USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 752 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 SER OG : rot 163:sc= -3.46! USER MOD Set 1.2: A 64 MET CE :methyl 162:sc= -2.88 (180deg=-1.61) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -115:sc= 0.984 (180deg=-0.708) USER MOD Single : A 16 LYS NZ :NH3+ -158:sc= 0.0795 (180deg=0.00291) USER MOD Single : A 17 TYR OH : rot 77:sc= -1.05 USER MOD Single : A 23 SER OG : rot -12:sc= 0.361! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.59! X(o=-1.6!,f=-1.5) USER MOD Single : A 35 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.261) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -7.88! C(o=-7.9!,f=-2.8!) USER MOD Single : A 43 SER OG : rot -136:sc= -4.34! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 78:sc= -3.4! USER MOD Single : A 61 HIS : no HE2:sc= -7.4! C(o=-7.4!,f=-9.5!) USER MOD Single : A 74 MET CE :methyl -142:sc= -4.5! (180deg=-7.68!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.00262) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -154:sc= 0.147 (180deg=0.0173) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 6 -13.933 -5.026 18.614 1.00 0.00 N ATOM 2 CA PRO A 6 -13.454 -3.631 18.785 1.00 0.00 C ATOM 3 C PRO A 6 -12.740 -3.145 17.523 1.00 0.00 C ATOM 4 O PRO A 6 -12.860 -3.728 16.463 1.00 0.00 O ATOM 5 CB PRO A 6 -12.475 -3.730 19.952 1.00 0.00 C ATOM 6 CG PRO A 6 -12.006 -5.151 19.949 1.00 0.00 C ATOM 7 CD PRO A 6 -13.115 -5.987 19.361 1.00 0.00 C ATOM 0 HA PRO A 6 -14.263 -2.924 18.966 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.641 -3.040 19.826 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.959 -3.477 20.895 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.094 -5.254 19.361 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.771 -5.481 20.961 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.723 -6.767 18.709 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.695 -6.483 20.139 1.00 0.00 H new ATOM 15 N TRP A 7 -11.995 -2.080 17.634 1.00 0.00 N ATOM 16 CA TRP A 7 -11.267 -1.550 16.450 1.00 0.00 C ATOM 17 C TRP A 7 -10.379 -2.639 15.854 1.00 0.00 C ATOM 18 O TRP A 7 -9.650 -3.313 16.555 1.00 0.00 O ATOM 19 CB TRP A 7 -10.418 -0.397 16.986 1.00 0.00 C ATOM 20 CG TRP A 7 -9.640 0.209 15.864 1.00 0.00 C ATOM 21 CD1 TRP A 7 -9.973 0.120 14.557 1.00 0.00 C ATOM 22 CD2 TRP A 7 -8.413 0.991 15.923 1.00 0.00 C ATOM 23 NE1 TRP A 7 -9.028 0.798 13.808 1.00 0.00 N ATOM 24 CE2 TRP A 7 -8.045 1.352 14.604 1.00 0.00 C ATOM 25 CE3 TRP A 7 -7.591 1.417 16.980 1.00 0.00 C ATOM 26 CZ2 TRP A 7 -6.902 2.110 14.346 1.00 0.00 C ATOM 27 CZ3 TRP A 7 -6.439 2.179 16.724 1.00 0.00 C ATOM 28 CH2 TRP A 7 -6.095 2.525 15.410 1.00 0.00 C ATOM 0 H TRP A 7 -11.860 -1.553 18.497 1.00 0.00 H new ATOM 0 HA TRP A 7 -11.943 -1.221 15.661 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -11.057 0.355 17.448 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -9.740 -0.759 17.759 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -10.836 -0.396 14.162 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -9.054 0.879 12.792 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -7.847 1.157 17.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.642 2.374 13.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.815 2.500 17.545 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.208 3.111 15.220 1.00 0.00 H new ATOM 39 N ALA A 8 -10.437 -2.822 14.566 1.00 0.00 N ATOM 40 CA ALA A 8 -9.599 -3.870 13.925 1.00 0.00 C ATOM 41 C ALA A 8 -8.165 -3.793 14.450 1.00 0.00 C ATOM 42 O ALA A 8 -7.438 -4.767 14.452 1.00 0.00 O ATOM 43 CB ALA A 8 -9.634 -3.540 12.439 1.00 0.00 C ATOM 0 H ALA A 8 -11.030 -2.290 13.929 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.963 -4.876 14.134 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.037 -4.269 11.890 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.664 -3.573 12.083 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.226 -2.542 12.278 1.00 0.00 H new ATOM 49 N VAL A 9 -7.755 -2.638 14.895 1.00 0.00 N ATOM 50 CA VAL A 9 -6.367 -2.494 15.418 1.00 0.00 C ATOM 51 C VAL A 9 -6.399 -2.255 16.928 1.00 0.00 C ATOM 52 O VAL A 9 -7.242 -1.542 17.436 1.00 0.00 O ATOM 53 CB VAL A 9 -5.791 -1.279 14.685 1.00 0.00 C ATOM 54 CG1 VAL A 9 -4.474 -0.863 15.340 1.00 0.00 C ATOM 55 CG2 VAL A 9 -5.536 -1.644 13.220 1.00 0.00 C ATOM 0 H VAL A 9 -8.319 -1.789 14.919 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.764 -3.387 15.253 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.500 -0.453 14.739 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.065 0.002 14.817 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.652 -0.605 16.384 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.764 -1.688 15.286 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.126 -0.781 12.696 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.827 -2.470 13.169 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.474 -1.942 12.751 1.00 0.00 H new ATOM 65 N LYS A 10 -5.494 -2.853 17.648 1.00 0.00 N ATOM 66 CA LYS A 10 -5.479 -2.668 19.127 1.00 0.00 C ATOM 67 C LYS A 10 -4.321 -1.759 19.538 1.00 0.00 C ATOM 68 O LYS A 10 -3.539 -1.339 18.707 1.00 0.00 O ATOM 69 CB LYS A 10 -5.285 -4.077 19.688 1.00 0.00 C ATOM 70 CG LYS A 10 -6.614 -4.593 20.241 1.00 0.00 C ATOM 71 CD LYS A 10 -6.392 -5.940 20.929 1.00 0.00 C ATOM 72 CE LYS A 10 -7.522 -6.193 21.930 1.00 0.00 C ATOM 73 NZ LYS A 10 -6.845 -6.723 23.147 1.00 0.00 N ATOM 0 H LYS A 10 -4.764 -3.462 17.278 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.390 -2.198 19.498 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.920 -4.744 18.907 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.531 -4.066 20.475 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.029 -3.875 20.949 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.339 -4.700 19.434 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.363 -6.739 20.188 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.430 -5.945 21.441 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.068 -5.275 22.150 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.245 -6.908 21.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.555 -6.921 23.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.339 -7.600 22.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.168 -6.018 23.502 1.00 0.00 H new ATOM 87 N PRO A 11 -4.243 -1.492 20.813 1.00 0.00 N ATOM 88 CA PRO A 11 -3.156 -0.633 21.339 1.00 0.00 C ATOM 89 C PRO A 11 -1.818 -1.359 21.207 1.00 0.00 C ATOM 90 O PRO A 11 -0.804 -0.765 20.897 1.00 0.00 O ATOM 91 CB PRO A 11 -3.539 -0.421 22.802 1.00 0.00 C ATOM 92 CG PRO A 11 -4.408 -1.589 23.141 1.00 0.00 C ATOM 93 CD PRO A 11 -5.141 -1.957 21.877 1.00 0.00 C ATOM 0 HA PRO A 11 -3.044 0.311 20.806 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.657 -0.386 23.441 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.070 0.521 22.940 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.810 -2.426 23.501 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.109 -1.334 23.936 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.317 -3.031 21.813 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.115 -1.471 21.822 1.00 0.00 H new ATOM 101 N GLU A 12 -1.809 -2.648 21.418 1.00 0.00 N ATOM 102 CA GLU A 12 -0.539 -3.413 21.280 1.00 0.00 C ATOM 103 C GLU A 12 -0.102 -3.396 19.815 1.00 0.00 C ATOM 104 O GLU A 12 1.070 -3.320 19.503 1.00 0.00 O ATOM 105 CB GLU A 12 -0.872 -4.835 21.733 1.00 0.00 C ATOM 106 CG GLU A 12 -1.734 -5.518 20.670 1.00 0.00 C ATOM 107 CD GLU A 12 -2.165 -6.897 21.172 1.00 0.00 C ATOM 108 OE1 GLU A 12 -1.328 -7.591 21.726 1.00 0.00 O ATOM 109 OE2 GLU A 12 -3.322 -7.237 20.991 1.00 0.00 O ATOM 0 H GLU A 12 -2.625 -3.202 21.679 1.00 0.00 H new ATOM 0 HA GLU A 12 0.275 -2.993 21.871 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.045 -5.402 21.892 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.401 -4.810 22.686 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.611 -4.909 20.451 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.174 -5.616 19.740 1.00 0.00 H new ATOM 116 N ASP A 13 -1.046 -3.439 18.915 1.00 0.00 N ATOM 117 CA ASP A 13 -0.704 -3.395 17.468 1.00 0.00 C ATOM 118 C ASP A 13 -0.476 -1.941 17.077 1.00 0.00 C ATOM 119 O ASP A 13 0.417 -1.615 16.321 1.00 0.00 O ATOM 120 CB ASP A 13 -1.927 -3.965 16.747 1.00 0.00 C ATOM 121 CG ASP A 13 -1.609 -5.368 16.226 1.00 0.00 C ATOM 122 OD1 ASP A 13 -0.496 -5.570 15.767 1.00 0.00 O ATOM 123 OD2 ASP A 13 -2.483 -6.215 16.293 1.00 0.00 O ATOM 0 H ASP A 13 -2.043 -3.503 19.122 1.00 0.00 H new ATOM 0 HA ASP A 13 0.194 -3.959 17.218 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.778 -4.003 17.427 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.210 -3.314 15.919 1.00 0.00 H new ATOM 128 N LYS A 14 -1.272 -1.063 17.620 1.00 0.00 N ATOM 129 CA LYS A 14 -1.102 0.381 17.322 1.00 0.00 C ATOM 130 C LYS A 14 0.145 0.888 18.044 1.00 0.00 C ATOM 131 O LYS A 14 0.671 1.941 17.741 1.00 0.00 O ATOM 132 CB LYS A 14 -2.359 1.055 17.874 1.00 0.00 C ATOM 133 CG LYS A 14 -2.475 2.471 17.304 1.00 0.00 C ATOM 134 CD LYS A 14 -2.009 3.484 18.352 1.00 0.00 C ATOM 135 CE LYS A 14 -2.373 4.899 17.894 1.00 0.00 C ATOM 136 NZ LYS A 14 -3.841 5.012 18.125 1.00 0.00 N ATOM 0 H LYS A 14 -2.035 -1.287 18.259 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.979 0.587 16.259 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.242 0.473 17.610 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.315 1.093 18.962 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.871 2.562 16.401 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.507 2.676 17.018 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.477 3.270 19.313 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.932 3.403 18.497 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.825 5.651 18.462 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.126 5.050 16.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.329 5.121 17.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.185 4.153 18.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.036 5.840 18.723 1.00 0.00 H new ATOM 150 N ALA A 15 0.629 0.127 18.990 1.00 0.00 N ATOM 151 CA ALA A 15 1.853 0.538 19.730 1.00 0.00 C ATOM 152 C ALA A 15 3.062 0.336 18.824 1.00 0.00 C ATOM 153 O ALA A 15 3.937 1.174 18.736 1.00 0.00 O ATOM 154 CB ALA A 15 1.921 -0.389 20.944 1.00 0.00 C ATOM 0 H ALA A 15 0.226 -0.764 19.281 1.00 0.00 H new ATOM 0 HA ALA A 15 1.837 1.584 20.037 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.801 -0.145 21.539 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.025 -0.260 21.551 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.986 -1.424 20.608 1.00 0.00 H new ATOM 160 N LYS A 16 3.099 -0.763 18.123 1.00 0.00 N ATOM 161 CA LYS A 16 4.227 -1.005 17.195 1.00 0.00 C ATOM 162 C LYS A 16 4.032 -0.103 15.972 1.00 0.00 C ATOM 163 O LYS A 16 4.964 0.224 15.265 1.00 0.00 O ATOM 164 CB LYS A 16 4.151 -2.505 16.858 1.00 0.00 C ATOM 165 CG LYS A 16 3.435 -2.724 15.527 1.00 0.00 C ATOM 166 CD LYS A 16 3.551 -4.197 15.124 1.00 0.00 C ATOM 167 CE LYS A 16 2.378 -4.986 15.713 1.00 0.00 C ATOM 168 NZ LYS A 16 2.247 -6.188 14.843 1.00 0.00 N ATOM 0 H LYS A 16 2.395 -1.501 18.156 1.00 0.00 H new ATOM 0 HA LYS A 16 5.210 -0.772 17.604 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.156 -2.923 16.809 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.624 -3.035 17.652 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.386 -2.441 15.615 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.873 -2.089 14.757 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.554 -4.288 14.038 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.495 -4.609 15.481 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.572 -5.267 16.748 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.463 -4.394 15.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.285 -6.574 14.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.429 -5.922 13.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.936 -6.908 15.140 1.00 0.00 H new ATOM 182 N TYR A 17 2.817 0.331 15.753 1.00 0.00 N ATOM 183 CA TYR A 17 2.539 1.247 14.613 1.00 0.00 C ATOM 184 C TYR A 17 2.948 2.661 15.017 1.00 0.00 C ATOM 185 O TYR A 17 3.341 3.468 14.199 1.00 0.00 O ATOM 186 CB TYR A 17 1.021 1.185 14.392 1.00 0.00 C ATOM 187 CG TYR A 17 0.598 -0.207 13.975 1.00 0.00 C ATOM 188 CD1 TYR A 17 1.544 -1.231 13.852 1.00 0.00 C ATOM 189 CD2 TYR A 17 -0.755 -0.471 13.714 1.00 0.00 C ATOM 190 CE1 TYR A 17 1.140 -2.517 13.470 1.00 0.00 C ATOM 191 CE2 TYR A 17 -1.159 -1.755 13.331 1.00 0.00 C ATOM 192 CZ TYR A 17 -0.211 -2.779 13.210 1.00 0.00 C ATOM 193 OH TYR A 17 -0.608 -4.046 12.832 1.00 0.00 O ATOM 0 H TYR A 17 2.004 0.088 16.319 1.00 0.00 H new ATOM 0 HA TYR A 17 3.083 0.971 13.710 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.503 1.469 15.308 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.730 1.904 13.626 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.586 -1.030 14.052 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.486 0.318 13.809 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.871 -3.307 13.376 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.201 -1.956 13.129 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.624 -4.632 13.617 1.00 0.00 H new ATOM 203 N ASP A 18 2.853 2.960 16.287 1.00 0.00 N ATOM 204 CA ASP A 18 3.230 4.319 16.774 1.00 0.00 C ATOM 205 C ASP A 18 4.752 4.467 16.800 1.00 0.00 C ATOM 206 O ASP A 18 5.276 5.554 16.937 1.00 0.00 O ATOM 207 CB ASP A 18 2.655 4.406 18.188 1.00 0.00 C ATOM 208 CG ASP A 18 2.645 5.865 18.649 1.00 0.00 C ATOM 209 OD1 ASP A 18 1.734 6.580 18.266 1.00 0.00 O ATOM 210 OD2 ASP A 18 3.548 6.241 19.379 1.00 0.00 O ATOM 0 H ASP A 18 2.529 2.318 17.010 1.00 0.00 H new ATOM 0 HA ASP A 18 2.847 5.111 16.130 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.643 4.002 18.205 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.251 3.802 18.872 1.00 0.00 H new ATOM 215 N ALA A 19 5.466 3.386 16.640 1.00 0.00 N ATOM 216 CA ALA A 19 6.951 3.479 16.624 1.00 0.00 C ATOM 217 C ALA A 19 7.383 3.597 15.174 1.00 0.00 C ATOM 218 O ALA A 19 8.297 4.317 14.826 1.00 0.00 O ATOM 219 CB ALA A 19 7.451 2.173 17.237 1.00 0.00 C ATOM 0 H ALA A 19 5.086 2.447 16.520 1.00 0.00 H new ATOM 0 HA ALA A 19 7.343 4.333 17.176 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.541 2.174 17.256 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.070 2.079 18.254 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.099 1.332 16.639 1.00 0.00 H new ATOM 225 N ILE A 20 6.678 2.914 14.322 1.00 0.00 N ATOM 226 CA ILE A 20 6.963 2.984 12.877 1.00 0.00 C ATOM 227 C ILE A 20 6.426 4.317 12.369 1.00 0.00 C ATOM 228 O ILE A 20 6.941 4.907 11.440 1.00 0.00 O ATOM 229 CB ILE A 20 6.169 1.820 12.294 1.00 0.00 C ATOM 230 CG1 ILE A 20 6.915 0.508 12.542 1.00 0.00 C ATOM 231 CG2 ILE A 20 5.983 2.026 10.798 1.00 0.00 C ATOM 232 CD1 ILE A 20 5.918 -0.655 12.524 1.00 0.00 C ATOM 0 H ILE A 20 5.904 2.301 14.576 1.00 0.00 H new ATOM 0 HA ILE A 20 8.019 2.921 12.615 1.00 0.00 H new ATOM 0 HB ILE A 20 5.193 1.775 12.777 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.677 0.360 11.777 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.430 0.545 13.502 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.415 1.193 10.384 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.442 2.956 10.623 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.958 2.077 10.314 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.448 -1.591 12.701 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.172 -0.507 13.305 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.424 -0.695 11.553 1.00 0.00 H new ATOM 244 N PHE A 21 5.391 4.797 13.004 1.00 0.00 N ATOM 245 CA PHE A 21 4.796 6.098 12.610 1.00 0.00 C ATOM 246 C PHE A 21 5.736 7.224 13.047 1.00 0.00 C ATOM 247 O PHE A 21 5.954 8.184 12.336 1.00 0.00 O ATOM 248 CB PHE A 21 3.456 6.148 13.360 1.00 0.00 C ATOM 249 CG PHE A 21 3.113 7.564 13.757 1.00 0.00 C ATOM 250 CD1 PHE A 21 3.729 8.146 14.873 1.00 0.00 C ATOM 251 CD2 PHE A 21 2.177 8.292 13.015 1.00 0.00 C ATOM 252 CE1 PHE A 21 3.409 9.456 15.244 1.00 0.00 C ATOM 253 CE2 PHE A 21 1.856 9.602 13.386 1.00 0.00 C ATOM 254 CZ PHE A 21 2.473 10.184 14.501 1.00 0.00 C ATOM 0 H PHE A 21 4.930 4.335 13.788 1.00 0.00 H new ATOM 0 HA PHE A 21 4.648 6.210 11.536 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.666 5.742 12.729 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.509 5.519 14.249 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.451 7.583 15.446 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.702 7.843 12.155 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.884 9.905 16.103 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.133 10.164 12.813 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.226 11.196 14.787 1.00 0.00 H new ATOM 264 N ASP A 22 6.303 7.096 14.211 1.00 0.00 N ATOM 265 CA ASP A 22 7.241 8.142 14.701 1.00 0.00 C ATOM 266 C ASP A 22 8.646 7.868 14.161 1.00 0.00 C ATOM 267 O ASP A 22 9.574 8.613 14.409 1.00 0.00 O ATOM 268 CB ASP A 22 7.210 8.034 16.226 1.00 0.00 C ATOM 269 CG ASP A 22 8.415 8.774 16.812 1.00 0.00 C ATOM 270 OD1 ASP A 22 8.370 9.992 16.863 1.00 0.00 O ATOM 271 OD2 ASP A 22 9.361 8.109 17.199 1.00 0.00 O ATOM 0 H ASP A 22 6.158 6.311 14.846 1.00 0.00 H new ATOM 0 HA ASP A 22 6.960 9.142 14.370 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.284 8.460 16.613 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.230 6.987 16.528 1.00 0.00 H new ATOM 276 N SER A 23 8.804 6.819 13.395 1.00 0.00 N ATOM 277 CA SER A 23 10.142 6.518 12.810 1.00 0.00 C ATOM 278 C SER A 23 10.234 7.182 11.436 1.00 0.00 C ATOM 279 O SER A 23 11.260 7.168 10.785 1.00 0.00 O ATOM 280 CB SER A 23 10.198 4.997 12.679 1.00 0.00 C ATOM 281 OG SER A 23 11.303 4.638 11.857 1.00 0.00 O ATOM 0 H SER A 23 8.065 6.160 13.151 1.00 0.00 H new ATOM 0 HA SER A 23 10.966 6.888 13.420 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.298 4.539 13.663 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.270 4.623 12.246 1.00 0.00 H new ATOM 0 HG SER A 23 11.656 5.439 11.416 1.00 0.00 H new ATOM 287 N LEU A 24 9.152 7.774 11.004 1.00 0.00 N ATOM 288 CA LEU A 24 9.130 8.461 9.682 1.00 0.00 C ATOM 289 C LEU A 24 9.072 9.973 9.907 1.00 0.00 C ATOM 290 O LEU A 24 9.095 10.751 8.973 1.00 0.00 O ATOM 291 CB LEU A 24 7.842 7.999 8.980 1.00 0.00 C ATOM 292 CG LEU A 24 7.325 6.691 9.581 1.00 0.00 C ATOM 293 CD1 LEU A 24 6.042 6.269 8.863 1.00 0.00 C ATOM 294 CD2 LEU A 24 8.382 5.601 9.412 1.00 0.00 C ATOM 0 H LEU A 24 8.272 7.810 11.519 1.00 0.00 H new ATOM 0 HA LEU A 24 10.014 8.228 9.088 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.078 8.771 9.070 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.033 7.863 7.916 1.00 0.00 H new ATOM 0 HG LEU A 24 7.117 6.837 10.641 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.675 5.337 9.292 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.286 7.046 8.982 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.249 6.123 7.803 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.015 4.668 9.840 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.590 5.457 8.352 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.297 5.899 9.924 1.00 0.00 H new ATOM 306 N SER A 25 8.972 10.381 11.148 1.00 0.00 N ATOM 307 CA SER A 25 8.887 11.837 11.487 1.00 0.00 C ATOM 308 C SER A 25 7.461 12.337 11.260 1.00 0.00 C ATOM 309 O SER A 25 7.091 12.720 10.169 1.00 0.00 O ATOM 310 CB SER A 25 9.867 12.556 10.565 1.00 0.00 C ATOM 311 OG SER A 25 10.673 13.445 11.329 1.00 0.00 O ATOM 0 H SER A 25 8.945 9.757 11.954 1.00 0.00 H new ATOM 0 HA SER A 25 9.137 12.022 12.532 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.496 11.831 10.049 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.323 13.109 9.799 1.00 0.00 H new ATOM 0 HG SER A 25 11.304 13.906 10.737 1.00 0.00 H new ATOM 317 N PRO A 26 6.710 12.302 12.321 1.00 0.00 N ATOM 318 CA PRO A 26 5.294 12.739 12.291 1.00 0.00 C ATOM 319 C PRO A 26 5.198 14.261 12.225 1.00 0.00 C ATOM 320 O PRO A 26 6.016 14.976 12.769 1.00 0.00 O ATOM 321 CB PRO A 26 4.735 12.226 13.613 1.00 0.00 C ATOM 322 CG PRO A 26 5.919 12.119 14.517 1.00 0.00 C ATOM 323 CD PRO A 26 7.122 11.851 13.649 1.00 0.00 C ATOM 0 HA PRO A 26 4.753 12.363 11.423 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.989 12.910 14.018 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.246 11.260 13.487 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.053 13.039 15.086 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.780 11.315 15.240 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.997 12.396 14.001 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.385 10.793 13.647 1.00 0.00 H new ATOM 331 N VAL A 27 4.192 14.752 11.569 1.00 0.00 N ATOM 332 CA VAL A 27 4.008 16.224 11.464 1.00 0.00 C ATOM 333 C VAL A 27 2.670 16.614 12.095 1.00 0.00 C ATOM 334 O VAL A 27 1.617 16.381 11.535 1.00 0.00 O ATOM 335 CB VAL A 27 4.010 16.514 9.962 1.00 0.00 C ATOM 336 CG1 VAL A 27 3.759 18.004 9.729 1.00 0.00 C ATOM 337 CG2 VAL A 27 5.370 16.130 9.373 1.00 0.00 C ATOM 0 H VAL A 27 3.481 14.194 11.096 1.00 0.00 H new ATOM 0 HA VAL A 27 4.784 16.789 11.981 1.00 0.00 H new ATOM 0 HB VAL A 27 3.224 15.933 9.479 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.761 18.210 8.659 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.793 18.280 10.150 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.545 18.585 10.212 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.374 16.336 8.303 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.154 16.712 9.857 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.552 15.068 9.539 1.00 0.00 H new ATOM 347 N ASN A 28 2.698 17.192 13.266 1.00 0.00 N ATOM 348 CA ASN A 28 1.422 17.576 13.935 1.00 0.00 C ATOM 349 C ASN A 28 0.537 16.336 14.108 1.00 0.00 C ATOM 350 O ASN A 28 -0.667 16.428 14.232 1.00 0.00 O ATOM 351 CB ASN A 28 0.766 18.585 12.989 1.00 0.00 C ATOM 352 CG ASN A 28 -0.455 19.212 13.669 1.00 0.00 C ATOM 353 OD1 ASN A 28 -0.371 20.292 14.218 1.00 0.00 O ATOM 354 ND2 ASN A 28 -1.595 18.577 13.654 1.00 0.00 N ATOM 0 H ASN A 28 3.547 17.414 13.787 1.00 0.00 H new ATOM 0 HA ASN A 28 1.578 18.000 14.927 1.00 0.00 H new ATOM 0 HB2 ASN A 28 1.481 19.361 12.717 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.466 18.090 12.065 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -2.414 18.988 14.103 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.667 17.670 13.193 1.00 0.00 H new ATOM 361 N GLY A 29 1.133 15.172 14.113 1.00 0.00 N ATOM 362 CA GLY A 29 0.336 13.921 14.271 1.00 0.00 C ATOM 363 C GLY A 29 -0.003 13.364 12.889 1.00 0.00 C ATOM 364 O GLY A 29 -1.046 12.775 12.683 1.00 0.00 O ATOM 0 H GLY A 29 2.139 15.034 14.014 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.901 13.186 14.844 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.578 14.126 14.828 1.00 0.00 H new ATOM 368 N PHE A 30 0.871 13.549 11.938 1.00 0.00 N ATOM 369 CA PHE A 30 0.603 13.038 10.565 1.00 0.00 C ATOM 370 C PHE A 30 1.900 12.700 9.843 1.00 0.00 C ATOM 371 O PHE A 30 2.947 13.255 10.115 1.00 0.00 O ATOM 372 CB PHE A 30 -0.103 14.181 9.844 1.00 0.00 C ATOM 373 CG PHE A 30 -1.471 14.354 10.436 1.00 0.00 C ATOM 374 CD1 PHE A 30 -2.524 13.552 9.993 1.00 0.00 C ATOM 375 CD2 PHE A 30 -1.684 15.309 11.432 1.00 0.00 C ATOM 376 CE1 PHE A 30 -3.800 13.706 10.548 1.00 0.00 C ATOM 377 CE2 PHE A 30 -2.955 15.465 11.989 1.00 0.00 C ATOM 378 CZ PHE A 30 -4.017 14.664 11.547 1.00 0.00 C ATOM 0 H PHE A 30 1.761 14.033 12.054 1.00 0.00 H new ATOM 0 HA PHE A 30 0.007 12.126 10.591 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.471 15.102 9.944 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.177 13.966 8.778 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.355 12.814 9.223 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.866 15.927 11.772 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.616 13.087 10.206 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.120 16.203 12.760 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.001 14.785 11.976 1.00 0.00 H new ATOM 388 N LEU A 31 1.826 11.813 8.898 1.00 0.00 N ATOM 389 CA LEU A 31 3.038 11.454 8.117 1.00 0.00 C ATOM 390 C LEU A 31 2.725 11.603 6.639 1.00 0.00 C ATOM 391 O LEU A 31 1.718 11.128 6.159 1.00 0.00 O ATOM 392 CB LEU A 31 3.347 10.000 8.453 1.00 0.00 C ATOM 393 CG LEU A 31 3.913 9.915 9.868 1.00 0.00 C ATOM 394 CD1 LEU A 31 3.688 8.506 10.417 1.00 0.00 C ATOM 395 CD2 LEU A 31 5.412 10.222 9.830 1.00 0.00 C ATOM 0 H LEU A 31 0.975 11.318 8.630 1.00 0.00 H new ATOM 0 HA LEU A 31 3.889 12.092 8.353 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.442 9.397 8.375 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.063 9.594 7.738 1.00 0.00 H new ATOM 0 HG LEU A 31 3.412 10.638 10.512 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.091 8.441 11.428 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.620 8.290 10.437 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.193 7.782 9.778 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.821 10.163 10.839 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.916 9.497 9.191 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.568 11.225 9.434 1.00 0.00 H new ATOM 407 N SER A 32 3.566 12.267 5.914 1.00 0.00 N ATOM 408 CA SER A 32 3.294 12.454 4.465 1.00 0.00 C ATOM 409 C SER A 32 3.608 11.175 3.696 1.00 0.00 C ATOM 410 O SER A 32 4.574 10.493 3.973 1.00 0.00 O ATOM 411 CB SER A 32 4.215 13.587 4.026 1.00 0.00 C ATOM 412 OG SER A 32 4.567 14.375 5.156 1.00 0.00 O ATOM 0 H SER A 32 4.429 12.689 6.256 1.00 0.00 H new ATOM 0 HA SER A 32 2.247 12.687 4.272 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.112 13.181 3.559 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.718 14.205 3.278 1.00 0.00 H new ATOM 0 HG SER A 32 5.353 14.921 4.942 1.00 0.00 H new ATOM 418 N GLY A 33 2.793 10.845 2.732 1.00 0.00 N ATOM 419 CA GLY A 33 3.039 9.608 1.937 1.00 0.00 C ATOM 420 C GLY A 33 4.532 9.492 1.626 1.00 0.00 C ATOM 421 O GLY A 33 5.057 8.410 1.460 1.00 0.00 O ATOM 0 H GLY A 33 1.967 11.378 2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.703 8.733 2.493 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.465 9.637 1.011 1.00 0.00 H new ATOM 425 N ASP A 34 5.223 10.598 1.549 1.00 0.00 N ATOM 426 CA ASP A 34 6.684 10.546 1.250 1.00 0.00 C ATOM 427 C ASP A 34 7.410 9.690 2.293 1.00 0.00 C ATOM 428 O ASP A 34 8.423 9.081 2.012 1.00 0.00 O ATOM 429 CB ASP A 34 7.157 11.999 1.327 1.00 0.00 C ATOM 430 CG ASP A 34 8.621 12.086 0.891 1.00 0.00 C ATOM 431 OD1 ASP A 34 9.026 11.275 0.073 1.00 0.00 O ATOM 432 OD2 ASP A 34 9.314 12.963 1.381 1.00 0.00 O ATOM 0 H ASP A 34 4.840 11.534 1.680 1.00 0.00 H new ATOM 0 HA ASP A 34 6.889 10.101 0.276 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.538 12.628 0.687 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.047 12.374 2.344 1.00 0.00 H new ATOM 437 N LYS A 35 6.897 9.634 3.490 1.00 0.00 N ATOM 438 CA LYS A 35 7.551 8.813 4.549 1.00 0.00 C ATOM 439 C LYS A 35 6.836 7.475 4.667 1.00 0.00 C ATOM 440 O LYS A 35 7.446 6.439 4.838 1.00 0.00 O ATOM 441 CB LYS A 35 7.395 9.628 5.827 1.00 0.00 C ATOM 442 CG LYS A 35 7.795 11.071 5.537 1.00 0.00 C ATOM 443 CD LYS A 35 7.537 11.935 6.771 1.00 0.00 C ATOM 444 CE LYS A 35 7.134 13.346 6.335 1.00 0.00 C ATOM 445 NZ LYS A 35 8.352 13.916 5.693 1.00 0.00 N ATOM 0 H LYS A 35 6.051 10.122 3.782 1.00 0.00 H new ATOM 0 HA LYS A 35 8.598 8.599 4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.364 9.585 6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.020 9.214 6.618 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.849 11.118 5.262 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.227 11.453 4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.748 11.492 7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.432 11.977 7.392 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.297 13.319 5.638 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.820 13.948 7.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.252 14.948 5.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.187 13.692 6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.469 13.506 4.744 1.00 0.00 H new ATOM 459 N VAL A 36 5.543 7.497 4.564 1.00 0.00 N ATOM 460 CA VAL A 36 4.770 6.232 4.653 1.00 0.00 C ATOM 461 C VAL A 36 4.928 5.428 3.361 1.00 0.00 C ATOM 462 O VAL A 36 4.913 4.214 3.365 1.00 0.00 O ATOM 463 CB VAL A 36 3.320 6.668 4.819 1.00 0.00 C ATOM 464 CG1 VAL A 36 2.417 5.434 4.844 1.00 0.00 C ATOM 465 CG2 VAL A 36 3.173 7.450 6.125 1.00 0.00 C ATOM 0 H VAL A 36 4.984 8.338 4.421 1.00 0.00 H new ATOM 0 HA VAL A 36 5.109 5.600 5.474 1.00 0.00 H new ATOM 0 HB VAL A 36 3.029 7.306 3.984 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.379 5.745 4.963 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.526 4.884 3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.701 4.792 5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.136 7.763 6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.461 6.816 6.963 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.817 8.329 6.097 1.00 0.00 H new ATOM 475 N LYS A 37 5.072 6.100 2.250 1.00 0.00 N ATOM 476 CA LYS A 37 5.219 5.368 0.955 1.00 0.00 C ATOM 477 C LYS A 37 6.333 4.322 1.058 1.00 0.00 C ATOM 478 O LYS A 37 6.096 3.149 0.844 1.00 0.00 O ATOM 479 CB LYS A 37 5.559 6.438 -0.087 1.00 0.00 C ATOM 480 CG LYS A 37 6.168 5.777 -1.326 1.00 0.00 C ATOM 481 CD LYS A 37 6.555 6.854 -2.340 1.00 0.00 C ATOM 482 CE LYS A 37 8.074 6.861 -2.525 1.00 0.00 C ATOM 483 NZ LYS A 37 8.282 6.791 -3.999 1.00 0.00 N ATOM 0 H LYS A 37 5.094 7.117 2.181 1.00 0.00 H new ATOM 0 HA LYS A 37 4.311 4.829 0.685 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.660 6.990 -0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.260 7.159 0.334 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.045 5.194 -1.046 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.453 5.084 -1.770 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.063 6.664 -3.294 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.216 7.831 -1.996 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.519 7.764 -2.106 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.537 6.013 -2.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.301 6.792 -4.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.854 5.918 -4.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.836 7.614 -4.452 1.00 0.00 H new ATOM 497 N PRO A 38 7.510 4.771 1.402 1.00 0.00 N ATOM 498 CA PRO A 38 8.655 3.841 1.553 1.00 0.00 C ATOM 499 C PRO A 38 8.387 2.905 2.728 1.00 0.00 C ATOM 500 O PRO A 38 8.798 1.763 2.746 1.00 0.00 O ATOM 501 CB PRO A 38 9.834 4.770 1.841 1.00 0.00 C ATOM 502 CG PRO A 38 9.209 6.009 2.397 1.00 0.00 C ATOM 503 CD PRO A 38 7.891 6.159 1.689 1.00 0.00 C ATOM 0 HA PRO A 38 8.834 3.210 0.683 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.527 4.322 2.553 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.401 4.984 0.935 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.066 5.925 3.474 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.845 6.878 2.227 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.152 6.659 2.314 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.988 6.748 0.777 1.00 0.00 H new ATOM 511 N VAL A 39 7.683 3.400 3.702 1.00 0.00 N ATOM 512 CA VAL A 39 7.351 2.575 4.893 1.00 0.00 C ATOM 513 C VAL A 39 6.284 1.542 4.537 1.00 0.00 C ATOM 514 O VAL A 39 6.084 0.582 5.248 1.00 0.00 O ATOM 515 CB VAL A 39 6.809 3.581 5.900 1.00 0.00 C ATOM 516 CG1 VAL A 39 6.003 2.861 6.977 1.00 0.00 C ATOM 517 CG2 VAL A 39 7.968 4.342 6.543 1.00 0.00 C ATOM 0 H VAL A 39 7.319 4.352 3.725 1.00 0.00 H new ATOM 0 HA VAL A 39 8.207 2.020 5.277 1.00 0.00 H new ATOM 0 HB VAL A 39 6.158 4.286 5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.620 3.589 7.692 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.169 2.332 6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.644 2.147 7.494 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.576 5.061 7.263 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.626 3.639 7.054 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.529 4.870 5.772 1.00 0.00 H new ATOM 527 N LEU A 40 5.603 1.726 3.442 1.00 0.00 N ATOM 528 CA LEU A 40 4.566 0.735 3.043 1.00 0.00 C ATOM 529 C LEU A 40 5.199 -0.279 2.091 1.00 0.00 C ATOM 530 O LEU A 40 4.687 -1.360 1.879 1.00 0.00 O ATOM 531 CB LEU A 40 3.486 1.538 2.321 1.00 0.00 C ATOM 532 CG LEU A 40 2.673 2.348 3.332 1.00 0.00 C ATOM 533 CD1 LEU A 40 1.680 3.243 2.588 1.00 0.00 C ATOM 534 CD2 LEU A 40 1.905 1.399 4.251 1.00 0.00 C ATOM 0 H LEU A 40 5.718 2.516 2.808 1.00 0.00 H new ATOM 0 HA LEU A 40 4.152 0.193 3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.944 2.206 1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.829 0.866 1.769 1.00 0.00 H new ATOM 0 HG LEU A 40 3.348 2.964 3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.100 3.820 3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.224 3.922 1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.008 2.625 1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.326 1.978 4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.231 0.782 3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.609 0.759 4.783 1.00 0.00 H new ATOM 546 N LEU A 41 6.318 0.075 1.519 1.00 0.00 N ATOM 547 CA LEU A 41 7.013 -0.845 0.580 1.00 0.00 C ATOM 548 C LEU A 41 7.823 -1.864 1.362 1.00 0.00 C ATOM 549 O LEU A 41 7.959 -3.003 0.965 1.00 0.00 O ATOM 550 CB LEU A 41 7.941 0.054 -0.222 1.00 0.00 C ATOM 551 CG LEU A 41 7.102 0.997 -1.069 1.00 0.00 C ATOM 552 CD1 LEU A 41 7.938 2.218 -1.435 1.00 0.00 C ATOM 553 CD2 LEU A 41 6.664 0.260 -2.331 1.00 0.00 C ATOM 0 H LEU A 41 6.783 0.971 1.665 1.00 0.00 H new ATOM 0 HA LEU A 41 6.320 -1.397 -0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.587 0.622 0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.591 -0.547 -0.858 1.00 0.00 H new ATOM 0 HG LEU A 41 6.221 1.325 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.342 2.898 -2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.255 2.728 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.816 1.902 -1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.061 0.924 -2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.544 -0.057 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.074 -0.614 -2.056 1.00 0.00 H new ATOM 565 N ASN A 42 8.355 -1.466 2.480 1.00 0.00 N ATOM 566 CA ASN A 42 9.146 -2.418 3.296 1.00 0.00 C ATOM 567 C ASN A 42 8.423 -3.769 3.371 1.00 0.00 C ATOM 568 O ASN A 42 9.031 -4.800 3.573 1.00 0.00 O ATOM 569 CB ASN A 42 9.220 -1.773 4.681 1.00 0.00 C ATOM 570 CG ASN A 42 7.874 -1.940 5.393 1.00 0.00 C ATOM 571 OD1 ASN A 42 7.825 -2.376 6.526 1.00 0.00 O ATOM 572 ND2 ASN A 42 6.770 -1.609 4.775 1.00 0.00 N ATOM 0 H ASN A 42 8.276 -0.524 2.862 1.00 0.00 H new ATOM 0 HA ASN A 42 10.135 -2.607 2.878 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.014 -2.235 5.268 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.466 -0.715 4.589 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.871 -1.717 5.244 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.808 -1.243 3.824 1.00 0.00 H new ATOM 579 N SER A 43 7.124 -3.765 3.213 1.00 0.00 N ATOM 580 CA SER A 43 6.355 -5.041 3.279 1.00 0.00 C ATOM 581 C SER A 43 6.597 -5.870 2.016 1.00 0.00 C ATOM 582 O SER A 43 6.135 -6.987 1.898 1.00 0.00 O ATOM 583 CB SER A 43 4.894 -4.603 3.367 1.00 0.00 C ATOM 584 OG SER A 43 4.214 -4.968 2.172 1.00 0.00 O ATOM 0 H SER A 43 6.563 -2.931 3.041 1.00 0.00 H new ATOM 0 HA SER A 43 6.649 -5.665 4.123 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.415 -5.070 4.227 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.835 -3.525 3.516 1.00 0.00 H new ATOM 0 HG SER A 43 3.649 -4.224 1.877 1.00 0.00 H new ATOM 590 N LYS A 44 7.315 -5.326 1.073 1.00 0.00 N ATOM 591 CA LYS A 44 7.594 -6.069 -0.194 1.00 0.00 C ATOM 592 C LYS A 44 6.328 -6.140 -1.054 1.00 0.00 C ATOM 593 O LYS A 44 6.286 -6.816 -2.062 1.00 0.00 O ATOM 594 CB LYS A 44 8.026 -7.472 0.241 1.00 0.00 C ATOM 595 CG LYS A 44 9.061 -8.017 -0.744 1.00 0.00 C ATOM 596 CD LYS A 44 10.441 -8.011 -0.084 1.00 0.00 C ATOM 597 CE LYS A 44 11.514 -8.298 -1.136 1.00 0.00 C ATOM 598 NZ LYS A 44 12.500 -7.193 -0.989 1.00 0.00 N ATOM 0 H LYS A 44 7.724 -4.393 1.123 1.00 0.00 H new ATOM 0 HA LYS A 44 8.362 -5.580 -0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.447 -7.439 1.246 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.161 -8.134 0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.794 -9.030 -1.046 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.075 -7.408 -1.648 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.627 -7.045 0.385 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.481 -8.762 0.705 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.981 -9.269 -0.969 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.088 -8.317 -2.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.269 -7.320 -1.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.028 -6.282 -1.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.893 -7.204 -0.026 1.00 0.00 H new ATOM 612 N LEU A 45 5.297 -5.443 -0.661 1.00 0.00 N ATOM 613 CA LEU A 45 4.032 -5.466 -1.452 1.00 0.00 C ATOM 614 C LEU A 45 4.135 -4.517 -2.644 1.00 0.00 C ATOM 615 O LEU A 45 4.956 -3.620 -2.661 1.00 0.00 O ATOM 616 CB LEU A 45 2.955 -4.981 -0.485 1.00 0.00 C ATOM 617 CG LEU A 45 2.461 -6.150 0.365 1.00 0.00 C ATOM 618 CD1 LEU A 45 1.345 -5.662 1.289 1.00 0.00 C ATOM 619 CD2 LEU A 45 1.920 -7.256 -0.545 1.00 0.00 C ATOM 0 H LEU A 45 5.275 -4.858 0.174 1.00 0.00 H new ATOM 0 HA LEU A 45 3.814 -6.457 -1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.356 -4.196 0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.124 -4.546 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 45 3.286 -6.543 0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.988 -6.492 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.728 -4.874 1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.522 -5.271 0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.568 -8.089 0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.093 -6.866 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.713 -7.601 -1.209 1.00 0.00 H new ATOM 631 N PRO A 46 3.284 -4.745 -3.604 1.00 0.00 N ATOM 632 CA PRO A 46 3.263 -3.899 -4.816 1.00 0.00 C ATOM 633 C PRO A 46 2.637 -2.535 -4.507 1.00 0.00 C ATOM 634 O PRO A 46 2.000 -2.347 -3.490 1.00 0.00 O ATOM 635 CB PRO A 46 2.402 -4.696 -5.792 1.00 0.00 C ATOM 636 CG PRO A 46 1.536 -5.566 -4.942 1.00 0.00 C ATOM 637 CD PRO A 46 2.275 -5.806 -3.649 1.00 0.00 C ATOM 0 HA PRO A 46 4.256 -3.687 -5.212 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.801 -4.034 -6.416 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.020 -5.293 -6.463 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.576 -5.085 -4.753 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.326 -6.510 -5.446 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.604 -5.753 -2.792 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.736 -6.794 -3.632 1.00 0.00 H new ATOM 645 N VAL A 47 2.823 -1.582 -5.377 1.00 0.00 N ATOM 646 CA VAL A 47 2.253 -0.223 -5.150 1.00 0.00 C ATOM 647 C VAL A 47 0.723 -0.278 -5.167 1.00 0.00 C ATOM 648 O VAL A 47 0.057 0.681 -4.834 1.00 0.00 O ATOM 649 CB VAL A 47 2.783 0.620 -6.312 1.00 0.00 C ATOM 650 CG1 VAL A 47 1.919 1.872 -6.481 1.00 0.00 C ATOM 651 CG2 VAL A 47 4.226 1.037 -6.018 1.00 0.00 C ATOM 0 H VAL A 47 3.350 -1.687 -6.244 1.00 0.00 H new ATOM 0 HA VAL A 47 2.537 0.192 -4.183 1.00 0.00 H new ATOM 0 HB VAL A 47 2.748 0.032 -7.229 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.301 2.468 -7.310 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.890 1.579 -6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.950 2.462 -5.565 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.607 1.638 -6.844 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.255 1.623 -5.099 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.845 0.148 -5.901 1.00 0.00 H new ATOM 661 N ASP A 48 0.157 -1.397 -5.531 1.00 0.00 N ATOM 662 CA ASP A 48 -1.323 -1.498 -5.538 1.00 0.00 C ATOM 663 C ASP A 48 -1.798 -1.617 -4.103 1.00 0.00 C ATOM 664 O ASP A 48 -2.771 -1.011 -3.699 1.00 0.00 O ATOM 665 CB ASP A 48 -1.645 -2.770 -6.309 1.00 0.00 C ATOM 666 CG ASP A 48 -1.923 -2.434 -7.776 1.00 0.00 C ATOM 667 OD1 ASP A 48 -1.630 -1.319 -8.175 1.00 0.00 O ATOM 668 OD2 ASP A 48 -2.427 -3.298 -8.474 1.00 0.00 O ATOM 0 H ASP A 48 0.655 -2.238 -5.821 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.806 -0.633 -5.992 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.812 -3.469 -6.239 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.512 -3.263 -5.869 1.00 0.00 H new ATOM 673 N ILE A 49 -1.090 -2.377 -3.319 1.00 0.00 N ATOM 674 CA ILE A 49 -1.474 -2.513 -1.895 1.00 0.00 C ATOM 675 C ILE A 49 -1.300 -1.155 -1.236 1.00 0.00 C ATOM 676 O ILE A 49 -2.147 -0.677 -0.507 1.00 0.00 O ATOM 677 CB ILE A 49 -0.495 -3.516 -1.289 1.00 0.00 C ATOM 678 CG1 ILE A 49 -0.388 -4.751 -2.181 1.00 0.00 C ATOM 679 CG2 ILE A 49 -0.991 -3.929 0.095 1.00 0.00 C ATOM 680 CD1 ILE A 49 -1.786 -5.234 -2.564 1.00 0.00 C ATOM 0 H ILE A 49 -0.266 -2.907 -3.603 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.503 -2.846 -1.762 1.00 0.00 H new ATOM 0 HB ILE A 49 0.488 -3.053 -1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.184 -4.515 -3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.150 -5.542 -1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.295 -4.645 0.532 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.056 -3.049 0.736 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.976 -4.387 0.007 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.705 -6.115 -3.200 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.343 -5.488 -1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.309 -4.444 -3.103 1.00 0.00 H new ATOM 692 N LEU A 50 -0.193 -0.532 -1.512 1.00 0.00 N ATOM 693 CA LEU A 50 0.080 0.809 -0.939 1.00 0.00 C ATOM 694 C LEU A 50 -0.971 1.806 -1.429 1.00 0.00 C ATOM 695 O LEU A 50 -1.161 2.855 -0.845 1.00 0.00 O ATOM 696 CB LEU A 50 1.471 1.186 -1.464 1.00 0.00 C ATOM 697 CG LEU A 50 2.439 0.006 -1.303 1.00 0.00 C ATOM 698 CD1 LEU A 50 3.878 0.523 -1.351 1.00 0.00 C ATOM 699 CD2 LEU A 50 2.200 -0.693 0.040 1.00 0.00 C ATOM 0 H LEU A 50 0.542 -0.899 -2.117 1.00 0.00 H new ATOM 0 HA LEU A 50 0.043 0.815 0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.406 1.471 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.849 2.052 -0.921 1.00 0.00 H new ATOM 0 HG LEU A 50 2.271 -0.705 -2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.569 -0.312 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.057 1.014 -2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.035 1.237 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.892 -1.529 0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.362 0.015 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.176 -1.063 0.080 1.00 0.00 H new ATOM 711 N GLY A 51 -1.665 1.486 -2.489 1.00 0.00 N ATOM 712 CA GLY A 51 -2.706 2.421 -2.995 1.00 0.00 C ATOM 713 C GLY A 51 -4.019 2.129 -2.274 1.00 0.00 C ATOM 714 O GLY A 51 -4.808 3.014 -2.000 1.00 0.00 O ATOM 0 H GLY A 51 -1.556 0.623 -3.022 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.402 3.454 -2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.831 2.301 -4.071 1.00 0.00 H new ATOM 718 N ARG A 52 -4.251 0.887 -1.953 1.00 0.00 N ATOM 719 CA ARG A 52 -5.501 0.517 -1.246 1.00 0.00 C ATOM 720 C ARG A 52 -5.279 0.590 0.258 1.00 0.00 C ATOM 721 O ARG A 52 -6.020 1.230 0.977 1.00 0.00 O ATOM 722 CB ARG A 52 -5.783 -0.918 -1.680 1.00 0.00 C ATOM 723 CG ARG A 52 -7.187 -1.009 -2.277 1.00 0.00 C ATOM 724 CD ARG A 52 -7.656 -2.463 -2.246 1.00 0.00 C ATOM 725 NE ARG A 52 -7.212 -3.040 -3.544 1.00 0.00 N ATOM 726 CZ ARG A 52 -6.602 -4.192 -3.570 1.00 0.00 C ATOM 727 NH1 ARG A 52 -5.328 -4.263 -3.298 1.00 0.00 N ATOM 728 NH2 ARG A 52 -7.267 -5.273 -3.867 1.00 0.00 N ATOM 0 H ARG A 52 -3.622 0.109 -2.153 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.332 1.182 -1.481 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.044 -1.238 -2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.696 -1.590 -0.826 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.876 -0.381 -1.713 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.184 -0.638 -3.302 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.218 -3.001 -1.405 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.739 -2.526 -2.136 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.385 -2.534 -4.413 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.808 -3.417 -3.065 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.852 -5.165 -3.319 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.263 -5.217 -4.079 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.791 -6.175 -3.888 1.00 0.00 H new ATOM 742 N VAL A 53 -4.258 -0.057 0.742 1.00 0.00 N ATOM 743 CA VAL A 53 -3.996 -0.012 2.198 1.00 0.00 C ATOM 744 C VAL A 53 -3.992 1.443 2.662 1.00 0.00 C ATOM 745 O VAL A 53 -4.549 1.776 3.687 1.00 0.00 O ATOM 746 CB VAL A 53 -2.625 -0.660 2.383 1.00 0.00 C ATOM 747 CG1 VAL A 53 -2.067 -0.315 3.766 1.00 0.00 C ATOM 748 CG2 VAL A 53 -2.775 -2.180 2.259 1.00 0.00 C ATOM 0 H VAL A 53 -3.600 -0.611 0.194 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.753 -0.534 2.783 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.940 -0.288 1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.089 -0.781 3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.968 0.767 3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.745 -0.685 4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.802 -2.653 2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.460 -2.542 3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.170 -2.427 1.274 1.00 0.00 H new ATOM 758 N TRP A 54 -3.386 2.318 1.906 1.00 0.00 N ATOM 759 CA TRP A 54 -3.369 3.751 2.307 1.00 0.00 C ATOM 760 C TRP A 54 -4.795 4.295 2.371 1.00 0.00 C ATOM 761 O TRP A 54 -5.234 4.800 3.385 1.00 0.00 O ATOM 762 CB TRP A 54 -2.587 4.484 1.220 1.00 0.00 C ATOM 763 CG TRP A 54 -2.764 5.955 1.421 1.00 0.00 C ATOM 764 CD1 TRP A 54 -3.889 6.648 1.128 1.00 0.00 C ATOM 765 CD2 TRP A 54 -1.821 6.917 1.970 1.00 0.00 C ATOM 766 NE1 TRP A 54 -3.694 7.977 1.460 1.00 0.00 N ATOM 767 CE2 TRP A 54 -2.433 8.193 1.979 1.00 0.00 C ATOM 768 CE3 TRP A 54 -0.507 6.807 2.452 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -1.762 9.322 2.453 1.00 0.00 C ATOM 770 CZ3 TRP A 54 0.173 7.941 2.929 1.00 0.00 C ATOM 771 CH2 TRP A 54 -0.454 9.195 2.928 1.00 0.00 C ATOM 0 H TRP A 54 -2.905 2.103 1.033 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.916 3.883 3.290 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.531 4.219 1.269 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.944 4.191 0.233 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.791 6.232 0.704 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.395 8.707 1.337 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.016 5.845 2.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.250 10.286 2.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.183 7.846 3.298 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.074 10.063 3.294 1.00 0.00 H new ATOM 782 N GLU A 55 -5.518 4.204 1.291 1.00 0.00 N ATOM 783 CA GLU A 55 -6.914 4.729 1.291 1.00 0.00 C ATOM 784 C GLU A 55 -7.657 4.245 2.535 1.00 0.00 C ATOM 785 O GLU A 55 -8.220 5.025 3.278 1.00 0.00 O ATOM 786 CB GLU A 55 -7.557 4.170 0.021 1.00 0.00 C ATOM 787 CG GLU A 55 -6.953 4.860 -1.205 1.00 0.00 C ATOM 788 CD GLU A 55 -7.910 5.943 -1.705 1.00 0.00 C ATOM 789 OE1 GLU A 55 -9.074 5.632 -1.903 1.00 0.00 O ATOM 790 OE2 GLU A 55 -7.464 7.065 -1.881 1.00 0.00 O ATOM 0 H GLU A 55 -5.206 3.791 0.412 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.945 5.818 1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.395 3.094 -0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.635 4.329 0.046 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.990 5.301 -0.949 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.770 4.130 -1.993 1.00 0.00 H new ATOM 797 N LEU A 56 -7.655 2.967 2.774 1.00 0.00 N ATOM 798 CA LEU A 56 -8.352 2.439 3.979 1.00 0.00 C ATOM 799 C LEU A 56 -7.525 2.743 5.232 1.00 0.00 C ATOM 800 O LEU A 56 -7.959 2.526 6.344 1.00 0.00 O ATOM 801 CB LEU A 56 -8.451 0.930 3.756 1.00 0.00 C ATOM 802 CG LEU A 56 -9.100 0.649 2.400 1.00 0.00 C ATOM 803 CD1 LEU A 56 -8.311 -0.447 1.687 1.00 0.00 C ATOM 804 CD2 LEU A 56 -10.547 0.184 2.613 1.00 0.00 C ATOM 0 H LEU A 56 -7.202 2.264 2.189 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.334 2.891 4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.458 0.481 3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.038 0.473 4.552 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.098 1.556 1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.768 -0.653 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.282 -0.118 1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.319 -1.353 2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.011 -0.017 1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.552 -0.725 3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.107 0.963 3.130 1.00 0.00 H new ATOM 816 N SER A 57 -6.331 3.244 5.052 1.00 0.00 N ATOM 817 CA SER A 57 -5.462 3.566 6.222 1.00 0.00 C ATOM 818 C SER A 57 -5.508 5.062 6.533 1.00 0.00 C ATOM 819 O SER A 57 -5.332 5.474 7.662 1.00 0.00 O ATOM 820 CB SER A 57 -4.056 3.168 5.786 1.00 0.00 C ATOM 821 OG SER A 57 -3.908 1.763 5.914 1.00 0.00 O ATOM 0 H SER A 57 -5.919 3.445 4.141 1.00 0.00 H new ATOM 0 HA SER A 57 -5.784 3.044 7.123 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.883 3.471 4.753 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.314 3.681 6.398 1.00 0.00 H new ATOM 0 HG SER A 57 -4.355 1.317 5.165 1.00 0.00 H new ATOM 827 N ASP A 58 -5.732 5.881 5.543 1.00 0.00 N ATOM 828 CA ASP A 58 -5.774 7.348 5.797 1.00 0.00 C ATOM 829 C ASP A 58 -7.184 7.773 6.202 1.00 0.00 C ATOM 830 O ASP A 58 -7.904 8.391 5.442 1.00 0.00 O ATOM 831 CB ASP A 58 -5.368 8.001 4.476 1.00 0.00 C ATOM 832 CG ASP A 58 -4.767 9.381 4.754 1.00 0.00 C ATOM 833 OD1 ASP A 58 -4.813 9.807 5.897 1.00 0.00 O ATOM 834 OD2 ASP A 58 -4.271 9.989 3.820 1.00 0.00 O ATOM 0 H ASP A 58 -5.887 5.600 4.575 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.110 7.643 6.609 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.643 7.375 3.956 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.235 8.095 3.822 1.00 0.00 H new ATOM 839 N ILE A 59 -7.577 7.452 7.403 1.00 0.00 N ATOM 840 CA ILE A 59 -8.935 7.841 7.871 1.00 0.00 C ATOM 841 C ILE A 59 -9.214 9.288 7.466 1.00 0.00 C ATOM 842 O ILE A 59 -10.341 9.675 7.222 1.00 0.00 O ATOM 843 CB ILE A 59 -8.880 7.717 9.394 1.00 0.00 C ATOM 844 CG1 ILE A 59 -8.611 6.261 9.796 1.00 0.00 C ATOM 845 CG2 ILE A 59 -10.208 8.180 9.992 1.00 0.00 C ATOM 846 CD1 ILE A 59 -9.745 5.359 9.301 1.00 0.00 C ATOM 0 H ILE A 59 -7.015 6.937 8.081 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.722 7.220 7.443 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.072 8.343 9.774 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.662 5.929 9.375 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.523 6.185 10.880 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.169 8.092 11.078 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.387 9.220 9.719 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -11.017 7.559 9.606 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.543 4.328 9.592 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -10.687 5.683 9.743 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.813 5.423 8.215 1.00 0.00 H new ATOM 858 N ASP A 60 -8.188 10.089 7.395 1.00 0.00 N ATOM 859 CA ASP A 60 -8.370 11.517 7.009 1.00 0.00 C ATOM 860 C ASP A 60 -8.127 11.687 5.503 1.00 0.00 C ATOM 861 O ASP A 60 -8.585 12.636 4.897 1.00 0.00 O ATOM 862 CB ASP A 60 -7.325 12.271 7.829 1.00 0.00 C ATOM 863 CG ASP A 60 -7.084 13.650 7.218 1.00 0.00 C ATOM 864 OD1 ASP A 60 -8.024 14.210 6.675 1.00 0.00 O ATOM 865 OD2 ASP A 60 -5.963 14.123 7.303 1.00 0.00 O ATOM 0 H ASP A 60 -7.225 9.815 7.589 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.377 11.886 7.202 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -7.664 12.374 8.860 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.393 11.707 7.855 1.00 0.00 H new ATOM 870 N HIS A 61 -7.402 10.776 4.903 1.00 0.00 N ATOM 871 CA HIS A 61 -7.119 10.861 3.440 1.00 0.00 C ATOM 872 C HIS A 61 -6.839 12.306 3.040 1.00 0.00 C ATOM 873 O HIS A 61 -7.491 12.867 2.182 1.00 0.00 O ATOM 874 CB HIS A 61 -8.376 10.325 2.741 1.00 0.00 C ATOM 875 CG HIS A 61 -9.560 11.196 3.061 1.00 0.00 C ATOM 876 ND1 HIS A 61 -9.849 12.345 2.340 1.00 0.00 N ATOM 877 CD2 HIS A 61 -10.542 11.093 4.014 1.00 0.00 C ATOM 878 CE1 HIS A 61 -10.963 12.883 2.867 1.00 0.00 C ATOM 879 NE2 HIS A 61 -11.428 12.160 3.890 1.00 0.00 N ATOM 0 H HIS A 61 -6.990 9.969 5.371 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.238 10.283 3.160 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -8.217 10.296 1.663 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.571 9.302 3.062 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -9.314 12.714 1.554 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -10.616 10.305 4.748 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -11.426 13.790 2.507 1.00 0.00 H new ATOM 887 N ASP A 62 -5.865 12.907 3.657 1.00 0.00 N ATOM 888 CA ASP A 62 -5.522 14.312 3.323 1.00 0.00 C ATOM 889 C ASP A 62 -4.099 14.377 2.759 1.00 0.00 C ATOM 890 O ASP A 62 -3.555 15.439 2.532 1.00 0.00 O ATOM 891 CB ASP A 62 -5.639 15.055 4.657 1.00 0.00 C ATOM 892 CG ASP A 62 -4.347 14.903 5.466 1.00 0.00 C ATOM 893 OD1 ASP A 62 -3.980 13.775 5.754 1.00 0.00 O ATOM 894 OD2 ASP A 62 -3.747 15.916 5.783 1.00 0.00 O ATOM 0 H ASP A 62 -5.288 12.482 4.383 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.170 14.749 2.564 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.841 16.111 4.476 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.481 14.662 5.227 1.00 0.00 H new ATOM 899 N GLY A 63 -3.497 13.240 2.532 1.00 0.00 N ATOM 900 CA GLY A 63 -2.113 13.222 1.984 1.00 0.00 C ATOM 901 C GLY A 63 -1.142 12.746 3.065 1.00 0.00 C ATOM 902 O GLY A 63 0.058 12.749 2.877 1.00 0.00 O ATOM 0 H GLY A 63 -3.907 12.322 2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.062 12.562 1.118 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.833 14.218 1.642 1.00 0.00 H new ATOM 906 N MET A 64 -1.649 12.332 4.199 1.00 0.00 N ATOM 907 CA MET A 64 -0.739 11.857 5.285 1.00 0.00 C ATOM 908 C MET A 64 -1.430 10.799 6.149 1.00 0.00 C ATOM 909 O MET A 64 -2.640 10.692 6.175 1.00 0.00 O ATOM 910 CB MET A 64 -0.417 13.086 6.146 1.00 0.00 C ATOM 911 CG MET A 64 -0.360 14.351 5.289 1.00 0.00 C ATOM 912 SD MET A 64 0.394 15.691 6.244 1.00 0.00 S ATOM 913 CE MET A 64 2.119 15.296 5.866 1.00 0.00 C ATOM 0 H MET A 64 -2.645 12.302 4.419 1.00 0.00 H new ATOM 0 HA MET A 64 0.159 11.405 4.864 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.174 13.201 6.921 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.538 12.941 6.652 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.218 14.165 4.384 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.364 14.635 4.973 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.746 16.162 6.081 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.442 14.454 6.478 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.210 15.035 4.812 1.00 0.00 H new ATOM 923 N LEU A 65 -0.662 10.031 6.875 1.00 0.00 N ATOM 924 CA LEU A 65 -1.255 8.991 7.765 1.00 0.00 C ATOM 925 C LEU A 65 -0.970 9.353 9.227 1.00 0.00 C ATOM 926 O LEU A 65 0.151 9.264 9.685 1.00 0.00 O ATOM 927 CB LEU A 65 -0.533 7.693 7.399 1.00 0.00 C ATOM 928 CG LEU A 65 -1.241 7.014 6.228 1.00 0.00 C ATOM 929 CD1 LEU A 65 -0.610 5.640 5.981 1.00 0.00 C ATOM 930 CD2 LEU A 65 -2.724 6.840 6.559 1.00 0.00 C ATOM 0 H LEU A 65 0.357 10.080 6.890 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.335 8.904 7.644 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.503 7.905 7.135 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.512 7.024 8.259 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.138 7.630 5.334 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.113 5.153 5.146 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.447 5.762 5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.714 5.026 6.875 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.229 6.356 5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.828 6.224 7.452 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.174 7.817 6.738 1.00 0.00 H new ATOM 942 N ASP A 66 -1.965 9.766 9.964 1.00 0.00 N ATOM 943 CA ASP A 66 -1.720 10.133 11.390 1.00 0.00 C ATOM 944 C ASP A 66 -1.406 8.882 12.209 1.00 0.00 C ATOM 945 O ASP A 66 -1.512 7.770 11.735 1.00 0.00 O ATOM 946 CB ASP A 66 -3.017 10.805 11.861 1.00 0.00 C ATOM 947 CG ASP A 66 -3.240 10.570 13.360 1.00 0.00 C ATOM 948 OD1 ASP A 66 -3.844 9.565 13.698 1.00 0.00 O ATOM 949 OD2 ASP A 66 -2.808 11.402 14.142 1.00 0.00 O ATOM 0 H ASP A 66 -2.929 9.865 9.645 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.866 10.799 11.509 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.971 11.875 11.659 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.862 10.410 11.297 1.00 0.00 H new ATOM 954 N ARG A 67 -1.011 9.064 13.433 1.00 0.00 N ATOM 955 CA ARG A 67 -0.677 7.884 14.287 1.00 0.00 C ATOM 956 C ARG A 67 -1.831 6.880 14.297 1.00 0.00 C ATOM 957 O ARG A 67 -1.625 5.683 14.301 1.00 0.00 O ATOM 958 CB ARG A 67 -0.448 8.446 15.688 1.00 0.00 C ATOM 959 CG ARG A 67 -1.670 9.250 16.129 1.00 0.00 C ATOM 960 CD ARG A 67 -1.266 10.205 17.256 1.00 0.00 C ATOM 961 NE ARG A 67 -2.488 10.356 18.093 1.00 0.00 N ATOM 962 CZ ARG A 67 -2.683 11.456 18.768 1.00 0.00 C ATOM 963 NH1 ARG A 67 -1.892 11.763 19.758 1.00 0.00 N ATOM 964 NH2 ARG A 67 -3.668 12.250 18.449 1.00 0.00 N ATOM 0 H ARG A 67 -0.903 9.973 13.883 1.00 0.00 H new ATOM 0 HA ARG A 67 0.199 7.354 13.914 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.263 7.633 16.390 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.438 9.081 15.695 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.073 9.812 15.287 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.458 8.579 16.470 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.437 9.801 17.837 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.938 11.166 16.860 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.172 9.601 18.139 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.120 11.143 20.005 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.045 12.623 20.285 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.285 12.011 17.673 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.821 13.110 18.976 1.00 0.00 H new ATOM 978 N ASP A 68 -3.044 7.356 14.302 1.00 0.00 N ATOM 979 CA ASP A 68 -4.211 6.425 14.308 1.00 0.00 C ATOM 980 C ASP A 68 -4.492 5.941 12.885 1.00 0.00 C ATOM 981 O ASP A 68 -4.859 4.802 12.660 1.00 0.00 O ATOM 982 CB ASP A 68 -5.382 7.256 14.834 1.00 0.00 C ATOM 983 CG ASP A 68 -6.112 6.480 15.933 1.00 0.00 C ATOM 984 OD1 ASP A 68 -5.794 5.317 16.120 1.00 0.00 O ATOM 985 OD2 ASP A 68 -6.975 7.062 16.568 1.00 0.00 O ATOM 0 H ASP A 68 -3.280 8.348 14.302 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.037 5.541 14.922 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.019 8.206 15.226 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.070 7.488 14.021 1.00 0.00 H new ATOM 990 N GLU A 69 -4.299 6.795 11.922 1.00 0.00 N ATOM 991 CA GLU A 69 -4.535 6.387 10.510 1.00 0.00 C ATOM 992 C GLU A 69 -3.397 5.485 10.069 1.00 0.00 C ATOM 993 O GLU A 69 -3.599 4.432 9.497 1.00 0.00 O ATOM 994 CB GLU A 69 -4.524 7.684 9.706 1.00 0.00 C ATOM 995 CG GLU A 69 -5.448 8.700 10.372 1.00 0.00 C ATOM 996 CD GLU A 69 -5.581 9.930 9.473 1.00 0.00 C ATOM 997 OE1 GLU A 69 -5.838 9.753 8.294 1.00 0.00 O ATOM 998 OE2 GLU A 69 -5.420 11.030 9.979 1.00 0.00 O ATOM 0 H GLU A 69 -3.988 7.758 12.050 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.471 5.845 10.376 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.510 8.081 9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.851 7.494 8.684 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.428 8.257 10.548 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.049 8.988 11.345 1.00 0.00 H new ATOM 1005 N PHE A 70 -2.195 5.887 10.355 1.00 0.00 N ATOM 1006 CA PHE A 70 -1.028 5.059 9.983 1.00 0.00 C ATOM 1007 C PHE A 70 -1.173 3.684 10.625 1.00 0.00 C ATOM 1008 O PHE A 70 -0.774 2.683 10.071 1.00 0.00 O ATOM 1009 CB PHE A 70 0.175 5.803 10.558 1.00 0.00 C ATOM 1010 CG PHE A 70 1.444 5.141 10.094 1.00 0.00 C ATOM 1011 CD1 PHE A 70 1.937 5.396 8.810 1.00 0.00 C ATOM 1012 CD2 PHE A 70 2.129 4.267 10.948 1.00 0.00 C ATOM 1013 CE1 PHE A 70 3.115 4.778 8.379 1.00 0.00 C ATOM 1014 CE2 PHE A 70 3.306 3.649 10.517 1.00 0.00 C ATOM 1015 CZ PHE A 70 3.799 3.905 9.232 1.00 0.00 C ATOM 0 H PHE A 70 -1.972 6.760 10.834 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.929 4.910 8.908 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.158 6.845 10.238 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.129 5.803 11.647 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.408 6.070 8.152 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.748 4.071 11.939 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.497 4.975 7.388 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.835 2.975 11.174 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.709 3.428 8.899 1.00 0.00 H new ATOM 1025 N ALA A 71 -1.757 3.629 11.791 1.00 0.00 N ATOM 1026 CA ALA A 71 -1.938 2.314 12.471 1.00 0.00 C ATOM 1027 C ALA A 71 -2.724 1.363 11.569 1.00 0.00 C ATOM 1028 O ALA A 71 -2.338 0.228 11.348 1.00 0.00 O ATOM 1029 CB ALA A 71 -2.737 2.630 13.736 1.00 0.00 C ATOM 0 H ALA A 71 -2.116 4.436 12.302 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.988 1.830 12.698 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.913 1.711 14.295 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.176 3.329 14.356 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.693 3.076 13.461 1.00 0.00 H new ATOM 1035 N VAL A 72 -3.825 1.823 11.048 1.00 0.00 N ATOM 1036 CA VAL A 72 -4.651 0.956 10.159 1.00 0.00 C ATOM 1037 C VAL A 72 -3.833 0.501 8.944 1.00 0.00 C ATOM 1038 O VAL A 72 -4.152 -0.480 8.301 1.00 0.00 O ATOM 1039 CB VAL A 72 -5.818 1.841 9.713 1.00 0.00 C ATOM 1040 CG1 VAL A 72 -6.762 1.028 8.829 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -6.588 2.349 10.937 1.00 0.00 C ATOM 0 H VAL A 72 -4.191 2.763 11.198 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.991 0.054 10.668 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.427 2.692 9.155 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.594 1.656 8.510 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.222 0.670 7.953 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.145 0.177 9.392 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.416 2.978 10.611 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.976 1.501 11.500 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.919 2.931 11.572 1.00 0.00 H new ATOM 1051 N ALA A 73 -2.790 1.214 8.613 1.00 0.00 N ATOM 1052 CA ALA A 73 -1.966 0.829 7.427 1.00 0.00 C ATOM 1053 C ALA A 73 -0.828 -0.118 7.815 1.00 0.00 C ATOM 1054 O ALA A 73 -0.167 -0.678 6.964 1.00 0.00 O ATOM 1055 CB ALA A 73 -1.402 2.146 6.904 1.00 0.00 C ATOM 0 H ALA A 73 -2.472 2.046 9.111 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.560 0.298 6.683 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.781 1.954 6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.222 2.809 6.629 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.799 2.617 7.680 1.00 0.00 H new ATOM 1061 N MET A 74 -0.588 -0.312 9.081 1.00 0.00 N ATOM 1062 CA MET A 74 0.517 -1.236 9.471 1.00 0.00 C ATOM 1063 C MET A 74 0.006 -2.671 9.502 1.00 0.00 C ATOM 1064 O MET A 74 0.668 -3.582 9.048 1.00 0.00 O ATOM 1065 CB MET A 74 0.976 -0.787 10.861 1.00 0.00 C ATOM 1066 CG MET A 74 0.990 0.746 10.963 1.00 0.00 C ATOM 1067 SD MET A 74 1.572 1.496 9.414 1.00 0.00 S ATOM 1068 CE MET A 74 3.000 0.424 9.136 1.00 0.00 C ATOM 0 H MET A 74 -1.098 0.120 9.852 1.00 0.00 H new ATOM 0 HA MET A 74 1.343 -1.205 8.761 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.311 -1.200 11.619 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.973 -1.178 11.064 1.00 0.00 H new ATOM 0 HG2 MET A 74 -0.012 1.108 11.192 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.636 1.053 11.785 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.823 1.012 8.730 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.306 -0.026 10.080 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.733 -0.362 8.429 1.00 0.00 H new ATOM 1078 N PHE A 75 -1.173 -2.885 10.007 1.00 0.00 N ATOM 1079 CA PHE A 75 -1.709 -4.271 10.021 1.00 0.00 C ATOM 1080 C PHE A 75 -2.200 -4.602 8.607 1.00 0.00 C ATOM 1081 O PHE A 75 -2.218 -5.743 8.188 1.00 0.00 O ATOM 1082 CB PHE A 75 -2.849 -4.261 11.051 1.00 0.00 C ATOM 1083 CG PHE A 75 -4.148 -3.894 10.383 1.00 0.00 C ATOM 1084 CD1 PHE A 75 -4.940 -4.893 9.810 1.00 0.00 C ATOM 1085 CD2 PHE A 75 -4.549 -2.558 10.324 1.00 0.00 C ATOM 1086 CE1 PHE A 75 -6.137 -4.556 9.174 1.00 0.00 C ATOM 1087 CE2 PHE A 75 -5.745 -2.218 9.693 1.00 0.00 C ATOM 1088 CZ PHE A 75 -6.540 -3.218 9.114 1.00 0.00 C ATOM 0 H PHE A 75 -1.782 -2.171 10.406 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.974 -5.028 10.295 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.936 -5.242 11.518 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.626 -3.549 11.845 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.626 -5.925 9.859 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.934 -1.789 10.767 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.750 -5.326 8.730 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.059 -1.186 9.650 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.464 -2.955 8.621 1.00 0.00 H new ATOM 1098 N LEU A 76 -2.566 -3.589 7.863 1.00 0.00 N ATOM 1099 CA LEU A 76 -3.023 -3.803 6.463 1.00 0.00 C ATOM 1100 C LEU A 76 -1.826 -4.218 5.608 1.00 0.00 C ATOM 1101 O LEU A 76 -1.951 -4.954 4.650 1.00 0.00 O ATOM 1102 CB LEU A 76 -3.565 -2.444 6.016 1.00 0.00 C ATOM 1103 CG LEU A 76 -5.085 -2.414 6.188 1.00 0.00 C ATOM 1104 CD1 LEU A 76 -5.614 -1.022 5.833 1.00 0.00 C ATOM 1105 CD2 LEU A 76 -5.723 -3.452 5.262 1.00 0.00 C ATOM 0 H LEU A 76 -2.567 -2.617 8.171 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.778 -4.584 6.371 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.107 -1.648 6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.303 -2.262 4.974 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.337 -2.645 7.223 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.697 -1.002 5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.160 -0.281 6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.362 -0.790 4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.806 -3.431 5.384 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.470 -3.221 4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.348 -4.444 5.514 1.00 0.00 H new ATOM 1117 N VAL A 77 -0.664 -3.744 5.960 1.00 0.00 N ATOM 1118 CA VAL A 77 0.559 -4.096 5.187 1.00 0.00 C ATOM 1119 C VAL A 77 1.216 -5.344 5.772 1.00 0.00 C ATOM 1120 O VAL A 77 2.000 -6.002 5.121 1.00 0.00 O ATOM 1121 CB VAL A 77 1.474 -2.881 5.346 1.00 0.00 C ATOM 1122 CG1 VAL A 77 2.861 -3.207 4.787 1.00 0.00 C ATOM 1123 CG2 VAL A 77 0.882 -1.693 4.584 1.00 0.00 C ATOM 0 H VAL A 77 -0.508 -3.124 6.755 1.00 0.00 H new ATOM 0 HA VAL A 77 0.344 -4.318 4.142 1.00 0.00 H new ATOM 0 HB VAL A 77 1.560 -2.628 6.403 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.512 -2.340 4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.283 -4.052 5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.777 -3.461 3.730 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.534 -0.827 4.697 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.794 -1.946 3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.105 -1.459 4.984 1.00 0.00 H new ATOM 1133 N TYR A 78 0.902 -5.676 6.992 1.00 0.00 N ATOM 1134 CA TYR A 78 1.511 -6.887 7.609 1.00 0.00 C ATOM 1135 C TYR A 78 0.631 -8.106 7.332 1.00 0.00 C ATOM 1136 O TYR A 78 1.074 -9.235 7.400 1.00 0.00 O ATOM 1137 CB TYR A 78 1.572 -6.584 9.104 1.00 0.00 C ATOM 1138 CG TYR A 78 2.998 -6.273 9.484 1.00 0.00 C ATOM 1139 CD1 TYR A 78 4.029 -7.131 9.084 1.00 0.00 C ATOM 1140 CD2 TYR A 78 3.290 -5.125 10.232 1.00 0.00 C ATOM 1141 CE1 TYR A 78 5.354 -6.840 9.431 1.00 0.00 C ATOM 1142 CE2 TYR A 78 4.615 -4.835 10.578 1.00 0.00 C ATOM 1143 CZ TYR A 78 5.647 -5.693 10.179 1.00 0.00 C ATOM 1144 OH TYR A 78 6.953 -5.407 10.520 1.00 0.00 O ATOM 0 H TYR A 78 0.252 -5.163 7.588 1.00 0.00 H new ATOM 0 HA TYR A 78 2.499 -7.111 7.207 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.926 -5.740 9.344 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.207 -7.437 9.676 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.803 -8.016 8.508 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.494 -4.464 10.541 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.150 -7.501 9.122 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.841 -3.949 11.153 1.00 0.00 H new ATOM 0 HH TYR A 78 6.981 -4.575 11.038 1.00 0.00 H new ATOM 1154 N CYS A 79 -0.612 -7.880 7.012 1.00 0.00 N ATOM 1155 CA CYS A 79 -1.526 -9.020 6.720 1.00 0.00 C ATOM 1156 C CYS A 79 -1.431 -9.391 5.239 1.00 0.00 C ATOM 1157 O CYS A 79 -1.837 -10.461 4.830 1.00 0.00 O ATOM 1158 CB CYS A 79 -2.926 -8.506 7.058 1.00 0.00 C ATOM 1159 SG CYS A 79 -3.437 -9.163 8.665 1.00 0.00 S ATOM 0 H CYS A 79 -1.035 -6.955 6.940 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.276 -9.913 7.293 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.929 -7.416 7.081 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.633 -8.811 6.287 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.626 -8.725 8.955 1.00 0.00 H new ATOM 1165 N ALA A 80 -0.884 -8.518 4.433 1.00 0.00 N ATOM 1166 CA ALA A 80 -0.752 -8.824 2.981 1.00 0.00 C ATOM 1167 C ALA A 80 0.524 -9.626 2.743 1.00 0.00 C ATOM 1168 O ALA A 80 0.737 -10.184 1.685 1.00 0.00 O ATOM 1169 CB ALA A 80 -0.668 -7.463 2.289 1.00 0.00 C ATOM 0 H ALA A 80 -0.524 -7.608 4.719 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.585 -9.415 2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.569 -7.607 1.213 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.573 -6.893 2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.198 -6.917 2.663 1.00 0.00 H new ATOM 1175 N LEU A 81 1.371 -9.689 3.728 1.00 0.00 N ATOM 1176 CA LEU A 81 2.636 -10.456 3.580 1.00 0.00 C ATOM 1177 C LEU A 81 2.397 -11.904 3.976 1.00 0.00 C ATOM 1178 O LEU A 81 2.838 -12.825 3.318 1.00 0.00 O ATOM 1179 CB LEU A 81 3.616 -9.788 4.546 1.00 0.00 C ATOM 1180 CG LEU A 81 3.465 -8.265 4.479 1.00 0.00 C ATOM 1181 CD1 LEU A 81 4.758 -7.603 4.959 1.00 0.00 C ATOM 1182 CD2 LEU A 81 3.173 -7.832 3.039 1.00 0.00 C ATOM 0 H LEU A 81 1.241 -9.240 4.635 1.00 0.00 H new ATOM 0 HA LEU A 81 3.015 -10.456 2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.431 -10.135 5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.638 -10.071 4.294 1.00 0.00 H new ATOM 0 HG LEU A 81 2.638 -7.959 5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.651 -6.519 4.912 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.960 -7.903 5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.585 -7.914 4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.067 -6.748 2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.995 -8.140 2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.249 -8.300 2.699 1.00 0.00 H new ATOM 1194 N GLU A 82 1.687 -12.109 5.043 1.00 0.00 N ATOM 1195 CA GLU A 82 1.404 -13.497 5.480 1.00 0.00 C ATOM 1196 C GLU A 82 0.449 -14.154 4.486 1.00 0.00 C ATOM 1197 O GLU A 82 0.711 -15.224 3.974 1.00 0.00 O ATOM 1198 CB GLU A 82 0.751 -13.362 6.858 1.00 0.00 C ATOM 1199 CG GLU A 82 -0.018 -14.643 7.190 1.00 0.00 C ATOM 1200 CD GLU A 82 0.327 -15.098 8.610 1.00 0.00 C ATOM 1201 OE1 GLU A 82 1.302 -14.603 9.151 1.00 0.00 O ATOM 1202 OE2 GLU A 82 -0.391 -15.936 9.132 1.00 0.00 O ATOM 0 H GLU A 82 1.290 -11.376 5.631 1.00 0.00 H new ATOM 0 HA GLU A 82 2.300 -14.116 5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.512 -13.176 7.616 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.075 -12.507 6.869 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.090 -14.467 7.104 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.235 -15.426 6.475 1.00 0.00 H new ATOM 1209 N LYS A 83 -0.652 -13.518 4.200 1.00 0.00 N ATOM 1210 CA LYS A 83 -1.611 -14.118 3.229 1.00 0.00 C ATOM 1211 C LYS A 83 -2.866 -13.252 3.068 1.00 0.00 C ATOM 1212 O LYS A 83 -3.529 -13.294 2.051 1.00 0.00 O ATOM 1213 CB LYS A 83 -1.975 -15.476 3.823 1.00 0.00 C ATOM 1214 CG LYS A 83 -1.950 -16.537 2.721 1.00 0.00 C ATOM 1215 CD LYS A 83 -1.948 -17.930 3.350 1.00 0.00 C ATOM 1216 CE LYS A 83 -1.289 -18.922 2.389 1.00 0.00 C ATOM 1217 NZ LYS A 83 0.169 -18.821 2.676 1.00 0.00 N ATOM 0 H LYS A 83 -0.929 -12.618 4.591 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.171 -14.200 2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.272 -15.740 4.613 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.964 -15.432 4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.818 -16.422 2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.065 -16.407 2.097 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.409 -17.912 4.297 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.969 -18.243 3.570 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.655 -19.935 2.554 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.506 -18.670 1.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.706 -19.266 1.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.439 -17.820 2.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.381 -19.306 3.571 1.00 0.00 H new ATOM 1231 N GLU A 84 -3.214 -12.488 4.067 1.00 0.00 N ATOM 1232 CA GLU A 84 -4.448 -11.648 3.966 1.00 0.00 C ATOM 1233 C GLU A 84 -4.200 -10.397 3.117 1.00 0.00 C ATOM 1234 O GLU A 84 -3.486 -9.503 3.522 1.00 0.00 O ATOM 1235 CB GLU A 84 -4.781 -11.257 5.407 1.00 0.00 C ATOM 1236 CG GLU A 84 -5.384 -12.460 6.138 1.00 0.00 C ATOM 1237 CD GLU A 84 -6.865 -12.586 5.777 1.00 0.00 C ATOM 1238 OE1 GLU A 84 -7.674 -11.955 6.438 1.00 0.00 O ATOM 1239 OE2 GLU A 84 -7.167 -13.314 4.845 1.00 0.00 O ATOM 0 H GLU A 84 -2.702 -12.407 4.946 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.262 -12.189 3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.881 -10.920 5.921 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.483 -10.424 5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.853 -13.371 5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.270 -12.339 7.215 1.00 0.00 H new ATOM 1246 N PRO A 85 -4.820 -10.372 1.968 1.00 0.00 N ATOM 1247 CA PRO A 85 -4.679 -9.215 1.051 1.00 0.00 C ATOM 1248 C PRO A 85 -5.419 -8.000 1.618 1.00 0.00 C ATOM 1249 O PRO A 85 -5.815 -7.984 2.766 1.00 0.00 O ATOM 1250 CB PRO A 85 -5.333 -9.698 -0.242 1.00 0.00 C ATOM 1251 CG PRO A 85 -6.289 -10.765 0.186 1.00 0.00 C ATOM 1252 CD PRO A 85 -5.706 -11.406 1.418 1.00 0.00 C ATOM 0 HA PRO A 85 -3.645 -8.904 0.905 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -5.851 -8.885 -0.751 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.591 -10.089 -0.938 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -7.271 -10.341 0.399 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -6.425 -11.502 -0.605 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.483 -11.686 2.129 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.156 -12.315 1.173 1.00 0.00 H new ATOM 1260 N VAL A 86 -5.604 -6.985 0.824 1.00 0.00 N ATOM 1261 CA VAL A 86 -6.315 -5.771 1.320 1.00 0.00 C ATOM 1262 C VAL A 86 -7.426 -5.364 0.347 1.00 0.00 C ATOM 1263 O VAL A 86 -7.219 -5.332 -0.849 1.00 0.00 O ATOM 1264 CB VAL A 86 -5.240 -4.685 1.379 1.00 0.00 C ATOM 1265 CG1 VAL A 86 -5.894 -3.329 1.655 1.00 0.00 C ATOM 1266 CG2 VAL A 86 -4.247 -5.010 2.496 1.00 0.00 C ATOM 0 H VAL A 86 -5.295 -6.941 -0.147 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.788 -5.940 2.287 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.714 -4.645 0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.126 -2.556 1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.600 -3.096 0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.422 -3.367 2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.481 -4.236 2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.773 -5.052 3.450 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.779 -5.974 2.297 1.00 0.00 H new ATOM 1276 N PRO A 87 -8.570 -5.056 0.898 1.00 0.00 N ATOM 1277 CA PRO A 87 -9.717 -4.636 0.081 1.00 0.00 C ATOM 1278 C PRO A 87 -9.663 -3.124 -0.122 1.00 0.00 C ATOM 1279 O PRO A 87 -8.651 -2.497 0.119 1.00 0.00 O ATOM 1280 CB PRO A 87 -10.917 -5.035 0.933 1.00 0.00 C ATOM 1281 CG PRO A 87 -10.419 -5.066 2.349 1.00 0.00 C ATOM 1282 CD PRO A 87 -8.907 -5.065 2.321 1.00 0.00 C ATOM 0 HA PRO A 87 -9.746 -5.084 -0.912 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -11.732 -4.320 0.820 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.304 -6.009 0.633 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -10.789 -4.202 2.901 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -10.789 -5.954 2.862 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.501 -4.192 2.831 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.500 -5.944 2.820 1.00 0.00 H new ATOM 1290 N MET A 88 -10.730 -2.532 -0.563 1.00 0.00 N ATOM 1291 CA MET A 88 -10.715 -1.055 -0.777 1.00 0.00 C ATOM 1292 C MET A 88 -11.887 -0.403 -0.064 1.00 0.00 C ATOM 1293 O MET A 88 -12.192 0.753 -0.281 1.00 0.00 O ATOM 1294 CB MET A 88 -10.875 -0.801 -2.277 1.00 0.00 C ATOM 1295 CG MET A 88 -11.073 -2.104 -3.071 1.00 0.00 C ATOM 1296 SD MET A 88 -12.811 -2.603 -2.989 1.00 0.00 S ATOM 1297 CE MET A 88 -13.249 -2.168 -4.690 1.00 0.00 C ATOM 0 H MET A 88 -11.610 -2.998 -0.785 1.00 0.00 H new ATOM 0 HA MET A 88 -9.784 -0.641 -0.391 1.00 0.00 H new ATOM 0 HB2 MET A 88 -11.728 -0.143 -2.443 1.00 0.00 H new ATOM 0 HB3 MET A 88 -9.994 -0.280 -2.651 1.00 0.00 H new ATOM 0 HG2 MET A 88 -10.774 -1.959 -4.109 1.00 0.00 H new ATOM 0 HG3 MET A 88 -10.438 -2.891 -2.663 1.00 0.00 H new ATOM 0 HE1 MET A 88 -14.300 -2.397 -4.865 1.00 0.00 H new ATOM 0 HE2 MET A 88 -13.078 -1.103 -4.849 1.00 0.00 H new ATOM 0 HE3 MET A 88 -12.633 -2.742 -5.382 1.00 0.00 H new ATOM 1307 N SER A 89 -12.564 -1.129 0.764 1.00 0.00 N ATOM 1308 CA SER A 89 -13.733 -0.528 1.455 1.00 0.00 C ATOM 1309 C SER A 89 -13.515 -0.455 2.956 1.00 0.00 C ATOM 1310 O SER A 89 -13.800 -1.381 3.685 1.00 0.00 O ATOM 1311 CB SER A 89 -14.894 -1.449 1.155 1.00 0.00 C ATOM 1312 OG SER A 89 -15.228 -1.359 -0.224 1.00 0.00 O ATOM 0 H SER A 89 -12.366 -2.103 0.994 1.00 0.00 H new ATOM 0 HA SER A 89 -13.905 0.492 1.112 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.632 -2.476 1.410 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.754 -1.178 1.767 1.00 0.00 H new ATOM 0 HG SER A 89 -15.979 -1.957 -0.418 1.00 0.00 H new ATOM 1318 N LEU A 90 -13.034 0.652 3.415 1.00 0.00 N ATOM 1319 CA LEU A 90 -12.811 0.818 4.880 1.00 0.00 C ATOM 1320 C LEU A 90 -14.124 0.582 5.628 1.00 0.00 C ATOM 1321 O LEU A 90 -15.018 1.402 5.579 1.00 0.00 O ATOM 1322 CB LEU A 90 -12.355 2.268 5.049 1.00 0.00 C ATOM 1323 CG LEU A 90 -11.021 2.302 5.794 1.00 0.00 C ATOM 1324 CD1 LEU A 90 -10.569 3.753 5.962 1.00 0.00 C ATOM 1325 CD2 LEU A 90 -11.190 1.658 7.172 1.00 0.00 C ATOM 0 H LEU A 90 -12.782 1.458 2.843 1.00 0.00 H new ATOM 0 HA LEU A 90 -12.079 0.114 5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -12.251 2.743 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -13.106 2.834 5.601 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.272 1.751 5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.618 3.779 6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.449 4.213 4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -11.318 4.304 6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.239 1.682 7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -11.938 2.209 7.742 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.513 0.624 7.053 1.00 0.00 H new ATOM 1337 N PRO A 91 -14.204 -0.538 6.294 1.00 0.00 N ATOM 1338 CA PRO A 91 -15.427 -0.879 7.046 1.00 0.00 C ATOM 1339 C PRO A 91 -15.430 -0.187 8.414 1.00 0.00 C ATOM 1340 O PRO A 91 -14.464 0.444 8.795 1.00 0.00 O ATOM 1341 CB PRO A 91 -15.349 -2.396 7.184 1.00 0.00 C ATOM 1342 CG PRO A 91 -13.894 -2.742 7.069 1.00 0.00 C ATOM 1343 CD PRO A 91 -13.180 -1.582 6.410 1.00 0.00 C ATOM 0 HA PRO A 91 -16.343 -0.553 6.552 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -15.754 -2.723 8.142 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -15.931 -2.890 6.406 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -13.471 -2.938 8.054 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -13.765 -3.651 6.481 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -12.335 -1.244 7.010 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -12.786 -1.862 5.433 1.00 0.00 H new ATOM 1351 N PRO A 92 -16.535 -0.320 9.095 1.00 0.00 N ATOM 1352 CA PRO A 92 -16.702 0.308 10.433 1.00 0.00 C ATOM 1353 C PRO A 92 -15.848 -0.394 11.490 1.00 0.00 C ATOM 1354 O PRO A 92 -15.773 0.033 12.624 1.00 0.00 O ATOM 1355 CB PRO A 92 -18.182 0.107 10.735 1.00 0.00 C ATOM 1356 CG PRO A 92 -18.585 -1.078 9.922 1.00 0.00 C ATOM 1357 CD PRO A 92 -17.727 -1.068 8.686 1.00 0.00 C ATOM 0 HA PRO A 92 -16.392 1.353 10.444 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -18.348 -0.069 11.798 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -18.763 0.988 10.463 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -18.441 -2.000 10.485 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -19.642 -1.026 9.660 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -17.475 -2.079 8.366 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -18.235 -0.586 7.850 1.00 0.00 H new ATOM 1365 N ALA A 93 -15.205 -1.464 11.130 1.00 0.00 N ATOM 1366 CA ALA A 93 -14.360 -2.190 12.117 1.00 0.00 C ATOM 1367 C ALA A 93 -12.982 -1.541 12.191 1.00 0.00 C ATOM 1368 O ALA A 93 -12.119 -1.973 12.930 1.00 0.00 O ATOM 1369 CB ALA A 93 -14.254 -3.616 11.577 1.00 0.00 C ATOM 0 H ALA A 93 -15.227 -1.870 10.194 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.781 -2.170 13.122 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.644 -4.216 12.252 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.250 -4.052 11.504 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -13.792 -3.598 10.590 1.00 0.00 H new ATOM 1375 N LEU A 94 -12.762 -0.507 11.428 1.00 0.00 N ATOM 1376 CA LEU A 94 -11.433 0.160 11.457 1.00 0.00 C ATOM 1377 C LEU A 94 -11.583 1.682 11.430 1.00 0.00 C ATOM 1378 O LEU A 94 -10.747 2.382 10.895 1.00 0.00 O ATOM 1379 CB LEU A 94 -10.729 -0.308 10.189 1.00 0.00 C ATOM 1380 CG LEU A 94 -10.636 -1.829 10.190 1.00 0.00 C ATOM 1381 CD1 LEU A 94 -11.489 -2.387 9.055 1.00 0.00 C ATOM 1382 CD2 LEU A 94 -9.181 -2.244 9.982 1.00 0.00 C ATOM 0 H LEU A 94 -13.443 -0.097 10.788 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.881 -0.090 12.363 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -11.276 0.033 9.310 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.731 0.128 10.132 1.00 0.00 H new ATOM 0 HG LEU A 94 -10.995 -2.219 11.142 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -11.425 -3.475 9.053 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -12.527 -2.085 9.197 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -11.126 -2.000 8.103 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.109 -3.332 9.982 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.825 -1.857 9.027 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.569 -1.840 10.788 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.637 2.207 11.987 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.813 3.687 11.961 1.00 0.00 C ATOM 1396 C VAL A 95 -12.610 4.281 13.358 1.00 0.00 C ATOM 1397 O VAL A 95 -13.380 4.021 14.261 1.00 0.00 O ATOM 1398 CB VAL A 95 -14.247 3.910 11.484 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -14.409 5.363 11.037 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -14.543 2.982 10.304 1.00 0.00 C ATOM 0 H VAL A 95 -13.377 1.684 12.454 1.00 0.00 H new ATOM 0 HA VAL A 95 -12.086 4.172 11.309 1.00 0.00 H new ATOM 0 HB VAL A 95 -14.940 3.696 12.298 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -15.431 5.527 10.696 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -14.195 6.027 11.874 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -13.716 5.572 10.222 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -15.566 3.141 9.964 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.852 3.198 9.489 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.422 1.945 10.617 1.00 0.00 H new ATOM 1410 N PRO A 96 -11.578 5.074 13.483 1.00 0.00 N ATOM 1411 CA PRO A 96 -11.272 5.730 14.782 1.00 0.00 C ATOM 1412 C PRO A 96 -12.329 6.795 15.095 1.00 0.00 C ATOM 1413 O PRO A 96 -13.203 7.053 14.291 1.00 0.00 O ATOM 1414 CB PRO A 96 -9.903 6.365 14.546 1.00 0.00 C ATOM 1415 CG PRO A 96 -9.821 6.557 13.066 1.00 0.00 C ATOM 1416 CD PRO A 96 -10.609 5.436 12.443 1.00 0.00 C ATOM 0 HA PRO A 96 -11.273 5.043 15.628 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -9.811 7.314 15.074 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -9.101 5.721 14.906 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -10.230 7.525 12.778 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.785 6.536 12.729 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -11.105 5.756 11.527 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -9.969 4.594 12.181 1.00 0.00 H new ATOM 1424 N PRO A 97 -12.215 7.377 16.260 1.00 0.00 N ATOM 1425 CA PRO A 97 -13.178 8.423 16.684 1.00 0.00 C ATOM 1426 C PRO A 97 -12.957 9.718 15.898 1.00 0.00 C ATOM 1427 O PRO A 97 -13.678 10.682 16.061 1.00 0.00 O ATOM 1428 CB PRO A 97 -12.866 8.619 18.165 1.00 0.00 C ATOM 1429 CG PRO A 97 -11.445 8.182 18.320 1.00 0.00 C ATOM 1430 CD PRO A 97 -11.192 7.122 17.279 1.00 0.00 C ATOM 0 HA PRO A 97 -14.216 8.143 16.506 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -12.994 9.660 18.461 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.532 8.026 18.791 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -10.766 9.024 18.185 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -11.270 7.788 19.321 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.187 7.201 16.865 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -11.286 6.120 17.698 1.00 0.00 H new ATOM 1438 N SER A 98 -11.972 9.749 15.041 1.00 0.00 N ATOM 1439 CA SER A 98 -11.723 10.986 14.246 1.00 0.00 C ATOM 1440 C SER A 98 -12.708 11.056 13.080 1.00 0.00 C ATOM 1441 O SER A 98 -13.015 12.118 12.574 1.00 0.00 O ATOM 1442 CB SER A 98 -10.289 10.856 13.735 1.00 0.00 C ATOM 1443 OG SER A 98 -9.793 12.144 13.389 1.00 0.00 O ATOM 0 H SER A 98 -11.332 8.976 14.858 1.00 0.00 H new ATOM 0 HA SER A 98 -11.856 11.893 14.836 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.658 10.404 14.500 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.259 10.197 12.867 1.00 0.00 H new ATOM 0 HG SER A 98 -8.873 12.063 13.062 1.00 0.00 H new ATOM 1449 N LYS A 99 -13.213 9.932 12.659 1.00 0.00 N ATOM 1450 CA LYS A 99 -14.187 9.927 11.536 1.00 0.00 C ATOM 1451 C LYS A 99 -15.607 10.064 12.089 1.00 0.00 C ATOM 1452 O LYS A 99 -16.578 9.992 11.361 1.00 0.00 O ATOM 1453 CB LYS A 99 -14.000 8.570 10.858 1.00 0.00 C ATOM 1454 CG LYS A 99 -14.584 8.615 9.446 1.00 0.00 C ATOM 1455 CD LYS A 99 -13.446 8.637 8.425 1.00 0.00 C ATOM 1456 CE LYS A 99 -13.966 8.152 7.070 1.00 0.00 C ATOM 1457 NZ LYS A 99 -12.750 7.719 6.325 1.00 0.00 N ATOM 0 H LYS A 99 -12.992 9.014 13.046 1.00 0.00 H new ATOM 0 HA LYS A 99 -14.031 10.750 10.839 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.941 8.317 10.816 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.491 7.791 11.441 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -15.222 7.748 9.277 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -15.210 9.499 9.328 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.046 9.647 8.333 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -12.629 8.000 8.762 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -14.670 7.329 7.189 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.491 8.947 6.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.924 7.794 5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.948 8.328 6.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.528 6.732 6.567 1.00 0.00 H new ATOM 1471 N ARG A 100 -15.736 10.264 13.374 1.00 0.00 N ATOM 1472 CA ARG A 100 -17.096 10.406 13.973 1.00 0.00 C ATOM 1473 C ARG A 100 -17.814 11.621 13.376 1.00 0.00 C ATOM 1474 O ARG A 100 -17.206 12.461 12.742 1.00 0.00 O ATOM 1475 CB ARG A 100 -16.852 10.604 15.470 1.00 0.00 C ATOM 1476 CG ARG A 100 -16.137 9.375 16.037 1.00 0.00 C ATOM 1477 CD ARG A 100 -17.166 8.411 16.632 1.00 0.00 C ATOM 1478 NE ARG A 100 -17.129 7.210 15.749 1.00 0.00 N ATOM 1479 CZ ARG A 100 -16.761 6.054 16.232 1.00 0.00 C ATOM 1480 NH1 ARG A 100 -17.230 5.646 17.381 1.00 0.00 N ATOM 1481 NH2 ARG A 100 -15.928 5.304 15.564 1.00 0.00 N ATOM 0 H ARG A 100 -14.961 10.335 14.033 1.00 0.00 H new ATOM 0 HA ARG A 100 -17.727 9.539 13.776 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -16.250 11.497 15.636 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -17.799 10.757 15.987 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -15.569 8.877 15.251 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -15.423 9.678 16.802 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -16.915 8.152 17.661 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -18.160 8.857 16.649 1.00 0.00 H new ATOM 0 HE ARG A 100 -17.391 7.292 14.767 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -17.884 6.231 17.901 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -16.942 4.743 17.758 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -15.565 5.621 14.665 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -15.640 4.401 15.941 1.00 0.00 H new TER 1495 ARG A 100 HETATM 1496 CA CA A 107 -4.199 11.945 7.625 1.00 12.07 CA