485 -1.819 474 HB2 SER 70 2HB SER 70 -9.482 -23.311 -2.287 475 HB3 SER 70 3HB SER 70 -8.063 -22.917 -1.318 476 HG SER 70 HG SER 70 -10.272 -23.290 -0.279 477 H VAL 71 H VAL 71 -7.305 -21.624 -4.291 478 HA VAL 71 HA VAL 71 -4.859 -21.120 -2.907 479 HB VAL 71 HB VAL 71 -3.777 -21.356 -5.085 480 HG11 VAL 71 1HG1 VAL 71 -5.182 -23.296 -3.722 481 HG12 VAL 71 2HG1 VAL 71 -5.689 -23.525 -5.396 482 HG13 VAL 71 3HG1 VAL 71 -3.976 -23.576 -4.978 483 HG21 VAL 71 1HG2 VAL 71 -5.545 -22.059 -6.952 484 HG22 VAL 71 2HG2 VAL 71 -6.543 -20.916 -6.054 485 HG23 VAL 71 3HG2 VAL 71 -5.004 -20.394 -6.739 486 H THR 72 H THR 72 -3.440 -19.390 -3.119 487 HA THR 72 HA THR 72 -4.721 -16.857 -3.772 488 HB THR 72 HB THR 72 -3.061 -15.782 -2.525 489 HG1 THR 72 HG1 THR 72 -1.036 -16.602 -2.200 490 HG21 THR 72 1HG2 THR 72 -2.844 -18.273 -0.957 491 HG22 THR 72 2HG2 THR 72 -4.483 -17.757 -1.356 492 HG23 THR 72 3HG2 THR 72 -3.407 -16.674 -0.474 493 H LEU 73 H LEU 73 -2.730 -15.231 -4.524 494 HA LEU 73 HA LEU 73 -2.343 -15.932 -7.265 495 HB2 LEU 73 2HB LEU 73 -1.246 -13.629 -5.658 496 HB3 LEU 73 3HB LEU 73 -1.160 -13.779 -7.412 497 HG LEU 73 HG LEU 73 -3.823 -13.967 -7.061 498 HD11 LEU 73 1HD1 LEU 73 -2.733 -12.459 -4.720 499 HD12 LEU 73 2HD1 LEU 73 -4.039 -13.642 -4.780 500 HD13 LEU 73 3HD1 LEU 73 -4.290 -12.020 -5.424 501 HD21 LEU 73 1HD2 LEU 73 -3.315 -12.401 -8.597 502 HD22 LEU 73 2HD2 LEU 73 -1.933 -11.798 -7.681 503 HD23 LEU 73 3HD2 LEU 73 -3.566 -11.285 -7.255 504 H GLN 74 H GLN 74 -0.147 -15.466 -4.507 505 HA GLN 74 HA GLN 74 2.181 -16.214 -5.985 506 HB2 GLN 74 2HB GLN 74 1.707 -14.969 -3.564 507 HB3 GLN 74 3HB GLN 74 2.365 -16.528 -3.087 508 HG2 GLN 74 2HG GLN 74 4.253 -16.076 -4.706 509 HG3 GLN 74 3HG GLN 74 3.642 -14.426 -4.804 510 HE21 GLN 74 1HE2 GLN 74 5.628 -13.693 -3.949 511 HE22 GLN 74 2HE2 GLN 74 5.968 -13.813 -2.259 512 H THR 75 H THR 75 -0.195 -17.905 -4.088 513 HA THR 75 HA THR 75 1.190 -20.244 -3.473 514 HB THR 75 HB THR 75 -1.744 -19.900 -4.117 515 HG1 THR 75 HG1 THR 75 -0.736 -18.762 -2.252 516 HG21 THR 75 1HG2 THR 75 -2.028 -22.003 -2.820 517 HG22 THR 75 2HG2 THR 75 -0.275 -22.197 -2.819 518 HG23 THR 75 3HG2 THR 75 -1.166 -22.232 -4.340 519 H VAL 76 H VAL 76 -0.448 -19.266 -6.434 520 HA VAL 76 HA VAL 76 0.133 -21.834 -7.691 521 HB VAL 76 HB VAL 76 -2.056 -20.935 -8.149 522 HG11 VAL 76 1HG1 VAL 76 -2.300 -18.800 -9.415 523 HG12 VAL 76 2HG1 VAL 76 -1.701 -18.597 -7.767 524 HG13 VAL 76 3HG1 VAL 76 -0.586 -18.493 -9.130 525 HG21 VAL 76 1HG2 VAL 76 -2.096 -21.215 -10.463 526 HG22 VAL 76 2HG2 VAL 76 -0.520 -20.452 -10.680 527 HG23 VAL 76 3HG2 VAL 76 -0.629 -22.063 -9.972 528 H GLY 77 H GLY 77 1.300 -18.570 -7.596 529 HA2 GLY 77 2HA GLY 77 3.549 -18.079 -8.261 530 HA3 GLY 77 3HA GLY 77 3.421 -19.332 -9.487 531 H VAL 78 H VAL 78 1.047 -16.807 -8.837 532 HA VAL 78 HA VAL 78 0.855 -16.097 -11.575 533 HB VAL 78 HB VAL 78 -0.140 -14.637 -9.124 534 HG11 VAL 78 1HG1 VAL 78 -0.187 -12.981 -10.728 535 HG12 VAL 78 2HG1 VAL 78 -0.471 -14.118 -12.047 536 HG13 VAL 78 3HG1 VAL 78 -1.776 -13.717 -10.930 537 HG21 VAL 78 1HG2 VAL 78 -1.097 -16.937 -10.652 538 HG22 VAL 78 2HG2 VAL 78 -1.521 -16.400 -9.026 539 HG23 VAL 78 3HG2 VAL 78 -2.310 -15.676 -10.427 540 H LYS 79 H LYS 79 2.426 -15.093 -12.644 541 HA LYS 79 HA LYS 79 3.951 -12.983 -11.272 542 HB2 LYS 79 2HB LYS 79 4.726 -15.139 -12.999 543 HB3 LYS 79 3HB LYS 79 5.146 -13.611 -13.762 544 HG2 LYS 79 2HG LYS 79 6.801 -13.209 -12.317 545 HG3 LYS 79 3HG LYS 79 5.853 -13.749 -10.930 546 HD2 LYS 79 2HD LYS 79 6.898 -15.747 -12.895 547 HD3 LYS 79 3HD LYS 79 7.969 -15.086 -11.657 548 HE2 LYS 79 2HE LYS 79 6.448 -15.836 -9.915 549 HE3 LYS 79 3HE LYS 79 5.324 -16.439 -11.132 550 HZ1 LYS 79 1HZ LYS 79 6.592 -18.246 -11.540 551 HZ2 LYS 79 2HZ LYS 79 7.119 -17.975 -9.956 552 HZ3 LYS 79 3HZ LYS 79 8.055 -17.445 -11.261 553 H LYS 80 H LYS 80 4.841 -11.332 -12.989 554 HA LYS 80 HA LYS 80 2.663 -9.816 -13.887 555 HB2 LYS 80 2HB LYS 80 4.252 -8.302 -14.784 556 HB3 LYS 80 3HB LYS 80 5.000 -8.995 -13.351 557 HG2 LYS 80 2HG LYS 80 6.754 -9.196 -14.756 558 HG3 LYS 80 3HG LYS 80 5.936 -10.705 -15.172 559 HD2 LYS 80 2HD LYS 80 5.065 -9.823 -17.153 560 HD3 LYS 80 3HD LYS 80 5.332 -8.156 -16.636 561 HE2 LYS 80 2HE LYS 80 7.642 -10.022 -17.011 562 HE3 LYS 80 3HE LYS 80 6.915 -9.212 -18.397 563 HZ1 LYS 80 1HZ LYS 80 8.209 -7.497 -17.907 564 HZ2 LYS 80 2HZ LYS 80 8.685 -8.168 -16.430 565 HZ3 LYS 80 3HZ LYS 80 7.272 -7.242 -16.522 566 H ASP 81 H ASP 81 4.616 -12.234 -15.481 567 HA ASP 81 HA ASP 81 3.677 -11.637 -18.124 568 HB2 ASP 81 2HB ASP 81 5.668 -13.304 -16.962 569 HB3 ASP 81 3HB ASP 81 4.617 -14.328 -17.937 570 H SER 82 H SER 82 2.584 -13.576 -15.471 571 HA SER 82 HA SER 82 1.041 -15.505 -16.690 572 HB2 SER 82 2HB SER 82 1.367 -15.350 -14.251 573 HB3 SER 82 3HB SER 82 0.329 -13.925 -14.205 574 HG SER 82 HG SER 82 -0.636 -16.304 -15.340 575 H VAL 83 H VAL 83 -0.483 -15.356 -18.183 576 HA VAL 83 HA VAL 83 -2.293 -13.029 -18.126 577 HB VAL 83 HB VAL 83 -0.857 -12.812 -20.051 578 HG11 VAL 83 1HG1 VAL 83 -0.263 -15.251 -20.146 579 HG12 VAL 83 2HG1 VAL 83 -1.796 -15.519 -20.979 580 HG13 VAL 83 3HG1 VAL 83 -0.562 -14.491 -21.709 581 HG21 VAL 83 1HG2 VAL 83 -2.528 -12.817 -21.845 582 HG22 VAL 83 2HG2 VAL 83 -3.588 -13.818 -20.853 583 HG23 VAL 83 3HG2 VAL 83 -3.192 -12.177 -20.342 584 H PHE 84 H PHE 84 -4.333 -13.554 -17.744 585 HA PHE 84 HA PHE 84 -5.253 -16.255 -18.483 586 HB2 PHE 84 2HB PHE 84 -6.989 -15.163 -16.531 587 HB3 PHE 84 3HB PHE 84 -5.885 -16.523 -16.357 588 HD1 PHE 84 HD1 PHE 84 -6.269 -12.893 -15.890 589 HD2 PHE 84 HD2 PHE 84 -3.855 -16.318 -15.144 590 HE1 PHE 84 HE1 PHE 84 -4.947 -11.602 -14.266 591 HE2 PHE 84 HE2 PHE 84 -2.529 -15.034 -13.517 592 HZ PHE 84 HZ PHE 84 -3.075 -12.673 -13.076 593 H VAL 85 H VAL 85 -6.859 -16.377 -19.906 594 HA VAL 85 HA VAL 85 -8.272 -13.907 -20.627 595 HB VAL 85 HB VAL 85 -7.093 -15.065 -22.450 596 HG11 VAL 85 1HG1 VAL 85 -7.325 -17.252 -22.957 597 HG12 VAL 85 2HG1 VAL 85 -7.827 -17.373 -21.270 598 HG13 VAL 85 3HG1 VAL 85 -9.040 -17.276 -22.548 599 HG21 VAL 85 1HG2 VAL 85 -10.096 -15.180 -22.721 600 HG22 VAL 85 2HG2 VAL 85 -9.102 -13.737 -22.923 601 HG23 VAL 85 3HG2 VAL 85 -8.934 -15.088 -24.044 602 H LEU 86 H LEU 86 -10.507 -13.813 -20.753 603 HA LEU 86 HA LEU 86 -11.907 -15.649 -19.013 604 HB2 LEU 86 2HB LEU 86 -12.581 -13.072 -20.365 605 HB3 LEU 86 3HB LEU 86 -13.869 -14.082 -19.712 606 HG LEU 86 HG LEU 86 -12.819 -13.923 -17.482 607 HD11 LEU 86 1HD1 LEU 86 -10.930 -12.042 -18.887 608 HD12 LEU 86 2HD1 LEU 86 -10.523 -13.565 -18.098 609 HD13 LEU 86 3HD1 LEU 86 -11.080 -12.196 -17.137 610 HD21 LEU 86 1HD2 LEU 86 -14.578 -12.414 -17.844 611 HD22 LEU 86 2HD2 LEU 86 -13.613 -11.414 -18.930 612 HD23 LEU 86 3HD2 LEU 86 -13.264 -11.428 -17.201 613 H VAL 87 H VAL 87 -13.327 -17.194 -19.594 614 HA VAL 87 HA VAL 87 -14.219 -17.332 -22.384 615 HB VAL 87 HB VAL 87 -12.994 -19.663 -20.902 616 HG11 VAL 87 1HG1 VAL 87 -13.237 -20.719 -23.228 617 HG12 VAL 87 2HG1 VAL 87 -14.684 -20.579 -22.229 618 HG13 VAL 87 3HG1 VAL 87 -14.402 -19.434 -23.540 619 HG21 VAL 87 1HG2 VAL 87 -11.986 -18.350 -23.414 620 HG22 VAL 87 2HG2 VAL 87 -11.419 -17.900 -21.806 621 HG23 VAL 87 3HG2 VAL 87 -11.168 -19.541 -22.402 622 H ARG 88 H ARG 88 -16.238 -18.180 -22.673 623 HA ARG 88 HA ARG 88 -17.940 -18.305 -20.385 624 HB2 ARG 88 2HB ARG 88 -19.698 -18.914 -22.067 625 HB3 ARG 88 3HB ARG 88 -18.848 -17.413 -22.409 626 HG2 ARG 88 2HG ARG 88 -18.331 -18.163 -24.422 627 HG3 ARG 88 3HG ARG 88 -17.452 -19.513 -23.702 628 HD2 ARG 88 2HD ARG 88 -19.620 -20.734 -23.525 629 HD3 ARG 88 3HD ARG 88 -20.378 -19.417 -24.419 630 HE ARG 88 HE ARG 88 -18.707 -21.502 -25.482 631 HH11 ARG 88 1HH1 ARG 88 -19.914 -18.271 -25.960 632 HH12 ARG 88 2HH1 ARG 88 -19.692 -18.302 -27.678 633 HH21 ARG 88 1HH2 ARG 88 -18.410 -21.554 -27.743 634 HH22 ARG 88 2HH2 ARG 88 -18.837 -20.170 -28.691 635 H LYS 89 H LYS 89 -18.779 -20.029 -19.337 636 HA LYS 89 HA LYS 89 -17.726 -22.666 -20.084 637 HB2 LYS 89 2HB LYS 89 -17.426 -21.558 -17.739 638 HB3 LYS 89 3HB LYS 89 -19.087 -22.076 -17.477 639 HG2 LYS 89 2HG LYS 89 -18.127 -23.945 -16.705 640 HG3 LYS 89 3HG LYS 89 -17.991 -24.364 -18.414 641 HD2 LYS 89 2HD LYS 89 -15.756 -22.840 -18.019 642 HD3 LYS 89 3HD LYS 89 -15.912 -23.673 -16.470 643 HE2 LYS 89 2HE LYS 89 -15.033 -25.494 -17.386 644 HE3 LYS 89 3HE LYS 89 -16.404 -25.582 -18.490 645 HZ1 LYS 89 1HZ LYS 89 -14.957 -25.220 -20.112 646 HZ2 LYS 89 2HZ LYS 89 -13.706 -24.867 -19.030 647 HZ3 LYS 89 3HZ LYS 89 -14.761 -23.643 -19.530 648 H ALA 90 H ALA 90 -20.663 -20.859 -19.641 649 HA ALA 90 HA ALA 90 -22.178 -23.149 -20.669 650 HB1 ALA 90 1HB ALA 90 -22.422 -23.012 -18.178 651 HB2 ALA 90 2HB ALA 90 -23.204 -21.447 -18.407 652 HB3 ALA 90 3HB ALA 90 -23.933 -22.905 -19.081 Start of MODEL 10 1 H1 MET 10 H MET 10 0.432 -0.455 -1.464 2 HA MET 10 HA MET 10 2.425 0.583 -1.807 3 HB2 MET 10 2HB MET 10 1.444 1.944 0.676 4 HB3 MET 10 3HB MET 10 3.054 2.296 0.064 5 HG2 MET 10 2HG MET 10 2.122 3.015 -2.053 6 HG3 MET 10 3HG MET 10 0.502 2.598 -1.500 7 HE1 MET 10 1HE MET 10 3.441 5.458 -1.043 8 HE2 MET 10 2HE MET 10 2.480 5.118 -2.482 9 HE3 MET 10 3HE MET 10 2.153 6.563 -1.523 10 H SER 11 H SER 11 3.247 -1.657 -1.426 11 HA SER 11 HA SER 11 5.559 -1.592 0.181 12 HB2 SER 11 2HB SER 11 4.812 -3.579 1.671 13 HB3 SER 11 3HB SER 11 4.298 -1.955 2.124 14 HG SER 11 HG SER 11 2.409 -2.923 2.142 15 H GLU 12 H GLU 12 3.122 -3.699 -1.292 16 HA GLU 12 HA GLU 12 5.229 -5.017 -2.812 17 HB2 GLU 12 2HB GLU 12 4.077 -6.222 -0.532 18 HB3 GLU 12 3HB GLU 12 3.385 -7.036 -1.928 19 HG2 GLU 12 2HG GLU 12 5.215 -8.320 -1.726 20 HG3 GLU 12 3HG GLU 12 5.957 -7.024 -2.663 21 H THR 13 H THR 13 4.459 -4.238 -4.723 22 HA THR 13 HA THR 13 1.639 -4.606 -5.386 23 HB THR 13 HB THR 13 3.140 -3.545 -7.582 24 HG1 THR 13 HG1 THR 13 4.074 -1.757 -6.588 25 HG21 THR 13 1HG2 THR 13 1.170 -2.275 -5.676 26 HG22 THR 13 2HG2 THR 13 0.773 -3.128 -7.167 27 HG23 THR 13 3HG2 THR 13 1.665 -1.608 -7.231 28 H ILE 14 H ILE 14 0.922 -5.802 -7.158 29 HA ILE 14 HA ILE 14 2.886 -7.490 -8.529 30 HB ILE 14 HB ILE 14 0.359 -8.609 -7.315 31 HG12 ILE 14 2HG1 ILE 14 2.057 -7.973 -5.604 32 HG13 ILE 14 3HG1 ILE 14 1.759 -9.707 -5.675 33 HG21 ILE 14 1HG2 ILE 14 0.701 -10.172 -8.876 34 HG22 ILE 14 2HG2 ILE 14 2.331 -9.596 -9.224 35 HG23 ILE 14 3HG2 ILE 14 2.053 -10.691 -7.870 36 HD11 ILE 14 1HD1 ILE 14 3.919 -8.957 -7.425 37 HD12 ILE 14 2HD1 ILE 14 4.213 -8.421 -5.770 38 HD13 ILE 14 3HD1 ILE 14 3.889 -10.122 -6.102 39 HA PRO 15 HA PRO 15 0.144 -5.822 -11.718 40 HB2 PRO 15 2HB PRO 15 1.888 -6.276 -13.749 41 HB3 PRO 15 3HB PRO 15 2.001 -4.872 -12.682 42 HG2 PRO 15 2HG PRO 15 3.526 -7.446 -12.594 43 HG3 PRO 15 3HG PRO 15 4.115 -5.789 -12.371 44 HD2 PRO 15 2HD PRO 15 3.624 -7.451 -10.291 45 HD3 PRO 15 3HD PRO 15 3.399 -5.693 -10.183 46 H VAL 16 H VAL 16 -1.310 -6.878 -12.948 47 HA VAL 16 HA VAL 16 -0.728 -9.642 -13.765 48 HB VAL 16 HB VAL 16 -3.037 -10.301 -13.209 49 HG11 VAL 16 1HG1 VAL 16 -2.735 -10.464 -10.801 50 HG12 VAL 16 2HG1 VAL 16 -1.205 -10.739 -11.636 51 HG13 VAL 16 3HG1 VAL 16 -1.517 -9.190 -10.852 52 HG21 VAL 16 1HG2 VAL 16 -4.614 -8.901 -12.422 53 HG22 VAL 16 2HG2 VAL 16 -3.471 -8.010 -11.416 54 HG23 VAL 16 3HG2 VAL 16 -3.596 -7.651 -13.138 55 H SER 17 H SER 17 -1.863 -10.376 -15.611 56 HA SER 17 HA SER 17 -3.204 -8.267 -17.166 57 HB2 SER 17 2HB SER 17 -1.130 -10.241 -18.142 58 HB3 SER 17 3HB SER 17 -2.121 -9.248 -19.211 59 HG SER 17 HG SER 17 0.132 -8.540 -18.300 60 H VAL 18 H VAL 18 -5.018 -8.852 -18.241 61 HA VAL 18 HA VAL 18 -5.723 -11.709 -18.303 62 HB VAL 18 HB VAL 18 -7.703 -9.526 -17.659 63 HG11 VAL 18 1HG1 VAL 18 -8.732 -11.854 -16.721 64 HG12 VAL 18 2HG1 VAL 18 -9.085 -11.177 -18.312 65 HG13 VAL 18 3HG1 VAL 18 -7.847 -12.421 -18.136 66 HG21 VAL 18 1HG2 VAL 18 -5.754 -10.792 -15.952 67 HG22 VAL 18 2HG2 VAL 18 -6.881 -9.484 -15.591 68 HG23 VAL 18 3HG2 VAL 18 -7.394 -11.162 -15.419 69 H GLN 19 H GLN 19 -6.743 -12.413 -20.120 70 HA GLN 19 HA GLN 19 -7.126 -10.421 -22.250 71 HB2 GLN 19 2HB GLN 19 -5.484 -12.508 -22.373 72 HB3 GLN 19 3HB GLN 19 -6.961 -13.334 -22.853 73 HG2 GLN 19 2HG GLN 19 -6.804 -10.924 -24.329 74 HG3 GLN 19 3HG GLN 19 -5.233 -11.720 -24.419 75 HE21 GLN 19 1HE2 GLN 19 -5.029 -13.621 -25.523 76 HE22 GLN 19 2HE2 GLN 19 -6.291 -14.300 -26.488 77 H CYS 20 H CYS 20 -9.048 -10.235 -23.275 78 HA CYS 20 HA CYS 20 -11.149 -12.191 -22.668 79 HB2 CYS 20 2HB CYS 20 -11.286 -10.126 -21.185 80 HB3 CYS 20 3HB CYS 20 -11.661 -9.218 -22.645 81 HG CYS 20 HG CYS 20 -13.869 -10.162 -20.809 82 H CYS 21 H CYS 21 -12.788 -12.374 -24.235 83 HA CYS 21 HA CYS 21 -11.965 -12.095 -26.892 84 HB2 CYS 21 2HB CYS 21 -14.283 -13.090 -25.484 85 HB3 CYS 21 3HB CYS 21 -14.772 -12.213 -26.929 86 HG CYS 21 HG CYS 21 -12.266 -14.403 -27.383 87 H GLU 22 H GLU 22 -13.434 -9.845 -24.759 88 HA GLU 22 HA GLU 22 -14.357 -8.123 -26.923 89 HB2 GLU 22 2HB GLU 22 -15.167 -8.537 -24.262 90 HB3 GLU 22 3HB GLU 22 -14.497 -6.913 -24.308 91 HG2 GLU 22 2HG GLU 22 -15.995 -6.342 -26.148 92 HG3 GLU 22 3HG GLU 22 -16.668 -7.971 -26.104 93 H GLY 23 H GLY 23 -11.665 -8.509 -24.805 94 HA2 GLY 23 2HA GLY 23 -9.919 -6.872 -26.119 95 HA3 GLY 23 3HA GLY 23 -10.724 -5.799 -24.983 96 H ARG 24 H ARG 24 -8.343 -5.670 -24.343 97 HA ARG 24 HA ARG 24 -7.661 -7.841 -22.478 98 HB2 ARG 24 2HB ARG 24 -6.072 -7.025 -24.388 99 HB3 ARG 24 3HB ARG 24 -5.738 -5.691 -23.292 100 HG2 ARG 24 2HG ARG 24 -4.702 -7.044 -21.743 101 HG3 ARG 24 3HG ARG 24 -5.529 -8.498 -22.305 102 HD2 ARG 24 2HD ARG 24 -4.013 -8.890 -23.932 103 HD3 ARG 24 3HD ARG 24 -3.782 -7.176 -24.275 104 HE ARG 24 HE ARG 24 -2.216 -8.808 -22.525 105 HH11 ARG 24 1HH1 ARG 24 -3.340 -5.565 -23.110 106 HH12 ARG 24 2HH1 ARG 24 -2.013 -4.817 -22.284 107 HH21 ARG 24 1HH2 ARG 24 -0.465 -7.834 -21.435 108 HH22 ARG 24 2HH2 ARG 24 -0.378 -6.108 -21.333 109 H PHE 25 H PHE 25 -7.164 -7.401 -20.346 110 HA PHE 25 HA PHE 25 -7.412 -4.638 -19.415 111 HB2 PHE 25 2HB PHE 25 -9.535 -6.409 -19.228 112 HB3 PHE 25 3HB PHE 25 -8.779 -6.509 -17.641 113 HD1 PHE 25 HD1 PHE 25 -9.965 -4.002 -20.125 114 HD2 PHE 25 HD2 PHE 25 -9.337 -4.962 -16.026 115 HE1 PHE 25 HE1 PHE 25 -11.083 -1.911 -19.468 116 HE2 PHE 25 HE2 PHE 25 -10.455 -2.873 -15.362 117 HZ PHE 25 HZ PHE 25 -11.330 -1.345 -17.084 118 H GLU 26 H GLU 26 -5.943 -4.144 -17.913 119 HA GLU 26 HA GLU 26 -4.615 -6.357 -16.491 120 HB2 GLU 26 2HB GLU 26 -2.516 -5.160 -16.622 121 HB3 GLU 26 3HB GLU 26 -3.168 -5.373 -18.241 122 HG2 GLU 26 2HG GLU 26 -2.568 -3.200 -18.394 123 HG3 GLU 26 3HG GLU 26 -4.188 -2.980 -17.737 124 H LEU 27 H LEU 27 -3.870 -5.919 -14.371 125 HA LEU 27 HA LEU 27 -4.571 -3.399 -13.126 126 HB2 LEU 27 2HB LEU 27 -6.346 -5.606 -13.040 127 HB3 LEU 27 3HB LEU 27 -5.641 -5.427 -11.435 128 HG LEU 27 HG LEU 27 -6.335 -2.905 -11.785 129 HD11 LEU 27 1HD1 LEU 27 -7.381 -4.075 -14.104 130 HD12 LEU 27 2HD1 LEU 27 -7.677 -2.449 -13.490 131 HD13 LEU 27 3HD1 LEU 27 -8.762 -3.768 -13.050 132 HD21 LEU 27 1HD2 LEU 27 -7.113 -4.505 -10.036 133 HD22 LEU 27 2HD2 LEU 27 -8.396 -5.007 -11.138 134 HD23 LEU 27 3HD2 LEU 27 -8.337 -3.344 -10.552 135 H SER 28 H SER 28 -3.936 -3.393 -10.779 136 HA SER 28 HA SER 28 -1.749 -5.282 -10.234 137 HB2 SER 28 2HB SER 28 -1.291 -2.559 -9.231 138 HB3 SER 28 3HB SER 28 -0.181 -3.665 -10.042 139 HG SER 28 HG SER 28 -1.828 -1.697 -11.100 140 H VAL 29 H VAL 29 -1.887 -6.195 -8.296 141 HA VAL 29 HA VAL 29 -3.095 -4.745 -6.071 142 HB VAL 29 HB VAL 29 -4.608 -6.519 -5.467 143 HG11 VAL 29 1HG1 VAL 29 -5.529 -4.857 -6.939 144 HG12 VAL 29 2HG1 VAL 29 -4.901 -5.703 -8.355 145 HG13 VAL 29 3HG1 VAL 29 -6.181 -6.433 -7.386 146 HG21 VAL 29 1HG2 VAL 29 -3.665 -8.526 -6.093 147 HG22 VAL 29 2HG2 VAL 29 -4.946 -8.356 -7.295 148 HG23 VAL 29 3HG2 VAL 29 -3.280 -7.961 -7.719 149 H ASP 30 H ASP 30 -2.535 -5.566 -4.015 150 HA ASP 30 HA ASP 30 0.029 -6.843 -3.941 151 HB2 ASP 30 2HB ASP 30 -1.842 -6.029 -1.707 152 HB3 ASP 30 3HB ASP 30 -0.188 -6.593 -1.481 153 H SER 31 H SER 31 0.562 -8.878 -3.277 154 HA SER 31 HA SER 31 -1.545 -10.855 -3.390 155 HB2 SER 31 2HB SER 31 0.688 -12.297 -2.846 156 HB3 SER 31 3HB SER 31 0.220 -11.796 -4.470 157 HG SER 31 HG SER 31 2.462 -11.292 -3.521 158 H ASN 32 H ASN 32 -2.434 -11.909 -1.724 159 HA ASN 32 HA ASN 32 -1.186 -12.450 0.733 160 HB2 ASN 32 2HB ASN 32 -2.380 -10.920 2.221 161 HB3 ASN 32 3HB ASN 32 -1.396 -10.018 1.072 162 HD21 ASN 32 1HD2 ASN 32 -2.571 -9.329 -0.935 163 HD22 ASN 32 2HD2 ASN 32 -4.184 -8.743 -0.734 164 H HIS 33 H HIS 33 -4.281 -11.732 -0.832 165 HA HIS 33 HA HIS 33 -5.592 -13.817 0.738 166 HB2 HIS 33 2HB HIS 33 -6.444 -11.380 -0.504 167 HB3 HIS 33 3HB HIS 33 -7.376 -12.716 -1.172 168 HD1 HIS 33 HD1 HIS 33 -7.950 -10.326 1.157 169 HD2 HIS 33 HD2 HIS 33 -7.954 -14.469 1.461 170 HE1 HIS 33 HE1 HIS 33 -9.364 -10.851 3.169 171 H THR 34 H THR 34 -7.231 -15.166 -0.590 172 HA THR 34 HA THR 34 -5.711 -16.701 -2.467 173 HB THR 34 HB THR 34 -7.539 -18.224 -2.521 174 HG1 THR 34 HG1 THR 34 -9.542 -17.426 -1.307 175 HG21 THR 34 1HG2 THR 34 -7.338 -16.975 0.221 176 HG22 THR 34 2HG2 THR 34 -6.337 -18.276 -0.424 177 HG23 THR 34 3HG2 THR 34 -8.051 -18.552 -0.114 178 H LEU 35 H LEU 35 -7.008 -17.482 -4.513 179 HA LEU 35 HA LEU 35 -6.998 -15.440 -6.374 180 HB2 LEU 35 2HB LEU 35 -7.192 -18.108 -6.522 181 HB3 LEU 35 3HB LEU 35 -8.866 -17.681 -6.870 182 HG LEU 35 HG LEU 35 -7.572 -18.019 -8.914 183 HD11 LEU 35 1HD1 LEU 35 -8.098 -15.078 -8.723 184 HD12 LEU 35 2HD1 LEU 35 -9.418 -16.243 -8.629 185 HD13 LEU 35 3HD1 LEU 35 -8.398 -16.182 -10.066 186 HD21 LEU 35 1HD2 LEU 35 -5.527 -16.774 -7.537 187 HD22 LEU 35 2HD2 LEU 35 -6.009 -15.578 -8.742 188 HD23 LEU 35 3HD2 LEU 35 -5.528 -17.198 -9.249 189 H ARG 36 H ARG 36 -9.543 -16.459 -4.236 190 HA ARG 36 HA ARG 36 -11.802 -15.471 -5.474 191 HB2 ARG 36 2HB ARG 36 -11.127 -16.403 -2.913 192 HB3 ARG 36 3HB ARG 36 -11.847 -14.819 -2.661 193 HG2 ARG 36 2HG ARG 36 -13.430 -16.249 -4.546 194 HG3 ARG 36 3HG ARG 36 -13.143 -17.275 -3.139 195 HD2 ARG 36 2HD ARG 36 -13.998 -15.578 -1.664 196 HD3 ARG 36 3HD ARG 36 -14.134 -14.432 -2.997 197 HE ARG 36 HE ARG 36 -15.977 -16.529 -2.319 198 HH11 ARG 36 1HH1 ARG 36 -14.781 -14.489 -4.874 199 HH12 ARG 36 2HH1 ARG 36 -16.225 -14.608 -5.823 200 HH21 ARG 36 1HH2 ARG 36 -17.884 -16.694 -3.559 201 HH22 ARG 36 2HH2 ARG 36 -17.990 -15.862 -5.074 202 H ASP 37 H ASP 37 -9.214 -13.738 -3.903 203 HA ASP 37 HA ASP 37 -10.609 -11.231 -3.785 204 HB2 ASP 37 2HB ASP 37 -8.904 -11.519 -2.165 205 HB3 ASP 37 3HB ASP 37 -7.732 -12.031 -3.377 206 H VAL 38 H VAL 38 -8.054 -12.596 -5.845 207 HA VAL 38 HA VAL 38 -7.710 -10.359 -7.503 208 HB VAL 38 HB VAL 38 -7.354 -13.249 -8.304 209 HG11 VAL 38 1HG1 VAL 38 -6.384 -10.638 -9.409 210 HG12 VAL 38 2HG1 VAL 38 -5.491 -12.133 -9.692 211 HG13 VAL 38 3HG1 VAL 38 -7.159 -11.982 -10.247 212 HG21 VAL 38 1HG2 VAL 38 -6.122 -12.975 -6.301 213 HG22 VAL 38 2HG2 VAL 38 -4.958 -12.828 -7.617 214 HG23 VAL 38 3HG2 VAL 38 -5.541 -11.384 -6.790 215 H LEU 39 H LEU 39 -9.826 -13.188 -7.825 216 HA LEU 39 HA LEU 39 -10.905 -12.413 -10.339 217 HB2 LEU 39 2HB LEU 39 -11.046 -14.694 -9.813 218 HB3 LEU 39 3HB LEU 39 -11.736 -14.371 -8.225 219 HG LEU 39 HG LEU 39 -13.372 -13.503 -10.517 220 HD11 LEU 39 1HD1 LEU 39 -13.991 -15.574 -11.313 221 HD12 LEU 39 2HD1 LEU 39 -13.373 -16.423 -9.896 222 HD13 LEU 39 3HD1 LEU 39 -12.252 -15.778 -11.095 223 HD21 LEU 39 1HD2 LEU 39 -14.906 -13.522 -8.916 224 HD22 LEU 39 2HD2 LEU 39 -13.679 -14.062 -7.771 225 HD23 LEU 39 3HD2 LEU 39 -14.648 -15.246 -8.649 226 H ARG 40 H ARG 40 -11.834 -11.865 -6.995 227 HA ARG 40 HA ARG 40 -14.422 -10.915 -7.359 228 HB2 ARG 40 2HB ARG 40 -12.347 -10.689 -5.289 229 HB3 ARG 40 3HB ARG 40 -13.500 -9.361 -5.306 230 HG2 ARG 40 2HG ARG 40 -15.341 -10.906 -5.061 231 HG3 ARG 40 3HG ARG 40 -14.233 -12.277 -5.153 232 HD2 ARG 40 2HD ARG 40 -14.743 -11.917 -2.853 233 HD3 ARG 40 3HD ARG 40 -13.086 -11.379 -3.122 234 HE ARG 40 HE ARG 40 -14.613 -9.131 -3.438 235 HH11 ARG 40 1HH1 ARG 40 -14.154 -11.485 -0.914 236 HH12 ARG 40 2HH1 ARG 40 -14.480 -10.366 0.368 237 HH21 ARG 40 1HH2 ARG 40 -15.044 -7.648 -1.759 238 HH22 ARG 40 2HH2 ARG 40 -14.987 -8.184 -0.114 239 H GLN 41 H GLN 41 -11.344 -9.150 -7.456 240 HA GLN 41 HA GLN 41 -12.587 -6.637 -8.037 241 HB2 GLN 41 2HB GLN 41 -10.099 -7.417 -7.146 242 HB3 GLN 41 3HB GLN 41 -9.772 -6.899 -8.794 243 HG2 GLN 41 2HG GLN 41 -10.174 -4.731 -8.340 244 HG3 GLN 41 3HG GLN 41 -11.459 -5.097 -7.190 245 HE21 GLN 41 1HE2 GLN 41 -8.108 -6.206 -7.245 246 HE22 GLN 41 2HE2 GLN 41 -7.667 -5.516 -5.724 247 H PHE 42 H PHE 42 -10.739 -9.000 -9.944 248 HA PHE 42 HA PHE 42 -10.728 -7.680 -12.378 249 HB2 PHE 42 2HB PHE 42 -9.408 -9.626 -12.226 250 HB3 PHE 42 3HB PHE 42 -10.762 -10.605 -11.673 251 HD1 PHE 42 HD1 PHE 42 -9.803 -8.535 -14.627 252 HD2 PHE 42 HD2 PHE 42 -11.690 -12.064 -13.176 253 HE1 PHE 42 HE1 PHE 42 -10.213 -9.264 -16.941 254 HE2 PHE 42 HE2 PHE 42 -12.103 -12.798 -15.488 255 HZ PHE 42 HZ PHE 42 -11.363 -11.398 -17.374 256 H LYS 43 H LYS 43 -13.146 -9.978 -11.142 257 HA LYS 43 HA LYS 43 -14.868 -9.731 -13.392 258 HB2 LYS 43 2HB LYS 43 -16.379 -11.104 -12.206 259 HB3 LYS 43 3HB LYS 43 -14.779 -11.651 -11.721 260 HG2 LYS 43 2HG LYS 43 -15.720 -11.556 -9.673 261 HG3 LYS 43 3HG LYS 43 -15.208 -9.871 -9.783 262 HD2 LYS 43 2HD LYS 43 -17.329 -9.102 -9.991 263 HD3 LYS 43 3HD LYS 43 -17.860 -10.505 -10.920 264 HE2 LYS 43 2HE LYS 43 -17.170 -11.245 -8.217 265 HE3 LYS 43 3HE LYS 43 -18.377 -9.960 -8.232 266 HZ1 LYS 43 1HZ LYS 43 -19.077 -11.864 -10.164 267 HZ2 LYS 43 2HZ LYS 43 -19.909 -11.448 -8.752 268 HZ3 LYS 43 3HZ LYS 43 -18.754 -12.684 -8.720 269 H ARG 44 H ARG 44 -14.529 -8.009 -10.376 270 HA ARG 44 HA ARG 44 -17.052 -6.712 -10.409 271 HB2 ARG 44 2HB ARG 44 -15.852 -6.812 -8.344 272 HB3 ARG 44 3HB ARG 44 -14.441 -6.041 -9.056 273 HG2 ARG 44 2HG ARG 44 -15.513 -3.944 -9.158 274 HG3 ARG 44 3HG ARG 44 -17.095 -4.656 -8.831 275 HD2 ARG 44 2HD ARG 44 -15.319 -5.360 -6.717 276 HD3 ARG 44 3HD ARG 44 -15.210 -3.621 -6.987 277 HE ARG 44 HE ARG 44 -17.416 -5.054 -5.869 278 HH11 ARG 44 1HH1 ARG 44 -16.524 -2.236 -7.707 279 HH12 ARG 44 2HH1 ARG 44 -17.921 -1.326 -7.237 280 HH21 ARG 44 1HH2 ARG 44 -19.260 -3.866 -5.242 281 HH22 ARG 44 2HH2 ARG 44 -19.476 -2.254 -5.833 282 H GLU 45 H GLU 45 -14.057 -6.153 -12.048 283 HA GLU 45 HA GLU 45 -14.911 -3.480 -12.890 284 HB2 GLU 45 2HB GLU 45 -12.288 -4.944 -13.215 285 HB3 GLU 45 3HB GLU 45 -12.617 -3.359 -13.899 286 HG2 GLU 45 2HG GLU 45 -12.930 -3.868 -10.968 287 HG3 GLU 45 3HG GLU 45 -11.355 -3.505 -11.672 288 H VAL 46 H VAL 46 -14.099 -6.666 -14.171 289 HA VAL 46 HA VAL 46 -14.216 -6.112 -16.897 290 HB VAL 46 HB VAL 46 -13.618 -8.321 -15.620 291 HG11 VAL 46 1HG1 VAL 46 -16.372 -9.104 -16.487 292 HG12 VAL 46 2HG1 VAL 46 -15.272 -9.925 -15.378 293 HG13 VAL 46 3HG1 VAL 46 -16.098 -8.450 -14.872 294 HG21 VAL 46 1HG2 VAL 46 -14.959 -8.257 -18.320 295 HG22 VAL 46 2HG2 VAL 46 -13.245 -8.019 -17.980 296 HG23 VAL 46 3HG2 VAL 46 -13.985 -9.597 -17.716 297 H ALA 47 H ALA 47 -16.750 -6.345 -14.554 298 HA ALA 47 HA ALA 47 -18.899 -6.849 -16.346 299 HB1 ALA 47 1HB ALA 47 -19.064 -5.484 -13.666 300 HB2 ALA 47 2HB ALA 47 -20.344 -6.353 -14.514 301 HB3 ALA 47 3HB ALA 47 -18.955 -7.232 -13.875 302 H ALA 48 H ALA 48 -16.985 -4.115 -15.773 303 HA ALA 48 HA ALA 48 -18.848 -2.037 -16.175 304 HB1 ALA 48 1HB ALA 48 -15.880 -2.163 -16.669 305 HB2 ALA 48 2HB ALA 48 -16.838 -0.689 -16.806 306 HB3 ALA 48 3HB ALA 48 -16.710 -1.517 -15.254 307 H LEU 49 H LEU 49 -16.926 -3.974 -18.412 308 HA LEU 49 HA LEU 49 -18.319 -2.666 -20.654 309 HB2 LEU 49 2HB LEU 49 -16.371 -3.807 -21.964 310 HB3 LEU 49 3HB LEU 49 -16.116 -2.277 -21.127 311 HG LEU 49 HG LEU 49 -15.485 -4.751 -19.623 312 HD11 LEU 49 1HD1 LEU 49 -14.630 -4.923 -22.079 313 HD12 LEU 49 2HD1 LEU 49 -13.548 -5.295 -20.737 314 HD13 LEU 49 3HD1 LEU 49 -13.444 -3.731 -21.545 315 HD21 LEU 49 1HD2 LEU 49 -14.185 -3.369 -18.414 316 HD22 LEU 49 2HD2 LEU 49 -15.183 -2.110 -19.142 317 HD23 LEU 49 3HD2 LEU 49 -13.607 -2.497 -19.834 318 H ASP 50 H ASP 50 -17.719 -5.633 -19.005 319 HA ASP 50 HA ASP 50 -18.946 -7.194 -21.161 320 HB2 ASP 50 2HB ASP 50 -16.804 -7.778 -19.577 321 HB3 ASP 50 3HB ASP 50 -18.101 -8.596 -18.711 322 HA PRO 51 HA PRO 51 -22.710 -6.650 -18.727 323 HB2 PRO 51 2HB PRO 51 -24.366 -7.501 -20.702 324 HB3 PRO 51 3HB PRO 51 -23.708 -5.861 -20.640 325 HG2 PRO 51 2HG PRO 51 -22.787 -8.213 -22.247 326 HG3 PRO 51 3HG PRO 51 -22.961 -6.520 -22.742 327 HD2 PRO 51 2HD PRO 51 -20.569 -7.608 -22.088 328 HD3 PRO 51 3HD PRO 51 -20.957 -5.903 -21.783 329 H ILE 52 H ILE 52 -21.225 -9.415 -20.068 330 HA ILE 52 HA ILE 52 -23.221 -11.324 -19.285 331 HB ILE 52 HB ILE 52 -20.314 -11.820 -19.935 332 HG12 ILE 52 2HG1 ILE 52 -21.663 -12.610 -22.140 333 HG13 ILE 52 3HG1 ILE 52 -22.680 -11.267 -21.630 334 HG21 ILE 52 1HG2 ILE 52 -20.838 -13.869 -19.207 335 HG22 ILE 52 2HG2 ILE 52 -22.569 -13.535 -19.232 336 HG23 ILE 52 3HG2 ILE 52 -21.743 -14.019 -20.713 337 HD11 ILE 52 1HD1 ILE 52 -19.789 -10.733 -21.675 338 HD12 ILE 52 2HD1 ILE 52 -20.554 -11.008 -23.240 339 HD13 ILE 52 3HD1 ILE 52 -21.144 -9.726 -22.183 340 H ASN 53 H ASN 53 -23.169 -12.748 -17.547 341 HA ASN 53 HA ASN 53 -22.017 -11.711 -15.147 342 HB2 ASN 53 2HB ASN 53 -24.069 -13.556 -15.835 343 HB3 ASN 53 3HB ASN 53 -22.934 -14.394 -14.780 344 HD21 ASN 53 1HD2 ASN 53 -25.629 -13.678 -14.182 345 HD22 ASN 53 2HD2 ASN 53 -25.585 -12.600 -12.833 346 H LEU 54 H LEU 54 -20.503 -12.735 -13.771 347 HA LEU 54 HA LEU 54 -18.277 -13.860 -15.124 348 HB2 LEU 54 2HB LEU 54 -18.000 -12.470 -13.159 349 HB3 LEU 54 3HB LEU 54 -18.890 -13.634 -12.181 350 HG LEU 54 HG LEU 54 -16.952 -15.250 -12.928 351 HD11 LEU 54 1HD1 LEU 54 -15.400 -14.249 -14.169 352 HD12 LEU 54 2HD1 LEU 54 -14.919 -13.395 -12.703 353 HD13 LEU 54 3HD1 LEU 54 -16.050 -12.645 -13.830 354 HD21 LEU 54 1HD2 LEU 54 -16.054 -14.982 -10.834 355 HD22 LEU 54 2HD2 LEU 54 -17.614 -14.185 -10.626 356 HD23 LEU 54 3HD2 LEU 54 -16.159 -13.222 -10.892 357 H GLU 55 H GLU 55 -21.017 -15.205 -13.481 358 HA GLU 55 HA GLU 55 -19.885 -17.810 -13.086 359 HB2 GLU 55 2HB GLU 55 -22.278 -16.444 -12.347 360 HB3 GLU 55 3HB GLU 55 -22.728 -17.938 -13.157 361 HG2 GLU 55 2HG GLU 55 -21.498 -19.247 -11.597 362 HG3 GLU 55 3HG GLU 55 -20.765 -17.811 -10.885 363 H GLU 56 H GLU 56 -20.987 -16.159 -15.784 364 HA GLU 56 HA GLU 56 -22.063 -18.452 -17.182 365 HB2 GLU 56 2HB GLU 56 -21.351 -15.739 -18.303 366 HB3 GLU 56 3HB GLU 56 -22.390 -16.949 -19.041 367 HG2 GLU 56 2HG GLU 56 -23.020 -15.663 -16.404 368 HG3 GLU 56 3HG GLU 56 -23.539 -14.990 -17.948 369 H TYR 57 H TYR 57 -19.042 -16.728 -16.939 370 HA TYR 57 HA TYR 57 -17.851 -18.646 -18.831 371 HB2 TYR 57 2HB TYR 57 -16.252 -16.916 -19.502 372 HB3 TYR 57 3HB TYR 57 -17.904 -16.394 -19.810 373 HD1 TYR 57 HD1 TYR 57 -15.055 -16.019 -17.467 374 HD2 TYR 57 HD2 TYR 57 -18.749 -14.417 -18.841 375 HE1 TYR 57 HE1 TYR 57 -14.640 -13.969 -16.173 376 HE2 TYR 57 HE2 TYR 57 -18.343 -12.361 -17.553 377 HH TYR 57 HH TYR 57 -16.975 -11.288 -16.181 378 H VAL 58 H VAL 58 -15.413 -18.816 -18.490 379 HA VAL 58 HA VAL 58 -14.782 -18.713 -15.613 380 HB VAL 58 HB VAL 58 -15.290 -21.034 -16.380 381 HG11 VAL 58 1HG1 VAL 58 -12.707 -20.939 -17.902 382 HG12 VAL 58 2HG1 VAL 58 -13.976 -22.164 -17.946 383 HG13 VAL 58 3HG1 VAL 58 -14.249 -20.584 -18.682 384 HG21 VAL 58 1HG2 VAL 58 -13.537 -22.027 -15.173 385 HG22 VAL 58 2HG2 VAL 58 -12.383 -20.785 -15.658 386 HG23 VAL 58 3HG2 VAL 58 -13.669 -20.396 -14.515 387 H VAL 59 H VAL 59 -12.569 -18.452 -15.071 388 HA VAL 59 HA VAL 59 -10.963 -17.278 -17.246 389 HB VAL 59 HB VAL 59 -11.540 -15.618 -15.581 390 HG11 VAL 59 1HG1 VAL 59 -11.756 -16.102 -13.426 391 HG12 VAL 59 2HG1 VAL 59 -11.257 -17.759 -13.772 392 HG13 VAL 59 3HG1 VAL 59 -10.053 -16.549 -13.324 393 HG21 VAL 59 1HG2 VAL 59 -9.491 -14.677 -15.539 394 HG22 VAL 59 2HG2 VAL 59 -8.741 -16.087 -14.790 395 HG23 VAL 59 3HG2 VAL 59 -9.052 -16.071 -16.526 396 H ASN 60 H ASN 60 -9.099 -18.224 -17.754 397 HA ASN 60 HA ASN 60 -7.945 -20.146 -15.840 398 HB2 ASN 60 2HB ASN 60 -7.119 -21.422 -17.780 399 HB3 ASN 60 3HB ASN 60 -8.875 -21.288 -17.794 400 HD21 ASN 60 1HD2 ASN 60 -5.934 -19.858 -19.114 401 HD22 ASN 60 2HD2 ASN 60 -6.633 -19.366 -20.615 402 H HIS 61 H HIS 61 -5.718 -20.194 -15.591 403 HA HIS 61 HA HIS 61 -4.304 -17.855 -16.684 404 HB2 HIS 61 2HB HIS 61 -4.327 -17.653 -14.335 405 HB3 HIS 61 3HB HIS 61 -4.003 -19.368 -14.098 406 HD1 HIS 61 HD1 HIS 61 -1.970 -17.186 -16.399 407 HD2 HIS 61 HD2 HIS 61 -1.651 -19.035 -12.692 408 HE1 HIS 61 HE1 HIS 61 0.442 -16.942 -15.732 409 H GLU 62 H GLU 62 -3.006 -18.347 -18.319 410 HA GLU 62 HA GLU 62 -1.579 -19.473 -19.692 411 HB2 GLU 62 2HB GLU 62 -0.426 -19.326 -17.186 412 HB3 GLU 62 3HB GLU 62 -0.271 -21.030 -17.593 413 HG2 GLU 62 2HG GLU 62 0.533 -19.859 -19.905 414 HG3 GLU 62 3HG GLU 62 1.092 -18.692 -18.708 415 H GLY 63 H GLY 63 -4.121 -20.738 -19.123 416 HA2 GLY 63 2HA GLY 63 -5.020 -22.696 -20.051 417 HA3 GLY 63 3HA GLY 63 -3.420 -23.422 -20.013 418 H LYS 64 H LYS 64 -4.267 -21.907 -17.103 419 HA LYS 64 HA LYS 64 -4.828 -24.530 -15.899 420 HB2 LYS 64 2HB LYS 64 -3.794 -22.000 -14.604 421 HB3 LYS 64 3HB LYS 64 -4.051 -23.536 -13.786 422 HG2 LYS 64 2HG LYS 64 -2.420 -24.222 -15.889 423 HG3 LYS 64 3HG LYS 64 -1.816 -22.634 -15.411 424 HD2 LYS 64 2HD LYS 64 -0.678 -23.697 -13.811 425 HD3 LYS 64 3HD LYS 64 -2.230 -23.930 -13.003 426 HE2 LYS 64 2HE LYS 64 -2.317 -25.989 -14.710 427 HE3 LYS 64 3HE LYS 64 -0.569 -25.846 -14.533 428 HZ1 LYS 64 1HZ LYS 64 -2.111 -27.248 -12.879 429 HZ2 LYS 64 2HZ LYS 64 -2.093 -25.765 -12.066 430 HZ3 LYS 64 3HZ LYS 64 -0.638 -26.555 -12.416 431 H LEU 65 H LEU 65 -6.786 -24.922 -15.106 432 HA LEU 65 HA LEU 65 -8.605 -22.645 -14.696 433 HB2 LEU 65 2HB LEU 65 -8.946 -25.359 -15.790 434 HB3 LEU 65 3HB LEU 65 -10.245 -24.790 -14.743 435 HG LEU 65 HG LEU 65 -9.621 -22.748 -16.643 436 HD11 LEU 65 1HD1 LEU 65 -8.787 -24.200 -18.231 437 HD12 LEU 65 2HD1 LEU 65 -10.505 -24.170 -18.626 438 HD13 LEU 65 3HD1 LEU 65 -9.832 -25.527 -17.722 439 HD21 LEU 65 1HD2 LEU 65 -11.754 -23.245 -15.365 440 HD22 LEU 65 2HD2 LEU 65 -12.056 -24.511 -16.556 441 HD23 LEU 65 3HD2 LEU 65 -11.938 -22.828 -17.069 442 H LEU 66 H LEU 66 -8.902 -22.125 -12.640 443 HA LEU 66 HA LEU 66 -8.466 -24.109 -10.551 444 HB2 LEU 66 2HB LEU 66 -8.733 -22.154 -9.025 445 HB3 LEU 66 3HB LEU 66 -7.399 -22.025 -10.170 446 HG LEU 66 HG LEU 66 -9.732 -20.788 -11.281 447 HD11 LEU 66 1HD1 LEU 66 -9.601 -18.865 -9.508 448 HD12 LEU 66 2HD1 LEU 66 -9.135 -20.178 -8.427 449 HD13 LEU 66 3HD1 LEU 66 -10.683 -20.237 -9.270 450 HD21 LEU 66 1HD2 LEU 66 -7.002 -19.868 -10.421 451 HD22 LEU 66 2HD2 LEU 66 -8.177 -18.791 -11.178 452 HD23 LEU 66 3HD2 LEU 66 -7.581 -20.203 -12.053 453 H LEU 67 H LEU 67 -10.189 -25.403 -10.279 454 HA LEU 67 HA LEU 67 -12.860 -24.763 -10.740 455 HB2 LEU 67 2HB LEU 67 -11.375 -26.918 -9.451 456 HB3 LEU 67 3HB LEU 67 -12.973 -26.659 -8.754 457 HG LEU 67 HG LEU 67 -13.029 -28.393 -10.459 458 HD11 LEU 67 1HD1 LEU 67 -14.763 -26.298 -10.212 459 HD12 LEU 67 2HD1 LEU 67 -15.051 -27.754 -11.164 460 HD13 LEU 67 3HD1 LEU 67 -14.425 -26.301 -11.944 461 HD21 LEU 67 1HD2 LEU 67 -12.580 -26.552 -12.702 462 HD22 LEU 67 2HD2 LEU 67 -12.098 -28.236 -12.498 463 HD23 LEU 67 3HD2 LEU 67 -11.141 -26.949 -11.763 464 H ASP 68 H ASP 68 -10.820 -24.087 -8.023 465 HA ASP 68 HA ASP 68 -13.072 -22.720 -6.723 466 HB2 ASP 68 2HB ASP 68 -11.505 -24.930 -5.664 467 HB3 ASP 68 3HB ASP 68 -11.423 -23.511 -4.623 468 H ASP 69 H ASP 69 -12.546 -20.843 -5.581 469 HA ASP 69 HA ASP 69 -9.995 -19.656 -6.376 470 HB2 ASP 69 2HB ASP 69 -12.195 -18.170 -4.972 471 HB3 ASP 69 3HB ASP 69 -10.988 -17.558 -6.100 472 H SER 70 H SER 70 -9.981 -21.625 -4.308 473 HA SER 70 HA SER 70 -9.637 -20.130 -1.829 474 HB2 SER 70 2HB SER 70 -10.681 -22.555 -2.185 475 HB3 SER 70 3HB SER 70 -8.994 -23.038 -2.008 476 HG SER 70 HG SER 70 -8.977 -21.897 -0.011 477 H VAL 71 H VAL 71 -7.768 -21.554 -4.371 478 HA VAL 71 HA VAL 71 -5.289 -21.578 -2.896 479 HB VAL 71 HB VAL 71 -4.240 -22.183 -5.018 480 HG11 VAL 71 1HG1 VAL 71 -6.518 -23.619 -3.871 481 HG12 VAL 71 2HG1 VAL 71 -6.096 -24.120 -5.510 482 HG13 VAL 71 3HG1 VAL 71 -4.885 -24.180 -4.229 483 HG21 VAL 71 1HG2 VAL 71 -6.180 -22.636 -6.851 484 HG22 VAL 71 2HG2 VAL 71 -6.775 -21.156 -6.099 485 HG23 VAL 71 3HG2 VAL 71 -5.165 -21.194 -6.818 486 H THR 72 H THR 72 -3.733 -20.053 -2.859 487 HA THR 72 HA THR 72 -4.390 -17.414 -3.786 488 HB THR 72 HB THR 72 -2.549 -16.637 -2.571 489 HG1 THR 72 HG1 THR 72 -0.824 -18.091 -1.952 490 HG21 THR 72 1HG2 THR 72 -2.985 -17.400 -0.463 491 HG22 THR 72 2HG2 THR 72 -2.910 -19.096 -0.943 492 HG23 THR 72 3HG2 THR 72 -4.346 -18.139 -1.306 493 H LEU 73 H LEU 73 -2.635 -16.097 -4.906 494 HA LEU 73 HA LEU 73 -2.249 -17.012 -7.490 495 HB2 LEU 73 2HB LEU 73 -0.448 -15.195 -7.572 496 HB3 LEU 73 3HB LEU 73 -2.104 -14.714 -7.211 497 HG LEU 73 HG LEU 73 -0.741 -15.217 -4.755 498 HD11 LEU 73 1HD1 LEU 73 1.098 -13.771 -4.815 499 HD12 LEU 73 2HD1 LEU 73 0.638 -13.106 -6.382 500 HD13 LEU 73 3HD1 LEU 73 1.258 -14.754 -6.271 501 HD21 LEU 73 1HD2 LEU 73 -2.690 -13.610 -5.580 502 HD22 LEU 73 2HD2 LEU 73 -1.350 -12.467 -5.686 503 HD23 LEU 73 3HD2 LEU 73 -1.719 -13.255 -4.151 504 H GLN 74 H GLN 74 0.047 -16.997 -4.781 505 HA GLN 74 HA GLN 74 2.141 -18.227 -6.288 506 HB2 GLN 74 2HB GLN 74 1.985 -16.893 -3.875 507 HB3 GLN 74 3HB GLN 74 2.297 -18.554 -3.388 508 HG2 GLN 74 2HG GLN 74 4.118 -18.296 -5.346 509 HG3 GLN 74 3HG GLN 74 4.031 -16.628 -4.780 510 HE21 GLN 74 1HE2 GLN 74 6.123 -18.756 -4.577 511 HE22 GLN 74 2HE2 GLN 74 6.512 -18.829 -2.895 512 H THR 75 H THR 75 -0.503 -19.364 -4.330 513 HA THR 75 HA THR 75 0.370 -21.944 -3.729 514 HB THR 75 HB THR 75 -2.444 -20.996 -4.304 515 HG1 THR 75 HG1 THR 75 -2.340 -21.237 -1.834 516 HG21 THR 75 1HG2 THR 75 -1.429 -23.533 -3.022 517 HG22 THR 75 2HG2 THR 75 -2.402 -23.389 -4.486 518 HG23 THR 75 3HG2 THR 75 -3.098 -22.974 -2.919 519 H VAL 76 H VAL 76 -1.093 -20.641 -6.654 520 HA VAL 76 HA VAL 76 -1.192 -23.264 -7.905 521 HB VAL 76 HB VAL 76 -3.036 -21.784 -8.382 522 HG11 VAL 76 1HG1 VAL 76 -0.900 -19.871 -9.291 523 HG12 VAL 76 2HG1 VAL 76 -2.598 -19.694 -9.738 524 HG13 VAL 76 3HG1 VAL 76 -2.120 -19.630 -8.041 525 HG21 VAL 76 1HG2 VAL 76 -1.526 -21.691 -10.946 526 HG22 VAL 76 2HG2 VAL 76 -1.839 -23.260 -10.205 527 HG23 VAL 76 3HG2 VAL 76 -3.184 -22.202 -10.630 528 H GLY 77 H GLY 77 0.856 -20.473 -7.803 529 HA2 GLY 77 2HA GLY 77 3.155 -20.649 -8.458 530 HA3 GLY 77 3HA GLY 77 2.677 -21.808 -9.689 531 H VAL 78 H VAL 78 1.125 -18.709 -9.038 532 HA VAL 78 HA VAL 78 1.161 -17.964 -11.772 533 HB VAL 78 HB VAL 78 0.607 -16.298 -9.315 534 HG11 VAL 78 1HG1 VAL 78 0.702 -15.627 -12.181 535 HG12 VAL 78 2HG1 VAL 78 -0.723 -15.059 -11.309 536 HG13 VAL 78 3HG1 VAL 78 0.889 -14.593 -10.764 537 HG21 VAL 78 1HG2 VAL 78 -1.369 -17.307 -9.260 538 HG22 VAL 78 2HG2 VAL 78 -1.688 -16.796 -10.918 539 HG23 VAL 78 3HG2 VAL 78 -0.883 -18.334 -10.609 540 H LYS 79 H LYS 79 2.687 -16.995 -12.930 541 HA LYS 79 HA LYS 79 5.209 -16.320 -11.782 542 HB2 LYS 79 2HB LYS 79 4.017 -16.311 -14.506 543 HB3 LYS 79 3HB LYS 79 5.422 -15.287 -14.242 544 HG2 LYS 79 2HG LYS 79 6.699 -17.217 -13.481 545 HG3 LYS 79 3HG LYS 79 5.287 -18.250 -13.718 546 HD2 LYS 79 2HD LYS 79 5.362 -17.296 -16.150 547 HD3 LYS 79 3HD LYS 79 7.041 -16.930 -15.747 548 HE2 LYS 79 2HE LYS 79 5.900 -19.659 -15.267 549 HE3 LYS 79 3HE LYS 79 6.485 -19.193 -16.863 550 HZ1 LYS 79 1HZ LYS 79 8.004 -20.217 -14.870 551 HZ2 LYS 79 2HZ LYS 79 8.323 -18.561 -14.750 552 HZ3 LYS 79 3HZ LYS 79 8.594 -19.370 -16.211 553 H LYS 80 H LYS 80 6.228 -14.129 -12.575 554 HA LYS 80 HA LYS 80 5.044 -12.075 -11.090 555 HB2 LYS 80 2HB LYS 80 7.492 -12.369 -11.906 556 HB3 LYS 80 3HB LYS 80 6.945 -11.529 -13.351 557 HG2 LYS 80 2HG LYS 80 7.389 -9.631 -12.299 558 HG3 LYS 80 3HG LYS 80 6.013 -9.973 -11.248 559 HD2 LYS 80 2HD LYS 80 7.575 -11.279 -9.783 560 HD3 LYS 80 3HD LYS 80 8.906 -10.674 -10.772 561 HE2 LYS 80 2HE LYS 80 7.034 -8.636 -9.763 562 HE3 LYS 80 3HE LYS 80 7.999 -9.456 -8.537 563 HZ1 LYS 80 1HZ LYS 80 9.929 -8.592 -9.343 564 HZ2 LYS 80 2HZ LYS 80 8.881 -7.333 -9.761 565 HZ3 LYS 80 3HZ LYS 80 9.360 -8.458 -10.930 566 H ASP 81 H ASP 81 5.159 -12.568 -14.610 567 HA ASP 81 HA ASP 81 3.720 -10.265 -15.319 568 HB2 ASP 81 2HB ASP 81 4.216 -12.896 -16.684 569 HB3 ASP 81 3HB ASP 81 3.162 -11.689 -17.415 570 H SER 82 H SER 82 2.630 -13.589 -14.716 571 HA SER 82 HA SER 82 0.569 -14.477 -14.331 572 HB2 SER 82 2HB SER 82 -0.489 -11.852 -13.387 573 HB3 SER 82 3HB SER 82 -0.646 -13.453 -12.665 574 HG SER 82 HG SER 82 0.791 -11.922 -11.563 575 H VAL 83 H VAL 83 -0.005 -14.815 -16.485 576 HA VAL 83 HA VAL 83 -1.879 -12.829 -17.600 577 HB VAL 83 HB VAL 83 0.071 -12.933 -19.012 578 HG11 VAL 83 1HG1 VAL 83 -0.400 -15.888 -19.346 579 HG12 VAL 83 2HG1 VAL 83 0.953 -14.931 -19.953 580 HG13 VAL 83 3HG1 VAL 83 0.777 -15.213 -18.220 581 HG21 VAL 83 1HG2 VAL 83 -2.092 -12.721 -20.122 582 HG22 VAL 83 2HG2 VAL 83 -0.953 -13.617 -21.127 583 HG23 VAL 83 3HG2 VAL 83 -2.212 -14.477 -20.241 584 H PHE 84 H PHE 84 -3.910 -13.502 -17.654 585 HA PHE 84 HA PHE 84 -4.438 -16.377 -18.010 586 HB2 PHE 84 2HB PHE 84 -6.592 -15.150 -16.585 587 HB3 PHE 84 3HB PHE 84 -5.536 -16.459 -16.065 588 HD1 PHE 84 HD1 PHE 84 -6.444 -13.027 -15.625 589 HD2 PHE 84 HD2 PHE 84 -3.345 -15.867 -14.957 590 HE1 PHE 84 HE1 PHE 84 -5.458 -11.547 -13.925 591 HE2 PHE 84 HE2 PHE 84 -2.355 -14.392 -13.255 592 HZ PHE 84 HZ PHE 84 -3.412 -12.229 -12.736 593 H VAL 85 H VAL 85 -5.945 -16.914 -19.493 594 HA VAL 85 HA VAL 85 -7.315 -14.696 -20.867 595 HB VAL 85 HB VAL 85 -6.547 -17.404 -21.966 596 HG11 VAL 85 1HG1 VAL 85 -8.090 -15.104 -23.104 597 HG12 VAL 85 2HG1 VAL 85 -7.177 -16.188 -24.156 598 HG13 VAL 85 3HG1 VAL 85 -8.469 -16.826 -23.137 599 HG21 VAL 85 1HG2 VAL 85 -4.537 -16.329 -21.984 600 HG22 VAL 85 2HG2 VAL 85 -5.196 -15.712 -23.499 601 HG23 VAL 85 3HG2 VAL 85 -5.268 -14.725 -22.039 602 H LEU 86 H LEU 86 -9.487 -14.795 -21.236 603 HA LEU 86 HA LEU 86 -10.916 -17.045 -19.983 604 HB2 LEU 86 2HB LEU 86 -12.710 -15.551 -19.490 605 HB3 LEU 86 3HB LEU 86 -11.209 -14.827 -18.917 606 HG LEU 86 HG LEU 86 -11.366 -13.642 -21.312 607 HD11 LEU 86 1HD1 LEU 86 -14.217 -13.429 -20.644 608 HD12 LEU 86 2HD1 LEU 86 -13.725 -14.972 -21.342 609 HD13 LEU 86 3HD1 LEU 86 -13.414 -13.471 -22.214 610 HD21 LEU 86 1HD2 LEU 86 -13.111 -12.374 -19.315 611 HD22 LEU 86 2HD2 LEU 86 -11.654 -11.767 -20.104 612 HD23 LEU 86 3HD2 LEU 86 -11.521 -12.861 -18.726 613 H VAL 87 H VAL 87 -12.368 -18.181 -21.142 614 HA VAL 87 HA VAL 87 -12.957 -17.248 -23.877 615 HB VAL 87 HB VAL 87 -12.579 -20.102 -22.958 616 HG11 VAL 87 1HG1 VAL 87 -12.722 -20.554 -25.444 617 HG12 VAL 87 2HG1 VAL 87 -14.235 -20.125 -24.644 618 HG13 VAL 87 3HG1 VAL 87 -13.375 -18.924 -25.608 619 HG21 VAL 87 1HG2 VAL 87 -10.848 -18.182 -24.467 620 HG22 VAL 87 2HG2 VAL 87 -10.427 -19.243 -23.123 621 HG23 VAL 87 3HG2 VAL 87 -10.699 -19.920 -24.729 622 H ARG 88 H ARG 88 -15.035 -17.373 -24.587 623 HA ARG 88 HA ARG 88 -17.089 -17.648 -22.611 624 HB2 ARG 88 2HB ARG 88 -16.845 -16.301 -25.015 625 HB3 ARG 88 3HB ARG 88 -17.995 -17.579 -25.386 626 HG2 ARG 88 2HG ARG 88 -18.784 -16.501 -22.916 627 HG3 ARG 88 3HG ARG 88 -18.403 -15.134 -23.965 628 HD2 ARG 88 2HD ARG 88 -20.349 -17.373 -24.485 629 HD3 ARG 88 3HD ARG 88 -20.710 -15.661 -24.267 630 HE ARG 88 HE ARG 88 -18.995 -15.875 -26.445 631 HH11 ARG 88 1HH1 ARG 88 -22.210 -16.872 -25.552 632 HH12 ARG 88 2HH1 ARG 88 -22.811 -16.841 -27.177 633 HH21 ARG 88 1HH2 ARG 88 -19.775 -15.832 -28.588 634 HH22 ARG 88 2HH2 ARG 88 -21.425 -16.250 -28.903 635 H LYS 89 H LYS 89 -17.296 -19.720 -21.897 636 HA LYS 89 HA LYS 89 -17.419 -21.935 -23.751 637 HB2 LYS 89 2HB LYS 89 -16.331 -22.348 -21.655 638 HB3 LYS 89 3HB LYS 89 -17.717 -21.749 -20.753 639 HG2 LYS 89 2HG LYS 89 -19.047 -23.645 -21.556 640 HG3 LYS 89 3HG LYS 89 -17.637 -24.252 -22.427 641 HD2 LYS 89 2HD LYS 89 -16.733 -25.121 -20.571 642 HD3 LYS 89 3HD LYS 89 -17.101 -23.684 -19.614 643 HE2 LYS 89 2HE LYS 89 -19.493 -24.493 -19.554 644 HE3 LYS 89 3HE LYS 89 -18.910 -26.008 -20.241 645 HZ1 LYS 89 1HZ LYS 89 -18.991 -26.292 -17.914 646 HZ2 LYS 89 2HZ LYS 89 -18.207 -24.823 -17.617 647 HZ3 LYS 89 3HZ LYS 89 -17.354 -26.114 -18.299 648 H ALA 90 H ALA 90 -19.626 -19.890 -22.012 649 HA ALA 90 HA ALA 90 -21.860 -21.195 -23.374 650 HB1 ALA 90 1HB ALA 90 -21.365 -21.719 -20.715 651 HB2 ALA 90 2HB ALA 90 -22.585 -20.447 -20.660 652 HB3 ALA 90 3HB ALA 90 -22.904 -21.936 -21.548 Start of MODEL 11 1 H1 MET 10 H MET 10 0.059 0.604 -0.709 2 HA MET 10 HA MET 10 1.623 -0.288 -2.225 3 HB2 MET 10 2HB MET 10 1.580 2.266 -2.147 4 HB3 MET 10 3HB MET 10 3.085 2.158 -1.243 5 HG2 MET 10 2HG MET 10 3.780 0.639 -3.292 6 HG3 MET 10 3HG MET 10 2.538 1.593 -4.099 7 HE1 MET 10 1HE MET 10 3.570 5.069 -4.078 8 HE2 MET 10 2HE MET 10 3.776 4.034 -5.490 9 HE3 MET 10 3HE MET 10 2.401 3.792 -4.412 10 H SER 11 H SER 11 2.187 -2.121 -0.710 11 HA SER 11 HA SER 11 4.978 -1.866 0.204 12 HB2 SER 11 2HB SER 11 2.868 -3.802 1.190 13 HB3 SER 11 3HB SER 11 4.515 -3.658 1.804 14 HG SER 11 HG SER 11 2.511 -2.433 2.769 15 H GLU 12 H GLU 12 2.640 -4.165 -1.179 16 HA GLU 12 HA GLU 12 4.830 -5.320 -2.756 17 HB2 GLU 12 2HB GLU 12 3.395 -6.631 -0.641 18 HB3 GLU 12 3HB GLU 12 3.040 -7.426 -2.168 19 HG2 GLU 12 2HG GLU 12 4.895 -8.543 -1.248 20 HG3 GLU 12 3HG GLU 12 5.518 -7.547 -2.562 21 H THR 13 H THR 13 4.170 -4.446 -4.669 22 HA THR 13 HA THR 13 1.393 -4.772 -5.509 23 HB THR 13 HB THR 13 2.608 -3.592 -7.638 24 HG1 THR 13 HG1 THR 13 4.588 -3.199 -6.868 25 HG21 THR 13 1HG2 THR 13 1.320 -2.487 -5.171 26 HG22 THR 13 2HG2 THR 13 0.688 -2.583 -6.815 27 HG23 THR 13 3HG2 THR 13 1.929 -1.396 -6.415 28 H ILE 14 H ILE 14 0.777 -5.878 -7.377 29 HA ILE 14 HA ILE 14 2.812 -7.518 -8.703 30 HB ILE 14 HB ILE 14 0.206 -8.679 -7.719 31 HG12 ILE 14 2HG1 ILE 14 2.997 -9.000 -6.593 32 HG13 ILE 14 3HG1 ILE 14 1.661 -8.155 -5.818 33 HG21 ILE 14 1HG2 ILE 14 1.161 -10.805 -8.382 34 HG22 ILE 14 2HG2 ILE 14 1.149 -9.695 -9.751 35 HG23 ILE 14 3HG2 ILE 14 2.651 -10.006 -8.882 36 HD11 ILE 14 1HD1 ILE 14 1.950 -10.335 -4.838 37 HD12 ILE 14 2HD1 ILE 14 0.420 -10.274 -5.713 38 HD13 ILE 14 3HD1 ILE 14 1.809 -11.098 -6.421 39 HA PRO 15 HA PRO 15 0.281 -5.688 -11.976 40 HB2 PRO 15 2HB PRO 15 2.140 -6.075 -13.917 41 HB3 PRO 15 3HB PRO 15 2.201 -4.719 -12.784 42 HG2 PRO 15 2HG PRO 15 3.695 -7.312 -12.717 43 HG3 PRO 15 3HG PRO 15 4.285 -5.673 -12.388 44 HD2 PRO 15 2HD PRO 15 3.654 -7.417 -10.415 45 HD3 PRO 15 3HD PRO 15 3.439 -5.663 -10.244 46 H VAL 16 H VAL 16 -1.300 -6.887 -12.810 47 HA VAL 16 HA VAL 16 -0.625 -9.536 -13.919 48 HB VAL 16 HB VAL 16 -2.990 -10.176 -13.443 49 HG11 VAL 16 1HG1 VAL 16 -0.903 -9.662 -11.438 50 HG12 VAL 16 2HG1 VAL 16 -2.518 -9.949 -10.786 51 HG13 VAL 16 3HG1 VAL 16 -1.760 -11.152 -11.831 52 HG21 VAL 16 1HG2 VAL 16 -4.432 -8.857 -12.185 53 HG22 VAL 16 2HG2 VAL 16 -3.131 -7.826 -11.589 54 HG23 VAL 16 3HG2 VAL 16 -3.669 -7.688 -13.263 55 H SER 17 H SER 17 -1.747 -10.208 -15.800 56 HA SER 17 HA SER 17 -3.068 -8.041 -17.294 57 HB2 SER 17 2HB SER 17 -1.356 -10.080 -18.684 58 HB3 SER 17 3HB SER 17 -1.842 -8.477 -19.236 59 HG SER 17 HG SER 17 -0.450 -7.594 -17.659 60 H VAL 18 H VAL 18 -4.901 -8.572 -18.347 61 HA VAL 18 HA VAL 18 -5.637 -11.423 -18.466 62 HB VAL 18 HB VAL 18 -7.589 -9.185 -17.936 63 HG11 VAL 18 1HG1 VAL 18 -8.670 -11.520 -17.006 64 HG12 VAL 18 2HG1 VAL 18 -9.015 -10.790 -18.575 65 HG13 VAL 18 3HG1 VAL 18 -7.795 -12.057 -18.439 66 HG21 VAL 18 1HG2 VAL 18 -6.869 -9.137 -15.833 67 HG22 VAL 18 2HG2 VAL 18 -7.407 -10.809 -15.667 68 HG23 VAL 18 3HG2 VAL 18 -5.742 -10.461 -16.132 69 H GLN 19 H GLN 19 -6.588 -12.133 -20.315 70 HA GLN 19 HA GLN 19 -6.848 -10.163 -22.485 71 HB2 GLN 19 2HB GLN 19 -5.700 -12.838 -22.336 72 HB3 GLN 19 3HB GLN 19 -6.844 -12.674 -23.661 73 HG2 GLN 19 2HG GLN 19 -5.609 -10.881 -24.614 74 HG3 GLN 19 3HG GLN 19 -4.573 -10.764 -23.193 75 HE21 GLN 19 1HE2 GLN 19 -3.193 -12.619 -22.729 76 HE22 GLN 19 2HE2 GLN 19 -2.565 -13.542 -24.047 77 H CYS 20 H CYS 20 -8.718 -9.974 -23.606 78 HA CYS 20 HA CYS 20 -10.875 -11.886 -23.049 79 HB2 CYS 20 2HB CYS 20 -10.844 -9.487 -21.808 80 HB3 CYS 20 3HB CYS 20 -11.673 -9.045 -23.295 81 HG CYS 20 HG CYS 20 -13.703 -9.470 -21.543 82 H CYS 21 H CYS 21 -12.440 -12.091 -24.684 83 HA CYS 21 HA CYS 21 -11.498 -11.901 -27.306 84 HB2 CYS 21 2HB CYS 21 -13.343 -13.408 -26.408 85 HB3 CYS 21 3HB CYS 21 -14.416 -12.021 -26.548 86 HG CYS 21 HG CYS 21 -15.015 -12.409 -29.007 87 H GLU 22 H GLU 22 -13.112 -9.587 -25.318 88 HA GLU 22 HA GLU 22 -13.837 -7.898 -27.575 89 HB2 GLU 22 2HB GLU 22 -14.323 -7.790 -24.619 90 HB3 GLU 22 3HB GLU 22 -14.526 -6.341 -25.593 91 HG2 GLU 22 2HG GLU 22 -16.473 -7.034 -26.410 92 HG3 GLU 22 3HG GLU 22 -15.858 -8.652 -26.741 93 H GLY 23 H GLY 23 -11.299 -8.269 -25.273 94 HA2 GLY 23 2HA GLY 23 -9.448 -6.680 -26.505 95 HA3 GLY 23 3HA GLY 23 -10.309 -5.578 -25.441 96 H ARG 24 H ARG 24 -7.876 -5.564 -24.761 97 HA ARG 24 HA ARG 24 -7.447 -7.635 -22.715 98 HB2 ARG 24 2HB ARG 24 -5.060 -6.879 -22.776 99 HB3 ARG 24 3HB ARG 24 -5.634 -7.590 -24.278 100 HG2 ARG 24 2HG ARG 24 -5.148 -5.752 -25.415 101 HG3 ARG 24 3HG ARG 24 -6.048 -4.743 -24.281 102 HD2 ARG 24 2HD ARG 24 -4.197 -4.223 -23.060 103 HD3 ARG 24 3HD ARG 24 -3.409 -5.764 -23.400 104 HE ARG 24 HE ARG 24 -2.379 -4.786 -25.187 105 HH11 ARG 24 1HH1 ARG 24 -5.122 -2.846 -24.276 106 HH12 ARG 24 2HH1 ARG 24 -4.753 -1.568 -25.386 107 HH21 ARG 24 1HH2 ARG 24 -1.882 -3.111 -26.653 108 HH22 ARG 24 2HH2 ARG 24 -2.910 -1.721 -26.739 109 H PHE 25 H PHE 25 -6.851 -7.045 -20.617 110 HA PHE 25 HA PHE 25 -6.967 -4.203 -19.930 111 HB2 PHE 25 2HB PHE 25 -9.165 -5.850 -19.579 112 HB3 PHE 25 3HB PHE 25 -8.400 -5.853 -17.993 113 HD1 PHE 25 HD1 PHE 25 -9.515 -3.519 -20.670 114 HD2 PHE 25 HD2 PHE 25 -8.850 -4.142 -16.512 115 HE1 PHE 25 HE1 PHE 25 -10.529 -1.331 -20.184 116 HE2 PHE 25 HE2 PHE 25 -9.863 -1.955 -16.019 117 HZ PHE 25 HZ PHE 25 -10.705 -0.547 -17.856 118 H GLU 26 H GLU 26 -5.476 -3.644 -18.471 119 HA GLU 26 HA GLU 26 -4.098 -5.808 -17.025 120 HB2 GLU 26 2HB GLU 26 -2.173 -4.175 -16.919 121 HB3 GLU 26 3HB GLU 26 -2.557 -4.793 -18.519 122 HG2 GLU 26 2HG GLU 26 -3.758 -2.734 -19.033 123 HG3 GLU 26 3HG GLU 26 -3.382 -2.112 -17.427 124 H LEU 27 H LEU 27 -3.612 -5.556 -14.852 125 HA LEU 27 HA LEU 27 -4.375 -3.134 -13.462 126 HB2 LEU 27 2HB LEU 27 -6.273 -5.119 -13.760 127 HB3 LEU 27 3HB LEU 27 -5.599 -5.430 -12.162 128 HG LEU 27 HG LEU 27 -6.048 -2.846 -11.850 129 HD11 LEU 27 1HD1 LEU 27 -7.055 -3.181 -14.391 130 HD12 LEU 27 2HD1 LEU 27 -7.407 -1.841 -13.300 131 HD13 LEU 27 3HD1 LEU 27 -8.493 -3.228 -13.371 132 HD21 LEU 27 1HD2 LEU 27 -8.256 -4.899 -11.753 133 HD22 LEU 27 2HD2 LEU 27 -8.168 -3.402 -10.824 134 HD23 LEU 27 3HD2 LEU 27 -7.004 -4.695 -10.528 135 H SER 28 H SER 28 -3.943 -3.351 -11.070 136 HA SER 28 HA SER 28 -1.814 -5.308 -10.531 137 HB2 SER 28 2HB SER 28 -0.721 -3.195 -11.059 138 HB3 SER 28 3HB SER 28 -1.735 -2.349 -9.891 139 HG SER 28 HG SER 28 0.448 -2.992 -9.183 140 H VAL 29 H VAL 29 -1.972 -6.318 -8.625 141 HA VAL 29 HA VAL 29 -3.504 -5.110 -6.453 142 HB VAL 29 HB VAL 29 -4.099 -7.923 -7.366 143 HG11 VAL 29 1HG1 VAL 29 -4.527 -7.640 -5.040 144 HG12 VAL 29 2HG1 VAL 29 -5.336 -6.096 -5.315 145 HG13 VAL 29 3HG1 VAL 29 -6.083 -7.595 -5.868 146 HG21 VAL 29 1HG2 VAL 29 -6.205 -7.080 -8.246 147 HG22 VAL 29 2HG2 VAL 29 -5.740 -5.432 -7.824 148 HG23 VAL 29 3HG2 VAL 29 -4.843 -6.311 -9.062 149 H ASP 30 H ASP 30 -3.066 -6.002 -4.394 150 HA ASP 30 HA ASP 30 -0.429 -7.197 -4.212 151 HB2 ASP 30 2HB ASP 30 -2.321 -6.209 -2.067 152 HB3 ASP 30 3HB ASP 30 -0.684 -6.791 -1.776 153 H SER 31 H SER 31 0.051 -9.196 -3.409 154 HA SER 31 HA SER 31 -2.090 -11.137 -3.445 155 HB2 SER 31 2HB SER 31 -0.109 -11.853 -4.532 156 HB3 SER 31 3HB SER 31 0.908 -11.348 -3.182 157 HG SER 31 HG SER 31 0.679 -13.299 -2.466 158 H ASN 32 H ASN 32 -3.046 -12.054 -1.736 159 HA ASN 32 HA ASN 32 -1.872 -12.486 0.773 160 HB2 ASN 32 2HB ASN 32 -3.028 -10.822 2.143 161 HB3 ASN 32 3HB ASN 32 -1.984 -10.033 0.966 162 HD21 ASN 32 1HD2 ASN 32 -3.074 -9.384 -1.088 163 HD22 ASN 32 2HD2 ASN 32 -4.669 -8.732 -0.964 164 H HIS 33 H HIS 33 -4.909 -11.731 -0.887 165 HA HIS 33 HA HIS 33 -6.334 -13.662 0.776 166 HB2 HIS 33 2HB HIS 33 -7.072 -11.331 -0.820 167 HB3 HIS 33 3HB HIS 33 -8.136 -12.707 -1.098 168 HD1 HIS 33 HD1 HIS 33 -7.777 -9.882 1.044 169 HD2 HIS 33 HD2 HIS 33 -9.092 -13.791 1.552 170 HE1 HIS 33 HE1 HIS 33 -9.142 -9.863 3.156 171 H THR 34 H THR 34 -8.014 -15.010 -0.513 172 HA THR 34 HA THR 34 -6.527 -16.737 -2.242 173 HB THR 34 HB THR 34 -9.143 -17.556 -2.492 174 HG1 THR 34 HG1 THR 34 -8.863 -16.710 0.200 175 HG21 THR 34 1HG2 THR 34 -7.331 -19.030 -1.929 176 HG22 THR 34 2HG2 THR 34 -8.562 -19.168 -0.673 177 HG23 THR 34 3HG2 THR 34 -7.100 -18.229 -0.376 178 H LEU 35 H LEU 35 -7.807 -17.577 -4.279 179 HA LEU 35 HA LEU 35 -7.620 -15.668 -6.265 180 HB2 LEU 35 2HB LEU 35 -7.872 -18.280 -6.331 181 HB3 LEU 35 3HB LEU 35 -9.576 -17.898 -6.565 182 HG LEU 35 HG LEU 35 -9.006 -16.627 -8.585 183 HD11 LEU 35 1HD1 LEU 35 -6.623 -17.104 -9.470 184 HD12 LEU 35 2HD1 LEU 35 -6.224 -17.369 -7.773 185 HD13 LEU 35 3HD1 LEU 35 -6.860 -15.809 -8.296 186 HD21 LEU 35 1HD2 LEU 35 -7.996 -18.695 -9.843 187 HD22 LEU 35 2HD2 LEU 35 -9.625 -18.758 -9.169 188 HD23 LEU 35 3HD2 LEU 35 -8.282 -19.505 -8.302 189 H ARG 36 H ARG 36 -10.290 -16.397 -4.157 190 HA ARG 36 HA ARG 36 -12.439 -15.344 -5.534 191 HB2 ARG 36 2HB ARG 36 -13.301 -14.712 -3.209 192 HB3 ARG 36 3HB ARG 36 -12.912 -16.404 -3.490 193 HG2 ARG 36 2HG ARG 36 -10.882 -16.226 -2.272 194 HG3 ARG 36 3HG ARG 36 -11.012 -14.468 -2.195 195 HD2 ARG 36 2HD ARG 36 -11.703 -15.176 -0.082 196 HD3 ARG 36 3HD ARG 36 -13.211 -14.879 -0.946 197 HE ARG 36 HE ARG 36 -12.408 -17.587 -1.207 198 HH11 ARG 36 1HH1 ARG 36 -13.825 -15.331 1.034 199 HH12 ARG 36 2HH1 ARG 36 -14.700 -16.546 1.906 200 HH21 ARG 36 1HH2 ARG 36 -13.555 -19.196 -0.067 201 HH22 ARG 36 2HH2 ARG 36 -14.545 -18.744 1.279 202 H ASP 37 H ASP 37 -9.943 -13.661 -3.697 203 HA ASP 37 HA ASP 37 -11.136 -11.089 -3.851 204 HB2 ASP 37 2HB ASP 37 -9.513 -11.418 -2.149 205 HB3 ASP 37 3HB ASP 37 -8.321 -12.019 -3.298 206 H VAL 38 H VAL 38 -8.598 -12.692 -5.749 207 HA VAL 38 HA VAL 38 -7.973 -10.587 -7.461 208 HB VAL 38 HB VAL 38 -7.998 -13.522 -8.178 209 HG11 VAL 38 1HG1 VAL 38 -5.934 -12.561 -9.534 210 HG12 VAL 38 2HG1 VAL 38 -7.573 -12.531 -10.189 211 HG13 VAL 38 3HG1 VAL 38 -6.888 -11.080 -9.454 212 HG21 VAL 38 1HG2 VAL 38 -6.098 -11.855 -6.589 213 HG22 VAL 38 2HG2 VAL 38 -6.665 -13.499 -6.296 214 HG23 VAL 38 3HG2 VAL 38 -5.482 -13.187 -7.566 215 H LEU 39 H LEU 39 -10.455 -13.101 -7.778 216 HA LEU 39 HA LEU 39 -11.374 -12.237 -10.325 217 HB2 LEU 39 2HB LEU 39 -11.711 -14.510 -9.358 218 HB3 LEU 39 3HB LEU 39 -12.881 -13.810 -8.242 219 HG LEU 39 HG LEU 39 -14.052 -13.022 -10.456 220 HD11 LEU 39 1HD1 LEU 39 -11.911 -14.329 -11.566 221 HD12 LEU 39 2HD1 LEU 39 -13.423 -13.945 -12.387 222 HD13 LEU 39 3HD1 LEU 39 -13.195 -15.534 -11.657 223 HD21 LEU 39 1HD2 LEU 39 -15.241 -14.413 -9.013 224 HD22 LEU 39 2HD2 LEU 39 -14.095 -15.741 -9.193 225 HD23 LEU 39 3HD2 LEU 39 -15.182 -15.328 -10.519 226 H ARG 40 H ARG 40 -12.274 -11.486 -7.010 227 HA ARG 40 HA ARG 40 -14.693 -10.194 -7.428 228 HB2 ARG 40 2HB ARG 40 -12.690 -10.313 -5.332 229 HB3 ARG 40 3HB ARG 40 -13.416 -8.714 -5.436 230 HG2 ARG 40 2HG ARG 40 -15.599 -9.596 -5.088 231 HG3 ARG 40 3HG ARG 40 -15.015 -11.253 -5.250 232 HD2 ARG 40 2HD ARG 40 -13.960 -11.216 -3.181 233 HD3 ARG 40 3HD ARG 40 -13.903 -9.455 -3.133 234 HE ARG 40 HE ARG 40 -16.571 -10.511 -3.097 235 HH11 ARG 40 1HH1 ARG 40 -13.801 -9.691 -1.156 236 HH12 ARG 40 2HH1 ARG 40 -14.720 -9.473 0.297 237 HH21 ARG 40 1HH2 ARG 40 -17.792 -10.226 -1.192 238 HH22 ARG 40 2HH2 ARG 40 -16.990 -9.779 0.275 239 H GLN 41 H GLN 41 -11.402 -8.873 -7.571 240 HA GLN 41 HA GLN 41 -12.289 -6.235 -8.245 241 HB2 GLN 41 2HB GLN 41 -9.940 -7.299 -7.299 242 HB3 GLN 41 3HB GLN 41 -9.533 -6.927 -8.968 243 HG2 GLN 41 2HG GLN 41 -9.594 -4.708 -8.632 244 HG3 GLN 41 3HG GLN 41 -10.958 -4.806 -7.520 245 HE21 GLN 41 1HE2 GLN 41 -7.809 -6.398 -7.376 246 HE22 GLN 41 2HE2 GLN 41 -7.322 -5.694 -5.875 247 H PHE 42 H PHE 42 -10.924 -8.962 -10.046 248 HA PHE 42 HA PHE 42 -10.653 -7.747 -12.532 249 HB2 PHE 42 2HB PHE 42 -9.701 -9.896 -12.266 250 HB3 PHE 42 3HB PHE 42 -11.227 -10.595 -11.735 251 HD1 PHE 42 HD1 PHE 42 -12.485 -11.797 -13.241 252 HD2 PHE 42 HD2 PHE 42 -9.701 -8.925 -14.696 253 HE1 PHE 42 HE1 PHE 42 -12.962 -12.508 -15.547 254 HE2 PHE 42 HE2 PHE 42 -10.174 -9.631 -17.005 255 HZ PHE 42 HZ PHE 42 -11.807 -11.424 -17.433 256 H LYS 43 H LYS 43 -13.437 -9.526 -11.216 257 HA LYS 43 HA LYS 43 -15.090 -9.048 -13.488 258 HB2 LYS 43 2HB LYS 43 -16.821 -10.105 -12.269 259 HB3 LYS 43 3HB LYS 43 -15.339 -10.925 -11.795 260 HG2 LYS 43 2HG LYS 43 -16.199 -10.639 -9.734 261 HG3 LYS 43 3HG LYS 43 -15.427 -9.059 -9.881 262 HD2 LYS 43 2HD LYS 43 -17.430 -7.972 -10.274 263 HD3 LYS 43 3HD LYS 43 -18.229 -9.436 -10.852 264 HE2 LYS 43 2HE LYS 43 -18.969 -9.927 -8.810 265 HE3 LYS 43 3HE LYS 43 -17.362 -9.729 -8.113 266 HZ1 LYS 43 1HZ LYS 43 -18.020 -7.835 -7.210 267 HZ2 LYS 43 2HZ LYS 43 -19.568 -8.037 -7.860 268 HZ3 LYS 43 3HZ LYS 43 -18.388 -7.195 -8.732 269 H ARG 44 H ARG 44 -14.454 -7.345 -10.511 270 HA ARG 44 HA ARG 44 -16.716 -5.651 -10.527 271 HB2 ARG 44 2HB ARG 44 -14.111 -5.742 -9.134 272 HB3 ARG 44 3HB ARG 44 -14.849 -4.151 -9.260 273 HG2 ARG 44 2HG ARG 44 -16.754 -4.823 -8.056 274 HG3 ARG 44 3HG ARG 44 -16.347 -6.533 -8.217 275 HD2 ARG 44 2HD ARG 44 -15.038 -6.487 -6.411 276 HD3 ARG 44 3HD ARG 44 -14.227 -5.015 -6.945 277 HE ARG 44 HE ARG 44 -16.708 -4.227 -6.041 278 HH11 ARG 44 1HH1 ARG 44 -13.920 -5.840 -4.719 279 HH12 ARG 44 2HH1 ARG 44 -14.178 -5.248 -3.111 280 HH21 ARG 44 1HH2 ARG 44 -17.058 -3.441 -3.928 281 HH22 ARG 44 2HH2 ARG 44 -15.963 -3.884 -2.662 282 H GLU 45 H GLU 45 -13.748 -5.634 -12.304 283 HA GLU 45 HA GLU 45 -14.252 -2.906 -13.258 284 HB2 GLU 45 2HB GLU 45 -11.831 -4.697 -13.464 285 HB3 GLU 45 3HB GLU 45 -11.966 -3.159 -14.305 286 HG2 GLU 45 2HG GLU 45 -12.420 -3.211 -11.370 287 HG3 GLU 45 3HG GLU 45 -10.771 -3.355 -11.974 288 H VAL 46 H VAL 46 -13.515 -6.159 -14.497 289 HA VAL 46 HA VAL 46 -13.820 -5.631 -17.212 290 HB VAL 46 HB VAL 46 -13.088 -7.815 -15.915 291 HG11 VAL 46 1HG1 VAL 46 -14.680 -9.489 -15.695 292 HG12 VAL 46 2HG1 VAL 46 -15.550 -8.053 -15.153 293 HG13 VAL 46 3HG1 VAL 46 -15.819 -8.688 -16.777 294 HG21 VAL 46 1HG2 VAL 46 -13.504 -9.101 -18.038 295 HG22 VAL 46 2HG2 VAL 46 -14.400 -7.700 -18.624 296 HG23 VAL 46 3HG2 VAL 46 -12.685 -7.553 -18.243 297 H ALA 47 H ALA 47 -16.192 -5.899 -14.722 298 HA ALA 47 HA ALA 47 -18.439 -6.594 -16.281 299 HB1 ALA 47 1HB ALA 47 -19.736 -5.544 -14.394 300 HB2 ALA 47 2HB ALA 47 -18.606 -6.816 -13.927 301 HB3 ALA 47 3HB ALA 47 -18.184 -5.123 -13.668 302 H ALA 48 H ALA 48 -16.582 -3.758 -16.176 303 HA ALA 48 HA ALA 48 -18.535 -1.794 -16.695 304 HB1 ALA 48 1HB ALA 48 -16.374 -1.088 -16.007 305 HB2 ALA 48 2HB ALA 48 -15.601 -1.918 -17.359 306 HB3 ALA 48 3HB ALA 48 -16.607 -0.499 -17.653 307 H LEU 49 H LEU 49 -16.743 -3.976 -18.804 308 HA LEU 49 HA LEU 49 -18.301 -2.965 -21.090 309 HB2 LEU 49 2HB LEU 49 -16.442 -4.254 -22.384 310 HB3 LEU 49 3HB LEU 49 -16.135 -2.638 -21.752 311 HG LEU 49 HG LEU 49 -15.394 -4.890 -19.987 312 HD11 LEU 49 1HD1 LEU 49 -14.758 -5.493 -22.419 313 HD12 LEU 49 2HD1 LEU 49 -13.530 -5.605 -21.159 314 HD13 LEU 49 3HD1 LEU 49 -13.553 -4.217 -22.247 315 HD21 LEU 49 1HD2 LEU 49 -13.279 -3.165 -20.235 316 HD22 LEU 49 2HD2 LEU 49 -14.549 -3.062 -19.015 317 HD23 LEU 49 3HD2 LEU 49 -14.668 -2.109 -20.495 318 H ASP 50 H ASP 50 -17.559 -5.699 -19.126 319 HA ASP 50 HA ASP 50 -18.923 -7.520 -20.973 320 HB2 ASP 50 2HB ASP 50 -16.692 -7.855 -19.345 321 HB3 ASP 50 3HB ASP 50 -17.973 -8.714 -18.496 322 HA PRO 51 HA PRO 51 -22.505 -6.675 -18.357 323 HB2 PRO 51 2HB PRO 51 -24.292 -7.770 -20.083 324 HB3 PRO 51 3HB PRO 51 -23.647 -6.136 -20.276 325 HG2 PRO 51 2HG PRO 51 -22.822 -8.671 -21.637 326 HG3 PRO 51 3HG PRO 51 -23.048 -7.054 -22.327 327 HD2 PRO 51 2HD PRO 51 -20.605 -8.049 -21.719 328 HD3 PRO 51 3HD PRO 51 -20.987 -6.319 -21.604 329 H ILE 52 H ILE 52 -21.462 -9.688 -19.813 330 HA ILE 52 HA ILE 52 -23.261 -11.410 -18.477 331 HB ILE 52 HB ILE 52 -21.498 -13.175 -18.936 332 HG12 ILE 52 2HG1 ILE 52 -20.169 -11.024 -20.573 333 HG13 ILE 52 3HG1 ILE 52 -19.641 -11.394 -18.935 334 HG21 ILE 52 1HG2 ILE 52 -21.953 -13.216 -21.311 335 HG22 ILE 52 2HG2 ILE 52 -23.388 -12.684 -20.438 336 HG23 ILE 52 3HG2 ILE 52 -22.385 -11.507 -21.285 337 HD11 ILE 52 1HD1 ILE 52 -19.680 -13.864 -20.056 338 HD12 ILE 52 2HD1 ILE 52 -19.217 -12.856 -21.428 339 HD13 ILE 52 3HD1 ILE 52 -18.261 -12.824 -19.946 340 H ASN 53 H ASN 53 -23.009 -12.667 -16.628 341 HA ASN 53 HA ASN 53 -21.534 -11.438 -14.510 342 HB2 ASN 53 2HB ASN 53 -23.589 -13.488 -14.782 343 HB3 ASN 53 3HB ASN 53 -22.387 -13.908 -13.564 344 HD21 ASN 53 1HD2 ASN 53 -24.208 -13.694 -12.099 345 HD22 ASN 53 2HD2 ASN 53 -24.619 -12.130 -11.494 346 H LEU 54 H LEU 54 -20.063 -12.658 -13.075 347 HA LEU 54 HA LEU 54 -17.882 -13.713 -14.531 348 HB2 LEU 54 2HB LEU 54 -16.997 -14.284 -12.240 349 HB3 LEU 54 3HB LEU 54 -17.383 -12.589 -12.529 350 HG LEU 54 HG LEU 54 -19.612 -14.024 -11.348 351 HD11 LEU 54 1HD1 LEU 54 -17.855 -15.376 -10.340 352 HD12 LEU 54 2HD1 LEU 54 -18.616 -14.332 -9.139 353 HD13 LEU 54 3HD1 LEU 54 -17.032 -13.915 -9.792 354 HD21 LEU 54 1HD2 LEU 54 -19.654 -12.128 -9.893 355 HD22 LEU 54 2HD2 LEU 54 -19.294 -11.554 -11.522 356 HD23 LEU 54 3HD2 LEU 54 -18.002 -11.690 -10.329 357 H GLU 55 H GLU 55 -20.536 -15.186 -12.779 358 HA GLU 55 HA GLU 55 -19.441 -17.834 -12.835 359 HB2 GLU 55 2HB GLU 55 -21.379 -16.679 -11.358 360 HB3 GLU 55 3HB GLU 55 -22.370 -17.475 -12.572 361 HG2 GLU 55 2HG GLU 55 -20.889 -19.548 -11.995 362 HG3 GLU 55 3HG GLU 55 -20.590 -18.661 -10.501 363 H GLU 56 H GLU 56 -20.827 -15.861 -15.163 364 HA GLU 56 HA GLU 56 -22.123 -17.963 -16.672 365 HB2 GLU 56 2HB GLU 56 -21.511 -15.112 -17.468 366 HB3 GLU 56 3HB GLU 56 -22.570 -16.221 -18.326 367 HG2 GLU 56 2HG GLU 56 -23.035 -15.297 -15.503 368 HG3 GLU 56 3HG GLU 56 -23.746 -14.538 -16.926 369 H TYR 57 H TYR 57 -18.995 -17.231 -16.132 370 HA TYR 57 HA TYR 57 -18.102 -18.683 -18.447 371 HB2 TYR 57 2HB TYR 57 -16.601 -16.968 -19.311 372 HB3 TYR 57 3HB TYR 57 -18.264 -16.395 -19.358 373 HD1 TYR 57 HD1 TYR 57 -18.914 -14.442 -18.194 374 HD2 TYR 57 HD2 TYR 57 -15.073 -16.135 -17.497 375 HE1 TYR 57 HE1 TYR 57 -18.263 -12.432 -16.934 376 HE2 TYR 57 HE2 TYR 57 -14.412 -14.131 -16.234 377 HH TYR 57 HH TYR 57 -16.669 -11.426 -15.767 378 H VAL 58 H VAL 58 -15.644 -18.882 -18.413 379 HA VAL 58 HA VAL 58 -14.675 -18.858 -15.629 380 HB VAL 58 HB VAL 58 -15.247 -21.152 -16.427 381 HG11 VAL 58 1HG1 VAL 58 -12.858 -21.380 -18.094 382 HG12 VAL 58 2HG1 VAL 58 -14.483 -22.023 -18.343 383 HG13 VAL 58 3HG1 VAL 58 -14.116 -20.356 -18.788 384 HG21 VAL 58 1HG2 VAL 58 -13.339 -20.474 -14.789 385 HG22 VAL 58 2HG2 VAL 58 -13.444 -22.136 -15.369 386 HG23 VAL 58 3HG2 VAL 58 -12.281 -21.023 -16.088 387 H VAL 59 H VAL 59 -12.419 -18.584 -15.331 388 HA VAL 59 HA VAL 59 -11.056 -17.371 -17.648 389 HB VAL 59 HB VAL 59 -9.747 -16.058 -15.951 390 HG11 VAL 59 1HG1 VAL 59 -12.523 -15.702 -16.754 391 HG12 VAL 59 2HG1 VAL 59 -12.108 -14.806 -15.291 392 HG13 VAL 59 3HG1 VAL 59 -11.183 -14.556 -16.772 393 HG21 VAL 59 1HG2 VAL 59 -10.947 -17.777 -14.145 394 HG22 VAL 59 2HG2 VAL 59 -10.033 -16.320 -13.754 395 HG23 VAL 59 3HG2 VAL 59 -11.789 -16.247 -13.899 396 H ASN 60 H ASN 60 -9.067 -18.083 -18.181 397 HA ASN 60 HA ASN 60 -7.891 -20.175 -16.475 398 HB2 ASN 60 2HB ASN 60 -6.896 -21.113 -18.491 399 HB3 ASN 60 3HB ASN 60 -8.637 -20.953 -18.702 400 HD21 ASN 60 1HD2 ASN 60 -5.540 -19.462 -19.443 401 HD22 ASN 60 2HD2 ASN 60 -6.057 -18.677 -20.892 402 H HIS 61 H HIS 61 -5.699 -20.147 -16.031 403 HA HIS 61 HA HIS 61 -4.337 -17.609 -16.642 404 HB2 HIS 61 2HB HIS 61 -4.652 -17.802 -14.283 405 HB3 HIS 61 3HB HIS 61 -4.096 -19.474 -14.280 406 HD1 HIS 61 HD1 HIS 61 -2.229 -16.730 -16.048 407 HD2 HIS 61 HD2 HIS 61 -1.945 -19.025 -12.597 408 HE1 HIS 61 HE1 HIS 61 0.062 -16.268 -15.121 409 H GLU 62 H GLU 62 -2.870 -17.812 -18.194 410 HA GLU 62 HA GLU 62 -1.260 -18.671 -19.556 411 HB2 GLU 62 2HB GLU 62 -0.201 -18.589 -17.143 412 HB3 GLU 62 3HB GLU 62 -0.236 -20.339 -17.297 413 HG2 GLU 62 2HG GLU 62 1.172 -20.279 -19.213 414 HG3 GLU 62 3HG GLU 62 1.047 -18.524 -19.319 415 H GLY 63 H GLY 63 -3.764 -20.116 -19.418 416 HA2 GLY 63 2HA GLY 63 -4.461 -21.966 -20.677 417 HA3 GLY 63 3HA GLY 63 -2.831 -22.616 -20.584 418 H LYS 64 H LYS 64 -4.018 -21.561 -17.591 419 HA LYS 64 HA LYS 64 -4.535 -24.350 -16.812 420 HB2 LYS 64 2HB LYS 64 -2.704 -22.742 -15.740 421 HB3 LYS 64 3HB LYS 64 -4.081 -22.219 -14.779 422 HG2 LYS 64 2HG LYS 64 -4.451 -24.528 -14.057 423 HG3 LYS 64 3HG LYS 64 -3.058 -25.043 -15.011 424 HD2 LYS 64 2HD LYS 64 -2.312 -22.853 -13.318 425 HD3 LYS 64 3HD LYS 64 -3.091 -24.110 -12.353 426 HE2 LYS 64 2HE LYS 64 -1.107 -25.018 -14.345 427 HE3 LYS 64 3HE LYS 64 -0.476 -24.116 -12.968 428 HZ1 LYS 64 1HZ LYS 64 -2.347 -26.028 -12.076 429 HZ2 LYS 64 2HZ LYS 64 -0.702 -25.901 -11.702 430 HZ3 LYS 64 3HZ LYS 64 -1.197 -26.794 -13.051 431 H LEU 65 H LEU 65 -6.530 -24.928 -16.262 432 HA LEU 65 HA LEU 65 -8.520 -22.817 -15.811 433 HB2 LEU 65 2HB LEU 65 -8.600 -25.539 -16.974 434 HB3 LEU 65 3HB LEU 65 -10.024 -25.008 -16.083 435 HG LEU 65 HG LEU 65 -9.232 -22.963 -17.929 436 HD11 LEU 65 1HD1 LEU 65 -9.062 -25.730 -18.913 437 HD12 LEU 65 2HD1 LEU 65 -8.355 -24.247 -19.554 438 HD13 LEU 65 3HD1 LEU 65 -10.043 -24.633 -19.886 439 HD21 LEU 65 1HD2 LEU 65 -11.631 -24.728 -17.534 440 HD22 LEU 65 2HD2 LEU 65 -11.551 -23.525 -18.822 441 HD23 LEU 65 3HD2 LEU 65 -11.441 -23.021 -17.135 442 H LEU 66 H LEU 66 -9.026 -22.419 -13.769 443 HA LEU 66 HA LEU 66 -8.576 -24.453 -11.731 444 HB2 LEU 66 2HB LEU 66 -8.884 -21.515 -11.777 445 HB3 LEU 66 3HB LEU 66 -9.487 -22.343 -10.342 446 HG LEU 66 HG LEU 66 -7.217 -21.513 -10.012 447 HD11 LEU 66 1HD1 LEU 66 -7.243 -24.519 -10.212 448 HD12 LEU 66 2HD1 LEU 66 -7.987 -23.596 -8.907 449 HD13 LEU 66 3HD1 LEU 66 -6.241 -23.529 -9.151 450 HD21 LEU 66 1HD2 LEU 66 -6.598 -21.733 -12.455 451 HD22 LEU 66 2HD2 LEU 66 -6.324 -23.446 -12.138 452 HD23 LEU 66 3HD2 LEU 66 -5.366 -22.228 -11.294 453 H LEU 67 H LEU 67 -10.197 -24.961 -10.142 454 HA LEU 67 HA LEU 67 -12.912 -24.855 -11.265 455 HB2 LEU 67 2HB LEU 67 -11.514 -27.039 -10.594 456 HB3 LEU 67 3HB LEU 67 -12.275 -26.700 -9.041 457 HG LEU 67 HG LEU 67 -14.489 -26.732 -10.252 458 HD11 LEU 67 1HD1 LEU 67 -14.262 -28.227 -12.389 459 HD12 LEU 67 2HD1 LEU 67 -12.657 -27.501 -12.472 460 HD13 LEU 67 3HD1 LEU 67 -14.091 -26.475 -12.495 461 HD21 LEU 67 1HD2 LEU 67 -13.622 -29.426 -10.734 462 HD22 LEU 67 2HD2 LEU 67 -14.647 -28.794 -9.445 463 HD23 LEU 67 3HD2 LEU 67 -12.893 -28.808 -9.252 464 H ASP 68 H ASP 68 -11.106 -24.587 -8.223 465 HA ASP 68 HA ASP 68 -13.375 -23.067 -7.113 466 HB2 ASP 68 2HB ASP 68 -11.710 -25.211 -5.970 467 HB3 ASP 68 3HB ASP 68 -11.955 -23.827 -4.908 468 H ASP 69 H ASP 69 -12.718 -21.465 -5.423 469 HA ASP 69 HA ASP 69 -10.251 -20.106 -6.275 470 HB2 ASP 69 2HB ASP 69 -12.784 -19.005 -5.044 471 HB3 ASP 69 3HB ASP 69 -11.332 -18.050 -5.332 472 H SER 70 H SER 70 -10.185 -22.231 -4.386 473 HA SER 70 HA SER 70 -9.884 -20.962 -1.781 474 HB2 SER 70 2HB SER 70 -10.038 -23.757 -2.780 475 HB3 SER 70 3HB SER 70 -9.082 -23.485 -1.323 476 HG SER 70 HG SER 70 -11.790 -23.430 -1.670 477 H VAL 71 H VAL 71 -7.975 -21.913 -4.473 478 HA VAL 71 HA VAL 71 -5.487 -22.046 -3.004 479 HB VAL 71 HB VAL 71 -4.431 -22.286 -5.220 480 HG11 VAL 71 1HG1 VAL 71 -5.091 -24.477 -5.542 481 HG12 VAL 71 2HG1 VAL 71 -5.627 -24.172 -3.889 482 HG13 VAL 71 3HG1 VAL 71 -6.788 -24.124 -5.216 483 HG21 VAL 71 1HG2 VAL 71 -5.468 -21.318 -6.943 484 HG22 VAL 71 2HG2 VAL 71 -6.521 -22.733 -6.964 485 HG23 VAL 71 3HG2 VAL 71 -7.015 -21.280 -6.095 486 H THR 72 H THR 72 -4.030 -20.457 -2.740 487 HA THR 72 HA THR 72 -4.795 -17.760 -3.292 488 HB THR 72 HB THR 72 -2.913 -17.084 -2.073 489 HG1 THR 72 HG1 THR 72 -1.066 -18.362 -1.849 490 HG21 THR 72 1HG2 THR 72 -3.095 -19.741 -0.770 491 HG22 THR 72 2HG2 THR 72 -4.598 -18.838 -0.960 492 HG23 THR 72 3HG2 THR 72 -3.246 -18.127 -0.077 493 H LEU 73 H LEU 73 -2.601 -16.399 -4.021 494 HA LEU 73 HA LEU 73 -2.508 -16.787 -6.828 495 HB2 LEU 73 2HB LEU 73 -1.207 -14.947 -4.885 496 HB3 LEU 73 3HB LEU 73 -0.530 -15.068 -6.507 497 HG LEU 73 HG LEU 73 -3.297 -14.690 -6.838 498 HD11 LEU 73 1HD1 LEU 73 -3.805 -13.790 -4.803 499 HD12 LEU 73 2HD1 LEU 73 -3.262 -12.340 -5.646 500 HD13 LEU 73 3HD1 LEU 73 -2.172 -13.176 -4.540 501 HD21 LEU 73 1HD2 LEU 73 -1.653 -13.895 -8.383 502 HD22 LEU 73 2HD2 LEU 73 -0.922 -12.861 -7.155 503 HD23 LEU 73 3HD2 LEU 73 -2.539 -12.502 -7.762 504 H GLN 74 H GLN 74 -0.040 -17.170 -4.290 505 HA GLN 74 HA GLN 74 1.898 -18.254 -6.088 506 HB2 GLN 74 2HB GLN 74 1.837 -17.359 -3.389 507 HB3 GLN 74 3HB GLN 74 2.463 -19.002 -3.392 508 HG2 GLN 74 2HG GLN 74 4.082 -18.272 -5.166 509 HG3 GLN 74 3HG GLN 74 3.547 -16.619 -4.866 510 HE21 GLN 74 1HE2 GLN 74 4.858 -15.541 -3.598 511 HE22 GLN 74 2HE2 GLN 74 5.784 -16.188 -2.291 512 H THR 75 H THR 75 -0.618 -19.565 -4.075 513 HA THR 75 HA THR 75 0.231 -22.210 -3.831 514 HB THR 75 HB THR 75 -2.592 -21.159 -4.095 515 HG1 THR 75 HG1 THR 75 -1.124 -20.487 -2.276 516 HG21 THR 75 1HG2 THR 75 -2.914 -23.412 -4.444 517 HG22 THR 75 2HG2 THR 75 -2.963 -23.345 -2.682 518 HG23 THR 75 3HG2 THR 75 -1.494 -23.870 -3.505 519 H VAL 76 H VAL 76 -1.574 -20.623 -6.432 520 HA VAL 76 HA VAL 76 -1.833 -23.047 -7.963 521 HB VAL 76 HB VAL 76 -3.559 -21.374 -8.185 522 HG11 VAL 76 1HG1 VAL 76 -3.040 -19.199 -9.312 523 HG12 VAL 76 2HG1 VAL 76 -2.374 -19.364 -7.686 524 HG13 VAL 76 3HG1 VAL 76 -1.329 -19.564 -9.093 525 HG21 VAL 76 1HG2 VAL 76 -2.920 -22.782 -10.152 526 HG22 VAL 76 2HG2 VAL 76 -3.725 -21.269 -10.566 527 HG23 VAL 76 3HG2 VAL 76 -1.978 -21.416 -10.750 528 H GLY 77 H GLY 77 0.444 -20.443 -7.718 529 HA2 GLY 77 2HA GLY 77 2.688 -20.729 -8.508 530 HA3 GLY 77 3HA GLY 77 2.063 -21.736 -9.806 531 H VAL 78 H VAL 78 0.789 -18.602 -8.816 532 HA VAL 78 HA VAL 78 0.758 -17.624 -11.476 533 HB VAL 78 HB VAL 78 0.434 -16.159 -8.855 534 HG11 VAL 78 1HG1 VAL 78 -0.840 -14.601 -10.624 535 HG12 VAL 78 2HG1 VAL 78 0.848 -14.361 -10.167 536 HG13 VAL 78 3HG1 VAL 78 0.450 -15.219 -11.656 537 HG21 VAL 78 1HG2 VAL 78 -1.629 -16.978 -8.824 538 HG22 VAL 78 2HG2 VAL 78 -1.937 -16.322 -10.432 539 HG23 VAL 78 3HG2 VAL 78 -1.256 -17.940 -10.255 540 H LYS 79 H LYS 79 2.355 -16.781 -12.627 541 HA LYS 79 HA LYS 79 4.939 -16.321 -11.511 542 HB2 LYS 79 2HB LYS 79 3.942 -16.815 -14.043 543 HB3 LYS 79 3HB LYS 79 4.475 -15.142 -14.144 544 HG2 LYS 79 2HG LYS 79 6.681 -15.678 -13.810 545 HG3 LYS 79 3HG LYS 79 6.300 -17.175 -12.956 546 HD2 LYS 79 2HD LYS 79 5.411 -17.058 -15.761 547 HD3 LYS 79 3HD LYS 79 7.160 -17.060 -15.521 548 HE2 LYS 79 2HE LYS 79 5.519 -19.019 -13.997 549 HE3 LYS 79 3HE LYS 79 5.777 -19.306 -15.717 550 HZ1 LYS 79 1HZ LYS 79 8.088 -19.409 -15.412 551 HZ2 LYS 79 2HZ LYS 79 7.440 -20.330 -14.150 552 HZ3 LYS 79 3HZ LYS 79 8.009 -18.766 -13.849 553 H LYS 80 H LYS 80 6.094 -14.181 -12.256 554 HA LYS 80 HA LYS 80 5.077 -12.099 -10.685 555 HB2 LYS 80 2HB LYS 80 7.488 -12.533 -11.527 556 HB3 LYS 80 3HB LYS 80 6.994 -11.631 -12.953 557 HG2 LYS 80 2HG LYS 80 6.654 -9.660 -11.720 558 HG3 LYS 80 3HG LYS 80 6.695 -10.522 -10.180 559 HD2 LYS 80 2HD LYS 80 9.132 -11.039 -11.547 560 HD3 LYS 80 3HD LYS 80 8.840 -9.298 -11.587 561 HE2 LYS 80 2HE LYS 80 8.422 -10.740 -9.020 562 HE3 LYS 80 3HE LYS 80 10.077 -10.462 -9.558 563 HZ1 LYS 80 1HZ LYS 80 9.061 -8.047 -9.920 564 HZ2 LYS 80 2HZ LYS 80 9.761 -8.534 -8.460 565 HZ3 LYS 80 3HZ LYS 80 8.079 -8.557 -8.639 566 H ASP 81 H ASP 81 4.938 -12.650 -14.175 567 HA ASP 81 HA ASP 81 3.610 -10.168 -14.721 568 HB2 ASP 81 2HB ASP 81 4.606 -12.455 -16.260 569 HB3 ASP 81 3HB ASP 81 3.114 -11.772 -16.901 570 H SER 82 H SER 82 2.600 -13.566 -14.530 571 HA SER 82 HA SER 82 0.563 -14.540 -14.248 572 HB2 SER 82 2HB SER 82 -0.666 -12.007 -13.269 573 HB3 SER 82 3HB SER 82 -0.787 -13.641 -12.618 574 HG SER 82 HG SER 82 0.478 -12.359 -11.258 575 H VAL 83 H VAL 83 0.156 -14.797 -16.457 576 HA VAL 83 HA VAL 83 -1.627 -12.786 -17.664 577 HB VAL 83 HB VAL 83 0.371 -13.061 -18.982 578 HG11 VAL 83 1HG1 VAL 83 0.173 -15.767 -18.161 579 HG12 VAL 83 2HG1 VAL 83 0.140 -15.733 -19.925 580 HG13 VAL 83 3HG1 VAL 83 1.477 -14.983 -19.052 581 HG21 VAL 83 1HG2 VAL 83 -1.717 -12.752 -20.201 582 HG22 VAL 83 2HG2 VAL 83 -0.601 -13.765 -21.118 583 HG23 VAL 83 3HG2 VAL 83 -1.955 -14.499 -20.259 584 H PHE 84 H PHE 84 -3.694 -13.329 -17.777 585 HA PHE 84 HA PHE 84 -4.393 -16.174 -18.080 586 HB2 PHE 84 2HB PHE 84 -6.508 -14.745 -16.772 587 HB3 PHE 84 3HB PHE 84 -5.594 -16.135 -16.195 588 HD1 PHE 84 HD1 PHE 84 -5.571 -12.437 -16.375 589 HD2 PHE 84 HD2 PHE 84 -4.041 -15.917 -14.460 590 HE1 PHE 84 HE1 PHE 84 -4.523 -11.025 -14.654 591 HE2 PHE 84 HE2 PHE 84 -2.992 -14.511 -12.736 592 HZ PHE 84 HZ PHE 84 -3.233 -12.062 -12.830 593 H VAL 85 H VAL 85 -5.865 -16.655 -19.614 594 HA VAL 85 HA VAL 85 -6.958 -14.405 -21.161 595 HB VAL 85 HB VAL 85 -6.720 -17.275 -22.062 596 HG11 VAL 85 1HG1 VAL 85 -7.142 -14.712 -23.597 597 HG12 VAL 85 2HG1 VAL 85 -7.002 -16.327 -24.294 598 HG13 VAL 85 3HG1 VAL 85 -8.372 -15.928 -23.258 599 HG21 VAL 85 1HG2 VAL 85 -4.783 -16.308 -23.439 600 HG22 VAL 85 2HG2 VAL 85 -4.780 -14.994 -22.264 601 HG23 VAL 85 3HG2 VAL 85 -4.490 -16.651 -21.734 602 H LEU 86 H LEU 86 -9.122 -14.339 -21.738 603 HA LEU 86 HA LEU 86 -10.903 -15.774 -19.957 604 HB2 LEU 86 2HB LEU 86 -11.328 -13.446 -20.215 605 HB3 LEU 86 3HB LEU 86 -11.327 -13.581 -21.973 606 HG LEU 86 HG LEU 86 -13.374 -15.250 -20.794 607 HD11 LEU 86 1HD1 LEU 86 -14.659 -12.902 -20.358 608 HD12 LEU 86 2HD1 LEU 86 -13.053 -12.536 -19.730 609 HD13 LEU 86 3HD1 LEU 86 -13.956 -13.910 -19.093 610 HD21 LEU 86 1HD2 LEU 86 -14.686 -13.479 -22.294 611 HD22 LEU 86 2HD2 LEU 86 -13.780 -14.825 -22.985 612 HD23 LEU 86 3HD2 LEU 86 -13.059 -13.216 -22.922 613 H VAL 87 H VAL 87 -12.268 -17.380 -20.504 614 HA VAL 87 HA VAL 87 -12.692 -18.006 -23.330 615 HB VAL 87 HB VAL 87 -11.725 -20.039 -21.314 616 HG11 VAL 87 1HG1 VAL 87 -12.925 -20.271 -24.024 617 HG12 VAL 87 2HG1 VAL 87 -11.625 -21.381 -23.588 618 HG13 VAL 87 3HG1 VAL 87 -13.097 -21.320 -22.617 619 HG21 VAL 87 1HG2 VAL 87 -9.730 -20.193 -22.631 620 HG22 VAL 87 2HG2 VAL 87 -10.381 -19.084 -23.838 621 HG23 VAL 87 3HG2 VAL 87 -9.987 -18.497 -22.223 622 H ARG 88 H ARG 88 -14.673 -18.841 -23.779 623 HA ARG 88 HA ARG 88 -16.530 -19.060 -21.519 624 HB2 ARG 88 2HB ARG 88 -16.759 -17.643 -23.837 625 HB3 ARG 88 3HB ARG 88 -17.616 -19.120 -24.257 626 HG2 ARG 88 2HG ARG 88 -18.953 -18.803 -22.141 627 HG3 ARG 88 3HG ARG 88 -18.227 -17.198 -22.032 628 HD2 ARG 88 2HD ARG 88 -19.887 -18.258 -24.316 629 HD3 ARG 88 3HD ARG 88 -20.407 -17.087 -23.105 630 HE ARG 88 HE ARG 88 -18.092 -16.143 -24.402 631 HH11 ARG 88 1HH1 ARG 88 -21.482 -16.694 -24.973 632 HH12 ARG 88 2HH1 ARG 88 -21.619 -15.441 -26.162 633 HH21 ARG 88 1HH2 ARG 88 -18.259 -14.491 -25.966 634 HH22 ARG 88 2HH2 ARG 88 -19.785 -14.189 -26.726 635 H LYS 89 H LYS 89 -17.849 -20.839 -21.227 636 HA LYS 89 HA LYS 89 -16.833 -23.318 -22.314 637 HB2 LYS 89 2HB LYS 89 -17.521 -22.959 -19.895 638 HB3 LYS 89 3HB LYS 89 -19.187 -22.967 -20.459 639 HG2 LYS 89 2HG LYS 89 -18.322 -25.253 -21.569 640 HG3 LYS 89 3HG LYS 89 -17.280 -25.189 -20.145 641 HD2 LYS 89 2HD LYS 89 -19.675 -24.546 -19.053 642 HD3 LYS 89 3HD LYS 89 -20.184 -25.626 -20.354 643 HE2 LYS 89 2HE LYS 89 -18.033 -26.309 -18.358 644 HE3 LYS 89 3HE LYS 89 -19.730 -26.740 -18.149 645 HZ1 LYS 89 1HZ LYS 89 -18.972 -27.553 -20.701 646 HZ2 LYS 89 2HZ LYS 89 -19.362 -28.528 -19.375 647 HZ3 LYS 89 3HZ LYS 89 -17.756 -28.070 -19.645 648 H ALA 90 H ALA 90 -19.730 -21.345 -22.574 649 HA ALA 90 HA ALA 90 -20.551 -22.966 -24.877 650 HB1 ALA 90 1HB ALA 90 -22.943 -22.146 -23.697 651 HB2 ALA 90 2HB ALA 90 -22.297 -23.785 -23.774 652 HB3 ALA 90 3HB ALA 90 -21.960 -22.769 -22.372 Start of MODEL 12 1 H1 MET 10 H MET 10 -0.213 0.622 -1.506 2 HA MET 10 HA MET 10 1.350 0.023 -3.046 3 HB2 MET 10 2HB MET 10 2.890 2.173 -1.588 4 HB3 MET 10 3HB MET 10 3.452 1.411 -3.070 5 HG2 MET 10 2HG MET 10 2.321 2.911 -4.227 6 HG3 MET 10 3HG MET 10 0.825 2.247 -3.573 7 HE1 MET 10 1HE MET 10 2.869 5.971 -3.283 8 HE2 MET 10 2HE MET 10 2.279 4.919 -4.570 9 HE3 MET 10 3HE MET 10 1.207 6.124 -3.854 10 H SER 11 H SER 11 1.211 -1.498 -0.604 11 HA SER 11 HA SER 11 3.998 -2.264 -0.128 12 HB2 SER 11 2HB SER 11 3.016 -3.659 1.720 13 HB3 SER 11 3HB SER 11 2.732 -1.927 1.893 14 HG SER 11 HG SER 11 0.939 -3.877 1.800 15 H GLU 12 H GLU 12 4.792 -3.768 -1.432 16 HA GLU 12 HA GLU 12 5.002 -5.640 -2.708 17 HB2 GLU 12 2HB GLU 12 4.075 -6.537 -0.413 18 HB3 GLU 12 3HB GLU 12 2.636 -6.879 -1.364 19 HG2 GLU 12 2HG GLU 12 4.821 -7.845 -2.844 20 HG3 GLU 12 3HG GLU 12 5.071 -8.356 -1.176 21 H THR 13 H THR 13 4.395 -4.684 -4.654 22 HA THR 13 HA THR 13 1.581 -4.895 -5.443 23 HB THR 13 HB THR 13 3.172 -3.754 -7.519 24 HG1 THR 13 HG1 THR 13 3.769 -1.850 -6.080 25 HG21 THR 13 1HG2 THR 13 1.476 -2.268 -7.561 26 HG22 THR 13 2HG2 THR 13 1.575 -1.956 -5.828 27 HG23 THR 13 3HG2 THR 13 0.713 -3.375 -6.421 28 H ILE 14 H ILE 14 0.926 -6.004 -7.287 29 HA ILE 14 HA ILE 14 2.928 -7.646 -8.660 30 HB ILE 14 HB ILE 14 0.344 -8.792 -7.602 31 HG12 ILE 14 2HG1 ILE 14 1.978 -8.264 -5.797 32 HG13 ILE 14 3HG1 ILE 14 1.669 -9.988 -5.968 33 HG21 ILE 14 1HG2 ILE 14 1.572 -10.952 -8.209 34 HG22 ILE 14 2HG2 ILE 14 0.921 -9.982 -9.530 35 HG23 ILE 14 3HG2 ILE 14 2.644 -9.923 -9.159 36 HD11 ILE 14 1HD1 ILE 14 3.796 -10.427 -6.459 37 HD12 ILE 14 2HD1 ILE 14 3.927 -9.048 -7.552 38 HD13 ILE 14 3HD1 ILE 14 4.127 -8.819 -5.815 39 HA PRO 15 HA PRO 15 0.338 -5.798 -11.876 40 HB2 PRO 15 2HB PRO 15 2.154 -6.188 -13.856 41 HB3 PRO 15 3HB PRO 15 2.245 -4.836 -12.721 42 HG2 PRO 15 2HG PRO 15 3.728 -7.436 -12.692 43 HG3 PRO 15 3HG PRO 15 4.332 -5.799 -12.371 44 HD2 PRO 15 2HD PRO 15 3.735 -7.546 -10.390 45 HD3 PRO 15 3HD PRO 15 3.531 -5.791 -10.210 46 H VAL 16 H VAL 16 -1.220 -6.906 -12.864 47 HA VAL 16 HA VAL 16 -0.603 -9.599 -13.895 48 HB VAL 16 HB VAL 16 -3.008 -10.159 -13.464 49 HG11 VAL 16 1HG1 VAL 16 -2.549 -10.959 -11.372 50 HG12 VAL 16 2HG1 VAL 16 -0.918 -10.530 -11.893 51 HG13 VAL 16 3HG1 VAL 16 -1.820 -9.447 -10.832 52 HG21 VAL 16 1HG2 VAL 16 -3.771 -7.792 -13.316 53 HG22 VAL 16 2HG2 VAL 16 -4.316 -8.804 -11.977 54 HG23 VAL 16 3HG2 VAL 16 -2.975 -7.681 -11.746 55 H SER 17 H SER 17 -1.709 -10.260 -15.789 56 HA SER 17 HA SER 17 -2.941 -8.070 -17.325 57 HB2 SER 17 2HB SER 17 -1.190 -10.191 -18.568 58 HB3 SER 17 3HB SER 17 -1.757 -8.686 -19.292 59 HG SER 17 HG SER 17 -0.482 -7.621 -17.605 60 H VAL 18 H VAL 18 -4.776 -8.550 -18.399 61 HA VAL 18 HA VAL 18 -5.611 -11.375 -18.491 62 HB VAL 18 HB VAL 18 -7.507 -9.073 -18.047 63 HG11 VAL 18 1HG1 VAL 18 -9.134 -10.583 -18.208 64 HG12 VAL 18 2HG1 VAL 18 -7.923 -11.710 -18.822 65 HG13 VAL 18 3HG1 VAL 18 -8.313 -11.683 -17.102 66 HG21 VAL 18 1HG2 VAL 18 -5.721 -10.356 -16.170 67 HG22 VAL 18 2HG2 VAL 18 -6.767 -8.954 -15.949 68 HG23 VAL 18 3HG2 VAL 18 -7.409 -10.579 -15.712 69 H GLN 19 H GLN 19 -6.557 -12.079 -20.345 70 HA GLN 19 HA GLN 19 -6.707 -10.137 -22.549 71 HB2 GLN 19 2HB GLN 19 -5.544 -12.754 -22.336 72 HB3 GLN 19 3HB GLN 19 -6.796 -12.769 -23.570 73 HG2 GLN 19 2HG GLN 19 -4.761 -10.590 -23.554 74 HG3 GLN 19 3HG GLN 19 -4.347 -12.179 -24.196 75 HE21 GLN 19 1HE2 GLN 19 -4.096 -11.361 -26.275 76 HE22 GLN 19 2HE2 GLN 19 -5.446 -10.904 -27.251 77 H CYS 20 H CYS 20 -8.550 -9.892 -23.703 78 HA CYS 20 HA CYS 20 -10.788 -11.712 -23.155 79 HB2 CYS 20 2HB CYS 20 -10.730 -9.371 -21.889 80 HB3 CYS 20 3HB CYS 20 -11.383 -8.803 -23.420 81 HG CYS 20 HG CYS 20 -13.623 -9.096 -21.967 82 H CYS 21 H CYS 21 -12.332 -11.881 -24.813 83 HA CYS 21 HA CYS 21 -11.336 -11.749 -27.423 84 HB2 CYS 21 2HB CYS 21 -13.759 -12.608 -26.127 85 HB3 CYS 21 3HB CYS 21 -14.151 -11.731 -27.600 86 HG CYS 21 HG CYS 21 -13.592 -13.625 -29.242 87 H GLU 22 H GLU 22 -12.895 -9.370 -25.479 88 HA GLU 22 HA GLU 22 -13.555 -7.689 -27.766 89 HB2 GLU 22 2HB GLU 22 -14.549 -7.959 -25.122 90 HB3 GLU 22 3HB GLU 22 -13.891 -6.335 -25.267 91 HG2 GLU 22 2HG GLU 22 -15.380 -6.835 -27.608 92 HG3 GLU 22 3HG GLU 22 -16.358 -7.367 -26.241 93 H GLY 23 H GLY 23 -11.067 -8.100 -25.416 94 HA2 GLY 23 2HA GLY 23 -9.164 -6.556 -26.633 95 HA3 GLY 23 3HA GLY 23 -10.011 -5.436 -25.577 96 H ARG 24 H ARG 24 -7.617 -5.444 -24.834 97 HA ARG 24 HA ARG 24 -7.223 -7.555 -22.823 98 HB2 ARG 24 2HB ARG 24 -4.833 -6.686 -22.809 99 HB3 ARG 24 3HB ARG 24 -5.353 -7.522 -24.266 100 HG2 ARG 24 2HG ARG 24 -5.461 -5.553 -25.505 101 HG3 ARG 24 3HG ARG 24 -5.497 -4.539 -24.062 102 HD2 ARG 24 2HD ARG 24 -3.159 -5.431 -23.580 103 HD3 ARG 24 3HD ARG 24 -3.174 -6.044 -25.233 104 HE ARG 24 HE ARG 24 -3.865 -3.303 -25.197 105 HH11 ARG 24 1HH1 ARG 24 -1.145 -5.443 -24.818 106 HH12 ARG 24 2HH1 ARG 24 0.016 -4.274 -25.354 107 HH21 ARG 24 1HH2 ARG 24 -2.346 -1.755 -25.904 108 HH22 ARG 24 2HH2 ARG 24 -0.668 -2.176 -25.970 109 H PHE 25 H PHE 25 -6.720 -7.018 -20.698 110 HA PHE 25 HA PHE 25 -6.832 -4.192 -19.946 111 HB2 PHE 25 2HB PHE 25 -9.135 -5.350 -19.814 112 HB3 PHE 25 3HB PHE 25 -8.467 -6.216 -18.435 113 HD1 PHE 25 HD1 PHE 25 -8.770 -5.324 -16.342 114 HD2 PHE 25 HD2 PHE 25 -8.812 -2.731 -19.717 115 HE1 PHE 25 HE1 PHE 25 -9.341 -3.432 -14.876 116 HE2 PHE 25 HE2 PHE 25 -9.383 -0.835 -18.257 117 HZ PHE 25 HZ PHE 25 -9.647 -1.184 -15.833 118 H GLU 26 H GLU 26 -5.438 -3.674 -18.368 119 HA GLU 26 HA GLU 26 -4.085 -5.889 -16.976 120 HB2 GLU 26 2HB GLU 26 -2.180 -4.286 -16.718 121 HB3 GLU 26 3HB GLU 26 -2.530 -4.733 -18.381 122 HG2 GLU 26 2HG GLU 26 -3.654 -2.637 -18.757 123 HG3 GLU 26 3HG GLU 26 -3.459 -2.193 -17.062 124 H LEU 27 H LEU 27 -3.530 -5.624 -14.772 125 HA LEU 27 HA LEU 27 -4.505 -3.336 -13.309 126 HB2 LEU 27 2HB LEU 27 -6.342 -5.264 -13.743 127 HB3 LEU 27 3HB LEU 27 -5.605 -5.861 -12.258 128 HG LEU 27 HG LEU 27 -6.061 -3.434 -11.399 129 HD11 LEU 27 1HD1 LEU 27 -7.062 -3.173 -13.956 130 HD12 LEU 27 2HD1 LEU 27 -7.382 -2.099 -12.595 131 HD13 LEU 27 3HD1 LEU 27 -8.504 -3.407 -12.967 132 HD21 LEU 27 1HD2 LEU 27 -8.372 -5.330 -11.770 133 HD22 LEU 27 2HD2 LEU 27 -8.124 -4.173 -10.461 134 HD23 LEU 27 3HD2 LEU 27 -7.072 -5.582 -10.605 135 H SER 28 H SER 28 -4.152 -3.678 -10.892 136 HA SER 28 HA SER 28 -1.874 -5.475 -10.409 137 HB2 SER 28 2HB SER 28 -2.014 -2.524 -10.086 138 HB3 SER 28 3HB SER 28 -1.184 -3.425 -8.817 139 HG SER 28 HG SER 28 0.390 -3.863 -10.156 140 H VAL 29 H VAL 29 -1.831 -6.471 -8.450 141 HA VAL 29 HA VAL 29 -3.653 -5.609 -6.345 142 HB VAL 29 HB VAL 29 -4.721 -7.747 -6.083 143 HG11 VAL 29 1HG1 VAL 29 -5.731 -6.150 -7.660 144 HG12 VAL 29 2HG1 VAL 29 -4.854 -6.923 -8.982 145 HG13 VAL 29 3HG1 VAL 29 -6.080 -7.824 -8.089 146 HG21 VAL 29 1HG2 VAL 29 -4.301 -9.396 -8.107 147 HG22 VAL 29 2HG2 VAL 29 -2.727 -8.601 -8.116 148 HG23 VAL 29 3HG2 VAL 29 -3.288 -9.429 -6.664 149 H ASP 30 H ASP 30 -3.155 -6.460 -4.286 150 HA ASP 30 HA ASP 30 -0.384 -7.351 -4.055 151 HB2 ASP 30 2HB ASP 30 -2.339 -6.364 -1.968 152 HB3 ASP 30 3HB ASP 30 -0.668 -6.817 -1.643 153 H SER 31 H SER 31 0.245 -9.251 -3.123 154 HA SER 31 HA SER 31 -1.743 -11.346 -3.030 155 HB2 SER 31 2HB SER 31 0.695 -11.473 -3.960 156 HB3 SER 31 3HB SER 31 1.136 -11.741 -2.274 157 HG SER 31 HG SER 31 0.768 -13.727 -3.208 158 H ASN 32 H ASN 32 -2.629 -12.228 -1.266 159 HA ASN 32 HA ASN 32 -1.478 -12.491 1.248 160 HB2 ASN 32 2HB ASN 32 -3.147 -10.688 2.316 161 HB3 ASN 32 3HB ASN 32 -1.492 -10.291 1.864 162 HD21 ASN 32 1HD2 ASN 32 -4.703 -10.497 0.365 163 HD22 ASN 32 2HD2 ASN 32 -4.561 -9.030 -0.537 164 H HIS 33 H HIS 33 -4.384 -12.047 -0.646 165 HA HIS 33 HA HIS 33 -5.866 -13.794 1.195 166 HB2 HIS 33 2HB HIS 33 -6.594 -11.464 -0.301 167 HB3 HIS 33 3HB HIS 33 -7.565 -12.823 -0.861 168 HD1 HIS 33 HD1 HIS 33 -9.011 -14.055 1.012 169 HD2 HIS 33 HD2 HIS 33 -7.347 -10.411 2.114 170 HE1 HIS 33 HE1 HIS 33 -10.255 -13.346 3.080 171 H THR 34 H THR 34 -7.539 -15.203 -0.027 172 HA THR 34 HA THR 34 -6.052 -16.989 -1.694 173 HB THR 34 HB THR 34 -8.047 -18.372 -1.728 174 HG1 THR 34 HG1 THR 34 -9.371 -16.242 -0.374 175 HG21 THR 34 1HG2 THR 34 -6.590 -18.165 0.363 176 HG22 THR 34 2HG2 THR 34 -8.192 -18.874 0.568 177 HG23 THR 34 3HG2 THR 34 -7.901 -17.199 1.038 178 H LEU 35 H LEU 35 -7.118 -17.874 -3.739 179 HA LEU 35 HA LEU 35 -7.090 -15.965 -5.735 180 HB2 LEU 35 2HB LEU 35 -7.134 -18.643 -5.707 181 HB3 LEU 35 3HB LEU 35 -8.802 -18.336 -6.187 182 HG LEU 35 HG LEU 35 -6.881 -16.802 -7.750 183 HD11 LEU 35 1HD1 LEU 35 -5.349 -18.529 -7.649 184 HD12 LEU 35 2HD1 LEU 35 -6.300 -18.956 -9.071 185 HD13 LEU 35 3HD1 LEU 35 -6.596 -19.770 -7.535 186 HD21 LEU 35 1HD2 LEU 35 -8.205 -18.067 -9.570 187 HD22 LEU 35 2HD2 LEU 35 -9.049 -16.879 -8.576 188 HD23 LEU 35 3HD2 LEU 35 -9.226 -18.600 -8.234 189 H ARG 36 H ARG 36 -9.722 -16.994 -3.706 190 HA ARG 36 HA ARG 36 -11.934 -16.201 -5.157 191 HB2 ARG 36 2HB ARG 36 -11.317 -16.730 -2.380 192 HB3 ARG 36 3HB ARG 36 -12.468 -15.409 -2.525 193 HG2 ARG 36 2HG ARG 36 -13.076 -17.704 -4.228 194 HG3 ARG 36 3HG ARG 36 -13.102 -18.055 -2.499 195 HD2 ARG 36 2HD ARG 36 -15.291 -17.386 -3.010 196 HD3 ARG 36 3HD ARG 36 -14.547 -15.971 -2.266 197 HE ARG 36 HE ARG 36 -14.368 -16.014 -5.138 198 HH11 ARG 36 1HH1 ARG 36 -16.307 -15.104 -2.393 199 HH12 ARG 36 2HH1 ARG 36 -17.180 -13.878 -3.252 200 HH21 ARG 36 1HH2 ARG 36 -15.511 -14.403 -6.279 201 HH22 ARG 36 2HH2 ARG 36 -16.728 -13.481 -5.462 202 H ASP 37 H ASP 37 -9.749 -14.235 -3.196 203 HA ASP 37 HA ASP 37 -11.224 -11.822 -3.445 204 HB2 ASP 37 2HB ASP 37 -9.686 -11.952 -1.642 205 HB3 ASP 37 3HB ASP 37 -8.362 -12.416 -2.707 206 H VAL 38 H VAL 38 -8.396 -13.111 -5.166 207 HA VAL 38 HA VAL 38 -7.949 -10.938 -6.861 208 HB VAL 38 HB VAL 38 -7.504 -13.832 -7.590 209 HG11 VAL 38 1HG1 VAL 38 -7.145 -11.575 -9.096 210 HG12 VAL 38 2HG1 VAL 38 -5.545 -11.819 -8.392 211 HG13 VAL 38 3HG1 VAL 38 -6.302 -13.105 -9.332 212 HG21 VAL 38 1HG2 VAL 38 -6.433 -13.695 -5.538 213 HG22 VAL 38 2HG2 VAL 38 -5.148 -13.266 -6.667 214 HG23 VAL 38 3HG2 VAL 38 -5.989 -12.004 -5.767 215 H LEU 39 H LEU 39 -9.898 -13.865 -7.405 216 HA LEU 39 HA LEU 39 -10.759 -13.230 -9.994 217 HB2 LEU 39 2HB LEU 39 -10.989 -15.399 -8.525 218 HB3 LEU 39 3HB LEU 39 -12.553 -14.695 -8.120 219 HG LEU 39 HG LEU 39 -11.655 -15.259 -10.941 220 HD11 LEU 39 1HD1 LEU 39 -13.680 -17.031 -10.268 221 HD12 LEU 39 2HD1 LEU 39 -12.586 -17.066 -8.886 222 HD13 LEU 39 3HD1 LEU 39 -11.974 -17.414 -10.503 223 HD21 LEU 39 1HD2 LEU 39 -14.184 -14.312 -9.659 224 HD22 LEU 39 2HD2 LEU 39 -14.243 -15.225 -11.167 225 HD23 LEU 39 3HD2 LEU 39 -13.355 -13.702 -11.092 226 H ARG 40 H ARG 40 -12.023 -12.340 -6.835 227 HA ARG 40 HA ARG 40 -14.495 -11.301 -7.625 228 HB2 ARG 40 2HB ARG 40 -13.189 -11.581 -5.246 229 HB3 ARG 40 3HB ARG 40 -13.125 -9.838 -5.468 230 HG2 ARG 40 2HG ARG 40 -15.510 -9.701 -5.601 231 HG3 ARG 40 3HG ARG 40 -15.655 -11.459 -5.610 232 HD2 ARG 40 2HD ARG 40 -14.427 -11.341 -3.343 233 HD3 ARG 40 3HD ARG 40 -14.881 -9.638 -3.360 234 HE ARG 40 HE ARG 40 -16.579 -11.850 -2.797 235 HH11 ARG 40 1HH1 ARG 40 -16.520 -8.682 -4.238 236 HH12 ARG 40 2HH1 ARG 40 -18.200 -8.375 -3.946 237 HH21 ARG 40 1HH2 ARG 40 -18.792 -11.458 -2.407 238 HH22 ARG 40 2HH2 ARG 40 -19.491 -9.954 -2.903 239 H GLN 41 H GLN 41 -11.331 -9.715 -7.338 240 HA GLN 41 HA GLN 41 -12.207 -7.136 -8.060 241 HB2 GLN 41 2HB GLN 41 -9.902 -8.084 -7.085 242 HB3 GLN 41 3HB GLN 41 -9.449 -7.978 -8.781 243 HG2 GLN 41 2HG GLN 41 -9.365 -5.742 -8.752 244 HG3 GLN 41 3HG GLN 41 -10.790 -5.598 -7.725 245 HE21 GLN 41 1HE2 GLN 41 -7.750 -7.306 -7.158 246 HE22 GLN 41 2HE2 GLN 41 -7.306 -6.413 -5.748 247 H PHE 42 H PHE 42 -10.669 -9.702 -9.988 248 HA PHE 42 HA PHE 42 -10.564 -8.406 -12.429 249 HB2 PHE 42 2HB PHE 42 -10.862 -11.294 -11.666 250 HB3 PHE 42 3HB PHE 42 -10.897 -10.819 -13.361 251 HD1 PHE 42 HD1 PHE 42 -8.905 -8.798 -13.628 252 HD2 PHE 42 HD2 PHE 42 -8.852 -12.287 -11.190 253 HE1 PHE 42 HE1 PHE 42 -6.445 -8.791 -13.677 254 HE2 PHE 42 HE2 PHE 42 -6.392 -12.285 -11.235 255 HZ PHE 42 HZ PHE 42 -5.185 -10.535 -12.478 256 H LYS 43 H LYS 43 -13.228 -10.299 -11.049 257 HA LYS 43 HA LYS 43 -14.959 -10.044 -13.269 258 HB2 LYS 43 2HB LYS 43 -15.387 -11.780 -11.686 259 HB3 LYS 43 3HB LYS 43 -15.468 -10.635 -10.354 260 HG2 LYS 43 2HG LYS 43 -17.407 -10.278 -12.562 261 HG3 LYS 43 3HG LYS 43 -17.633 -11.666 -11.496 262 HD2 LYS 43 2HD LYS 43 -17.040 -9.321 -9.947 263 HD3 LYS 43 3HD LYS 43 -18.393 -9.001 -11.035 264 HE2 LYS 43 2HE LYS 43 -19.771 -10.367 -9.910 265 HE3 LYS 43 3HE LYS 43 -18.529 -11.600 -9.698 266 HZ1 LYS 43 1HZ LYS 43 -17.910 -9.345 -8.122 267 HZ2 LYS 43 2HZ LYS 43 -18.224 -10.930 -7.625 268 HZ3 LYS 43 3HZ LYS 43 -19.497 -9.830 -7.795 269 H ARG 44 H ARG 44 -14.274 -7.997 -10.528 270 HA ARG 44 HA ARG 44 -16.562 -6.299 -10.902 271 HB2 ARG 44 2HB ARG 44 -15.097 -6.730 -8.757 272 HB3 ARG 44 3HB ARG 44 -14.124 -5.419 -9.411 273 HG2 ARG 44 2HG ARG 44 -15.686 -3.850 -8.961 274 HG3 ARG 44 3HG ARG 44 -17.034 -4.948 -9.264 275 HD2 ARG 44 2HD ARG 44 -16.930 -5.862 -7.127 276 HD3 ARG 44 3HD ARG 44 -15.272 -5.320 -6.873 277 HE ARG 44 HE ARG 44 -17.095 -3.142 -7.180 278 HH11 ARG 44 1HH1 ARG 44 -15.857 -5.483 -4.920 279 HH12 ARG 44 2HH1 ARG 44 -16.195 -4.510 -3.527 280 HH21 ARG 44 1HH2 ARG 44 -17.545 -1.852 -5.354 281 HH22 ARG 44 2HH2 ARG 44 -17.156 -2.445 -3.775 282 H GLU 45 H GLU 45 -13.340 -6.472 -12.146 283 HA GLU 45 HA GLU 45 -13.484 -3.755 -13.217 284 HB2 GLU 45 2HB GLU 45 -11.272 -5.801 -13.116 285 HB3 GLU 45 3HB GLU 45 -11.139 -4.307 -14.032 286 HG2 GLU 45 2HG GLU 45 -11.616 -4.500 -11.067 287 HG3 GLU 45 3HG GLU 45 -10.071 -4.150 -11.840 288 H VAL 46 H VAL 46 -14.197 -6.928 -14.115 289 HA VAL 46 HA VAL 46 -13.809 -6.434 -16.971 290 HB VAL 46 HB VAL 46 -13.254 -8.662 -15.748 291 HG11 VAL 46 1HG1 VAL 46 -15.725 -8.640 -14.869 292 HG12 VAL 46 2HG1 VAL 46 -16.061 -9.398 -16.427 293 HG13 VAL 46 3HG1 VAL 46 -14.936 -10.157 -15.300 294 HG21 VAL 46 1HG2 VAL 46 -12.885 -8.790 -17.992 295 HG22 VAL 46 2HG2 VAL 46 -14.263 -9.885 -17.879 296 HG23 VAL 46 3HG2 VAL 46 -14.502 -8.218 -18.404 297 H ALA 47 H ALA 47 -16.278 -6.501 -14.563 298 HA ALA 47 HA ALA 47 -18.501 -6.919 -16.296 299 HB1 ALA 47 1HB ALA 47 -19.868 -6.426 -14.435 300 HB2 ALA 47 2HB ALA 47 -18.456 -7.265 -13.791 301 HB3 ALA 47 3HB ALA 47 -18.585 -5.512 -13.640 302 H ALA 48 H ALA 48 -16.445 -4.276 -15.761 303 HA ALA 48 HA ALA 48 -18.226 -2.119 -16.135 304 HB1 ALA 48 1HB ALA 48 -15.267 -2.431 -16.515 305 HB2 ALA 48 2HB ALA 48 -16.096 -0.920 -16.894 306 HB3 ALA 48 3HB ALA 48 -16.136 -1.560 -15.251 307 H LEU 49 H LEU 49 -16.454 -4.170 -18.383 308 HA LEU 49 HA LEU 49 -17.762 -2.768 -20.619 309 HB2 LEU 49 2HB LEU 49 -15.921 -4.034 -21.949 310 HB3 LEU 49 3HB LEU 49 -15.528 -2.549 -21.086 311 HG LEU 49 HG LEU 49 -15.105 -5.083 -19.618 312 HD11 LEU 49 1HD1 LEU 49 -14.087 -4.772 -22.246 313 HD12 LEU 49 2HD1 LEU 49 -13.737 -6.040 -21.072 314 HD13 LEU 49 3HD1 LEU 49 -12.748 -4.581 -21.114 315 HD21 LEU 49 1HD2 LEU 49 -14.545 -2.494 -19.122 316 HD22 LEU 49 2HD2 LEU 49 -13.030 -3.004 -19.868 317 HD23 LEU 49 3HD2 LEU 49 -13.637 -3.843 -18.439 318 H ASP 50 H ASP 50 -17.375 -5.767 -18.965 319 HA ASP 50 HA ASP 50 -18.738 -7.235 -21.105 320 HB2 ASP 50 2HB ASP 50 -16.618 -8.072 -19.832 321 HB3 ASP 50 3HB ASP 50 -17.764 -8.497 -18.564 322 HA PRO 51 HA PRO 51 -22.421 -6.404 -18.628 323 HB2 PRO 51 2HB PRO 51 -24.161 -7.123 -20.585 324 HB3 PRO 51 3HB PRO 51 -23.378 -5.539 -20.530 325 HG2 PRO 51 2HG PRO 51 -22.658 -7.952 -22.148 326 HG3 PRO 51 3HG PRO 51 -22.707 -6.249 -22.640 327 HD2 PRO 51 2HD PRO 51 -20.398 -7.519 -22.014 328 HD3 PRO 51 3HD PRO 51 -20.651 -5.789 -21.704 329 H ILE 52 H ILE 52 -21.390 -9.295 -20.265 330 HA ILE 52 HA ILE 52 -23.441 -11.033 -19.392 331 HB ILE 52 HB ILE 52 -20.577 -11.742 -20.037 332 HG12 ILE 52 2HG1 ILE 52 -22.991 -11.714 -21.861 333 HG13 ILE 52 3HG1 ILE 52 -21.739 -10.476 -21.845 334 HG21 ILE 52 1HG2 ILE 52 -21.730 -13.524 -18.876 335 HG22 ILE 52 2HG2 ILE 52 -23.090 -13.407 -19.992 336 HG23 ILE 52 3HG2 ILE 52 -21.518 -13.956 -20.573 337 HD11 ILE 52 1HD1 ILE 52 -20.739 -11.678 -23.418 338 HD12 ILE 52 2HD1 ILE 52 -20.324 -12.820 -22.140 339 HD13 ILE 52 3HD1 ILE 52 -21.770 -13.077 -23.116 340 H ASN 53 H ASN 53 -23.526 -12.471 -17.669 341 HA ASN 53 HA ASN 53 -22.382 -11.556 -15.234 342 HB2 ASN 53 2HB ASN 53 -24.505 -13.221 -15.965 343 HB3 ASN 53 3HB ASN 53 -23.395 -14.271 -15.091 344 HD21 ASN 53 1HD2 ASN 53 -25.939 -13.607 -14.174 345 HD22 ASN 53 2HD2 ASN 53 -25.778 -12.666 -12.734 346 H LEU 54 H LEU 54 -20.933 -12.653 -13.839 347 HA LEU 54 HA LEU 54 -18.687 -13.780 -15.158 348 HB2 LEU 54 2HB LEU 54 -18.444 -12.453 -13.145 349 HB3 LEU 54 3HB LEU 54 -19.385 -13.629 -12.229 350 HG LEU 54 HG LEU 54 -17.458 -15.262 -12.959 351 HD11 LEU 54 1HD1 LEU 54 -15.363 -13.541 -12.663 352 HD12 LEU 54 2HD1 LEU 54 -16.452 -12.617 -13.697 353 HD13 LEU 54 3HD1 LEU 54 -15.912 -14.220 -14.196 354 HD21 LEU 54 1HD2 LEU 54 -18.102 -13.857 -10.666 355 HD22 LEU 54 2HD2 LEU 54 -16.383 -13.533 -10.892 356 HD23 LEU 54 3HD2 LEU 54 -16.962 -15.197 -10.788 357 H GLU 55 H GLU 55 -21.498 -15.121 -13.634 358 HA GLU 55 HA GLU 55 -20.423 -17.758 -13.295 359 HB2 GLU 55 2HB GLU 55 -22.620 -16.433 -12.314 360 HB3 GLU 55 3HB GLU 55 -23.340 -17.528 -13.486 361 HG2 GLU 55 2HG GLU 55 -22.393 -19.430 -12.390 362 HG3 GLU 55 3HG GLU 55 -21.457 -18.398 -11.309 363 H GLU 56 H GLU 56 -21.451 -15.999 -15.957 364 HA GLU 56 HA GLU 56 -22.525 -18.234 -17.451 365 HB2 GLU 56 2HB GLU 56 -21.792 -15.470 -18.429 366 HB3 GLU 56 3HB GLU 56 -22.777 -16.655 -19.276 367 HG2 GLU 56 2HG GLU 56 -23.571 -15.594 -16.591 368 HG3 GLU 56 3HG GLU 56 -23.961 -14.735 -18.080 369 H TYR 57 H TYR 57 -19.499 -16.534 -17.106 370 HA TYR 57 HA TYR 57 -18.290 -18.393 -19.046 371 HB2 TYR 57 2HB TYR 57 -16.675 -16.654 -19.637 372 HB3 TYR 57 3HB TYR 57 -18.318 -16.099 -19.934 373 HD1 TYR 57 HD1 TYR 57 -19.149 -14.155 -18.887 374 HD2 TYR 57 HD2 TYR 57 -15.477 -15.852 -17.566 375 HE1 TYR 57 HE1 TYR 57 -18.728 -12.159 -17.512 376 HE2 TYR 57 HE2 TYR 57 -15.047 -13.861 -16.187 377 HH TYR 57 HH TYR 57 -17.354 -11.643 -15.389 378 H VAL 58 H VAL 58 -15.858 -18.589 -18.674 379 HA VAL 58 HA VAL 58 -15.258 -18.574 -15.790 380 HB VAL 58 HB VAL 58 -15.813 -20.867 -16.583 381 HG11 VAL 58 1HG1 VAL 58 -14.566 -20.252 -18.863 382 HG12 VAL 58 2HG1 VAL 58 -13.239 -21.064 -18.030 383 HG13 VAL 58 3HG1 VAL 58 -14.762 -21.912 -18.300 384 HG21 VAL 58 1HG2 VAL 58 -12.902 -20.885 -15.951 385 HG22 VAL 58 2HG2 VAL 58 -14.022 -20.176 -14.788 386 HG23 VAL 58 3HG2 VAL 58 -14.208 -21.860 -15.277 387 H VAL 59 H VAL 59 -13.142 -18.145 -15.203 388 HA VAL 59 HA VAL 59 -11.474 -17.018 -17.342 389 HB VAL 59 HB VAL 59 -12.087 -15.489 -15.505 390 HG11 VAL 59 1HG1 VAL 59 -11.264 -15.803 -13.272 391 HG12 VAL 59 2HG1 VAL 59 -12.180 -17.237 -13.737 392 HG13 VAL 59 3HG1 VAL 59 -10.416 -17.276 -13.743 393 HG21 VAL 59 1HG2 VAL 59 -9.566 -15.915 -16.621 394 HG22 VAL 59 2HG2 VAL 59 -10.155 -14.440 -15.853 395 HG23 VAL 59 3HG2 VAL 59 -9.270 -15.635 -14.905 396 H ASN 60 H ASN 60 -9.521 -17.836 -17.816 397 HA ASN 60 HA ASN 60 -8.482 -19.982 -16.084 398 HB2 ASN 60 2HB ASN 60 -7.598 -21.076 -18.066 399 HB3 ASN 60 3HB ASN 60 -9.327 -20.804 -18.266 400 HD21 ASN 60 1HD2 ASN 60 -6.279 -20.389 -19.602 401 HD22 ASN 60 2HD2 ASN 60 -6.708 -19.319 -20.889 402 H HIS 61 H HIS 61 -6.277 -20.068 -15.701 403 HA HIS 61 HA HIS 61 -4.795 -17.633 -16.438 404 HB2 HIS 61 2HB HIS 61 -4.956 -17.652 -14.095 405 HB3 HIS 61 3HB HIS 61 -4.704 -19.392 -14.000 406 HD1 HIS 61 HD1 HIS 61 -2.608 -19.622 -12.690 407 HD2 HIS 61 HD2 HIS 61 -2.283 -16.735 -15.660 408 HE1 HIS 61 HE1 HIS 61 -0.202 -18.890 -12.656 409 H GLU 62 H GLU 62 -3.405 -17.974 -18.037 410 HA GLU 62 HA GLU 62 -1.896 -18.972 -19.422 411 HB2 GLU 62 2HB GLU 62 -0.840 -18.956 -16.917 412 HB3 GLU 62 3HB GLU 62 -0.756 -20.670 -17.297 413 HG2 GLU 62 2HG GLU 62 0.276 -19.745 -19.550 414 HG3 GLU 62 3HG GLU 62 0.683 -18.381 -18.510 415 H GLY 63 H GLY 63 -4.455 -20.294 -19.112 416 HA2 GLY 63 2HA GLY 63 -5.287 -22.166 -20.250 417 HA3 GLY 63 3HA GLY 63 -3.683 -22.881 -20.202 418 H LYS 64 H LYS 64 -4.689 -21.646 -17.210 419 HA LYS 64 HA LYS 64 -5.291 -24.373 -16.285 420 HB2 LYS 64 2HB LYS 64 -3.291 -23.194 -15.320 421 HB3 LYS 64 3HB LYS 64 -4.395 -22.018 -14.618 422 HG2 LYS 64 2HG LYS 64 -5.027 -23.402 -12.970 423 HG3 LYS 64 3HG LYS 64 -5.030 -24.821 -14.021 424 HD2 LYS 64 2HD LYS 64 -2.440 -23.556 -13.220 425 HD3 LYS 64 3HD LYS 64 -3.278 -24.635 -12.103 426 HE2 LYS 64 2HE LYS 64 -3.391 -26.166 -14.267 427 HE3 LYS 64 3HE LYS 64 -1.966 -25.223 -14.704 428 HZ1 LYS 64 1HZ LYS 64 -2.339 -27.075 -12.447 429 HZ2 LYS 64 2HZ LYS 64 -1.194 -25.836 -12.335 430 HZ3 LYS 64 3HZ LYS 64 -1.070 -26.993 -13.563 431 H LEU 65 H LEU 65 -7.109 -24.799 -15.098 432 HA LEU 65 HA LEU 65 -9.062 -22.602 -14.900 433 HB2 LEU 65 2HB LEU 65 -9.277 -25.427 -15.718 434 HB3 LEU 65 3HB LEU 65 -10.586 -24.819 -14.707 435 HG LEU 65 HG LEU 65 -9.991 -23.020 -16.905 436 HD11 LEU 65 1HD1 LEU 65 -11.230 -25.538 -17.861 437 HD12 LEU 65 2HD1 LEU 65 -9.473 -25.490 -17.721 438 HD13 LEU 65 3HD1 LEU 65 -10.308 -24.319 -18.741 439 HD21 LEU 65 1HD2 LEU 65 -12.190 -22.655 -16.741 440 HD22 LEU 65 2HD2 LEU 65 -12.114 -23.649 -15.286 441 HD23 LEU 65 3HD2 LEU 65 -12.574 -24.374 -16.828 442 H LEU 66 H LEU 66 -9.688 -22.009 -12.934 443 HA LEU 66 HA LEU 66 -8.824 -23.566 -10.637 444 HB2 LEU 66 2HB LEU 66 -9.829 -20.797 -11.077 445 HB3 LEU 66 3HB LEU 66 -9.976 -21.507 -9.470 446 HG LEU 66 HG LEU 66 -7.973 -20.070 -9.765 447 HD11 LEU 66 1HD1 LEU 66 -7.751 -21.540 -7.998 448 HD12 LEU 66 2HD1 LEU 66 -6.337 -21.921 -8.979 449 HD13 LEU 66 3HD1 LEU 66 -7.759 -22.962 -9.041 450 HD21 LEU 66 1HD2 LEU 66 -7.529 -20.639 -12.118 451 HD22 LEU 66 2HD2 LEU 66 -7.052 -22.263 -11.621 452 HD23 LEU 66 3HD2 LEU 66 -6.111 -20.866 -11.094 453 H LEU 67 H LEU 67 -10.263 -24.083 -8.881 454 HA LEU 67 HA LEU 67 -13.082 -24.351 -9.685 455 HB2 LEU 67 2HB LEU 67 -11.157 -26.417 -9.054 456 HB3 LEU 67 3HB LEU 67 -12.551 -26.483 -7.979 457 HG LEU 67 HG LEU 67 -12.921 -26.374 -10.950 458 HD11 LEU 67 1HD1 LEU 67 -12.618 -28.632 -11.234 459 HD12 LEU 67 2HD1 LEU 67 -12.823 -28.987 -9.519 460 HD13 LEU 67 3HD1 LEU 67 -11.324 -28.258 -10.094 461 HD21 LEU 67 1HD2 LEU 67 -14.549 -26.917 -8.556 462 HD22 LEU 67 2HD2 LEU 67 -14.845 -27.970 -9.940 463 HD23 LEU 67 3HD2 LEU 67 -15.007 -26.221 -10.110 464 H ASP 68 H ASP 68 -11.033 -24.938 -6.821 465 HA ASP 68 HA ASP 68 -13.116 -24.008 -5.059 466 HB2 ASP 68 2HB ASP 68 -10.449 -25.269 -4.757 467 HB3 ASP 68 3HB ASP 68 -10.985 -24.247 -3.427 468 H ASP 69 H ASP 69 -10.260 -22.704 -6.540 469 HA ASP 69 HA ASP 69 -9.252 -20.662 -6.457 470 HB2 ASP 69 2HB ASP 69 -11.837 -19.469 -5.517 471 HB3 ASP 69 3HB ASP 69 -10.675 -18.834 -6.679 472 H SER 70 H SER 70 -9.305 -22.275 -3.999 473 HA SER 70 HA SER 70 -9.406 -20.275 -1.879 474 HB2 SER 70 2HB SER 70 -8.843 -23.249 -1.763 475 HB3 SER 70 3HB SER 70 -8.998 -22.187 -0.363 476 HG SER 70 HG SER 70 -11.138 -21.866 -0.857 477 H VAL 71 H VAL 71 -7.119 -21.990 -3.835 478 HA VAL 71 HA VAL 71 -4.834 -21.665 -2.193 479 HB VAL 71 HB VAL 71 -3.550 -22.007 -4.330 480 HG11 VAL 71 1HG1 VAL 71 -4.041 -24.314 -4.456 481 HG12 VAL 71 2HG1 VAL 71 -4.403 -23.832 -2.797 482 HG13 VAL 71 3HG1 VAL 71 -5.713 -24.062 -3.956 483 HG21 VAL 71 1HG2 VAL 71 -5.280 -20.964 -5.792 484 HG22 VAL 71 2HG2 VAL 71 -4.717 -22.538 -6.354 485 HG23 VAL 71 3HG2 VAL 71 -6.279 -22.397 -5.548 486 H THR 72 H THR 72 -3.000 -20.260 -2.622 487 HA THR 72 HA THR 72 -3.857 -17.536 -3.046 488 HB THR 72 HB THR 72 -1.861 -16.855 -2.094 489 HG1 THR 72 HG1 THR 72 -0.014 -17.679 -2.714 490 HG21 THR 72 1HG2 THR 72 -1.664 -19.539 -0.858 491 HG22 THR 72 2HG2 THR 72 -3.231 -18.736 -0.764 492 HG23 THR 72 3HG2 THR 72 -1.797 -17.952 -0.104 493 H LEU 73 H LEU 73 -2.798 -16.059 -4.504 494 HA LEU 73 HA LEU 73 -2.727 -16.895 -7.143 495 HB2 LEU 73 2HB LEU 73 -1.431 -14.740 -7.528 496 HB3 LEU 73 3HB LEU 73 -3.021 -14.610 -6.779 497 HG LEU 73 HG LEU 73 -0.797 -14.782 -4.874 498 HD11 LEU 73 1HD1 LEU 73 -1.045 -12.116 -6.121 499 HD12 LEU 73 2HD1 LEU 73 -0.126 -13.326 -7.015 500 HD13 LEU 73 3HD1 LEU 73 0.347 -12.897 -5.372 501 HD21 LEU 73 1HD2 LEU 73 -3.440 -13.982 -4.880 502 HD22 LEU 73 2HD2 LEU 73 -2.545 -12.464 -4.796 503 HD23 LEU 73 3HD2 LEU 73 -2.271 -13.718 -3.585 504 H GLN 74 H GLN 74 -0.086 -16.585 -4.823 505 HA GLN 74 HA GLN 74 1.966 -17.191 -6.720 506 HB2 GLN 74 2HB GLN 74 2.143 -15.951 -4.441 507 HB3 GLN 74 3HB GLN 74 2.265 -17.567 -3.757 508 HG2 GLN 74 2HG GLN 74 4.165 -17.945 -5.408 509 HG3 GLN 74 3HG GLN 74 4.138 -16.199 -5.655 510 HE21 GLN 74 1HE2 GLN 74 6.300 -16.192 -4.846 511 HE22 GLN 74 2HE2 GLN 74 6.594 -16.239 -3.144 512 H THR 75 H THR 75 0.155 -19.036 -4.314 513 HA THR 75 HA THR 75 1.583 -21.429 -4.432 514 HB THR 75 HB THR 75 -1.371 -21.007 -3.943 515 HG1 THR 75 HG1 THR 75 -0.355 -20.078 -2.268 516 HG21 THR 75 1HG2 THR 75 0.366 -23.439 -3.774 517 HG22 THR 75 2HG2 THR 75 -1.272 -23.276 -4.408 518 HG23 THR 75 3HG2 THR 75 -0.993 -23.247 -2.667 519 H VAL 76 H VAL 76 -0.883 -20.127 -6.560 520 HA VAL 76 HA VAL 76 -1.348 -22.526 -8.019 521 HB VAL 76 HB VAL 76 -1.836 -19.647 -8.796 522 HG11 VAL 76 1HG1 VAL 76 -3.526 -20.828 -10.366 523 HG12 VAL 76 2HG1 VAL 76 -1.829 -20.739 -10.840 524 HG13 VAL 76 3HG1 VAL 76 -2.478 -22.232 -10.160 525 HG21 VAL 76 1HG2 VAL 76 -3.146 -21.382 -6.967 526 HG22 VAL 76 2HG2 VAL 76 -3.592 -19.743 -7.441 527 HG23 VAL 76 3HG2 VAL 76 -4.216 -21.123 -8.344 528 H GLY 77 H GLY 77 1.098 -20.088 -8.120 529 HA2 GLY 77 2HA GLY 77 3.189 -20.532 -9.203 530 HA3 GLY 77 3HA GLY 77 2.324 -21.482 -10.402 531 H VAL 78 H VAL 78 0.981 -18.447 -9.463 532 HA VAL 78 HA VAL 78 1.052 -17.441 -12.110 533 HB VAL 78 HB VAL 78 0.479 -15.978 -9.529 534 HG11 VAL 78 1HG1 VAL 78 0.435 -15.157 -12.372 535 HG12 VAL 78 2HG1 VAL 78 -0.909 -14.621 -11.362 536 HG13 VAL 78 3HG1 VAL 78 0.748 -14.206 -10.920 537 HG21 VAL 78 1HG2 VAL 78 -1.730 -16.632 -11.332 538 HG22 VAL 78 2HG2 VAL 78 -0.942 -18.039 -10.619 539 HG23 VAL 78 3HG2 VAL 78 -1.614 -16.784 -9.579 540 H LYS 79 H LYS 79 2.793 -16.704 -13.117 541 HA LYS 79 HA LYS 79 5.153 -15.879 -11.746 542 HB2 LYS 79 2HB LYS 79 4.522 -16.705 -14.330 543 HB3 LYS 79 3HB LYS 79 5.011 -15.026 -14.522 544 HG2 LYS 79 2HG LYS 79 7.101 -15.546 -13.298 545 HG3 LYS 79 3HG LYS 79 6.615 -17.243 -13.268 546 HD2 LYS 79 2HD LYS 79 6.589 -17.282 -15.712 547 HD3 LYS 79 3HD LYS 79 7.052 -15.579 -15.749 548 HE2 LYS 79 2HE LYS 79 9.087 -16.310 -14.368 549 HE3 LYS 79 3HE LYS 79 8.664 -17.950 -14.857 550 HZ1 LYS 79 1HZ LYS 79 9.069 -17.471 -17.082 551 HZ2 LYS 79 2HZ LYS 79 10.329 -16.677 -16.279 552 HZ3 LYS 79 3HZ LYS 79 9.002 -15.796 -16.850 553 H LYS 80 H LYS 80 6.224 -13.733 -12.595 554 HA LYS 80 HA LYS 80 4.884 -11.598 -11.408 555 HB2 LYS 80 2HB LYS 80 7.362 -11.790 -11.873 556 HB3 LYS 80 3HB LYS 80 7.010 -11.341 -13.537 557 HG2 LYS 80 2HG LYS 80 7.578 -9.314 -12.646 558 HG3 LYS 80 3HG LYS 80 5.828 -9.293 -12.423 559 HD2 LYS 80 2HD LYS 80 6.059 -9.142 -10.214 560 HD3 LYS 80 3HD LYS 80 7.102 -10.565 -10.181 561 HE2 LYS 80 2HE LYS 80 8.159 -7.894 -11.036 562 HE3 LYS 80 3HE LYS 80 8.036 -8.314 -9.329 563 HZ1 LYS 80 1HZ LYS 80 9.695 -9.583 -11.417 564 HZ2 LYS 80 2HZ LYS 80 9.325 -10.394 -9.980 565 HZ3 LYS 80 3HZ LYS 80 10.180 -8.936 -9.931 566 H ASP 81 H ASP 81 4.893 -12.726 -14.722 567 HA ASP 81 HA ASP 81 3.653 -10.420 -15.844 568 HB2 ASP 81 2HB ASP 81 4.123 -13.231 -16.783 569 HB3 ASP 81 3HB ASP 81 3.075 -12.157 -17.705 570 H SER 82 H SER 82 2.435 -13.585 -14.794 571 HA SER 82 HA SER 82 0.330 -14.353 -14.382 572 HB2 SER 82 2HB SER 82 -0.572 -11.582 -13.709 573 HB3 SER 82 3HB SER 82 -0.883 -13.098 -12.864 574 HG SER 82 HG SER 82 1.204 -11.326 -12.600 575 H VAL 83 H VAL 83 -0.038 -14.766 -16.636 576 HA VAL 83 HA VAL 83 -1.851 -12.843 -17.936 577 HB VAL 83 HB VAL 83 0.097 -13.261 -19.289 578 HG11 VAL 83 1HG1 VAL 83 -0.105 -15.881 -18.236 579 HG12 VAL 83 2HG1 VAL 83 -0.209 -16.000 -19.993 580 HG13 VAL 83 3HG1 VAL 83 1.173 -15.201 -19.243 581 HG21 VAL 83 1HG2 VAL 83 -2.287 -14.762 -20.368 582 HG22 VAL 83 2HG2 VAL 83 -2.030 -13.020 -20.461 583 HG23 VAL 83 3HG2 VAL 83 -0.955 -14.118 -21.327 584 H PHE 84 H PHE 84 -3.928 -13.356 -17.923 585 HA PHE 84 HA PHE 84 -4.681 -16.202 -17.984 586 HB2 PHE 84 2HB PHE 84 -6.683 -14.560 -16.690 587 HB3 PHE 84 3HB PHE 84 -5.885 -16.015 -16.103 588 HD1 PHE 84 HD1 PHE 84 -5.638 -12.342 -16.302 589 HD2 PHE 84 HD2 PHE 84 -4.134 -15.903 -14.521 590 HE1 PHE 84 HE1 PHE 84 -4.399 -10.993 -14.660 591 HE2 PHE 84 HE2 PHE 84 -2.893 -14.560 -12.875 592 HZ PHE 84 HZ PHE 84 -3.025 -12.101 -12.942 593 H VAL 85 H VAL 85 -6.228 -16.767 -19.414 594 HA VAL 85 HA VAL 85 -7.162 -14.705 -21.248 595 HB VAL 85 HB VAL 85 -7.603 -17.684 -21.446 596 HG11 VAL 85 1HG1 VAL 85 -7.703 -17.032 -23.923 597 HG12 VAL 85 2HG1 VAL 85 -9.087 -16.619 -22.907 598 HG13 VAL 85 3HG1 VAL 85 -7.910 -15.379 -23.343 599 HG21 VAL 85 1HG2 VAL 85 -5.279 -15.984 -22.269 600 HG22 VAL 85 2HG2 VAL 85 -5.281 -17.539 -21.437 601 HG23 VAL 85 3HG2 VAL 85 -5.679 -17.456 -23.153 602 H LEU 86 H LEU 86 -9.318 -14.295 -21.710 603 HA LEU 86 HA LEU 86 -11.228 -15.284 -19.699 604 HB2 LEU 86 2HB LEU 86 -10.568 -12.757 -19.972 605 HB3 LEU 86 3HB LEU 86 -11.719 -12.820 -21.305 606 HG LEU 86 HG LEU 86 -12.617 -13.821 -18.656 607 HD11 LEU 86 1HD1 LEU 86 -13.106 -11.637 -17.823 608 HD12 LEU 86 2HD1 LEU 86 -12.489 -10.880 -19.291 609 HD13 LEU 86 3HD1 LEU 86 -11.382 -11.705 -18.193 610 HD21 LEU 86 1HD2 LEU 86 -14.324 -13.995 -20.158 611 HD22 LEU 86 2HD2 LEU 86 -13.777 -12.614 -21.110 612 HD23 LEU 86 3HD2 LEU 86 -14.615 -12.354 -19.579 613 H VAL 87 H VAL 87 -12.576 -16.756 -20.477 614 HA VAL 87 HA VAL 87 -13.827 -16.305 -23.082 615 HB VAL 87 HB VAL 87 -13.516 -18.599 -23.798 616 HG11 VAL 87 1HG1 VAL 87 -10.757 -17.759 -23.031 617 HG12 VAL 87 2HG1 VAL 87 -11.357 -18.386 -24.568 618 HG13 VAL 87 3HG1 VAL 87 -11.716 -16.726 -24.090 619 HG21 VAL 87 1HG2 VAL 87 -12.015 -20.118 -22.559 620 HG22 VAL 87 2HG2 VAL 87 -11.932 -18.937 -21.253 621 HG23 VAL 87 3HG2 VAL 87 -13.469 -19.707 -21.649 622 H ARG 88 H ARG 88 -15.789 -17.556 -23.395 623 HA ARG 88 HA ARG 88 -17.041 -18.292 -20.832 624 HB2 ARG 88 2HB ARG 88 -19.142 -17.534 -21.690 625 HB3 ARG 88 3HB ARG 88 -17.961 -16.264 -21.982 626 HG2 ARG 88 2HG ARG 88 -17.751 -17.506 -24.311 627 HG3 ARG 88 3HG ARG 88 -19.394 -18.006 -23.903 628 HD2 ARG 88 2HD ARG 88 -18.724 -15.145 -23.538 629 HD3 ARG 88 3HD ARG 88 -18.842 -15.733 -25.196 630 HE ARG 88 HE ARG 88 -20.995 -15.332 -23.348 631 HH11 ARG 88 1HH1 ARG 88 -19.933 -17.148 -26.122 632 HH12 ARG 88 2HH1 ARG 88 -21.539 -17.478 -26.683 633 HH21 ARG 88 1HH2 ARG 88 -23.114 -15.760 -24.077 634 HH22 ARG 88 2HH2 ARG 88 -23.347 -16.687 -25.520 635 H LYS 89 H LYS 89 -18.183 -20.181 -20.677 636 HA LYS 89 HA LYS 89 -17.769 -22.091 -22.855 637 HB2 LYS 89 2HB LYS 89 -16.980 -22.813 -20.685 638 HB3 LYS 89 3HB LYS 89 -18.548 -22.480 -19.961 639 HG2 LYS 89 2HG LYS 89 -19.217 -24.536 -20.416 640 HG3 LYS 89 3HG LYS 89 -18.922 -24.276 -22.137 641 HD2 LYS 89 2HD LYS 89 -16.745 -25.123 -22.008 642 HD3 LYS 89 3HD LYS 89 -16.681 -24.942 -20.254 643 HE2 LYS 89 2HE LYS 89 -18.856 -26.665 -21.008 644 HE3 LYS 89 3HE LYS 89 -17.348 -27.238 -21.720 645 HZ1 LYS 89 1HZ LYS 89 -17.019 -26.457 -18.994 646 HZ2 LYS 89 2HZ LYS 89 -16.627 -27.919 -19.748 647 HZ3 LYS 89 3HZ LYS 89 -18.192 -27.665 -19.157 648 H ALA 90 H ALA 90 -20.322 -20.695 -20.860 649 HA ALA 90 HA ALA 90 -22.295 -21.794 -22.754 650 HB1 ALA 90 1HB ALA 90 -22.655 -22.965 -20.737 651 HB2 ALA 90 2HB ALA 90 -22.503 -21.497 -19.769 652 HB3 ALA 90 3HB ALA 90 -23.910 -21.726 -20.809 Start of MODEL 13 1 H1 MET 10 H MET 10 2.075 -12.225 -1.139 2 HA MET 10 HA MET 10 3.684 -11.351 0.635 3 HB2 MET 10 2HB MET 10 4.230 -12.428 -1.769 4 HB3 MET 10 3HB MET 10 4.959 -10.843 -1.994 5 HG2 MET 10 2HG MET 10 6.556 -11.194 -0.387 6 HG3 MET 10 3HG MET 10 5.583 -12.385 0.473 7 HE1 MET 10 1HE MET 10 6.407 -14.300 0.810 8 HE2 MET 10 2HE MET 10 7.093 -15.477 -0.310 9 HE3 MET 10 3HE MET 10 8.123 -14.235 0.403 10 H SER 11 H SER 11 1.794 -9.189 -0.023 11 HA SER 11 HA SER 11 1.677 -6.922 0.120 12 HB2 SER 11 2HB SER 11 4.611 -6.852 0.789 13 HB3 SER 11 3HB SER 11 3.324 -5.793 1.363 14 HG SER 11 HG SER 11 3.122 -7.100 2.980 15 H GLU 12 H GLU 12 3.330 -4.867 -0.534 16 HA GLU 12 HA GLU 12 4.135 -3.661 -2.287 17 HB2 GLU 12 2HB GLU 12 5.021 -6.274 -3.506 18 HB3 GLU 12 3HB GLU 12 5.702 -4.675 -3.770 19 HG2 GLU 12 2HG GLU 12 6.308 -4.694 -1.304 20 HG3 GLU 12 3HG GLU 12 5.925 -6.414 -1.338 21 H THR 13 H THR 13 4.155 -3.791 -4.909 22 HA THR 13 HA THR 13 1.344 -4.188 -5.591 23 HB THR 13 HB THR 13 2.324 -3.067 -7.817 24 HG1 THR 13 HG1 THR 13 4.132 -1.948 -7.474 25 HG21 THR 13 1HG2 THR 13 1.417 -1.865 -5.235 26 HG22 THR 13 2HG2 THR 13 0.590 -1.936 -6.791 27 HG23 THR 13 3HG2 THR 13 1.926 -0.810 -6.552 28 H ILE 14 H ILE 14 0.652 -5.388 -7.370 29 HA ILE 14 HA ILE 14 2.646 -7.068 -8.711 30 HB ILE 14 HB ILE 14 0.080 -8.194 -7.594 31 HG12 ILE 14 2HG1 ILE 14 1.670 -7.534 -5.797 32 HG13 ILE 14 3HG1 ILE 14 1.410 -9.273 -5.880 33 HG21 ILE 14 1HG2 ILE 14 2.494 -9.513 -8.829 34 HG22 ILE 14 2HG2 ILE 14 1.100 -10.353 -8.151 35 HG23 ILE 14 3HG2 ILE 14 0.907 -9.333 -9.577 36 HD11 ILE 14 1HD1 ILE 14 3.536 -9.695 -6.561 37 HD12 ILE 14 2HD1 ILE 14 3.706 -8.138 -7.372 38 HD13 ILE 14 3HD1 ILE 14 3.813 -8.233 -5.614 39 HA PRO 15 HA PRO 15 0.002 -5.389 -11.972 40 HB2 PRO 15 2HB PRO 15 1.784 -5.879 -13.960 41 HB3 PRO 15 3HB PRO 15 1.894 -4.472 -12.896 42 HG2 PRO 15 2HG PRO 15 3.378 -7.068 -12.762 43 HG3 PRO 15 3HG PRO 15 3.987 -5.419 -12.534 44 HD2 PRO 15 2HD PRO 15 3.423 -7.063 -10.458 45 HD3 PRO 15 3HD PRO 15 3.222 -5.302 -10.362 46 H VAL 16 H VAL 16 -1.597 -6.581 -12.777 47 HA VAL 16 HA VAL 16 -0.978 -9.284 -13.780 48 HB VAL 16 HB VAL 16 -3.265 -9.962 -13.131 49 HG11 VAL 16 1HG1 VAL 16 -2.357 -10.747 -11.262 50 HG12 VAL 16 2HG1 VAL 16 -1.024 -9.611 -11.479 51 HG13 VAL 16 3HG1 VAL 16 -2.425 -9.153 -10.510 52 HG21 VAL 16 1HG2 VAL 16 -4.643 -8.601 -11.741 53 HG22 VAL 16 2HG2 VAL 16 -3.385 -7.374 -11.591 54 HG23 VAL 16 3HG2 VAL 16 -4.188 -7.630 -13.141 55 H SER 17 H SER 17 -2.198 -10.022 -15.573 56 HA SER 17 HA SER 17 -3.687 -7.945 -17.028 57 HB2 SER 17 2HB SER 17 -1.734 -9.835 -18.353 58 HB3 SER 17 3HB SER 17 -2.579 -8.474 -19.091 59 HG SER 17 HG SER 17 -0.516 -7.806 -18.602 60 H VAL 18 H VAL 18 -5.513 -8.617 -18.013 61 HA VAL 18 HA VAL 18 -6.046 -11.516 -18.067 62 HB VAL 18 HB VAL 18 -8.132 -9.398 -17.553 63 HG11 VAL 18 1HG1 VAL 18 -8.144 -12.317 -17.913 64 HG12 VAL 18 2HG1 VAL 18 -9.106 -11.717 -16.560 65 HG13 VAL 18 3HG1 VAL 18 -9.419 -11.131 -18.194 66 HG21 VAL 18 1HG2 VAL 18 -6.174 -10.507 -15.759 67 HG22 VAL 18 2HG2 VAL 18 -7.378 -9.253 -15.465 68 HG23 VAL 18 3HG2 VAL 18 -7.804 -10.951 -15.252 69 H GLN 19 H GLN 19 -6.982 -12.339 -19.876 70 HA GLN 19 HA GLN 19 -7.413 -10.454 -22.093 71 HB2 GLN 19 2HB GLN 19 -5.809 -12.727 -21.950 72 HB3 GLN 19 3HB GLN 19 -7.218 -13.248 -22.865 73 HG2 GLN 19 2HG GLN 19 -6.059 -12.457 -24.609 74 HG3 GLN 19 3HG GLN 19 -6.703 -10.904 -24.081 75 HE21 GLN 19 1HE2 GLN 19 -3.983 -12.436 -25.025 76 HE22 GLN 19 2HE2 GLN 19 -2.795 -11.435 -24.269 77 H CYS 20 H CYS 20 -9.313 -10.416 -23.176 78 HA CYS 20 HA CYS 20 -11.326 -12.452 -22.530 79 HB2 CYS 20 2HB CYS 20 -11.956 -9.500 -22.637 80 HB3 CYS 20 3HB CYS 20 -13.031 -10.807 -22.157 81 HG CYS 20 HG CYS 20 -12.613 -10.313 -19.673 82 H CYS 21 H CYS 21 -12.907 -12.796 -24.127 83 HA CYS 21 HA CYS 21 -12.024 -12.571 -26.776 84 HB2 CYS 21 2HB CYS 21 -14.603 -13.354 -25.480 85 HB3 CYS 21 3HB CYS 21 -14.573 -13.094 -27.220 86 HG CYS 21 HG CYS 21 -14.383 -15.823 -26.813 87 H GLU 22 H GLU 22 -13.733 -10.367 -24.772 88 HA GLU 22 HA GLU 22 -14.726 -8.805 -27.021 89 HB2 GLU 22 2HB GLU 22 -15.130 -8.772 -24.069 90 HB3 GLU 22 3HB GLU 22 -15.364 -7.267 -24.948 91 HG2 GLU 22 2HG GLU 22 -16.700 -9.737 -25.935 92 HG3 GLU 22 3HG GLU 22 -17.356 -8.907 -24.524 93 H GLY 23 H GLY 23 -12.052 -8.899 -24.849 94 HA2 GLY 23 2HA GLY 23 -10.439 -7.152 -26.223 95 HA3 GLY 23 3HA GLY 23 -11.309 -6.144 -25.076 96 H ARG 24 H ARG 24 -8.956 -5.815 -24.447 97 HA ARG 24 HA ARG 24 -8.170 -7.876 -22.492 98 HB2 ARG 24 2HB ARG 24 -5.850 -7.030 -22.760 99 HB3 ARG 24 3HB ARG 24 -6.510 -7.723 -24.235 100 HG2 ARG 24 2HG ARG 24 -5.960 -5.865 -25.300 101 HG3 ARG 24 3HG ARG 24 -7.134 -4.990 -24.314 102 HD2 ARG 24 2HD ARG 24 -5.143 -5.061 -22.562 103 HD3 ARG 24 3HD ARG 24 -4.184 -5.196 -24.035 104 HE ARG 24 HE ARG 24 -5.488 -2.864 -23.057 105 HH11 ARG 24 1HH1 ARG 24 -4.572 -4.528 -25.975 106 HH12 ARG 24 2HH1 ARG 24 -4.499 -3.084 -26.930 107 HH21 ARG 24 1HH2 ARG 24 -5.394 -0.957 -24.303 108 HH22 ARG 24 2HH2 ARG 24 -4.965 -1.053 -25.978 109 H PHE 25 H PHE 25 -7.645 -7.251 -20.429 110 HA PHE 25 HA PHE 25 -7.720 -4.399 -19.778 111 HB2 PHE 25 2HB PHE 25 -10.021 -5.459 -19.497 112 HB3 PHE 25 3HB PHE 25 -9.318 -6.403 -18.186 113 HD1 PHE 25 HD1 PHE 25 -9.796 -5.616 -16.096 114 HD2 PHE 25 HD2 PHE 25 -9.280 -2.828 -19.271 115 HE1 PHE 25 HE1 PHE 25 -10.222 -3.763 -14.534 116 HE2 PHE 25 HE2 PHE 25 -9.704 -0.971 -17.714 117 HZ PHE 25 HZ PHE 25 -10.175 -1.437 -15.342 118 H GLU 26 H GLU 26 -6.212 -3.837 -18.336 119 HA GLU 26 HA GLU 26 -4.864 -5.997 -16.853 120 HB2 GLU 26 2HB GLU 26 -2.824 -4.731 -16.967 121 HB3 GLU 26 3HB GLU 26 -3.481 -4.869 -18.592 122 HG2 GLU 26 2HG GLU 26 -4.413 -2.596 -18.373 123 HG3 GLU 26 3HG GLU 26 -3.649 -2.465 -16.790 124 H LEU 27 H LEU 27 -4.158 -5.567 -14.719 125 HA LEU 27 HA LEU 27 -4.990 -3.112 -13.427 126 HB2 LEU 27 2HB LEU 27 -6.799 -5.161 -13.497 127 HB3 LEU 27 3HB LEU 27 -5.970 -5.454 -11.969 128 HG LEU 27 HG LEU 27 -6.490 -2.877 -11.619 129 HD11 LEU 27 1HD1 LEU 27 -9.061 -3.409 -12.870 130 HD12 LEU 27 2HD1 LEU 27 -7.742 -3.279 -14.033 131 HD13 LEU 27 3HD1 LEU 27 -8.058 -1.958 -12.908 132 HD21 LEU 27 1HD2 LEU 27 -8.764 -4.790 -11.266 133 HD22 LEU 27 2HD2 LEU 27 -8.194 -3.518 -10.184 134 HD23 LEU 27 3HD2 LEU 27 -7.262 -5.005 -10.367 135 H SER 28 H SER 28 -4.344 -3.087 -11.103 136 HA SER 28 HA SER 28 -2.103 -4.910 -10.551 137 HB2 SER 28 2HB SER 28 -1.876 -2.057 -9.700 138 HB3 SER 28 3HB SER 28 -0.607 -3.210 -10.113 139 HG SER 28 HG SER 28 -1.825 -1.391 -11.681 140 H VAL 29 H VAL 29 -2.221 -5.829 -8.614 141 HA VAL 29 HA VAL 29 -3.483 -4.417 -6.393 142 HB VAL 29 HB VAL 29 -4.327 -7.227 -7.099 143 HG11 VAL 29 1HG1 VAL 29 -6.127 -6.719 -5.433 144 HG12 VAL 29 2HG1 VAL 29 -4.500 -6.813 -4.755 145 HG13 VAL 29 3HG1 VAL 29 -5.253 -5.242 -5.031 146 HG21 VAL 29 1HG2 VAL 29 -5.874 -4.668 -7.498 147 HG22 VAL 29 2HG2 VAL 29 -5.129 -5.617 -8.785 148 HG23 VAL 29 3HG2 VAL 29 -6.445 -6.303 -7.832 149 H ASP 30 H ASP 30 -2.903 -5.216 -4.334 150 HA ASP 30 HA ASP 30 -0.301 -6.432 -4.262 151 HB2 ASP 30 2HB ASP 30 -2.164 -5.596 -2.030 152 HB3 ASP 30 3HB ASP 30 -0.502 -6.134 -1.805 153 H SER 31 H SER 31 0.268 -8.445 -3.568 154 HA SER 31 HA SER 31 -1.812 -10.453 -3.610 155 HB2 SER 31 2HB SER 31 0.469 -10.678 -4.731 156 HB3 SER 31 3HB SER 31 1.130 -10.921 -3.114 157 HG SER 31 HG SER 31 0.521 -12.912 -3.299 158 H ASN 32 H ASN 32 -2.662 -11.483 -1.909 159 HA ASN 32 HA ASN 32 -1.370 -11.968 0.534 160 HB2 ASN 32 2HB ASN 32 -2.537 -10.416 2.016 161 HB3 ASN 32 3HB ASN 32 -1.588 -9.528 0.827 162 HD21 ASN 32 1HD2 ASN 32 -2.810 -8.873 -1.157 163 HD22 ASN 32 2HD2 ASN 32 -4.425 -8.302 -0.931 164 H HIS 33 H HIS 33 -4.496 -11.293 -0.987 165 HA HIS 33 HA HIS 33 -5.783 -13.331 0.656 166 HB2 HIS 33 2HB HIS 33 -6.660 -10.988 -0.815 167 HB3 HIS 33 3HB HIS 33 -7.643 -12.396 -1.204 168 HD1 HIS 33 HD1 HIS 33 -6.403 -10.592 1.909 169 HD2 HIS 33 HD2 HIS 33 -9.641 -12.824 0.569 170 HE1 HIS 33 HE1 HIS 33 -8.064 -10.568 3.797 171 H THR 34 H THR 34 -7.414 -14.748 -0.605 172 HA THR 34 HA THR 34 -5.890 -16.349 -2.424 173 HB THR 34 HB THR 34 -7.901 -17.781 -2.534 174 HG1 THR 34 HG1 THR 34 -9.410 -15.975 -2.287 175 HG21 THR 34 1HG2 THR 34 -6.245 -17.952 -0.663 176 HG22 THR 34 2HG2 THR 34 -7.863 -18.522 -0.254 177 HG23 THR 34 3HG2 THR 34 -7.317 -16.941 0.304 178 H LEU 35 H LEU 35 -7.187 -17.227 -4.429 179 HA LEU 35 HA LEU 35 -7.211 -15.261 -6.372 180 HB2 LEU 35 2HB LEU 35 -7.348 -17.927 -6.425 181 HB3 LEU 35 3HB LEU 35 -9.041 -17.561 -6.748 182 HG LEU 35 HG LEU 35 -7.779 -17.944 -8.808 183 HD11 LEU 35 1HD1 LEU 35 -8.630 -16.120 -10.017 184 HD12 LEU 35 2HD1 LEU 35 -8.462 -15.024 -8.647 185 HD13 LEU 35 3HD1 LEU 35 -9.695 -16.284 -8.620 186 HD21 LEU 35 1HD2 LEU 35 -6.012 -16.499 -9.515 187 HD22 LEU 35 2HD2 LEU 35 -5.601 -17.113 -7.913 188 HD23 LEU 35 3HD2 LEU 35 -6.214 -15.469 -8.097 189 H ARG 36 H ARG 36 -9.738 -16.239 -4.190 190 HA ARG 36 HA ARG 36 -12.009 -15.320 -5.462 191 HB2 ARG 36 2HB ARG 36 -11.325 -16.167 -2.872 192 HB3 ARG 36 3HB ARG 36 -12.072 -14.588 -2.671 193 HG2 ARG 36 2HG ARG 36 -13.902 -15.559 -4.248 194 HG3 ARG 36 3HG ARG 36 -13.240 -17.114 -3.738 195 HD2 ARG 36 2HD ARG 36 -13.487 -16.175 -1.347 196 HD3 ARG 36 3HD ARG 36 -14.561 -14.989 -2.088 197 HE ARG 36 HE ARG 36 -16.156 -16.614 -2.273 198 HH11 ARG 36 1HH1 ARG 36 -13.062 -18.124 -1.753 199 HH12 ARG 36 2HH1 ARG 36 -13.722 -19.716 -1.579 200 HH21 ARG 36 1HH2 ARG 36 -17.037 -18.706 -2.046 201 HH22 ARG 36 2HH2 ARG 36 -15.983 -20.046 -1.747 202 H ASP 37 H ASP 37 -9.451 -13.510 -3.928 203 HA ASP 37 HA ASP 37 -10.878 -11.018 -3.889 204 HB2 ASP 37 2HB ASP 37 -9.141 -11.337 -2.260 205 HB3 ASP 37 3HB ASP 37 -7.958 -11.698 -3.515 206 H VAL 38 H VAL 38 -8.301 -12.411 -5.900 207 HA VAL 38 HA VAL 38 -7.959 -10.223 -7.616 208 HB VAL 38 HB VAL 38 -7.593 -13.150 -8.271 209 HG11 VAL 38 1HG1 VAL 38 -7.243 -12.355 -10.334 210 HG12 VAL 38 2HG1 VAL 38 -7.135 -10.686 -9.771 211 HG13 VAL 38 3HG1 VAL 38 -5.722 -11.739 -9.687 212 HG21 VAL 38 1HG2 VAL 38 -5.187 -12.640 -7.734 213 HG22 VAL 38 2HG2 VAL 38 -5.745 -11.122 -7.029 214 HG23 VAL 38 3HG2 VAL 38 -6.281 -12.659 -6.351 215 H LEU 39 H LEU 39 -10.092 -13.046 -7.865 216 HA LEU 39 HA LEU 39 -11.168 -12.329 -10.398 217 HB2 LEU 39 2HB LEU 39 -11.222 -14.564 -8.856 218 HB3 LEU 39 3HB LEU 39 -12.852 -13.941 -8.609 219 HG LEU 39 HG LEU 39 -12.316 -13.888 -11.396 220 HD11 LEU 39 1HD1 LEU 39 -10.711 -15.515 -11.436 221 HD12 LEU 39 2HD1 LEU 39 -12.165 -16.511 -11.503 222 HD13 LEU 39 3HD1 LEU 39 -11.311 -16.301 -9.975 223 HD21 LEU 39 1HD2 LEU 39 -14.517 -14.076 -10.439 224 HD22 LEU 39 2HD2 LEU 39 -14.095 -15.607 -9.671 225 HD23 LEU 39 3HD2 LEU 39 -14.196 -15.500 -11.429 226 H ARG 40 H ARG 40 -12.099 -11.700 -7.066 227 HA ARG 40 HA ARG 40 -14.679 -10.742 -7.450 228 HB2 ARG 40 2HB ARG 40 -13.862 -11.110 -5.227 229 HB3 ARG 40 3HB ARG 40 -12.566 -9.943 -5.449 230 HG2 ARG 40 2HG ARG 40 -14.172 -8.131 -5.538 231 HG3 ARG 40 3HG ARG 40 -15.503 -9.283 -5.404 232 HD2 ARG 40 2HD ARG 40 -13.367 -9.255 -3.319 233 HD3 ARG 40 3HD ARG 40 -14.619 -8.013 -3.291 234 HE ARG 40 HE ARG 40 -15.639 -10.695 -3.498 235 HH11 ARG 40 1HH1 ARG 40 -14.590 -8.182 -1.330 236 HH12 ARG 40 2HH1 ARG 40 -15.506 -8.779 0.014 237 HH21 ARG 40 1HH2 ARG 40 -16.849 -11.491 -1.737 238 HH22 ARG 40 2HH2 ARG 40 -16.790 -10.662 -0.218 239 H GLN 41 H GLN 41 -11.592 -8.994 -7.598 240 HA GLN 41 HA GLN 41 -12.817 -6.489 -8.235 241 HB2 GLN 41 2HB GLN 41 -10.339 -7.251 -7.336 242 HB3 GLN 41 3HB GLN 41 -10.007 -6.824 -9.010 243 HG2 GLN 41 2HG GLN 41 -10.357 -4.630 -8.664 244 HG3 GLN 41 3HG GLN 41 -11.661 -4.909 -7.511 245 HE21 GLN 41 1HE2 GLN 41 -8.337 -6.098 -7.467 246 HE22 GLN 41 2HE2 GLN 41 -7.895 -5.336 -5.980 247 H PHE 42 H PHE 42 -11.038 -8.931 -10.104 248 HA PHE 42 HA PHE 42 -11.027 -7.672 -12.571 249 HB2 PHE 42 2HB PHE 42 -9.746 -9.636 -12.402 250 HB3 PHE 42 3HB PHE 42 -11.101 -10.573 -11.781 251 HD1 PHE 42 HD1 PHE 42 -11.789 -12.207 -13.223 252 HD2 PHE 42 HD2 PHE 42 -10.489 -8.479 -14.813 253 HE1 PHE 42 HE1 PHE 42 -12.274 -13.012 -15.497 254 HE2 PHE 42 HE2 PHE 42 -10.973 -9.277 -17.089 255 HZ PHE 42 HZ PHE 42 -11.867 -11.546 -17.434 256 H LYS 43 H LYS 43 -13.480 -9.879 -11.242 257 HA LYS 43 HA LYS 43 -15.224 -9.649 -13.480 258 HB2 LYS 43 2HB LYS 43 -16.755 -10.956 -12.237 259 HB3 LYS 43 3HB LYS 43 -15.159 -11.540 -11.785 260 HG2 LYS 43 2HG LYS 43 -15.329 -9.975 -9.786 261 HG3 LYS 43 3HG LYS 43 -17.041 -9.833 -10.192 262 HD2 LYS 43 2HD LYS 43 -15.794 -12.537 -9.920 263 HD3 LYS 43 3HD LYS 43 -16.252 -11.632 -8.475 264 HE2 LYS 43 2HE LYS 43 -18.389 -11.508 -10.359 265 HE3 LYS 43 3HE LYS 43 -17.897 -13.190 -10.171 266 HZ1 LYS 43 1HZ LYS 43 -19.641 -12.357 -8.583 267 HZ2 LYS 43 2HZ LYS 43 -18.434 -11.422 -7.857 268 HZ3 LYS 43 3HZ LYS 43 -18.303 -13.108 -7.871 269 H ARG 44 H ARG 44 -14.799 -7.862 -10.518 270 HA ARG 44 HA ARG 44 -17.303 -6.508 -10.575 271 HB2 ARG 44 2HB ARG 44 -16.125 -6.640 -8.493 272 HB3 ARG 44 3HB ARG 44 -14.693 -5.895 -9.191 273 HG2 ARG 44 2HG ARG 44 -17.180 -4.311 -9.306 274 HG3 ARG 44 3HG ARG 44 -16.474 -4.564 -7.708 275 HD2 ARG 44 2HD ARG 44 -14.647 -3.304 -8.167 276 HD3 ARG 44 3HD ARG 44 -14.610 -3.784 -9.863 277 HE ARG 44 HE ARG 44 -16.844 -2.188 -9.554 278 HH11 ARG 44 1HH1 ARG 44 -13.399 -1.867 -9.167 279 HH12 ARG 44 2HH1 ARG 44 -13.383 -0.176 -9.547 280 HH21 ARG 44 1HH2 ARG 44 -16.835 0.037 -10.057 281 HH22 ARG 44 2HH2 ARG 44 -15.338 0.906 -10.052 282 H GLU 45 H GLU 45 -14.277 -6.059 -12.183 283 HA GLU 45 HA GLU 45 -15.017 -3.358 -13.038 284 HB2 GLU 45 2HB GLU 45 -12.484 -4.900 -12.908 285 HB3 GLU 45 3HB GLU 45 -12.641 -3.746 -14.226 286 HG2 GLU 45 2HG GLU 45 -13.313 -2.837 -11.482 287 HG3 GLU 45 3HG GLU 45 -11.616 -3.069 -11.896 288 H VAL 46 H VAL 46 -14.385 -6.587 -14.298 289 HA VAL 46 HA VAL 46 -14.451 -6.045 -17.029 290 HB VAL 46 HB VAL 46 -13.970 -8.272 -15.764 291 HG11 VAL 46 1HG1 VAL 46 -15.698 -9.759 -15.416 292 HG12 VAL 46 2HG1 VAL 46 -16.453 -8.229 -14.965 293 HG13 VAL 46 3HG1 VAL 46 -16.774 -8.939 -16.547 294 HG21 VAL 46 1HG2 VAL 46 -13.584 -8.149 -18.086 295 HG22 VAL 46 2HG2 VAL 46 -14.627 -9.553 -17.858 296 HG23 VAL 46 3HG2 VAL 46 -15.307 -8.037 -18.448 297 H ALA 47 H ALA 47 -17.006 -6.111 -14.699 298 HA ALA 47 HA ALA 47 -19.167 -6.481 -16.520 299 HB1 ALA 47 1HB ALA 47 -20.493 -5.458 -14.563 300 HB2 ALA 47 2HB ALA 47 -19.692 -7.011 -14.318 301 HB3 ALA 47 3HB ALA 47 -18.965 -5.534 -13.685 302 H ALA 48 H ALA 48 -17.111 -3.866 -15.866 303 HA ALA 48 HA ALA 48 -18.855 -1.685 -16.256 304 HB1 ALA 48 1HB ALA 48 -16.755 -0.442 -16.842 305 HB2 ALA 48 2HB ALA 48 -16.724 -1.274 -15.288 306 HB3 ALA 48 3HB ALA 48 -15.888 -1.969 -16.677 307 H LEU 49 H LEU 49 -17.013 -3.692 -18.495 308 HA LEU 49 HA LEU 49 -18.272 -2.256 -20.737 309 HB2 LEU 49 2HB LEU 49 -16.381 -3.496 -22.035 310 HB3 LEU 49 3HB LEU 49 -16.037 -2.008 -21.155 311 HG LEU 49 HG LEU 49 -15.611 -4.550 -19.696 312 HD11 LEU 49 1HD1 LEU 49 -13.870 -5.339 -20.884 313 HD12 LEU 49 2HD1 LEU 49 -13.352 -3.734 -21.396 314 HD13 LEU 49 3HD1 LEU 49 -14.684 -4.537 -22.227 315 HD21 LEU 49 1HD2 LEU 49 -13.419 -2.781 -19.596 316 HD22 LEU 49 2HD2 LEU 49 -14.619 -3.100 -18.344 317 HD23 LEU 49 3HD2 LEU 49 -14.879 -1.797 -19.504 318 H ASP 50 H ASP 50 -17.902 -5.286 -19.135 319 HA ASP 50 HA ASP 50 -19.194 -6.720 -21.341 320 HB2 ASP 50 2HB ASP 50 -17.099 -7.541 -19.963 321 HB3 ASP 50 3HB ASP 50 -18.327 -8.070 -18.817 322 HA PRO 51 HA PRO 51 -22.951 -5.974 -18.950 323 HB2 PRO 51 2HB PRO 51 -24.629 -6.673 -20.966 324 HB3 PRO 51 3HB PRO 51 -23.864 -5.083 -20.861 325 HG2 PRO 51 2HG PRO 51 -23.076 -7.458 -22.503 326 HG3 PRO 51 3HG PRO 51 -23.129 -5.747 -22.965 327 HD2 PRO 51 2HD PRO 51 -20.826 -7.006 -22.299 328 HD3 PRO 51 3HD PRO 51 -21.105 -5.285 -21.965 329 H ILE 52 H ILE 52 -21.778 -8.820 -20.530 330 HA ILE 52 HA ILE 52 -23.872 -10.546 -19.542 331 HB ILE 52 HB ILE 52 -21.215 -11.306 -20.760 332 HG12 ILE 52 2HG1 ILE 52 -23.916 -11.109 -22.105 333 HG13 ILE 52 3HG1 ILE 52 -22.666 -9.876 -22.224 334 HG21 ILE 52 1HG2 ILE 52 -23.560 -12.823 -19.812 335 HG22 ILE 52 2HG2 ILE 52 -22.880 -13.326 -21.358 336 HG23 ILE 52 3HG2 ILE 52 -21.865 -13.298 -19.917 337 HD11 ILE 52 1HD1 ILE 52 -21.333 -12.158 -22.943 338 HD12 ILE 52 2HD1 ILE 52 -22.939 -12.402 -23.629 339 HD13 ILE 52 3HD1 ILE 52 -22.012 -10.962 -24.047 340 H ASN 53 H ASN 53 -23.688 -12.088 -17.919 341 HA ASN 53 HA ASN 53 -22.078 -11.364 -15.697 342 HB2 ASN 53 2HB ASN 53 -24.265 -13.158 -16.232 343 HB3 ASN 53 3HB ASN 53 -23.027 -13.991 -15.298 344 HD21 ASN 53 1HD2 ASN 53 -24.535 -14.068 -13.569 345 HD22 ASN 53 2HD2 ASN 53 -24.791 -12.685 -12.565 346 H LEU 54 H LEU 54 -20.013 -11.822 -15.375 347 HA LEU 54 HA LEU 54 -18.550 -13.595 -17.038 348 HB2 LEU 54 2HB LEU 54 -17.351 -11.778 -16.185 349 HB3 LEU 54 3HB LEU 54 -17.914 -12.066 -14.540 350 HG LEU 54 HG LEU 54 -16.492 -14.086 -14.444 351 HD11 LEU 54 1HD1 LEU 54 -14.627 -13.921 -16.341 352 HD12 LEU 54 2HD1 LEU 54 -16.006 -13.322 -17.262 353 HD13 LEU 54 3HD1 LEU 54 -16.074 -14.916 -16.511 354 HD21 LEU 54 1HD2 LEU 54 -14.855 -12.824 -13.614 355 HD22 LEU 54 2HD2 LEU 54 -15.755 -11.431 -14.213 356 HD23 LEU 54 3HD2 LEU 54 -14.473 -12.142 -15.195 357 H GLU 55 H GLU 55 -20.402 -14.064 -14.217 358 HA GLU 55 HA GLU 55 -19.033 -16.244 -13.060 359 HB2 GLU 55 2HB GLU 55 -21.325 -14.769 -12.482 360 HB3 GLU 55 3HB GLU 55 -21.918 -16.400 -12.761 361 HG2 GLU 55 2HG GLU 55 -20.747 -17.277 -10.980 362 HG3 GLU 55 3HG GLU 55 -19.577 -15.959 -10.966 363 H GLU 56 H GLU 56 -20.751 -15.972 -15.962 364 HA GLU 56 HA GLU 56 -21.580 -18.745 -16.082 365 HB2 GLU 56 2HB GLU 56 -21.563 -16.778 -18.365 366 HB3 GLU 56 3HB GLU 56 -22.555 -18.218 -18.182 367 HG2 GLU 56 2HG GLU 56 -23.764 -17.169 -16.349 368 HG3 GLU 56 3HG GLU 56 -22.757 -15.731 -16.499 369 H TYR 57 H TYR 57 -18.861 -16.828 -16.979 370 HA TYR 57 HA TYR 57 -17.795 -19.016 -18.630 371 HB2 TYR 57 2HB TYR 57 -16.640 -16.239 -18.423 372 HB3 TYR 57 3HB TYR 57 -16.355 -17.445 -19.673 373 HD1 TYR 57 HD1 TYR 57 -19.204 -18.268 -20.174 374 HD2 TYR 57 HD2 TYR 57 -17.432 -14.429 -19.702 375 HE1 TYR 57 HE1 TYR 57 -20.995 -17.280 -21.540 376 HE2 TYR 57 HE2 TYR 57 -19.219 -13.430 -21.066 377 HH TYR 57 HH TYR 57 -22.045 -15.185 -21.964 378 H VAL 58 H VAL 58 -15.348 -19.248 -18.456 379 HA VAL 58 HA VAL 58 -14.521 -19.040 -15.634 380 HB VAL 58 HB VAL 58 -15.072 -21.375 -16.283 381 HG11 VAL 58 1HG1 VAL 58 -14.297 -21.049 -18.674 382 HG12 VAL 58 2HG1 VAL 58 -12.654 -21.267 -18.067 383 HG13 VAL 58 3HG1 VAL 58 -13.836 -22.566 -17.901 384 HG21 VAL 58 1HG2 VAL 58 -13.528 -22.064 -14.829 385 HG22 VAL 58 2HG2 VAL 58 -12.208 -21.668 -15.929 386 HG23 VAL 58 3HG2 VAL 58 -12.884 -20.423 -14.878 387 H VAL 59 H VAL 59 -12.396 -18.509 -15.216 388 HA VAL 59 HA VAL 59 -10.830 -17.627 -17.552 389 HB VAL 59 HB VAL 59 -11.525 -15.760 -16.139 390 HG11 VAL 59 1HG1 VAL 59 -11.689 -17.114 -14.039 391 HG12 VAL 59 2HG1 VAL 59 -9.931 -17.024 -13.917 392 HG13 VAL 59 3HG1 VAL 59 -10.898 -15.550 -13.847 393 HG21 VAL 59 1HG2 VAL 59 -8.787 -15.609 -15.328 394 HG22 VAL 59 2HG2 VAL 59 -8.887 -16.382 -16.911 395 HG23 VAL 59 3HG2 VAL 59 -9.598 -14.787 -16.662 396 H ASN 60 H ASN 60 -8.877 -18.491 -17.869 397 HA ASN 60 HA ASN 60 -7.810 -20.270 -15.788 398 HB2 ASN 60 2HB ASN 60 -6.780 -21.542 -17.483 399 HB3 ASN 60 3HB ASN 60 -8.362 -21.135 -18.141 400 HD21 ASN 60 1HD2 ASN 60 -5.747 -21.796 -19.403 401 HD22 ASN 60 2HD2 ASN 60 -5.448 -20.501 -20.507 402 H HIS 61 H HIS 61 -5.673 -20.144 -15.136 403 HA HIS 61 HA HIS 61 -4.289 -17.655 -15.883 404 HB2 HIS 61 2HB HIS 61 -4.730 -17.493 -13.590 405 HB3 HIS 61 3HB HIS 61 -4.415 -19.204 -13.312 406 HD1 HIS 61 HD1 HIS 61 -2.069 -16.810 -15.064 407 HD2 HIS 61 HD2 HIS 61 -2.354 -18.966 -11.524 408 HE1 HIS 61 HE1 HIS 61 0.165 -16.552 -13.938 409 H GLU 62 H GLU 62 -2.684 -18.000 -17.264 410 HA GLU 62 HA GLU 62 -0.943 -18.975 -18.366 411 HB2 GLU 62 2HB GLU 62 -0.135 -18.571 -15.870 412 HB3 GLU 62 3HB GLU 62 -0.061 -20.328 -15.860 413 HG2 GLU 62 2HG GLU 62 1.172 -19.324 -18.240 414 HG3 GLU 62 3HG GLU 62 1.855 -18.526 -16.824 415 H GLY 63 H GLY 63 -3.415 -20.479 -18.255 416 HA2 GLY 63 2HA GLY 63 -3.940 -22.499 -19.330 417 HA3 GLY 63 3HA GLY 63 -2.316 -23.078 -18.987 418 H LYS 64 H LYS 64 -3.834 -21.674 -16.301 419 HA LYS 64 HA LYS 64 -4.374 -24.350 -15.207 420 HB2 LYS 64 2HB LYS 64 -2.643 -22.958 -14.066 421 HB3 LYS 64 3HB LYS 64 -3.891 -21.773 -13.701 422 HG2 LYS 64 2HG LYS 64 -3.980 -22.904 -11.758 423 HG3 LYS 64 3HG LYS 64 -5.053 -23.959 -12.680 424 HD2 LYS 64 2HD LYS 64 -3.273 -25.497 -13.119 425 HD3 LYS 64 3HD LYS 64 -2.078 -24.389 -12.440 426 HE2 LYS 64 2HE LYS 64 -3.265 -24.584 -10.249 427 HE3 LYS 64 3HE LYS 64 -4.274 -25.837 -10.968 428 HZ1 LYS 64 1HZ LYS 64 -2.530 -27.304 -11.084 429 HZ2 LYS 64 2HZ LYS 64 -2.157 -26.485 -9.652 430 HZ3 LYS 64 3HZ LYS 64 -1.348 -26.094 -11.084 431 H LEU 65 H LEU 65 -6.403 -24.917 -14.786 432 HA LEU 65 HA LEU 65 -8.511 -22.926 -15.044 433 HB2 LEU 65 2HB LEU 65 -8.333 -25.878 -15.184 434 HB3 LEU 65 3HB LEU 65 -9.857 -25.198 -14.617 435 HG LEU 65 HG LEU 65 -8.700 -24.164 -17.160 436 HD11 LEU 65 1HD1 LEU 65 -8.684 -26.773 -17.032 437 HD12 LEU 65 2HD1 LEU 65 -9.322 -25.954 -18.457 438 HD13 LEU 65 3HD1 LEU 65 -10.426 -26.594 -17.240 439 HD21 LEU 65 1HD2 LEU 65 -10.721 -23.177 -16.165 440 HD22 LEU 65 2HD2 LEU 65 -11.518 -24.749 -16.253 441 HD23 LEU 65 3HD2 LEU 65 -11.042 -23.916 -17.734 442 H LEU 66 H LEU 66 -9.562 -22.060 -13.380 443 HA LEU 66 HA LEU 66 -9.007 -23.087 -10.696 444 HB2 LEU 66 2HB LEU 66 -9.934 -20.462 -11.784 445 HB3 LEU 66 3HB LEU 66 -10.234 -20.870 -10.096 446 HG LEU 66 HG LEU 66 -8.253 -19.489 -10.301 447 HD11 LEU 66 1HD1 LEU 66 -7.442 -22.319 -9.664 448 HD12 LEU 66 2HD1 LEU 66 -8.370 -21.284 -8.579 449 HD13 LEU 66 3HD1 LEU 66 -6.729 -20.832 -9.040 450 HD21 LEU 66 1HD2 LEU 66 -6.866 -21.664 -11.818 451 HD22 LEU 66 2HD2 LEU 66 -6.423 -19.966 -11.640 452 HD23 LEU 66 3HD2 LEU 66 -7.781 -20.420 -12.671 453 H LEU 67 H LEU 67 -10.725 -23.278 -9.136 454 HA LEU 67 HA LEU 67 -13.440 -23.447 -10.184 455 HB2 LEU 67 2HB LEU 67 -12.128 -25.685 -10.362 456 HB3 LEU 67 3HB LEU 67 -12.380 -25.765 -8.619 457 HG LEU 67 HG LEU 67 -14.906 -25.342 -9.394 458 HD11 LEU 67 1HD1 LEU 67 -14.690 -25.261 -11.708 459 HD12 LEU 67 2HD1 LEU 67 -15.196 -26.923 -11.402 460 HD13 LEU 67 3HD1 LEU 67 -13.503 -26.565 -11.741 461 HD21 LEU 67 1HD2 LEU 67 -15.286 -27.500 -8.756 462 HD22 LEU 67 2HD2 LEU 67 -13.641 -27.300 -8.151 463 HD23 LEU 67 3HD2 LEU 67 -13.924 -28.133 -9.680 464 H ASP 68 H ASP 68 -11.517 -24.289 -7.298 465 HA ASP 68 HA ASP 68 -13.636 -23.419 -5.543 466 HB2 ASP 68 2HB ASP 68 -11.073 -24.845 -5.270 467 HB3 ASP 68 3HB ASP 68 -11.481 -23.802 -3.910 468 H ASP 69 H ASP 69 -10.832 -22.049 -6.982 469 HA ASP 69 HA ASP 69 -9.798 -20.028 -6.796 470 HB2 ASP 69 2HB ASP 69 -12.284 -18.910 -5.547 471 HB3 ASP 69 3HB ASP 69 -11.202 -18.171 -6.725 472 H SER 70 H SER 70 -9.712 -21.873 -4.496 473 HA SER 70 HA SER 70 -9.595 -20.075 -2.203 474 HB2 SER 70 2HB SER 70 -10.133 -22.832 -2.530 475 HB3 SER 70 3HB SER 70 -8.629 -22.719 -1.616 476 HG SER 70 HG SER 70 -11.001 -22.477 -0.644 477 H VAL 71 H VAL 71 -7.525 -21.544 -4.528 478 HA VAL 71 HA VAL 71 -5.103 -21.546 -3.075 479 HB VAL 71 HB VAL 71 -3.992 -21.592 -5.285 480 HG11 VAL 71 1HG1 VAL 71 -6.282 -23.466 -5.563 481 HG12 VAL 71 2HG1 VAL 71 -4.548 -23.770 -5.690 482 HG13 VAL 71 3HG1 VAL 71 -5.295 -23.567 -4.105 483 HG21 VAL 71 1HG2 VAL 71 -5.238 -20.209 -6.679 484 HG22 VAL 71 2HG2 VAL 71 -5.632 -21.825 -7.266 485 HG23 VAL 71 3HG2 VAL 71 -6.766 -20.964 -6.226 486 H THR 72 H THR 72 -3.350 -20.088 -3.146 487 HA THR 72 HA THR 72 -4.179 -17.306 -3.308 488 HB THR 72 HB THR 72 -2.307 -16.755 -2.035 489 HG1 THR 72 HG1 THR 72 -0.526 -18.335 -1.839 490 HG21 THR 72 1HG2 THR 72 -3.955 -18.616 -1.064 491 HG22 THR 72 2HG2 THR 72 -2.585 -17.995 -0.142 492 HG23 THR 72 3HG2 THR 72 -2.450 -19.531 -0.997 493 H LEU 73 H LEU 73 -1.971 -15.936 -3.963 494 HA LEU 73 HA LEU 73 -1.892 -16.171 -6.797 495 HB2 LEU 73 2HB LEU 73 -0.756 -14.373 -4.750 496 HB3 LEU 73 3HB LEU 73 0.126 -14.468 -6.273 497 HG LEU 73 HG LEU 73 -1.444 -12.578 -6.201 498 HD11 LEU 73 1HD1 LEU 73 -0.868 -13.534 -8.346 499 HD12 LEU 73 2HD1 LEU 73 -2.560 -13.039 -8.345 500 HD13 LEU 73 3HD1 LEU 73 -2.140 -14.744 -8.179 501 HD21 LEU 73 1HD2 LEU 73 -3.680 -14.580 -6.264 502 HD22 LEU 73 2HD2 LEU 73 -3.767 -12.834 -6.030 503 HD23 LEU 73 3HD2 LEU 73 -3.111 -13.863 -4.756 504 H GLN 74 H GLN 74 0.512 -16.738 -4.241 505 HA GLN 74 HA GLN 74 2.526 -17.629 -6.060 506 HB2 GLN 74 2HB GLN 74 2.232 -17.700 -3.068 507 HB3 GLN 74 3HB GLN 74 3.577 -18.500 -3.870 508 HG2 GLN 74 2HG GLN 74 4.643 -16.579 -4.264 509 HG3 GLN 74 3HG GLN 74 3.164 -15.740 -4.728 510 HE21 GLN 74 1HE2 GLN 74 1.758 -15.017 -2.984 511 HE22 GLN 74 2HE2 GLN 74 2.467 -14.529 -1.486 512 H THR 75 H THR 75 -0.051 -19.147 -4.282 513 HA THR 75 HA THR 75 0.814 -21.797 -4.267 514 HB THR 75 HB THR 75 -2.033 -20.835 -4.605 515 HG1 THR 75 HG1 THR 75 -0.651 -21.471 -2.197 516 HG21 THR 75 1HG2 THR 75 -1.581 -23.237 -3.032 517 HG22 THR 75 2HG2 THR 75 -1.031 -23.416 -4.698 518 HG23 THR 75 3HG2 THR 75 -2.700 -22.957 -4.365 519 H VAL 76 H VAL 76 -1.143 -20.090 -6.704 520 HA VAL 76 HA VAL 76 -1.284 -22.302 -8.483 521 HB VAL 76 HB VAL 76 -1.996 -20.581 -10.172 522 HG11 VAL 76 1HG1 VAL 76 -3.298 -21.244 -7.638 523 HG12 VAL 76 2HG1 VAL 76 -3.949 -19.807 -8.429 524 HG13 VAL 76 3HG1 VAL 76 -3.908 -21.347 -9.289 525 HG21 VAL 76 1HG2 VAL 76 -2.289 -18.313 -9.548 526 HG22 VAL 76 2HG2 VAL 76 -1.887 -18.650 -7.865 527 HG23 VAL 76 3HG2 VAL 76 -0.637 -18.742 -9.105 528 H GLY 77 H GLY 77 1.060 -19.810 -7.925 529 HA2 GLY 77 2HA GLY 77 3.306 -19.984 -8.657 530 HA3 GLY 77 3HA GLY 77 2.770 -21.015 -9.975 531 H VAL 78 H VAL 78 1.382 -17.901 -9.076 532 HA VAL 78 HA VAL 78 1.457 -16.944 -11.742 533 HB VAL 78 HB VAL 78 -0.195 -16.205 -10.024 534 HG11 VAL 78 1HG1 VAL 78 1.986 -15.749 -8.448 535 HG12 VAL 78 2HG1 VAL 78 1.561 -14.117 -8.967 536 HG13 VAL 78 3HG1 VAL 78 0.366 -15.121 -8.145 537 HG21 VAL 78 1HG2 VAL 78 1.177 -14.616 -11.984 538 HG22 VAL 78 2HG2 VAL 78 -0.532 -14.620 -11.548 539 HG23 VAL 78 3HG2 VAL 78 0.600 -13.594 -10.667 540 H LYS 79 H LYS 79 2.885 -15.679 -12.796 541 HA LYS 79 HA LYS 79 5.427 -15.137 -11.454 542 HB2 LYS 79 2HB LYS 79 4.570 -15.579 -14.255 543 HB3 LYS 79 3HB LYS 79 5.886 -14.436 -14.020 544 HG2 LYS 79 2HG LYS 79 6.888 -16.339 -12.541 545 HG3 LYS 79 3HG LYS 79 5.797 -17.363 -13.477 546 HD2 LYS 79 2HD LYS 79 7.395 -17.436 -15.033 547 HD3 LYS 79 3HD LYS 79 7.005 -15.749 -15.380 548 HE2 LYS 79 2HE LYS 79 8.727 -14.965 -13.955 549 HE3 LYS 79 3HE LYS 79 8.969 -16.563 -13.251 550 HZ1 LYS 79 1HZ LYS 79 9.333 -16.371 -16.127 551 HZ2 LYS 79 2HZ LYS 79 10.225 -17.232 -14.977 552 HZ3 LYS 79 3HZ LYS 79 10.492 -15.575 -15.185 553 H LYS 80 H LYS 80 6.544 -13.066 -12.421 554 HA LYS 80 HA LYS 80 5.280 -10.837 -11.356 555 HB2 LYS 80 2HB LYS 80 7.741 -11.129 -11.922 556 HB3 LYS 80 3HB LYS 80 7.317 -10.720 -13.579 557 HG2 LYS 80 2HG LYS 80 7.601 -8.591 -13.048 558 HG3 LYS 80 3HG LYS 80 6.173 -8.712 -12.017 559 HD2 LYS 80 2HD LYS 80 7.790 -7.917 -10.556 560 HD3 LYS 80 3HD LYS 80 7.826 -9.657 -10.258 561 HE2 LYS 80 2HE LYS 80 9.736 -9.852 -11.803 562 HE3 LYS 80 3HE LYS 80 9.716 -8.103 -12.024 563 HZ1 LYS 80 1HZ LYS 80 10.122 -9.461 -9.415 564 HZ2 LYS 80 2HZ LYS 80 10.233 -7.801 -9.717 565 HZ3 LYS 80 3HZ LYS 80 11.370 -8.859 -10.386 566 H ASP 81 H ASP 81 5.060 -12.224 -14.544 567 HA ASP 81 HA ASP 81 3.822 -9.939 -15.758 568 HB2 ASP 81 2HB ASP 81 4.414 -12.744 -16.577 569 HB3 ASP 81 3HB ASP 81 3.166 -11.873 -17.464 570 H SER 82 H SER 82 2.664 -13.074 -14.555 571 HA SER 82 HA SER 82 0.572 -13.846 -14.076 572 HB2 SER 82 2HB SER 82 0.914 -12.070 -12.319 573 HB3 SER 82 3HB SER 82 -0.005 -10.968 -13.345 574 HG SER 82 HG SER 82 -1.034 -12.472 -11.582 575 H VAL 83 H VAL 83 -0.057 -14.367 -16.188 576 HA VAL 83 HA VAL 83 -1.982 -12.479 -17.379 577 HB VAL 83 HB VAL 83 -0.055 -12.542 -18.824 578 HG11 VAL 83 1HG1 VAL 83 0.096 -15.249 -17.996 579 HG12 VAL 83 2HG1 VAL 83 -0.053 -15.227 -19.755 580 HG13 VAL 83 3HG1 VAL 83 1.247 -14.332 -18.968 581 HG21 VAL 83 1HG2 VAL 83 -2.287 -14.233 -19.948 582 HG22 VAL 83 2HG2 VAL 83 -2.242 -12.470 -19.904 583 HG23 VAL 83 3HG2 VAL 83 -1.083 -13.357 -20.893 584 H PHE 84 H PHE 84 -3.982 -13.244 -17.470 585 HA PHE 84 HA PHE 84 -4.374 -16.158 -17.636 586 HB2 PHE 84 2HB PHE 84 -6.591 -14.871 -16.323 587 HB3 PHE 84 3HB PHE 84 -5.561 -16.175 -15.740 588 HD1 PHE 84 HD1 PHE 84 -5.943 -12.512 -15.910 589 HD2 PHE 84 HD2 PHE 84 -3.865 -15.779 -14.143 590 HE1 PHE 84 HE1 PHE 84 -4.962 -10.985 -14.248 591 HE2 PHE 84 HE2 PHE 84 -2.882 -14.258 -12.478 592 HZ PHE 84 HZ PHE 84 -3.431 -11.858 -12.528 593 H VAL 85 H VAL 85 -5.827 -16.862 -19.102 594 HA VAL 85 HA VAL 85 -7.080 -14.838 -20.806 595 HB VAL 85 HB VAL 85 -6.897 -17.802 -21.333 596 HG11 VAL 85 1HG1 VAL 85 -8.573 -16.681 -22.657 597 HG12 VAL 85 2HG1 VAL 85 -7.419 -15.429 -23.119 598 HG13 VAL 85 3HG1 VAL 85 -7.196 -17.086 -23.682 599 HG21 VAL 85 1HG2 VAL 85 -4.670 -17.390 -21.367 600 HG22 VAL 85 2HG2 VAL 85 -5.047 -16.780 -22.978 601 HG23 VAL 85 3HG2 VAL 85 -4.881 -15.659 -21.626 602 H LEU 86 H LEU 86 -9.268 -14.842 -21.297 603 HA LEU 86 HA LEU 86 -10.948 -16.402 -19.450 604 HB2 LEU 86 2HB LEU 86 -11.020 -13.958 -19.156 605 HB3 LEU 86 3HB LEU 86 -11.563 -13.789 -20.824 606 HG LEU 86 HG LEU 86 -13.174 -15.440 -18.928 607 HD11 LEU 86 1HD1 LEU 86 -12.881 -12.471 -18.895 608 HD12 LEU 86 2HD1 LEU 86 -13.073 -13.598 -17.553 609 HD13 LEU 86 3HD1 LEU 86 -14.455 -13.198 -18.572 610 HD21 LEU 86 1HD2 LEU 86 -13.406 -14.590 -21.589 611 HD22 LEU 86 2HD2 LEU 86 -14.596 -13.661 -20.677 612 HD23 LEU 86 3HD2 LEU 86 -14.616 -15.425 -20.615 613 H VAL 87 H VAL 87 -12.525 -17.689 -20.230 614 HA VAL 87 HA VAL 87 -13.296 -17.476 -23.044 615 HB VAL 87 HB VAL 87 -12.442 -20.105 -21.829 616 HG11 VAL 87 1HG1 VAL 87 -12.547 -20.826 -24.240 617 HG12 VAL 87 2HG1 VAL 87 -14.102 -20.466 -23.488 618 HG13 VAL 87 3HG1 VAL 87 -13.358 -19.298 -24.581 619 HG21 VAL 87 1HG2 VAL 87 -10.987 -18.288 -23.745 620 HG22 VAL 87 2HG2 VAL 87 -10.477 -18.753 -22.122 621 HG23 VAL 87 3HG2 VAL 87 -10.526 -19.957 -23.409 622 H ARG 88 H ARG 88 -15.357 -18.195 -23.497 623 HA ARG 88 HA ARG 88 -17.106 -18.471 -21.213 624 HB2 ARG 88 2HB ARG 88 -17.873 -18.603 -24.128 625 HB3 ARG 88 3HB ARG 88 -18.909 -18.218 -22.761 626 HG2 ARG 88 2HG ARG 88 -17.660 -16.143 -22.404 627 HG3 ARG 88 3HG ARG 88 -16.639 -16.529 -23.790 628 HD2 ARG 88 2HD ARG 88 -19.522 -16.618 -24.328 629 HD3 ARG 88 3HD ARG 88 -18.905 -15.024 -23.893 630 HE ARG 88 HE ARG 88 -17.183 -16.065 -25.801 631 HH11 ARG 88 1HH1 ARG 88 -20.530 -15.134 -25.570 632 HH12 ARG 88 2HH1 ARG 88 -20.660 -14.699 -27.242 633 HH21 ARG 88 1HH2 ARG 88 -17.342 -15.496 -28.005 634 HH22 ARG 88 2HH2 ARG 88 -18.846 -14.907 -28.626 635 H LYS 89 H LYS 89 -17.398 -20.384 -20.290 636 HA LYS 89 HA LYS 89 -17.035 -22.833 -21.814 637 HB2 LYS 89 2HB LYS 89 -16.728 -22.062 -19.086 638 HB3 LYS 89 3HB LYS 89 -17.910 -23.361 -19.155 639 HG2 LYS 89 2HG LYS 89 -15.527 -23.822 -20.788 640 HG3 LYS 89 3HG LYS 89 -15.215 -23.699 -19.054 641 HD2 LYS 89 2HD LYS 89 -17.551 -25.324 -19.662 642 HD3 LYS 89 3HD LYS 89 -16.076 -25.951 -20.402 643 HE2 LYS 89 2HE LYS 89 -15.806 -26.942 -18.396 644 HE3 LYS 89 3HE LYS 89 -15.164 -25.366 -17.934 645 HZ1 LYS 89 1HZ LYS 89 -18.048 -25.794 -17.696 646 HZ2 LYS 89 2HZ LYS 89 -17.014 -24.857 -16.741 647 HZ3 LYS 89 3HZ LYS 89 -17.046 -26.538 -16.554 648 H ALA 90 H ALA 90 -19.593 -20.990 -20.289 649 HA ALA 90 HA ALA 90 -21.546 -22.894 -21.408 650 HB1 ALA 90 1HB ALA 90 -21.838 -23.266 -19.152 651 HB2 ALA 90 2HB ALA 90 -21.481 -21.593 -18.721 652 HB3 ALA 90 3HB ALA 90 -23.028 -22.002 -19.461 Start of MODEL 14 1 H1 MET 10 H MET 10 5.024 2.871 -3.423 2 HA MET 10 HA MET 10 3.129 0.741 -3.714 3 HB2 MET 10 2HB MET 10 5.867 1.301 -4.803 4 HB3 MET 10 3HB MET 10 5.146 -0.290 -5.006 5 HG2 MET 10 2HG MET 10 4.288 0.551 -6.880 6 HG3 MET 10 3HG MET 10 3.123 1.337 -5.817 7 HE1 MET 10 1HE MET 10 3.048 2.311 -8.214 8 HE2 MET 10 2HE MET 10 3.462 4.024 -8.284 9 HE3 MET 10 3HE MET 10 4.534 2.826 -9.011 10 H SER 11 H SER 11 2.953 -1.028 -2.513 11 HA SER 11 HA SER 11 5.304 -2.097 -1.145 12 HB2 SER 11 2HB SER 11 2.704 -1.711 0.341 13 HB3 SER 11 3HB SER 11 4.268 -2.190 0.999 14 HG SER 11 HG SER 11 3.274 0.286 0.583 15 H GLU 12 H GLU 12 5.446 -4.149 -1.733 16 HA GLU 12 HA GLU 12 4.898 -6.246 -2.436 17 HB2 GLU 12 2HB GLU 12 2.814 -5.655 -0.360 18 HB3 GLU 12 3HB GLU 12 2.788 -7.179 -1.235 19 HG2 GLU 12 2HG GLU 12 4.773 -7.903 -0.302 20 HG3 GLU 12 3HG GLU 12 5.292 -6.270 0.112 21 H THR 13 H THR 13 4.319 -4.638 -4.403 22 HA THR 13 HA THR 13 1.523 -4.962 -5.182 23 HB THR 13 HB THR 13 2.843 -3.752 -7.309 24 HG1 THR 13 HG1 THR 13 3.754 -2.489 -4.939 25 HG21 THR 13 1HG2 THR 13 1.277 -2.659 -4.982 26 HG22 THR 13 2HG2 THR 13 0.716 -2.995 -6.620 27 HG23 THR 13 3HG2 THR 13 1.808 -1.643 -6.321 28 H ILE 14 H ILE 14 0.868 -6.040 -7.050 29 HA ILE 14 HA ILE 14 2.881 -7.635 -8.462 30 HB ILE 14 HB ILE 14 0.316 -8.831 -7.413 31 HG12 ILE 14 2HG1 ILE 14 1.948 -8.307 -5.603 32 HG13 ILE 14 3HG1 ILE 14 1.659 -10.033 -5.798 33 HG21 ILE 14 1HG2 ILE 14 1.490 -10.966 -8.075 34 HG22 ILE 14 2HG2 ILE 14 0.959 -9.934 -9.402 35 HG23 ILE 14 3HG2 ILE 14 2.657 -9.955 -8.927 36 HD11 ILE 14 1HD1 ILE 14 3.908 -9.013 -7.361 37 HD12 ILE 14 2HD1 ILE 14 4.101 -8.867 -5.614 38 HD13 ILE 14 3HD1 ILE 14 3.785 -10.443 -6.337 39 HA PRO 15 HA PRO 15 0.250 -5.765 -11.631 40 HB2 PRO 15 2HB PRO 15 2.059 -6.099 -13.627 41 HB3 PRO 15 3HB PRO 15 2.141 -4.765 -12.471 42 HG2 PRO 15 2HG PRO 15 3.655 -7.347 -12.493 43 HG3 PRO 15 3HG PRO 15 4.241 -5.709 -12.149 44 HD2 PRO 15 2HD PRO 15 3.676 -7.495 -10.194 45 HD3 PRO 15 3HD PRO 15 3.453 -5.747 -9.983 46 H VAL 16 H VAL 16 -1.339 -6.950 -12.469 47 HA VAL 16 HA VAL 16 -0.674 -9.574 -13.640 48 HB VAL 16 HB VAL 16 -2.961 -10.302 -13.086 49 HG11 VAL 16 1HG1 VAL 16 -2.204 -11.107 -11.151 50 HG12 VAL 16 2HG1 VAL 16 -0.790 -10.076 -11.383 51 HG13 VAL 16 3HG1 VAL 16 -2.152 -9.504 -10.419 52 HG21 VAL 16 1HG2 VAL 16 -3.865 -7.932 -13.038 53 HG22 VAL 16 2HG2 VAL 16 -4.448 -9.019 -11.778 54 HG23 VAL 16 3HG2 VAL 16 -3.209 -7.821 -11.405 55 H SER 17 H SER 17 -1.838 -10.216 -15.505 56 HA SER 17 HA SER 17 -3.215 -8.028 -16.917 57 HB2 SER 17 2HB SER 17 -1.807 -9.911 -18.664 58 HB3 SER 17 3HB SER 17 -1.831 -8.148 -18.694 59 HG SER 17 HG SER 17 -0.298 -8.195 -16.979 60 H VAL 18 H VAL 18 -5.003 -8.570 -18.095 61 HA VAL 18 HA VAL 18 -5.767 -11.414 -18.150 62 HB VAL 18 HB VAL 18 -7.728 -9.173 -17.676 63 HG11 VAL 18 1HG1 VAL 18 -9.110 -10.829 -18.302 64 HG12 VAL 18 2HG1 VAL 18 -7.894 -12.080 -18.040 65 HG13 VAL 18 3HG1 VAL 18 -8.821 -11.451 -16.678 66 HG21 VAL 18 1HG2 VAL 18 -7.651 -10.550 -15.331 67 HG22 VAL 18 2HG2 VAL 18 -5.951 -10.560 -15.798 68 HG23 VAL 18 3HG2 VAL 18 -6.809 -9.029 -15.630 69 H GLN 19 H GLN 19 -6.706 -12.141 -19.998 70 HA GLN 19 HA GLN 19 -6.949 -10.195 -22.191 71 HB2 GLN 19 2HB GLN 19 -5.995 -13.000 -22.044 72 HB3 GLN 19 3HB GLN 19 -6.891 -12.548 -23.488 73 HG2 GLN 19 2HG GLN 19 -5.308 -10.636 -23.770 74 HG3 GLN 19 3HG GLN 19 -4.357 -11.311 -22.449 75 HE21 GLN 19 1HE2 GLN 19 -3.916 -10.916 -25.419 76 HE22 GLN 19 2HE2 GLN 19 -3.347 -12.453 -25.966 77 H CYS 20 H CYS 20 -8.814 -10.010 -23.319 78 HA CYS 20 HA CYS 20 -10.974 -11.917 -22.763 79 HB2 CYS 20 2HB CYS 20 -11.403 -8.928 -22.828 80 HB3 CYS 20 3HB CYS 20 -12.575 -10.169 -22.400 81 HG CYS 20 HG CYS 20 -9.914 -9.088 -20.558 82 H CYS 21 H CYS 21 -12.535 -12.123 -24.405 83 HA CYS 21 HA CYS 21 -11.552 -11.853 -27.031 84 HB2 CYS 21 2HB CYS 21 -13.311 -13.500 -26.094 85 HB3 CYS 21 3HB CYS 21 -14.468 -12.207 -26.386 86 HG CYS 21 HG CYS 21 -13.240 -12.165 -29.181 87 H GLU 22 H GLU 22 -13.319 -9.715 -24.996 88 HA GLU 22 HA GLU 22 -14.193 -8.050 -27.225 89 HB2 GLU 22 2HB GLU 22 -15.500 -8.587 -25.001 90 HB3 GLU 22 3HB GLU 22 -14.537 -7.262 -24.361 91 HG2 GLU 22 2HG GLU 22 -16.193 -5.963 -25.086 92 HG3 GLU 22 3HG GLU 22 -15.474 -6.189 -26.680 93 H GLY 23 H GLY 23 -11.662 -8.255 -24.893 94 HA2 GLY 23 2HA GLY 23 -10.029 -6.361 -26.102 95 HA3 GLY 23 3HA GLY 23 -10.907 -5.519 -24.834 96 H ARG 24 H ARG 24 -8.857 -5.139 -23.819 97 HA ARG 24 HA ARG 24 -7.928 -7.477 -22.292 98 HB2 ARG 24 2HB ARG 24 -5.640 -6.402 -22.334 99 HB3 ARG 24 3HB ARG 24 -6.192 -7.074 -23.862 100 HG2 ARG 24 2HG ARG 24 -6.700 -4.908 -24.718 101 HG3 ARG 24 3HG ARG 24 -6.420 -4.163 -23.142 102 HD2 ARG 24 2HD ARG 24 -4.349 -3.766 -23.883 103 HD3 ARG 24 3HD ARG 24 -4.063 -5.485 -23.611 104 HE ARG 24 HE ARG 24 -5.107 -5.368 -26.125 105 HH11 ARG 24 1HH1 ARG 24 -2.410 -3.863 -24.518 106 HH12 ARG 24 2HH1 ARG 24 -1.453 -3.741 -25.958 107 HH21 ARG 24 1HH2 ARG 24 -3.857 -5.213 -28.026 108 HH22 ARG 24 2HH2 ARG 24 -2.278 -4.509 -27.953 109 H PHE 25 H PHE 25 -7.342 -7.112 -20.154 110 HA PHE 25 HA PHE 25 -7.669 -4.405 -19.094 111 HB2 PHE 25 2HB PHE 25 -9.690 -6.317 -18.896 112 HB3 PHE 25 3HB PHE 25 -8.889 -6.364 -17.329 113 HD1 PHE 25 HD1 PHE 25 -10.218 -3.896 -19.787 114 HD2 PHE 25 HD2 PHE 25 -9.582 -4.901 -15.700 115 HE1 PHE 25 HE1 PHE 25 -11.449 -1.879 -19.103 116 HE2 PHE 25 HE2 PHE 25 -10.814 -2.886 -15.010 117 HZ PHE 25 HZ PHE 25 -11.750 -1.372 -16.712 118 H GLU 26 H GLU 26 -6.132 -3.914 -17.669 119 HA GLU 26 HA GLU 26 -4.680 -6.127 -16.371 120 HB2 GLU 26 2HB GLU 26 -2.654 -4.699 -16.461 121 HB3 GLU 26 3HB GLU 26 -3.256 -5.139 -18.053 122 HG2 GLU 26 2HG GLU 26 -4.338 -2.933 -18.224 123 HG3 GLU 26 3HG GLU 26 -3.639 -2.497 -16.665 124 H LEU 27 H LEU 27 -3.869 -5.741 -14.265 125 HA LEU 27 HA LEU 27 -4.496 -3.296 -12.885 126 HB2 LEU 27 2HB LEU 27 -6.441 -5.324 -12.949 127 HB3 LEU 27 3HB LEU 27 -5.712 -5.392 -11.346 128 HG LEU 27 HG LEU 27 -6.172 -2.821 -11.337 129 HD11 LEU 27 1HD1 LEU 27 -8.583 -2.857 -12.646 130 HD12 LEU 27 2HD1 LEU 27 -7.520 -3.719 -13.758 131 HD13 LEU 27 3HD1 LEU 27 -7.105 -2.090 -13.227 132 HD21 LEU 27 1HD2 LEU 27 -8.570 -4.612 -11.116 133 HD22 LEU 27 2HD2 LEU 27 -8.142 -3.207 -10.139 134 HD23 LEU 27 3HD2 LEU 27 -7.232 -4.709 -9.971 135 H SER 28 H SER 28 -3.951 -3.522 -10.491 136 HA SER 28 HA SER 28 -1.835 -5.524 -10.080 137 HB2 SER 28 2HB SER 28 -1.033 -3.218 -8.684 138 HB3 SER 28 3HB SER 28 -0.283 -3.907 -10.124 139 HG SER 28 HG SER 28 -2.186 -1.836 -9.933 140 H VAL 29 H VAL 29 -1.899 -6.528 -8.164 141 HA VAL 29 HA VAL 29 -3.282 -5.284 -5.911 142 HB VAL 29 HB VAL 29 -4.669 -7.192 -5.454 143 HG11 VAL 29 1HG1 VAL 29 -4.890 -6.262 -8.312 144 HG12 VAL 29 2HG1 VAL 29 -6.141 -7.181 -7.472 145 HG13 VAL 29 3HG1 VAL 29 -5.686 -5.577 -6.896 146 HG21 VAL 29 1HG2 VAL 29 -3.222 -8.428 -7.775 147 HG22 VAL 29 2HG2 VAL 29 -3.411 -9.047 -6.135 148 HG23 VAL 29 3HG2 VAL 29 -4.790 -9.029 -7.234 149 H ASP 30 H ASP 30 -2.726 -6.157 -3.876 150 HA ASP 30 HA ASP 30 -0.079 -7.298 -3.802 151 HB2 ASP 30 2HB ASP 30 -1.972 -6.527 -1.571 152 HB3 ASP 30 3HB ASP 30 -0.300 -7.032 -1.346 153 H SER 31 H SER 31 0.516 -9.308 -3.115 154 HA SER 31 HA SER 31 -1.526 -11.351 -3.221 155 HB2 SER 31 2HB SER 31 1.455 -11.301 -3.252 156 HB3 SER 31 3HB SER 31 0.664 -12.785 -2.719 157 HG SER 31 HG SER 31 0.700 -13.089 -4.835 158 H ASN 32 H ASN 32 -2.392 -12.421 -1.552 159 HA ASN 32 HA ASN 32 -1.191 -12.992 0.889 160 HB2 ASN 32 2HB ASN 32 -2.780 -11.314 2.214 161 HB3 ASN 32 3HB ASN 32 -1.151 -10.858 1.725 162 HD21 ASN 32 1HD2 ASN 32 -4.449 -10.897 0.414 163 HD22 ASN 32 2HD2 ASN 32 -4.350 -9.343 -0.336 164 H HIS 33 H HIS 33 -4.142 -12.267 -0.853 165 HA HIS 33 HA HIS 33 -5.611 -14.198 0.802 166 HB2 HIS 33 2HB HIS 33 -6.330 -11.694 -0.267 167 HB3 HIS 33 3HB HIS 33 -7.244 -12.890 -1.182 168 HD1 HIS 33 HD1 HIS 33 -7.239 -11.072 1.964 169 HD2 HIS 33 HD2 HIS 33 -8.848 -14.632 0.549 170 HE1 HIS 33 HE1 HIS 33 -9.037 -11.698 3.608 171 H THR 34 H THR 34 -7.329 -15.440 -0.533 172 HA THR 34 HA THR 34 -5.903 -17.054 -2.416 173 HB THR 34 HB THR 34 -7.849 -18.444 -2.508 174 HG1 THR 34 HG1 THR 34 -9.760 -17.543 -1.222 175 HG21 THR 34 1HG2 THR 34 -7.540 -17.305 0.273 176 HG22 THR 34 2HG2 THR 34 -6.584 -18.607 -0.434 177 HG23 THR 34 3HG2 THR 34 -8.302 -18.845 -0.119 178 H LEU 35 H LEU 35 -7.110 -17.716 -4.504 179 HA LEU 35 HA LEU 35 -7.040 -15.625 -6.308 180 HB2 LEU 35 2HB LEU 35 -7.086 -18.198 -6.657 181 HB3 LEU 35 3HB LEU 35 -8.831 -17.978 -6.764 182 HG LEU 35 HG LEU 35 -8.084 -16.157 -8.565 183 HD11 LEU 35 1HD1 LEU 35 -5.685 -17.637 -8.024 184 HD12 LEU 35 2HD1 LEU 35 -5.932 -16.251 -9.086 185 HD13 LEU 35 3HD1 LEU 35 -6.195 -17.885 -9.694 186 HD21 LEU 35 1HD2 LEU 35 -8.538 -19.104 -8.827 187 HD22 LEU 35 2HD2 LEU 35 -8.229 -18.112 -10.253 188 HD23 LEU 35 3HD2 LEU 35 -9.618 -17.766 -9.222 189 H ARG 36 H ARG 36 -9.654 -16.703 -4.282 190 HA ARG 36 HA ARG 36 -11.868 -15.661 -5.563 191 HB2 ARG 36 2HB ARG 36 -11.155 -16.358 -2.808 192 HB3 ARG 36 3HB ARG 36 -12.385 -15.106 -2.919 193 HG2 ARG 36 2HG ARG 36 -13.365 -16.857 -4.700 194 HG3 ARG 36 3HG ARG 36 -12.519 -17.964 -3.617 195 HD2 ARG 36 2HD ARG 36 -14.136 -15.892 -2.294 196 HD3 ARG 36 3HD ARG 36 -15.048 -17.077 -3.229 197 HE ARG 36 HE ARG 36 -13.673 -17.517 -0.752 198 HH11 ARG 36 1HH1 ARG 36 -14.798 -19.018 -3.685 199 HH12 ARG 36 2HH1 ARG 36 -14.892 -20.603 -2.991 200 HH21 ARG 36 1HH2 ARG 36 -13.794 -19.598 0.173 201 HH22 ARG 36 2HH2 ARG 36 -14.322 -20.932 -0.797 202 H ASP 37 H ASP 37 -9.335 -14.003 -3.828 203 HA ASP 37 HA ASP 37 -10.710 -11.502 -3.621 204 HB2 ASP 37 2HB ASP 37 -8.865 -12.156 -2.098 205 HB3 ASP 37 3HB ASP 37 -7.743 -12.067 -3.452 206 H VAL 38 H VAL 38 -8.181 -12.776 -5.767 207 HA VAL 38 HA VAL 38 -7.877 -10.453 -7.327 208 HB VAL 38 HB VAL 38 -7.429 -13.311 -8.199 209 HG11 VAL 38 1HG1 VAL 38 -6.694 -10.652 -9.332 210 HG12 VAL 38 2HG1 VAL 38 -5.607 -12.022 -9.566 211 HG13 VAL 38 3HG1 VAL 38 -7.269 -12.104 -10.150 212 HG21 VAL 38 1HG2 VAL 38 -4.973 -12.315 -7.606 213 HG22 VAL 38 2HG2 VAL 38 -5.962 -11.552 -6.362 214 HG23 VAL 38 3HG2 VAL 38 -5.939 -13.309 -6.515 215 H LEU 39 H LEU 39 -10.027 -13.234 -7.621 216 HA LEU 39 HA LEU 39 -11.072 -12.523 -10.168 217 HB2 LEU 39 2HB LEU 39 -11.545 -14.553 -8.139 218 HB3 LEU 39 3HB LEU 39 -13.030 -14.018 -8.923 219 HG LEU 39 HG LEU 39 -10.606 -15.147 -10.323 220 HD11 LEU 39 1HD1 LEU 39 -11.581 -17.177 -10.316 221 HD12 LEU 39 2HD1 LEU 39 -13.212 -16.516 -10.417 222 HD13 LEU 39 3HD1 LEU 39 -12.374 -16.561 -8.866 223 HD21 LEU 39 1HD2 LEU 39 -11.443 -14.320 -12.202 224 HD22 LEU 39 2HD2 LEU 39 -12.724 -13.525 -11.286 225 HD23 LEU 39 3HD2 LEU 39 -12.966 -15.160 -11.905 226 H ARG 40 H ARG 40 -11.996 -11.818 -6.850 227 HA ARG 40 HA ARG 40 -14.540 -10.748 -7.338 228 HB2 ARG 40 2HB ARG 40 -13.742 -11.306 -5.091 229 HB3 ARG 40 3HB ARG 40 -12.549 -10.018 -5.184 230 HG2 ARG 40 2HG ARG 40 -14.362 -8.369 -5.333 231 HG3 ARG 40 3HG ARG 40 -15.540 -9.675 -5.187 232 HD2 ARG 40 2HD ARG 40 -14.592 -10.258 -2.994 233 HD3 ARG 40 3HD ARG 40 -13.454 -8.920 -3.143 234 HE ARG 40 HE ARG 40 -16.179 -8.762 -2.336 235 HH11 ARG 40 1HH1 ARG 40 -13.672 -7.045 -4.036 236 HH12 ARG 40 2HH1 ARG 40 -14.343 -5.481 -3.712 237 HH21 ARG 40 1HH2 ARG 40 -17.072 -6.708 -1.903 238 HH22 ARG 40 2HH2 ARG 40 -16.276 -5.290 -2.498 239 H GLN 41 H GLN 41 -11.356 -9.183 -7.214 240 HA GLN 41 HA GLN 41 -12.368 -6.575 -7.766 241 HB2 GLN 41 2HB GLN 41 -9.989 -7.553 -6.842 242 HB3 GLN 41 3HB GLN 41 -9.568 -7.109 -8.490 243 HG2 GLN 41 2HG GLN 41 -9.746 -4.903 -8.088 244 HG3 GLN 41 3HG GLN 41 -11.104 -5.104 -6.982 245 HE21 GLN 41 1HE2 GLN 41 -7.887 -6.557 -6.887 246 HE22 GLN 41 2HE2 GLN 41 -7.432 -5.883 -5.363 247 H PHE 42 H PHE 42 -10.804 -9.079 -9.731 248 HA PHE 42 HA PHE 42 -10.668 -7.642 -12.129 249 HB2 PHE 42 2HB PHE 42 -9.414 -9.623 -12.067 250 HB3 PHE 42 3HB PHE 42 -10.777 -10.576 -11.490 251 HD1 PHE 42 HD1 PHE 42 -9.872 -8.476 -14.440 252 HD2 PHE 42 HD2 PHE 42 -11.756 -12.005 -12.986 253 HE1 PHE 42 HE1 PHE 42 -10.364 -9.161 -16.751 254 HE2 PHE 42 HE2 PHE 42 -12.251 -12.696 -15.295 255 HZ PHE 42 HZ PHE 42 -11.554 -11.274 -17.181 256 H LYS 43 H LYS 43 -13.193 -9.800 -10.880 257 HA LYS 43 HA LYS 43 -14.898 -9.580 -13.129 258 HB2 LYS 43 2HB LYS 43 -15.199 -11.432 -11.651 259 HB3 LYS 43 3HB LYS 43 -15.406 -10.373 -10.262 260 HG2 LYS 43 2HG LYS 43 -17.326 -10.067 -12.494 261 HG3 LYS 43 3HG LYS 43 -17.450 -11.525 -11.506 262 HD2 LYS 43 2HD LYS 43 -17.098 -9.308 -9.765 263 HD3 LYS 43 3HD LYS 43 -18.367 -8.897 -10.921 264 HE2 LYS 43 2HE LYS 43 -19.651 -10.796 -10.320 265 HE3 LYS 43 3HE LYS 43 -18.313 -11.502 -9.416 266 HZ1 LYS 43 1HZ LYS 43 -18.764 -10.262 -7.621 267 HZ2 LYS 43 2HZ LYS 43 -20.301 -10.101 -8.307 268 HZ3 LYS 43 3HZ LYS 43 -19.149 -8.881 -8.518 269 H ARG 44 H ARG 44 -14.496 -7.676 -10.218 270 HA ARG 44 HA ARG 44 -16.895 -6.142 -10.603 271 HB2 ARG 44 2HB ARG 44 -15.974 -6.478 -8.361 272 HB3 ARG 44 3HB ARG 44 -14.497 -5.647 -8.830 273 HG2 ARG 44 2HG ARG 44 -16.909 -4.073 -9.288 274 HG3 ARG 44 3HG ARG 44 -16.649 -4.503 -7.596 275 HD2 ARG 44 2HD ARG 44 -14.710 -3.298 -7.446 276 HD3 ARG 44 3HD ARG 44 -14.332 -3.490 -9.158 277 HE ARG 44 HE ARG 44 -15.449 -1.542 -9.573 278 HH11 ARG 44 1HH1 ARG 44 -16.412 -2.745 -6.451 279 HH12 ARG 44 2HH1 ARG 44 -17.344 -1.340 -6.053 280 HH21 ARG 44 1HH2 ARG 44 -16.673 0.313 -9.060 281 HH22 ARG 44 2HH2 ARG 44 -17.493 0.399 -7.538 282 H GLU 45 H GLU 45 -13.616 -5.971 -11.683 283 HA GLU 45 HA GLU 45 -13.915 -3.196 -12.549 284 HB2 GLU 45 2HB GLU 45 -11.546 -5.070 -12.671 285 HB3 GLU 45 3HB GLU 45 -11.530 -3.398 -13.214 286 HG2 GLU 45 2HG GLU 45 -12.307 -4.080 -10.410 287 HG3 GLU 45 3HG GLU 45 -10.611 -3.971 -10.878 288 H VAL 46 H VAL 46 -14.373 -6.325 -13.726 289 HA VAL 46 HA VAL 46 -13.970 -5.527 -16.519 290 HB VAL 46 HB VAL 46 -13.121 -7.762 -15.529 291 HG11 VAL 46 1HG1 VAL 46 -15.832 -8.789 -16.236 292 HG12 VAL 46 2HG1 VAL 46 -14.583 -9.513 -15.221 293 HG13 VAL 46 3HG1 VAL 46 -15.539 -8.159 -14.616 294 HG21 VAL 46 1HG2 VAL 46 -14.360 -8.758 -17.836 295 HG22 VAL 46 2HG2 VAL 46 -14.152 -7.028 -18.110 296 HG23 VAL 46 3HG2 VAL 46 -12.759 -8.031 -17.707 297 H ALA 47 H ALA 47 -16.436 -6.233 -14.190 298 HA ALA 47 HA ALA 47 -18.579 -6.826 -15.903 299 HB1 ALA 47 1HB ALA 47 -18.618 -5.488 -13.200 300 HB2 ALA 47 2HB ALA 47 -20.019 -6.174 -14.023 301 HB3 ALA 47 3HB ALA 47 -18.697 -7.223 -13.512 302 H ALA 48 H ALA 48 -16.893 -3.909 -15.371 303 HA ALA 48 HA ALA 48 -18.955 -2.043 -15.895 304 HB1 ALA 48 1HB ALA 48 -15.972 -1.812 -16.265 305 HB2 ALA 48 2HB ALA 48 -17.109 -0.466 -16.361 306 HB3 ALA 48 3HB ALA 48 -16.902 -1.340 -14.843 307 H LEU 49 H LEU 49 -16.900 -3.980 -17.946 308 HA LEU 49 HA LEU 49 -18.094 -2.702 -20.316 309 HB2 LEU 49 2HB LEU 49 -15.535 -4.281 -20.108 310 HB3 LEU 49 3HB LEU 49 -16.178 -3.549 -21.576 311 HG LEU 49 HG LEU 49 -14.500 -2.083 -20.919 312 HD11 LEU 49 1HD1 LEU 49 -16.925 -1.126 -21.143 313 HD12 LEU 49 2HD1 LEU 49 -15.598 -0.091 -20.617 314 HD13 LEU 49 3HD1 LEU 49 -16.718 -0.761 -19.430 315 HD21 LEU 49 1HD2 LEU 49 -14.948 -3.173 -18.354 316 HD22 LEU 49 2HD2 LEU 49 -15.120 -1.424 -18.213 317 HD23 LEU 49 3HD2 LEU 49 -13.638 -2.114 -18.876 318 H ASP 50 H ASP 50 -17.710 -5.633 -18.541 319 HA ASP 50 HA ASP 50 -18.860 -7.218 -20.723 320 HB2 ASP 50 2HB ASP 50 -16.837 -8.074 -19.529 321 HB3 ASP 50 3HB ASP 50 -17.799 -8.174 -18.057 322 HA PRO 51 HA PRO 51 -22.736 -6.469 -18.531 323 HB2 PRO 51 2HB PRO 51 -24.305 -7.311 -20.580 324 HB3 PRO 51 3HB PRO 51 -23.591 -5.696 -20.519 325 HG2 PRO 51 2HG PRO 51 -22.666 -8.121 -22.011 326 HG3 PRO 51 3HG PRO 51 -22.747 -6.436 -22.556 327 HD2 PRO 51 2HD PRO 51 -20.440 -7.592 -21.735 328 HD3 PRO 51 3HD PRO 51 -20.781 -5.866 -21.495 329 H ILE 52 H ILE 52 -21.523 -9.363 -20.055 330 HA ILE 52 HA ILE 52 -23.570 -11.117 -19.121 331 HB ILE 52 HB ILE 52 -20.749 -11.803 -19.955 332 HG12 ILE 52 2HG1 ILE 52 -23.270 -11.870 -21.622 333 HG13 ILE 52 3HG1 ILE 52 -22.109 -10.548 -21.662 334 HG21 ILE 52 1HG2 ILE 52 -23.046 -13.385 -19.081 335 HG22 ILE 52 2HG2 ILE 52 -22.346 -13.922 -20.607 336 HG23 ILE 52 3HG2 ILE 52 -21.338 -13.814 -19.164 337 HD11 ILE 52 1HD1 ILE 52 -20.395 -12.407 -22.211 338 HD12 ILE 52 2HD1 ILE 52 -21.822 -13.346 -22.649 339 HD13 ILE 52 3HD1 ILE 52 -21.483 -11.823 -23.470 340 H ASN 53 H ASN 53 -23.543 -12.549 -17.394 341 HA ASN 53 HA ASN 53 -22.295 -11.632 -15.026 342 HB2 ASN 53 2HB ASN 53 -24.141 -13.782 -15.787 343 HB3 ASN 53 3HB ASN 53 -23.088 -14.197 -14.438 344 HD21 ASN 53 1HD2 ASN 53 -25.242 -14.255 -13.376 345 HD22 ASN 53 2HD2 ASN 53 -25.830 -12.787 -12.680 346 H LEU 54 H LEU 54 -20.713 -12.650 -13.728 347 HA LEU 54 HA LEU 54 -18.498 -13.675 -15.175 348 HB2 LEU 54 2HB LEU 54 -18.202 -12.334 -13.179 349 HB3 LEU 54 3HB LEU 54 -19.032 -13.551 -12.211 350 HG LEU 54 HG LEU 54 -17.076 -15.093 -13.052 351 HD11 LEU 54 1HD1 LEU 54 -15.560 -14.044 -14.291 352 HD12 LEU 54 2HD1 LEU 54 -15.103 -13.148 -12.843 353 HD13 LEU 54 3HD1 LEU 54 -16.283 -12.469 -13.964 354 HD21 LEU 54 1HD2 LEU 54 -17.678 -13.838 -10.716 355 HD22 LEU 54 2HD2 LEU 54 -16.056 -13.223 -11.035 356 HD23 LEU 54 3HD2 LEU 54 -16.337 -14.962 -10.937 357 H GLU 55 H GLU 55 -21.150 -15.141 -13.489 358 HA GLU 55 HA GLU 55 -19.936 -17.725 -13.214 359 HB2 GLU 55 2HB GLU 55 -22.009 -16.584 -11.973 360 HB3 GLU 55 3HB GLU 55 -22.896 -17.432 -13.232 361 HG2 GLU 55 2HG GLU 55 -21.933 -19.541 -12.529 362 HG3 GLU 55 3HG GLU 55 -20.971 -18.713 -11.306 363 H GLU 56 H GLU 56 -21.191 -16.022 -15.814 364 HA GLU 56 HA GLU 56 -22.248 -18.306 -17.244 365 HB2 GLU 56 2HB GLU 56 -21.758 -15.451 -18.105 366 HB3 GLU 56 3HB GLU 56 -22.509 -16.678 -19.115 367 HG2 GLU 56 2HG GLU 56 -23.610 -15.892 -16.436 368 HG3 GLU 56 3HG GLU 56 -24.061 -15.078 -17.933 369 H TYR 57 H TYR 57 -19.284 -16.477 -17.069 370 HA TYR 57 HA TYR 57 -18.106 -18.288 -19.073 371 HB2 TYR 57 2HB TYR 57 -16.601 -16.483 -19.751 372 HB3 TYR 57 3HB TYR 57 -18.281 -16.003 -19.962 373 HD1 TYR 57 HD1 TYR 57 -15.335 -15.622 -17.743 374 HD2 TYR 57 HD2 TYR 57 -19.139 -14.091 -18.879 375 HE1 TYR 57 HE1 TYR 57 -14.922 -13.609 -16.392 376 HE2 TYR 57 HE2 TYR 57 -18.735 -12.073 -17.532 377 HH TYR 57 HH TYR 57 -17.114 -10.870 -16.459 378 H VAL 58 H VAL 58 -15.652 -18.381 -18.838 379 HA VAL 58 HA VAL 58 -14.815 -18.194 -16.030 380 HB VAL 58 HB VAL 58 -13.694 -20.411 -16.229 381 HG11 VAL 58 1HG1 VAL 58 -15.493 -20.877 -14.989 382 HG12 VAL 58 2HG1 VAL 58 -16.556 -19.907 -16.011 383 HG13 VAL 58 3HG1 VAL 58 -16.175 -21.570 -16.460 384 HG21 VAL 58 1HG2 VAL 58 -15.476 -21.224 -18.435 385 HG22 VAL 58 2HG2 VAL 58 -14.108 -20.204 -18.881 386 HG23 VAL 58 3HG2 VAL 58 -13.832 -21.737 -18.055 387 H VAL 59 H VAL 59 -12.540 -18.092 -15.710 388 HA VAL 59 HA VAL 59 -10.969 -17.547 -18.140 389 HB VAL 59 HB VAL 59 -11.619 -15.415 -17.071 390 HG11 VAL 59 1HG1 VAL 59 -11.226 -14.883 -14.889 391 HG12 VAL 59 2HG1 VAL 59 -11.457 -16.624 -14.719 392 HG13 VAL 59 3HG1 VAL 59 -9.827 -15.950 -14.764 393 HG21 VAL 59 1HG2 VAL 59 -9.700 -14.957 -18.159 394 HG22 VAL 59 2HG2 VAL 59 -9.035 -14.819 -16.532 395 HG23 VAL 59 3HG2 VAL 59 -8.843 -16.319 -17.438 396 H ASN 60 H ASN 60 -9.025 -18.500 -18.214 397 HA ASN 60 HA ASN 60 -8.177 -20.039 -15.872 398 HB2 ASN 60 2HB ASN 60 -6.824 -21.343 -17.406 399 HB3 ASN 60 3HB ASN 60 -8.464 -21.225 -18.038 400 HD21 ASN 60 1HD2 ASN 60 -6.248 -21.882 -19.593 401 HD22 ASN 60 2HD2 ASN 60 -5.989 -20.620 -20.744 402 H HIS 61 H HIS 61 -6.132 -19.875 -14.989 403 HA HIS 61 HA HIS 61 -4.617 -17.477 -15.781 404 HB2 HIS 61 2HB HIS 61 -3.680 -17.676 -13.402 405 HB3 HIS 61 3HB HIS 61 -5.350 -17.142 -13.568 406 HD1 HIS 61 HD1 HIS 61 -7.162 -18.623 -12.576 407 HD2 HIS 61 HD2 HIS 61 -3.370 -20.307 -12.368 408 HE1 HIS 61 HE1 HIS 61 -7.398 -20.626 -11.074 409 H GLU 62 H GLU 62 -2.758 -17.846 -16.776 410 HA GLU 62 HA GLU 62 -0.873 -18.872 -17.533 411 HB2 GLU 62 2HB GLU 62 -0.579 -18.643 -14.891 412 HB3 GLU 62 3HB GLU 62 -0.561 -20.398 -14.998 413 HG2 GLU 62 2HG GLU 62 1.244 -20.152 -16.740 414 HG3 GLU 62 3HG GLU 62 1.323 -18.450 -16.289 415 H GLY 63 H GLY 63 -3.403 -20.211 -17.981 416 HA2 GLY 63 2HA GLY 63 -3.951 -22.147 -19.138 417 HA3 GLY 63 3HA GLY 63 -2.352 -22.781 -18.774 418 H LYS 64 H LYS 64 -3.977 -21.606 -16.043 419 HA LYS 64 HA LYS 64 -4.859 -24.329 -15.339 420 HB2 LYS 64 2HB LYS 64 -3.014 -22.526 -13.981 421 HB3 LYS 64 3HB LYS 64 -4.324 -23.054 -12.933 422 HG2 LYS 64 2HG LYS 64 -2.917 -24.765 -12.534 423 HG3 LYS 64 3HG LYS 64 -3.647 -25.412 -14.005 424 HD2 LYS 64 2HD LYS 64 -1.773 -24.237 -15.264 425 HD3 LYS 64 3HD LYS 64 -1.002 -24.014 -13.691 426 HE2 LYS 64 2HE LYS 64 -0.444 -26.194 -13.512 427 HE3 LYS 64 3HE LYS 64 -1.934 -26.746 -14.275 428 HZ1 LYS 64 1HZ LYS 64 0.516 -25.746 -15.609 429 HZ2 LYS 64 2HZ LYS 64 -0.952 -25.956 -16.422 430 HZ3 LYS 64 3HZ LYS 64 -0.172 -27.287 -15.728 431 H LEU 65 H LEU 65 -6.944 -24.496 -14.859 432 HA LEU 65 HA LEU 65 -8.406 -22.050 -14.110 433 HB2 LEU 65 2HB LEU 65 -10.399 -23.565 -14.915 434 HB3 LEU 65 3HB LEU 65 -9.433 -22.629 -16.054 435 HG LEU 65 HG LEU 65 -8.655 -25.453 -15.506 436 HD11 LEU 65 1HD1 LEU 65 -10.548 -25.090 -17.715 437 HD12 LEU 65 2HD1 LEU 65 -11.255 -24.964 -16.105 438 HD13 LEU 65 3HD1 LEU 65 -10.375 -26.420 -16.570 439 HD21 LEU 65 1HD2 LEU 65 -8.275 -25.203 -18.059 440 HD22 LEU 65 2HD2 LEU 65 -7.163 -24.418 -16.938 441 HD23 LEU 65 3HD2 LEU 65 -8.422 -23.476 -17.737 442 H LEU 66 H LEU 66 -8.916 -21.991 -12.031 443 HA LEU 66 HA LEU 66 -9.099 -24.441 -10.483 444 HB2 LEU 66 2HB LEU 66 -8.748 -21.579 -9.924 445 HB3 LEU 66 3HB LEU 66 -9.727 -22.449 -8.745 446 HG LEU 66 HG LEU 66 -7.325 -22.260 -8.135 447 HD11 LEU 66 1HD1 LEU 66 -7.662 -25.153 -8.508 448 HD12 LEU 66 2HD1 LEU 66 -9.031 -24.330 -7.760 449 HD13 LEU 66 3HD1 LEU 66 -7.428 -24.213 -7.034 450 HD21 LEU 66 1HD2 LEU 66 -6.437 -24.387 -9.892 451 HD22 LEU 66 2HD2 LEU 66 -5.675 -22.842 -9.513 452 HD23 LEU 66 3HD2 LEU 66 -6.893 -22.936 -10.786 453 H LEU 67 H LEU 67 -10.912 -24.909 -9.099 454 HA LEU 67 HA LEU 67 -13.456 -23.829 -10.123 455 HB2 LEU 67 2HB LEU 67 -12.521 -26.588 -9.753 456 HB3 LEU 67 3HB LEU 67 -14.137 -26.267 -9.126 457 HG LEU 67 HG LEU 67 -13.350 -25.596 -11.950 458 HD11 LEU 67 1HD1 LEU 67 -12.954 -27.978 -11.609 459 HD12 LEU 67 2HD1 LEU 67 -14.364 -27.706 -12.632 460 HD13 LEU 67 3HD1 LEU 67 -14.576 -28.159 -10.941 461 HD21 LEU 67 1HD2 LEU 67 -16.090 -26.336 -11.088 462 HD22 LEU 67 2HD2 LEU 67 -15.558 -25.181 -12.310 463 HD23 LEU 67 3HD2 LEU 67 -15.475 -24.756 -10.600 464 H ASP 68 H ASP 68 -11.450 -24.090 -7.481 465 HA ASP 68 HA ASP 68 -13.696 -23.793 -5.596 466 HB2 ASP 68 2HB ASP 68 -11.615 -24.252 -3.951 467 HB3 ASP 68 3HB ASP 68 -12.611 -25.540 -4.623 468 H ASP 69 H ASP 69 -10.882 -22.331 -6.948 469 HA ASP 69 HA ASP 69 -9.872 -20.311 -6.658 470 HB2 ASP 69 2HB ASP 69 -12.384 -19.272 -5.392 471 HB3 ASP 69 3HB ASP 69 -11.294 -18.472 -6.520 472 H SER 70 H SER 70 -9.822 -22.263 -4.436 473 HA SER 70 HA SER 70 -9.733 -20.563 -2.068 474 HB2 SER 70 2HB SER 70 -10.733 -22.874 -2.000 475 HB3 SER 70 3HB SER 70 -9.112 -23.518 -2.266 476 HG SER 70 HG SER 70 -8.467 -22.619 -0.319 477 H VAL 71 H VAL 71 -7.630 -21.989 -4.403 478 HA VAL 71 HA VAL 71 -5.240 -21.860 -2.827 479 HB VAL 71 HB VAL 71 -4.046 -22.368 -4.866 480 HG11 VAL 71 1HG1 VAL 71 -5.264 -24.184 -3.719 481 HG12 VAL 71 2HG1 VAL 71 -6.633 -23.918 -4.801 482 HG13 VAL 71 3HG1 VAL 71 -5.088 -24.468 -5.451 483 HG21 VAL 71 1HG2 VAL 71 -4.980 -21.025 -6.524 484 HG22 VAL 71 2HG2 VAL 71 -5.480 -22.651 -6.991 485 HG23 VAL 71 3HG2 VAL 71 -6.620 -21.576 -6.183 486 H THR 72 H THR 72 -3.582 -20.358 -2.921 487 HA THR 72 HA THR 72 -4.402 -17.669 -3.584 488 HB THR 72 HB THR 72 -2.533 -16.909 -2.401 489 HG1 THR 72 HG1 THR 72 -0.726 -18.301 -1.972 490 HG21 THR 72 1HG2 THR 72 -4.223 -18.581 -1.174 491 HG22 THR 72 2HG2 THR 72 -2.882 -17.802 -0.336 492 HG23 THR 72 3HG2 THR 72 -2.720 -19.462 -0.907 493 H LEU 73 H LEU 73 -2.411 -16.290 -4.507 494 HA LEU 73 HA LEU 73 -2.215 -16.976 -7.232 495 HB2 LEU 73 2HB LEU 73 -1.034 -14.889 -5.475 496 HB3 LEU 73 3HB LEU 73 -0.309 -15.148 -7.061 497 HG LEU 73 HG LEU 73 -2.875 -14.907 -7.794 498 HD11 LEU 73 1HD1 LEU 73 -2.741 -13.898 -5.068 499 HD12 LEU 73 2HD1 LEU 73 -4.141 -14.262 -6.076 500 HD13 LEU 73 3HD1 LEU 73 -3.335 -12.700 -6.219 501 HD21 LEU 73 1HD2 LEU 73 -2.196 -12.987 -8.775 502 HD22 LEU 73 2HD2 LEU 73 -0.616 -13.520 -8.201 503 HD23 LEU 73 3HD2 LEU 73 -1.532 -12.327 -7.280 504 H GLN 74 H GLN 74 0.186 -17.071 -4.612 505 HA GLN 74 HA GLN 74 2.234 -18.180 -6.268 506 HB2 GLN 74 2HB GLN 74 2.222 -16.928 -3.848 507 HB3 GLN 74 3HB GLN 74 2.440 -18.603 -3.359 508 HG2 GLN 74 2HG GLN 74 4.146 -17.502 -5.534 509 HG3 GLN 74 3HG GLN 74 4.492 -17.063 -3.862 510 HE21 GLN 74 1HE2 GLN 74 5.326 -18.573 -2.483 511 HE22 GLN 74 2HE2 GLN 74 5.856 -20.136 -2.992 512 H THR 75 H THR 75 -0.307 -19.470 -4.273 513 HA THR 75 HA THR 75 0.633 -22.058 -3.834 514 HB THR 75 HB THR 75 -2.214 -21.137 -4.268 515 HG1 THR 75 HG1 THR 75 -0.715 -21.605 -1.885 516 HG21 THR 75 1HG2 THR 75 -2.114 -23.523 -4.588 517 HG22 THR 75 2HG2 THR 75 -2.806 -23.198 -2.999 518 HG23 THR 75 3HG2 THR 75 -1.127 -23.717 -3.140 519 H VAL 76 H VAL 76 -1.411 -20.853 -6.495 520 HA VAL 76 HA VAL 76 -1.381 -23.332 -7.904 521 HB VAL 76 HB VAL 76 -3.219 -21.805 -8.248 522 HG11 VAL 76 1HG1 VAL 76 -1.120 -19.901 -9.275 523 HG12 VAL 76 2HG1 VAL 76 -2.857 -19.671 -9.489 524 HG13 VAL 76 3HG1 VAL 76 -2.162 -19.690 -7.868 525 HG21 VAL 76 1HG2 VAL 76 -1.946 -23.168 -10.215 526 HG22 VAL 76 2HG2 VAL 76 -3.488 -22.338 -10.419 527 HG23 VAL 76 3HG2 VAL 76 -1.990 -21.545 -10.904 528 H GLY 77 H GLY 77 0.708 -20.569 -7.793 529 HA2 GLY 77 2HA GLY 77 2.976 -20.750 -8.545 530 HA3 GLY 77 3HA GLY 77 2.435 -21.863 -9.793 531 H VAL 78 H VAL 78 0.948 -18.771 -8.982 532 HA VAL 78 HA VAL 78 0.885 -17.939 -11.691 533 HB VAL 78 HB VAL 78 0.445 -16.349 -9.161 534 HG11 VAL 78 1HG1 VAL 78 -0.892 -14.914 -10.894 535 HG12 VAL 78 2HG1 VAL 78 0.844 -14.675 -10.689 536 HG13 VAL 78 3HG1 VAL 78 0.238 -15.622 -12.047 537 HG21 VAL 78 1HG2 VAL 78 -1.519 -17.378 -9.061 538 HG22 VAL 78 2HG2 VAL 78 -1.925 -16.741 -10.654 539 HG23 VAL 78 3HG2 VAL 78 -1.128 -18.307 -10.509 540 H LYS 79 H LYS 79 2.334 -16.876 -12.876 541 HA LYS 79 HA LYS 79 4.929 -16.309 -11.834 542 HB2 LYS 79 2HB LYS 79 3.622 -16.343 -14.450 543 HB3 LYS 79 3HB LYS 79 4.810 -15.056 -14.292 544 HG2 LYS 79 2HG LYS 79 6.377 -16.896 -13.416 545 HG3 LYS 79 3HG LYS 79 5.209 -18.017 -14.121 546 HD2 LYS 79 2HD LYS 79 6.772 -17.704 -15.825 547 HD3 LYS 79 3HD LYS 79 5.460 -16.605 -16.258 548 HE2 LYS 79 2HE LYS 79 6.981 -14.983 -16.353 549 HE3 LYS 79 3HE LYS 79 7.114 -15.106 -14.600 550 HZ1 LYS 79 1HZ LYS 79 9.017 -16.352 -14.740 551 HZ2 LYS 79 2HZ LYS 79 9.212 -15.342 -16.082 552 HZ3 LYS 79 3HZ LYS 79 8.675 -16.932 -16.292 553 H LYS 80 H LYS 80 6.008 -14.188 -12.105 554 HA LYS 80 HA LYS 80 4.824 -12.195 -10.608 555 HB2 LYS 80 2HB LYS 80 7.231 -12.301 -11.020 556 HB3 LYS 80 3HB LYS 80 6.974 -11.906 -12.715 557 HG2 LYS 80 2HG LYS 80 5.764 -9.933 -10.994 558 HG3 LYS 80 3HG LYS 80 7.481 -10.137 -10.635 559 HD2 LYS 80 2HD LYS 80 7.648 -10.065 -13.286 560 HD3 LYS 80 3HD LYS 80 6.152 -9.146 -13.101 561 HE2 LYS 80 2HE LYS 80 7.354 -7.346 -12.609 562 HE3 LYS 80 3HE LYS 80 7.955 -8.166 -11.169 563 HZ1 LYS 80 1HZ LYS 80 9.463 -7.336 -13.269 564 HZ2 LYS 80 2HZ LYS 80 9.293 -8.992 -13.566 565 HZ3 LYS 80 3HZ LYS 80 9.942 -8.459 -12.097 566 H ASP 81 H ASP 81 4.693 -12.732 -14.070 567 HA ASP 81 HA ASP 81 3.463 -10.212 -14.668 568 HB2 ASP 81 2HB ASP 81 3.794 -12.752 -16.269 569 HB3 ASP 81 3HB ASP 81 3.022 -11.302 -16.905 570 H SER 82 H SER 82 2.339 -13.512 -14.129 571 HA SER 82 HA SER 82 0.261 -14.405 -13.856 572 HB2 SER 82 2HB SER 82 -0.824 -11.770 -12.967 573 HB3 SER 82 3HB SER 82 -1.035 -13.369 -12.256 574 HG SER 82 HG SER 82 0.765 -11.468 -11.644 575 H VAL 83 H VAL 83 -0.189 -14.735 -16.050 576 HA VAL 83 HA VAL 83 -1.968 -12.731 -17.280 577 HB VAL 83 HB VAL 83 0.022 -13.005 -18.613 578 HG11 VAL 83 1HG1 VAL 83 -0.122 -15.687 -17.751 579 HG12 VAL 83 2HG1 VAL 83 -0.235 -15.703 -19.512 580 HG13 VAL 83 3HG1 VAL 83 1.135 -14.921 -18.722 581 HG21 VAL 83 1HG2 VAL 83 -2.087 -12.719 -19.808 582 HG22 VAL 83 2HG2 VAL 83 -0.967 -13.718 -20.734 583 HG23 VAL 83 3HG2 VAL 83 -2.303 -14.469 -19.861 584 H PHE 84 H PHE 84 -4.030 -13.294 -17.395 585 HA PHE 84 HA PHE 84 -4.705 -16.152 -17.617 586 HB2 PHE 84 2HB PHE 84 -6.820 -14.628 -16.375 587 HB3 PHE 84 3HB PHE 84 -5.987 -16.062 -15.784 588 HD1 PHE 84 HD1 PHE 84 -6.474 -12.556 -15.380 589 HD2 PHE 84 HD2 PHE 84 -3.747 -15.734 -14.617 590 HE1 PHE 84 HE1 PHE 84 -5.380 -11.197 -13.644 591 HE2 PHE 84 HE2 PHE 84 -2.649 -14.381 -12.881 592 HZ PHE 84 HZ PHE 84 -3.466 -12.109 -12.391 593 H VAL 85 H VAL 85 -6.176 -16.702 -19.135 594 HA VAL 85 HA VAL 85 -7.275 -14.515 -20.768 595 HB VAL 85 HB VAL 85 -6.939 -17.403 -21.580 596 HG11 VAL 85 1HG1 VAL 85 -8.496 -16.568 -23.042 597 HG12 VAL 85 2HG1 VAL 85 -7.868 -14.922 -22.943 598 HG13 VAL 85 3HG1 VAL 85 -7.006 -16.141 -23.883 599 HG21 VAL 85 1HG2 VAL 85 -4.738 -16.852 -21.466 600 HG22 VAL 85 2HG2 VAL 85 -5.092 -16.153 -23.046 601 HG23 VAL 85 3HG2 VAL 85 -5.048 -15.123 -21.615 602 H LEU 86 H LEU 86 -9.426 -14.333 -21.103 603 HA LEU 86 HA LEU 86 -11.169 -16.004 -19.488 604 HB2 LEU 86 2HB LEU 86 -11.241 -13.427 -19.731 605 HB3 LEU 86 3HB LEU 86 -12.087 -13.757 -21.241 606 HG LEU 86 HG LEU 86 -13.028 -14.748 -18.555 607 HD11 LEU 86 1HD1 LEU 86 -14.795 -12.824 -19.278 608 HD12 LEU 86 2HD1 LEU 86 -13.277 -12.117 -19.828 609 HD13 LEU 86 3HD1 LEU 86 -13.468 -12.588 -18.140 610 HD21 LEU 86 1HD2 LEU 86 -13.966 -14.965 -21.341 611 HD22 LEU 86 2HD2 LEU 86 -15.200 -14.587 -20.139 612 HD23 LEU 86 3HD2 LEU 86 -14.218 -16.042 -19.968 613 H VAL 87 H VAL 87 -11.981 -17.806 -20.312 614 HA VAL 87 HA VAL 87 -12.546 -17.913 -23.202 615 HB VAL 87 HB VAL 87 -12.392 -20.354 -23.022 616 HG11 VAL 87 1HG1 VAL 87 -10.124 -20.406 -23.206 617 HG12 VAL 87 2HG1 VAL 87 -10.359 -18.657 -23.244 618 HG13 VAL 87 3HG1 VAL 87 -9.872 -19.450 -21.745 619 HG21 VAL 87 1HG2 VAL 87 -11.363 -21.273 -20.891 620 HG22 VAL 87 2HG2 VAL 87 -11.826 -19.751 -20.131 621 HG23 VAL 87 3HG2 VAL 87 -13.063 -20.810 -20.807 622 H ARG 88 H ARG 88 -14.546 -18.477 -23.916 623 HA ARG 88 HA ARG 88 -16.669 -18.530 -21.916 624 HB2 ARG 88 2HB ARG 88 -18.184 -18.115 -23.776 625 HB3 ARG 88 3HB ARG 88 -16.857 -16.962 -23.805 626 HG2 ARG 88 2HG ARG 88 -15.858 -17.981 -25.655 627 HG3 ARG 88 3HG ARG 88 -16.792 -19.464 -25.452 628 HD2 ARG 88 2HD ARG 88 -17.786 -18.374 -27.274 629 HD3 ARG 88 3HD ARG 88 -18.850 -18.033 -25.910 630 HE ARG 88 HE ARG 88 -16.866 -16.006 -26.321 631 HH11 ARG 88 1HH1 ARG 88 -19.997 -17.162 -27.313 632 HH12 ARG 88 2HH1 ARG 88 -20.544 -15.608 -27.852 633 HH21 ARG 88 1HH2 ARG 88 -17.574 -13.956 -27.028 634 HH22 ARG 88 2HH2 ARG 88 -19.165 -13.786 -27.690 635 H LYS 89 H LYS 89 -18.174 -20.169 -21.727 636 HA LYS 89 HA LYS 89 -17.332 -22.745 -22.836 637 HB2 LYS 89 2HB LYS 89 -17.768 -22.273 -20.315 638 HB3 LYS 89 3HB LYS 89 -19.467 -22.399 -20.753 639 HG2 LYS 89 2HG LYS 89 -18.895 -24.533 -20.017 640 HG3 LYS 89 3HG LYS 89 -18.854 -24.656 -21.777 641 HD2 LYS 89 2HD LYS 89 -16.603 -24.942 -21.838 642 HD3 LYS 89 3HD LYS 89 -16.325 -23.894 -20.445 643 HE2 LYS 89 2HE LYS 89 -15.755 -26.193 -19.907 644 HE3 LYS 89 3HE LYS 89 -17.145 -25.665 -18.961 645 HZ1 LYS 89 1HZ LYS 89 -16.945 -27.816 -20.805 646 HZ2 LYS 89 2HZ LYS 89 -18.191 -26.765 -21.254 647 HZ3 LYS 89 3HZ LYS 89 -18.185 -27.457 -19.711 648 H ALA 90 H ALA 90 -20.003 -20.492 -22.799 649 HA ALA 90 HA ALA 90 -21.235 -21.970 -24.996 650 HB1 ALA 90 1HB ALA 90 -22.555 -22.883 -23.329 651 HB2 ALA 90 2HB ALA 90 -22.545 -21.404 -22.368 652 HB3 ALA 90 3HB ALA 90 -23.506 -21.490 -23.844 Start of MODEL 15 1 H1 MET 10 H MET 10 4.077 -0.266 -3.200 2 HA MET 10 HA MET 10 5.688 -0.959 -4.818 3 HB2 MET 10 2HB MET 10 6.483 0.888 -2.717 4 HB3 MET 10 3HB MET 10 7.870 0.099 -3.457 5 HG2 MET 10 2HG MET 10 6.282 0.826 -5.604 6 HG3 MET 10 3HG MET 10 6.154 2.183 -4.487 7 HE1 MET 10 1HE MET 10 8.520 4.247 -5.782 8 HE2 MET 10 2HE MET 10 7.231 3.894 -4.631 9 HE3 MET 10 3HE MET 10 8.913 3.898 -4.098 10 H SER 11 H SER 11 6.300 -2.046 -1.548 11 HA SER 11 HA SER 11 8.465 -3.791 -2.422 12 HB2 SER 11 2HB SER 11 8.156 -2.427 -0.118 13 HB3 SER 11 3HB SER 11 7.437 -3.966 0.356 14 HG SER 11 HG SER 11 9.492 -4.831 -0.691 15 H GLU 12 H GLU 12 5.282 -4.078 -0.857 16 HA GLU 12 HA GLU 12 5.264 -6.937 -1.515 17 HB2 GLU 12 2HB GLU 12 3.393 -5.382 0.280 18 HB3 GLU 12 3HB GLU 12 3.418 -7.127 0.069 19 HG2 GLU 12 2HG GLU 12 5.094 -7.396 1.513 20 HG3 GLU 12 3HG GLU 12 5.993 -6.024 0.869 21 H THR 13 H THR 13 4.966 -5.307 -3.690 22 HA THR 13 HA THR 13 2.094 -5.167 -4.246 23 HB THR 13 HB THR 13 3.452 -4.297 -6.522 24 HG1 THR 13 HG1 THR 13 5.298 -3.521 -5.862 25 HG21 THR 13 1HG2 THR 13 2.152 -2.879 -4.211 26 HG22 THR 13 2HG2 THR 13 1.501 -3.188 -5.821 27 HG23 THR 13 3HG2 THR 13 2.787 -2.001 -5.602 28 H ILE 14 H ILE 14 1.132 -6.246 -5.963 29 HA ILE 14 HA ILE 14 2.763 -8.182 -7.438 30 HB ILE 14 HB ILE 14 0.203 -8.916 -6.013 31 HG12 ILE 14 2HG1 ILE 14 2.142 -8.684 -4.493 32 HG13 ILE 14 3HG1 ILE 14 1.594 -10.353 -4.620 33 HG21 ILE 14 1HG2 ILE 14 1.390 -11.241 -6.820 34 HG22 ILE 14 2HG2 ILE 14 0.067 -10.430 -7.655 35 HG23 ILE 14 3HG2 ILE 14 1.732 -10.160 -8.170 36 HD11 ILE 14 1HD1 ILE 14 3.621 -9.805 -6.580 37 HD12 ILE 14 2HD1 ILE 14 4.181 -9.388 -4.960 38 HD13 ILE 14 3HD1 ILE 14 3.591 -11.015 -5.297 39 HA PRO 15 HA PRO 15 0.118 -6.121 -10.474 40 HB2 PRO 15 2HB PRO 15 1.667 -6.803 -12.597 41 HB3 PRO 15 3HB PRO 15 2.037 -5.437 -11.537 42 HG2 PRO 15 2HG PRO 15 3.182 -8.203 -11.532 43 HG3 PRO 15 3HG PRO 15 4.013 -6.648 -11.342 44 HD2 PRO 15 2HD PRO 15 3.402 -8.239 -9.238 45 HD3 PRO 15 3HD PRO 15 3.436 -6.468 -9.118 46 H VAL 16 H VAL 16 -1.339 -6.892 -11.997 47 HA VAL 16 HA VAL 16 -1.264 -9.725 -12.703 48 HB VAL 16 HB VAL 16 -3.755 -8.502 -11.520 49 HG11 VAL 16 1HG1 VAL 16 -4.183 -11.090 -11.315 50 HG12 VAL 16 2HG1 VAL 16 -4.507 -10.231 -12.822 51 HG13 VAL 16 3HG1 VAL 16 -3.020 -11.162 -12.638 52 HG21 VAL 16 1HG2 VAL 16 -3.268 -10.046 -9.584 53 HG22 VAL 16 2HG2 VAL 16 -1.637 -10.213 -10.234 54 HG23 VAL 16 3HG2 VAL 16 -2.222 -8.632 -9.715 55 H SER 17 H SER 17 -2.546 -10.268 -14.520 56 HA SER 17 HA SER 17 -3.756 -8.026 -15.973 57 HB2 SER 17 2HB SER 17 -2.671 -9.011 -18.085 58 HB3 SER 17 3HB SER 17 -1.632 -8.087 -17.000 59 HG SER 17 HG SER 17 -0.448 -9.830 -17.090 60 H VAL 18 H VAL 18 -5.591 -8.528 -17.036 61 HA VAL 18 HA VAL 18 -6.254 -11.358 -17.447 62 HB VAL 18 HB VAL 18 -8.136 -9.349 -16.202 63 HG11 VAL 18 1HG1 VAL 18 -9.497 -11.508 -15.864 64 HG12 VAL 18 2HG1 VAL 18 -9.485 -10.768 -17.466 65 HG13 VAL 18 3HG1 VAL 18 -8.476 -12.176 -17.137 66 HG21 VAL 18 1HG2 VAL 18 -7.193 -9.920 -14.269 67 HG22 VAL 18 2HG2 VAL 18 -7.829 -11.546 -14.514 68 HG23 VAL 18 3HG2 VAL 18 -6.196 -11.148 -15.049 69 H GLN 19 H GLN 19 -7.036 -11.745 -19.416 70 HA GLN 19 HA GLN 19 -7.932 -9.450 -21.023 71 HB2 GLN 19 2HB GLN 19 -6.355 -11.880 -21.636 72 HB3 GLN 19 3HB GLN 19 -7.499 -11.368 -22.870 73 HG2 GLN 19 2HG GLN 19 -6.318 -9.523 -23.398 74 HG3 GLN 19 3HG GLN 19 -5.780 -9.258 -21.741 75 HE21 GLN 19 1HE2 GLN 19 -4.975 -10.464 -24.800 76 HE22 GLN 19 2HE2 GLN 19 -3.431 -11.128 -24.401 77 H CYS 20 H CYS 20 -9.844 -9.531 -22.149 78 HA CYS 20 HA CYS 20 -11.501 -11.935 -21.839 79 HB2 CYS 20 2HB CYS 20 -12.568 -9.140 -21.423 80 HB3 CYS 20 3HB CYS 20 -13.415 -10.660 -21.160 81 HG CYS 20 HG CYS 20 -12.538 -11.161 -18.759 82 H CYS 21 H CYS 21 -13.083 -12.240 -23.445 83 HA CYS 21 HA CYS 21 -12.364 -11.534 -26.032 84 HB2 CYS 21 2HB CYS 21 -14.432 -13.056 -24.781 85 HB3 CYS 21 3HB CYS 21 -15.168 -12.024 -26.001 86 HG CYS 21 HG CYS 21 -13.558 -14.835 -26.401 87 H GLU 22 H GLU 22 -14.269 -9.819 -23.706 88 HA GLU 22 HA GLU 22 -15.382 -8.000 -25.676 89 HB2 GLU 22 2HB GLU 22 -16.321 -8.854 -23.288 90 HB3 GLU 22 3HB GLU 22 -15.569 -7.342 -22.798 91 HG2 GLU 22 2HG GLU 22 -17.689 -6.640 -23.271 92 HG3 GLU 22 3HG GLU 22 -16.894 -6.361 -24.820 93 H GLY 23 H GLY 23 -12.647 -8.213 -23.589 94 HA2 GLY 23 2HA GLY 23 -11.224 -6.144 -24.725 95 HA3 GLY 23 3HA GLY 23 -12.102 -5.418 -23.388 96 H ARG 24 H ARG 24 -9.340 -5.425 -23.458 97 HA ARG 24 HA ARG 24 -8.593 -7.488 -21.498 98 HB2 ARG 24 2HB ARG 24 -6.264 -6.989 -22.098 99 HB3 ARG 24 3HB ARG 24 -7.204 -7.471 -23.503 100 HG2 ARG 24 2HG ARG 24 -7.493 -5.008 -23.993 101 HG3 ARG 24 3HG ARG 24 -6.265 -4.720 -22.758 102 HD2 ARG 24 2HD ARG 24 -4.710 -5.051 -24.309 103 HD3 ARG 24 3HD ARG 24 -5.231 -6.732 -24.408 104 HE ARG 24 HE ARG 24 -6.208 -6.267 -26.421 105 HH11 ARG 24 1HH1 ARG 24 -5.585 -3.278 -24.749 106 HH12 ARG 24 2HH1 ARG 24 -6.026 -2.281 -26.096 107 HH21 ARG 24 1HH2 ARG 24 -6.792 -4.966 -28.201 108 HH22 ARG 24 2HH2 ARG 24 -6.714 -3.242 -28.058 109 H PHE 25 H PHE 25 -8.311 -6.909 -19.451 110 HA PHE 25 HA PHE 25 -7.641 -4.111 -18.845 111 HB2 PHE 25 2HB PHE 25 -10.121 -4.769 -18.494 112 HB3 PHE 25 3HB PHE 25 -9.529 -5.679 -17.108 113 HD1 PHE 25 HD1 PHE 25 -9.725 -4.625 -15.091 114 HD2 PHE 25 HD2 PHE 25 -9.027 -2.280 -18.574 115 HE1 PHE 25 HE1 PHE 25 -9.787 -2.581 -13.723 116 HE2 PHE 25 HE2 PHE 25 -9.086 -0.232 -17.211 117 HZ PHE 25 HZ PHE 25 -9.466 -0.381 -14.782 118 H GLU 26 H GLU 26 -6.127 -3.818 -17.297 119 HA GLU 26 HA GLU 26 -5.204 -6.210 -15.844 120 HB2 GLU 26 2HB GLU 26 -3.434 -3.933 -16.733 121 HB3 GLU 26 3HB GLU 26 -2.937 -5.480 -16.062 122 HG2 GLU 26 2HG GLU 26 -4.009 -6.536 -18.109 123 HG3 GLU 26 3HG GLU 26 -4.068 -4.907 -18.778 124 H LEU 27 H LEU 27 -4.361 -5.884 -13.741 125 HA LEU 27 HA LEU 27 -4.683 -3.252 -12.535 126 HB2 LEU 27 2HB LEU 27 -6.672 -5.223 -12.327 127 HB3 LEU 27 3HB LEU 27 -5.833 -5.212 -10.777 128 HG LEU 27 HG LEU 27 -6.257 -2.730 -10.690 129 HD11 LEU 27 1HD1 LEU 27 -6.871 -1.833 -12.647 130 HD12 LEU 27 2HD1 LEU 27 -8.485 -2.397 -12.215 131 HD13 LEU 27 3HD1 LEU 27 -7.467 -3.369 -13.279 132 HD21 LEU 27 1HD2 LEU 27 -7.674 -4.701 -9.689 133 HD22 LEU 27 2HD2 LEU 27 -8.878 -4.137 -10.848 134 HD23 LEU 27 3HD2 LEU 27 -8.257 -3.039 -9.614 135 H SER 28 H SER 28 -3.846 -3.198 -10.288 136 HA SER 28 HA SER 28 -1.862 -5.306 -9.769 137 HB2 SER 28 2HB SER 28 -1.173 -2.456 -9.166 138 HB3 SER 28 3HB SER 28 -0.106 -3.817 -9.511 139 HG SER 28 HG SER 28 -1.781 -2.497 -11.387 140 H VAL 29 H VAL 29 -2.067 -6.124 -7.800 141 HA VAL 29 HA VAL 29 -2.794 -4.411 -5.561 142 HB VAL 29 HB VAL 29 -4.938 -5.330 -6.503 143 HG11 VAL 29 1HG1 VAL 29 -5.462 -7.612 -6.377 144 HG12 VAL 29 2HG1 VAL 29 -3.837 -7.566 -7.066 145 HG13 VAL 29 3HG1 VAL 29 -4.064 -7.967 -5.363 146 HG21 VAL 29 1HG2 VAL 29 -4.217 -4.872 -3.945 147 HG22 VAL 29 2HG2 VAL 29 -5.847 -5.330 -4.436 148 HG23 VAL 29 3HG2 VAL 29 -4.733 -6.554 -3.830 149 H ASP 30 H ASP 30 -2.397 -5.394 -3.488 150 HA ASP 30 HA ASP 30 -0.068 -7.052 -3.504 151 HB2 ASP 30 2HB ASP 30 -1.788 -6.061 -1.222 152 HB3 ASP 30 3HB ASP 30 -0.255 -6.905 -1.023 153 H SER 31 H SER 31 0.168 -9.171 -2.936 154 HA SER 31 HA SER 31 -2.202 -10.816 -3.125 155 HB2 SER 31 2HB SER 31 0.751 -11.339 -3.102 156 HB3 SER 31 3HB SER 31 -0.371 -12.667 -2.807 157 HG SER 31 HG SER 31 -0.846 -10.996 -4.996 158 H ASN 32 H ASN 32 -3.238 -11.800 -1.503 159 HA ASN 32 HA ASN 32 -2.083 -12.634 0.918 160 HB2 ASN 32 2HB ASN 32 -3.016 -11.018 2.486 161 HB3 ASN 32 3HB ASN 32 -1.944 -10.202 1.351 162 HD21 ASN 32 1HD2 ASN 32 -3.085 -9.316 -0.621 163 HD22 ASN 32 2HD2 ASN 32 -4.590 -8.514 -0.342 164 H HIS 33 H HIS 33 -4.985 -11.517 -0.735 165 HA HIS 33 HA HIS 33 -6.670 -13.289 0.850 166 HB2 HIS 33 2HB HIS 33 -7.140 -11.061 -1.068 167 HB3 HIS 33 3HB HIS 33 -8.392 -12.294 -0.935 168 HD1 HIS 33 HD1 HIS 33 -7.661 -9.132 0.365 169 HD2 HIS 33 HD2 HIS 33 -8.903 -12.701 2.092 170 HE1 HIS 33 HE1 HIS 33 -8.681 -8.492 2.573 171 H THR 34 H THR 34 -8.388 -14.515 -0.501 172 HA THR 34 HA THR 34 -6.973 -16.413 -2.107 173 HB THR 34 HB THR 34 -8.828 -17.079 -0.611 174 HG1 THR 34 HG1 THR 34 -9.676 -17.701 -3.225 175 HG21 THR 34 1HG2 THR 34 -10.510 -15.563 -2.606 176 HG22 THR 34 2HG2 THR 34 -10.348 -15.239 -0.880 177 HG23 THR 34 3HG2 THR 34 -11.160 -16.704 -1.431 178 H LEU 35 H LEU 35 -8.014 -17.169 -4.227 179 HA LEU 35 HA LEU 35 -7.662 -15.257 -6.188 180 HB2 LEU 35 2HB LEU 35 -7.896 -17.872 -6.275 181 HB3 LEU 35 3HB LEU 35 -9.574 -17.496 -6.662 182 HG LEU 35 HG LEU 35 -8.230 -17.922 -8.667 183 HD11 LEU 35 1HD1 LEU 35 -10.109 -16.066 -8.374 184 HD12 LEU 35 2HD1 LEU 35 -9.266 -16.324 -9.901 185 HD13 LEU 35 3HD1 LEU 35 -8.769 -15.014 -8.831 186 HD21 LEU 35 1HD2 LEU 35 -6.706 -15.427 -7.936 187 HD22 LEU 35 2HD2 LEU 35 -6.451 -16.468 -9.337 188 HD23 LEU 35 3HD2 LEU 35 -6.090 -17.065 -7.717 189 H ARG 36 H ARG 36 -10.584 -16.152 -4.461 190 HA ARG 36 HA ARG 36 -12.526 -14.975 -6.032 191 HB2 ARG 36 2HB ARG 36 -12.346 -16.004 -3.398 192 HB3 ARG 36 3HB ARG 36 -13.109 -14.424 -3.281 193 HG2 ARG 36 2HG ARG 36 -15.006 -15.136 -4.226 194 HG3 ARG 36 3HG ARG 36 -14.157 -16.096 -5.439 195 HD2 ARG 36 2HD ARG 36 -13.616 -17.614 -3.347 196 HD3 ARG 36 3HD ARG 36 -15.071 -16.848 -2.708 197 HE ARG 36 HE ARG 36 -15.450 -17.881 -5.345 198 HH11 ARG 36 1HH1 ARG 36 -15.355 -18.734 -1.971 199 HH12 ARG 36 2HH1 ARG 36 -16.385 -20.115 -2.158 200 HH21 ARG 36 1HH2 ARG 36 -16.807 -19.696 -5.603 201 HH22 ARG 36 2HH2 ARG 36 -17.210 -20.662 -4.224 202 H ASP 37 H ASP 37 -10.185 -13.481 -3.917 203 HA ASP 37 HA ASP 37 -11.422 -10.907 -3.856 204 HB2 ASP 37 2HB ASP 37 -9.917 -11.464 -2.078 205 HB3 ASP 37 3HB ASP 37 -8.622 -11.839 -3.213 206 H VAL 38 H VAL 38 -8.724 -12.305 -5.696 207 HA VAL 38 HA VAL 38 -8.124 -9.973 -7.171 208 HB VAL 38 HB VAL 38 -7.648 -12.836 -8.010 209 HG11 VAL 38 1HG1 VAL 38 -5.636 -11.672 -9.124 210 HG12 VAL 38 2HG1 VAL 38 -7.222 -11.522 -9.884 211 HG13 VAL 38 3HG1 VAL 38 -6.573 -10.192 -8.923 212 HG21 VAL 38 1HG2 VAL 38 -6.404 -11.160 -5.946 213 HG22 VAL 38 2HG2 VAL 38 -6.421 -12.914 -6.127 214 HG23 VAL 38 3HG2 VAL 38 -5.271 -11.944 -7.047 215 H LEU 39 H LEU 39 -10.034 -12.856 -8.015 216 HA LEU 39 HA LEU 39 -10.781 -12.031 -10.585 217 HB2 LEU 39 2HB LEU 39 -11.021 -14.325 -9.706 218 HB3 LEU 39 3HB LEU 39 -12.335 -13.768 -8.672 219 HG LEU 39 HG LEU 39 -13.546 -13.120 -10.810 220 HD11 LEU 39 1HD1 LEU 39 -11.082 -14.269 -11.902 221 HD12 LEU 39 2HD1 LEU 39 -12.241 -13.158 -12.631 222 HD13 LEU 39 3HD1 LEU 39 -12.565 -14.891 -12.625 223 HD21 LEU 39 1HD2 LEU 39 -14.674 -15.024 -10.551 224 HD22 LEU 39 2HD2 LEU 39 -13.439 -15.482 -9.378 225 HD23 LEU 39 3HD2 LEU 39 -13.296 -16.001 -11.058 226 H ARG 40 H ARG 40 -12.187 -11.375 -7.430 227 HA ARG 40 HA ARG 40 -14.600 -10.224 -8.348 228 HB2 ARG 40 2HB ARG 40 -14.463 -10.926 -6.067 229 HB3 ARG 40 3HB ARG 40 -13.057 -9.911 -5.774 230 HG2 ARG 40 2HG ARG 40 -14.448 -7.915 -6.088 231 HG3 ARG 40 3HG ARG 40 -15.855 -8.951 -6.335 232 HD2 ARG 40 2HD ARG 40 -14.187 -9.181 -3.857 233 HD3 ARG 40 3HD ARG 40 -15.436 -7.944 -3.993 234 HE ARG 40 HE ARG 40 -16.424 -10.536 -4.653 235 HH11 ARG 40 1HH1 ARG 40 -15.613 -8.441 -1.994 236 HH12 ARG 40 2HH1 ARG 40 -16.713 -9.199 -0.891 237 HH21 ARG 40 1HH2 ARG 40 -17.876 -11.542 -3.211 238 HH22 ARG 40 2HH2 ARG 40 -17.999 -10.963 -1.584 239 H GLN 41 H GLN 41 -11.400 -8.900 -7.696 240 HA GLN 41 HA GLN 41 -12.122 -6.172 -7.959 241 HB2 GLN 41 2HB GLN 41 -9.871 -7.510 -7.164 242 HB3 GLN 41 3HB GLN 41 -9.376 -6.880 -8.730 243 HG2 GLN 41 2HG GLN 41 -9.357 -4.743 -8.021 244 HG3 GLN 41 3HG GLN 41 -10.736 -4.972 -6.947 245 HE21 GLN 41 1HE2 GLN 41 -7.667 -6.714 -7.085 246 HE22 GLN 41 2HE2 GLN 41 -7.164 -6.315 -5.482 247 H PHE 42 H PHE 42 -10.845 -8.567 -10.232 248 HA PHE 42 HA PHE 42 -10.653 -6.740 -12.415 249 HB2 PHE 42 2HB PHE 42 -10.442 -9.706 -12.096 250 HB3 PHE 42 3HB PHE 42 -10.631 -9.035 -13.713 251 HD1 PHE 42 HD1 PHE 42 -8.337 -9.888 -11.172 252 HD2 PHE 42 HD2 PHE 42 -8.976 -7.147 -14.364 253 HE1 PHE 42 HE1 PHE 42 -5.921 -9.431 -11.258 254 HE2 PHE 42 HE2 PHE 42 -6.561 -6.685 -14.456 255 HZ PHE 42 HZ PHE 42 -5.030 -7.828 -12.902 256 H LYS 43 H LYS 43 -12.915 -9.398 -11.691 257 HA LYS 43 HA LYS 43 -14.638 -9.034 -13.839 258 HB2 LYS 43 2HB LYS 43 -16.192 -10.379 -12.675 259 HB3 LYS 43 3HB LYS 43 -14.609 -10.931 -12.141 260 HG2 LYS 43 2HG LYS 43 -15.579 -10.795 -10.114 261 HG3 LYS 43 3HG LYS 43 -15.094 -9.103 -10.247 262 HD2 LYS 43 2HD LYS 43 -17.219 -8.456 -10.151 263 HD3 LYS 43 3HD LYS 43 -17.615 -9.462 -11.546 264 HE2 LYS 43 2HE LYS 43 -18.020 -11.360 -10.130 265 HE3 LYS 43 3HE LYS 43 -17.441 -10.483 -8.714 266 HZ1 LYS 43 1HZ LYS 43 -19.946 -10.665 -9.068 267 HZ2 LYS 43 2HZ LYS 43 -19.745 -9.502 -10.280 268 HZ3 LYS 43 3HZ LYS 43 -19.320 -9.141 -8.682 269 H ARG 44 H ARG 44 -14.355 -7.250 -10.860 270 HA ARG 44 HA ARG 44 -16.879 -5.927 -11.042 271 HB2 ARG 44 2HB ARG 44 -15.833 -6.102 -8.889 272 HB3 ARG 44 3HB ARG 44 -14.373 -5.316 -9.475 273 HG2 ARG 44 2HG ARG 44 -15.250 -3.242 -9.294 274 HG3 ARG 44 3HG ARG 44 -16.880 -3.776 -9.710 275 HD2 ARG 44 2HD ARG 44 -17.411 -4.286 -7.555 276 HD3 ARG 44 3HD ARG 44 -15.754 -4.719 -7.136 277 HE ARG 44 HE ARG 44 -15.377 -2.547 -6.505 278 HH11 ARG 44 1HH1 ARG 44 -18.339 -2.724 -8.326 279 HH12 ARG 44 2HH1 ARG 44 -18.803 -1.092 -7.978 280 HH21 ARG 44 1HH2 ARG 44 -15.978 -0.396 -6.040 281 HH22 ARG 44 2HH2 ARG 44 -17.459 0.232 -6.678 282 H GLU 45 H GLU 45 -13.747 -5.423 -12.420 283 HA GLU 45 HA GLU 45 -14.431 -2.706 -13.260 284 HB2 GLU 45 2HB GLU 45 -11.865 -4.263 -13.620 285 HB3 GLU 45 3HB GLU 45 -12.109 -2.575 -14.046 286 HG2 GLU 45 2HG GLU 45 -12.595 -3.470 -11.245 287 HG3 GLU 45 3HG GLU 45 -10.945 -3.214 -11.811 288 H VAL 46 H VAL 46 -14.240 -5.936 -14.450 289 HA VAL 46 HA VAL 46 -14.100 -5.225 -17.235 290 HB VAL 46 HB VAL 46 -13.390 -7.460 -16.063 291 HG11 VAL 46 1HG1 VAL 46 -14.958 -9.115 -15.808 292 HG12 VAL 46 2HG1 VAL 46 -15.912 -7.698 -15.365 293 HG13 VAL 46 3HG1 VAL 46 -16.066 -8.398 -16.977 294 HG21 VAL 46 1HG2 VAL 46 -14.575 -7.040 -18.770 295 HG22 VAL 46 2HG2 VAL 46 -12.896 -7.321 -18.310 296 HG23 VAL 46 3HG2 VAL 46 -14.049 -8.655 -18.294 297 H ALA 47 H ALA 47 -16.579 -5.547 -14.879 298 HA ALA 47 HA ALA 47 -18.740 -6.134 -16.641 299 HB1 ALA 47 1HB ALA 47 -19.570 -4.701 -14.285 300 HB2 ALA 47 2HB ALA 47 -19.865 -6.380 -14.741 301 HB3 ALA 47 3HB ALA 47 -18.389 -5.947 -13.878 302 H ALA 48 H ALA 48 -16.914 -3.337 -16.069 303 HA ALA 48 HA ALA 48 -18.859 -1.327 -16.438 304 HB1 ALA 48 1HB ALA 48 -15.896 -1.461 -16.615 305 HB2 ALA 48 2HB ALA 48 -16.712 -0.065 -17.319 306 HB3 ALA 48 3HB ALA 48 -16.925 -0.442 -15.610 307 H LEU 49 H LEU 49 -16.902 -3.193 -18.699 308 HA LEU 49 HA LEU 49 -18.336 -1.902 -20.925 309 HB2 LEU 49 2HB LEU 49 -16.377 -2.988 -22.258 310 HB3 LEU 49 3HB LEU 49 -16.140 -1.466 -21.400 311 HG LEU 49 HG LEU 49 -15.448 -3.996 -19.993 312 HD11 LEU 49 1HD1 LEU 49 -13.701 -2.726 -22.096 313 HD12 LEU 49 2HD1 LEU 49 -14.486 -4.300 -22.222 314 HD13 LEU 49 3HD1 LEU 49 -13.238 -4.032 -21.005 315 HD21 LEU 49 1HD2 LEU 49 -15.228 -1.299 -19.444 316 HD22 LEU 49 2HD2 LEU 49 -13.598 -1.756 -19.937 317 HD23 LEU 49 3HD2 LEU 49 -14.388 -2.606 -18.608 318 H ASP 50 H ASP 50 -17.661 -4.867 -19.300 319 HA ASP 50 HA ASP 50 -18.880 -6.437 -21.455 320 HB2 ASP 50 2HB ASP 50 -16.715 -6.979 -19.857 321 HB3 ASP 50 3HB ASP 50 -18.000 -7.873 -19.051 322 HA PRO 51 HA PRO 51 -22.622 -5.992 -18.969 323 HB2 PRO 51 2HB PRO 51 -24.287 -6.856 -20.932 324 HB3 PRO 51 3HB PRO 51 -23.661 -5.205 -20.861 325 HG2 PRO 51 2HG PRO 51 -22.712 -7.521 -22.504 326 HG3 PRO 51 3HG PRO 51 -22.927 -5.826 -22.979 327 HD2 PRO 51 2HD PRO 51 -20.506 -6.872 -22.366 328 HD3 PRO 51 3HD PRO 51 -20.924 -5.178 -22.039 329 H ILE 52 H ILE 52 -21.503 -8.770 -20.809 330 HA ILE 52 HA ILE 52 -23.329 -10.661 -19.766 331 HB ILE 52 HB ILE 52 -21.894 -10.979 -21.809 332 HG12 ILE 52 2HG1 ILE 52 -21.238 -13.380 -20.299 333 HG13 ILE 52 3HG1 ILE 52 -22.877 -12.826 -19.971 334 HG21 ILE 52 1HG2 ILE 52 -19.788 -10.203 -20.775 335 HG22 ILE 52 2HG2 ILE 52 -19.762 -11.665 -19.791 336 HG23 ILE 52 3HG2 ILE 52 -19.632 -11.781 -21.546 337 HD11 ILE 52 1HD1 ILE 52 -23.202 -12.743 -22.474 338 HD12 ILE 52 2HD1 ILE 52 -21.677 -13.620 -22.602 339 HD13 ILE 52 3HD1 ILE 52 -23.043 -14.344 -21.752 340 H ASN 53 H ASN 53 -23.104 -12.173 -18.116 341 HA ASN 53 HA ASN 53 -21.617 -11.272 -15.837 342 HB2 ASN 53 2HB ASN 53 -23.662 -12.203 -15.234 343 HB3 ASN 53 3HB ASN 53 -23.511 -13.531 -16.381 344 HD21 ASN 53 1HD2 ASN 53 -23.535 -15.330 -15.235 345 HD22 ASN 53 2HD2 ASN 53 -22.566 -15.654 -13.842 346 H LEU 54 H LEU 54 -19.535 -11.670 -15.533 347 HA LEU 54 HA LEU 54 -18.040 -13.534 -17.025 348 HB2 LEU 54 2HB LEU 54 -16.859 -11.700 -16.188 349 HB3 LEU 54 3HB LEU 54 -17.489 -11.925 -14.558 350 HG LEU 54 HG LEU 54 -15.883 -14.180 -15.449 351 HD11 LEU 54 1HD1 LEU 54 -14.886 -12.026 -16.577 352 HD12 LEU 54 2HD1 LEU 54 -13.840 -13.215 -15.802 353 HD13 LEU 54 3HD1 LEU 54 -14.269 -11.731 -14.952 354 HD21 LEU 54 1HD2 LEU 54 -14.683 -13.382 -13.263 355 HD22 LEU 54 2HD2 LEU 54 -16.275 -14.136 -13.186 356 HD23 LEU 54 3HD2 LEU 54 -16.124 -12.381 -13.083 357 H GLU 55 H GLU 55 -19.674 -13.737 -13.944 358 HA GLU 55 HA GLU 55 -18.423 -16.025 -12.914 359 HB2 GLU 55 2HB GLU 55 -20.395 -14.331 -12.054 360 HB3 GLU 55 3HB GLU 55 -21.300 -15.806 -12.362 361 HG2 GLU 55 2HG GLU 55 -20.722 -16.143 -10.190 362 HG3 GLU 55 3HG GLU 55 -19.348 -16.903 -10.989 363 H GLU 56 H GLU 56 -20.582 -15.640 -15.540 364 HA GLU 56 HA GLU 56 -21.520 -18.381 -15.504 365 HB2 GLU 56 2HB GLU 56 -22.318 -15.940 -16.768 366 HB3 GLU 56 3HB GLU 56 -22.056 -17.158 -18.008 367 HG2 GLU 56 2HG GLU 56 -23.579 -18.673 -16.838 368 HG3 GLU 56 3HG GLU 56 -23.852 -17.439 -15.609 369 H TYR 57 H TYR 57 -18.652 -17.062 -16.224 370 HA TYR 57 HA TYR 57 -18.069 -19.118 -18.243 371 HB2 TYR 57 2HB TYR 57 -17.091 -16.256 -18.262 372 HB3 TYR 57 3HB TYR 57 -16.476 -17.525 -19.316 373 HD1 TYR 57 HD1 TYR 57 -19.047 -18.910 -19.972 374 HD2 TYR 57 HD2 TYR 57 -18.070 -14.773 -19.796 375 HE1 TYR 57 HE1 TYR 57 -20.827 -18.427 -21.599 376 HE2 TYR 57 HE2 TYR 57 -19.848 -14.278 -21.422 377 HH TYR 57 HH TYR 57 -21.916 -16.857 -22.724 378 H VAL 58 H VAL 58 -15.635 -19.463 -18.432 379 HA VAL 58 HA VAL 58 -14.460 -19.398 -15.730 380 HB VAL 58 HB VAL 58 -13.190 -21.401 -16.340 381 HG11 VAL 58 1HG1 VAL 58 -15.342 -21.676 -15.240 382 HG12 VAL 58 2HG1 VAL 58 -16.158 -21.685 -16.805 383 HG13 VAL 58 3HG1 VAL 58 -15.055 -22.994 -16.376 384 HG21 VAL 58 1HG2 VAL 58 -14.163 -20.732 -18.986 385 HG22 VAL 58 2HG2 VAL 58 -12.831 -21.784 -18.507 386 HG23 VAL 58 3HG2 VAL 58 -14.475 -22.418 -18.576 387 H VAL 59 H VAL 59 -12.323 -18.813 -15.475 388 HA VAL 59 HA VAL 59 -11.065 -17.573 -17.833 389 HB VAL 59 HB VAL 59 -11.621 -15.926 -16.142 390 HG11 VAL 59 1HG1 VAL 59 -10.934 -17.972 -14.339 391 HG12 VAL 59 2HG1 VAL 59 -9.797 -16.652 -14.060 392 HG13 VAL 59 3HG1 VAL 59 -11.533 -16.356 -13.966 393 HG21 VAL 59 1HG2 VAL 59 -9.701 -14.795 -16.418 394 HG22 VAL 59 2HG2 VAL 59 -8.734 -16.050 -15.642 395 HG23 VAL 59 3HG2 VAL 59 -9.192 -16.211 -17.338 396 H ASN 60 H ASN 60 -9.234 -18.438 -18.544 397 HA ASN 60 HA ASN 60 -7.855 -20.396 -16.860 398 HB2 ASN 60 2HB ASN 60 -6.808 -21.180 -18.920 399 HB3 ASN 60 3HB ASN 60 -8.557 -21.111 -19.118 400 HD21 ASN 60 1HD2 ASN 60 -5.538 -20.031 -20.244 401 HD22 ASN 60 2HD2 ASN 60 -6.114 -18.970 -21.481 402 H HIS 61 H HIS 61 -5.670 -20.279 -16.404 403 HA HIS 61 HA HIS 61 -4.433 -17.652 -16.891 404 HB2 HIS 61 2HB HIS 61 -2.983 -18.342 -14.879 405 HB3 HIS 61 3HB HIS 61 -4.653 -17.877 -14.565 406 HD1 HIS 61 HD1 HIS 61 -2.283 -20.674 -14.228 407 HD2 HIS 61 HD2 HIS 61 -6.386 -20.084 -13.953 408 HE1 HIS 61 HE1 HIS 61 -3.180 -22.717 -13.068 409 H GLU 62 H GLU 62 -2.875 -17.658 -18.360 410 HA GLU 62 HA GLU 62 -1.184 -18.336 -19.724 411 HB2 GLU 62 2HB GLU 62 -0.538 -19.701 -17.132 412 HB3 GLU 62 3HB GLU 62 0.460 -19.987 -18.551 413 HG2 GLU 62 2HG GLU 62 0.813 -17.535 -18.724 414 HG3 GLU 62 3HG GLU 62 -0.058 -17.349 -17.203 415 H GLY 63 H GLY 63 -3.689 -19.777 -19.880 416 HA2 GLY 63 2HA GLY 63 -4.403 -21.480 -21.291 417 HA3 GLY 63 3HA GLY 63 -2.743 -22.046 -21.402 418 H LYS 64 H LYS 64 -3.773 -21.559 -18.212 419 HA LYS 64 HA LYS 64 -4.208 -24.456 -17.899 420 HB2 LYS 64 2HB LYS 64 -2.178 -23.626 -16.793 421 HB3 LYS 64 3HB LYS 64 -3.139 -22.459 -15.894 422 HG2 LYS 64 2HG LYS 64 -2.713 -24.232 -14.412 423 HG3 LYS 64 3HG LYS 64 -4.391 -24.425 -14.924 424 HD2 LYS 64 2HD LYS 64 -3.734 -26.133 -16.519 425 HD3 LYS 64 3HD LYS 64 -2.036 -25.903 -16.098 426 HE2 LYS 64 2HE LYS 64 -4.108 -26.690 -14.067 427 HE3 LYS 64 3HE LYS 64 -3.239 -27.880 -15.035 428 HZ1 LYS 64 1HZ LYS 64 -1.399 -27.623 -13.824 429 HZ2 LYS 64 2HZ LYS 64 -2.397 -26.890 -12.672 430 HZ3 LYS 64 3HZ LYS 64 -1.532 -25.937 -13.770 431 H LEU 65 H LEU 65 -5.915 -25.196 -16.680 432 HA LEU 65 HA LEU 65 -8.082 -23.300 -16.288 433 HB2 LEU 65 2HB LEU 65 -7.860 -26.284 -16.300 434 HB3 LEU 65 3HB LEU 65 -9.282 -25.501 -15.614 435 HG LEU 65 HG LEU 65 -9.685 -26.226 -17.905 436 HD11 LEU 65 1HD1 LEU 65 -10.859 -24.374 -18.504 437 HD12 LEU 65 2HD1 LEU 65 -9.516 -23.278 -18.185 438 HD13 LEU 65 3HD1 LEU 65 -10.463 -23.925 -16.845 439 HD21 LEU 65 1HD2 LEU 65 -7.142 -25.747 -18.451 440 HD22 LEU 65 2HD2 LEU 65 -7.799 -24.201 -18.988 441 HD23 LEU 65 3HD2 LEU 65 -8.383 -25.705 -19.703 442 H LEU 66 H LEU 66 -8.705 -22.508 -14.383 443 HA LEU 66 HA LEU 66 -7.180 -22.986 -12.036 444 HB2 LEU 66 2HB LEU 66 -8.619 -20.920 -12.837 445 HB3 LEU 66 3HB LEU 66 -9.871 -21.724 -11.893 446 HG LEU 66 HG LEU 66 -8.858 -20.061 -10.517 447 HD11 LEU 66 1HD1 LEU 66 -8.183 -21.354 -8.647 448 HD12 LEU 66 2HD1 LEU 66 -7.647 -22.683 -9.674 449 HD13 LEU 66 3HD1 LEU 66 -9.366 -22.316 -9.533 450 HD21 LEU 66 1HD2 LEU 66 -6.768 -19.821 -11.785 451 HD22 LEU 66 2HD2 LEU 66 -6.204 -21.357 -11.129 452 HD23 LEU 66 3HD2 LEU 66 -6.477 -19.986 -10.054 453 H LEU 67 H LEU 67 -7.386 -24.558 -10.596 454 HA LEU 67 HA LEU 67 -9.461 -26.496 -10.764 455 HB2 LEU 67 2HB LEU 67 -6.953 -26.525 -9.796 456 HB3 LEU 67 3HB LEU 67 -7.851 -26.329 -8.292 457 HG LEU 67 HG LEU 67 -8.583 -28.518 -10.197 458 HD11 LEU 67 1HD1 LEU 67 -6.010 -28.294 -9.329 459 HD12 LEU 67 2HD1 LEU 67 -6.817 -29.810 -9.727 460 HD13 LEU 67 3HD1 LEU 67 -6.740 -29.266 -8.051 461 HD21 LEU 67 1HD2 LEU 67 -8.587 -28.581 -7.203 462 HD22 LEU 67 2HD2 LEU 67 -9.562 -29.512 -8.340 463 HD23 LEU 67 3HD2 LEU 67 -9.892 -27.796 -8.093 464 H ASP 68 H ASP 68 -8.631 -24.079 -8.281 465 HA ASP 68 HA ASP 68 -11.440 -23.753 -7.648 466 HB2 ASP 68 2HB ASP 68 -9.797 -25.476 -6.083 467 HB3 ASP 68 3HB ASP 68 -10.143 -24.040 -5.124 468 H ASP 69 H ASP 69 -11.850 -21.680 -7.238 469 HA ASP 69 HA ASP 69 -9.727 -19.770 -7.177 470 HB2 ASP 69 2HB ASP 69 -12.562 -19.086 -6.474 471 HB3 ASP 69 3HB ASP 69 -11.377 -18.136 -7.367 472 H SER 70 H SER 70 -11.102 -21.678 -4.810 473 HA SER 70 HA SER 70 -11.151 -19.865 -2.622 474 HB2 SER 70 2HB SER 70 -11.761 -21.672 -1.340 475 HB3 SER 70 3HB SER 70 -12.154 -22.314 -2.935 476 HG SER 70 HG SER 70 -10.852 -23.706 -1.538 477 H VAL 71 H VAL 71 -8.641 -21.546 -4.259 478 HA VAL 71 HA VAL 71 -6.755 -21.451 -2.078 479 HB VAL 71 HB VAL 71 -5.129 -22.307 -3.643 480 HG11 VAL 71 1HG1 VAL 71 -6.020 -24.399 -3.869 481 HG12 VAL 71 2HG1 VAL 71 -7.195 -23.695 -2.756 482 HG13 VAL 71 3HG1 VAL 71 -7.562 -23.797 -4.479 483 HG21 VAL 71 1HG2 VAL 71 -6.890 -21.082 -5.589 484 HG22 VAL 71 2HG2 VAL 71 -5.199 -21.561 -5.743 485 HG23 VAL 71 3HG2 VAL 71 -6.479 -22.741 -6.027 486 H THR 72 H THR 72 -4.537 -20.437 -2.588 487 HA THR 72 HA THR 72 -5.002 -17.624 -3.111 488 HB THR 72 HB THR 72 -3.005 -17.177 -2.040 489 HG1 THR 72 HG1 THR 72 -1.314 -18.809 -1.904 490 HG21 THR 72 1HG2 THR 72 -3.246 -19.828 -0.733 491 HG22 THR 72 2HG2 THR 72 -4.685 -18.808 -0.748 492 HG23 THR 72 3HG2 THR 72 -3.190 -18.216 -0.023 493 H LEU 73 H LEU 73 -3.953 -16.389 -4.675 494 HA LEU 73 HA LEU 73 -3.667 -17.475 -7.205 495 HB2 LEU 73 2HB LEU 73 -2.830 -15.387 -7.899 496 HB3 LEU 73 3HB LEU 73 -3.956 -15.054 -6.584 497 HG LEU 73 HG LEU 73 -0.974 -15.176 -6.188 498 HD11 LEU 73 1HD1 LEU 73 -1.938 -13.399 -7.857 499 HD12 LEU 73 2HD1 LEU 73 -0.744 -12.943 -6.643 500 HD13 LEU 73 3HD1 LEU 73 -2.452 -12.597 -6.373 501 HD21 LEU 73 1HD2 LEU 73 -3.271 -14.096 -4.564 502 HD22 LEU 73 2HD2 LEU 73 -1.573 -13.785 -4.201 503 HD23 LEU 73 3HD2 LEU 73 -2.198 -15.434 -4.154 504 H GLN 74 H GLN 74 -1.282 -17.070 -4.666 505 HA GLN 74 HA GLN 74 0.969 -17.710 -6.311 506 HB2 GLN 74 2HB GLN 74 0.681 -16.571 -3.853 507 HB3 GLN 74 3HB GLN 74 1.201 -18.193 -3.414 508 HG2 GLN 74 2HG GLN 74 3.137 -17.911 -4.956 509 HG3 GLN 74 3HG GLN 74 2.647 -16.231 -5.175 510 HE21 GLN 74 1HE2 GLN 74 3.364 -18.566 -2.606 511 HE22 GLN 74 2HE2 GLN 74 4.170 -17.441 -1.571 512 H THR 75 H THR 75 -1.204 -19.511 -4.220 513 HA THR 75 HA THR 75 0.217 -21.902 -4.012 514 HB THR 75 HB THR 75 -2.772 -21.458 -4.103 515 HG1 THR 75 HG1 THR 75 -1.158 -22.030 -1.841 516 HG21 THR 75 1HG2 THR 75 -1.196 -23.904 -3.293 517 HG22 THR 75 2HG2 THR 75 -2.317 -23.771 -4.648 518 HG23 THR 75 3HG2 THR 75 -2.918 -23.671 -2.993 519 H VAL 76 H VAL 76 -1.785 -20.648 -6.606 520 HA VAL 76 HA VAL 76 -1.968 -23.073 -8.080 521 HB VAL 76 HB VAL 76 -2.263 -20.209 -8.997 522 HG11 VAL 76 1HG1 VAL 76 -1.879 -21.312 -10.986 523 HG12 VAL 76 2HG1 VAL 76 -2.606 -22.816 -10.415 524 HG13 VAL 76 3HG1 VAL 76 -3.631 -21.444 -10.839 525 HG21 VAL 76 1HG2 VAL 76 -4.688 -20.761 -8.937 526 HG22 VAL 76 2HG2 VAL 76 -4.277 -22.295 -8.168 527 HG23 VAL 76 3HG2 VAL 76 -3.917 -20.774 -7.350 528 H GLY 77 H GLY 77 0.449 -20.604 -7.790 529 HA2 GLY 77 2HA GLY 77 2.687 -20.826 -8.453 530 HA3 GLY 77 3HA GLY 77 2.221 -22.158 -9.500 531 H VAL 78 H VAL 78 0.709 -18.980 -9.449 532 HA VAL 78 HA VAL 78 0.905 -18.690 -12.260 533 HB VAL 78 HB VAL 78 0.328 -16.548 -10.208 534 HG11 VAL 78 1HG1 VAL 78 -0.836 -15.431 -12.065 535 HG12 VAL 78 2HG1 VAL 78 0.889 -15.626 -12.382 536 HG13 VAL 78 3HG1 VAL 78 -0.278 -16.696 -13.160 537 HG21 VAL 78 1HG2 VAL 78 -1.171 -18.496 -10.015 538 HG22 VAL 78 2HG2 VAL 78 -2.017 -17.047 -10.557 539 HG23 VAL 78 3HG2 VAL 78 -1.602 -18.311 -11.715 540 H LYS 79 H LYS 79 2.173 -17.321 -13.508 541 HA LYS 79 HA LYS 79 4.846 -16.936 -12.591 542 HB2 LYS 79 2HB LYS 79 3.359 -16.389 -15.124 543 HB3 LYS 79 3HB LYS 79 4.917 -15.611 -14.876 544 HG2 LYS 79 2HG LYS 79 5.664 -18.068 -14.284 545 HG3 LYS 79 3HG LYS 79 4.268 -18.480 -15.282 546 HD2 LYS 79 2HD LYS 79 6.133 -18.424 -16.740 547 HD3 LYS 79 3HD LYS 79 5.229 -16.937 -17.039 548 HE2 LYS 79 2HE LYS 79 7.252 -16.674 -14.950 549 HE3 LYS 79 3HE LYS 79 7.922 -17.106 -16.523 550 HZ1 LYS 79 1HZ LYS 79 6.291 -15.189 -17.273 551 HZ2 LYS 79 2HZ LYS 79 7.867 -14.868 -16.750 552 HZ3 LYS 79 3HZ LYS 79 6.566 -14.660 -15.690 553 H LYS 80 H LYS 80 5.902 -14.701 -13.190 554 HA LYS 80 HA LYS 80 4.991 -12.830 -11.308 555 HB2 LYS 80 2HB LYS 80 7.341 -13.124 -12.330 556 HB3 LYS 80 3HB LYS 80 6.750 -12.108 -13.639 557 HG2 LYS 80 2HG LYS 80 7.552 -10.438 -12.384 558 HG3 LYS 80 3HG LYS 80 6.039 -10.624 -11.494 559 HD2 LYS 80 2HD LYS 80 7.399 -10.836 -9.710 560 HD3 LYS 80 3HD LYS 80 7.577 -12.497 -10.281 561 HE2 LYS 80 2HE LYS 80 9.638 -12.038 -11.306 562 HE3 LYS 80 3HE LYS 80 9.379 -10.295 -11.240 563 HZ1 LYS 80 1HZ LYS 80 9.919 -12.094 -8.942 564 HZ2 LYS 80 2HZ LYS 80 9.526 -10.456 -8.797 565 HZ3 LYS 80 3HZ LYS 80 10.956 -10.916 -9.573 566 H ASP 81 H ASP 81 4.792 -12.812 -14.858 567 HA ASP 81 HA ASP 81 3.466 -10.356 -15.118 568 HB2 ASP 81 2HB ASP 81 3.522 -12.810 -16.874 569 HB3 ASP 81 3HB ASP 81 2.681 -11.333 -17.336 570 H SER 82 H SER 82 2.234 -13.630 -14.644 571 HA SER 82 HA SER 82 0.150 -14.440 -14.202 572 HB2 SER 82 2HB SER 82 -0.435 -11.769 -12.930 573 HB3 SER 82 3HB SER 82 -1.026 -13.362 -12.454 574 HG SER 82 HG SER 82 1.297 -12.089 -11.786 575 H VAL 83 H VAL 83 -0.394 -14.401 -16.469 576 HA VAL 83 HA VAL 83 -2.419 -12.357 -17.118 577 HB VAL 83 HB VAL 83 -0.539 -12.071 -18.596 578 HG11 VAL 83 1HG1 VAL 83 0.333 -14.407 -18.272 579 HG12 VAL 83 2HG1 VAL 83 -0.853 -14.936 -19.467 580 HG13 VAL 83 3HG1 VAL 83 0.412 -13.796 -19.924 581 HG21 VAL 83 1HG2 VAL 83 -2.756 -11.794 -19.571 582 HG22 VAL 83 2HG2 VAL 83 -1.621 -12.423 -20.766 583 HG23 VAL 83 3HG2 VAL 83 -2.790 -13.503 -20.006 584 H PHE 84 H PHE 84 -4.409 -13.139 -17.197 585 HA PHE 84 HA PHE 84 -4.804 -15.912 -18.106 586 HB2 PHE 84 2HB PHE 84 -6.904 -15.072 -16.319 587 HB3 PHE 84 3HB PHE 84 -5.840 -16.470 -16.203 588 HD1 PHE 84 HD1 PHE 84 -6.712 -13.316 -14.816 589 HD2 PHE 84 HD2 PHE 84 -3.509 -16.091 -15.216 590 HE1 PHE 84 HE1 PHE 84 -5.586 -12.290 -12.884 591 HE2 PHE 84 HE2 PHE 84 -2.379 -15.069 -13.284 592 HZ PHE 84 HZ PHE 84 -3.418 -13.167 -12.115 593 H VAL 85 H VAL 85 -6.383 -16.238 -19.578 594 HA VAL 85 HA VAL 85 -7.895 -13.868 -20.449 595 HB VAL 85 HB VAL 85 -6.360 -14.903 -22.119 596 HG11 VAL 85 1HG1 VAL 85 -8.258 -17.164 -22.467 597 HG12 VAL 85 2HG1 VAL 85 -6.540 -17.058 -22.855 598 HG13 VAL 85 3HG1 VAL 85 -7.055 -17.275 -21.182 599 HG21 VAL 85 1HG2 VAL 85 -9.264 -15.148 -22.888 600 HG22 VAL 85 2HG2 VAL 85 -8.408 -13.614 -22.735 601 HG23 VAL 85 3HG2 VAL 85 -7.902 -14.789 -23.949 602 H LEU 86 H LEU 86 -10.097 -13.993 -20.835 603 HA LEU 86 HA LEU 86 -11.439 -16.263 -19.548 604 HB2 LEU 86 2HB LEU 86 -12.095 -14.267 -18.520 605 HB3 LEU 86 3HB LEU 86 -12.223 -13.415 -20.057 606 HG LEU 86 HG LEU 86 -14.092 -15.628 -19.887 607 HD11 LEU 86 1HD1 LEU 86 -15.314 -15.141 -18.042 608 HD12 LEU 86 2HD1 LEU 86 -14.856 -13.438 -18.048 609 HD13 LEU 86 3HD1 LEU 86 -13.732 -14.651 -17.435 610 HD21 LEU 86 1HD2 LEU 86 -15.308 -14.237 -21.143 611 HD22 LEU 86 2HD2 LEU 86 -13.865 -13.225 -21.196 612 HD23 LEU 86 3HD2 LEU 86 -15.125 -12.904 -20.003 613 H VAL 87 H VAL 87 -12.809 -17.568 -20.626 614 HA VAL 87 HA VAL 87 -13.703 -16.811 -23.308 615 HB VAL 87 HB VAL 87 -13.129 -19.093 -24.159 616 HG11 VAL 87 1HG1 VAL 87 -10.548 -17.863 -23.362 617 HG12 VAL 87 2HG1 VAL 87 -11.112 -18.387 -24.950 618 HG13 VAL 87 3HG1 VAL 87 -11.689 -16.867 -24.266 619 HG21 VAL 87 1HG2 VAL 87 -11.466 -19.229 -21.645 620 HG22 VAL 87 2HG2 VAL 87 -12.883 -20.216 -22.003 621 HG23 VAL 87 3HG2 VAL 87 -11.422 -20.385 -22.976 622 H ARG 88 H ARG 88 -15.549 -17.942 -24.041 623 HA ARG 88 HA ARG 88 -17.491 -18.477 -22.135 624 HB2 ARG 88 2HB ARG 88 -18.797 -19.470 -23.979 625 HB3 ARG 88 3HB ARG 88 -18.061 -17.939 -24.432 626 HG2 ARG 88 2HG ARG 88 -17.316 -18.980 -26.244 627 HG3 ARG 88 3HG ARG 88 -16.177 -19.811 -25.182 628 HD2 ARG 88 2HD ARG 88 -17.804 -21.613 -24.860 629 HD3 ARG 88 3HD ARG 88 -18.934 -20.782 -25.927 630 HE ARG 88 HE ARG 88 -17.799 -21.652 -27.700 631 HH11 ARG 88 1HH1 ARG 88 -15.703 -21.687 -24.921 632 HH12 ARG 88 2HH1 ARG 88 -14.424 -22.529 -25.733 633 HH21 ARG 88 1HH2 ARG 88 -16.124 -22.759 -28.781 634 HH22 ARG 88 2HH2 ARG 88 -14.664 -23.137 -27.929 635 H LYS 89 H LYS 89 -17.700 -20.089 -20.744 636 HA LYS 89 HA LYS 89 -16.154 -22.500 -21.002 637 HB2 LYS 89 2HB LYS 89 -16.439 -21.553 -18.803 638 HB3 LYS 89 3HB LYS 89 -18.190 -21.602 -18.959 639 HG2 LYS 89 2HG LYS 89 -17.199 -24.229 -19.366 640 HG3 LYS 89 3HG LYS 89 -16.449 -23.573 -17.909 641 HD2 LYS 89 2HD LYS 89 -19.348 -23.094 -18.215 642 HD3 LYS 89 3HD LYS 89 -18.861 -24.767 -17.934 643 HE2 LYS 89 2HE LYS 89 -17.422 -23.760 -16.026 644 HE3 LYS 89 3HE LYS 89 -18.486 -22.364 -16.187 645 HZ1 LYS 89 1HZ LYS 89 -20.042 -24.704 -16.111 646 HZ2 LYS 89 2HZ LYS 89 -20.018 -23.418 -15.012 647 HZ3 LYS 89 3HZ LYS 89 -18.970 -24.730 -14.802 648 H ALA 90 H ALA 90 -19.501 -21.553 -21.434 649 HA ALA 90 HA ALA 90 -20.044 -24.220 -22.547 650 HB1 ALA 90 1HB ALA 90 -21.324 -24.562 -20.728 651 HB2 ALA 90 2HB ALA 90 -21.453 -22.840 -20.364 652 HB3 ALA 90 3HB ALA 90 -22.485 -23.560 -21.600 Start of MODEL 16 1 H1 MET 10 H MET 10 2.189 2.776 1.743 2 HA MET 10 HA MET 10 1.819 0.530 1.705 3 HB2 MET 10 2HB MET 10 0.841 -0.487 -0.329 4 HB3 MET 10 3HB MET 10 -0.020 0.955 0.191 5 HG2 MET 10 2HG MET 10 0.200 1.784 -1.841 6 HG3 MET 10 3HG MET 10 1.947 1.816 -1.615 7 HE1 MET 10 1HE MET 10 -0.781 -1.177 -3.427 8 HE2 MET 10 2HE MET 10 -1.052 0.501 -2.957 9 HE3 MET 10 3HE MET 10 -0.430 0.125 -4.564 10 H SER 11 H SER 11 2.457 -1.499 0.113 11 HA SER 11 HA SER 11 4.874 -1.205 -1.342 12 HB2 SER 11 2HB SER 11 5.839 -2.841 0.734 13 HB3 SER 11 3HB SER 11 6.384 -1.217 0.314 14 HG SER 11 HG SER 11 4.889 -2.062 2.435 15 H GLU 12 H GLU 12 5.935 -3.454 -1.654 16 HA GLU 12 HA GLU 12 5.743 -5.589 -2.417 17 HB2 GLU 12 2HB GLU 12 4.866 -5.785 0.047 18 HB3 GLU 12 3HB GLU 12 3.307 -6.023 -0.731 19 HG2 GLU 12 2HG GLU 12 3.813 -8.167 -0.903 20 HG3 GLU 12 3HG GLU 12 5.036 -7.720 -2.090 21 H THR 13 H THR 13 4.832 -3.941 -4.201 22 HA THR 13 HA THR 13 2.090 -4.631 -4.926 23 HB THR 13 HB THR 13 3.265 -3.035 -6.948 24 HG1 THR 13 HG1 THR 13 4.307 -1.465 -5.867 25 HG21 THR 13 1HG2 THR 13 1.056 -2.582 -6.608 26 HG22 THR 13 2HG2 THR 13 1.743 -1.287 -5.627 27 HG23 THR 13 3HG2 THR 13 1.174 -2.768 -4.859 28 H ILE 14 H ILE 14 1.528 -5.630 -6.869 29 HA ILE 14 HA ILE 14 3.697 -6.756 -8.484 30 HB ILE 14 HB ILE 14 1.437 -8.396 -7.333 31 HG12 ILE 14 2HG1 ILE 14 3.586 -9.692 -6.503 32 HG13 ILE 14 3HG1 ILE 14 4.342 -8.113 -6.683 33 HG21 ILE 14 1HG2 ILE 14 2.005 -9.009 -9.647 34 HG22 ILE 14 2HG2 ILE 14 3.683 -9.241 -9.158 35 HG23 ILE 14 3HG2 ILE 14 2.420 -10.280 -8.497 36 HD11 ILE 14 1HD1 ILE 14 3.651 -7.720 -4.612 37 HD12 ILE 14 2HD1 ILE 14 2.034 -7.554 -5.297 38 HD13 ILE 14 3HD1 ILE 14 2.554 -9.101 -4.628 39 HA PRO 15 HA PRO 15 1.010 -5.407 -11.729 40 HB2 PRO 15 2HB PRO 15 2.328 -6.596 -13.783 41 HB3 PRO 15 3HB PRO 15 2.920 -5.139 -12.977 42 HG2 PRO 15 2HG PRO 15 3.739 -7.990 -12.577 43 HG3 PRO 15 3HG PRO 15 4.753 -6.539 -12.680 44 HD2 PRO 15 2HD PRO 15 4.103 -7.697 -10.320 45 HD3 PRO 15 3HD PRO 15 4.348 -5.947 -10.490 46 H VAL 16 H VAL 16 -0.529 -6.249 -13.192 47 HA VAL 16 HA VAL 16 -0.873 -9.146 -13.296 48 HB VAL 16 HB VAL 16 -3.151 -7.355 -12.454 49 HG11 VAL 16 1HG1 VAL 16 -3.838 -9.854 -11.720 50 HG12 VAL 16 2HG1 VAL 16 -4.257 -9.142 -13.279 51 HG13 VAL 16 3HG1 VAL 16 -2.857 -10.207 -13.142 52 HG21 VAL 16 1HG2 VAL 16 -1.622 -7.351 -10.631 53 HG22 VAL 16 2HG2 VAL 16 -2.900 -8.499 -10.231 54 HG23 VAL 16 3HG2 VAL 16 -1.332 -9.084 -10.788 55 H SER 17 H SER 17 -2.215 -9.866 -15.001 56 HA SER 17 HA SER 17 -3.215 -7.861 -16.873 57 HB2 SER 17 2HB SER 17 -1.224 -10.004 -17.658 58 HB3 SER 17 3HB SER 17 -2.070 -8.940 -18.782 59 HG SER 17 HG SER 17 -1.060 -7.243 -17.254 60 H VAL 18 H VAL 18 -5.001 -8.501 -17.964 61 HA VAL 18 HA VAL 18 -5.748 -11.339 -17.887 62 HB VAL 18 HB VAL 18 -7.725 -9.147 -17.273 63 HG11 VAL 18 1HG1 VAL 18 -8.913 -11.243 -16.303 64 HG12 VAL 18 2HG1 VAL 18 -8.933 -10.964 -18.045 65 HG13 VAL 18 3HG1 VAL 18 -7.811 -12.135 -17.351 66 HG21 VAL 18 1HG2 VAL 18 -5.819 -10.535 -15.517 67 HG22 VAL 18 2HG2 VAL 18 -6.649 -8.994 -15.300 68 HG23 VAL 18 3HG2 VAL 18 -7.486 -10.504 -14.943 69 H GLN 19 H GLN 19 -6.789 -12.078 -19.676 70 HA GLN 19 HA GLN 19 -7.212 -10.126 -21.836 71 HB2 GLN 19 2HB GLN 19 -5.687 -12.438 -21.815 72 HB3 GLN 19 3HB GLN 19 -7.163 -12.931 -22.634 73 HG2 GLN 19 2HG GLN 19 -6.865 -11.393 -24.359 74 HG3 GLN 19 3HG GLN 19 -5.701 -10.446 -23.435 75 HE21 GLN 19 1HE2 GLN 19 -3.581 -10.968 -23.509 76 HE22 GLN 19 2HE2 GLN 19 -2.931 -12.248 -24.469 77 H CYS 20 H CYS 20 -9.147 -9.980 -22.849 78 HA CYS 20 HA CYS 20 -11.229 -11.932 -22.160 79 HB2 CYS 20 2HB CYS 20 -11.275 -9.706 -20.804 80 HB3 CYS 20 3HB CYS 20 -11.887 -9.006 -22.298 81 HG CYS 20 HG CYS 20 -14.276 -9.406 -21.382 82 H CYS 21 H CYS 21 -12.883 -12.174 -23.701 83 HA CYS 21 HA CYS 21 -12.110 -12.027 -26.368 84 HB2 CYS 21 2HB CYS 21 -14.849 -12.286 -25.123 85 HB3 CYS 21 3HB CYS 21 -14.564 -12.425 -26.854 86 HG CYS 21 HG CYS 21 -14.019 -14.645 -24.417 87 H GLU 22 H GLU 22 -13.585 -9.648 -24.340 88 HA GLU 22 HA GLU 22 -14.467 -7.993 -26.546 89 HB2 GLU 22 2HB GLU 22 -15.536 -8.198 -24.183 90 HB3 GLU 22 3HB GLU 22 -14.279 -7.069 -23.697 91 HG2 GLU 22 2HG GLU 22 -16.055 -5.679 -24.162 92 HG3 GLU 22 3HG GLU 22 -15.129 -5.630 -25.661 93 H GLY 23 H GLY 23 -11.654 -8.385 -24.593 94 HA2 GLY 23 2HA GLY 23 -9.902 -6.969 -26.107 95 HA3 GLY 23 3HA GLY 23 -10.604 -5.740 -25.066 96 H ARG 24 H ARG 24 -8.197 -5.666 -24.530 97 HA ARG 24 HA ARG 24 -7.539 -7.660 -22.469 98 HB2 ARG 24 2HB ARG 24 -5.934 -7.396 -24.361 99 HB3 ARG 24 3HB ARG 24 -5.680 -5.728 -23.864 100 HG2 ARG 24 2HG ARG 24 -4.670 -6.393 -21.827 101 HG3 ARG 24 3HG ARG 24 -5.172 -8.070 -22.051 102 HD2 ARG 24 2HD ARG 24 -3.235 -8.476 -23.057 103 HD3 ARG 24 3HD ARG 24 -3.704 -7.364 -24.343 104 HE ARG 24 HE ARG 24 -2.731 -5.730 -22.408 105 HH11 ARG 24 1HH1 ARG 24 -1.489 -8.537 -24.050 106 HH12 ARG 24 2HH1 ARG 24 0.166 -8.039 -23.927 107 HH21 ARG 24 1HH2 ARG 24 -0.556 -5.063 -22.240 108 HH22 ARG 24 2HH2 ARG 24 0.695 -6.062 -22.897 109 H PHE 25 H PHE 25 -7.088 -7.048 -20.401 110 HA PHE 25 HA PHE 25 -7.094 -4.187 -19.764 111 HB2 PHE 25 2HB PHE 25 -9.401 -5.249 -19.475 112 HB3 PHE 25 3HB PHE 25 -8.696 -6.162 -18.145 113 HD1 PHE 25 HD1 PHE 25 -9.224 -5.333 -16.084 114 HD2 PHE 25 HD2 PHE 25 -8.613 -2.609 -19.297 115 HE1 PHE 25 HE1 PHE 25 -9.651 -3.447 -14.562 116 HE2 PHE 25 HE2 PHE 25 -9.037 -0.719 -17.780 117 HZ PHE 25 HZ PHE 25 -9.556 -1.137 -15.409 118 H GLU 26 H GLU 26 -5.597 -3.626 -18.307 119 HA GLU 26 HA GLU 26 -4.219 -5.795 -16.868 120 HB2 GLU 26 2HB GLU 26 -2.205 -4.546 -16.978 121 HB3 GLU 26 3HB GLU 26 -2.907 -4.485 -18.589 122 HG2 GLU 26 2HG GLU 26 -3.828 -2.250 -18.051 123 HG3 GLU 26 3HG GLU 26 -2.981 -2.315 -16.507 124 H LEU 27 H LEU 27 -3.536 -5.422 -14.714 125 HA LEU 27 HA LEU 27 -4.480 -3.045 -13.343 126 HB2 LEU 27 2HB LEU 27 -6.144 -5.234 -13.463 127 HB3 LEU 27 3HB LEU 27 -5.317 -5.449 -11.922 128 HG LEU 27 HG LEU 27 -6.030 -2.962 -11.527 129 HD11 LEU 27 1HD1 LEU 27 -7.469 -2.037 -12.942 130 HD12 LEU 27 2HD1 LEU 27 -8.505 -3.463 -12.922 131 HD13 LEU 27 3HD1 LEU 27 -7.146 -3.378 -14.042 132 HD21 LEU 27 1HD2 LEU 27 -8.367 -4.760 -11.373 133 HD22 LEU 27 2HD2 LEU 27 -7.598 -3.783 -10.122 134 HD23 LEU 27 3HD2 LEU 27 -6.889 -5.328 -10.596 135 H SER 28 H SER 28 -3.907 -3.182 -10.949 136 HA SER 28 HA SER 28 -1.487 -4.802 -10.537 137 HB2 SER 28 2HB SER 28 -0.490 -2.745 -10.981 138 HB3 SER 28 3HB SER 28 -1.814 -1.833 -10.256 139 HG SER 28 HG SER 28 -0.695 -1.827 -8.492 140 H VAL 29 H VAL 29 -1.602 -5.968 -8.745 141 HA VAL 29 HA VAL 29 -2.930 -4.897 -6.380 142 HB VAL 29 HB VAL 29 -4.314 -6.826 -6.012 143 HG11 VAL 29 1HG1 VAL 29 -5.335 -5.091 -7.331 144 HG12 VAL 29 2HG1 VAL 29 -4.631 -5.746 -8.810 145 HG13 VAL 29 3HG1 VAL 29 -5.865 -6.658 -7.939 146 HG21 VAL 29 1HG2 VAL 29 -3.424 -8.742 -6.799 147 HG22 VAL 29 2HG2 VAL 29 -4.410 -8.382 -8.217 148 HG23 VAL 29 3HG2 VAL 29 -2.699 -7.955 -8.201 149 H ASP 30 H ASP 30 -2.475 -6.151 -4.435 150 HA ASP 30 HA ASP 30 0.212 -7.278 -4.548 151 HB2 ASP 30 2HB ASP 30 -1.535 -6.444 -2.225 152 HB3 ASP 30 3HB ASP 30 0.073 -7.141 -2.047 153 H SER 31 H SER 31 0.742 -9.340 -3.965 154 HA SER 31 HA SER 31 -1.399 -11.280 -4.046 155 HB2 SER 31 2HB SER 31 1.400 -11.256 -4.657 156 HB3 SER 31 3HB SER 31 1.082 -12.551 -3.503 157 HG SER 31 HG SER 31 0.805 -13.220 -5.685 158 H ASN 32 H ASN 32 -2.260 -12.333 -2.370 159 HA ASN 32 HA ASN 32 -0.935 -13.012 0.006 160 HB2 ASN 32 2HB ASN 32 -1.962 -11.475 1.600 161 HB3 ASN 32 3HB ASN 32 -1.005 -10.579 0.424 162 HD21 ASN 32 1HD2 ASN 32 -2.248 -9.747 -1.474 163 HD22 ASN 32 2HD2 ASN 32 -3.823 -9.107 -1.165 164 H HIS 33 H HIS 33 -4.050 -12.097 -1.402 165 HA HIS 33 HA HIS 33 -5.411 -14.136 0.182 166 HB2 HIS 33 2HB HIS 33 -6.218 -11.719 -1.283 167 HB3 HIS 33 3HB HIS 33 -7.328 -13.074 -1.463 168 HD1 HIS 33 HD1 HIS 33 -7.740 -14.247 1.134 169 HD2 HIS 33 HD2 HIS 33 -6.991 -10.176 0.780 170 HE1 HIS 33 HE1 HIS 33 -8.621 -13.215 3.251 171 H THR 34 H THR 34 -7.166 -15.377 -1.114 172 HA THR 34 HA THR 34 -5.786 -16.986 -3.033 173 HB THR 34 HB THR 34 -7.716 -18.385 -3.070 174 HG1 THR 34 HG1 THR 34 -9.180 -16.415 -1.638 175 HG21 THR 34 1HG2 THR 34 -6.460 -18.548 -1.009 176 HG22 THR 34 2HG2 THR 34 -8.179 -18.721 -0.655 177 HG23 THR 34 3HG2 THR 34 -7.358 -17.198 -0.316 178 H LEU 35 H LEU 35 -7.177 -17.671 -5.056 179 HA LEU 35 HA LEU 35 -7.067 -15.626 -6.909 180 HB2 LEU 35 2HB LEU 35 -7.355 -18.227 -7.143 181 HB3 LEU 35 3HB LEU 35 -9.062 -17.811 -7.272 182 HG LEU 35 HG LEU 35 -7.415 -16.210 -9.047 183 HD11 LEU 35 1HD1 LEU 35 -5.945 -17.834 -9.576 184 HD12 LEU 35 2HD1 LEU 35 -7.287 -18.439 -10.546 185 HD13 LEU 35 3HD1 LEU 35 -6.974 -19.122 -8.950 186 HD21 LEU 35 1HD2 LEU 35 -9.798 -16.323 -9.278 187 HD22 LEU 35 2HD2 LEU 35 -9.751 -18.082 -9.407 188 HD23 LEU 35 3HD2 LEU 35 -9.066 -17.084 -10.691 189 H ARG 36 H ARG 36 -9.626 -16.469 -4.715 190 HA ARG 36 HA ARG 36 -11.815 -15.266 -5.933 191 HB2 ARG 36 2HB ARG 36 -11.140 -16.252 -3.318 192 HB3 ARG 36 3HB ARG 36 -12.025 -14.741 -3.168 193 HG2 ARG 36 2HG ARG 36 -13.067 -16.837 -5.005 194 HG3 ARG 36 3HG ARG 36 -13.277 -17.036 -3.264 195 HD2 ARG 36 2HD ARG 36 -14.944 -15.566 -3.244 196 HD3 ARG 36 3HD ARG 36 -13.941 -14.353 -4.040 197 HE ARG 36 HE ARG 36 -14.993 -14.837 -6.012 198 HH11 ARG 36 1HH1 ARG 36 -15.594 -17.410 -3.745 199 HH12 ARG 36 2HH1 ARG 36 -16.741 -18.215 -4.764 200 HH21 ARG 36 1HH2 ARG 36 -16.502 -15.888 -7.362 201 HH22 ARG 36 2HH2 ARG 36 -17.256 -17.349 -6.821 202 H ASP 37 H ASP 37 -9.096 -13.847 -4.285 203 HA ASP 37 HA ASP 37 -10.231 -11.274 -3.867 204 HB2 ASP 37 2HB ASP 37 -8.362 -11.738 -2.529 205 HB3 ASP 37 3HB ASP 37 -7.424 -12.348 -3.890 206 H VAL 38 H VAL 38 -8.043 -12.568 -6.357 207 HA VAL 38 HA VAL 38 -7.991 -10.152 -7.870 208 HB VAL 38 HB VAL 38 -6.156 -11.722 -8.056 209 HG11 VAL 38 1HG1 VAL 38 -7.305 -13.802 -7.674 210 HG12 VAL 38 2HG1 VAL 38 -8.213 -13.622 -9.176 211 HG13 VAL 38 3HG1 VAL 38 -6.470 -13.887 -9.225 212 HG21 VAL 38 1HG2 VAL 38 -5.764 -11.291 -10.236 213 HG22 VAL 38 2HG2 VAL 38 -7.281 -12.017 -10.764 214 HG23 VAL 38 3HG2 VAL 38 -7.268 -10.378 -10.115 215 H LEU 39 H LEU 39 -9.996 -13.015 -7.868 216 HA LEU 39 HA LEU 39 -11.210 -12.574 -10.403 217 HB2 LEU 39 2HB LEU 39 -11.203 -14.764 -9.359 218 HB3 LEU 39 3HB LEU 39 -12.153 -14.145 -8.010 219 HG LEU 39 HG LEU 39 -13.542 -13.679 -10.482 220 HD11 LEU 39 1HD1 LEU 39 -12.387 -15.527 -11.435 221 HD12 LEU 39 2HD1 LEU 39 -13.994 -16.091 -10.979 222 HD13 LEU 39 3HD1 LEU 39 -12.601 -16.494 -9.975 223 HD21 LEU 39 1HD2 LEU 39 -14.440 -15.689 -8.495 224 HD22 LEU 39 2HD2 LEU 39 -15.332 -14.376 -9.266 225 HD23 LEU 39 3HD2 LEU 39 -14.224 -14.030 -7.937 226 H ARG 40 H ARG 40 -11.962 -11.595 -7.111 227 HA ARG 40 HA ARG 40 -14.551 -10.568 -7.671 228 HB2 ARG 40 2HB ARG 40 -12.664 -10.532 -5.404 229 HB3 ARG 40 3HB ARG 40 -13.755 -9.156 -5.486 230 HG2 ARG 40 2HG ARG 40 -15.491 -11.183 -5.896 231 HG3 ARG 40 3HG ARG 40 -14.303 -11.970 -4.854 232 HD2 ARG 40 2HD ARG 40 -15.382 -11.038 -3.140 233 HD3 ARG 40 3HD ARG 40 -14.683 -9.507 -3.665 234 HE ARG 40 HE ARG 40 -16.772 -8.842 -4.281 235 HH11 ARG 40 1HH1 ARG 40 -16.712 -12.321 -4.163 236 HH12 ARG 40 2HH1 ARG 40 -18.405 -12.491 -4.490 237 HH21 ARG 40 1HH2 ARG 40 -19.002 -9.053 -4.711 238 HH22 ARG 40 2HH2 ARG 40 -19.706 -10.632 -4.802 239 H GLN 41 H GLN 41 -11.346 -9.063 -7.412 240 HA GLN 41 HA GLN 41 -12.226 -6.419 -7.889 241 HB2 GLN 41 2HB GLN 41 -9.885 -7.505 -7.083 242 HB3 GLN 41 3HB GLN 41 -9.496 -7.148 -8.760 243 HG2 GLN 41 2HG GLN 41 -9.521 -4.916 -8.438 244 HG3 GLN 41 3HG GLN 41 -10.809 -4.992 -7.237 245 HE21 GLN 41 1HE2 GLN 41 -7.705 -6.673 -7.305 246 HE22 GLN 41 2HE2 GLN 41 -7.099 -5.986 -5.840 247 H PHE 42 H PHE 42 -10.809 -8.873 -10.036 248 HA PHE 42 HA PHE 42 -10.844 -7.311 -12.373 249 HB2 PHE 42 2HB PHE 42 -9.496 -9.216 -12.499 250 HB3 PHE 42 3HB PHE 42 -10.749 -10.264 -11.843 251 HD1 PHE 42 HD1 PHE 42 -12.145 -11.479 -13.257 252 HD2 PHE 42 HD2 PHE 42 -9.834 -8.270 -14.832 253 HE1 PHE 42 HE1 PHE 42 -12.789 -12.140 -15.538 254 HE2 PHE 42 HE2 PHE 42 -10.475 -8.926 -17.116 255 HZ PHE 42 HZ PHE 42 -11.954 -10.862 -17.471 256 H LYS 43 H LYS 43 -13.262 -9.381 -10.882 257 HA LYS 43 HA LYS 43 -15.084 -9.348 -13.066 258 HB2 LYS 43 2HB LYS 43 -15.127 -11.070 -11.294 259 HB3 LYS 43 3HB LYS 43 -15.619 -9.847 -10.131 260 HG2 LYS 43 2HG LYS 43 -17.364 -9.880 -12.435 261 HG3 LYS 43 3HG LYS 43 -17.276 -11.461 -11.655 262 HD2 LYS 43 2HD LYS 43 -17.557 -9.994 -9.470 263 HD3 LYS 43 3HD LYS 43 -18.305 -8.872 -10.609 264 HE2 LYS 43 2HE LYS 43 -19.265 -11.533 -11.082 265 HE3 LYS 43 3HE LYS 43 -19.464 -11.121 -9.379 266 HZ1 LYS 43 1HZ LYS 43 -20.478 -9.576 -11.703 267 HZ2 LYS 43 2HZ LYS 43 -20.580 -9.061 -10.096 268 HZ3 LYS 43 3HZ LYS 43 -21.403 -10.453 -10.591 269 H ARG 44 H ARG 44 -14.463 -7.220 -10.378 270 HA ARG 44 HA ARG 44 -16.914 -5.774 -10.520 271 HB2 ARG 44 2HB ARG 44 -14.316 -5.473 -9.121 272 HB3 ARG 44 3HB ARG 44 -15.254 -4.004 -9.358 273 HG2 ARG 44 2HG ARG 44 -17.202 -5.242 -8.321 274 HG3 ARG 44 3HG ARG 44 -16.035 -6.481 -7.854 275 HD2 ARG 44 2HD ARG 44 -16.259 -5.035 -5.993 276 HD3 ARG 44 3HD ARG 44 -14.710 -4.650 -6.742 277 HE ARG 44 HE ARG 44 -16.683 -2.960 -7.803 278 HH11 ARG 44 1HH1 ARG 44 -14.967 -3.539 -4.830 279 HH12 ARG 44 2HH1 ARG 44 -15.084 -1.897 -4.290 280 HH21 ARG 44 1HH2 ARG 44 -16.843 -0.794 -7.103 281 HH22 ARG 44 2HH2 ARG 44 -16.152 -0.337 -5.583 282 H GLU 45 H GLU 45 -13.931 -5.665 -12.265 283 HA GLU 45 HA GLU 45 -14.591 -3.061 -13.430 284 HB2 GLU 45 2HB GLU 45 -12.128 -4.620 -13.062 285 HB3 GLU 45 3HB GLU 45 -12.260 -3.844 -14.634 286 HG2 GLU 45 2HG GLU 45 -12.650 -2.365 -12.050 287 HG3 GLU 45 3HG GLU 45 -11.080 -2.537 -12.833 288 H VAL 46 H VAL 46 -14.156 -6.449 -14.287 289 HA VAL 46 HA VAL 46 -14.290 -6.255 -17.062 290 HB VAL 46 HB VAL 46 -13.876 -8.325 -15.537 291 HG11 VAL 46 1HG1 VAL 46 -16.323 -8.049 -14.678 292 HG12 VAL 46 2HG1 VAL 46 -16.734 -8.938 -16.146 293 HG13 VAL 46 3HG1 VAL 46 -15.660 -9.660 -14.948 294 HG21 VAL 46 1HG2 VAL 46 -13.571 -8.509 -17.870 295 HG22 VAL 46 2HG2 VAL 46 -14.656 -9.826 -17.427 296 HG23 VAL 46 3HG2 VAL 46 -15.301 -8.371 -18.185 297 H ALA 47 H ALA 47 -16.762 -5.882 -14.672 298 HA ALA 47 HA ALA 47 -19.001 -6.368 -16.365 299 HB1 ALA 47 1HB ALA 47 -18.553 -5.409 -13.629 300 HB2 ALA 47 2HB ALA 47 -19.995 -4.763 -14.415 301 HB3 ALA 47 3HB ALA 47 -19.780 -6.506 -14.264 302 H ALA 48 H ALA 48 -16.795 -3.807 -16.125 303 HA ALA 48 HA ALA 48 -18.439 -1.602 -16.747 304 HB1 ALA 48 1HB ALA 48 -15.509 -2.100 -17.230 305 HB2 ALA 48 2HB ALA 48 -16.306 -0.559 -17.549 306 HB3 ALA 48 3HB ALA 48 -16.248 -1.199 -15.907 307 H LEU 49 H LEU 49 -16.787 -3.981 -18.758 308 HA LEU 49 HA LEU 49 -18.061 -2.784 -21.129 309 HB2 LEU 49 2HB LEU 49 -16.283 -4.282 -22.311 310 HB3 LEU 49 3HB LEU 49 -15.835 -2.712 -21.649 311 HG LEU 49 HG LEU 49 -15.474 -5.040 -19.862 312 HD11 LEU 49 1HD1 LEU 49 -14.450 -5.079 -22.527 313 HD12 LEU 49 2HD1 LEU 49 -14.216 -6.247 -21.227 314 HD13 LEU 49 3HD1 LEU 49 -13.116 -4.879 -21.390 315 HD21 LEU 49 1HD2 LEU 49 -13.313 -3.122 -20.399 316 HD22 LEU 49 2HD2 LEU 49 -13.972 -3.695 -18.867 317 HD23 LEU 49 3HD2 LEU 49 -14.800 -2.419 -19.762 318 H ASP 50 H ASP 50 -17.774 -5.596 -19.153 319 HA ASP 50 HA ASP 50 -19.219 -7.235 -21.108 320 HB2 ASP 50 2HB ASP 50 -17.113 -7.918 -19.576 321 HB3 ASP 50 3HB ASP 50 -18.421 -8.381 -18.491 322 HA PRO 51 HA PRO 51 -22.839 -5.987 -18.714 323 HB2 PRO 51 2HB PRO 51 -24.627 -6.851 -20.566 324 HB3 PRO 51 3HB PRO 51 -23.782 -5.303 -20.695 325 HG2 PRO 51 2HG PRO 51 -23.175 -7.910 -22.035 326 HG3 PRO 51 3HG PRO 51 -23.163 -6.272 -22.716 327 HD2 PRO 51 2HD PRO 51 -20.899 -7.554 -21.967 328 HD3 PRO 51 3HD PRO 51 -21.081 -5.792 -21.852 329 H ILE 52 H ILE 52 -21.803 -9.060 -19.869 330 HA ILE 52 HA ILE 52 -23.938 -10.496 -18.497 331 HB ILE 52 HB ILE 52 -21.569 -11.642 -19.977 332 HG12 ILE 52 2HG1 ILE 52 -24.011 -11.975 -21.402 333 HG13 ILE 52 3HG1 ILE 52 -23.862 -10.270 -20.988 334 HG21 ILE 52 1HG2 ILE 52 -22.521 -13.246 -18.486 335 HG22 ILE 52 2HG2 ILE 52 -24.156 -12.840 -19.006 336 HG23 ILE 52 3HG2 ILE 52 -23.052 -13.647 -20.119 337 HD11 ILE 52 1HD1 ILE 52 -21.546 -11.709 -22.192 338 HD12 ILE 52 2HD1 ILE 52 -22.875 -11.155 -23.211 339 HD13 ILE 52 3HD1 ILE 52 -21.959 -9.996 -22.248 340 H ASN 53 H ASN 53 -23.610 -11.883 -16.759 341 HA ASN 53 HA ASN 53 -21.657 -11.082 -14.877 342 HB2 ASN 53 2HB ASN 53 -24.032 -12.493 -14.780 343 HB3 ASN 53 3HB ASN 53 -22.829 -13.717 -14.387 344 HD21 ASN 53 1HD2 ASN 53 -24.693 -12.964 -12.548 345 HD22 ASN 53 2HD2 ASN 53 -23.934 -12.086 -11.269 346 H LEU 54 H LEU 54 -19.632 -11.741 -14.580 347 HA LEU 54 HA LEU 54 -18.379 -13.545 -16.363 348 HB2 LEU 54 2HB LEU 54 -17.032 -11.841 -15.482 349 HB3 LEU 54 3HB LEU 54 -17.519 -12.195 -13.826 350 HG LEU 54 HG LEU 54 -16.204 -14.256 -13.876 351 HD11 LEU 54 1HD1 LEU 54 -15.916 -15.158 -15.904 352 HD12 LEU 54 2HD1 LEU 54 -14.521 -14.085 -16.009 353 HD13 LEU 54 3HD1 LEU 54 -16.058 -13.603 -16.726 354 HD21 LEU 54 1HD2 LEU 54 -15.123 -12.266 -13.059 355 HD22 LEU 54 2HD2 LEU 54 -14.708 -11.770 -14.699 356 HD23 LEU 54 3HD2 LEU 54 -13.963 -13.206 -13.997 357 H GLU 55 H GLU 55 -19.975 -13.957 -13.332 358 HA GLU 55 HA GLU 55 -18.756 -16.288 -12.390 359 HB2 GLU 55 2HB GLU 55 -20.437 -14.851 -11.173 360 HB3 GLU 55 3HB GLU 55 -21.690 -15.622 -12.137 361 HG2 GLU 55 2HG GLU 55 -21.562 -17.576 -11.004 362 HG3 GLU 55 3HG GLU 55 -19.837 -17.406 -10.684 363 H GLU 56 H GLU 56 -20.936 -15.777 -15.025 364 HA GLU 56 HA GLU 56 -21.614 -18.594 -15.250 365 HB2 GLU 56 2HB GLU 56 -22.271 -16.424 -17.235 366 HB3 GLU 56 3HB GLU 56 -23.089 -17.963 -17.001 367 HG2 GLU 56 2HG GLU 56 -23.641 -17.077 -14.655 368 HG3 GLU 56 3HG GLU 56 -23.200 -15.500 -15.307 369 H TYR 57 H TYR 57 -18.890 -17.067 -15.809 370 HA TYR 57 HA TYR 57 -18.293 -18.621 -18.237 371 HB2 TYR 57 2HB TYR 57 -17.439 -15.809 -17.559 372 HB3 TYR 57 3HB TYR 57 -16.607 -16.782 -18.767 373 HD1 TYR 57 HD1 TYR 57 -17.221 -16.432 -20.956 374 HD2 TYR 57 HD2 TYR 57 -20.122 -15.827 -17.904 375 HE1 TYR 57 HE1 TYR 57 -18.852 -15.726 -22.656 376 HE2 TYR 57 HE2 TYR 57 -21.762 -15.120 -19.595 377 HH TYR 57 HH TYR 57 -22.202 -15.251 -21.901 378 H VAL 58 H VAL 58 -15.936 -19.074 -18.484 379 HA VAL 58 HA VAL 58 -14.714 -19.550 -15.844 380 HB VAL 58 HB VAL 58 -14.386 -21.157 -18.382 381 HG11 VAL 58 1HG1 VAL 58 -12.324 -21.209 -17.189 382 HG12 VAL 58 2HG1 VAL 58 -13.152 -21.460 -15.651 383 HG13 VAL 58 3HG1 VAL 58 -13.154 -22.733 -16.872 384 HG21 VAL 58 1HG2 VAL 58 -16.368 -21.240 -16.358 385 HG22 VAL 58 2HG2 VAL 58 -16.146 -22.339 -17.720 386 HG23 VAL 58 3HG2 VAL 58 -15.355 -22.673 -16.179 387 H VAL 59 H VAL 59 -12.545 -19.124 -15.546 388 HA VAL 59 HA VAL 59 -11.129 -17.826 -17.776 389 HB VAL 59 HB VAL 59 -11.978 -16.097 -16.242 390 HG11 VAL 59 1HG1 VAL 59 -11.797 -17.706 -14.230 391 HG12 VAL 59 2HG1 VAL 59 -10.131 -17.132 -14.123 392 HG13 VAL 59 3HG1 VAL 59 -11.469 -15.992 -13.978 393 HG21 VAL 59 1HG2 VAL 59 -9.012 -16.550 -16.388 394 HG22 VAL 59 2HG2 VAL 59 -10.013 -15.491 -17.381 395 HG23 VAL 59 3HG2 VAL 59 -9.703 -15.083 -15.694 396 H ASN 60 H ASN 60 -9.053 -18.422 -18.050 397 HA ASN 60 HA ASN 60 -7.979 -20.413 -16.190 398 HB2 ASN 60 2HB ASN 60 -6.395 -20.947 -18.021 399 HB3 ASN 60 3HB ASN 60 -8.077 -21.105 -18.519 400 HD21 ASN 60 1HD2 ASN 60 -5.319 -18.910 -18.576 401 HD22 ASN 60 2HD2 ASN 60 -5.733 -18.142 -20.067 402 H HIS 61 H HIS 61 -5.993 -20.208 -15.209 403 HA HIS 61 HA HIS 61 -4.797 -17.520 -15.323 404 HB2 HIS 61 2HB HIS 61 -5.281 -19.433 -13.100 405 HB3 HIS 61 3HB HIS 61 -3.802 -18.479 -13.027 406 HD1 HIS 61 HD1 HIS 61 -4.209 -16.606 -11.474 407 HD2 HIS 61 HD2 HIS 61 -7.494 -17.323 -13.914 408 HE1 HIS 61 HE1 HIS 61 -5.883 -14.822 -10.890 409 H GLU 62 H GLU 62 -2.900 -17.398 -16.309 410 HA GLU 62 HA GLU 62 -0.870 -17.941 -17.179 411 HB2 GLU 62 2HB GLU 62 -0.924 -19.585 -14.667 412 HB3 GLU 62 3HB GLU 62 0.437 -19.692 -15.774 413 HG2 GLU 62 2HG GLU 62 -0.535 -17.240 -14.329 414 HG3 GLU 62 3HG GLU 62 0.957 -18.132 -14.036 415 H GLY 63 H GLY 63 -3.113 -19.243 -18.296 416 HA2 GLY 63 2HA GLY 63 -3.466 -20.842 -19.918 417 HA3 GLY 63 3HA GLY 63 -1.794 -21.343 -19.715 418 H LYS 64 H LYS 64 -3.524 -21.292 -16.804 419 HA LYS 64 HA LYS 64 -4.029 -24.189 -17.000 420 HB2 LYS 64 2HB LYS 64 -2.095 -23.134 -15.459 421 HB3 LYS 64 3HB LYS 64 -3.445 -23.010 -14.340 422 HG2 LYS 64 2HG LYS 64 -3.858 -25.410 -14.574 423 HG3 LYS 64 3HG LYS 64 -2.492 -25.530 -15.686 424 HD2 LYS 64 2HD LYS 64 -0.957 -24.873 -13.954 425 HD3 LYS 64 3HD LYS 64 -2.288 -24.543 -12.843 426 HE2 LYS 64 2HE LYS 64 -2.406 -26.681 -12.226 427 HE3 LYS 64 3HE LYS 64 -2.429 -27.231 -13.900 428 HZ1 LYS 64 1HZ LYS 64 -0.261 -27.183 -12.031 429 HZ2 LYS 64 2HZ LYS 64 0.149 -26.457 -13.502 430 HZ3 LYS 64 3HZ LYS 64 -0.420 -28.050 -13.475 431 H LEU 65 H LEU 65 -6.059 -24.787 -16.626 432 HA LEU 65 HA LEU 65 -7.958 -22.818 -15.640 433 HB2 LEU 65 2HB LEU 65 -8.126 -25.407 -17.090 434 HB3 LEU 65 3HB LEU 65 -9.515 -24.908 -16.126 435 HG LEU 65 HG LEU 65 -8.962 -22.660 -17.612 436 HD11 LEU 65 1HD1 LEU 65 -8.560 -23.271 -19.848 437 HD12 LEU 65 2HD1 LEU 65 -8.757 -24.988 -19.500 438 HD13 LEU 65 3HD1 LEU 65 -7.341 -24.124 -18.901 439 HD21 LEU 65 1HD2 LEU 65 -11.173 -23.432 -17.203 440 HD22 LEU 65 2HD2 LEU 65 -10.879 -24.935 -18.077 441 HD23 LEU 65 3HD2 LEU 65 -10.949 -23.405 -18.952 442 H LEU 66 H LEU 66 -8.341 -22.672 -13.538 443 HA LEU 66 HA LEU 66 -7.850 -24.962 -11.802 444 HB2 LEU 66 2HB LEU 66 -8.236 -22.032 -11.379 445 HB3 LEU 66 3HB LEU 66 -8.498 -23.145 -10.038 446 HG LEU 66 HG LEU 66 -6.267 -22.177 -9.957 447 HD11 LEU 66 1HD1 LEU 66 -6.873 -24.970 -10.010 448 HD12 LEU 66 2HD1 LEU 66 -5.707 -24.101 -9.012 449 HD13 LEU 66 3HD1 LEU 66 -5.229 -24.712 -10.596 450 HD21 LEU 66 1HD2 LEU 66 -6.301 -22.211 -12.652 451 HD22 LEU 66 2HD2 LEU 66 -5.314 -23.637 -12.333 452 HD23 LEU 66 3HD2 LEU 66 -4.829 -22.068 -11.690 453 H LEU 67 H LEU 67 -9.406 -25.638 -10.215 454 HA LEU 67 HA LEU 67 -12.075 -25.747 -11.297 455 HB2 LEU 67 2HB LEU 67 -10.489 -27.358 -9.627 456 HB3 LEU 67 3HB LEU 67 -11.870 -26.852 -8.657 457 HG LEU 67 HG LEU 67 -13.385 -27.774 -10.361 458 HD11 LEU 67 1HD1 LEU 67 -12.658 -28.152 -12.419 459 HD12 LEU 67 2HD1 LEU 67 -11.637 -29.451 -11.803 460 HD13 LEU 67 3HD1 LEU 67 -10.999 -27.811 -11.926 461 HD21 LEU 67 1HD2 LEU 67 -12.756 -30.190 -10.006 462 HD22 LEU 67 2HD2 LEU 67 -12.888 -29.211 -8.545 463 HD23 LEU 67 3HD2 LEU 67 -11.299 -29.607 -9.202 464 H ASP 68 H ASP 68 -10.843 -24.926 -8.049 465 HA ASP 68 HA ASP 68 -13.142 -23.118 -7.733 466 HB2 ASP 68 2HB ASP 68 -11.700 -24.920 -5.908 467 HB3 ASP 68 3HB ASP 68 -12.049 -23.331 -5.233 468 H ASP 69 H ASP 69 -12.531 -21.323 -6.004 469 HA ASP 69 HA ASP 69 -10.150 -19.974 -7.081 470 HB2 ASP 69 2HB ASP 69 -12.463 -18.689 -5.621 471 HB3 ASP 69 3HB ASP 69 -11.201 -17.885 -6.551 472 H SER 70 H SER 70 -10.208 -21.961 -4.885 473 HA SER 70 HA SER 70 -9.666 -20.419 -2.491 474 HB2 SER 70 2HB SER 70 -9.621 -22.453 -1.342 475 HB3 SER 70 3HB SER 70 -10.773 -22.773 -2.639 476 HG SER 70 HG SER 70 -9.327 -24.466 -2.564 477 H VAL 71 H VAL 71 -7.911 -21.920 -5.080 478 HA VAL 71 HA VAL 71 -5.378 -22.058 -3.796 479 HB VAL 71 HB VAL 71 -4.453 -22.298 -6.073 480 HG11 VAL 71 1HG1 VAL 71 -6.546 -24.149 -6.520 481 HG12 VAL 71 2HG1 VAL 71 -4.964 -24.440 -5.794 482 HG13 VAL 71 3HG1 VAL 71 -6.335 -23.996 -4.776 483 HG21 VAL 71 1HG2 VAL 71 -6.044 -22.404 -7.981 484 HG22 VAL 71 2HG2 VAL 71 -7.295 -21.753 -6.922 485 HG23 VAL 71 3HG2 VAL 71 -5.868 -20.788 -7.298 486 H THR 72 H THR 72 -3.765 -20.596 -3.635 487 HA THR 72 HA THR 72 -4.401 -17.832 -4.202 488 HB THR 72 HB THR 72 -2.579 -17.235 -2.863 489 HG1 THR 72 HG1 THR 72 -0.939 -18.881 -2.333 490 HG21 THR 72 1HG2 THR 72 -4.436 -18.847 -1.827 491 HG22 THR 72 2HG2 THR 72 -3.098 -18.213 -0.869 492 HG23 THR 72 3HG2 THR 72 -3.017 -19.848 -1.526 493 H LEU 73 H LEU 73 -2.573 -16.433 -5.103 494 HA LEU 73 HA LEU 73 -2.140 -17.049 -7.771 495 HB2 LEU 73 2HB LEU 73 -1.086 -15.055 -5.866 496 HB3 LEU 73 3HB LEU 73 -0.127 -15.323 -7.320 497 HG LEU 73 HG LEU 73 -2.315 -14.892 -8.599 498 HD11 LEU 73 1HD1 LEU 73 -3.697 -15.060 -6.492 499 HD12 LEU 73 2HD1 LEU 73 -4.017 -13.664 -7.520 500 HD13 LEU 73 3HD1 LEU 73 -3.056 -13.477 -6.053 501 HD21 LEU 73 1HD2 LEU 73 -0.302 -13.166 -7.546 502 HD22 LEU 73 2HD2 LEU 73 -1.837 -12.299 -7.592 503 HD23 LEU 73 3HD2 LEU 73 -1.195 -13.035 -9.061 504 H GLN 74 H GLN 74 0.087 -17.383 -5.024 505 HA GLN 74 HA GLN 74 2.197 -18.477 -6.609 506 HB2 GLN 74 2HB GLN 74 2.194 -17.309 -4.219 507 HB3 GLN 74 3HB GLN 74 2.067 -18.977 -3.675 508 HG2 GLN 74 2HG GLN 74 4.097 -19.524 -4.949 509 HG3 GLN 74 3HG GLN 74 4.235 -17.830 -5.420 510 HE21 GLN 74 1HE2 GLN 74 5.017 -20.154 -3.117 511 HE22 GLN 74 2HE2 GLN 74 5.664 -19.104 -1.908 512 H THR 75 H THR 75 -0.517 -19.776 -4.860 513 HA THR 75 HA THR 75 0.295 -22.423 -4.530 514 HB THR 75 HB THR 75 -2.482 -21.356 -5.071 515 HG1 THR 75 HG1 THR 75 -0.903 -21.713 -2.764 516 HG21 THR 75 1HG2 THR 75 -3.022 -23.542 -3.728 517 HG22 THR 75 2HG2 THR 75 -1.471 -24.079 -4.374 518 HG23 THR 75 3HG2 THR 75 -2.768 -23.609 -5.472 519 H VAL 76 H VAL 76 -1.595 -21.012 -7.207 520 HA VAL 76 HA VAL 76 -1.572 -23.382 -8.770 521 HB VAL 76 HB VAL 76 -2.259 -21.847 -10.648 522 HG11 VAL 76 1HG1 VAL 76 -3.808 -21.688 -8.064 523 HG12 VAL 76 2HG1 VAL 76 -4.460 -21.345 -9.668 524 HG13 VAL 76 3HG1 VAL 76 -3.907 -22.972 -9.268 525 HG21 VAL 76 1HG2 VAL 76 -2.580 -19.683 -8.622 526 HG22 VAL 76 2HG2 VAL 76 -1.022 -19.883 -9.423 527 HG23 VAL 76 3HG2 VAL 76 -2.471 -19.574 -10.379 528 H GLY 77 H GLY 77 0.665 -20.771 -8.352 529 HA2 GLY 77 2HA GLY 77 2.963 -21.047 -8.970 530 HA3 GLY 77 3HA GLY 77 2.443 -22.051 -10.315 531 H VAL 78 H VAL 78 1.085 -18.925 -9.416 532 HA VAL 78 HA VAL 78 1.267 -17.939 -12.069 533 HB VAL 78 HB VAL 78 0.727 -16.459 -9.491 534 HG11 VAL 78 1HG1 VAL 78 0.958 -15.563 -12.282 535 HG12 VAL 78 2HG1 VAL 78 -0.478 -15.000 -11.424 536 HG13 VAL 78 3HG1 VAL 78 1.128 -14.657 -10.779 537 HG21 VAL 78 1HG2 VAL 78 -1.534 -16.715 -11.213 538 HG22 VAL 78 2HG2 VAL 78 -0.831 -18.310 -10.948 539 HG23 VAL 78 3HG2 VAL 78 -1.318 -17.322 -9.571 540 H LYS 79 H LYS 79 2.691 -16.561 -13.021 541 HA LYS 79 HA LYS 79 5.251 -16.213 -11.679 542 HB2 LYS 79 2HB LYS 79 4.541 -16.797 -14.289 543 HB3 LYS 79 3HB LYS 79 5.021 -15.107 -14.372 544 HG2 LYS 79 2HG LYS 79 7.099 -15.936 -13.022 545 HG3 LYS 79 3HG LYS 79 6.642 -17.508 -13.681 546 HD2 LYS 79 2HD LYS 79 6.636 -16.440 -15.956 547 HD3 LYS 79 3HD LYS 79 7.337 -15.004 -15.207 548 HE2 LYS 79 2HE LYS 79 9.290 -16.206 -14.556 549 HE3 LYS 79 3HE LYS 79 8.562 -17.748 -15.005 550 HZ1 LYS 79 1HZ LYS 79 8.452 -16.757 -17.334 551 HZ2 LYS 79 2HZ LYS 79 9.970 -17.237 -16.764 552 HZ3 LYS 79 3HZ LYS 79 9.549 -15.598 -16.774 553 H LYS 80 H LYS 80 6.401 -14.058 -12.255 554 HA LYS 80 HA LYS 80 5.196 -11.993 -10.859 555 HB2 LYS 80 2HB LYS 80 7.666 -12.333 -11.625 556 HB3 LYS 80 3HB LYS 80 7.171 -11.416 -13.042 557 HG2 LYS 80 2HG LYS 80 7.347 -9.504 -11.941 558 HG3 LYS 80 3HG LYS 80 6.299 -10.092 -10.648 559 HD2 LYS 80 2HD LYS 80 8.361 -11.350 -9.800 560 HD3 LYS 80 3HD LYS 80 9.286 -10.318 -10.894 561 HE2 LYS 80 2HE LYS 80 7.611 -8.567 -9.537 562 HE3 LYS 80 3HE LYS 80 8.130 -9.716 -8.305 563 HZ1 LYS 80 1HZ LYS 80 9.552 -7.616 -8.854 564 HZ2 LYS 80 2HZ LYS 80 10.144 -8.580 -10.110 565 HZ3 LYS 80 3HZ LYS 80 10.304 -9.091 -8.505 566 H ASP 81 H ASP 81 4.906 -12.867 -14.211 567 HA ASP 81 HA ASP 81 3.785 -10.389 -15.091 568 HB2 ASP 81 2HB ASP 81 4.784 -12.625 -16.351 569 HB3 ASP 81 3HB ASP 81 3.052 -12.766 -16.641 570 H SER 82 H SER 82 2.441 -13.533 -14.153 571 HA SER 82 HA SER 82 0.324 -14.204 -13.645 572 HB2 SER 82 2HB SER 82 -0.310 -11.381 -12.836 573 HB3 SER 82 3HB SER 82 -0.812 -12.892 -12.078 574 HG SER 82 HG SER 82 0.773 -12.139 -10.787 575 H VAL 83 H VAL 83 -0.174 -14.523 -15.889 576 HA VAL 83 HA VAL 83 -2.046 -12.515 -16.966 577 HB VAL 83 HB VAL 83 -0.126 -12.694 -18.416 578 HG11 VAL 83 1HG1 VAL 83 0.555 -14.966 -17.638 579 HG12 VAL 83 2HG1 VAL 83 -0.708 -15.641 -18.669 580 HG13 VAL 83 3HG1 VAL 83 0.633 -14.745 -19.385 581 HG21 VAL 83 1HG2 VAL 83 -2.493 -14.163 -19.575 582 HG22 VAL 83 2HG2 VAL 83 -2.299 -12.412 -19.486 583 HG23 VAL 83 3HG2 VAL 83 -1.220 -13.369 -20.502 584 H PHE 84 H PHE 84 -4.098 -13.123 -17.086 585 HA PHE 84 HA PHE 84 -4.709 -15.996 -17.299 586 HB2 PHE 84 2HB PHE 84 -6.804 -14.501 -15.967 587 HB3 PHE 84 3HB PHE 84 -5.965 -15.957 -15.443 588 HD1 PHE 84 HD1 PHE 84 -6.462 -12.496 -14.864 589 HD2 PHE 84 HD2 PHE 84 -3.635 -15.644 -14.399 590 HE1 PHE 84 HE1 PHE 84 -5.304 -11.195 -13.126 591 HE2 PHE 84 HE2 PHE 84 -2.474 -14.349 -12.660 592 HZ PHE 84 HZ PHE 84 -3.308 -12.122 -12.020 593 H VAL 85 H VAL 85 -6.228 -16.570 -18.761 594 HA VAL 85 HA VAL 85 -7.383 -14.407 -20.381 595 HB VAL 85 HB VAL 85 -7.149 -17.322 -21.126 596 HG11 VAL 85 1HG1 VAL 85 -8.759 -16.457 -22.527 597 HG12 VAL 85 2HG1 VAL 85 -8.037 -14.847 -22.538 598 HG13 VAL 85 3HG1 VAL 85 -7.292 -16.155 -23.458 599 HG21 VAL 85 1HG2 VAL 85 -5.116 -15.302 -20.989 600 HG22 VAL 85 2HG2 VAL 85 -4.974 -16.998 -21.452 601 HG23 VAL 85 3HG2 VAL 85 -5.377 -15.783 -22.665 602 H LEU 86 H LEU 86 -9.555 -14.283 -20.782 603 HA LEU 86 HA LEU 86 -11.260 -15.910 -19.045 604 HB2 LEU 86 2HB LEU 86 -11.242 -13.307 -19.184 605 HB3 LEU 86 3HB LEU 86 -12.226 -13.563 -20.623 606 HG LEU 86 HG LEU 86 -12.949 -14.604 -17.887 607 HD11 LEU 86 1HD1 LEU 86 -13.016 -11.934 -18.845 608 HD12 LEU 86 2HD1 LEU 86 -13.637 -12.576 -17.326 609 HD13 LEU 86 3HD1 LEU 86 -14.674 -12.527 -18.751 610 HD21 LEU 86 1HD2 LEU 86 -14.254 -14.591 -20.572 611 HD22 LEU 86 2HD2 LEU 86 -15.251 -14.529 -19.119 612 HD23 LEU 86 3HD2 LEU 86 -14.151 -15.884 -19.376 613 H VAL 87 H VAL 87 -12.261 -17.599 -19.898 614 HA VAL 87 HA VAL 87 -12.945 -17.537 -22.765 615 HB VAL 87 HB VAL 87 -12.960 -20.044 -22.613 616 HG11 VAL 87 1HG1 VAL 87 -10.250 -19.851 -22.045 617 HG12 VAL 87 2HG1 VAL 87 -11.013 -19.665 -23.625 618 HG13 VAL 87 3HG1 VAL 87 -10.692 -18.247 -22.627 619 HG21 VAL 87 1HG2 VAL 87 -11.670 -19.499 -19.941 620 HG22 VAL 87 2HG2 VAL 87 -13.228 -20.279 -20.213 621 HG23 VAL 87 3HG2 VAL 87 -11.742 -21.072 -20.735 622 H ARG 88 H ARG 88 -14.809 -19.131 -23.253 623 HA ARG 88 HA ARG 88 -17.049 -18.309 -21.603 624 HB2 ARG 88 2HB ARG 88 -16.969 -19.890 -24.180 625 HB3 ARG 88 3HB ARG 88 -18.430 -19.316 -23.386 626 HG2 ARG 88 2HG ARG 88 -16.978 -17.018 -23.626 627 HG3 ARG 88 3HG ARG 88 -16.534 -17.896 -25.091 628 HD2 ARG 88 2HD ARG 88 -19.338 -17.280 -24.163 629 HD3 ARG 88 3HD ARG 88 -18.477 -16.471 -25.473 630 HE ARG 88 HE ARG 88 -18.494 -19.179 -26.069 631 HH11 ARG 88 1HH1 ARG 88 -20.807 -16.614 -25.631 632 HH12 ARG 88 2HH1 ARG 88 -21.966 -17.296 -26.724 633 HH21 ARG 88 1HH2 ARG 88 -20.011 -20.087 -27.510 634 HH22 ARG 88 2HH2 ARG 88 -21.512 -19.272 -27.791 635 H LYS 89 H LYS 89 -18.089 -19.552 -20.177 636 HA LYS 89 HA LYS 89 -17.065 -22.171 -19.574 637 HB2 LYS 89 2HB LYS 89 -17.735 -20.621 -17.789 638 HB3 LYS 89 3HB LYS 89 -19.391 -20.651 -18.379 639 HG2 LYS 89 2HG LYS 89 -19.713 -22.869 -17.700 640 HG3 LYS 89 3HG LYS 89 -17.981 -23.150 -17.505 641 HD2 LYS 89 2HD LYS 89 -18.051 -22.462 -15.388 642 HD3 LYS 89 3HD LYS 89 -18.836 -20.951 -15.855 643 HE2 LYS 89 2HE LYS 89 -20.990 -22.303 -15.988 644 HE3 LYS 89 3HE LYS 89 -20.111 -23.583 -15.153 645 HZ1 LYS 89 1HZ LYS 89 -21.402 -21.424 -14.014 646 HZ2 LYS 89 2HZ LYS 89 -19.751 -21.107 -13.828 647 HZ3 LYS 89 3HZ LYS 89 -20.407 -22.548 -13.232 648 H ALA 90 H ALA 90 -19.871 -20.841 -21.173 649 HA ALA 90 HA ALA 90 -20.747 -23.584 -21.791 650 HB1 ALA 90 1HB ALA 90 -22.661 -23.177 -20.740 651 HB2 ALA 90 2HB ALA 90 -22.224 -21.487 -20.481 652 HB3 ALA 90 3HB ALA 90 -23.018 -21.973 -21.979 Start of MODEL 17 1 H1 MET 10 H MET 10 2.546 0.928 4.276 2 HA MET 10 HA MET 10 4.248 -1.395 3.809 3 HB2 MET 10 2HB MET 10 1.779 -1.376 5.507 4 HB3 MET 10 3HB MET 10 2.182 -2.811 4.573 5 HG2 MET 10 2HG MET 10 4.354 -1.659 6.200 6 HG3 MET 10 3HG MET 10 3.013 -2.388 7.080 7 HE1 MET 10 1HE MET 10 6.150 -4.500 4.508 8 HE2 MET 10 2HE MET 10 5.209 -3.170 3.833 9 HE3 MET 10 3HE MET 10 6.250 -2.894 5.230 10 H SER 11 H SER 11 4.003 -2.059 1.784 11 HA SER 11 HA SER 11 1.453 -2.259 0.512 12 HB2 SER 11 2HB SER 11 2.644 0.249 0.323 13 HB3 SER 11 3HB SER 11 3.061 -0.536 -1.200 14 HG SER 11 HG SER 11 0.904 -0.837 -1.625 15 H GLU 12 H GLU 12 1.503 -3.685 -1.158 16 HA GLU 12 HA GLU 12 4.061 -4.383 -2.375 17 HB2 GLU 12 2HB GLU 12 3.728 -5.857 -0.367 18 HB3 GLU 12 3HB GLU 12 2.284 -6.491 -1.143 19 HG2 GLU 12 2HG GLU 12 4.048 -6.883 -3.116 20 HG3 GLU 12 3HG GLU 12 5.129 -6.992 -1.728 21 H THR 13 H THR 13 2.927 -3.273 -4.132 22 HA THR 13 HA THR 13 0.698 -4.730 -5.326 23 HB THR 13 HB THR 13 1.618 -2.554 -6.962 24 HG1 THR 13 HG1 THR 13 1.194 -1.974 -4.203 25 HG21 THR 13 1HG2 THR 13 -0.835 -2.259 -5.349 26 HG22 THR 13 2HG2 THR 13 -0.746 -3.709 -6.349 27 HG23 THR 13 3HG2 THR 13 -0.599 -2.116 -7.090 28 H ILE 14 H ILE 14 0.750 -5.615 -7.401 29 HA ILE 14 HA ILE 14 3.353 -5.777 -8.734 30 HB ILE 14 HB ILE 14 3.207 -8.169 -9.034 31 HG12 ILE 14 2HG1 ILE 14 1.199 -8.910 -7.160 32 HG13 ILE 14 3HG1 ILE 14 0.480 -7.756 -8.278 33 HG21 ILE 14 1HG2 ILE 14 3.866 -8.837 -6.900 34 HG22 ILE 14 2HG2 ILE 14 4.172 -7.101 -6.909 35 HG23 ILE 14 3HG2 ILE 14 2.738 -7.738 -6.105 36 HD11 ILE 14 1HD1 ILE 14 1.369 -9.183 -10.144 37 HD12 ILE 14 2HD1 ILE 14 1.774 -10.387 -8.920 38 HD13 ILE 14 3HD1 ILE 14 0.094 -9.907 -9.163 39 HA PRO 15 HA PRO 15 0.986 -5.203 -12.395 40 HB2 PRO 15 2HB PRO 15 2.651 -6.338 -14.214 41 HB3 PRO 15 3HB PRO 15 2.982 -4.779 -13.451 42 HG2 PRO 15 2HG PRO 15 4.066 -7.486 -12.774 43 HG3 PRO 15 3HG PRO 15 4.916 -5.932 -12.870 44 HD2 PRO 15 2HD PRO 15 4.140 -7.026 -10.518 45 HD3 PRO 15 3HD PRO 15 4.204 -5.272 -10.779 46 H VAL 16 H VAL 16 -0.543 -6.252 -13.569 47 HA VAL 16 HA VAL 16 -0.405 -9.155 -13.860 48 HB VAL 16 HB VAL 16 -2.889 -7.850 -12.753 49 HG11 VAL 16 1HG1 VAL 16 -2.045 -10.674 -13.309 50 HG12 VAL 16 2HG1 VAL 16 -3.328 -10.306 -12.154 51 HG13 VAL 16 3HG1 VAL 16 -3.496 -9.825 -13.842 52 HG21 VAL 16 1HG2 VAL 16 -1.197 -7.636 -11.064 53 HG22 VAL 16 2HG2 VAL 16 -2.279 -8.952 -10.606 54 HG23 VAL 16 3HG2 VAL 16 -0.694 -9.311 -11.291 55 H SER 17 H SER 17 -1.752 -9.992 -15.510 56 HA SER 17 HA SER 17 -2.960 -7.968 -17.275 57 HB2 SER 17 2HB SER 17 -1.475 -10.397 -18.284 58 HB3 SER 17 3HB SER 17 -2.041 -9.010 -19.215 59 HG SER 17 HG SER 17 -0.538 -7.875 -17.552 60 H VAL 18 H VAL 18 -4.899 -8.475 -18.162 61 HA VAL 18 HA VAL 18 -5.912 -11.212 -17.839 62 HB VAL 18 HB VAL 18 -7.545 -8.769 -17.143 63 HG11 VAL 18 1HG1 VAL 18 -9.287 -10.139 -17.239 64 HG12 VAL 18 2HG1 VAL 18 -8.231 -11.465 -17.730 65 HG13 VAL 18 3HG1 VAL 18 -8.543 -11.172 -16.019 66 HG21 VAL 18 1HG2 VAL 18 -5.784 -10.491 -15.496 67 HG22 VAL 18 2HG2 VAL 18 -6.197 -8.787 -15.312 68 HG23 VAL 18 3HG2 VAL 18 -7.339 -10.031 -14.804 69 H GLN 19 H GLN 19 -7.194 -11.929 -19.473 70 HA GLN 19 HA GLN 19 -7.631 -10.061 -21.703 71 HB2 GLN 19 2HB GLN 19 -6.666 -12.797 -21.556 72 HB3 GLN 19 3HB GLN 19 -8.018 -12.644 -22.670 73 HG2 GLN 19 2HG GLN 19 -6.773 -10.727 -23.730 74 HG3 GLN 19 3HG GLN 19 -5.385 -11.205 -22.753 75 HE21 GLN 19 1HE2 GLN 19 -4.037 -12.614 -23.612 76 HE22 GLN 19 2HE2 GLN 19 -4.376 -13.665 -24.940 77 H CYS 20 H CYS 20 -9.629 -9.797 -22.576 78 HA CYS 20 HA CYS 20 -11.822 -11.449 -21.535 79 HB2 CYS 20 2HB CYS 20 -11.639 -9.263 -20.284 80 HB3 CYS 20 3HB CYS 20 -12.001 -8.445 -21.799 81 HG CYS 20 HG CYS 20 -14.381 -8.340 -20.555 82 H CYS 21 H CYS 21 -13.639 -11.624 -22.896 83 HA CYS 21 HA CYS 21 -13.117 -11.788 -25.622 84 HB2 CYS 21 2HB CYS 21 -15.156 -12.593 -23.985 85 HB3 CYS 21 3HB CYS 21 -15.942 -11.336 -24.933 86 HG CYS 21 HG CYS 21 -15.790 -14.348 -25.750 87 H GLU 22 H GLU 22 -14.122 -9.093 -23.705 88 HA GLU 22 HA GLU 22 -15.044 -7.534 -25.961 89 HB2 GLU 22 2HB GLU 22 -14.918 -7.190 -23.024 90 HB3 GLU 22 3HB GLU 22 -14.799 -5.717 -23.976 91 HG2 GLU 22 2HG GLU 22 -17.026 -7.737 -24.100 92 HG3 GLU 22 3HG GLU 22 -17.093 -6.151 -23.334 93 H GLY 23 H GLY 23 -12.087 -8.098 -24.280 94 HA2 GLY 23 2HA GLY 23 -10.358 -7.069 -26.088 95 HA3 GLY 23 3HA GLY 23 -10.813 -5.654 -25.151 96 H ARG 24 H ARG 24 -8.485 -5.616 -24.665 97 HA ARG 24 HA ARG 24 -7.726 -7.565 -22.597 98 HB2 ARG 24 2HB ARG 24 -6.314 -6.480 -24.816 99 HB3 ARG 24 3HB ARG 24 -5.531 -5.905 -23.350 100 HG2 ARG 24 2HG ARG 24 -4.561 -7.868 -23.042 101 HG3 ARG 24 3HG ARG 24 -6.120 -8.693 -23.092 102 HD2 ARG 24 2HD ARG 24 -4.978 -9.669 -24.854 103 HD3 ARG 24 3HD ARG 24 -5.913 -8.409 -25.656 104 HE ARG 24 HE ARG 24 -3.399 -7.377 -24.952 105 HH11 ARG 24 1HH1 ARG 24 -4.842 -9.661 -27.147 106 HH12 ARG 24 2HH1 ARG 24 -3.614 -9.475 -28.355 107 HH21 ARG 24 1HH2 ARG 24 -1.775 -7.123 -26.534 108 HH22 ARG 24 2HH2 ARG 24 -1.869 -8.032 -28.004 109 H PHE 25 H PHE 25 -7.102 -6.902 -20.581 110 HA PHE 25 HA PHE 25 -7.021 -4.033 -20.014 111 HB2 PHE 25 2HB PHE 25 -9.273 -5.573 -19.454 112 HB3 PHE 25 3HB PHE 25 -8.424 -5.476 -17.915 113 HD1 PHE 25 HD1 PHE 25 -9.556 -3.308 -20.725 114 HD2 PHE 25 HD2 PHE 25 -8.780 -3.653 -16.554 115 HE1 PHE 25 HE1 PHE 25 -10.467 -1.050 -20.372 116 HE2 PHE 25 HE2 PHE 25 -9.691 -1.396 -16.194 117 HZ PHE 25 HZ PHE 25 -10.537 -0.092 -18.104 118 H GLU 26 H GLU 26 -5.474 -3.486 -18.596 119 HA GLU 26 HA GLU 26 -4.096 -5.675 -17.187 120 HB2 GLU 26 2HB GLU 26 -3.006 -3.019 -18.136 121 HB3 GLU 26 3HB GLU 26 -2.095 -4.214 -17.224 122 HG2 GLU 26 2HG GLU 26 -2.776 -5.799 -19.183 123 HG3 GLU 26 3HG GLU 26 -3.012 -4.286 -20.055 124 H LEU 27 H LEU 27 -3.464 -5.390 -15.044 125 HA LEU 27 HA LEU 27 -3.985 -2.955 -13.625 126 HB2 LEU 27 2HB LEU 27 -6.150 -4.643 -13.940 127 HB3 LEU 27 3HB LEU 27 -5.530 -5.059 -12.343 128 HG LEU 27 HG LEU 27 -5.592 -2.386 -12.110 129 HD11 LEU 27 1HD1 LEU 27 -6.924 -2.819 -14.532 130 HD12 LEU 27 2HD1 LEU 27 -6.864 -1.331 -13.588 131 HD13 LEU 27 3HD1 LEU 27 -8.182 -2.476 -13.345 132 HD21 LEU 27 1HD2 LEU 27 -6.690 -4.268 -10.755 133 HD22 LEU 27 2HD2 LEU 27 -8.116 -3.968 -11.750 134 HD23 LEU 27 3HD2 LEU 27 -7.458 -2.680 -10.739 135 H SER 28 H SER 28 -3.648 -3.302 -11.207 136 HA SER 28 HA SER 28 -1.704 -5.469 -10.758 137 HB2 SER 28 2HB SER 28 -0.331 -3.567 -10.926 138 HB3 SER 28 3HB SER 28 -1.493 -2.544 -10.080 139 HG SER 28 HG SER 28 0.429 -3.298 -8.867 140 H VAL 29 H VAL 29 -1.613 -6.345 -8.677 141 HA VAL 29 HA VAL 29 -3.500 -5.394 -6.673 142 HB VAL 29 HB VAL 29 -4.604 -7.516 -6.378 143 HG11 VAL 29 1HG1 VAL 29 -4.674 -6.847 -9.315 144 HG12 VAL 29 2HG1 VAL 29 -5.960 -7.568 -8.346 145 HG13 VAL 29 3HG1 VAL 29 -5.477 -5.894 -8.068 146 HG21 VAL 29 1HG2 VAL 29 -3.299 -9.284 -6.894 147 HG22 VAL 29 2HG2 VAL 29 -4.105 -9.157 -8.457 148 HG23 VAL 29 3HG2 VAL 29 -2.507 -8.448 -8.229 149 H ASP 30 H ASP 30 -3.095 -6.194 -4.572 150 HA ASP 30 HA ASP 30 -0.341 -7.068 -4.197 151 HB2 ASP 30 2HB ASP 30 -2.426 -6.101 -2.231 152 HB3 ASP 30 3HB ASP 30 -0.783 -6.559 -1.793 153 H SER 31 H SER 31 0.275 -8.959 -3.243 154 HA SER 31 HA SER 31 -1.677 -11.090 -3.250 155 HB2 SER 31 2HB SER 31 0.662 -11.338 -4.157 156 HB3 SER 31 3HB SER 31 1.248 -11.257 -2.496 157 HG SER 31 HG SER 31 0.271 -13.162 -2.047 158 H ASN 32 H ASN 32 -2.670 -11.936 -1.534 159 HA ASN 32 HA ASN 32 -1.612 -12.184 1.039 160 HB2 ASN 32 2HB ASN 32 -2.851 -10.480 2.276 161 HB3 ASN 32 3HB ASN 32 -1.793 -9.722 1.090 162 HD21 ASN 32 1HD2 ASN 32 -2.804 -9.132 -0.986 163 HD22 ASN 32 2HD2 ASN 32 -4.432 -8.555 -0.961 164 H HIS 33 H HIS 33 -4.595 -11.585 -0.776 165 HA HIS 33 HA HIS 33 -5.992 -13.554 0.887 166 HB2 HIS 33 2HB HIS 33 -6.785 -11.144 -0.493 167 HB3 HIS 33 3HB HIS 33 -7.779 -12.503 -1.010 168 HD1 HIS 33 HD1 HIS 33 -9.854 -12.581 0.310 169 HD2 HIS 33 HD2 HIS 33 -6.625 -11.330 2.606 170 HE1 HIS 33 HE1 HIS 33 -10.774 -12.214 2.622 171 H THR 34 H THR 34 -7.676 -14.867 -0.450 172 HA THR 34 HA THR 34 -6.180 -16.517 -2.239 173 HB THR 34 HB THR 34 -7.868 -17.475 -0.733 174 HG1 THR 34 HG1 THR 34 -8.902 -17.943 -3.304 175 HG21 THR 34 1HG2 THR 34 -9.577 -15.854 -0.635 176 HG22 THR 34 2HG2 THR 34 -10.297 -17.224 -1.482 177 HG23 THR 34 3HG2 THR 34 -9.751 -15.813 -2.389 178 H LEU 35 H LEU 35 -7.241 -17.238 -4.359 179 HA LEU 35 HA LEU 35 -7.159 -15.190 -6.207 180 HB2 LEU 35 2HB LEU 35 -7.133 -17.786 -6.475 181 HB3 LEU 35 3HB LEU 35 -8.868 -17.588 -6.710 182 HG LEU 35 HG LEU 35 -7.816 -15.749 -8.456 183 HD11 LEU 35 1HD1 LEU 35 -5.782 -16.298 -9.150 184 HD12 LEU 35 2HD1 LEU 35 -6.249 -17.985 -9.363 185 HD13 LEU 35 3HD1 LEU 35 -5.679 -17.419 -7.792 186 HD21 LEU 35 1HD2 LEU 35 -8.744 -17.088 -10.109 187 HD22 LEU 35 2HD2 LEU 35 -9.628 -17.577 -8.663 188 HD23 LEU 35 3HD2 LEU 35 -8.317 -18.585 -9.279 189 H ARG 36 H ARG 36 -9.827 -16.296 -4.271 190 HA ARG 36 HA ARG 36 -12.014 -15.364 -5.672 191 HB2 ARG 36 2HB ARG 36 -11.635 -16.449 -3.204 192 HB3 ARG 36 3HB ARG 36 -12.076 -14.801 -2.779 193 HG2 ARG 36 2HG ARG 36 -13.738 -16.319 -4.738 194 HG3 ARG 36 3HG ARG 36 -13.910 -16.624 -3.008 195 HD2 ARG 36 2HD ARG 36 -15.421 -14.951 -3.155 196 HD3 ARG 36 3HD ARG 36 -13.984 -13.940 -3.006 197 HE ARG 36 HE ARG 36 -14.275 -13.265 -5.176 198 HH11 ARG 36 1HH1 ARG 36 -16.235 -16.080 -4.577 199 HH12 ARG 36 2HH1 ARG 36 -17.070 -15.981 -6.092 200 HH21 ARG 36 1HH2 ARG 36 -15.367 -13.125 -7.173 201 HH22 ARG 36 2HH2 ARG 36 -16.575 -14.300 -7.568 202 H ASP 37 H ASP 37 -9.849 -13.564 -3.522 203 HA ASP 37 HA ASP 37 -11.255 -11.111 -3.666 204 HB2 ASP 37 2HB ASP 37 -9.594 -11.675 -1.901 205 HB3 ASP 37 3HB ASP 37 -8.314 -11.543 -3.104 206 H VAL 38 H VAL 38 -8.424 -12.347 -5.423 207 HA VAL 38 HA VAL 38 -7.899 -10.091 -6.973 208 HB VAL 38 HB VAL 38 -7.540 -12.948 -7.881 209 HG11 VAL 38 1HG1 VAL 38 -6.319 -12.154 -9.578 210 HG12 VAL 38 2HG1 VAL 38 -7.098 -10.607 -9.240 211 HG13 VAL 38 3HG1 VAL 38 -5.511 -10.964 -8.558 212 HG21 VAL 38 1HG2 VAL 38 -5.118 -12.145 -6.901 213 HG22 VAL 38 2HG2 VAL 38 -6.241 -11.435 -5.740 214 HG23 VAL 38 3HG2 VAL 38 -6.270 -13.172 -6.047 215 H LEU 39 H LEU 39 -9.884 -12.937 -7.783 216 HA LEU 39 HA LEU 39 -10.710 -12.100 -10.311 217 HB2 LEU 39 2HB LEU 39 -11.303 -14.207 -8.516 218 HB3 LEU 39 3HB LEU 39 -12.836 -13.508 -9.033 219 HG LEU 39 HG LEU 39 -12.195 -13.890 -11.380 220 HD11 LEU 39 1HD1 LEU 39 -10.244 -15.509 -11.702 221 HD12 LEU 39 2HD1 LEU 39 -9.715 -14.991 -10.102 222 HD13 LEU 39 3HD1 LEU 39 -9.860 -13.813 -11.406 223 HD21 LEU 39 1HD2 LEU 39 -12.964 -16.016 -11.360 224 HD22 LEU 39 2HD2 LEU 39 -13.229 -15.660 -9.653 225 HD23 LEU 39 3HD2 LEU 39 -11.790 -16.548 -10.155 226 H ARG 40 H ARG 40 -11.981 -11.352 -7.119 227 HA ARG 40 HA ARG 40 -14.405 -10.180 -7.872 228 HB2 ARG 40 2HB ARG 40 -12.684 -10.190 -5.498 229 HB3 ARG 40 3HB ARG 40 -13.630 -8.719 -5.677 230 HG2 ARG 40 2HG ARG 40 -15.321 -10.952 -6.182 231 HG3 ARG 40 3HG ARG 40 -14.452 -11.221 -4.669 232 HD2 ARG 40 2HD ARG 40 -15.518 -8.506 -5.032 233 HD3 ARG 40 3HD ARG 40 -16.737 -9.774 -4.902 234 HE ARG 40 HE ARG 40 -14.855 -10.129 -2.858 235 HH11 ARG 40 1HH1 ARG 40 -17.348 -7.899 -3.826 236 HH12 ARG 40 2HH1 ARG 40 -17.711 -7.399 -2.208 237 HH21 ARG 40 1HH2 ARG 40 -15.325 -9.479 -0.722 238 HH22 ARG 40 2HH2 ARG 40 -16.559 -8.298 -0.443 239 H GLN 41 H GLN 41 -11.190 -8.731 -7.457 240 HA GLN 41 HA GLN 41 -11.955 -6.081 -8.023 241 HB2 GLN 41 2HB GLN 41 -9.676 -7.232 -7.146 242 HB3 GLN 41 3HB GLN 41 -9.235 -6.932 -8.822 243 HG2 GLN 41 2HG GLN 41 -9.201 -4.687 -8.561 244 HG3 GLN 41 3HG GLN 41 -10.490 -4.695 -7.358 245 HE21 GLN 41 1HE2 GLN 41 -7.453 -6.492 -7.385 246 HE22 GLN 41 2HE2 GLN 41 -6.818 -5.793 -5.938 247 H PHE 42 H PHE 42 -10.441 -8.537 -10.115 248 HA PHE 42 HA PHE 42 -10.438 -7.019 -12.464 249 HB2 PHE 42 2HB PHE 42 -10.510 -10.000 -12.003 250 HB3 PHE 42 3HB PHE 42 -10.384 -9.293 -13.610 251 HD1 PHE 42 HD1 PHE 42 -8.567 -7.050 -13.161 252 HD2 PHE 42 HD2 PHE 42 -8.469 -11.009 -11.603 253 HE1 PHE 42 HE1 PHE 42 -6.126 -6.882 -12.896 254 HE2 PHE 42 HE2 PHE 42 -6.029 -10.848 -11.335 255 HZ PHE 42 HZ PHE 42 -4.854 -8.782 -11.981 256 H LYS 43 H LYS 43 -12.937 -8.973 -10.976 257 HA LYS 43 HA LYS 43 -14.700 -9.053 -13.190 258 HB2 LYS 43 2HB LYS 43 -15.102 -10.646 -11.506 259 HB3 LYS 43 3HB LYS 43 -15.058 -9.437 -10.229 260 HG2 LYS 43 2HG LYS 43 -17.324 -10.311 -10.713 261 HG3 LYS 43 3HG LYS 43 -17.182 -8.561 -10.895 262 HD2 LYS 43 2HD LYS 43 -17.777 -8.663 -13.040 263 HD3 LYS 43 3HD LYS 43 -16.586 -9.922 -13.373 264 HE2 LYS 43 2HE LYS 43 -18.433 -11.155 -13.791 265 HE3 LYS 43 3HE LYS 43 -18.416 -11.367 -12.041 266 HZ1 LYS 43 1HZ LYS 43 -20.223 -9.803 -13.706 267 HZ2 LYS 43 2HZ LYS 43 -19.806 -9.129 -12.211 268 HZ3 LYS 43 3HZ LYS 43 -20.531 -10.656 -12.277 269 H ARG 44 H ARG 44 -14.217 -6.767 -10.565 270 HA ARG 44 HA ARG 44 -16.546 -5.209 -11.194 271 HB2 ARG 44 2HB ARG 44 -14.750 -5.375 -9.046 272 HB3 ARG 44 3HB ARG 44 -14.534 -3.760 -9.708 273 HG2 ARG 44 2HG ARG 44 -17.333 -4.502 -9.442 274 HG3 ARG 44 3HG ARG 44 -16.459 -4.530 -7.909 275 HD2 ARG 44 2HD ARG 44 -15.540 -2.216 -8.901 276 HD3 ARG 44 3HD ARG 44 -17.118 -2.260 -9.685 277 HE ARG 44 HE ARG 44 -16.582 -1.803 -6.907 278 HH11 ARG 44 1HH1 ARG 44 -18.926 -2.987 -9.193 279 HH12 ARG 44 2HH1 ARG 44 -20.283 -2.678 -8.160 280 HH21 ARG 44 1HH2 ARG 44 -18.360 -1.392 -5.538 281 HH22 ARG 44 2HH2 ARG 44 -19.959 -1.770 -6.081 282 H GLU 45 H GLU 45 -13.254 -5.311 -12.240 283 HA GLU 45 HA GLU 45 -13.421 -2.668 -13.471 284 HB2 GLU 45 2HB GLU 45 -11.129 -4.639 -13.492 285 HB3 GLU 45 3HB GLU 45 -11.070 -2.961 -14.011 286 HG2 GLU 45 2HG GLU 45 -11.839 -3.675 -11.211 287 HG3 GLU 45 3HG GLU 45 -10.147 -3.580 -11.695 288 H VAL 46 H VAL 46 -14.051 -5.893 -14.236 289 HA VAL 46 HA VAL 46 -13.677 -5.436 -17.115 290 HB VAL 46 HB VAL 46 -12.751 -7.528 -15.936 291 HG11 VAL 46 1HG1 VAL 46 -15.038 -7.867 -14.784 292 HG12 VAL 46 2HG1 VAL 46 -15.519 -8.607 -16.312 293 HG13 VAL 46 3HG1 VAL 46 -14.174 -9.280 -15.389 294 HG21 VAL 46 1HG2 VAL 46 -14.520 -7.841 -18.360 295 HG22 VAL 46 2HG2 VAL 46 -12.856 -7.255 -18.364 296 HG23 VAL 46 3HG2 VAL 46 -13.204 -8.919 -17.893 297 H ALA 47 H ALA 47 -16.070 -5.926 -14.651 298 HA ALA 47 HA ALA 47 -18.248 -6.731 -16.219 299 HB1 ALA 47 1HB ALA 47 -19.510 -5.383 -14.305 300 HB2 ALA 47 2HB ALA 47 -18.753 -6.949 -14.015 301 HB3 ALA 47 3HB ALA 47 -17.913 -5.466 -13.560 302 H ALA 48 H ALA 48 -16.613 -3.731 -16.041 303 HA ALA 48 HA ALA 48 -18.615 -1.893 -16.631 304 HB1 ALA 48 1HB ALA 48 -15.701 -1.963 -17.364 305 HB2 ALA 48 2HB ALA 48 -16.748 -0.600 -17.760 306 HB3 ALA 48 3HB ALA 48 -16.486 -1.050 -16.075 307 H LEU 49 H LEU 49 -16.920 -4.148 -18.720 308 HA LEU 49 HA LEU 49 -18.545 -3.208 -20.990 309 HB2 LEU 49 2HB LEU 49 -16.099 -4.913 -21.267 310 HB3 LEU 49 3HB LEU 49 -16.868 -3.876 -22.467 311 HG LEU 49 HG LEU 49 -15.202 -3.002 -20.110 312 HD11 LEU 49 1HD1 LEU 49 -14.515 -2.136 -22.816 313 HD12 LEU 49 2HD1 LEU 49 -14.390 -3.877 -22.563 314 HD13 LEU 49 3HD1 LEU 49 -13.489 -2.769 -21.528 315 HD21 LEU 49 1HD2 LEU 49 -16.568 -1.205 -20.173 316 HD22 LEU 49 2HD2 LEU 49 -17.124 -1.547 -21.812 317 HD23 LEU 49 3HD2 LEU 49 -15.563 -0.765 -21.555 318 H ASP 50 H ASP 50 -17.780 -5.867 -18.934 319 HA ASP 50 HA ASP 50 -19.241 -7.741 -20.651 320 HB2 ASP 50 2HB ASP 50 -16.956 -8.256 -19.522 321 HB3 ASP 50 3HB ASP 50 -17.913 -8.487 -18.062 322 HA PRO 51 HA PRO 51 -22.712 -6.711 -17.953 323 HB2 PRO 51 2HB PRO 51 -24.580 -7.840 -19.568 324 HB3 PRO 51 3HB PRO 51 -23.911 -6.229 -19.853 325 HG2 PRO 51 2HG PRO 51 -23.182 -8.836 -21.132 326 HG3 PRO 51 3HG PRO 51 -23.402 -7.244 -21.882 327 HD2 PRO 51 2HD PRO 51 -20.958 -8.264 -21.316 328 HD3 PRO 51 3HD PRO 51 -21.302 -6.523 -21.261 329 H ILE 52 H ILE 52 -21.926 -9.825 -19.410 330 HA ILE 52 HA ILE 52 -23.656 -11.404 -17.830 331 HB ILE 52 HB ILE 52 -22.059 -13.282 -18.429 332 HG12 ILE 52 2HG1 ILE 52 -20.801 -11.204 -20.221 333 HG13 ILE 52 3HG1 ILE 52 -20.096 -11.680 -18.679 334 HG21 ILE 52 1HG2 ILE 52 -24.077 -12.722 -19.722 335 HG22 ILE 52 2HG2 ILE 52 -23.120 -11.617 -20.707 336 HG23 ILE 52 3HG2 ILE 52 -22.780 -13.347 -20.740 337 HD11 ILE 52 1HD1 ILE 52 -20.263 -13.164 -21.233 338 HD12 ILE 52 2HD1 ILE 52 -18.956 -13.072 -20.051 339 HD13 ILE 52 3HD1 ILE 52 -20.359 -14.093 -19.737 340 H ASN 53 H ASN 53 -23.268 -12.628 -15.983 341 HA ASN 53 HA ASN 53 -21.476 -11.443 -14.091 342 HB2 ASN 53 2HB ASN 53 -22.391 -13.063 -12.510 343 HB3 ASN 53 3HB ASN 53 -23.690 -12.315 -13.434 344 HD21 ASN 53 1HD2 ASN 53 -24.684 -13.527 -15.110 345 HD22 ASN 53 2HD2 ASN 53 -24.660 -15.254 -15.078 346 H LEU 54 H LEU 54 -19.959 -12.754 -12.774 347 HA LEU 54 HA LEU 54 -17.974 -13.918 -14.360 348 HB2 LEU 54 2HB LEU 54 -17.303 -13.007 -12.308 349 HB3 LEU 54 3HB LEU 54 -18.507 -13.929 -11.409 350 HG LEU 54 HG LEU 54 -17.214 -15.988 -11.855 351 HD11 LEU 54 1HD1 LEU 54 -15.718 -15.998 -13.490 352 HD12 LEU 54 2HD1 LEU 54 -14.699 -14.942 -12.514 353 HD13 LEU 54 3HD1 LEU 54 -15.835 -14.248 -13.670 354 HD21 LEU 54 1HD2 LEU 54 -16.894 -14.408 -9.847 355 HD22 LEU 54 2HD2 LEU 54 -15.376 -13.963 -10.627 356 HD23 LEU 54 3HD2 LEU 54 -15.667 -15.638 -10.153 357 H GLU 55 H GLU 55 -20.659 -15.339 -12.609 358 HA GLU 55 HA GLU 55 -19.764 -18.043 -12.924 359 HB2 GLU 55 2HB GLU 55 -21.880 -16.681 -11.559 360 HB3 GLU 55 3HB GLU 55 -22.570 -17.980 -12.523 361 HG2 GLU 55 2HG GLU 55 -20.951 -19.541 -11.473 362 HG3 GLU 55 3HG GLU 55 -20.429 -18.224 -10.425 363 H GLU 56 H GLU 56 -21.088 -15.796 -15.025 364 HA GLU 56 HA GLU 56 -22.605 -17.667 -16.629 365 HB2 GLU 56 2HB GLU 56 -22.462 -14.844 -16.376 366 HB3 GLU 56 3HB GLU 56 -22.033 -15.240 -18.034 367 HG2 GLU 56 2HG GLU 56 -24.489 -16.334 -16.702 368 HG3 GLU 56 3HG GLU 56 -24.476 -14.793 -17.557 369 H TYR 57 H TYR 57 -19.404 -17.191 -16.186 370 HA TYR 57 HA TYR 57 -18.718 -18.543 -18.628 371 HB2 TYR 57 2HB TYR 57 -17.115 -16.867 -19.428 372 HB3 TYR 57 3HB TYR 57 -18.753 -16.221 -19.418 373 HD1 TYR 57 HD1 TYR 57 -15.467 -16.105 -17.763 374 HD2 TYR 57 HD2 TYR 57 -19.358 -14.397 -17.978 375 HE1 TYR 57 HE1 TYR 57 -14.698 -14.200 -16.412 376 HE2 TYR 57 HE2 TYR 57 -18.600 -12.486 -16.629 377 HH TYR 57 HH TYR 57 -15.574 -12.470 -15.002 378 H VAL 58 H VAL 58 -16.278 -18.898 -18.730 379 HA VAL 58 HA VAL 58 -15.268 -19.286 -15.987 380 HB VAL 58 HB VAL 58 -13.866 -21.128 -17.030 381 HG11 VAL 58 1HG1 VAL 58 -16.868 -21.358 -16.920 382 HG12 VAL 58 2HG1 VAL 58 -15.780 -22.742 -17.050 383 HG13 VAL 58 3HG1 VAL 58 -15.715 -21.697 -15.630 384 HG21 VAL 58 1HG2 VAL 58 -15.782 -21.585 -19.165 385 HG22 VAL 58 2HG2 VAL 58 -14.857 -20.101 -19.395 386 HG23 VAL 58 3HG2 VAL 58 -14.020 -21.640 -19.197 387 H VAL 59 H VAL 59 -12.969 -19.133 -15.669 388 HA VAL 59 HA VAL 59 -11.567 -17.546 -17.713 389 HB VAL 59 HB VAL 59 -10.587 -16.128 -16.019 390 HG11 VAL 59 1HG1 VAL 59 -12.352 -14.725 -15.862 391 HG12 VAL 59 2HG1 VAL 59 -13.108 -15.917 -16.922 392 HG13 VAL 59 3HG1 VAL 59 -13.413 -15.961 -15.185 393 HG21 VAL 59 1HG2 VAL 59 -11.926 -16.450 -13.680 394 HG22 VAL 59 2HG2 VAL 59 -11.755 -18.124 -14.208 395 HG23 VAL 59 3HG2 VAL 59 -10.325 -17.110 -14.012 396 H ASN 60 H ASN 60 -9.500 -18.117 -18.105 397 HA ASN 60 HA ASN 60 -8.414 -20.345 -16.528 398 HB2 ASN 60 2HB ASN 60 -7.025 -20.845 -18.476 399 HB3 ASN 60 3HB ASN 60 -8.723 -20.764 -18.939 400 HD21 ASN 60 1HD2 ASN 60 -5.705 -18.956 -18.900 401 HD22 ASN 60 2HD2 ASN 60 -6.068 -17.967 -20.270 402 H HIS 61 H HIS 61 -6.405 -20.256 -15.611 403 HA HIS 61 HA HIS 61 -5.098 -17.617 -15.632 404 HB2 HIS 61 2HB HIS 61 -5.475 -19.681 -13.503 405 HB3 HIS 61 3HB HIS 61 -4.047 -18.653 -13.440 406 HD1 HIS 61 HD1 HIS 61 -4.606 -17.110 -11.560 407 HD2 HIS 61 HD2 HIS 61 -7.705 -17.436 -14.307 408 HE1 HIS 61 HE1 HIS 61 -6.310 -15.400 -10.857 409 H GLU 62 H GLU 62 -3.330 -17.565 -16.842 410 HA GLU 62 HA GLU 62 -1.353 -18.129 -17.815 411 HB2 GLU 62 2HB GLU 62 -0.951 -18.691 -15.277 412 HB3 GLU 62 3HB GLU 62 -0.956 -20.352 -15.853 413 HG2 GLU 62 2HG GLU 62 1.060 -20.164 -16.798 414 HG3 GLU 62 3HG GLU 62 0.730 -18.547 -17.417 415 H GLY 63 H GLY 63 -3.744 -19.348 -18.776 416 HA2 GLY 63 2HA GLY 63 -4.248 -20.866 -20.440 417 HA3 GLY 63 3HA GLY 63 -2.582 -21.423 -20.372 418 H LYS 64 H LYS 64 -4.105 -21.423 -17.347 419 HA LYS 64 HA LYS 64 -4.749 -24.287 -17.608 420 HB2 LYS 64 2HB LYS 64 -2.633 -23.365 -16.201 421 HB3 LYS 64 3HB LYS 64 -3.876 -23.293 -14.960 422 HG2 LYS 64 2HG LYS 64 -4.373 -25.665 -15.332 423 HG3 LYS 64 3HG LYS 64 -3.096 -25.729 -16.549 424 HD2 LYS 64 2HD LYS 64 -1.631 -24.766 -14.587 425 HD3 LYS 64 3HD LYS 64 -2.892 -25.487 -13.584 426 HE2 LYS 64 2HE LYS 64 -2.030 -27.288 -15.680 427 HE3 LYS 64 3HE LYS 64 -0.678 -26.771 -14.673 428 HZ1 LYS 64 1HZ LYS 64 -2.008 -27.430 -12.715 429 HZ2 LYS 64 2HZ LYS 64 -1.638 -28.729 -13.733 430 HZ3 LYS 64 3HZ LYS 64 -3.190 -28.055 -13.752 431 H LEU 65 H LEU 65 -6.694 -24.907 -16.883 432 HA LEU 65 HA LEU 65 -8.461 -22.868 -15.798 433 HB2 LEU 65 2HB LEU 65 -8.798 -25.523 -17.082 434 HB3 LEU 65 3HB LEU 65 -10.061 -24.982 -15.978 435 HG LEU 65 HG LEU 65 -9.684 -22.806 -17.639 436 HD11 LEU 65 1HD1 LEU 65 -10.069 -24.056 -19.898 437 HD12 LEU 65 2HD1 LEU 65 -9.168 -25.349 -19.109 438 HD13 LEU 65 3HD1 LEU 65 -8.432 -23.760 -19.313 439 HD21 LEU 65 1HD2 LEU 65 -11.680 -25.055 -17.634 440 HD22 LEU 65 2HD2 LEU 65 -11.845 -23.640 -18.674 441 HD23 LEU 65 3HD2 LEU 65 -11.834 -23.450 -16.920 442 H LEU 66 H LEU 66 -8.596 -22.600 -13.678 443 HA LEU 66 HA LEU 66 -7.787 -24.685 -11.849 444 HB2 LEU 66 2HB LEU 66 -7.937 -21.870 -11.795 445 HB3 LEU 66 3HB LEU 66 -9.020 -22.461 -10.536 446 HG LEU 66 HG LEU 66 -6.800 -21.964 -9.653 447 HD11 LEU 66 1HD1 LEU 66 -6.648 -23.821 -8.306 448 HD12 LEU 66 2HD1 LEU 66 -6.982 -24.941 -9.626 449 HD13 LEU 66 3HD1 LEU 66 -8.289 -23.981 -8.934 450 HD21 LEU 66 1HD2 LEU 66 -5.337 -22.279 -11.455 451 HD22 LEU 66 2HD2 LEU 66 -5.926 -23.913 -11.763 452 HD23 LEU 66 3HD2 LEU 66 -4.946 -23.584 -10.334 453 H LEU 67 H LEU 67 -9.118 -25.456 -10.105 454 HA LEU 67 HA LEU 67 -11.837 -25.964 -10.973 455 HB2 LEU 67 2HB LEU 67 -9.927 -27.420 -9.592 456 HB3 LEU 67 3HB LEU 67 -11.118 -27.005 -8.360 457 HG LEU 67 HG LEU 67 -11.797 -28.378 -10.956 458 HD11 LEU 67 1HD1 LEU 67 -10.805 -30.173 -10.079 459 HD12 LEU 67 2HD1 LEU 67 -12.153 -30.207 -8.943 460 HD13 LEU 67 3HD1 LEU 67 -10.641 -29.419 -8.493 461 HD21 LEU 67 1HD2 LEU 67 -13.920 -28.176 -10.336 462 HD22 LEU 67 2HD2 LEU 67 -13.386 -27.086 -9.056 463 HD23 LEU 67 3HD2 LEU 67 -13.568 -28.810 -8.728 464 H ASP 68 H ASP 68 -10.411 -25.005 -7.844 465 HA ASP 68 HA ASP 68 -12.842 -23.420 -7.338 466 HB2 ASP 68 2HB ASP 68 -11.194 -25.175 -5.625 467 HB3 ASP 68 3HB ASP 68 -11.713 -23.665 -4.882 468 H ASP 69 H ASP 69 -12.325 -21.639 -5.606 469 HA ASP 69 HA ASP 69 -9.915 -20.210 -6.522 470 HB2 ASP 69 2HB ASP 69 -12.483 -18.948 -5.548 471 HB3 ASP 69 3HB ASP 69 -11.103 -18.130 -6.276 472 H SER 70 H SER 70 -9.911 -22.016 -4.339 473 HA SER 70 HA SER 70 -9.978 -20.374 -1.935 474 HB2 SER 70 2HB SER 70 -9.478 -22.472 -0.747 475 HB3 SER 70 3HB SER 70 -10.865 -22.663 -1.820 476 HG SER 70 HG SER 70 -8.212 -23.572 -2.203 477 H VAL 71 H VAL 71 -7.721 -21.555 -4.250 478 HA VAL 71 HA VAL 71 -5.412 -21.183 -2.533 479 HB VAL 71 HB VAL 71 -4.104 -21.718 -4.590 480 HG11 VAL 71 1HG1 VAL 71 -5.263 -24.094 -4.810 481 HG12 VAL 71 2HG1 VAL 71 -4.378 -23.616 -3.360 482 HG13 VAL 71 3HG1 VAL 71 -6.139 -23.517 -3.393 483 HG21 VAL 71 1HG2 VAL 71 -6.413 -22.730 -6.055 484 HG22 VAL 71 2HG2 VAL 71 -6.386 -20.971 -5.927 485 HG23 VAL 71 3HG2 VAL 71 -5.013 -21.825 -6.632 486 H THR 72 H THR 72 -3.923 -19.545 -2.671 487 HA THR 72 HA THR 72 -4.865 -17.031 -3.651 488 HB THR 72 HB THR 72 -2.998 -16.051 -2.634 489 HG1 THR 72 HG1 THR 72 -1.142 -16.929 -3.146 490 HG21 THR 72 1HG2 THR 72 -4.544 -17.679 -1.178 491 HG22 THR 72 2HG2 THR 72 -3.222 -16.745 -0.478 492 HG23 THR 72 3HG2 THR 72 -2.983 -18.444 -0.886 493 H LEU 73 H LEU 73 -2.801 -15.690 -4.691 494 HA LEU 73 HA LEU 73 -2.745 -16.564 -7.387 495 HB2 LEU 73 2HB LEU 73 -1.129 -14.675 -7.685 496 HB3 LEU 73 3HB LEU 73 -2.684 -14.237 -6.980 497 HG LEU 73 HG LEU 73 -1.152 -14.652 -4.755 498 HD11 LEU 73 1HD1 LEU 73 0.680 -12.953 -6.294 499 HD12 LEU 73 2HD1 LEU 73 0.731 -14.668 -6.702 500 HD13 LEU 73 3HD1 LEU 73 1.016 -14.148 -5.041 501 HD21 LEU 73 1HD2 LEU 73 -2.167 -12.697 -4.460 502 HD22 LEU 73 2HD2 LEU 73 -2.317 -12.441 -6.198 503 HD23 LEU 73 3HD2 LEU 73 -0.845 -11.952 -5.358 504 H GLN 74 H GLN 74 -0.208 -16.357 -4.898 505 HA GLN 74 HA GLN 74 1.761 -17.611 -6.548 506 HB2 GLN 74 2HB GLN 74 1.821 -16.124 -4.230 507 HB3 GLN 74 3HB GLN 74 2.224 -17.739 -3.661 508 HG2 GLN 74 2HG GLN 74 3.842 -17.611 -5.787 509 HG3 GLN 74 3HG GLN 74 3.749 -15.896 -5.387 510 HE21 GLN 74 1HE2 GLN 74 6.149 -16.798 -5.172 511 HE22 GLN 74 2HE2 GLN 74 6.613 -17.127 -3.541 512 H THR 75 H THR 75 -0.619 -18.704 -4.258 513 HA THR 75 HA THR 75 0.409 -21.209 -3.592 514 HB THR 75 HB THR 75 -2.483 -20.394 -3.936 515 HG1 THR 75 HG1 THR 75 -2.271 -20.288 -1.566 516 HG21 THR 75 1HG2 THR 75 -2.959 -22.299 -2.424 517 HG22 THR 75 2HG2 THR 75 -1.270 -22.791 -2.556 518 HG23 THR 75 3HG2 THR 75 -2.308 -22.808 -3.981 519 H VAL 76 H VAL 76 -1.713 -20.283 -6.291 520 HA VAL 76 HA VAL 76 -1.890 -22.894 -7.389 521 HB VAL 76 HB VAL 76 -3.553 -21.176 -7.905 522 HG11 VAL 76 1HG1 VAL 76 -2.378 -19.161 -8.001 523 HG12 VAL 76 2HG1 VAL 76 -1.204 -19.792 -9.157 524 HG13 VAL 76 3HG1 VAL 76 -2.857 -19.452 -9.673 525 HG21 VAL 76 1HG2 VAL 76 -3.203 -23.049 -9.460 526 HG22 VAL 76 2HG2 VAL 76 -3.754 -21.593 -10.288 527 HG23 VAL 76 3HG2 VAL 76 -2.057 -22.065 -10.370 528 H GLY 77 H GLY 77 0.494 -20.407 -7.558 529 HA2 GLY 77 2HA GLY 77 2.704 -20.804 -8.306 530 HA3 GLY 77 3HA GLY 77 2.102 -22.111 -9.315 531 H VAL 78 H VAL 78 0.797 -18.839 -9.155 532 HA VAL 78 HA VAL 78 0.785 -18.560 -11.975 533 HB VAL 78 HB VAL 78 -0.784 -17.389 -10.411 534 HG11 VAL 78 1HG1 VAL 78 1.463 -15.432 -9.994 535 HG12 VAL 78 2HG1 VAL 78 -0.125 -15.450 -9.224 536 HG13 VAL 78 3HG1 VAL 78 1.062 -16.695 -8.831 537 HG21 VAL 78 1HG2 VAL 78 -0.908 -15.346 -11.729 538 HG22 VAL 78 2HG2 VAL 78 0.737 -15.604 -12.312 539 HG23 VAL 78 3HG2 VAL 78 -0.545 -16.728 -12.763 540 H LYS 79 H LYS 79 1.987 -17.153 -13.298 541 HA LYS 79 HA LYS 79 4.764 -17.023 -12.664 542 HB2 LYS 79 2HB LYS 79 3.104 -16.696 -14.992 543 HB3 LYS 79 3HB LYS 79 4.249 -15.365 -14.889 544 HG2 LYS 79 2HG LYS 79 5.621 -17.799 -14.330 545 HG3 LYS 79 3HG LYS 79 4.694 -17.988 -15.820 546 HD2 LYS 79 2HD LYS 79 5.804 -16.220 -16.873 547 HD3 LYS 79 3HD LYS 79 6.394 -15.562 -15.345 548 HE2 LYS 79 2HE LYS 79 8.156 -16.980 -15.264 549 HE3 LYS 79 3HE LYS 79 7.257 -18.308 -15.997 550 HZ1 LYS 79 1HZ LYS 79 8.257 -15.948 -17.495 551 HZ2 LYS 79 2HZ LYS 79 7.550 -17.340 -18.146 552 HZ3 LYS 79 3HZ LYS 79 9.069 -17.430 -17.406 553 H LYS 80 H LYS 80 6.024 -14.958 -12.974 554 HA LYS 80 HA LYS 80 5.403 -13.115 -10.999 555 HB2 LYS 80 2HB LYS 80 7.128 -11.666 -12.063 556 HB3 LYS 80 3HB LYS 80 7.658 -13.325 -11.815 557 HG2 LYS 80 2HG LYS 80 7.037 -13.760 -14.218 558 HG3 LYS 80 3HG LYS 80 6.836 -12.015 -14.391 559 HD2 LYS 80 2HD LYS 80 9.223 -11.885 -13.397 560 HD3 LYS 80 3HD LYS 80 9.328 -13.588 -13.848 561 HE2 LYS 80 2HE LYS 80 8.748 -12.983 -16.164 562 HE3 LYS 80 3HE LYS 80 8.711 -11.284 -15.696 563 HZ1 LYS 80 1HZ LYS 80 11.052 -13.098 -15.751 564 HZ2 LYS 80 2HZ LYS 80 11.079 -11.597 -14.974 565 HZ3 LYS 80 3HZ LYS 80 10.816 -11.680 -16.643 566 H ASP 81 H ASP 81 4.803 -12.941 -14.485 567 HA ASP 81 HA ASP 81 3.624 -10.330 -14.348 568 HB2 ASP 81 2HB ASP 81 4.169 -12.340 -16.441 569 HB3 ASP 81 3HB ASP 81 2.760 -11.323 -16.727 570 H SER 82 H SER 82 2.442 -13.643 -14.382 571 HA SER 82 HA SER 82 0.393 -14.548 -13.990 572 HB2 SER 82 2HB SER 82 -0.222 -11.885 -12.688 573 HB3 SER 82 3HB SER 82 -1.066 -13.409 -12.413 574 HG SER 82 HG SER 82 1.319 -12.504 -11.390 575 H VAL 83 H VAL 83 -0.326 -14.738 -16.088 576 HA VAL 83 HA VAL 83 -2.118 -12.593 -17.031 577 HB VAL 83 HB VAL 83 -0.228 -12.737 -18.519 578 HG11 VAL 83 1HG1 VAL 83 -0.547 -15.328 -19.659 579 HG12 VAL 83 2HG1 VAL 83 0.869 -14.636 -18.864 580 HG13 VAL 83 3HG1 VAL 83 -0.344 -15.498 -17.916 581 HG21 VAL 83 1HG2 VAL 83 -2.408 -12.340 -19.537 582 HG22 VAL 83 2HG2 VAL 83 -1.365 -13.256 -20.626 583 HG23 VAL 83 3HG2 VAL 83 -2.645 -14.077 -19.732 584 H PHE 84 H PHE 84 -4.187 -13.141 -17.058 585 HA PHE 84 HA PHE 84 -4.890 -15.974 -17.459 586 HB2 PHE 84 2HB PHE 84 -6.882 -14.404 -16.006 587 HB3 PHE 84 3HB PHE 84 -6.209 -15.988 -15.634 588 HD1 PHE 84 HD1 PHE 84 -6.185 -12.489 -14.856 589 HD2 PHE 84 HD2 PHE 84 -3.983 -16.111 -14.468 590 HE1 PHE 84 HE1 PHE 84 -4.881 -11.496 -13.020 591 HE2 PHE 84 HE2 PHE 84 -2.677 -15.124 -12.631 592 HZ PHE 84 HZ PHE 84 -3.125 -12.814 -11.905 593 H VAL 85 H VAL 85 -6.450 -16.428 -18.924 594 HA VAL 85 HA VAL 85 -7.631 -14.138 -20.351 595 HB VAL 85 HB VAL 85 -7.249 -16.933 -21.425 596 HG11 VAL 85 1HG1 VAL 85 -8.595 -14.552 -22.378 597 HG12 VAL 85 2HG1 VAL 85 -7.361 -15.108 -23.510 598 HG13 VAL 85 3HG1 VAL 85 -8.647 -16.202 -22.999 599 HG21 VAL 85 1HG2 VAL 85 -5.523 -14.485 -21.772 600 HG22 VAL 85 2HG2 VAL 85 -5.070 -16.001 -20.993 601 HG23 VAL 85 3HG2 VAL 85 -5.376 -15.959 -22.729 602 H LEU 86 H LEU 86 -9.808 -14.152 -20.886 603 HA LEU 86 HA LEU 86 -11.459 -15.870 -19.207 604 HB2 LEU 86 2HB LEU 86 -11.786 -13.264 -20.562 605 HB3 LEU 86 3HB LEU 86 -13.234 -14.257 -20.413 606 HG LEU 86 HG LEU 86 -13.070 -14.239 -18.017 607 HD11 LEU 86 1HD1 LEU 86 -10.342 -13.310 -18.579 608 HD12 LEU 86 2HD1 LEU 86 -10.967 -14.257 -17.230 609 HD13 LEU 86 3HD1 LEU 86 -11.148 -12.503 -17.234 610 HD21 LEU 86 1HD2 LEU 86 -13.907 -12.165 -17.764 611 HD22 LEU 86 2HD2 LEU 86 -13.744 -12.098 -19.518 612 HD23 LEU 86 3HD2 LEU 86 -12.498 -11.391 -18.489 613 H VAL 87 H VAL 87 -12.535 -17.572 -19.952 614 HA VAL 87 HA VAL 87 -12.918 -17.819 -22.866 615 HB VAL 87 HB VAL 87 -12.913 -20.322 -22.427 616 HG11 VAL 87 1HG1 VAL 87 -10.253 -19.115 -21.774 617 HG12 VAL 87 2HG1 VAL 87 -10.634 -20.476 -22.832 618 HG13 VAL 87 3HG1 VAL 87 -11.008 -18.829 -23.342 619 HG21 VAL 87 1HG2 VAL 87 -12.928 -19.600 -19.803 620 HG22 VAL 87 2HG2 VAL 87 -12.442 -21.184 -20.407 621 HG23 VAL 87 3HG2 VAL 87 -11.221 -19.960 -20.061 622 H ARG 88 H ARG 88 -14.689 -19.516 -23.354 623 HA ARG 88 HA ARG 88 -16.924 -19.227 -21.466 624 HB2 ARG 88 2HB ARG 88 -18.426 -18.945 -23.478 625 HB3 ARG 88 3HB ARG 88 -17.380 -17.578 -23.115 626 HG2 ARG 88 2HG ARG 88 -16.101 -17.880 -24.983 627 HG3 ARG 88 3HG ARG 88 -16.420 -19.614 -25.054 628 HD2 ARG 88 2HD ARG 88 -17.733 -18.972 -26.787 629 HD3 ARG 88 3HD ARG 88 -18.895 -18.723 -25.485 630 HE ARG 88 HE ARG 88 -17.595 -16.337 -25.694 631 HH11 ARG 88 1HH1 ARG 88 -19.342 -18.382 -27.904 632 HH12 ARG 88 2HH1 ARG 88 -19.890 -17.068 -28.891 633 HH21 ARG 88 1HH2 ARG 88 -18.310 -14.598 -26.986 634 HH22 ARG 88 2HH2 ARG 88 -19.301 -14.916 -28.369 635 H LYS 89 H LYS 89 -17.977 -21.066 -21.060 636 HA LYS 89 HA LYS 89 -17.136 -23.487 -22.393 637 HB2 LYS 89 2HB LYS 89 -17.784 -23.005 -19.839 638 HB3 LYS 89 3HB LYS 89 -19.360 -23.524 -20.422 639 HG2 LYS 89 2HG LYS 89 -18.426 -25.489 -19.655 640 HG3 LYS 89 3HG LYS 89 -18.081 -25.549 -21.385 641 HD2 LYS 89 2HD LYS 89 -15.823 -24.843 -21.028 642 HD3 LYS 89 3HD LYS 89 -16.142 -24.507 -19.325 643 HE2 LYS 89 2HE LYS 89 -16.634 -26.922 -19.003 644 HE3 LYS 89 3HE LYS 89 -16.150 -27.204 -20.675 645 HZ1 LYS 89 1HZ LYS 89 -14.524 -26.837 -18.350 646 HZ2 LYS 89 2HZ LYS 89 -14.070 -25.804 -19.610 647 HZ3 LYS 89 3HZ LYS 89 -14.113 -27.476 -19.861 648 H ALA 90 H ALA 90 -20.030 -21.496 -22.185 649 HA ALA 90 HA ALA 90 -21.179 -23.067 -24.394 650 HB1 ALA 90 1HB ALA 90 -23.244 -21.849 -22.816 651 HB2 ALA 90 2HB ALA 90 -23.010 -23.547 -23.236 652 HB3 ALA 90 3HB ALA 90 -22.229 -22.876 -21.804 Start of MODEL 18 1 H1 MET 10 H MET 10 3.940 2.078 -1.442 2 HA MET 10 HA MET 10 2.164 -0.061 -0.657 3 HB2 MET 10 2HB MET 10 3.989 0.247 -3.047 4 HB3 MET 10 3HB MET 10 2.865 -1.085 -2.814 5 HG2 MET 10 2HG MET 10 1.707 1.614 -2.631 6 HG3 MET 10 3HG MET 10 2.303 1.133 -4.218 7 HE1 MET 10 1HE MET 10 -1.259 1.397 -3.020 8 HE2 MET 10 2HE MET 10 -1.387 -0.050 -2.021 9 HE3 MET 10 3HE MET 10 -0.153 1.159 -1.667 10 H SER 11 H SER 11 2.722 -2.103 -0.016 11 HA SER 11 HA SER 11 5.470 -2.425 0.926 12 HB2 SER 11 2HB SER 11 4.092 -4.626 1.830 13 HB3 SER 11 3HB SER 11 4.305 -3.124 2.729 14 HG SER 11 HG SER 11 2.050 -4.196 1.700 15 H GLU 12 H GLU 12 3.015 -4.523 -0.597 16 HA GLU 12 HA GLU 12 5.145 -5.670 -2.264 17 HB2 GLU 12 2HB GLU 12 3.503 -7.033 -0.262 18 HB3 GLU 12 3HB GLU 12 3.445 -7.800 -1.843 19 HG2 GLU 12 2HG GLU 12 6.138 -7.248 -1.417 20 HG3 GLU 12 3HG GLU 12 5.535 -7.820 0.138 21 H THR 13 H THR 13 4.552 -4.864 -4.196 22 HA THR 13 HA THR 13 1.744 -4.921 -4.993 23 HB THR 13 HB THR 13 3.842 -3.945 -6.862 24 HG1 THR 13 HG1 THR 13 3.673 -1.872 -5.633 25 HG21 THR 13 1HG2 THR 13 1.056 -3.122 -6.074 26 HG22 THR 13 2HG2 THR 13 1.618 -3.735 -7.629 27 HG23 THR 13 3HG2 THR 13 2.082 -2.119 -7.098 28 H ILE 14 H ILE 14 0.990 -5.997 -6.825 29 HA ILE 14 HA ILE 14 2.830 -7.855 -8.148 30 HB ILE 14 HB ILE 14 0.141 -8.727 -7.093 31 HG12 ILE 14 2HG1 ILE 14 1.793 -8.296 -5.276 32 HG13 ILE 14 3HG1 ILE 14 1.324 -9.988 -5.402 33 HG21 ILE 14 1HG2 ILE 14 0.383 -10.389 -8.546 34 HG22 ILE 14 2HG2 ILE 14 1.989 -9.824 -9.000 35 HG23 ILE 14 3HG2 ILE 14 1.794 -10.917 -7.630 36 HD11 ILE 14 1HD1 ILE 14 3.846 -9.208 -5.133 37 HD12 ILE 14 2HD1 ILE 14 3.389 -10.651 -6.039 38 HD13 ILE 14 3HD1 ILE 14 3.733 -9.147 -6.892 39 HA PRO 15 HA PRO 15 0.448 -5.846 -11.425 40 HB2 PRO 15 2HB PRO 15 2.221 -6.470 -13.384 41 HB3 PRO 15 3HB PRO 15 2.445 -5.104 -12.285 42 HG2 PRO 15 2HG PRO 15 3.657 -7.840 -12.180 43 HG3 PRO 15 3HG PRO 15 4.423 -6.265 -11.899 44 HD2 PRO 15 2HD PRO 15 3.646 -7.889 -9.876 45 HD3 PRO 15 3HD PRO 15 3.621 -6.119 -9.743 46 H VAL 16 H VAL 16 -1.290 -6.940 -12.090 47 HA VAL 16 HA VAL 16 -0.886 -9.585 -13.328 48 HB VAL 16 HB VAL 16 -2.025 -9.773 -11.138 49 HG11 VAL 16 1HG1 VAL 16 -3.164 -7.676 -11.003 50 HG12 VAL 16 2HG1 VAL 16 -4.090 -8.024 -12.465 51 HG13 VAL 16 3HG1 VAL 16 -4.381 -8.952 -10.993 52 HG21 VAL 16 1HG2 VAL 16 -2.473 -11.271 -13.157 53 HG22 VAL 16 2HG2 VAL 16 -3.656 -11.303 -11.850 54 HG23 VAL 16 3HG2 VAL 16 -3.993 -10.392 -13.322 55 H SER 17 H SER 17 -2.266 -10.123 -15.070 56 HA SER 17 HA SER 17 -3.877 -7.947 -16.190 57 HB2 SER 17 2HB SER 17 -2.290 -9.420 -18.190 58 HB3 SER 17 3HB SER 17 -2.664 -7.699 -18.089 59 HG SER 17 HG SER 17 -0.512 -7.852 -17.702 60 H VAL 18 H VAL 18 -5.524 -8.612 -17.604 61 HA VAL 18 HA VAL 18 -5.931 -11.506 -17.878 62 HB VAL 18 HB VAL 18 -8.015 -9.563 -16.875 63 HG11 VAL 18 1HG1 VAL 18 -8.198 -12.278 -18.035 64 HG12 VAL 18 2HG1 VAL 18 -9.183 -11.953 -16.608 65 HG13 VAL 18 3HG1 VAL 18 -9.364 -10.955 -18.051 66 HG21 VAL 18 1HG2 VAL 18 -6.195 -10.506 -15.303 67 HG22 VAL 18 2HG2 VAL 18 -7.882 -10.603 -14.801 68 HG23 VAL 18 3HG2 VAL 18 -7.074 -12.027 -15.456 69 H GLN 19 H GLN 19 -6.625 -12.106 -19.839 70 HA GLN 19 HA GLN 19 -7.444 -9.980 -21.701 71 HB2 GLN 19 2HB GLN 19 -5.543 -12.106 -21.918 72 HB3 GLN 19 3HB GLN 19 -6.814 -12.365 -23.106 73 HG2 GLN 19 2HG GLN 19 -6.181 -9.641 -23.244 74 HG3 GLN 19 3HG GLN 19 -4.643 -10.497 -23.139 75 HE21 GLN 19 1HE2 GLN 19 -4.595 -12.519 -24.584 76 HE22 GLN 19 2HE2 GLN 19 -5.167 -12.292 -26.198 77 H CYS 20 H CYS 20 -9.339 -10.112 -22.784 78 HA CYS 20 HA CYS 20 -10.922 -12.571 -22.529 79 HB2 CYS 20 2HB CYS 20 -11.493 -10.617 -20.863 80 HB3 CYS 20 3HB CYS 20 -12.287 -9.920 -22.269 81 HG CYS 20 HG CYS 20 -13.713 -12.517 -22.591 82 H CYS 21 H CYS 21 -12.445 -12.922 -24.181 83 HA CYS 21 HA CYS 21 -11.681 -12.175 -26.743 84 HB2 CYS 21 2HB CYS 21 -13.973 -13.566 -25.533 85 HB3 CYS 21 3HB CYS 21 -14.327 -12.797 -27.075 86 HG CYS 21 HG CYS 21 -11.602 -14.813 -26.793 87 H GLU 22 H GLU 22 -13.703 -10.536 -24.461 88 HA GLU 22 HA GLU 22 -14.783 -8.726 -26.468 89 HB2 GLU 22 2HB GLU 22 -15.355 -9.358 -23.643 90 HB3 GLU 22 3HB GLU 22 -15.563 -7.670 -24.088 91 HG2 GLU 22 2HG GLU 22 -16.845 -9.969 -25.541 92 HG3 GLU 22 3HG GLU 22 -17.624 -9.041 -24.261 93 H GLY 23 H GLY 23 -12.186 -8.894 -24.207 94 HA2 GLY 23 2HA GLY 23 -10.734 -6.786 -25.186 95 HA3 GLY 23 3HA GLY 23 -11.763 -6.070 -23.955 96 H ARG 24 H ARG 24 -9.081 -5.902 -23.641 97 HA ARG 24 HA ARG 24 -8.473 -7.934 -21.596 98 HB2 ARG 24 2HB ARG 24 -6.154 -7.646 -22.037 99 HB3 ARG 24 3HB ARG 24 -6.944 -7.816 -23.599 100 HG2 ARG 24 2HG ARG 24 -5.821 -5.993 -24.196 101 HG3 ARG 24 3HG ARG 24 -6.964 -5.099 -23.191 102 HD2 ARG 24 2HD ARG 24 -5.137 -6.001 -21.358 103 HD3 ARG 24 3HD ARG 24 -4.130 -5.672 -22.767 104 HE ARG 24 HE ARG 24 -5.438 -3.750 -21.094 105 HH11 ARG 24 1HH1 ARG 24 -4.228 -4.365 -24.300 106 HH12 ARG 24 2HH1 ARG 24 -3.995 -2.690 -24.675 107 HH21 ARG 24 1HH2 ARG 24 -5.136 -1.541 -21.576 108 HH22 ARG 24 2HH2 ARG 24 -4.511 -1.084 -23.125 109 H PHE 25 H PHE 25 -7.705 -7.281 -19.597 110 HA PHE 25 HA PHE 25 -7.534 -4.409 -19.065 111 HB2 PHE 25 2HB PHE 25 -9.782 -5.961 -18.375 112 HB3 PHE 25 3HB PHE 25 -8.891 -5.706 -16.878 113 HD1 PHE 25 HD1 PHE 25 -9.977 -3.754 -19.869 114 HD2 PHE 25 HD2 PHE 25 -9.422 -3.848 -15.650 115 HE1 PHE 25 HE1 PHE 25 -10.927 -1.491 -19.697 116 HE2 PHE 25 HE2 PHE 25 -10.372 -1.585 -15.471 117 HZ PHE 25 HZ PHE 25 -11.126 -0.404 -17.496 118 H GLU 26 H GLU 26 -5.934 -3.888 -17.697 119 HA GLU 26 HA GLU 26 -4.616 -6.088 -16.246 120 HB2 GLU 26 2HB GLU 26 -2.515 -4.871 -16.491 121 HB3 GLU 26 3HB GLU 26 -3.235 -5.188 -18.063 122 HG2 GLU 26 2HG GLU 26 -3.967 -2.931 -18.267 123 HG3 GLU 26 3HG GLU 26 -3.516 -2.577 -16.600 124 H LEU 27 H LEU 27 -3.952 -5.751 -14.139 125 HA LEU 27 HA LEU 27 -4.354 -3.171 -12.883 126 HB2 LEU 27 2HB LEU 27 -6.369 -5.168 -12.802 127 HB3 LEU 27 3HB LEU 27 -5.655 -5.057 -11.195 128 HG LEU 27 HG LEU 27 -6.063 -2.479 -11.552 129 HD11 LEU 27 1HD1 LEU 27 -7.298 -1.882 -13.292 130 HD12 LEU 27 2HD1 LEU 27 -8.555 -3.034 -12.845 131 HD13 LEU 27 3HD1 LEU 27 -7.222 -3.543 -13.881 132 HD21 LEU 27 1HD2 LEU 27 -8.007 -2.668 -10.256 133 HD22 LEU 27 2HD2 LEU 27 -7.072 -4.113 -9.872 134 HD23 LEU 27 3HD2 LEU 27 -8.444 -4.217 -10.977 135 H SER 28 H SER 28 -3.714 -3.241 -10.544 136 HA SER 28 HA SER 28 -1.766 -5.378 -10.004 137 HB2 SER 28 2HB SER 28 -0.719 -3.047 -8.839 138 HB3 SER 28 3HB SER 28 -0.088 -3.909 -10.242 139 HG SER 28 HG SER 28 -1.216 -1.490 -10.139 140 H VAL 29 H VAL 29 -1.864 -6.207 -8.010 141 HA VAL 29 HA VAL 29 -2.988 -4.654 -5.817 142 HB VAL 29 HB VAL 29 -4.923 -5.814 -6.878 143 HG11 VAL 29 1HG1 VAL 29 -5.088 -8.097 -7.084 144 HG12 VAL 29 2HG1 VAL 29 -3.371 -7.857 -7.413 145 HG13 VAL 29 3HG1 VAL 29 -3.897 -8.407 -5.821 146 HG21 VAL 29 1HG2 VAL 29 -5.856 -6.653 -4.815 147 HG22 VAL 29 2HG2 VAL 29 -4.245 -6.840 -4.123 148 HG23 VAL 29 3HG2 VAL 29 -4.872 -5.230 -4.474 149 H ASP 30 H ASP 30 -2.500 -5.496 -3.746 150 HA ASP 30 HA ASP 30 -0.016 -6.907 -3.635 151 HB2 ASP 30 2HB ASP 30 -1.895 -6.029 -1.432 152 HB3 ASP 30 3HB ASP 30 -0.280 -6.683 -1.173 153 H SER 31 H SER 31 0.413 -8.970 -2.984 154 HA SER 31 HA SER 31 -1.774 -10.852 -3.168 155 HB2 SER 31 2HB SER 31 0.364 -12.408 -2.606 156 HB3 SER 31 3HB SER 31 -0.016 -11.837 -4.230 157 HG SER 31 HG SER 31 2.169 -11.377 -2.846 158 H ASN 32 H ASN 32 -2.744 -11.889 -1.537 159 HA ASN 32 HA ASN 32 -1.575 -12.505 0.943 160 HB2 ASN 32 2HB ASN 32 -2.749 -10.948 2.419 161 HB3 ASN 32 3HB ASN 32 -1.706 -10.070 1.303 162 HD21 ASN 32 1HD2 ASN 32 -2.813 -9.330 -0.730 163 HD22 ASN 32 2HD2 ASN 32 -4.407 -8.685 -0.558 164 H HIS 33 H HIS 33 -4.598 -11.667 -0.698 165 HA HIS 33 HA HIS 33 -6.037 -13.694 0.830 166 HB2 HIS 33 2HB HIS 33 -6.752 -11.248 -0.488 167 HB3 HIS 33 3HB HIS 33 -7.710 -12.566 -1.157 168 HD1 HIS 33 HD1 HIS 33 -9.898 -11.884 -0.056 169 HD2 HIS 33 HD2 HIS 33 -6.801 -12.445 2.656 170 HE1 HIS 33 HE1 HIS 33 -10.979 -11.857 2.214 171 H THR 34 H THR 34 -7.668 -15.003 -0.545 172 HA THR 34 HA THR 34 -6.131 -16.618 -2.338 173 HB THR 34 HB THR 34 -8.038 -18.057 -2.475 174 HG1 THR 34 HG1 THR 34 -9.459 -15.811 -1.469 175 HG21 THR 34 1HG2 THR 34 -8.180 -18.713 -0.274 176 HG22 THR 34 2HG2 THR 34 -8.333 -17.059 0.321 177 HG23 THR 34 3HG2 THR 34 -6.764 -17.665 -0.206 178 H LEU 35 H LEU 35 -7.323 -17.371 -4.438 179 HA LEU 35 HA LEU 35 -7.187 -15.343 -6.308 180 HB2 LEU 35 2HB LEU 35 -7.389 -17.997 -6.467 181 HB3 LEU 35 3HB LEU 35 -9.055 -17.578 -6.858 182 HG LEU 35 HG LEU 35 -7.700 -17.921 -8.866 183 HD11 LEU 35 1HD1 LEU 35 -9.587 -16.215 -8.698 184 HD12 LEU 35 2HD1 LEU 35 -8.469 -16.054 -10.053 185 HD13 LEU 35 3HD1 LEU 35 -8.317 -14.991 -8.654 186 HD21 LEU 35 1HD2 LEU 35 -6.124 -15.505 -7.998 187 HD22 LEU 35 2HD2 LEU 35 -5.871 -16.495 -9.436 188 HD23 LEU 35 3HD2 LEU 35 -5.554 -17.166 -7.836 189 H ARG 36 H ARG 36 -9.863 -16.327 -4.312 190 HA ARG 36 HA ARG 36 -12.027 -15.283 -5.678 191 HB2 ARG 36 2HB ARG 36 -11.504 -16.229 -3.064 192 HB3 ARG 36 3HB ARG 36 -12.292 -14.667 -2.887 193 HG2 ARG 36 2HG ARG 36 -13.601 -16.300 -4.883 194 HG3 ARG 36 3HG ARG 36 -13.519 -17.110 -3.317 195 HD2 ARG 36 2HD ARG 36 -14.922 -15.638 -2.334 196 HD3 ARG 36 3HD ARG 36 -14.291 -14.268 -3.248 197 HE ARG 36 HE ARG 36 -15.644 -15.647 -5.121 198 HH11 ARG 36 1HH1 ARG 36 -16.496 -14.550 -1.929 199 HH12 ARG 36 2HH1 ARG 36 -18.178 -14.363 -2.300 200 HH21 ARG 36 1HH2 ARG 36 -17.857 -15.404 -5.622 201 HH22 ARG 36 2HH2 ARG 36 -18.951 -14.850 -4.401 202 H ASP 37 H ASP 37 -9.517 -13.627 -3.909 203 HA ASP 37 HA ASP 37 -10.865 -11.099 -3.811 204 HB2 ASP 37 2HB ASP 37 -9.214 -11.503 -2.136 205 HB3 ASP 37 3HB ASP 37 -7.998 -11.920 -3.341 206 H VAL 38 H VAL 38 -8.262 -12.470 -5.804 207 HA VAL 38 HA VAL 38 -7.850 -10.187 -7.404 208 HB VAL 38 HB VAL 38 -7.389 -13.069 -8.182 209 HG11 VAL 38 1HG1 VAL 38 -6.967 -12.063 -10.154 210 HG12 VAL 38 2HG1 VAL 38 -6.749 -10.474 -9.418 211 HG13 VAL 38 3HG1 VAL 38 -5.435 -11.650 -9.384 212 HG21 VAL 38 1HG2 VAL 38 -5.784 -13.145 -6.650 213 HG22 VAL 38 2HG2 VAL 38 -4.992 -11.771 -7.422 214 HG23 VAL 38 3HG2 VAL 38 -6.171 -11.502 -6.138 215 H LEU 39 H LEU 39 -9.988 -12.976 -7.757 216 HA LEU 39 HA LEU 39 -10.907 -12.299 -10.361 217 HB2 LEU 39 2HB LEU 39 -11.024 -14.565 -9.336 218 HB3 LEU 39 3HB LEU 39 -12.296 -13.968 -8.272 219 HG LEU 39 HG LEU 39 -13.667 -13.494 -10.309 220 HD11 LEU 39 1HD1 LEU 39 -12.993 -14.697 -12.382 221 HD12 LEU 39 2HD1 LEU 39 -11.407 -14.959 -11.657 222 HD13 LEU 39 3HD1 LEU 39 -11.968 -13.319 -11.982 223 HD21 LEU 39 1HD2 LEU 39 -12.783 -16.348 -9.895 224 HD22 LEU 39 2HD2 LEU 39 -14.272 -15.837 -10.692 225 HD23 LEU 39 3HD2 LEU 39 -14.028 -15.499 -8.978 226 H ARG 40 H ARG 40 -11.999 -11.560 -7.102 227 HA ARG 40 HA ARG 40 -14.518 -10.502 -7.732 228 HB2 ARG 40 2HB ARG 40 -13.929 -11.010 -5.445 229 HB3 ARG 40 3HB ARG 40 -12.618 -9.838 -5.479 230 HG2 ARG 40 2HG ARG 40 -14.237 -8.026 -5.714 231 HG3 ARG 40 3HG ARG 40 -15.553 -9.200 -5.687 232 HD2 ARG 40 2HD ARG 40 -13.753 -9.531 -3.440 233 HD3 ARG 40 3HD ARG 40 -14.434 -7.906 -3.503 234 HE ARG 40 HE ARG 40 -16.599 -9.472 -3.854 235 HH11 ARG 40 1HH1 ARG 40 -14.037 -9.470 -1.497 236 HH12 ARG 40 2HH1 ARG 40 -15.027 -10.114 -0.229 237 HH21 ARG 40 1HH2 ARG 40 -17.913 -10.319 -2.193 238 HH22 ARG 40 2HH2 ARG 40 -17.231 -10.597 -0.626 239 H GLN 41 H GLN 41 -11.346 -8.929 -7.467 240 HA GLN 41 HA GLN 41 -12.288 -6.317 -8.031 241 HB2 GLN 41 2HB GLN 41 -9.932 -7.342 -7.139 242 HB3 GLN 41 3HB GLN 41 -9.513 -6.952 -8.802 243 HG2 GLN 41 2HG GLN 41 -9.567 -4.741 -8.436 244 HG3 GLN 41 3HG GLN 41 -10.962 -4.846 -7.364 245 HE21 GLN 41 1HE2 GLN 41 -7.803 -6.418 -7.158 246 HE22 GLN 41 2HE2 GLN 41 -7.365 -5.735 -5.633 247 H PHE 42 H PHE 42 -10.594 -8.704 -10.064 248 HA PHE 42 HA PHE 42 -10.625 -7.240 -12.436 249 HB2 PHE 42 2HB PHE 42 -10.224 -10.054 -11.677 250 HB3 PHE 42 3HB PHE 42 -10.803 -9.820 -13.323 251 HD1 PHE 42 HD1 PHE 42 -7.968 -10.409 -11.601 252 HD2 PHE 42 HD2 PHE 42 -9.511 -7.571 -14.373 253 HE1 PHE 42 HE1 PHE 42 -5.678 -9.875 -12.324 254 HE2 PHE 42 HE2 PHE 42 -7.223 -7.033 -15.101 255 HZ PHE 42 HZ PHE 42 -5.303 -8.186 -14.077 256 H LYS 43 H LYS 43 -13.060 -9.335 -11.003 257 HA LYS 43 HA LYS 43 -14.792 -9.351 -13.267 258 HB2 LYS 43 2HB LYS 43 -14.965 -11.129 -11.656 259 HB3 LYS 43 3HB LYS 43 -15.263 -9.987 -10.352 260 HG2 LYS 43 2HG LYS 43 -17.153 -9.972 -12.633 261 HG3 LYS 43 3HG LYS 43 -17.210 -11.348 -11.529 262 HD2 LYS 43 2HD LYS 43 -17.066 -9.200 -9.821 263 HD3 LYS 43 3HD LYS 43 -18.073 -8.586 -11.135 264 HE2 LYS 43 2HE LYS 43 -19.653 -10.329 -10.856 265 HE3 LYS 43 3HE LYS 43 -18.572 -11.237 -9.801 266 HZ1 LYS 43 1HZ LYS 43 -20.515 -9.424 -9.045 267 HZ2 LYS 43 2HZ LYS 43 -19.040 -8.653 -8.745 268 HZ3 LYS 43 3HZ LYS 43 -19.362 -10.161 -8.049 269 H ARG 44 H ARG 44 -14.344 -7.241 -10.529 270 HA ARG 44 HA ARG 44 -16.821 -5.872 -10.702 271 HB2 ARG 44 2HB ARG 44 -15.301 -5.858 -8.714 272 HB3 ARG 44 3HB ARG 44 -14.205 -4.821 -9.618 273 HG2 ARG 44 2HG ARG 44 -15.313 -3.077 -8.828 274 HG3 ARG 44 3HG ARG 44 -16.703 -3.585 -9.790 275 HD2 ARG 44 2HD ARG 44 -17.143 -5.185 -7.773 276 HD3 ARG 44 3HD ARG 44 -16.123 -4.045 -6.897 277 HE ARG 44 HE ARG 44 -18.818 -3.630 -7.767 278 HH11 ARG 44 1HH1 ARG 44 -15.804 -2.051 -7.029 279 HH12 ARG 44 2HH1 ARG 44 -16.543 -0.531 -6.650 280 HH21 ARG 44 1HH2 ARG 44 -19.803 -1.633 -7.270 281 HH22 ARG 44 2HH2 ARG 44 -18.818 -0.294 -6.786 282 H GLU 45 H GLU 45 -13.852 -5.662 -12.462 283 HA GLU 45 HA GLU 45 -14.655 -3.115 -13.673 284 HB2 GLU 45 2HB GLU 45 -12.060 -4.653 -13.719 285 HB3 GLU 45 3HB GLU 45 -12.354 -3.244 -14.729 286 HG2 GLU 45 2HG GLU 45 -12.786 -3.028 -11.793 287 HG3 GLU 45 3HG GLU 45 -11.140 -3.026 -12.423 288 H VAL 46 H VAL 46 -13.586 -6.377 -14.612 289 HA VAL 46 HA VAL 46 -13.943 -6.144 -17.360 290 HB VAL 46 HB VAL 46 -12.974 -8.103 -15.907 291 HG11 VAL 46 1HG1 VAL 46 -15.357 -8.493 -14.987 292 HG12 VAL 46 2HG1 VAL 46 -15.640 -9.320 -16.519 293 HG13 VAL 46 3HG1 VAL 46 -14.376 -9.890 -15.428 294 HG21 VAL 46 1HG2 VAL 46 -13.364 -9.655 -17.858 295 HG22 VAL 46 2HG2 VAL 46 -14.401 -8.402 -18.542 296 HG23 VAL 46 3HG2 VAL 46 -12.690 -8.076 -18.262 297 H ALA 47 H ALA 47 -16.279 -6.460 -14.828 298 HA ALA 47 HA ALA 47 -18.437 -7.446 -16.388 299 HB1 ALA 47 1HB ALA 47 -18.763 -7.752 -14.125 300 HB2 ALA 47 2HB ALA 47 -18.205 -6.130 -13.717 301 HB3 ALA 47 3HB ALA 47 -19.791 -6.357 -14.452 302 H ALA 48 H ALA 48 -16.928 -4.395 -16.181 303 HA ALA 48 HA ALA 48 -19.190 -2.787 -16.884 304 HB1 ALA 48 1HB ALA 48 -17.472 -1.037 -17.334 305 HB2 ALA 48 2HB ALA 48 -17.380 -1.743 -15.721 306 HB3 ALA 48 3HB ALA 48 -16.230 -2.233 -16.965 307 H LEU 49 H LEU 49 -16.938 -4.736 -18.619 308 HA LEU 49 HA LEU 49 -17.887 -3.602 -21.166 309 HB2 LEU 49 2HB LEU 49 -15.492 -5.368 -21.000 310 HB3 LEU 49 3HB LEU 49 -15.872 -4.098 -22.161 311 HG LEU 49 HG LEU 49 -15.545 -2.551 -20.041 312 HD11 LEU 49 1HD1 LEU 49 -13.350 -3.836 -19.035 313 HD12 LEU 49 2HD1 LEU 49 -14.512 -5.150 -19.208 314 HD13 LEU 49 3HD1 LEU 49 -14.925 -3.729 -18.248 315 HD21 LEU 49 1HD2 LEU 49 -14.218 -2.102 -21.878 316 HD22 LEU 49 2HD2 LEU 49 -13.528 -3.725 -21.910 317 HD23 LEU 49 3HD2 LEU 49 -13.025 -2.576 -20.669 318 H ASP 50 H ASP 50 -17.709 -6.417 -19.183 319 HA ASP 50 HA ASP 50 -18.663 -8.130 -21.362 320 HB2 ASP 50 2HB ASP 50 -16.775 -8.719 -19.603 321 HB3 ASP 50 3HB ASP 50 -18.156 -9.172 -18.608 322 HA PRO 51 HA PRO 51 -22.726 -7.220 -19.616 323 HB2 PRO 51 2HB PRO 51 -24.097 -8.194 -21.748 324 HB3 PRO 51 3HB PRO 51 -23.373 -6.581 -21.726 325 HG2 PRO 51 2HG PRO 51 -22.335 -9.107 -22.952 326 HG3 PRO 51 3HG PRO 51 -22.343 -7.462 -23.615 327 HD2 PRO 51 2HD PRO 51 -20.141 -8.571 -22.496 328 HD3 PRO 51 3HD PRO 51 -20.484 -6.831 -22.408 329 H ILE 52 H ILE 52 -21.217 -10.163 -20.504 330 HA ILE 52 HA ILE 52 -23.432 -11.857 -19.726 331 HB ILE 52 HB ILE 52 -20.572 -12.628 -20.311 332 HG12 ILE 52 2HG1 ILE 52 -22.215 -13.463 -22.405 333 HG13 ILE 52 3HG1 ILE 52 -22.760 -11.828 -22.048 334 HG21 ILE 52 1HG2 ILE 52 -21.863 -14.833 -20.873 335 HG22 ILE 52 2HG2 ILE 52 -21.424 -14.455 -19.208 336 HG23 ILE 52 3HG2 ILE 52 -23.069 -14.165 -19.773 337 HD11 ILE 52 1HD1 ILE 52 -21.123 -11.546 -23.669 338 HD12 ILE 52 2HD1 ILE 52 -20.284 -11.192 -22.158 339 HD13 ILE 52 3HD1 ILE 52 -20.062 -12.755 -22.945 340 H ASN 53 H ASN 53 -23.525 -13.160 -17.899 341 HA ASN 53 HA ASN 53 -22.432 -12.068 -15.530 342 HB2 ASN 53 2HB ASN 53 -24.501 -13.799 -16.136 343 HB3 ASN 53 3HB ASN 53 -23.350 -14.834 -15.295 344 HD21 ASN 53 1HD2 ASN 53 -25.805 -14.323 -14.225 345 HD22 ASN 53 2HD2 ASN 53 -25.637 -13.330 -12.822 346 H LEU 54 H LEU 54 -20.918 -12.947 -14.079 347 HA LEU 54 HA LEU 54 -18.633 -14.105 -15.300 348 HB2 LEU 54 2HB LEU 54 -18.353 -12.606 -13.459 349 HB3 LEU 54 3HB LEU 54 -19.358 -13.614 -12.419 350 HG LEU 54 HG LEU 54 -17.537 -15.399 -12.721 351 HD11 LEU 54 1HD1 LEU 54 -15.323 -13.787 -12.958 352 HD12 LEU 54 2HD1 LEU 54 -16.406 -13.167 -14.205 353 HD13 LEU 54 3HD1 LEU 54 -15.954 -14.871 -14.198 354 HD21 LEU 54 1HD2 LEU 54 -17.943 -13.390 -10.859 355 HD22 LEU 54 2HD2 LEU 54 -16.219 -13.300 -11.217 356 HD23 LEU 54 3HD2 LEU 54 -16.927 -14.817 -10.660 357 H GLU 55 H GLU 55 -21.400 -15.411 -13.692 358 HA GLU 55 HA GLU 55 -20.224 -17.948 -13.055 359 HB2 GLU 55 2HB GLU 55 -22.231 -16.890 -11.907 360 HB3 GLU 55 3HB GLU 55 -23.167 -17.346 -13.323 361 HG2 GLU 55 2HG GLU 55 -23.472 -19.365 -12.490 362 HG3 GLU 55 3HG GLU 55 -21.730 -19.629 -12.451 363 H GLU 56 H GLU 56 -21.231 -16.521 -15.914 364 HA GLU 56 HA GLU 56 -22.172 -18.938 -17.197 365 HB2 GLU 56 2HB GLU 56 -21.450 -16.344 -18.553 366 HB3 GLU 56 3HB GLU 56 -22.539 -17.598 -19.128 367 HG2 GLU 56 2HG GLU 56 -23.570 -16.782 -16.663 368 HG3 GLU 56 3HG GLU 56 -23.094 -15.305 -17.499 369 H TYR 57 H TYR 57 -19.217 -17.104 -16.935 370 HA TYR 57 HA TYR 57 -17.880 -19.111 -18.628 371 HB2 TYR 57 2HB TYR 57 -16.297 -17.382 -19.339 372 HB3 TYR 57 3HB TYR 57 -17.945 -16.933 -19.761 373 HD1 TYR 57 HD1 TYR 57 -15.234 -16.318 -17.305 374 HD2 TYR 57 HD2 TYR 57 -18.885 -14.917 -18.983 375 HE1 TYR 57 HE1 TYR 57 -14.941 -14.173 -16.138 376 HE2 TYR 57 HE2 TYR 57 -18.600 -12.768 -17.821 377 HH TYR 57 HH TYR 57 -15.658 -11.923 -16.212 378 H VAL 58 H VAL 58 -15.460 -19.184 -18.159 379 HA VAL 58 HA VAL 58 -14.939 -18.800 -15.287 380 HB VAL 58 HB VAL 58 -14.036 -21.227 -16.835 381 HG11 VAL 58 1HG1 VAL 58 -13.912 -20.423 -13.940 382 HG12 VAL 58 2HG1 VAL 58 -13.683 -22.088 -14.479 383 HG13 VAL 58 3HG1 VAL 58 -12.578 -20.824 -15.021 384 HG21 VAL 58 1HG2 VAL 58 -16.460 -21.263 -16.661 385 HG22 VAL 58 2HG2 VAL 58 -15.751 -22.475 -15.595 386 HG23 VAL 58 3HG2 VAL 58 -16.358 -20.960 -14.927 387 H VAL 59 H VAL 59 -12.747 -18.495 -14.709 388 HA VAL 59 HA VAL 59 -11.104 -17.480 -16.919 389 HB VAL 59 HB VAL 59 -9.785 -16.361 -15.098 390 HG11 VAL 59 1HG1 VAL 59 -11.661 -15.307 -16.432 391 HG12 VAL 59 2HG1 VAL 59 -12.689 -15.584 -15.024 392 HG13 VAL 59 3HG1 VAL 59 -11.274 -14.540 -14.892 393 HG21 VAL 59 1HG2 VAL 59 -11.879 -16.442 -13.124 394 HG22 VAL 59 2HG2 VAL 59 -11.267 -18.064 -13.450 395 HG23 VAL 59 3HG2 VAL 59 -10.159 -16.788 -12.947 396 H ASN 60 H ASN 60 -9.323 -18.515 -17.532 397 HA ASN 60 HA ASN 60 -8.191 -20.540 -15.713 398 HB2 ASN 60 2HB ASN 60 -7.509 -21.802 -17.721 399 HB3 ASN 60 3HB ASN 60 -9.256 -21.592 -17.643 400 HD21 ASN 60 1HD2 ASN 60 -6.320 -20.630 -19.245 401 HD22 ASN 60 2HD2 ASN 60 -7.072 -19.926 -20.632 402 H HIS 61 H HIS 61 -5.966 -20.693 -15.543 403 HA HIS 61 HA HIS 61 -4.471 -18.427 -16.684 404 HB2 HIS 61 2HB HIS 61 -4.494 -18.265 -14.298 405 HB3 HIS 61 3HB HIS 61 -4.081 -19.967 -14.116 406 HD1 HIS 61 HD1 HIS 61 -1.825 -19.973 -13.093 407 HD2 HIS 61 HD2 HIS 61 -2.120 -17.220 -16.190 408 HE1 HIS 61 HE1 HIS 61 0.493 -19.041 -13.387 409 H GLU 62 H GLU 62 -3.243 -18.999 -18.346 410 HA GLU 62 HA GLU 62 -1.909 -20.207 -19.743 411 HB2 GLU 62 2HB GLU 62 -0.673 -20.080 -17.292 412 HB3 GLU 62 3HB GLU 62 -0.653 -21.805 -17.629 413 HG2 GLU 62 2HG GLU 62 0.337 -21.225 -19.878 414 HG3 GLU 62 3HG GLU 62 0.548 -19.589 -19.258 415 H GLY 63 H GLY 63 -4.500 -21.330 -19.108 416 HA2 GLY 63 2HA GLY 63 -5.529 -23.242 -19.991 417 HA3 GLY 63 3HA GLY 63 -3.969 -24.051 -19.999 418 H LYS 64 H LYS 64 -4.644 -22.485 -17.071 419 HA LYS 64 HA LYS 64 -5.312 -25.072 -15.840 420 HB2 LYS 64 2HB LYS 64 -3.185 -23.767 -15.197 421 HB3 LYS 64 3HB LYS 64 -4.273 -22.663 -14.365 422 HG2 LYS 64 2HG LYS 64 -3.592 -24.123 -12.698 423 HG3 LYS 64 3HG LYS 64 -5.168 -24.757 -13.181 424 HD2 LYS 64 2HD LYS 64 -4.288 -26.669 -13.967 425 HD3 LYS 64 3HD LYS 64 -2.915 -25.843 -14.709 426 HE2 LYS 64 2HE LYS 64 -2.057 -25.566 -12.298 427 HE3 LYS 64 3HE LYS 64 -3.236 -26.810 -11.887 428 HZ1 LYS 64 1HZ LYS 64 -1.676 -27.542 -14.157 429 HZ2 LYS 64 2HZ LYS 64 -1.921 -28.380 -12.708 430 HZ3 LYS 64 3HZ LYS 64 -0.694 -27.221 -12.817 431 H LEU 65 H LEU 65 -7.261 -25.345 -14.977 432 HA LEU 65 HA LEU 65 -8.907 -22.957 -14.471 433 HB2 LEU 65 2HB LEU 65 -9.463 -25.569 -15.690 434 HB3 LEU 65 3HB LEU 65 -10.682 -25.015 -14.545 435 HG LEU 65 HG LEU 65 -10.048 -22.874 -16.326 436 HD11 LEU 65 1HD1 LEU 65 -9.337 -24.278 -18.031 437 HD12 LEU 65 2HD1 LEU 65 -11.055 -24.077 -18.372 438 HD13 LEU 65 3HD1 LEU 65 -10.477 -25.551 -17.595 439 HD21 LEU 65 1HD2 LEU 65 -12.173 -23.601 -14.962 440 HD22 LEU 65 2HD2 LEU 65 -12.582 -24.435 -16.462 441 HD23 LEU 65 3HD2 LEU 65 -12.327 -22.689 -16.464 442 H LEU 66 H LEU 66 -9.105 -22.495 -12.389 443 HA LEU 66 HA LEU 66 -8.888 -24.642 -10.409 444 HB2 LEU 66 2HB LEU 66 -8.494 -21.690 -10.359 445 HB3 LEU 66 3HB LEU 66 -8.938 -22.510 -8.863 446 HG LEU 66 HG LEU 66 -6.497 -22.119 -9.133 447 HD11 LEU 66 1HD1 LEU 66 -7.225 -25.041 -9.093 448 HD12 LEU 66 2HD1 LEU 66 -7.463 -23.943 -7.734 449 HD13 LEU 66 3HD1 LEU 66 -5.835 -24.268 -8.330 450 HD21 LEU 66 1HD2 LEU 66 -5.257 -23.537 -10.699 451 HD22 LEU 66 2HD2 LEU 66 -6.335 -22.424 -11.542 452 HD23 LEU 66 3HD2 LEU 66 -6.779 -24.123 -11.370 453 H LEU 67 H LEU 67 -10.812 -25.579 -10.067 454 HA LEU 67 HA LEU 67 -13.325 -24.439 -10.396 455 HB2 LEU 67 2HB LEU 67 -12.230 -26.878 -9.338 456 HB3 LEU 67 3HB LEU 67 -13.575 -26.330 -8.340 457 HG LEU 67 HG LEU 67 -14.994 -26.266 -10.377 458 HD11 LEU 67 1HD1 LEU 67 -12.456 -27.238 -11.622 459 HD12 LEU 67 2HD1 LEU 67 -13.583 -26.007 -12.189 460 HD13 LEU 67 3HD1 LEU 67 -14.017 -27.713 -12.291 461 HD21 LEU 67 1HD2 LEU 67 -13.681 -28.891 -9.685 462 HD22 LEU 67 2HD2 LEU 67 -15.175 -28.730 -10.609 463 HD23 LEU 67 3HD2 LEU 67 -15.112 -28.184 -8.932 464 H ASP 68 H ASP 68 -11.083 -24.179 -7.772 465 HA ASP 68 HA ASP 68 -13.076 -22.624 -6.256 466 HB2 ASP 68 2HB ASP 68 -11.242 -24.751 -5.401 467 HB3 ASP 68 3HB ASP 68 -11.182 -23.311 -4.390 468 H ASP 69 H ASP 69 -12.453 -20.662 -5.417 469 HA ASP 69 HA ASP 69 -10.009 -19.543 -6.561 470 HB2 ASP 69 2HB ASP 69 -12.029 -17.936 -5.033 471 HB3 ASP 69 3HB ASP 69 -10.987 -17.438 -6.363 472 H SER 70 H SER 70 -9.669 -21.341 -4.416 473 HA SER 70 HA SER 70 -9.128 -19.696 -2.071 474 HB2 SER 70 2HB SER 70 -9.686 -22.484 -2.540 475 HB3 SER 70 3HB SER 70 -8.179 -22.316 -1.639 476 HG SER 70 HG SER 70 -10.667 -22.059 -0.745 477 H VAL 71 H VAL 71 -7.439 -21.478 -4.581 478 HA VAL 71 HA VAL 71 -4.856 -21.456 -3.534 479 HB VAL 71 HB VAL 71 -4.096 -21.502 -5.933 480 HG11 VAL 71 1HG1 VAL 71 -5.575 -23.412 -4.443 481 HG12 VAL 71 2HG1 VAL 71 -6.025 -23.575 -6.142 482 HG13 VAL 71 3HG1 VAL 71 -4.332 -23.692 -5.661 483 HG21 VAL 71 1HG2 VAL 71 -5.464 -21.065 -7.656 484 HG22 VAL 71 2HG2 VAL 71 -6.824 -21.911 -6.918 485 HG23 VAL 71 3HG2 VAL 71 -6.463 -20.249 -6.453 486 H THR 72 H THR 72 -3.245 -19.983 -3.434 487 HA THR 72 HA THR 72 -3.944 -17.209 -3.808 488 HB THR 72 HB THR 72 -1.990 -16.659 -2.640 489 HG1 THR 72 HG1 THR 72 -0.191 -17.975 -2.553 490 HG21 THR 72 1HG2 THR 72 -2.258 -19.326 -1.378 491 HG22 THR 72 2HG2 THR 72 -3.728 -18.361 -1.513 492 HG23 THR 72 3HG2 THR 72 -2.327 -17.719 -0.657 493 H LEU 73 H LEU 73 -1.689 -15.958 -4.574 494 HA LEU 73 HA LEU 73 -1.711 -16.291 -7.395 495 HB2 LEU 73 2HB LEU 73 -0.497 -14.471 -5.447 496 HB3 LEU 73 3HB LEU 73 0.468 -14.720 -6.901 497 HG LEU 73 HG LEU 73 -1.450 -13.993 -8.268 498 HD11 LEU 73 1HD1 LEU 73 -2.919 -14.488 -5.963 499 HD12 LEU 73 2HD1 LEU 73 -3.503 -13.751 -7.455 500 HD13 LEU 73 3HD1 LEU 73 -2.931 -12.732 -6.134 501 HD21 LEU 73 1HD2 LEU 73 -0.922 -11.902 -6.184 502 HD22 LEU 73 2HD2 LEU 73 -1.128 -11.707 -7.925 503 HD23 LEU 73 3HD2 LEU 73 0.343 -12.443 -7.287 504 H GLN 74 H GLN 74 0.822 -16.817 -4.945 505 HA GLN 74 HA GLN 74 2.644 -17.968 -6.822 506 HB2 GLN 74 2HB GLN 74 2.588 -17.802 -3.816 507 HB3 GLN 74 3HB GLN 74 3.847 -18.681 -4.672 508 HG2 GLN 74 2HG GLN 74 4.689 -16.739 -5.665 509 HG3 GLN 74 3HG GLN 74 3.237 -15.814 -5.288 510 HE21 GLN 74 1HE2 GLN 74 4.876 -14.301 -4.457 511 HE22 GLN 74 2HE2 GLN 74 5.414 -14.494 -2.827 512 H THR 75 H THR 75 0.158 -19.189 -4.710 513 HA THR 75 HA THR 75 0.900 -21.872 -4.538 514 HB THR 75 HB THR 75 -1.877 -20.680 -4.635 515 HG1 THR 75 HG1 THR 75 -0.376 -20.073 -2.883 516 HG21 THR 75 1HG2 THR 75 -0.912 -23.451 -3.962 517 HG22 THR 75 2HG2 THR 75 -2.165 -22.975 -5.108 518 HG23 THR 75 3HG2 THR 75 -2.450 -22.820 -3.375 519 H VAL 76 H VAL 76 -1.023 -20.193 -7.001 520 HA VAL 76 HA VAL 76 -1.494 -22.556 -8.545 521 HB VAL 76 HB VAL 76 -3.041 -20.664 -8.648 522 HG11 VAL 76 1HG1 VAL 76 -0.654 -19.221 -9.765 523 HG12 VAL 76 2HG1 VAL 76 -2.306 -18.664 -10.037 524 HG13 VAL 76 3HG1 VAL 76 -1.669 -18.769 -8.396 525 HG21 VAL 76 1HG2 VAL 76 -2.632 -22.271 -10.594 526 HG22 VAL 76 2HG2 VAL 76 -3.488 -20.770 -10.948 527 HG23 VAL 76 3HG2 VAL 76 -1.781 -20.930 -11.361 528 H GLY 77 H GLY 77 1.037 -20.208 -8.354 529 HA2 GLY 77 2HA GLY 77 3.199 -20.603 -9.245 530 HA3 GLY 77 3HA GLY 77 2.479 -21.648 -10.460 531 H VAL 78 H VAL 78 1.410 -18.395 -9.619 532 HA VAL 78 HA VAL 78 1.336 -17.571 -12.329 533 HB VAL 78 HB VAL 78 -0.108 -16.627 -10.523 534 HG11 VAL 78 1HG1 VAL 78 2.181 -14.845 -9.781 535 HG12 VAL 78 2HG1 VAL 78 0.679 -15.158 -8.908 536 HG13 VAL 78 3HG1 VAL 78 1.942 -16.388 -8.962 537 HG21 VAL 78 1HG2 VAL 78 0.720 -15.479 -12.801 538 HG22 VAL 78 2HG2 VAL 78 -0.432 -14.720 -11.702 539 HG23 VAL 78 3HG2 VAL 78 1.272 -14.267 -11.645 540 H LYS 79 H LYS 79 2.736 -16.403 -13.542 541 HA LYS 79 HA LYS 79 5.452 -16.149 -12.534 542 HB2 LYS 79 2HB LYS 79 4.243 -16.602 -15.090 543 HB3 LYS 79 3HB LYS 79 5.253 -15.165 -15.188 544 HG2 LYS 79 2HG LYS 79 6.948 -16.780 -13.908 545 HG3 LYS 79 3HG LYS 79 6.004 -17.992 -14.777 546 HD2 LYS 79 2HD LYS 79 6.472 -16.885 -16.885 547 HD3 LYS 79 3HD LYS 79 7.340 -15.600 -16.043 548 HE2 LYS 79 2HE LYS 79 8.217 -18.400 -15.586 549 HE3 LYS 79 3HE LYS 79 8.589 -17.668 -17.145 550 HZ1 LYS 79 1HZ LYS 79 9.188 -15.911 -14.981 551 HZ2 LYS 79 2HZ LYS 79 10.187 -16.448 -16.235 552 HZ3 LYS 79 3HZ LYS 79 10.020 -17.377 -14.831 553 H LYS 80 H LYS 80 6.640 -14.112 -13.495 554 HA LYS 80 HA LYS 80 5.858 -11.890 -12.062 555 HB2 LYS 80 2HB LYS 80 7.977 -12.549 -13.740 556 HB3 LYS 80 3HB LYS 80 7.248 -11.145 -14.508 557 HG2 LYS 80 2HG LYS 80 7.854 -9.743 -12.838 558 HG3 LYS 80 3HG LYS 80 7.698 -10.982 -11.591 559 HD2 LYS 80 2HD LYS 80 9.887 -11.132 -13.631 560 HD3 LYS 80 3HD LYS 80 10.055 -10.107 -12.204 561 HE2 LYS 80 2HE LYS 80 9.366 -12.233 -10.898 562 HE3 LYS 80 3HE LYS 80 9.804 -13.087 -12.377 563 HZ1 LYS 80 1HZ LYS 80 12.015 -12.243 -12.233 564 HZ2 LYS 80 2HZ LYS 80 11.626 -12.919 -10.732 565 HZ3 LYS 80 3HZ LYS 80 11.621 -11.239 -10.929 566 H ASP 81 H ASP 81 5.297 -12.547 -15.511 567 HA ASP 81 HA ASP 81 3.938 -10.174 -16.109 568 HB2 ASP 81 2HB ASP 81 4.140 -12.870 -17.344 569 HB3 ASP 81 3HB ASP 81 2.801 -11.850 -17.863 570 H SER 82 H SER 82 2.740 -13.294 -14.945 571 HA SER 82 HA SER 82 0.710 -13.955 -14.145 572 HB2 SER 82 2HB SER 82 1.395 -12.350 -12.377 573 HB3 SER 82 3HB SER 82 0.541 -11.070 -13.239 574 HG SER 82 HG SER 82 -0.933 -11.786 -11.823 575 H VAL 83 H VAL 83 0.149 -14.042 -16.524 576 HA VAL 83 HA VAL 83 -2.074 -12.194 -17.106 577 HB VAL 83 HB VAL 83 -0.334 -11.888 -18.741 578 HG11 VAL 83 1HG1 VAL 83 0.067 -14.673 -18.388 579 HG12 VAL 83 2HG1 VAL 83 -0.280 -14.384 -20.094 580 HG13 VAL 83 3HG1 VAL 83 1.047 -13.530 -19.305 581 HG21 VAL 83 1HG2 VAL 83 -2.572 -13.551 -19.891 582 HG22 VAL 83 2HG2 VAL 83 -2.637 -11.821 -19.554 583 HG23 VAL 83 3HG2 VAL 83 -1.545 -12.438 -20.794 584 H PHE 84 H PHE 84 -4.009 -13.098 -16.972 585 HA PHE 84 HA PHE 84 -4.254 -16.005 -17.149 586 HB2 PHE 84 2HB PHE 84 -6.075 -13.842 -16.104 587 HB3 PHE 84 3HB PHE 84 -6.628 -15.497 -16.334 588 HD1 PHE 84 HD1 PHE 84 -7.086 -14.953 -13.781 589 HD2 PHE 84 HD2 PHE 84 -3.246 -15.613 -15.495 590 HE1 PHE 84 HE1 PHE 84 -6.203 -15.553 -11.564 591 HE2 PHE 84 HE2 PHE 84 -2.358 -16.215 -13.282 592 HZ PHE 84 HZ PHE 84 -3.837 -16.187 -11.312 593 H VAL 85 H VAL 85 -5.392 -17.046 -18.703 594 HA VAL 85 HA VAL 85 -6.260 -15.439 -20.989 595 HB VAL 85 HB VAL 85 -5.838 -18.423 -20.765 596 HG11 VAL 85 1HG1 VAL 85 -7.362 -18.249 -22.484 597 HG12 VAL 85 2HG1 VAL 85 -6.779 -16.660 -22.983 598 HG13 VAL 85 3HG1 VAL 85 -5.835 -18.103 -23.354 599 HG21 VAL 85 1HG2 VAL 85 -3.691 -18.087 -21.241 600 HG22 VAL 85 2HG2 VAL 85 -4.097 -17.023 -22.588 601 HG23 VAL 85 3HG2 VAL 85 -3.960 -16.367 -20.956 602 H LEU 86 H LEU 86 -8.323 -14.817 -20.879 603 HA LEU 86 HA LEU 86 -10.319 -16.655 -19.771 604 HB2 LEU 86 2HB LEU 86 -10.018 -14.156 -19.102 605 HB3 LEU 86 3HB LEU 86 -10.898 -13.840 -20.596 606 HG LEU 86 HG LEU 86 -11.980 -15.595 -18.402 607 HD11 LEU 86 1HD1 LEU 86 -12.799 -12.748 -18.831 608 HD12 LEU 86 2HD1 LEU 86 -11.461 -13.155 -17.757 609 HD13 LEU 86 3HD1 LEU 86 -13.075 -13.790 -17.435 610 HD21 LEU 86 1HD2 LEU 86 -12.838 -14.835 -21.051 611 HD22 LEU 86 2HD2 LEU 86 -14.017 -14.347 -19.832 612 HD23 LEU 86 3HD2 LEU 86 -13.514 -16.035 -19.949 613 H VAL 87 H VAL 87 -11.862 -17.578 -20.989 614 HA VAL 87 HA VAL 87 -12.353 -16.582 -23.695 615 HB VAL 87 HB VAL 87 -12.296 -18.941 -24.567 616 HG11 VAL 87 1HG1 VAL 87 -9.788 -19.006 -24.713 617 HG12 VAL 87 2HG1 VAL 87 -10.527 -17.472 -25.174 618 HG13 VAL 87 3HG1 VAL 87 -9.759 -17.643 -23.595 619 HG21 VAL 87 1HG2 VAL 87 -10.793 -19.467 -22.004 620 HG22 VAL 87 2HG2 VAL 87 -12.401 -20.078 -22.393 621 HG23 VAL 87 3HG2 VAL 87 -11.007 -20.601 -23.339 622 H ARG 88 H ARG 88 -14.424 -16.834 -24.382 623 HA ARG 88 HA ARG 88 -16.362 -17.677 -22.412 624 HB2 ARG 88 2HB ARG 88 -16.327 -15.861 -24.573 625 HB3 ARG 88 3HB ARG 88 -17.533 -17.079 -24.968 626 HG2 ARG 88 2HG ARG 88 -17.900 -16.367 -22.255 627 HG3 ARG 88 3HG ARG 88 -17.738 -14.878 -23.187 628 HD2 ARG 88 2HD ARG 88 -19.448 -16.949 -24.392 629 HD3 ARG 88 3HD ARG 88 -20.052 -16.248 -22.890 630 HE ARG 88 HE ARG 88 -19.190 -14.247 -24.729 631 HH11 ARG 88 1HH1 ARG 88 -21.809 -16.412 -23.971 632 HH12 ARG 88 2HH1 ARG 88 -23.016 -15.426 -24.727 633 HH21 ARG 88 1HH2 ARG 88 -20.770 -12.940 -25.727 634 HH22 ARG 88 2HH2 ARG 88 -22.424 -13.451 -25.727 635 H LYS 89 H LYS 89 -17.160 -19.657 -22.260 636 HA LYS 89 HA LYS 89 -16.784 -21.523 -24.482 637 HB2 LYS 89 2HB LYS 89 -17.249 -23.279 -22.855 638 HB3 LYS 89 3HB LYS 89 -15.984 -22.210 -22.262 639 HG2 LYS 89 2HG LYS 89 -17.575 -21.085 -20.818 640 HG3 LYS 89 3HG LYS 89 -18.882 -22.091 -21.448 641 HD2 LYS 89 2HD LYS 89 -16.443 -23.253 -20.125 642 HD3 LYS 89 3HD LYS 89 -17.879 -22.780 -19.215 643 HE2 LYS 89 2HE LYS 89 -19.235 -24.340 -20.429 644 HE3 LYS 89 3HE LYS 89 -17.911 -24.704 -21.535 645 HZ1 LYS 89 1HZ LYS 89 -18.258 -25.520 -18.728 646 HZ2 LYS 89 2HZ LYS 89 -16.702 -25.412 -19.381 647 HZ3 LYS 89 3HZ LYS 89 -17.837 -26.460 -20.071 648 H ALA 90 H ALA 90 -19.269 -19.912 -22.647 649 HA ALA 90 HA ALA 90 -21.300 -21.200 -24.353 650 HB1 ALA 90 1HB ALA 90 -22.827 -21.301 -22.602 651 HB2 ALA 90 2HB ALA 90 -21.304 -21.760 -21.839 652 HB3 ALA 90 3HB ALA 90 -21.938 -20.128 -21.629 Start of MODEL 19 1 H1 MET 10 H MET 10 4.082 -0.790 -4.950 2 HA MET 10 HA MET 10 4.840 1.395 -4.094 3 HB2 MET 10 2HB MET 10 2.146 1.547 -3.425 4 HB3 MET 10 3HB MET 10 2.962 1.421 -1.872 5 HG2 MET 10 2HG MET 10 4.502 3.282 -2.851 6 HG3 MET 10 3HG MET 10 3.144 3.555 -3.941 7 HE1 MET 10 1HE MET 10 2.951 2.860 0.280 8 HE2 MET 10 2HE MET 10 4.471 3.227 -0.535 9 HE3 MET 10 3HE MET 10 3.656 4.471 0.413 10 H SER 11 H SER 11 3.640 -1.508 -2.591 11 HA SER 11 HA SER 11 6.107 -1.705 -1.049 12 HB2 SER 11 2HB SER 11 3.452 -1.251 0.117 13 HB3 SER 11 3HB SER 11 4.292 -2.647 0.791 14 HG SER 11 HG SER 11 4.886 -0.832 1.950 15 H GLU 12 H GLU 12 2.979 -3.302 -1.663 16 HA GLU 12 HA GLU 12 4.441 -5.743 -2.364 17 HB2 GLU 12 2HB GLU 12 3.677 -5.897 0.012 18 HB3 GLU 12 3HB GLU 12 2.021 -5.729 -0.555 19 HG2 GLU 12 2HG GLU 12 1.969 -7.940 -0.674 20 HG3 GLU 12 3HG GLU 12 3.015 -7.794 -2.086 21 H THR 13 H THR 13 3.702 -4.427 -4.401 22 HA THR 13 HA THR 13 0.941 -5.024 -5.139 23 HB THR 13 HB THR 13 2.166 -3.888 -7.361 24 HG1 THR 13 HG1 THR 13 3.308 -2.113 -6.490 25 HG21 THR 13 1HG2 THR 13 0.446 -2.851 -5.140 26 HG22 THR 13 2HG2 THR 13 0.030 -3.158 -6.827 27 HG23 THR 13 3HG2 THR 13 1.015 -1.759 -6.401 28 H ILE 14 H ILE 14 0.372 -6.284 -6.923 29 HA ILE 14 HA ILE 14 2.500 -7.832 -8.212 30 HB ILE 14 HB ILE 14 0.052 -9.076 -6.952 31 HG12 ILE 14 2HG1 ILE 14 2.988 -9.332 -6.264 32 HG13 ILE 14 3HG1 ILE 14 1.776 -8.487 -5.308 33 HG21 ILE 14 1HG2 ILE 14 1.012 -11.208 -7.692 34 HG22 ILE 14 2HG2 ILE 14 0.632 -10.152 -9.052 35 HG23 ILE 14 3HG2 ILE 14 2.302 -10.333 -8.517 36 HD11 ILE 14 1HD1 ILE 14 2.318 -11.371 -5.567 37 HD12 ILE 14 2HD1 ILE 14 1.769 -10.433 -4.177 38 HD13 ILE 14 3HD1 ILE 14 0.625 -10.895 -5.437 39 HA PRO 15 HA PRO 15 -0.265 -6.402 -11.498 40 HB2 PRO 15 2HB PRO 15 1.576 -6.718 -13.469 41 HB3 PRO 15 3HB PRO 15 1.537 -5.305 -12.407 42 HG2 PRO 15 2HG PRO 15 3.267 -7.743 -12.253 43 HG3 PRO 15 3HG PRO 15 3.709 -6.041 -12.023 44 HD2 PRO 15 2HD PRO 15 3.290 -7.730 -9.949 45 HD3 PRO 15 3HD PRO 15 2.916 -5.997 -9.859 46 H VAL 16 H VAL 16 -1.220 -7.441 -13.313 47 HA VAL 16 HA VAL 16 -0.502 -10.196 -13.884 48 HB VAL 16 HB VAL 16 -2.787 -11.044 -13.506 49 HG11 VAL 16 1HG1 VAL 16 -0.969 -11.252 -11.801 50 HG12 VAL 16 2HG1 VAL 16 -1.651 -9.843 -10.986 51 HG13 VAL 16 3HG1 VAL 16 -2.603 -11.321 -11.142 52 HG21 VAL 16 1HG2 VAL 16 -3.601 -8.917 -11.695 53 HG22 VAL 16 2HG2 VAL 16 -3.488 -8.381 -13.372 54 HG23 VAL 16 3HG2 VAL 16 -4.520 -9.747 -12.951 55 H SER 17 H SER 17 -1.438 -11.004 -15.811 56 HA SER 17 HA SER 17 -2.564 -8.899 -17.536 57 HB2 SER 17 2HB SER 17 -0.253 -10.050 -18.025 58 HB3 SER 17 3HB SER 17 -1.259 -11.361 -18.641 59 HG SER 17 HG SER 17 -2.320 -9.638 -19.914 60 H VAL 18 H VAL 18 -4.386 -9.291 -18.715 61 HA VAL 18 HA VAL 18 -5.596 -11.960 -18.548 62 HB VAL 18 HB VAL 18 -7.166 -9.431 -18.054 63 HG11 VAL 18 1HG1 VAL 18 -8.350 -11.855 -17.083 64 HG12 VAL 18 2HG1 VAL 18 -8.978 -10.700 -18.260 65 HG13 VAL 18 3HG1 VAL 18 -7.943 -12.027 -18.790 66 HG21 VAL 18 1HG2 VAL 18 -7.255 -10.878 -15.726 67 HG22 VAL 18 2HG2 VAL 18 -5.577 -11.071 -16.234 68 HG23 VAL 18 3HG2 VAL 18 -6.251 -9.456 -16.010 69 H GLN 19 H GLN 19 -6.665 -12.603 -20.350 70 HA GLN 19 HA GLN 19 -6.727 -10.697 -22.590 71 HB2 GLN 19 2HB GLN 19 -5.550 -13.187 -22.447 72 HB3 GLN 19 3HB GLN 19 -7.073 -13.523 -23.260 73 HG2 GLN 19 2HG GLN 19 -5.878 -11.182 -24.389 74 HG3 GLN 19 3HG GLN 19 -4.708 -12.500 -24.367 75 HE21 GLN 19 1HE2 GLN 19 -4.664 -13.428 -26.279 76 HE22 GLN 19 2HE2 GLN 19 -6.035 -13.841 -27.244 77 H CYS 20 H CYS 20 -8.589 -10.287 -23.657 78 HA CYS 20 HA CYS 20 -10.958 -11.889 -22.999 79 HB2 CYS 20 2HB CYS 20 -10.655 -9.594 -21.720 80 HB3 CYS 20 3HB CYS 20 -11.255 -8.925 -23.233 81 HG CYS 20 HG CYS 20 -13.362 -11.205 -22.747 82 H CYS 21 H CYS 21 -12.589 -11.905 -24.586 83 HA CYS 21 HA CYS 21 -11.714 -11.897 -27.234 84 HB2 CYS 21 2HB CYS 21 -14.421 -11.967 -25.946 85 HB3 CYS 21 3HB CYS 21 -14.290 -11.828 -27.695 86 HG CYS 21 HG CYS 21 -12.814 -14.219 -27.961 87 H GLU 22 H GLU 22 -12.860 -9.326 -25.254 88 HA GLU 22 HA GLU 22 -13.403 -7.593 -27.536 89 HB2 GLU 22 2HB GLU 22 -14.500 -7.755 -25.009 90 HB3 GLU 22 3HB GLU 22 -13.443 -6.356 -24.887 91 HG2 GLU 22 2HG GLU 22 -15.364 -5.357 -25.586 92 HG3 GLU 22 3HG GLU 22 -14.596 -5.677 -27.139 93 H GLY 23 H GLY 23 -10.906 -8.290 -25.264 94 HA2 GLY 23 2HA GLY 23 -8.855 -7.036 -26.545 95 HA3 GLY 23 3HA GLY 23 -9.536 -5.773 -25.530 96 H ARG 24 H ARG 24 -7.131 -6.081 -24.840 97 HA ARG 24 HA ARG 24 -6.983 -8.123 -22.728 98 HB2 ARG 24 2HB ARG 24 -4.555 -7.822 -22.812 99 HB3 ARG 24 3HB ARG 24 -5.195 -8.247 -24.394 100 HG2 ARG 24 2HG ARG 24 -3.987 -6.541 -25.155 101 HG3 ARG 24 3HG ARG 24 -5.236 -5.509 -24.454 102 HD2 ARG 24 2HD ARG 24 -3.956 -5.369 -22.376 103 HD3 ARG 24 3HD ARG 24 -2.714 -6.412 -23.068 104 HE ARG 24 HE ARG 24 -3.059 -4.213 -24.761 105 HH11 ARG 24 1HH1 ARG 24 -1.899 -4.935 -21.559 106 HH12 ARG 24 2HH1 ARG 24 -0.778 -3.615 -21.526 107 HH21 ARG 24 1HH2 ARG 24 -1.587 -2.471 -24.729 108 HH22 ARG 24 2HH2 ARG 24 -0.602 -2.213 -23.329 109 H PHE 25 H PHE 25 -6.572 -7.565 -20.630 110 HA PHE 25 HA PHE 25 -6.133 -4.743 -19.991 111 HB2 PHE 25 2HB PHE 25 -8.638 -5.445 -19.948 112 HB3 PHE 25 3HB PHE 25 -8.207 -6.286 -18.462 113 HD1 PHE 25 HD1 PHE 25 -8.121 -5.144 -16.439 114 HD2 PHE 25 HD2 PHE 25 -8.130 -2.951 -20.087 115 HE1 PHE 25 HE1 PHE 25 -8.384 -3.049 -15.175 116 HE2 PHE 25 HE2 PHE 25 -8.393 -0.853 -18.829 117 HZ PHE 25 HZ PHE 25 -8.519 -0.900 -16.370 118 H GLU 26 H GLU 26 -5.091 -4.370 -18.036 119 HA GLU 26 HA GLU 26 -4.046 -6.784 -16.708 120 HB2 GLU 26 2HB GLU 26 -2.006 -5.591 -16.254 121 HB3 GLU 26 3HB GLU 26 -2.356 -5.467 -17.972 122 HG2 GLU 26 2HG GLU 26 -3.124 -3.220 -17.725 123 HG3 GLU 26 3HG GLU 26 -3.029 -3.329 -15.968 124 H LEU 27 H LEU 27 -3.728 -6.712 -14.441 125 HA LEU 27 HA LEU 27 -4.990 -4.486 -13.015 126 HB2 LEU 27 2HB LEU 27 -6.650 -6.319 -13.389 127 HB3 LEU 27 3HB LEU 27 -5.613 -7.375 -12.432 128 HG LEU 27 HG LEU 27 -5.931 -5.802 -10.509 129 HD11 LEU 27 1HD1 LEU 27 -6.877 -4.066 -12.378 130 HD12 LEU 27 2HD1 LEU 27 -7.157 -3.933 -10.643 131 HD13 LEU 27 3HD1 LEU 27 -8.373 -4.684 -11.677 132 HD21 LEU 27 1HD2 LEU 27 -7.327 -7.926 -11.125 133 HD22 LEU 27 2HD2 LEU 27 -8.617 -6.754 -11.396 134 HD23 LEU 27 3HD2 LEU 27 -7.845 -6.868 -9.813 135 H SER 28 H SER 28 -4.389 -4.324 -10.788 136 HA SER 28 HA SER 28 -2.052 -5.935 -10.020 137 HB2 SER 28 2HB SER 28 -2.309 -2.936 -10.052 138 HB3 SER 28 3HB SER 28 -1.182 -3.740 -8.960 139 HG SER 28 HG SER 28 -1.209 -3.753 -11.786 140 H VAL 29 H VAL 29 -2.255 -6.817 -8.075 141 HA VAL 29 HA VAL 29 -3.720 -5.434 -5.972 142 HB VAL 29 HB VAL 29 -5.419 -6.824 -7.120 143 HG11 VAL 29 1HG1 VAL 29 -4.617 -9.388 -6.143 144 HG12 VAL 29 2HG1 VAL 29 -4.978 -8.892 -7.798 145 HG13 VAL 29 3HG1 VAL 29 -3.340 -8.726 -7.163 146 HG21 VAL 29 1HG2 VAL 29 -6.381 -7.717 -5.152 147 HG22 VAL 29 2HG2 VAL 29 -4.803 -7.957 -4.401 148 HG23 VAL 29 3HG2 VAL 29 -5.426 -6.325 -4.641 149 H ASP 30 H ASP 30 -3.239 -6.179 -3.870 150 HA ASP 30 HA ASP 30 -0.620 -7.354 -3.636 151 HB2 ASP 30 2HB ASP 30 -2.585 -6.429 -1.529 152 HB3 ASP 30 3HB ASP 30 -0.938 -6.960 -1.201 153 H SER 31 H SER 31 -0.076 -9.328 -2.809 154 HA SER 31 HA SER 31 -2.133 -11.356 -2.889 155 HB2 SER 31 2HB SER 31 -0.095 -11.996 -3.917 156 HB3 SER 31 3HB SER 31 0.864 -11.440 -2.546 157 HG SER 31 HG SER 31 -1.044 -13.462 -2.165 158 H ASN 32 H ASN 32 -3.100 -12.299 -1.203 159 HA ASN 32 HA ASN 32 -1.980 -12.680 1.339 160 HB2 ASN 32 2HB ASN 32 -3.231 -11.054 2.671 161 HB3 ASN 32 3HB ASN 32 -2.186 -10.231 1.518 162 HD21 ASN 32 1HD2 ASN 32 -3.245 -9.629 -0.566 163 HD22 ASN 32 2HD2 ASN 32 -4.866 -9.035 -0.486 164 H HIS 33 H HIS 33 -4.994 -12.044 -0.408 165 HA HIS 33 HA HIS 33 -6.379 -14.044 1.214 166 HB2 HIS 33 2HB HIS 33 -7.180 -11.699 -0.321 167 HB3 HIS 33 3HB HIS 33 -8.183 -13.103 -0.675 168 HD1 HIS 33 HD1 HIS 33 -9.100 -14.331 1.650 169 HD2 HIS 33 HD2 HIS 33 -8.033 -10.320 1.837 170 HE1 HIS 33 HE1 HIS 33 -10.228 -13.430 3.710 171 H THR 34 H THR 34 -7.987 -15.430 -0.115 172 HA THR 34 HA THR 34 -6.419 -17.051 -1.877 173 HB THR 34 HB THR 34 -8.112 -17.989 -0.304 174 HG1 THR 34 HG1 THR 34 -8.981 -18.761 -2.850 175 HG21 THR 34 1HG2 THR 34 -9.812 -16.130 -1.623 176 HG22 THR 34 2HG2 THR 34 -10.197 -17.209 -0.282 177 HG23 THR 34 3HG2 THR 34 -10.422 -17.752 -1.945 178 H LEU 35 H LEU 35 -7.633 -17.898 -3.939 179 HA LEU 35 HA LEU 35 -7.548 -15.933 -5.875 180 HB2 LEU 35 2HB LEU 35 -7.724 -18.587 -5.952 181 HB3 LEU 35 3HB LEU 35 -9.407 -18.205 -6.309 182 HG LEU 35 HG LEU 35 -8.091 -18.595 -8.340 183 HD11 LEU 35 1HD1 LEU 35 -8.950 -16.802 -9.569 184 HD12 LEU 35 2HD1 LEU 35 -8.774 -15.677 -8.223 185 HD13 LEU 35 3HD1 LEU 35 -10.017 -16.926 -8.170 186 HD21 LEU 35 1HD2 LEU 35 -6.560 -16.107 -7.605 187 HD22 LEU 35 2HD2 LEU 35 -6.314 -17.149 -9.007 188 HD23 LEU 35 3HD2 LEU 35 -5.940 -17.744 -7.388 189 H ARG 36 H ARG 36 -10.183 -16.863 -3.801 190 HA ARG 36 HA ARG 36 -12.382 -15.894 -5.157 191 HB2 ARG 36 2HB ARG 36 -12.072 -16.991 -2.754 192 HB3 ARG 36 3HB ARG 36 -12.180 -15.313 -2.242 193 HG2 ARG 36 2HG ARG 36 -14.304 -15.361 -3.830 194 HG3 ARG 36 3HG ARG 36 -14.245 -17.077 -3.422 195 HD2 ARG 36 2HD ARG 36 -13.843 -15.453 -1.076 196 HD3 ARG 36 3HD ARG 36 -15.335 -15.000 -1.899 197 HE ARG 36 HE ARG 36 -15.237 -17.790 -1.720 198 HH11 ARG 36 1HH1 ARG 36 -15.540 -15.007 0.350 199 HH12 ARG 36 2HH1 ARG 36 -16.460 -15.843 1.557 200 HH21 ARG 36 1HH2 ARG 36 -16.448 -18.901 -0.138 201 HH22 ARG 36 2HH2 ARG 36 -16.975 -18.058 1.279 202 H ASP 37 H ASP 37 -10.097 -14.107 -3.118 203 HA ASP 37 HA ASP 37 -11.407 -11.609 -3.315 204 HB2 ASP 37 2HB ASP 37 -9.827 -11.963 -1.541 205 HB3 ASP 37 3HB ASP 37 -8.540 -12.326 -2.687 206 H VAL 38 H VAL 38 -8.684 -13.017 -5.110 207 HA VAL 38 HA VAL 38 -8.102 -10.840 -6.745 208 HB VAL 38 HB VAL 38 -7.918 -13.737 -7.575 209 HG11 VAL 38 1HG1 VAL 38 -5.874 -11.769 -8.368 210 HG12 VAL 38 2HG1 VAL 38 -6.612 -13.079 -9.292 211 HG13 VAL 38 3HG1 VAL 38 -7.468 -11.550 -9.089 212 HG21 VAL 38 1HG2 VAL 38 -6.567 -12.315 -5.458 213 HG22 VAL 38 2HG2 VAL 38 -6.501 -14.026 -5.882 214 HG23 VAL 38 3HG2 VAL 38 -5.422 -12.878 -6.676 215 H LEU 39 H LEU 39 -10.460 -13.442 -7.175 216 HA LEU 39 HA LEU 39 -11.276 -12.645 -9.780 217 HB2 LEU 39 2HB LEU 39 -11.817 -14.759 -7.999 218 HB3 LEU 39 3HB LEU 39 -13.365 -14.001 -8.364 219 HG LEU 39 HG LEU 39 -13.036 -14.391 -10.731 220 HD11 LEU 39 1HD1 LEU 39 -10.996 -14.578 -11.573 221 HD12 LEU 39 2HD1 LEU 39 -10.836 -16.148 -10.787 222 HD13 LEU 39 3HD1 LEU 39 -10.305 -14.687 -9.954 223 HD21 LEU 39 1HD2 LEU 39 -13.557 -16.622 -10.711 224 HD22 LEU 39 2HD2 LEU 39 -13.808 -16.221 -9.011 225 HD23 LEU 39 3HD2 LEU 39 -12.316 -17.015 -9.520 226 H ARG 40 H ARG 40 -12.355 -11.870 -6.526 227 HA ARG 40 HA ARG 40 -14.788 -10.649 -7.106 228 HB2 ARG 40 2HB ARG 40 -13.016 -10.837 -4.866 229 HB3 ARG 40 3HB ARG 40 -13.548 -9.168 -5.029 230 HG2 ARG 40 2HG ARG 40 -15.911 -10.120 -5.183 231 HG3 ARG 40 3HG ARG 40 -15.206 -11.625 -4.589 232 HD2 ARG 40 2HD ARG 40 -15.391 -10.840 -2.520 233 HD3 ARG 40 3HD ARG 40 -14.217 -9.590 -2.929 234 HE ARG 40 HE ARG 40 -16.597 -8.621 -3.850 235 HH11 ARG 40 1HH1 ARG 40 -15.420 -9.754 -0.776 236 HH12 ARG 40 2HH1 ARG 40 -16.460 -8.721 0.150 237 HH21 ARG 40 1HH2 ARG 40 -17.970 -7.257 -2.643 238 HH22 ARG 40 2HH2 ARG 40 -17.910 -7.302 -0.914 239 H GLN 41 H GLN 41 -11.525 -9.254 -7.021 240 HA GLN 41 HA GLN 41 -12.416 -6.632 -7.742 241 HB2 GLN 41 2HB GLN 41 -10.119 -7.643 -6.648 242 HB3 GLN 41 3HB GLN 41 -9.607 -7.297 -8.294 243 HG2 GLN 41 2HG GLN 41 -9.748 -5.065 -8.020 244 HG3 GLN 41 3HG GLN 41 -11.139 -5.175 -6.942 245 HE21 GLN 41 1HE2 GLN 41 -7.973 -6.717 -6.685 246 HE22 GLN 41 2HE2 GLN 41 -7.536 -5.978 -5.186 247 H PHE 42 H PHE 42 -10.684 -9.213 -9.478 248 HA PHE 42 HA PHE 42 -10.410 -7.973 -11.934 249 HB2 PHE 42 2HB PHE 42 -9.302 -10.045 -11.608 250 HB3 PHE 42 3HB PHE 42 -10.803 -10.872 -11.206 251 HD1 PHE 42 HD1 PHE 42 -11.880 -12.109 -12.825 252 HD2 PHE 42 HD2 PHE 42 -9.159 -9.059 -14.011 253 HE1 PHE 42 HE1 PHE 42 -12.122 -12.810 -15.171 254 HE2 PHE 42 HE2 PHE 42 -9.397 -9.755 -16.359 255 HZ PHE 42 HZ PHE 42 -10.881 -11.632 -16.942 256 H LYS 43 H LYS 43 -13.117 -9.966 -10.777 257 HA LYS 43 HA LYS 43 -14.667 -9.647 -13.143 258 HB2 LYS 43 2HB LYS 43 -16.354 -10.841 -12.031 259 HB3 LYS 43 3HB LYS 43 -14.860 -11.479 -11.358 260 HG2 LYS 43 2HG LYS 43 -15.174 -9.832 -9.460 261 HG3 LYS 43 3HG LYS 43 -16.803 -9.574 -10.090 262 HD2 LYS 43 2HD LYS 43 -15.807 -12.342 -9.526 263 HD3 LYS 43 3HD LYS 43 -16.437 -11.332 -8.223 264 HE2 LYS 43 2HE LYS 43 -18.014 -11.676 -10.738 265 HE3 LYS 43 3HE LYS 43 -18.027 -12.946 -9.515 266 HZ1 LYS 43 1HZ LYS 43 -18.425 -10.507 -8.219 267 HZ2 LYS 43 2HZ LYS 43 -19.521 -11.783 -8.397 268 HZ3 LYS 43 3HZ LYS 43 -19.474 -10.543 -9.546 269 H ARG 44 H ARG 44 -14.336 -7.841 -10.175 270 HA ARG 44 HA ARG 44 -16.704 -6.300 -10.418 271 HB2 ARG 44 2HB ARG 44 -15.649 -6.429 -8.277 272 HB3 ARG 44 3HB ARG 44 -14.124 -5.840 -8.925 273 HG2 ARG 44 2HG ARG 44 -15.034 -3.651 -9.253 274 HG3 ARG 44 3HG ARG 44 -16.651 -4.211 -8.825 275 HD2 ARG 44 2HD ARG 44 -16.120 -4.423 -6.576 276 HD3 ARG 44 3HD ARG 44 -14.388 -4.515 -6.894 277 HE ARG 44 HE ARG 44 -15.914 -2.159 -6.435 278 HH11 ARG 44 1HH1 ARG 44 -13.194 -3.410 -8.212 279 HH12 ARG 44 2HH1 ARG 44 -12.394 -1.877 -8.321 280 HH21 ARG 44 1HH2 ARG 44 -14.870 -0.135 -6.572 281 HH22 ARG 44 2HH2 ARG 44 -13.348 -0.015 -7.387 282 H GLU 45 H GLU 45 -13.576 -6.116 -11.883 283 HA GLU 45 HA GLU 45 -14.097 -3.409 -12.874 284 HB2 GLU 45 2HB GLU 45 -11.677 -5.075 -12.500 285 HB3 GLU 45 3HB GLU 45 -11.678 -4.017 -13.905 286 HG2 GLU 45 2HG GLU 45 -12.596 -2.573 -11.611 287 HG3 GLU 45 3HG GLU 45 -11.062 -3.363 -11.250 288 H VAL 46 H VAL 46 -13.525 -6.709 -13.991 289 HA VAL 46 HA VAL 46 -13.424 -6.270 -16.732 290 HB VAL 46 HB VAL 46 -13.154 -8.471 -15.340 291 HG11 VAL 46 1HG1 VAL 46 -14.988 -9.877 -15.150 292 HG12 VAL 46 2HG1 VAL 46 -15.667 -8.301 -14.738 293 HG13 VAL 46 3HG1 VAL 46 -15.926 -8.982 -16.345 294 HG21 VAL 46 1HG2 VAL 46 -13.706 -9.786 -17.451 295 HG22 VAL 46 2HG2 VAL 46 -14.218 -8.246 -18.142 296 HG23 VAL 46 3HG2 VAL 46 -12.550 -8.464 -17.613 297 H ALA 47 H ALA 47 -16.115 -6.139 -14.557 298 HA ALA 47 HA ALA 47 -18.207 -6.516 -16.419 299 HB1 ALA 47 1HB ALA 47 -19.077 -4.755 -14.378 300 HB2 ALA 47 2HB ALA 47 -19.379 -6.486 -14.537 301 HB3 ALA 47 3HB ALA 47 -17.965 -5.916 -13.651 302 H ALA 48 H ALA 48 -16.004 -3.977 -16.006 303 HA ALA 48 HA ALA 48 -17.576 -1.749 -16.718 304 HB1 ALA 48 1HB ALA 48 -15.429 -0.683 -17.306 305 HB2 ALA 48 2HB ALA 48 -15.393 -1.466 -15.726 306 HB3 ALA 48 3HB ALA 48 -14.628 -2.242 -17.112 307 H LEU 49 H LEU 49 -15.820 -4.129 -18.643 308 HA LEU 49 HA LEU 49 -16.942 -2.906 -21.077 309 HB2 LEU 49 2HB LEU 49 -15.100 -4.412 -22.156 310 HB3 LEU 49 3HB LEU 49 -14.692 -2.841 -21.470 311 HG LEU 49 HG LEU 49 -14.438 -5.189 -19.681 312 HD11 LEU 49 1HD1 LEU 49 -13.176 -5.102 -22.265 313 HD12 LEU 49 2HD1 LEU 49 -13.114 -6.355 -21.026 314 HD13 LEU 49 3HD1 LEU 49 -11.973 -5.011 -20.978 315 HD21 LEU 49 1HD2 LEU 49 -13.895 -2.654 -19.295 316 HD22 LEU 49 2HD2 LEU 49 -12.393 -3.065 -20.124 317 HD23 LEU 49 3HD2 LEU 49 -12.843 -3.910 -18.641 318 H ASP 50 H ASP 50 -16.791 -5.733 -19.110 319 HA ASP 50 HA ASP 50 -18.117 -7.352 -21.163 320 HB2 ASP 50 2HB ASP 50 -16.114 -8.165 -19.721 321 HB3 ASP 50 3HB ASP 50 -17.317 -8.362 -18.449 322 HA PRO 51 HA PRO 51 -21.878 -6.100 -19.001 323 HB2 PRO 51 2HB PRO 51 -23.546 -6.946 -20.968 324 HB3 PRO 51 3HB PRO 51 -22.689 -5.402 -21.034 325 HG2 PRO 51 2HG PRO 51 -22.008 -8.005 -22.347 326 HG3 PRO 51 3HG PRO 51 -21.945 -6.364 -23.016 327 HD2 PRO 51 2HD PRO 51 -19.740 -7.661 -22.130 328 HD3 PRO 51 3HD PRO 51 -19.921 -5.898 -22.018 329 H ILE 52 H ILE 52 -20.653 -9.134 -19.895 330 HA ILE 52 HA ILE 52 -22.934 -10.627 -18.866 331 HB ILE 52 HB ILE 52 -20.289 -11.669 -19.884 332 HG12 ILE 52 2HG1 ILE 52 -22.536 -12.215 -21.593 333 HG13 ILE 52 3HG1 ILE 52 -22.424 -10.482 -21.308 334 HG21 ILE 52 1HG2 ILE 52 -22.147 -13.639 -20.237 335 HG22 ILE 52 2HG2 ILE 52 -21.009 -13.542 -18.894 336 HG23 ILE 52 3HG2 ILE 52 -22.650 -12.925 -18.705 337 HD11 ILE 52 1HD1 ILE 52 -19.907 -11.859 -21.979 338 HD12 ILE 52 2HD1 ILE 52 -21.113 -11.741 -23.261 339 HD13 ILE 52 3HD1 ILE 52 -20.512 -10.279 -22.478 340 H ASN 53 H ASN 53 -22.873 -11.935 -17.041 341 HA ASN 53 HA ASN 53 -21.265 -10.988 -14.895 342 HB2 ASN 53 2HB ASN 53 -23.482 -12.875 -15.252 343 HB3 ASN 53 3HB ASN 53 -22.351 -13.348 -13.987 344 HD21 ASN 53 1HD2 ASN 53 -24.340 -12.986 -12.696 345 HD22 ASN 53 2HD2 ASN 53 -24.621 -11.394 -12.086 346 H LEU 54 H LEU 54 -19.748 -12.177 -13.635 347 HA LEU 54 HA LEU 54 -17.852 -13.607 -15.186 348 HB2 LEU 54 2HB LEU 54 -17.173 -12.220 -13.322 349 HB3 LEU 54 3HB LEU 54 -18.086 -13.232 -12.204 350 HG LEU 54 HG LEU 54 -16.419 -15.076 -13.234 351 HD11 LEU 54 1HD1 LEU 54 -14.179 -14.097 -13.401 352 HD12 LEU 54 2HD1 LEU 54 -14.879 -12.484 -13.271 353 HD13 LEU 54 3HD1 LEU 54 -15.253 -13.498 -14.664 354 HD21 LEU 54 1HD2 LEU 54 -15.222 -13.428 -11.099 355 HD22 LEU 54 2HD2 LEU 54 -15.574 -15.156 -11.141 356 HD23 LEU 54 3HD2 LEU 54 -16.866 -13.999 -10.814 357 H GLU 55 H GLU 55 -20.498 -14.554 -13.140 358 HA GLU 55 HA GLU 55 -19.664 -17.275 -12.814 359 HB2 GLU 55 2HB GLU 55 -21.304 -15.885 -11.358 360 HB3 GLU 55 3HB GLU 55 -22.506 -16.340 -12.557 361 HG2 GLU 55 2HG GLU 55 -21.918 -18.727 -12.126 362 HG3 GLU 55 3HG GLU 55 -20.902 -18.174 -10.796 363 H GLU 56 H GLU 56 -20.907 -15.546 -15.400 364 HA GLU 56 HA GLU 56 -22.438 -17.708 -16.563 365 HB2 GLU 56 2HB GLU 56 -21.584 -15.043 -17.707 366 HB3 GLU 56 3HB GLU 56 -22.666 -16.180 -18.500 367 HG2 GLU 56 2HG GLU 56 -23.177 -14.782 -15.884 368 HG3 GLU 56 3HG GLU 56 -23.899 -14.377 -17.440 369 H TYR 57 H TYR 57 -19.239 -17.216 -16.168 370 HA TYR 57 HA TYR 57 -18.547 -19.088 -18.238 371 HB2 TYR 57 2HB TYR 57 -16.899 -17.678 -19.362 372 HB3 TYR 57 3HB TYR 57 -18.507 -16.976 -19.501 373 HD1 TYR 57 HD1 TYR 57 -15.294 -16.714 -17.672 374 HD2 TYR 57 HD2 TYR 57 -18.956 -14.804 -18.694 375 HE1 TYR 57 HE1 TYR 57 -14.443 -14.600 -16.745 376 HE2 TYR 57 HE2 TYR 57 -18.115 -12.685 -17.771 377 HH TYR 57 HH TYR 57 -16.494 -11.744 -16.501 378 H VAL 58 H VAL 58 -16.117 -19.516 -18.198 379 HA VAL 58 HA VAL 58 -15.171 -19.318 -15.413 380 HB VAL 58 HB VAL 58 -14.418 -21.453 -17.410 381 HG11 VAL 58 1HG1 VAL 58 -13.849 -22.599 -15.143 382 HG12 VAL 58 2HG1 VAL 58 -12.728 -21.426 -15.836 383 HG13 VAL 58 3HG1 VAL 58 -13.810 -20.946 -14.528 384 HG21 VAL 58 1HG2 VAL 58 -16.541 -22.147 -17.094 385 HG22 VAL 58 2HG2 VAL 58 -15.899 -22.754 -15.568 386 HG23 VAL 58 3HG2 VAL 58 -16.743 -21.206 -15.616 387 H VAL 59 H VAL 59 -12.956 -18.968 -15.034 388 HA VAL 59 HA VAL 59 -11.582 -17.632 -17.262 389 HB VAL 59 HB VAL 59 -12.000 -16.302 -15.200 390 HG11 VAL 59 1HG1 VAL 59 -11.270 -18.572 -13.861 391 HG12 VAL 59 2HG1 VAL 59 -9.832 -17.562 -13.697 392 HG13 VAL 59 3HG1 VAL 59 -11.398 -16.965 -13.147 393 HG21 VAL 59 1HG2 VAL 59 -9.768 -16.381 -16.792 394 HG22 VAL 59 2HG2 VAL 59 -10.155 -15.110 -15.632 395 HG23 VAL 59 3HG2 VAL 59 -9.085 -16.432 -15.167 396 H ASN 60 H ASN 60 -9.648 -18.317 -17.999 397 HA ASN 60 HA ASN 60 -8.424 -20.625 -16.635 398 HB2 ASN 60 2HB ASN 60 -7.695 -21.436 -18.815 399 HB3 ASN 60 3HB ASN 60 -9.442 -21.211 -18.812 400 HD21 ASN 60 1HD2 ASN 60 -6.395 -19.758 -19.797 401 HD22 ASN 60 2HD2 ASN 60 -7.044 -18.850 -21.116 402 H HIS 61 H HIS 61 -6.199 -20.697 -16.439 403 HA HIS 61 HA HIS 61 -4.815 -18.163 -17.016 404 HB2 HIS 61 2HB HIS 61 -4.826 -18.482 -14.671 405 HB3 HIS 61 3HB HIS 61 -4.446 -20.195 -14.821 406 HD1 HIS 61 HD1 HIS 61 -2.319 -20.150 -13.443 407 HD2 HIS 61 HD2 HIS 61 -2.285 -17.433 -16.587 408 HE1 HIS 61 HE1 HIS 61 0.045 -19.303 -13.574 409 H GLU 62 H GLU 62 -3.544 -18.290 -18.738 410 HA GLU 62 HA GLU 62 -2.134 -19.092 -20.339 411 HB2 GLU 62 2HB GLU 62 -0.817 -19.234 -18.045 412 HB3 GLU 62 3HB GLU 62 -0.905 -20.961 -18.363 413 HG2 GLU 62 2HG GLU 62 -0.034 -20.146 -20.747 414 HG3 GLU 62 3HG GLU 62 0.623 -18.848 -19.751 415 H GLY 63 H GLY 63 -4.655 -20.476 -20.005 416 HA2 GLY 63 2HA GLY 63 -5.555 -22.209 -21.306 417 HA3 GLY 63 3HA GLY 63 -3.949 -22.910 -21.442 418 H LYS 64 H LYS 64 -4.760 -22.038 -18.269 419 HA LYS 64 HA LYS 64 -5.293 -24.858 -17.628 420 HB2 LYS 64 2HB LYS 64 -4.234 -22.656 -15.846 421 HB3 LYS 64 3HB LYS 64 -4.463 -24.335 -15.376 422 HG2 LYS 64 2HG LYS 64 -2.742 -23.774 -17.728 423 HG3 LYS 64 3HG LYS 64 -2.111 -23.400 -16.122 424 HD2 LYS 64 2HD LYS 64 -3.271 -26.074 -16.893 425 HD3 LYS 64 3HD LYS 64 -1.549 -25.692 -16.960 426 HE2 LYS 64 2HE LYS 64 -2.617 -24.935 -14.409 427 HE3 LYS 64 3HE LYS 64 -3.036 -26.612 -14.755 428 HZ1 LYS 64 1HZ LYS 64 -0.807 -26.093 -13.615 429 HZ2 LYS 64 2HZ LYS 64 -0.279 -25.656 -15.161 430 HZ3 LYS 64 3HZ LYS 64 -0.829 -27.229 -14.869 431 H LEU 65 H LEU 65 -7.236 -25.410 -16.898 432 HA LEU 65 HA LEU 65 -9.081 -23.276 -16.084 433 HB2 LEU 65 2HB LEU 65 -9.395 -25.918 -17.390 434 HB3 LEU 65 3HB LEU 65 -10.692 -25.390 -16.319 435 HG LEU 65 HG LEU 65 -10.028 -23.263 -18.114 436 HD11 LEU 65 1HD1 LEU 65 -9.350 -24.466 -19.891 437 HD12 LEU 65 2HD1 LEU 65 -11.076 -24.772 -20.083 438 HD13 LEU 65 3HD1 LEU 65 -10.053 -25.965 -19.282 439 HD21 LEU 65 1HD2 LEU 65 -12.488 -24.046 -18.837 440 HD22 LEU 65 2HD2 LEU 65 -12.160 -23.113 -17.377 441 HD23 LEU 65 3HD2 LEU 65 -12.367 -24.862 -17.278 442 H LEU 66 H LEU 66 -9.306 -22.995 -13.974 443 HA LEU 66 HA LEU 66 -8.830 -25.245 -12.161 444 HB2 LEU 66 2HB LEU 66 -8.467 -22.361 -12.030 445 HB3 LEU 66 3HB LEU 66 -9.273 -23.011 -10.604 446 HG LEU 66 HG LEU 66 -6.875 -22.839 -10.249 447 HD11 LEU 66 1HD1 LEU 66 -6.686 -25.618 -10.240 448 HD12 LEU 66 2HD1 LEU 66 -8.405 -25.272 -10.052 449 HD13 LEU 66 3HD1 LEU 66 -7.238 -24.581 -8.924 450 HD21 LEU 66 1HD2 LEU 66 -6.602 -23.451 -12.875 451 HD22 LEU 66 2HD2 LEU 66 -6.188 -24.993 -12.126 452 HD23 LEU 66 3HD2 LEU 66 -5.297 -23.533 -11.692 453 H LEU 67 H LEU 67 -10.294 -25.727 -10.458 454 HA LEU 67 HA LEU 67 -13.061 -24.877 -11.009 455 HB2 LEU 67 2HB LEU 67 -11.863 -27.494 -10.660 456 HB3 LEU 67 3HB LEU 67 -13.196 -27.227 -9.539 457 HG LEU 67 HG LEU 67 -13.523 -26.744 -12.482 458 HD11 LEU 67 1HD1 LEU 67 -13.897 -28.933 -12.960 459 HD12 LEU 67 2HD1 LEU 67 -14.386 -29.328 -11.313 460 HD13 LEU 67 3HD1 LEU 67 -12.677 -29.137 -11.704 461 HD21 LEU 67 1HD2 LEU 67 -15.778 -27.825 -11.091 462 HD22 LEU 67 2HD2 LEU 67 -15.613 -26.271 -11.908 463 HD23 LEU 67 3HD2 LEU 67 -15.154 -26.430 -10.212 464 H ASP 68 H ASP 68 -10.564 -25.219 -8.651 465 HA ASP 68 HA ASP 68 -12.420 -24.487 -6.493 466 HB2 ASP 68 2HB ASP 68 -9.857 -25.970 -6.598 467 HB3 ASP 68 3HB ASP 68 -10.094 -24.929 -5.197 468 H ASP 69 H ASP 69 -11.922 -22.751 -5.090 469 HA ASP 69 HA ASP 69 -9.992 -20.810 -6.182 470 HB2 ASP 69 2HB ASP 69 -12.509 -19.937 -4.798 471 HB3 ASP 69 3HB ASP 69 -11.488 -19.035 -5.914 472 H SER 70 H SER 70 -9.550 -22.741 -4.097 473 HA SER 70 HA SER 70 -9.580 -21.187 -1.630 474 HB2 SER 70 2HB SER 70 -9.984 -23.836 -2.055 475 HB3 SER 70 3HB SER 70 -8.266 -23.837 -1.657 476 HG SER 70 HG SER 70 -10.385 -22.779 -0.093 477 H VAL 71 H VAL 71 -7.452 -22.047 -4.182 478 HA VAL 71 HA VAL 71 -5.010 -21.665 -2.711 479 HB VAL 71 HB VAL 71 -3.885 -21.829 -4.865 480 HG11 VAL 71 1HG1 VAL 71 -4.222 -24.067 -5.123 481 HG12 VAL 71 2HG1 VAL 71 -5.080 -23.832 -3.599 482 HG13 VAL 71 3HG1 VAL 71 -5.979 -23.918 -5.115 483 HG21 VAL 71 1HG2 VAL 71 -5.370 -20.569 -6.265 484 HG22 VAL 71 2HG2 VAL 71 -5.236 -22.198 -6.926 485 HG23 VAL 71 3HG2 VAL 71 -6.671 -21.733 -6.013 486 H THR 72 H THR 72 -3.552 -19.939 -2.920 487 HA THR 72 HA THR 72 -4.839 -17.373 -3.360 488 HB THR 72 HB THR 72 -3.125 -16.392 -2.149 489 HG1 THR 72 HG1 THR 72 -1.042 -17.127 -2.129 490 HG21 THR 72 1HG2 THR 72 -2.649 -19.029 -0.894 491 HG22 THR 72 2HG2 THR 72 -4.331 -18.514 -1.027 492 HG23 THR 72 3HG2 THR 72 -3.165 -17.506 -0.171 493 H LEU 73 H LEU 73 -3.399 -15.634 -4.408 494 HA LEU 73 HA LEU 73 -2.926 -16.433 -7.108 495 HB2 LEU 73 2HB LEU 73 -2.194 -14.058 -7.389 496 HB3 LEU 73 3HB LEU 73 -3.825 -14.273 -6.755 497 HG LEU 73 HG LEU 73 -1.744 -13.934 -4.708 498 HD11 LEU 73 1HD1 LEU 73 -1.958 -11.367 -5.179 499 HD12 LEU 73 2HD1 LEU 73 -2.204 -11.904 -6.840 500 HD13 LEU 73 3HD1 LEU 73 -0.720 -12.329 -5.986 501 HD21 LEU 73 1HD2 LEU 73 -4.129 -12.197 -4.950 502 HD22 LEU 73 2HD2 LEU 73 -3.442 -12.993 -3.534 503 HD23 LEU 73 3HD2 LEU 73 -4.410 -13.917 -4.683 504 H GLN 74 H GLN 74 -0.891 -15.627 -4.351 505 HA GLN 74 HA GLN 74 1.556 -15.660 -5.832 506 HB2 GLN 74 2HB GLN 74 0.725 -15.194 -3.084 507 HB3 GLN 74 3HB GLN 74 2.206 -16.137 -3.171 508 HG2 GLN 74 2HG GLN 74 3.183 -14.400 -4.628 509 HG3 GLN 74 3HG GLN 74 1.718 -13.442 -4.415 510 HE21 GLN 74 1HE2 GLN 74 3.963 -12.239 -3.740 511 HE22 GLN 74 2HE2 GLN 74 4.157 -12.151 -2.025 512 H THR 75 H THR 75 -0.334 -18.017 -4.076 513 HA THR 75 HA THR 75 1.573 -20.022 -3.723 514 HB THR 75 HB THR 75 -1.392 -20.305 -4.246 515 HG1 THR 75 HG1 THR 75 -0.478 -19.141 -2.295 516 HG21 THR 75 1HG2 THR 75 -1.084 -22.513 -3.074 517 HG22 THR 75 2HG2 THR 75 0.654 -22.300 -3.284 518 HG23 THR 75 3HG2 THR 75 -0.396 -22.425 -4.695 519 H VAL 76 H VAL 76 -0.722 -19.578 -6.415 520 HA VAL 76 HA VAL 76 0.300 -21.737 -7.950 521 HB VAL 76 HB VAL 76 -0.948 -20.648 -9.848 522 HG11 VAL 76 1HG1 VAL 76 -2.809 -20.796 -7.532 523 HG12 VAL 76 2HG1 VAL 76 -2.941 -21.517 -9.137 524 HG13 VAL 76 3HG1 VAL 76 -1.857 -22.224 -7.938 525 HG21 VAL 76 1HG2 VAL 76 -0.667 -18.325 -8.915 526 HG22 VAL 76 2HG2 VAL 76 -2.294 -18.728 -9.465 527 HG23 VAL 76 3HG2 VAL 76 -1.921 -18.729 -7.742 528 H GLY 77 H GLY 77 1.224 -18.415 -7.572 529 HA2 GLY 77 2HA GLY 77 3.421 -17.688 -8.171 530 HA3 GLY 77 3HA GLY 77 3.418 -18.866 -9.475 531 H VAL 78 H VAL 78 0.836 -16.587 -8.712 532 HA VAL 78 HA VAL 78 0.614 -15.725 -11.401 533 HB VAL 78 HB VAL 78 -0.508 -14.498 -8.879 534 HG11 VAL 78 1HG1 VAL 78 -2.185 -13.543 -10.582 535 HG12 VAL 78 2HG1 VAL 78 -0.607 -12.767 -10.437 536 HG13 VAL 78 3HG1 VAL 78 -0.930 -13.866 -11.779 537 HG21 VAL 78 1HG2 VAL 78 -2.008 -16.134 -8.908 538 HG22 VAL 78 2HG2 VAL 78 -2.452 -15.728 -10.566 539 HG23 VAL 78 3HG2 VAL 78 -1.152 -16.879 -10.259 540 H LYS 79 H LYS 79 2.116 -14.545 -12.388 541 HA LYS 79 HA LYS 79 3.226 -12.225 -10.952 542 HB2 LYS 79 2HB LYS 79 4.599 -14.438 -12.239 543 HB3 LYS 79 3HB LYS 79 5.084 -12.892 -12.922 544 HG2 LYS 79 2HG LYS 79 4.992 -12.824 -10.026 545 HG3 LYS 79 3HG LYS 79 6.086 -14.068 -10.636 546 HD2 LYS 79 2HD LYS 79 6.896 -12.145 -12.221 547 HD3 LYS 79 3HD LYS 79 6.192 -11.103 -10.982 548 HE2 LYS 79 2HE LYS 79 8.410 -11.321 -10.311 549 HE3 LYS 79 3HE LYS 79 7.565 -12.512 -9.322 550 HZ1 LYS 79 1HZ LYS 79 9.606 -12.903 -11.281 551 HZ2 LYS 79 2HZ LYS 79 8.255 -13.873 -11.586 552 HZ3 LYS 79 3HZ LYS 79 9.041 -13.964 -10.091 553 H LYS 80 H LYS 80 4.329 -10.710 -12.683 554 HA LYS 80 HA LYS 80 2.333 -9.522 -14.180 555 HB2 LYS 80 2HB LYS 80 4.001 -8.125 -15.107 556 HB3 LYS 80 3HB LYS 80 4.585 -8.552 -13.504 557 HG2 LYS 80 2HG LYS 80 6.494 -8.938 -14.633 558 HG3 LYS 80 3HG LYS 80 5.739 -10.508 -14.918 559 HD2 LYS 80 2HD LYS 80 5.854 -10.136 -17.107 560 HD3 LYS 80 3HD LYS 80 4.778 -8.751 -16.911 561 HE2 LYS 80 2HE LYS 80 6.546 -7.654 -17.807 562 HE3 LYS 80 3HE LYS 80 7.067 -7.622 -16.124 563 HZ1 LYS 80 1HZ LYS 80 8.788 -8.360 -17.748 564 HZ2 LYS 80 2HZ LYS 80 7.862 -9.745 -18.036 565 HZ3 LYS 80 3HZ LYS 80 8.497 -9.458 -16.494 566 H ASP 81 H ASP 81 4.451 -12.154 -15.021 567 HA ASP 81 HA ASP 81 3.912 -12.056 -17.837 568 HB2 ASP 81 2HB ASP 81 5.872 -13.211 -16.382 569 HB3 ASP 81 3HB ASP 81 4.821 -14.602 -16.628 570 H SER 82 H SER 82 2.561 -13.704 -15.057 571 HA SER 82 HA SER 82 1.106 -15.724 -16.236 572 HB2 SER 82 2HB SER 82 0.312 -13.958 -13.909 573 HB3 SER 82 3HB SER 82 -0.482 -15.476 -14.330 574 HG SER 82 HG SER 82 1.157 -16.563 -13.542 575 H VAL 83 H VAL 83 -0.330 -15.711 -17.820 576 HA VAL 83 HA VAL 83 -2.121 -13.383 -18.084 577 HB VAL 83 HB VAL 83 -0.561 -13.314 -19.917 578 HG11 VAL 83 1HG1 VAL 83 -1.180 -15.669 -21.375 579 HG12 VAL 83 2HG1 VAL 83 0.378 -15.155 -20.725 580 HG13 VAL 83 3HG1 VAL 83 -0.706 -16.143 -19.744 581 HG21 VAL 83 1HG2 VAL 83 -2.875 -12.734 -20.421 582 HG22 VAL 83 2HG2 VAL 83 -2.097 -13.478 -21.818 583 HG23 VAL 83 3HG2 VAL 83 -3.218 -14.415 -20.830 584 H PHE 84 H PHE 84 -4.175 -13.891 -17.763 585 HA PHE 84 HA PHE 84 -5.052 -16.645 -18.333 586 HB2 PHE 84 2HB PHE 84 -6.899 -15.254 -16.635 587 HB3 PHE 84 3HB PHE 84 -5.970 -16.710 -16.295 588 HD1 PHE 84 HD1 PHE 84 -5.955 -13.032 -16.096 589 HD2 PHE 84 HD2 PHE 84 -4.042 -16.648 -14.921 590 HE1 PHE 84 HE1 PHE 84 -4.614 -11.785 -14.453 591 HE2 PHE 84 HE2 PHE 84 -2.699 -15.407 -13.276 592 HZ PHE 84 HZ PHE 84 -2.984 -12.972 -13.039 593 H VAL 85 H VAL 85 -6.650 -16.953 -19.759 594 HA VAL 85 HA VAL 85 -7.898 -14.572 -20.938 595 HB VAL 85 HB VAL 85 -7.882 -17.372 -22.063 596 HG11 VAL 85 1HG1 VAL 85 -8.928 -14.758 -22.940 597 HG12 VAL 85 2HG1 VAL 85 -8.110 -15.719 -24.173 598 HG13 VAL 85 3HG1 VAL 85 -9.492 -16.388 -23.305 599 HG21 VAL 85 1HG2 VAL 85 -6.183 -15.911 -23.631 600 HG22 VAL 85 2HG2 VAL 85 -5.793 -15.326 -22.013 601 HG23 VAL 85 3HG2 VAL 85 -5.687 -17.048 -22.378 602 H LEU 86 H LEU 86 -10.117 -14.406 -21.205 603 HA LEU 86 HA LEU 86 -11.688 -16.012 -19.349 604 HB2 LEU 86 2HB LEU 86 -12.415 -13.563 -20.950 605 HB3 LEU 86 3HB LEU 86 -13.455 -14.351 -19.765 606 HG LEU 86 HG LEU 86 -10.787 -13.130 -19.079 607 HD11 LEU 86 1HD1 LEU 86 -11.717 -11.129 -19.305 608 HD12 LEU 86 2HD1 LEU 86 -12.837 -11.565 -18.015 609 HD13 LEU 86 3HD1 LEU 86 -13.283 -11.839 -19.699 610 HD21 LEU 86 1HD2 LEU 86 -11.178 -13.772 -16.973 611 HD22 LEU 86 2HD2 LEU 86 -12.341 -14.896 -17.678 612 HD23 LEU 86 3HD2 LEU 86 -12.885 -13.336 -17.058 613 H VAL 87 H VAL 87 -12.637 -17.793 -20.066 614 HA VAL 87 HA VAL 87 -13.644 -17.834 -22.838 615 HB VAL 87 HB VAL 87 -12.664 -20.169 -21.189 616 HG11 VAL 87 1HG1 VAL 87 -13.790 -20.036 -23.981 617 HG12 VAL 87 2HG1 VAL 87 -12.955 -21.440 -23.312 618 HG13 VAL 87 3HG1 VAL 87 -14.469 -20.887 -22.594 619 HG21 VAL 87 1HG2 VAL 87 -10.774 -20.251 -22.598 620 HG22 VAL 87 2HG2 VAL 87 -11.469 -19.092 -23.730 621 HG23 VAL 87 3HG2 VAL 87 -10.944 -18.558 -22.133 622 H ARG 88 H ARG 88 -15.705 -18.530 -23.208 623 HA ARG 88 HA ARG 88 -17.359 -18.980 -20.819 624 HB2 ARG 88 2HB ARG 88 -18.285 -18.120 -23.563 625 HB3 ARG 88 3HB ARG 88 -19.230 -18.139 -22.080 626 HG2 ARG 88 2HG ARG 88 -18.723 -15.941 -22.110 627 HG3 ARG 88 3HG ARG 88 -17.268 -16.515 -21.294 628 HD2 ARG 88 2HD ARG 88 -15.954 -15.950 -23.014 629 HD3 ARG 88 3HD ARG 88 -17.070 -16.629 -24.198 630 HE ARG 88 HE ARG 88 -16.811 -13.890 -23.474 631 HH11 ARG 88 1HH1 ARG 88 -19.115 -16.299 -24.479 632 HH12 ARG 88 2HH1 ARG 88 -20.195 -15.152 -25.201 633 HH21 ARG 88 1HH2 ARG 88 -18.224 -12.371 -24.421 634 HH22 ARG 88 2HH2 ARG 88 -19.687 -12.919 -25.168 635 H LYS 89 H LYS 89 -18.709 -20.725 -20.674 636 HA LYS 89 HA LYS 89 -18.087 -22.969 -22.381 637 HB2 LYS 89 2HB LYS 89 -18.613 -22.850 -19.771 638 HB3 LYS 89 3HB LYS 89 -20.254 -23.119 -20.343 639 HG2 LYS 89 2HG LYS 89 -19.377 -25.243 -19.846 640 HG3 LYS 89 3HG LYS 89 -19.355 -25.111 -21.606 641 HD2 LYS 89 2HD LYS 89 -17.156 -25.441 -21.645 642 HD3 LYS 89 3HD LYS 89 -16.898 -24.100 -20.526 643 HE2 LYS 89 2HE LYS 89 -17.736 -25.892 -18.767 644 HE3 LYS 89 3HE LYS 89 -17.140 -27.015 -19.988 645 HZ1 LYS 89 1HZ LYS 89 -15.030 -26.521 -19.512 646 HZ2 LYS 89 2HZ LYS 89 -15.630 -25.863 -18.074 647 HZ3 LYS 89 3HZ LYS 89 -15.324 -24.858 -19.401 648 H ALA 90 H ALA 90 -20.797 -20.805 -21.823 649 HA ALA 90 HA ALA 90 -21.993 -21.692 -24.322 650 HB1 ALA 90 1HB ALA 90 -24.036 -22.370 -23.497 651 HB2 ALA 90 2HB ALA 90 -22.930 -23.006 -22.279 652 HB3 ALA 90 3HB ALA 90 -23.822 -21.517 -21.968 Start of MODEL 20 1 H1 MET 10 H MET 10 2.887 -0.844 3.138 2 HA MET 10 HA MET 10 2.774 -1.522 0.644 3 HB2 MET 10 2HB MET 10 5.033 0.485 0.636 4 HB3 MET 10 3HB MET 10 4.461 -0.463 -0.730 5 HG2 MET 10 2HG MET 10 3.379 1.451 -1.208 6 HG3 MET 10 3HG MET 10 2.185 0.771 -0.106 7 HE1 MET 10 1HE MET 10 1.020 2.794 1.279 8 HE2 MET 10 2HE MET 10 1.776 4.367 1.024 9 HE3 MET 10 3HE MET 10 1.450 3.312 -0.351 10 H SER 11 H SER 11 4.297 -3.085 -0.092 11 HA SER 11 HA SER 11 6.680 -3.577 1.470 12 HB2 SER 11 2HB SER 11 4.182 -5.013 1.972 13 HB3 SER 11 3HB SER 11 5.530 -6.088 1.600 14 HG SER 11 HG SER 11 6.469 -5.556 3.421 15 H GLU 12 H GLU 12 4.403 -5.066 -0.830 16 HA GLU 12 HA GLU 12 6.528 -5.356 -2.773 17 HB2 GLU 12 2HB GLU 12 5.560 -7.603 -1.163 18 HB3 GLU 12 3HB GLU 12 5.464 -7.893 -2.894 19 HG2 GLU 12 2HG GLU 12 7.598 -8.464 -2.837 20 HG3 GLU 12 3HG GLU 12 7.980 -6.776 -2.501 21 H THR 13 H THR 13 5.756 -5.047 -4.763 22 HA THR 13 HA THR 13 2.859 -4.906 -5.111 23 HB THR 13 HB THR 13 4.346 -4.169 -7.471 24 HG1 THR 13 HG1 THR 13 5.756 -2.750 -6.668 25 HG21 THR 13 1HG2 THR 13 2.310 -3.042 -5.651 26 HG22 THR 13 2HG2 THR 13 2.344 -3.108 -7.413 27 HG23 THR 13 3HG2 THR 13 3.269 -1.874 -6.558 28 H ILE 14 H ILE 14 1.744 -6.013 -6.712 29 HA ILE 14 HA ILE 14 3.217 -8.015 -8.262 30 HB ILE 14 HB ILE 14 0.830 -8.629 -6.519 31 HG12 ILE 14 2HG1 ILE 14 2.579 -10.440 -5.763 32 HG13 ILE 14 3HG1 ILE 14 3.748 -9.298 -6.417 33 HG21 ILE 14 1HG2 ILE 14 0.388 -9.897 -8.396 34 HG22 ILE 14 2HG2 ILE 14 2.095 -10.126 -8.771 35 HG23 ILE 14 3HG2 ILE 14 1.361 -11.007 -7.432 36 HD11 ILE 14 1HD1 ILE 14 1.951 -7.856 -4.773 37 HD12 ILE 14 2HD1 ILE 14 2.484 -9.285 -3.888 38 HD13 ILE 14 3HD1 ILE 14 3.673 -8.154 -4.534 39 HA PRO 15 HA PRO 15 0.367 -5.978 -11.126 40 HB2 PRO 15 2HB PRO 15 1.730 -6.733 -13.349 41 HB3 PRO 15 3HB PRO 15 2.203 -5.350 -12.355 42 HG2 PRO 15 2HG PRO 15 3.306 -8.133 -12.375 43 HG3 PRO 15 3HG PRO 15 4.171 -6.587 -12.290 44 HD2 PRO 15 2HD PRO 15 3.709 -8.120 -10.106 45 HD3 PRO 15 3HD PRO 15 3.778 -6.347 -10.032 46 H VAL 16 H VAL 16 -1.079 -6.761 -12.739 47 HA VAL 16 HA VAL 16 -1.167 -9.644 -13.189 48 HB VAL 16 HB VAL 16 -3.584 -8.172 -12.139 49 HG11 VAL 16 1HG1 VAL 16 -3.040 -10.948 -13.067 50 HG12 VAL 16 2HG1 VAL 16 -4.209 -10.699 -11.768 51 HG13 VAL 16 3HG1 VAL 16 -4.451 -9.924 -13.334 52 HG21 VAL 16 1HG2 VAL 16 -3.245 -9.535 -10.081 53 HG22 VAL 16 2HG2 VAL 16 -1.664 -10.004 -10.707 54 HG23 VAL 16 3HG2 VAL 16 -2.001 -8.312 -10.341 55 H SER 17 H SER 17 -2.430 -10.268 -14.984 56 HA SER 17 HA SER 17 -3.488 -8.092 -16.646 57 HB2 SER 17 2HB SER 17 -1.044 -9.172 -17.177 58 HB3 SER 17 3HB SER 17 -2.089 -10.223 -18.133 59 HG SER 17 HG SER 17 -2.684 -8.553 -19.359 60 H VAL 18 H VAL 18 -5.293 -8.589 -17.795 61 HA VAL 18 HA VAL 18 -6.171 -11.389 -17.872 62 HB VAL 18 HB VAL 18 -8.039 -9.144 -17.121 63 HG11 VAL 18 1HG1 VAL 18 -8.360 -11.926 -17.833 64 HG12 VAL 18 2HG1 VAL 18 -9.014 -11.591 -16.228 65 HG13 VAL 18 3HG1 VAL 18 -9.580 -10.670 -17.622 66 HG21 VAL 18 1HG2 VAL 18 -6.400 -9.400 -15.346 67 HG22 VAL 18 2HG2 VAL 18 -7.963 -10.032 -14.829 68 HG23 VAL 18 3HG2 VAL 18 -6.679 -11.141 -15.313 69 H GLN 19 H GLN 19 -7.259 -11.976 -19.691 70 HA GLN 19 HA GLN 19 -7.575 -9.893 -21.744 71 HB2 GLN 19 2HB GLN 19 -6.310 -12.423 -21.807 72 HB3 GLN 19 3HB GLN 19 -7.740 -12.544 -22.823 73 HG2 GLN 19 2HG GLN 19 -6.948 -10.410 -23.939 74 HG3 GLN 19 3HG GLN 19 -5.421 -10.662 -23.095 75 HE21 GLN 19 1HE2 GLN 19 -4.051 -12.264 -23.760 76 HE22 GLN 19 2HE2 GLN 19 -4.287 -13.174 -25.210 77 H CYS 20 H CYS 20 -9.501 -9.574 -22.732 78 HA CYS 20 HA CYS 20 -11.696 -11.431 -22.139 79 HB2 CYS 20 2HB CYS 20 -13.192 -9.416 -21.841 80 HB3 CYS 20 3HB CYS 20 -12.033 -9.690 -20.546 81 HG CYS 20 HG CYS 20 -10.400 -7.616 -21.101 82 H CYS 21 H CYS 21 -13.374 -11.473 -23.676 83 HA CYS 21 HA CYS 21 -12.597 -11.213 -26.338 84 HB2 CYS 21 2HB CYS 21 -14.876 -12.141 -24.925 85 HB3 CYS 21 3HB CYS 21 -15.449 -11.028 -26.161 86 HG CYS 21 HG CYS 21 -15.455 -13.852 -26.901 87 H GLU 22 H GLU 22 -13.839 -8.871 -24.152 88 HA GLU 22 HA GLU 22 -14.750 -7.052 -26.206 89 HB2 GLU 22 2HB GLU 22 -14.792 -7.158 -23.265 90 HB3 GLU 22 3HB GLU 22 -14.591 -5.544 -23.935 91 HG2 GLU 22 2HG GLU 22 -16.738 -7.302 -25.013 92 HG3 GLU 22 3HG GLU 22 -16.968 -6.514 -23.453 93 H GLY 23 H GLY 23 -11.825 -7.725 -24.508 94 HA2 GLY 23 2HA GLY 23 -10.117 -6.339 -26.117 95 HA3 GLY 23 3HA GLY 23 -10.623 -5.145 -24.931 96 H ARG 24 H ARG 24 -9.098 -4.886 -23.451 97 HA ARG 24 HA ARG 24 -7.994 -7.257 -22.143 98 HB2 ARG 24 2HB ARG 24 -6.533 -5.705 -23.996 99 HB3 ARG 24 3HB ARG 24 -5.919 -5.285 -22.402 100 HG2 ARG 24 2HG ARG 24 -5.860 -7.883 -22.077 101 HG3 ARG 24 3HG ARG 24 -5.838 -7.888 -23.841 102 HD2 ARG 24 2HD ARG 24 -3.979 -5.964 -23.199 103 HD3 ARG 24 3HD ARG 24 -3.745 -7.176 -21.941 104 HE ARG 24 HE ARG 24 -3.821 -8.635 -24.226 105 HH11 ARG 24 1HH1 ARG 24 -1.973 -5.875 -23.183 106 HH12 ARG 24 2HH1 ARG 24 -0.584 -6.281 -24.136 107 HH21 ARG 24 1HH2 ARG 24 -1.999 -9.180 -25.485 108 HH22 ARG 24 2HH2 ARG 24 -0.600 -8.160 -25.446 109 H PHE 25 H PHE 25 -7.383 -6.946 -20.003 110 HA PHE 25 HA PHE 25 -7.716 -4.272 -18.864 111 HB2 PHE 25 2HB PHE 25 -9.408 -6.653 -18.302 112 HB3 PHE 25 3HB PHE 25 -8.956 -5.645 -16.932 113 HD1 PHE 25 HD1 PHE 25 -9.309 -3.057 -17.323 114 HD2 PHE 25 HD2 PHE 25 -11.331 -6.144 -19.444 115 HE1 PHE 25 HE1 PHE 25 -11.116 -1.484 -17.883 116 HE2 PHE 25 HE2 PHE 25 -13.141 -4.576 -20.008 117 HZ PHE 25 HZ PHE 25 -13.035 -2.242 -19.228 118 H GLU 26 H GLU 26 -6.063 -3.818 -17.578 119 HA GLU 26 HA GLU 26 -4.671 -6.046 -16.241 120 HB2 GLU 26 2HB GLU 26 -2.580 -4.760 -16.473 121 HB3 GLU 26 3HB GLU 26 -3.280 -5.176 -18.031 122 HG2 GLU 26 2HG GLU 26 -4.047 -2.965 -18.380 123 HG3 GLU 26 3HG GLU 26 -3.697 -2.510 -16.714 124 H LEU 27 H LEU 27 -3.961 -5.721 -14.143 125 HA LEU 27 HA LEU 27 -4.474 -3.153 -12.864 126 HB2 LEU 27 2HB LEU 27 -6.239 -5.379 -12.651 127 HB3 LEU 27 3HB LEU 27 -5.457 -5.133 -11.090 128 HG LEU 27 HG LEU 27 -6.218 -2.740 -11.198 129 HD11 LEU 27 1HD1 LEU 27 -7.190 -3.689 -13.782 130 HD12 LEU 27 2HD1 LEU 27 -6.888 -2.048 -13.214 131 HD13 LEU 27 3HD1 LEU 27 -8.412 -2.847 -12.828 132 HD21 LEU 27 1HD2 LEU 27 -7.474 -4.953 -10.262 133 HD22 LEU 27 2HD2 LEU 27 -8.711 -4.288 -11.330 134 HD23 LEU 27 3HD2 LEU 27 -8.050 -3.303 -10.024 135 H SER 28 H SER 28 -3.627 -3.092 -10.622 136 HA SER 28 HA SER 28 -1.486 -5.055 -10.165 137 HB2 SER 28 2HB SER 28 -0.255 -3.252 -11.035 138 HB3 SER 28 3HB SER 28 -1.270 -2.054 -10.232 139 HG SER 28 HG SER 28 0.921 -3.410 -9.297 140 H VAL 29 H VAL 29 -1.625 -5.936 -8.219 141 HA VAL 29 HA VAL 29 -2.446 -4.335 -5.931 142 HB VAL 29 HB VAL 29 -4.144 -5.878 -5.177 143 HG11 VAL 29 1HG1 VAL 29 -5.866 -5.490 -6.888 144 HG12 VAL 29 2HG1 VAL 29 -4.884 -4.053 -6.598 145 HG13 VAL 29 3HG1 VAL 29 -4.608 -5.036 -8.036 146 HG21 VAL 29 1HG2 VAL 29 -3.199 -7.483 -7.494 147 HG22 VAL 29 2HG2 VAL 29 -3.653 -8.000 -5.870 148 HG23 VAL 29 3HG2 VAL 29 -4.902 -7.589 -7.046 149 H ASP 30 H ASP 30 -2.170 -5.548 -3.868 150 HA ASP 30 HA ASP 30 0.308 -7.044 -3.972 151 HB2 ASP 30 2HB ASP 30 -1.355 -6.089 -1.632 152 HB3 ASP 30 3HB ASP 30 0.208 -6.890 -1.490 153 H SER 31 H SER 31 0.602 -9.157 -3.401 154 HA SER 31 HA SER 31 -1.740 -10.847 -3.516 155 HB2 SER 31 2HB SER 31 0.609 -11.240 -4.608 156 HB3 SER 31 3HB SER 31 1.031 -11.888 -3.023 157 HG SER 31 HG SER 31 0.258 -13.546 -4.331 158 H ASN 32 H ASN 32 -2.708 -11.849 -1.863 159 HA ASN 32 HA ASN 32 -1.469 -12.647 0.528 160 HB2 ASN 32 2HB ASN 32 -2.407 -11.045 2.114 161 HB3 ASN 32 3HB ASN 32 -1.364 -10.220 0.960 162 HD21 ASN 32 1HD2 ASN 32 -2.524 -9.319 -0.975 163 HD22 ASN 32 2HD2 ASN 32 -4.044 -8.550 -0.684 164 H HIS 33 H HIS 33 -4.484 -11.499 -0.924 165 HA HIS 33 HA HIS 33 -6.041 -13.388 0.651 166 HB2 HIS 33 2HB HIS 33 -6.579 -10.930 -0.767 167 HB3 HIS 33 3HB HIS 33 -7.702 -12.189 -1.272 168 HD1 HIS 33 HD1 HIS 33 -6.328 -11.139 2.129 169 HD2 HIS 33 HD2 HIS 33 -9.925 -11.988 0.232 170 HE1 HIS 33 HE1 HIS 33 -8.097 -10.877 3.896 171 H THR 34 H THR 34 -7.822 -14.569 -0.658 172 HA THR 34 HA THR 34 -6.484 -16.355 -2.447 173 HB THR 34 HB THR 34 -8.570 -17.575 -2.555 174 HG1 THR 34 HG1 THR 34 -9.761 -15.437 -1.096 175 HG21 THR 34 1HG2 THR 34 -8.972 -17.972 -0.163 176 HG22 THR 34 2HG2 THR 34 -8.087 -16.497 0.225 177 HG23 THR 34 3HG2 THR 34 -7.250 -17.857 -0.523 178 H LEU 35 H LEU 35 -7.527 -16.989 -4.561 179 HA LEU 35 HA LEU 35 -7.388 -14.928 -6.396 180 HB2 LEU 35 2HB LEU 35 -7.546 -17.600 -6.580 181 HB3 LEU 35 3HB LEU 35 -9.186 -17.177 -7.069 182 HG LEU 35 HG LEU 35 -7.659 -15.501 -8.614 183 HD11 LEU 35 1HD1 LEU 35 -6.026 -17.160 -9.662 184 HD12 LEU 35 2HD1 LEU 35 -6.172 -18.067 -8.157 185 HD13 LEU 35 3HD1 LEU 35 -5.560 -16.414 -8.134 186 HD21 LEU 35 1HD2 LEU 35 -8.891 -18.192 -9.104 187 HD22 LEU 35 2HD2 LEU 35 -8.107 -17.288 -10.399 188 HD23 LEU 35 3HD2 LEU 35 -9.493 -16.597 -9.554 189 H ARG 36 H ARG 36 -10.092 -16.006 -4.491 190 HA ARG 36 HA ARG 36 -12.246 -15.009 -5.904 191 HB2 ARG 36 2HB ARG 36 -11.777 -15.980 -3.300 192 HB3 ARG 36 3HB ARG 36 -12.574 -14.425 -3.105 193 HG2 ARG 36 2HG ARG 36 -14.081 -15.576 -5.061 194 HG3 ARG 36 3HG ARG 36 -13.626 -16.969 -4.078 195 HD2 ARG 36 2HD ARG 36 -14.592 -14.508 -2.710 196 HD3 ARG 36 3HD ARG 36 -15.769 -15.536 -3.525 197 HE ARG 36 HE ARG 36 -14.408 -16.088 -1.073 198 HH11 ARG 36 1HH1 ARG 36 -15.863 -17.541 -3.882 199 HH12 ARG 36 2HH1 ARG 36 -16.212 -19.041 -3.088 200 HH21 ARG 36 1HH2 ARG 36 -14.862 -18.058 -0.015 201 HH22 ARG 36 2HH2 ARG 36 -15.642 -19.333 -0.888 202 H ASP 37 H ASP 37 -9.847 -13.298 -4.024 203 HA ASP 37 HA ASP 37 -11.259 -10.810 -3.958 204 HB2 ASP 37 2HB ASP 37 -9.329 -11.667 -2.422 205 HB3 ASP 37 3HB ASP 37 -8.280 -11.020 -3.680 206 H VAL 38 H VAL 38 -8.563 -12.087 -5.889 207 HA VAL 38 HA VAL 38 -8.171 -9.782 -7.459 208 HB VAL 38 HB VAL 38 -7.621 -12.643 -8.258 209 HG11 VAL 38 1HG1 VAL 38 -5.696 -11.322 -9.463 210 HG12 VAL 38 2HG1 VAL 38 -7.293 -11.463 -10.199 211 HG13 VAL 38 3HG1 VAL 38 -6.839 -9.984 -9.352 212 HG21 VAL 38 1HG2 VAL 38 -6.024 -10.691 -6.620 213 HG22 VAL 38 2HG2 VAL 38 -6.524 -12.327 -6.191 214 HG23 VAL 38 3HG2 VAL 38 -5.292 -12.077 -7.428 215 H LEU 39 H LEU 39 -10.236 -12.614 -7.884 216 HA LEU 39 HA LEU 39 -11.099 -11.954 -10.510 217 HB2 LEU 39 2HB LEU 39 -11.326 -14.201 -9.864 218 HB3 LEU 39 3HB LEU 39 -12.154 -13.772 -8.368 219 HG LEU 39 HG LEU 39 -13.645 -12.911 -10.698 220 HD11 LEU 39 1HD1 LEU 39 -14.222 -15.567 -10.914 221 HD12 LEU 39 2HD1 LEU 39 -12.466 -15.587 -10.747 222 HD13 LEU 39 3HD1 LEU 39 -13.218 -14.651 -12.038 223 HD21 LEU 39 1HD2 LEU 39 -14.061 -14.359 -8.149 224 HD22 LEU 39 2HD2 LEU 39 -15.234 -14.643 -9.435 225 HD23 LEU 39 3HD2 LEU 39 -14.950 -13.004 -8.846 226 H ARG 40 H ARG 40 -12.289 -11.217 -7.285 227 HA ARG 40 HA ARG 40 -14.803 -10.194 -7.989 228 HB2 ARG 40 2HB ARG 40 -13.016 -10.055 -5.651 229 HB3 ARG 40 3HB ARG 40 -14.128 -8.702 -5.810 230 HG2 ARG 40 2HG ARG 40 -15.994 -10.028 -5.539 231 HG3 ARG 40 3HG ARG 40 -15.151 -11.496 -6.040 232 HD2 ARG 40 2HD ARG 40 -14.385 -11.911 -3.965 233 HD3 ARG 40 3HD ARG 40 -14.061 -10.209 -3.638 234 HE ARG 40 HE ARG 40 -16.780 -10.399 -3.590 235 HH11 ARG 40 1HH1 ARG 40 -14.178 -12.015 -1.935 236 HH12 ARG 40 2HH1 ARG 40 -15.100 -12.308 -0.497 237 HH21 ARG 40 1HH2 ARG 40 -18.004 -10.779 -1.703 238 HH22 ARG 40 2HH2 ARG 40 -17.276 -11.605 -0.367 239 H GLN 41 H GLN 41 -11.664 -8.575 -7.632 240 HA GLN 41 HA GLN 41 -12.616 -5.978 -8.227 241 HB2 GLN 41 2HB GLN 41 -10.271 -6.975 -7.285 242 HB3 GLN 41 3HB GLN 41 -9.821 -6.593 -8.942 243 HG2 GLN 41 2HG GLN 41 -9.946 -4.370 -8.610 244 HG3 GLN 41 3HG GLN 41 -11.309 -4.502 -7.499 245 HE21 GLN 41 1HE2 GLN 41 -8.132 -6.039 -7.361 246 HE22 GLN 41 2HE2 GLN 41 -7.659 -5.334 -5.856 247 H PHE 42 H PHE 42 -10.861 -8.350 -10.225 248 HA PHE 42 HA PHE 42 -10.868 -6.883 -12.599 249 HB2 PHE 42 2HB PHE 42 -10.601 -9.775 -11.916 250 HB3 PHE 42 3HB PHE 42 -10.864 -9.342 -13.603 251 HD1 PHE 42 HD1 PHE 42 -8.421 -10.124 -11.339 252 HD2 PHE 42 HD2 PHE 42 -9.320 -7.194 -14.293 253 HE1 PHE 42 HE1 PHE 42 -6.021 -9.637 -11.581 254 HE2 PHE 42 HE2 PHE 42 -6.921 -6.703 -14.541 255 HZ PHE 42 HZ PHE 42 -5.269 -7.925 -13.184 256 H LYS 43 H LYS 43 -13.305 -8.977 -11.185 257 HA LYS 43 HA LYS 43 -14.989 -9.122 -13.463 258 HB2 LYS 43 2HB LYS 43 -15.222 -10.761 -11.718 259 HB3 LYS 43 3HB LYS 43 -15.544 -9.513 -10.521 260 HG2 LYS 43 2HG LYS 43 -17.379 -9.620 -12.831 261 HG3 LYS 43 3HG LYS 43 -17.461 -10.963 -11.688 262 HD2 LYS 43 2HD LYS 43 -17.324 -8.637 -10.129 263 HD3 LYS 43 3HD LYS 43 -18.463 -8.278 -11.428 264 HE2 LYS 43 2HE LYS 43 -19.472 -10.591 -10.847 265 HE3 LYS 43 3HE LYS 43 -18.594 -10.410 -9.329 266 HZ1 LYS 43 1HZ LYS 43 -20.778 -9.576 -9.013 267 HZ2 LYS 43 2HZ LYS 43 -20.701 -8.623 -10.408 268 HZ3 LYS 43 3HZ LYS 43 -19.747 -8.236 -9.065 269 H ARG 44 H ARG 44 -14.732 -6.882 -10.767 270 HA ARG 44 HA ARG 44 -17.134 -5.456 -11.438 271 HB2 ARG 44 2HB ARG 44 -15.028 -5.279 -9.382 272 HB3 ARG 44 3HB ARG 44 -15.750 -3.743 -9.841 273 HG2 ARG 44 2HG ARG 44 -17.899 -5.489 -9.507 274 HG3 ARG 44 3HG ARG 44 -16.798 -5.835 -8.172 275 HD2 ARG 44 2HD ARG 44 -18.409 -4.099 -7.571 276 HD3 ARG 44 3HD ARG 44 -16.761 -3.471 -7.578 277 HE ARG 44 HE ARG 44 -17.755 -2.935 -10.080 278 HH11 ARG 44 1HH1 ARG 44 -18.651 -2.160 -6.807 279 HH12 ARG 44 2HH1 ARG 44 -19.377 -0.644 -7.227 280 HH21 ARG 44 1HH2 ARG 44 -18.708 -0.942 -10.646 281 HH22 ARG 44 2HH2 ARG 44 -19.410 0.048 -9.411 282 H GLU 45 H GLU 45 -13.807 -5.325 -12.361 283 HA GLU 45 HA GLU 45 -14.088 -2.658 -13.514 284 HB2 GLU 45 2HB GLU 45 -11.718 -4.525 -13.343 285 HB3 GLU 45 3HB GLU 45 -11.676 -2.934 -14.089 286 HG2 GLU 45 2HG GLU 45 -12.700 -3.019 -11.333 287 HG3 GLU 45 3HG GLU 45 -10.996 -3.425 -11.534 288 H VAL 46 H VAL 46 -14.477 -5.895 -14.404 289 HA VAL 46 HA VAL 46 -14.041 -5.319 -17.251 290 HB VAL 46 HB VAL 46 -13.025 -7.386 -16.122 291 HG11 VAL 46 1HG1 VAL 46 -14.329 -9.183 -15.547 292 HG12 VAL 46 2HG1 VAL 46 -15.395 -7.854 -15.083 293 HG13 VAL 46 3HG1 VAL 46 -15.652 -8.703 -16.608 294 HG21 VAL 46 1HG2 VAL 46 -13.816 -8.833 -18.160 295 HG22 VAL 46 2HG2 VAL 46 -14.566 -7.322 -18.675 296 HG23 VAL 46 3HG2 VAL 46 -12.824 -7.396 -18.412 297 H ALA 47 H ALA 47 -16.485 -6.036 -14.894 298 HA ALA 47 HA ALA 47 -18.550 -6.870 -16.622 299 HB1 ALA 47 1HB ALA 47 -18.512 -5.678 -13.873 300 HB2 ALA 47 2HB ALA 47 -20.033 -5.999 -14.707 301 HB3 ALA 47 3HB ALA 47 -18.917 -7.322 -14.368 302 H ALA 48 H ALA 48 -17.126 -3.805 -16.089 303 HA ALA 48 HA ALA 48 -19.272 -2.085 -16.631 304 HB1 ALA 48 1HB ALA 48 -16.306 -1.806 -17.012 305 HB2 ALA 48 2HB ALA 48 -17.431 -0.508 -17.415 306 HB3 ALA 48 3HB ALA 48 -17.327 -1.102 -15.758 307 H LEU 49 H LEU 49 -17.150 -3.904 -18.756 308 HA LEU 49 HA LEU 49 -18.630 -2.850 -21.074 309 HB2 LEU 49 2HB LEU 49 -16.022 -4.291 -21.307 310 HB3 LEU 49 3HB LEU 49 -16.756 -3.129 -22.411 311 HG LEU 49 HG LEU 49 -15.390 -2.541 -19.788 312 HD11 LEU 49 1HD1 LEU 49 -14.727 -1.729 -22.615 313 HD12 LEU 49 2HD1 LEU 49 -13.914 -2.998 -21.700 314 HD13 LEU 49 3HD1 LEU 49 -13.813 -1.322 -21.162 315 HD21 LEU 49 1HD2 LEU 49 -15.811 -0.121 -20.809 316 HD22 LEU 49 2HD2 LEU 49 -16.955 -0.896 -19.713 317 HD23 LEU 49 3HD2 LEU 49 -17.239 -0.930 -21.454 318 H ASP 50 H ASP 50 -17.798 -5.657 -19.255 319 HA ASP 50 HA ASP 50 -18.881 -7.435 -21.319 320 HB2 ASP 50 2HB ASP 50 -16.677 -7.904 -20.077 321 HB3 ASP 50 3HB ASP 50 -17.691 -8.313 -18.696 322 HA PRO 51 HA PRO 51 -22.683 -7.067 -18.909 323 HB2 PRO 51 2HB PRO 51 -24.260 -8.151 -20.834 324 HB3 PRO 51 3HB PRO 51 -23.737 -6.463 -20.859 325 HG2 PRO 51 2HG PRO 51 -22.625 -8.812 -22.343 326 HG3 PRO 51 3HG PRO 51 -22.934 -7.166 -22.925 327 HD2 PRO 51 2HD PRO 51 -20.464 -8.021 -22.220 328 HD3 PRO 51 3HD PRO 51 -20.990 -6.340 -22.004 329 H ILE 52 H ILE 52 -21.172 -9.835 -20.369 330 HA ILE 52 HA ILE 52 -22.938 -11.834 -19.432 331 HB ILE 52 HB ILE 52 -19.981 -12.119 -19.972 332 HG12 ILE 52 2HG1 ILE 52 -22.306 -12.511 -21.868 333 HG13 ILE 52 3HG1 ILE 52 -21.235 -11.114 -21.874 334 HG21 ILE 52 1HG2 ILE 52 -20.845 -14.017 -18.789 335 HG22 ILE 52 2HG2 ILE 52 -22.231 -14.120 -19.874 336 HG23 ILE 52 3HG2 ILE 52 -20.612 -14.472 -20.477 337 HD11 ILE 52 1HD1 ILE 52 -20.462 -12.516 -23.581 338 HD12 ILE 52 2HD1 ILE 52 -19.343 -12.759 -22.240 339 HD13 ILE 52 3HD1 ILE 52 -20.594 -13.957 -22.573 340 H ASN 53 H ASN 53 -22.831 -13.177 -17.635 341 HA ASN 53 HA ASN 53 -21.811 -11.952 -15.255 342 HB2 ASN 53 2HB ASN 53 -23.838 -13.066 -14.917 343 HB3 ASN 53 3HB ASN 53 -23.332 -14.473 -15.848 344 HD21 ASN 53 1HD2 ASN 53 -23.563 -16.061 -14.402 345 HD22 ASN 53 2HD2 ASN 53 -22.750 -16.135 -12.879 346 H LEU 54 H LEU 54 -19.833 -12.168 -14.462 347 HA LEU 54 HA LEU 54 -17.835 -13.751 -15.590 348 HB2 LEU 54 2HB LEU 54 -17.197 -11.861 -14.326 349 HB3 LEU 54 3HB LEU 54 -18.080 -12.421 -12.907 350 HG LEU 54 HG LEU 54 -16.068 -14.341 -13.592 351 HD11 LEU 54 1HD1 LEU 54 -14.613 -12.880 -14.562 352 HD12 LEU 54 2HD1 LEU 54 -14.198 -12.624 -12.867 353 HD13 LEU 54 3HD1 LEU 54 -15.258 -11.485 -13.696 354 HD21 LEU 54 1HD2 LEU 54 -15.708 -12.637 -11.228 355 HD22 LEU 54 2HD2 LEU 54 -15.827 -14.392 -11.359 356 HD23 LEU 54 3HD2 LEU 54 -17.290 -13.406 -11.358 357 H GLU 55 H GLU 55 -20.131 -14.440 -13.052 358 HA GLU 55 HA GLU 55 -18.813 -16.810 -12.126 359 HB2 GLU 55 2HB GLU 55 -21.070 -15.230 -11.352 360 HB3 GLU 55 3HB GLU 55 -21.578 -16.907 -11.493 361 HG2 GLU 55 2HG GLU 55 -20.620 -17.414 -9.568 362 HG3 GLU 55 3HG GLU 55 -19.072 -16.777 -10.120 363 H GLU 56 H GLU 56 -20.565 -16.082 -14.885 364 HA GLU 56 HA GLU 56 -21.805 -18.679 -15.204 365 HB2 GLU 56 2HB GLU 56 -22.415 -16.218 -16.183 366 HB3 GLU 56 3HB GLU 56 -21.564 -16.912 -17.555 367 HG2 GLU 56 2HG GLU 56 -23.102 -18.889 -17.377 368 HG3 GLU 56 3HG GLU 56 -24.032 -17.961 -16.202 369 H TYR 57 H TYR 57 -18.906 -17.025 -16.218 370 HA TYR 57 HA TYR 57 -18.066 -19.467 -17.636 371 HB2 TYR 57 2HB TYR 57 -16.755 -18.077 -19.159 372 HB3 TYR 57 3HB TYR 57 -18.454 -17.622 -19.217 373 HD1 TYR 57 HD1 TYR 57 -19.132 -15.416 -18.745 374 HD2 TYR 57 HD2 TYR 57 -15.160 -16.636 -17.828 375 HE1 TYR 57 HE1 TYR 57 -18.527 -13.077 -18.280 376 HE2 TYR 57 HE2 TYR 57 -14.545 -14.301 -17.359 377 HH TYR 57 HH TYR 57 -15.918 -11.803 -18.352 378 H VAL 58 H VAL 58 -15.609 -19.575 -17.821 379 HA VAL 58 HA VAL 58 -14.407 -18.703 -15.273 380 HB VAL 58 HB VAL 58 -13.005 -20.709 -15.328 381 HG11 VAL 58 1HG1 VAL 58 -15.680 -21.903 -15.665 382 HG12 VAL 58 2HG1 VAL 58 -14.558 -21.992 -14.306 383 HG13 VAL 58 3HG1 VAL 58 -15.570 -20.564 -14.524 384 HG21 VAL 58 1HG2 VAL 58 -12.730 -21.281 -17.560 385 HG22 VAL 58 2HG2 VAL 58 -13.812 -22.541 -16.967 386 HG23 VAL 58 3HG2 VAL 58 -14.458 -21.192 -17.901 387 H VAL 59 H VAL 59 -11.935 -18.749 -15.395 388 HA VAL 59 HA VAL 59 -11.013 -17.779 -18.017 389 HB VAL 59 HB VAL 59 -11.423 -15.861 -16.510 390 HG11 VAL 59 1HG1 VAL 59 -10.095 -15.524 -14.529 391 HG12 VAL 59 2HG1 VAL 59 -10.942 -17.067 -14.397 392 HG13 VAL 59 3HG1 VAL 59 -9.227 -17.033 -14.809 393 HG21 VAL 59 1HG2 VAL 59 -9.824 -15.365 -18.104 394 HG22 VAL 59 2HG2 VAL 59 -8.967 -15.006 -16.605 395 HG23 VAL 59 3HG2 VAL 59 -8.663 -16.523 -17.452 396 H ASN 60 H ASN 60 -9.086 -18.541 -18.680 397 HA ASN 60 HA ASN 60 -7.694 -20.395 -16.890 398 HB2 ASN 60 2HB ASN 60 -6.819 -21.453 -18.814 399 HB3 ASN 60 3HB ASN 60 -8.490 -21.075 -19.223 400 HD21 ASN 60 1HD2 ASN 60 -6.096 -21.499 -20.901 401 HD22 ASN 60 2HD2 ASN 60 -5.978 -20.088 -21.892 402 H HIS 61 H HIS 61 -5.494 -20.262 -16.485 403 HA HIS 61 HA HIS 61 -4.276 -17.657 -17.114 404 HB2 HIS 61 2HB HIS 61 -4.407 -17.764 -14.785 405 HB3 HIS 61 3HB HIS 61 -4.046 -19.487 -14.746 406 HD1 HIS 61 HD1 HIS 61 -1.963 -16.849 -16.481 407 HD2 HIS 61 HD2 HIS 61 -1.773 -19.419 -13.223 408 HE1 HIS 61 HE1 HIS 61 0.395 -16.674 -15.623 409 H GLU 62 H GLU 62 -2.851 -17.775 -18.713 410 HA GLU 62 HA GLU 62 -1.244 -18.545 -20.133 411 HB2 GLU 62 2HB GLU 62 -0.310 -19.569 -17.464 412 HB3 GLU 62 3HB GLU 62 0.618 -19.866 -18.928 413 HG2 GLU 62 2HG GLU 62 0.795 -17.462 -19.308 414 HG3 GLU 62 3HG GLU 62 -0.137 -17.162 -17.843 415 H GLY 63 H GLY 63 -3.643 -20.146 -19.902 416 HA2 GLY 63 2HA GLY 63 -4.251 -22.047 -21.138 417 HA3 GLY 63 3HA GLY 63 -2.584 -22.598 -21.071 418 H LYS 64 H LYS 64 -3.777 -21.577 -18.067 419 HA LYS 64 HA LYS 64 -4.086 -24.380 -17.237 420 HB2 LYS 64 2HB LYS 64 -2.347 -22.728 -16.199 421 HB3 LYS 64 3HB LYS 64 -3.736 -22.100 -15.321 422 HG2 LYS 64 2HG LYS 64 -4.114 -24.192 -14.258 423 HG3 LYS 64 3HG LYS 64 -2.938 -25.000 -15.298 424 HD2 LYS 64 2HD LYS 64 -1.645 -22.809 -14.030 425 HD3 LYS 64 3HD LYS 64 -2.512 -23.724 -12.795 426 HE2 LYS 64 2HE LYS 64 -0.712 -25.014 -14.832 427 HE3 LYS 64 3HE LYS 64 -0.134 -24.450 -13.266 428 HZ1 LYS 64 1HZ LYS 64 -0.623 -26.717 -13.004 429 HZ2 LYS 64 2HZ LYS 64 -2.102 -26.592 -13.814 430 HZ3 LYS 64 3HZ LYS 64 -1.919 -25.904 -12.280 431 H LEU 65 H LEU 65 -6.026 -25.106 -16.668 432 HA LEU 65 HA LEU 65 -8.226 -23.206 -16.418 433 HB2 LEU 65 2HB LEU 65 -7.984 -26.113 -16.987 434 HB3 LEU 65 3HB LEU 65 -9.475 -25.536 -16.245 435 HG LEU 65 HG LEU 65 -8.472 -24.206 -18.722 436 HD11 LEU 65 1HD1 LEU 65 -10.283 -26.554 -18.970 437 HD12 LEU 65 2HD1 LEU 65 -8.545 -26.827 -18.862 438 HD13 LEU 65 3HD1 LEU 65 -9.201 -25.829 -20.160 439 HD21 LEU 65 1HD2 LEU 65 -10.335 -23.095 -18.042 440 HD22 LEU 65 2HD2 LEU 65 -11.017 -24.504 -17.229 441 HD23 LEU 65 3HD2 LEU 65 -11.111 -24.366 -18.986 442 H LEU 66 H LEU 66 -9.007 -22.601 -14.516 443 HA LEU 66 HA LEU 66 -8.195 -24.074 -12.120 444 HB2 LEU 66 2HB LEU 66 -9.113 -21.286 -12.659 445 HB3 LEU 66 3HB LEU 66 -9.305 -21.961 -11.043 446 HG LEU 66 HG LEU 66 -6.619 -22.389 -11.957 447 HD11 LEU 66 1HD1 LEU 66 -6.756 -20.529 -13.387 448 HD12 LEU 66 2HD1 LEU 66 -5.999 -19.929 -11.913 449 HD13 LEU 66 3HD1 LEU 66 -7.703 -19.600 -12.224 450 HD21 LEU 66 1HD2 LEU 66 -6.316 -20.754 -9.918 451 HD22 LEU 66 2HD2 LEU 66 -6.869 -22.412 -9.682 452 HD23 LEU 66 3HD2 LEU 66 -8.032 -21.086 -9.684 453 H LEU 67 H LEU 67 -9.706 -24.624 -10.487 454 HA LEU 67 HA LEU 67 -12.373 -25.192 -11.556 455 HB2 LEU 67 2HB LEU 67 -10.644 -26.401 -9.463 456 HB3 LEU 67 3HB LEU 67 -12.391 -26.543 -9.278 457 HG LEU 67 HG LEU 67 -11.684 -27.308 -11.935 458 HD11 LEU 67 1HD1 LEU 67 -10.056 -28.897 -11.723 459 HD12 LEU 67 2HD1 LEU 67 -10.348 -29.128 -9.999 460 HD13 LEU 67 3HD1 LEU 67 -9.474 -27.703 -10.562 461 HD21 LEU 67 1HD2 LEU 67 -13.595 -27.956 -10.258 462 HD22 LEU 67 2HD2 LEU 67 -12.476 -29.244 -9.812 463 HD23 LEU 67 3HD2 LEU 67 -13.038 -29.102 -11.478 464 H ASP 68 H ASP 68 -10.889 -24.063 -8.517 465 HA ASP 68 HA ASP 68 -13.304 -22.439 -8.060 466 HB2 ASP 68 2HB ASP 68 -12.120 -24.479 -6.372 467 HB3 ASP 68 3HB ASP 68 -12.190 -22.926 -5.544 468 H ASP 69 H ASP 69 -12.841 -20.674 -6.378 469 HA ASP 69 HA ASP 69 -10.268 -19.428 -7.073 470 HB2 ASP 69 2HB ASP 69 -12.824 -18.105 -6.138 471 HB3 ASP 69 3HB ASP 69 -11.345 -17.278 -6.620 472 H SER 70 H SER 70 -10.762 -21.366 -4.895 473 HA SER 70 HA SER 70 -10.606 -19.814 -2.458 474 HB2 SER 70 2HB SER 70 -11.724 -22.111 -2.705 475 HB3 SER 70 3HB SER 70 -10.090 -22.775 -2.706 476 HG SER 70 HG SER 70 -11.584 -21.853 -0.630 477 H VAL 71 H VAL 71 -8.444 -21.295 -4.717 478 HA VAL 71 HA VAL 71 -6.168 -21.355 -2.965 479 HB VAL 71 HB VAL 71 -4.866 -21.869 -4.978 480 HG11 VAL 71 1HG1 VAL 71 -6.172 -23.622 -3.765 481 HG12 VAL 71 2HG1 VAL 71 -7.440 -23.436 -4.978 482 HG13 VAL 71 3HG1 VAL 71 -5.837 -23.999 -5.455 483 HG21 VAL 71 1HG2 VAL 71 -6.562 -22.276 -7.036 484 HG22 VAL 71 2HG2 VAL 71 -7.294 -20.850 -6.302 485 HG23 VAL 71 3HG2 VAL 71 -5.611 -20.806 -6.825 486 H THR 72 H THR 72 -4.465 -19.937 -2.855 487 HA THR 72 HA THR 72 -5.031 -17.209 -3.533 488 HB THR 72 HB THR 72 -3.134 -16.614 -2.296 489 HG1 THR 72 HG1 THR 72 -1.372 -17.942 -2.021 490 HG21 THR 72 1HG2 THR 72 -3.617 -17.509 -0.264 491 HG22 THR 72 2HG2 THR 72 -3.535 -19.169 -0.855 492 HG23 THR 72 3HG2 THR 72 -4.975 -18.196 -1.153 493 H LEU 73 H LEU 73 -2.725 -16.056 -4.266 494 HA LEU 73 HA LEU 73 -2.588 -16.603 -7.047 495 HB2 LEU 73 2HB LEU 73 -1.230 -14.746 -5.164 496 HB3 LEU 73 3HB LEU 73 -0.492 -15.013 -6.742 497 HG LEU 73 HG LEU 73 -3.292 -13.988 -6.274 498 HD11 LEU 73 1HD1 LEU 73 -2.145 -12.116 -5.760 499 HD12 LEU 73 2HD1 LEU 73 -1.998 -11.988 -7.512 500 HD13 LEU 73 3HD1 LEU 73 -0.673 -12.662 -6.564 501 HD21 LEU 73 1HD2 LEU 73 -1.676 -14.413 -8.782 502 HD22 LEU 73 2HD2 LEU 73 -3.162 -13.467 -8.711 503 HD23 LEU 73 3HD2 LEU 73 -3.195 -15.191 -8.339 504 H GLN 74 H GLN 74 -0.220 -17.012 -4.418 505 HA GLN 74 HA GLN 74 1.681 -18.329 -6.095 506 HB2 GLN 74 2HB GLN 74 2.205 -17.031 -3.988 507 HB3 GLN 74 3HB GLN 74 1.570 -18.397 -3.081 508 HG2 GLN 74 2HG GLN 74 3.313 -19.789 -3.704 509 HG3 GLN 74 3HG GLN 74 3.740 -18.794 -5.095 510 HE21 GLN 74 1HE2 GLN 74 4.645 -19.658 -2.061 511 HE22 GLN 74 2HE2 GLN 74 5.648 -18.310 -1.660 512 H THR 75 H THR 75 -0.966 -19.345 -4.076 513 HA THR 75 HA THR 75 -0.309 -22.025 -3.669 514 HB THR 75 HB THR 75 -3.042 -20.786 -4.042 515 HG1 THR 75 HG1 THR 75 -1.517 -21.415 -1.715 516 HG21 THR 75 1HG2 THR 75 -3.839 -22.785 -2.781 517 HG22 THR 75 2HG2 THR 75 -2.233 -23.489 -2.968 518 HG23 THR 75 3HG2 THR 75 -3.224 -23.161 -4.390 519 H VAL 76 H VAL 76 -1.936 -20.457 -6.394 520 HA VAL 76 HA VAL 76 -2.361 -22.935 -7.794 521 HB VAL 76 HB VAL 76 -3.911 -21.077 -8.118 522 HG11 VAL 76 1HG1 VAL 76 -3.126 -19.130 -9.527 523 HG12 VAL 76 2HG1 VAL 76 -2.544 -19.163 -7.862 524 HG13 VAL 76 3HG1 VAL 76 -1.480 -19.658 -9.179 525 HG21 VAL 76 1HG2 VAL 76 -2.434 -21.510 -10.702 526 HG22 VAL 76 2HG2 VAL 76 -3.403 -22.770 -9.937 527 HG23 VAL 76 3HG2 VAL 76 -4.164 -21.268 -10.458 528 H GLY 77 H GLY 77 0.127 -20.526 -7.629 529 HA2 GLY 77 2HA GLY 77 2.346 -20.945 -8.353 530 HA3 GLY 77 3HA GLY 77 1.719 -22.103 -9.517 531 H VAL 78 H VAL 78 0.484 -18.844 -9.047 532 HA VAL 78 HA VAL 78 0.621 -18.252 -11.816 533 HB VAL 78 HB VAL 78 -1.028 -17.235 -10.252 534 HG11 VAL 78 1HG1 VAL 78 1.161 -16.654 -8.706 535 HG12 VAL 78 2HG1 VAL 78 0.757 -15.087 -9.410 536 HG13 VAL 78 3HG1 VAL 78 -0.455 -15.981 -8.492 537 HG21 VAL 78 1HG2 VAL 78 0.643 -15.187 -11.701 538 HG22 VAL 78 2HG2 VAL 78 -0.500 -16.276 -12.487 539 HG23 VAL 78 3HG2 VAL 78 -1.076 -15.085 -11.322 540 H LYS 79 H LYS 79 2.085 -17.142 -13.001 541 HA LYS 79 HA LYS 79 4.726 -16.828 -11.934 542 HB2 LYS 79 2HB LYS 79 3.531 -17.022 -14.513 543 HB3 LYS 79 3HB LYS 79 4.479 -15.541 -14.467 544 HG2 LYS 79 2HG LYS 79 6.432 -16.641 -14.427 545 HG3 LYS 79 3HG LYS 79 5.822 -17.898 -13.348 546 HD2 LYS 79 2HD LYS 79 6.099 -19.131 -15.251 547 HD3 LYS 79 3HD LYS 79 4.444 -18.572 -15.505 548 HE2 LYS 79 2HE LYS 79 5.312 -16.708 -16.863 549 HE3 LYS 79 3HE LYS 79 6.947 -17.329 -16.643 550 HZ1 LYS 79 1HZ LYS 79 6.289 -18.162 -18.692 551 HZ2 LYS 79 2HZ LYS 79 4.719 -18.516 -18.174 552 HZ3 LYS 79 3HZ LYS 79 6.017 -19.466 -17.649 553 H LYS 80 H LYS 80 5.921 -14.700 -12.642 554 HA LYS 80 HA LYS 80 4.994 -12.637 -10.995 555 HB2 LYS 80 2HB LYS 80 7.372 -13.121 -11.942 556 HB3 LYS 80 3HB LYS 80 6.856 -12.117 -13.292 557 HG2 LYS 80 2HG LYS 80 7.122 -10.237 -12.131 558 HG3 LYS 80 3HG LYS 80 6.306 -10.897 -10.711 559 HD2 LYS 80 2HD LYS 80 8.298 -11.903 -9.920 560 HD3 LYS 80 3HD LYS 80 9.127 -11.638 -11.456 561 HE2 LYS 80 2HE LYS 80 8.719 -9.135 -10.983 562 HE3 LYS 80 3HE LYS 80 8.415 -9.653 -9.325 563 HZ1 LYS 80 1HZ LYS 80 10.736 -8.978 -9.739 564 HZ2 LYS 80 2HZ LYS 80 10.899 -10.255 -10.836 565 HZ3 LYS 80 3HZ LYS 80 10.604 -10.576 -9.201 566 H ASP 81 H ASP 81 4.705 -13.127 -14.477 567 HA ASP 81 HA ASP 81 3.567 -10.592 -15.048 568 HB2 ASP 81 2HB ASP 81 4.066 -13.099 -16.493 569 HB3 ASP 81 3HB ASP 81 2.633 -12.234 -17.040 570 H SER 82 H SER 82 2.155 -13.801 -14.488 571 HA SER 82 HA SER 82 0.039 -14.474 -13.988 572 HB2 SER 82 2HB SER 82 -0.567 -11.735 -12.922 573 HB3 SER 82 3HB SER 82 -1.050 -13.308 -12.288 574 HG SER 82 HG SER 82 0.961 -11.862 -11.491 575 H VAL 83 H VAL 83 -0.256 -14.414 -16.378 576 HA VAL 83 HA VAL 83 -2.299 -12.427 -17.135 577 HB VAL 83 HB VAL 83 -0.335 -12.119 -18.501 578 HG11 VAL 83 1HG1 VAL 83 0.677 -13.845 -19.804 579 HG12 VAL 83 2HG1 VAL 83 0.560 -14.429 -18.143 580 HG13 VAL 83 3HG1 VAL 83 -0.583 -14.996 -19.361 581 HG21 VAL 83 1HG2 VAL 83 -2.498 -11.858 -19.595 582 HG22 VAL 83 2HG2 VAL 83 -1.295 -12.474 -20.727 583 HG23 VAL 83 3HG2 VAL 83 -2.494 -13.566 -20.035 584 H PHE 84 H PHE 84 -4.269 -13.214 -17.434 585 HA PHE 84 HA PHE 84 -4.558 -16.028 -18.254 586 HB2 PHE 84 2HB PHE 84 -6.848 -15.169 -16.759 587 HB3 PHE 84 3HB PHE 84 -5.743 -16.496 -16.418 588 HD1 PHE 84 HD1 PHE 84 -6.877 -13.264 -15.420 589 HD2 PHE 84 HD2 PHE 84 -3.602 -15.971 -15.158 590 HE1 PHE 84 HE1 PHE 84 -6.035 -12.050 -13.452 591 HE2 PHE 84 HE2 PHE 84 -2.756 -14.762 -13.190 592 HZ PHE 84 HZ PHE 84 -3.973 -12.799 -12.334 593 H VAL 85 H VAL 85 -5.972 -16.436 -19.866 594 HA VAL 85 HA VAL 85 -7.250 -14.121 -21.121 595 HB VAL 85 HB VAL 85 -6.916 -16.906 -22.239 596 HG11 VAL 85 1HG1 VAL 85 -7.084 -15.147 -24.334 597 HG12 VAL 85 2HG1 VAL 85 -8.409 -16.137 -23.719 598 HG13 VAL 85 3HG1 VAL 85 -8.225 -14.470 -23.173 599 HG21 VAL 85 1HG2 VAL 85 -5.087 -14.588 -22.127 600 HG22 VAL 85 2HG2 VAL 85 -4.729 -16.312 -22.220 601 HG23 VAL 85 3HG2 VAL 85 -5.199 -15.429 -23.672 602 H LEU 86 H LEU 86 -9.430 -14.076 -21.666 603 HA LEU 86 HA LEU 86 -11.180 -15.415 -19.867 604 HB2 LEU 86 2HB LEU 86 -11.909 -13.303 -20.467 605 HB3 LEU 86 3HB LEU 86 -11.527 -13.546 -22.170 606 HG LEU 86 HG LEU 86 -13.479 -14.932 -22.458 607 HD11 LEU 86 1HD1 LEU 86 -15.003 -14.710 -20.192 608 HD12 LEU 86 2HD1 LEU 86 -13.391 -15.014 -19.546 609 HD13 LEU 86 3HD1 LEU 86 -14.107 -16.145 -20.693 610 HD21 LEU 86 1HD2 LEU 86 -14.915 -12.897 -21.025 611 HD22 LEU 86 2HD2 LEU 86 -14.712 -13.112 -22.764 612 HD23 LEU 86 3HD2 LEU 86 -13.515 -12.201 -21.842 613 H VAL 87 H VAL 87 -12.162 -17.315 -20.068 614 HA VAL 87 HA VAL 87 -12.316 -18.535 -22.749 615 HB VAL 87 HB VAL 87 -11.989 -20.045 -20.155 616 HG11 VAL 87 1HG1 VAL 87 -11.303 -21.852 -21.853 617 HG12 VAL 87 2HG1 VAL 87 -13.019 -21.479 -21.677 618 HG13 VAL 87 3HG1 VAL 87 -12.110 -20.834 -23.044 619 HG21 VAL 87 1HG2 VAL 87 -9.969 -19.070 -22.141 620 HG22 VAL 87 2HG2 VAL 87 -9.929 -18.984 -20.380 621 HG23 VAL 87 3HG2 VAL 87 -9.676 -20.528 -21.193 622 H ARG 88 H ARG 88 -14.141 -19.803 -23.217 623 HA ARG 88 HA ARG 88 -16.417 -19.380 -21.391 624 HB2 ARG 88 2HB ARG 88 -16.493 -18.118 -23.571 625 HB3 ARG 88 3HB ARG 88 -16.568 -19.671 -24.393 626 HG2 ARG 88 2HG ARG 88 -18.775 -19.488 -24.238 627 HG3 ARG 88 3HG ARG 88 -18.579 -19.851 -22.522 628 HD2 ARG 88 2HD ARG 88 -18.449 -17.484 -22.010 629 HD3 ARG 88 3HD ARG 88 -18.545 -17.086 -23.725 630 HE ARG 88 HE ARG 88 -20.720 -17.797 -21.985 631 HH11 ARG 88 1HH1 ARG 88 -19.606 -17.689 -25.282 632 HH12 ARG 88 2HH1 ARG 88 -21.202 -17.644 -25.956 633 HH21 ARG 88 1HH2 ARG 88 -22.825 -17.738 -22.861 634 HH22 ARG 88 2HH2 ARG 88 -23.032 -17.672 -24.578 635 H LYS 89 H LYS 89 -17.611 -21.105 -20.806 636 HA LYS 89 HA LYS 89 -16.740 -23.724 -21.799 637 HB2 LYS 89 2HB LYS 89 -16.679 -23.230 -19.336 638 HB3 LYS 89 3HB LYS 89 -18.434 -23.118 -19.371 639 HG2 LYS 89 2HG LYS 89 -18.430 -25.475 -20.293 640 HG3 LYS 89 3HG LYS 89 -16.718 -25.532 -19.863 641 HD2 LYS 89 2HD LYS 89 -17.506 -24.778 -17.527 642 HD3 LYS 89 3HD LYS 89 -19.109 -25.284 -18.068 643 HE2 LYS 89 2HE LYS 89 -17.697 -27.447 -18.780 644 HE3 LYS 89 3HE LYS 89 -16.715 -26.899 -17.422 645 HZ1 LYS 89 1HZ LYS 89 -18.546 -27.069 -15.968 646 HZ2 LYS 89 2HZ LYS 89 -18.537 -28.503 -16.866 647 HZ3 LYS 89 3HZ LYS 89 -19.648 -27.281 -17.235 648 H ALA 90 H ALA 90 -19.557 -21.668 -21.446 649 HA ALA 90 HA ALA 90 -20.979 -23.317 -23.376 650 HB1 ALA 90 1HB ALA 90 -21.675 -23.183 -20.534 651 HB2 ALA 90 2HB ALA 90 -23.018 -22.859 -21.631 652 HB3 ALA 90 3HB ALA 90 -22.120 -24.371 -21.760
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