USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=16 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 180:sc= -1.85! USER MOD Set 1.2: A 64 MET CE :methyl -146:sc= -0.647 (180deg=-2.16!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -122:sc= 0.835 (180deg=-1.6!) USER MOD Single : A 16 LYS NZ :NH3+ 142:sc= 1.18 (180deg=0.224) USER MOD Single : A 17 TYR OH : rot 90:sc= -2.29! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.86! C(o=-1.9!,f=-1.7!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 156:sc= -0.0642 (180deg=-1.3!) USER MOD Single : A 42 ASN : amide:sc= -8.41! C(o=-8.4!,f=-2.9!) USER MOD Single : A 43 SER OG : rot -96:sc= -0.22! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 53:sc= -6.89! USER MOD Single : A 61 HIS : no HD1:sc= -4.77! C(o=-4.8!,f=-3.6!) USER MOD Single : A 74 MET CE :methyl -135:sc= -2.17 (180deg=-5.22!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= -1.23 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 177:sc= 0 (180deg=-0.0176) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 6 -15.458 -2.957 18.617 1.00 0.00 N ATOM 2 CA PRO A 6 -14.159 -2.329 18.952 1.00 0.00 C ATOM 3 C PRO A 6 -13.460 -1.835 17.681 1.00 0.00 C ATOM 4 O PRO A 6 -14.045 -1.785 16.618 1.00 0.00 O ATOM 5 CB PRO A 6 -13.370 -3.462 19.600 1.00 0.00 C ATOM 6 CG PRO A 6 -13.967 -4.723 19.054 1.00 0.00 C ATOM 7 CD PRO A 6 -15.394 -4.422 18.663 1.00 0.00 C ATOM 0 HA PRO A 6 -14.258 -1.459 19.602 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.310 -3.392 19.357 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.451 -3.427 20.686 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.400 -5.073 18.192 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.934 -5.517 19.801 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -15.642 -4.861 17.697 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -16.099 -4.828 19.388 1.00 0.00 H new ATOM 15 N TRP A 7 -12.212 -1.469 17.788 1.00 0.00 N ATOM 16 CA TRP A 7 -11.469 -0.976 16.591 1.00 0.00 C ATOM 17 C TRP A 7 -10.627 -2.108 15.992 1.00 0.00 C ATOM 18 O TRP A 7 -9.933 -2.818 16.694 1.00 0.00 O ATOM 19 CB TRP A 7 -10.573 0.144 17.122 1.00 0.00 C ATOM 20 CG TRP A 7 -9.662 0.618 16.035 1.00 0.00 C ATOM 21 CD1 TRP A 7 -9.982 0.678 14.721 1.00 0.00 C ATOM 22 CD2 TRP A 7 -8.292 1.100 16.145 1.00 0.00 C ATOM 23 NE1 TRP A 7 -8.895 1.166 14.019 1.00 0.00 N ATOM 24 CE2 TRP A 7 -7.829 1.442 14.853 1.00 0.00 C ATOM 25 CE3 TRP A 7 -7.415 1.274 17.231 1.00 0.00 C ATOM 26 CZ2 TRP A 7 -6.541 1.938 14.646 1.00 0.00 C ATOM 27 CZ3 TRP A 7 -6.119 1.772 17.026 1.00 0.00 C ATOM 28 CH2 TRP A 7 -5.683 2.103 15.735 1.00 0.00 C ATOM 0 H TRP A 7 -11.673 -1.490 18.654 1.00 0.00 H new ATOM 0 HA TRP A 7 -12.133 -0.625 15.801 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -11.184 0.971 17.484 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -9.988 -0.215 17.969 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -10.931 0.392 14.291 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -8.882 1.305 13.009 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -7.741 1.023 18.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.210 2.193 13.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.454 1.901 17.867 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -4.684 2.485 15.583 1.00 0.00 H new ATOM 39 N ALA A 8 -10.691 -2.283 14.702 1.00 0.00 N ATOM 40 CA ALA A 8 -9.905 -3.371 14.048 1.00 0.00 C ATOM 41 C ALA A 8 -8.505 -3.471 14.655 1.00 0.00 C ATOM 42 O ALA A 8 -7.941 -4.542 14.762 1.00 0.00 O ATOM 43 CB ALA A 8 -9.812 -2.965 12.580 1.00 0.00 C ATOM 0 H ALA A 8 -11.256 -1.718 14.068 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.376 -4.345 14.181 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.247 -3.717 12.030 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.815 -2.886 12.160 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.308 -2.002 12.500 1.00 0.00 H new ATOM 49 N VAL A 9 -7.938 -2.367 15.042 1.00 0.00 N ATOM 50 CA VAL A 9 -6.569 -2.403 15.633 1.00 0.00 C ATOM 51 C VAL A 9 -6.630 -2.124 17.137 1.00 0.00 C ATOM 52 O VAL A 9 -7.396 -1.300 17.597 1.00 0.00 O ATOM 53 CB VAL A 9 -5.798 -1.306 14.897 1.00 0.00 C ATOM 54 CG1 VAL A 9 -4.437 -1.089 15.564 1.00 0.00 C ATOM 55 CG2 VAL A 9 -5.587 -1.727 13.440 1.00 0.00 C ATOM 0 H VAL A 9 -8.360 -1.441 14.976 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.091 -3.376 15.522 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.368 -0.378 14.935 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.893 -0.306 15.035 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.584 -0.790 16.602 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.864 -2.015 15.531 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.038 -0.948 12.912 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.018 -2.656 13.409 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.554 -1.877 12.961 1.00 0.00 H new ATOM 65 N LYS A 10 -5.827 -2.809 17.905 1.00 0.00 N ATOM 66 CA LYS A 10 -5.832 -2.593 19.382 1.00 0.00 C ATOM 67 C LYS A 10 -4.671 -1.676 19.779 1.00 0.00 C ATOM 68 O LYS A 10 -3.942 -1.202 18.929 1.00 0.00 O ATOM 69 CB LYS A 10 -5.650 -3.992 19.977 1.00 0.00 C ATOM 70 CG LYS A 10 -6.890 -4.370 20.792 1.00 0.00 C ATOM 71 CD LYS A 10 -6.469 -5.168 22.029 1.00 0.00 C ATOM 72 CE LYS A 10 -7.553 -6.193 22.370 1.00 0.00 C ATOM 73 NZ LYS A 10 -7.784 -6.036 23.832 1.00 0.00 N ATOM 0 H LYS A 10 -5.166 -3.511 17.573 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.746 -2.116 19.737 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.491 -4.719 19.180 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.764 -4.016 20.612 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.428 -3.471 21.093 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.573 -4.960 20.181 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.521 -5.674 21.843 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.312 -4.495 22.872 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.465 -6.006 21.804 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.229 -7.205 22.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.516 -6.707 24.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.900 -6.227 24.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.098 -5.065 24.032 1.00 0.00 H new ATOM 87 N PRO A 11 -4.530 -1.455 21.060 1.00 0.00 N ATOM 88 CA PRO A 11 -3.436 -0.586 21.561 1.00 0.00 C ATOM 89 C PRO A 11 -2.089 -1.279 21.358 1.00 0.00 C ATOM 90 O PRO A 11 -1.094 -0.651 21.055 1.00 0.00 O ATOM 91 CB PRO A 11 -3.760 -0.418 23.044 1.00 0.00 C ATOM 92 CG PRO A 11 -4.588 -1.611 23.394 1.00 0.00 C ATOM 93 CD PRO A 11 -5.355 -1.986 22.153 1.00 0.00 C ATOM 0 HA PRO A 11 -3.366 0.372 21.045 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.851 -0.378 23.645 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.305 0.508 23.227 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.957 -2.437 23.723 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.268 -1.383 24.215 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.481 -3.066 22.071 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.353 -1.547 22.151 1.00 0.00 H new ATOM 101 N GLU A 12 -2.055 -2.573 21.513 1.00 0.00 N ATOM 102 CA GLU A 12 -0.778 -3.316 21.315 1.00 0.00 C ATOM 103 C GLU A 12 -0.383 -3.284 19.838 1.00 0.00 C ATOM 104 O GLU A 12 0.778 -3.381 19.492 1.00 0.00 O ATOM 105 CB GLU A 12 -1.079 -4.748 21.761 1.00 0.00 C ATOM 106 CG GLU A 12 -2.172 -5.345 20.872 1.00 0.00 C ATOM 107 CD GLU A 12 -2.286 -6.847 21.139 1.00 0.00 C ATOM 108 OE1 GLU A 12 -1.584 -7.328 22.012 1.00 0.00 O ATOM 109 OE2 GLU A 12 -3.075 -7.490 20.466 1.00 0.00 O ATOM 0 H GLU A 12 -2.857 -3.149 21.769 1.00 0.00 H new ATOM 0 HA GLU A 12 0.049 -2.883 21.878 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -0.176 -5.355 21.701 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.400 -4.755 22.803 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.125 -4.856 21.072 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.938 -5.169 19.822 1.00 0.00 H new ATOM 116 N ASP A 13 -1.340 -3.135 18.965 1.00 0.00 N ATOM 117 CA ASP A 13 -1.020 -3.080 17.513 1.00 0.00 C ATOM 118 C ASP A 13 -0.675 -1.643 17.137 1.00 0.00 C ATOM 119 O ASP A 13 0.229 -1.388 16.368 1.00 0.00 O ATOM 120 CB ASP A 13 -2.295 -3.541 16.805 1.00 0.00 C ATOM 121 CG ASP A 13 -2.633 -4.969 17.238 1.00 0.00 C ATOM 122 OD1 ASP A 13 -1.897 -5.870 16.869 1.00 0.00 O ATOM 123 OD2 ASP A 13 -3.621 -5.138 17.933 1.00 0.00 O ATOM 0 H ASP A 13 -2.330 -3.049 19.195 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.170 -3.704 17.238 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.120 -2.871 17.047 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.158 -3.500 15.724 1.00 0.00 H new ATOM 128 N LYS A 14 -1.378 -0.700 17.698 1.00 0.00 N ATOM 129 CA LYS A 14 -1.077 0.723 17.400 1.00 0.00 C ATOM 130 C LYS A 14 0.191 1.125 18.151 1.00 0.00 C ATOM 131 O LYS A 14 0.828 2.112 17.840 1.00 0.00 O ATOM 132 CB LYS A 14 -2.282 1.513 17.911 1.00 0.00 C ATOM 133 CG LYS A 14 -2.192 2.959 17.415 1.00 0.00 C ATOM 134 CD LYS A 14 -2.627 3.909 18.534 1.00 0.00 C ATOM 135 CE LYS A 14 -3.890 4.660 18.106 1.00 0.00 C ATOM 136 NZ LYS A 14 -4.023 5.788 19.073 1.00 0.00 N ATOM 0 H LYS A 14 -2.147 -0.855 18.350 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.911 0.908 16.339 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.206 1.054 17.561 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.309 1.492 19.000 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.172 3.186 17.106 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.828 3.095 16.540 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.818 3.347 19.448 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.828 4.617 18.755 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.802 5.027 17.083 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.764 4.010 18.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.942 5.725 19.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.258 5.735 19.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.961 6.692 18.562 1.00 0.00 H new ATOM 150 N ALA A 15 0.566 0.351 19.134 1.00 0.00 N ATOM 151 CA ALA A 15 1.802 0.670 19.900 1.00 0.00 C ATOM 152 C ALA A 15 3.019 0.314 19.052 1.00 0.00 C ATOM 153 O ALA A 15 4.052 0.947 19.131 1.00 0.00 O ATOM 154 CB ALA A 15 1.739 -0.202 21.154 1.00 0.00 C ATOM 0 H ALA A 15 0.070 -0.487 19.438 1.00 0.00 H new ATOM 0 HA ALA A 15 1.878 1.726 20.159 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.621 -0.020 21.769 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.843 0.044 21.723 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.709 -1.253 20.865 1.00 0.00 H new ATOM 160 N LYS A 16 2.894 -0.685 18.220 1.00 0.00 N ATOM 161 CA LYS A 16 4.034 -1.060 17.350 1.00 0.00 C ATOM 162 C LYS A 16 3.975 -0.206 16.082 1.00 0.00 C ATOM 163 O LYS A 16 4.964 0.003 15.408 1.00 0.00 O ATOM 164 CB LYS A 16 3.848 -2.558 17.074 1.00 0.00 C ATOM 165 CG LYS A 16 3.037 -2.765 15.804 1.00 0.00 C ATOM 166 CD LYS A 16 3.981 -3.020 14.626 1.00 0.00 C ATOM 167 CE LYS A 16 4.123 -4.529 14.399 1.00 0.00 C ATOM 168 NZ LYS A 16 5.266 -4.669 13.453 1.00 0.00 N ATOM 0 H LYS A 16 2.054 -1.252 18.109 1.00 0.00 H new ATOM 0 HA LYS A 16 5.014 -0.886 17.795 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.821 -3.040 16.975 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.343 -3.030 17.917 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.358 -3.609 15.928 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.422 -1.887 15.606 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.594 -2.541 13.726 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.957 -2.579 14.827 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.318 -5.053 15.335 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.210 -4.953 13.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.830 -5.504 13.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.903 -4.782 12.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.863 -3.819 13.502 1.00 0.00 H new ATOM 182 N TYR A 17 2.816 0.318 15.783 1.00 0.00 N ATOM 183 CA TYR A 17 2.678 1.198 14.594 1.00 0.00 C ATOM 184 C TYR A 17 3.210 2.582 14.958 1.00 0.00 C ATOM 185 O TYR A 17 3.771 3.283 14.143 1.00 0.00 O ATOM 186 CB TYR A 17 1.175 1.277 14.303 1.00 0.00 C ATOM 187 CG TYR A 17 0.618 -0.098 14.010 1.00 0.00 C ATOM 188 CD1 TYR A 17 1.477 -1.157 13.696 1.00 0.00 C ATOM 189 CD2 TYR A 17 -0.766 -0.309 14.049 1.00 0.00 C ATOM 190 CE1 TYR A 17 0.955 -2.426 13.426 1.00 0.00 C ATOM 191 CE2 TYR A 17 -1.291 -1.578 13.777 1.00 0.00 C ATOM 192 CZ TYR A 17 -0.428 -2.638 13.466 1.00 0.00 C ATOM 193 OH TYR A 17 -0.942 -3.890 13.198 1.00 0.00 O ATOM 0 H TYR A 17 1.958 0.172 16.315 1.00 0.00 H new ATOM 0 HA TYR A 17 3.227 0.825 13.729 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.656 1.711 15.157 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.998 1.936 13.453 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.544 -0.994 13.662 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.429 0.509 14.289 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.619 -3.243 13.186 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.358 -1.740 13.807 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.004 -4.403 14.031 1.00 0.00 H new ATOM 203 N ASP A 18 3.033 2.968 16.196 1.00 0.00 N ATOM 204 CA ASP A 18 3.521 4.304 16.648 1.00 0.00 C ATOM 205 C ASP A 18 5.049 4.330 16.648 1.00 0.00 C ATOM 206 O ASP A 18 5.660 5.377 16.716 1.00 0.00 O ATOM 207 CB ASP A 18 2.983 4.463 18.070 1.00 0.00 C ATOM 208 CG ASP A 18 1.875 5.517 18.084 1.00 0.00 C ATOM 209 OD1 ASP A 18 0.812 5.238 17.556 1.00 0.00 O ATOM 210 OD2 ASP A 18 2.109 6.587 18.623 1.00 0.00 O ATOM 0 H ASP A 18 2.570 2.412 16.915 1.00 0.00 H new ATOM 0 HA ASP A 18 3.187 5.110 15.995 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.597 3.510 18.432 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.788 4.758 18.743 1.00 0.00 H new ATOM 215 N ALA A 19 5.672 3.189 16.548 1.00 0.00 N ATOM 216 CA ALA A 19 7.160 3.163 16.514 1.00 0.00 C ATOM 217 C ALA A 19 7.582 3.282 15.061 1.00 0.00 C ATOM 218 O ALA A 19 8.574 3.898 14.724 1.00 0.00 O ATOM 219 CB ALA A 19 7.563 1.805 17.083 1.00 0.00 C ATOM 0 H ALA A 19 5.218 2.278 16.489 1.00 0.00 H new ATOM 0 HA ALA A 19 7.624 3.968 17.084 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.650 1.720 17.086 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.189 1.712 18.102 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.139 1.012 16.467 1.00 0.00 H new ATOM 225 N ILE A 20 6.793 2.714 14.200 1.00 0.00 N ATOM 226 CA ILE A 20 7.068 2.793 12.753 1.00 0.00 C ATOM 227 C ILE A 20 6.571 4.146 12.259 1.00 0.00 C ATOM 228 O ILE A 20 7.166 4.773 11.408 1.00 0.00 O ATOM 229 CB ILE A 20 6.238 1.663 12.161 1.00 0.00 C ATOM 230 CG1 ILE A 20 6.934 0.324 12.400 1.00 0.00 C ATOM 231 CG2 ILE A 20 6.071 1.890 10.670 1.00 0.00 C ATOM 232 CD1 ILE A 20 5.896 -0.797 12.340 1.00 0.00 C ATOM 0 H ILE A 20 5.954 2.189 14.447 1.00 0.00 H new ATOM 0 HA ILE A 20 8.121 2.702 12.486 1.00 0.00 H new ATOM 0 HB ILE A 20 5.260 1.646 12.641 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.706 0.162 11.648 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.430 0.326 13.371 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.477 1.082 10.243 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.565 2.841 10.501 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.051 1.911 10.193 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.386 -1.756 12.510 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.140 -0.635 13.108 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.421 -0.801 11.359 1.00 0.00 H new ATOM 244 N PHE A 21 5.482 4.603 12.817 1.00 0.00 N ATOM 245 CA PHE A 21 4.932 5.925 12.425 1.00 0.00 C ATOM 246 C PHE A 21 5.892 7.013 12.907 1.00 0.00 C ATOM 247 O PHE A 21 6.089 8.023 12.261 1.00 0.00 O ATOM 248 CB PHE A 21 3.570 5.996 13.141 1.00 0.00 C ATOM 249 CG PHE A 21 3.265 7.407 13.593 1.00 0.00 C ATOM 250 CD1 PHE A 21 3.948 7.951 14.687 1.00 0.00 C ATOM 251 CD2 PHE A 21 2.295 8.162 12.925 1.00 0.00 C ATOM 252 CE1 PHE A 21 3.662 9.252 15.112 1.00 0.00 C ATOM 253 CE2 PHE A 21 2.008 9.464 13.351 1.00 0.00 C ATOM 254 CZ PHE A 21 2.692 10.008 14.445 1.00 0.00 C ATOM 0 H PHE A 21 4.948 4.110 13.533 1.00 0.00 H new ATOM 0 HA PHE A 21 4.814 6.062 11.350 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.785 5.648 12.470 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.573 5.328 14.002 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.695 7.366 15.203 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.768 7.741 12.082 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.190 9.673 15.955 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.260 10.048 12.836 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.471 11.012 14.774 1.00 0.00 H new ATOM 264 N ASP A 22 6.499 6.802 14.042 1.00 0.00 N ATOM 265 CA ASP A 22 7.454 7.810 14.572 1.00 0.00 C ATOM 266 C ASP A 22 8.862 7.525 14.044 1.00 0.00 C ATOM 267 O ASP A 22 9.793 8.260 14.305 1.00 0.00 O ATOM 268 CB ASP A 22 7.393 7.657 16.090 1.00 0.00 C ATOM 269 CG ASP A 22 8.579 8.385 16.723 1.00 0.00 C ATOM 270 OD1 ASP A 22 8.888 9.476 16.272 1.00 0.00 O ATOM 271 OD2 ASP A 22 9.159 7.841 17.648 1.00 0.00 O ATOM 0 H ASP A 22 6.374 5.974 14.624 1.00 0.00 H new ATOM 0 HA ASP A 22 7.204 8.825 14.264 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.457 8.066 16.470 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.414 6.601 16.361 1.00 0.00 H new ATOM 276 N SER A 23 9.018 6.479 13.279 1.00 0.00 N ATOM 277 CA SER A 23 10.359 6.168 12.705 1.00 0.00 C ATOM 278 C SER A 23 10.477 6.849 11.342 1.00 0.00 C ATOM 279 O SER A 23 11.492 6.778 10.676 1.00 0.00 O ATOM 280 CB SER A 23 10.392 4.647 12.554 1.00 0.00 C ATOM 281 OG SER A 23 11.411 4.114 13.391 1.00 0.00 O ATOM 0 H SER A 23 8.276 5.827 13.027 1.00 0.00 H new ATOM 0 HA SER A 23 11.182 6.518 13.328 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.425 4.222 12.823 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.581 4.377 11.515 1.00 0.00 H new ATOM 0 HG SER A 23 11.434 3.139 13.298 1.00 0.00 H new ATOM 287 N LEU A 24 9.432 7.514 10.936 1.00 0.00 N ATOM 288 CA LEU A 24 9.433 8.224 9.626 1.00 0.00 C ATOM 289 C LEU A 24 9.462 9.733 9.877 1.00 0.00 C ATOM 290 O LEU A 24 9.508 10.524 8.956 1.00 0.00 O ATOM 291 CB LEU A 24 8.114 7.844 8.933 1.00 0.00 C ATOM 292 CG LEU A 24 7.533 6.549 9.509 1.00 0.00 C ATOM 293 CD1 LEU A 24 6.173 6.268 8.865 1.00 0.00 C ATOM 294 CD2 LEU A 24 8.477 5.386 9.213 1.00 0.00 C ATOM 0 H LEU A 24 8.564 7.597 11.465 1.00 0.00 H new ATOM 0 HA LEU A 24 10.296 7.954 9.017 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.393 8.653 9.052 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.285 7.724 7.863 1.00 0.00 H new ATOM 0 HG LEU A 24 7.414 6.658 10.587 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.760 5.346 9.275 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.494 7.095 9.074 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.296 6.163 7.787 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.061 4.466 9.624 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.597 5.280 8.135 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.448 5.580 9.669 1.00 0.00 H new ATOM 306 N SER A 25 9.402 10.124 11.128 1.00 0.00 N ATOM 307 CA SER A 25 9.397 11.576 11.493 1.00 0.00 C ATOM 308 C SER A 25 7.982 12.132 11.331 1.00 0.00 C ATOM 309 O SER A 25 7.614 12.635 10.288 1.00 0.00 O ATOM 310 CB SER A 25 10.371 12.271 10.550 1.00 0.00 C ATOM 311 OG SER A 25 11.207 13.145 11.297 1.00 0.00 O ATOM 0 H SER A 25 9.356 9.488 11.924 1.00 0.00 H new ATOM 0 HA SER A 25 9.699 11.736 12.528 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.976 11.532 10.024 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.824 12.832 9.793 1.00 0.00 H new ATOM 0 HG SER A 25 11.836 13.592 10.693 1.00 0.00 H new ATOM 317 N PRO A 26 7.238 11.993 12.387 1.00 0.00 N ATOM 318 CA PRO A 26 5.830 12.454 12.416 1.00 0.00 C ATOM 319 C PRO A 26 5.757 13.977 12.465 1.00 0.00 C ATOM 320 O PRO A 26 6.599 14.638 13.040 1.00 0.00 O ATOM 321 CB PRO A 26 5.286 11.848 13.707 1.00 0.00 C ATOM 322 CG PRO A 26 6.488 11.658 14.573 1.00 0.00 C ATOM 323 CD PRO A 26 7.652 11.397 13.653 1.00 0.00 C ATOM 0 HA PRO A 26 5.267 12.155 11.532 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.559 12.509 14.179 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.781 10.901 13.518 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.669 12.543 15.183 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.342 10.823 15.258 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.568 11.853 14.029 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.847 10.330 13.548 1.00 0.00 H new ATOM 331 N VAL A 27 4.744 14.533 11.872 1.00 0.00 N ATOM 332 CA VAL A 27 4.585 16.013 11.882 1.00 0.00 C ATOM 333 C VAL A 27 3.308 16.376 12.640 1.00 0.00 C ATOM 334 O VAL A 27 2.212 16.169 12.157 1.00 0.00 O ATOM 335 CB VAL A 27 4.475 16.412 10.410 1.00 0.00 C ATOM 336 CG1 VAL A 27 4.310 17.928 10.303 1.00 0.00 C ATOM 337 CG2 VAL A 27 5.745 15.986 9.668 1.00 0.00 C ATOM 0 H VAL A 27 4.012 14.024 11.376 1.00 0.00 H new ATOM 0 HA VAL A 27 5.413 16.526 12.372 1.00 0.00 H new ATOM 0 HB VAL A 27 3.611 15.919 9.965 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.232 18.212 9.254 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.406 18.234 10.830 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.174 18.420 10.749 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.666 16.271 8.619 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.609 16.479 10.114 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.865 14.905 9.743 1.00 0.00 H new ATOM 347 N ASN A 28 3.434 16.896 13.831 1.00 0.00 N ATOM 348 CA ASN A 28 2.218 17.245 14.618 1.00 0.00 C ATOM 349 C ASN A 28 1.348 15.997 14.783 1.00 0.00 C ATOM 350 O ASN A 28 0.145 16.076 14.933 1.00 0.00 O ATOM 351 CB ASN A 28 1.495 18.308 13.788 1.00 0.00 C ATOM 352 CG ASN A 28 0.180 18.686 14.473 1.00 0.00 C ATOM 353 OD1 ASN A 28 0.156 19.537 15.339 1.00 0.00 O ATOM 354 ND2 ASN A 28 -0.925 18.085 14.119 1.00 0.00 N ATOM 0 H ASN A 28 4.323 17.093 14.291 1.00 0.00 H new ATOM 0 HA ASN A 28 2.451 17.613 15.617 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.126 19.190 13.678 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.299 17.929 12.785 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.806 18.331 14.570 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.906 17.370 13.392 1.00 0.00 H new ATOM 361 N GLY A 29 1.954 14.841 14.744 1.00 0.00 N ATOM 362 CA GLY A 29 1.173 13.580 14.884 1.00 0.00 C ATOM 363 C GLY A 29 0.696 13.140 13.502 1.00 0.00 C ATOM 364 O GLY A 29 -0.391 12.624 13.342 1.00 0.00 O ATOM 0 H GLY A 29 2.959 14.716 14.621 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.789 12.803 15.336 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.321 13.735 15.545 1.00 0.00 H new ATOM 368 N PHE A 30 1.502 13.350 12.501 1.00 0.00 N ATOM 369 CA PHE A 30 1.100 12.957 11.121 1.00 0.00 C ATOM 370 C PHE A 30 2.316 12.596 10.276 1.00 0.00 C ATOM 371 O PHE A 30 3.429 12.987 10.561 1.00 0.00 O ATOM 372 CB PHE A 30 0.426 14.194 10.542 1.00 0.00 C ATOM 373 CG PHE A 30 -0.884 14.406 11.239 1.00 0.00 C ATOM 374 CD1 PHE A 30 -2.023 13.730 10.798 1.00 0.00 C ATOM 375 CD2 PHE A 30 -0.959 15.275 12.331 1.00 0.00 C ATOM 376 CE1 PHE A 30 -3.245 13.925 11.449 1.00 0.00 C ATOM 377 CE2 PHE A 30 -2.176 15.470 12.983 1.00 0.00 C ATOM 378 CZ PHE A 30 -3.323 14.798 12.543 1.00 0.00 C ATOM 0 H PHE A 30 2.425 13.778 12.578 1.00 0.00 H new ATOM 0 HA PHE A 30 0.449 12.083 11.130 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.066 15.067 10.670 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.267 14.070 9.471 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.960 13.057 9.955 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.075 15.795 12.670 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.128 13.404 11.109 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.234 16.140 13.828 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.266 14.952 13.046 1.00 0.00 H new ATOM 388 N LEU A 31 2.098 11.873 9.218 1.00 0.00 N ATOM 389 CA LEU A 31 3.224 11.503 8.320 1.00 0.00 C ATOM 390 C LEU A 31 2.790 11.686 6.874 1.00 0.00 C ATOM 391 O LEU A 31 1.715 11.278 6.482 1.00 0.00 O ATOM 392 CB LEU A 31 3.527 10.035 8.602 1.00 0.00 C ATOM 393 CG LEU A 31 4.178 9.910 9.975 1.00 0.00 C ATOM 394 CD1 LEU A 31 3.850 8.539 10.567 1.00 0.00 C ATOM 395 CD2 LEU A 31 5.694 10.064 9.824 1.00 0.00 C ATOM 0 H LEU A 31 1.184 11.520 8.934 1.00 0.00 H new ATOM 0 HA LEU A 31 4.105 12.122 8.489 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.609 9.449 8.568 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.190 9.635 7.835 1.00 0.00 H new ATOM 0 HG LEU A 31 3.799 10.686 10.640 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.314 8.446 11.549 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.769 8.434 10.665 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.232 7.758 9.910 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.168 9.976 10.802 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.075 9.284 9.165 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.920 11.042 9.398 1.00 0.00 H new ATOM 407 N SER A 32 3.614 12.296 6.079 1.00 0.00 N ATOM 408 CA SER A 32 3.245 12.507 4.655 1.00 0.00 C ATOM 409 C SER A 32 3.560 11.260 3.851 1.00 0.00 C ATOM 410 O SER A 32 4.575 10.623 4.054 1.00 0.00 O ATOM 411 CB SER A 32 4.093 13.685 4.178 1.00 0.00 C ATOM 412 OG SER A 32 4.895 14.160 5.252 1.00 0.00 O ATOM 0 H SER A 32 4.528 12.659 6.351 1.00 0.00 H new ATOM 0 HA SER A 32 2.181 12.710 4.533 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.726 13.377 3.346 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.450 14.484 3.810 1.00 0.00 H new ATOM 0 HG SER A 32 5.440 14.914 4.945 1.00 0.00 H new ATOM 418 N GLY A 33 2.695 10.908 2.941 1.00 0.00 N ATOM 419 CA GLY A 33 2.940 9.694 2.109 1.00 0.00 C ATOM 420 C GLY A 33 4.429 9.608 1.760 1.00 0.00 C ATOM 421 O GLY A 33 4.971 8.540 1.570 1.00 0.00 O ATOM 0 H GLY A 33 1.829 11.407 2.737 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.630 8.800 2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.344 9.738 1.198 1.00 0.00 H new ATOM 425 N ASP A 34 5.094 10.731 1.685 1.00 0.00 N ATOM 426 CA ASP A 34 6.550 10.724 1.355 1.00 0.00 C ATOM 427 C ASP A 34 7.323 9.788 2.292 1.00 0.00 C ATOM 428 O ASP A 34 8.271 9.143 1.890 1.00 0.00 O ATOM 429 CB ASP A 34 7.001 12.167 1.557 1.00 0.00 C ATOM 430 CG ASP A 34 7.852 12.607 0.364 1.00 0.00 C ATOM 431 OD1 ASP A 34 7.501 12.256 -0.749 1.00 0.00 O ATOM 432 OD2 ASP A 34 8.839 13.288 0.586 1.00 0.00 O ATOM 0 H ASP A 34 4.690 11.655 1.838 1.00 0.00 H new ATOM 0 HA ASP A 34 6.734 10.366 0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.134 12.819 1.659 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.576 12.254 2.479 1.00 0.00 H new ATOM 437 N LYS A 35 6.932 9.708 3.534 1.00 0.00 N ATOM 438 CA LYS A 35 7.658 8.811 4.490 1.00 0.00 C ATOM 439 C LYS A 35 6.920 7.489 4.607 1.00 0.00 C ATOM 440 O LYS A 35 7.508 6.428 4.640 1.00 0.00 O ATOM 441 CB LYS A 35 7.645 9.526 5.845 1.00 0.00 C ATOM 442 CG LYS A 35 7.546 11.036 5.649 1.00 0.00 C ATOM 443 CD LYS A 35 7.853 11.731 6.976 1.00 0.00 C ATOM 444 CE LYS A 35 7.255 13.139 6.974 1.00 0.00 C ATOM 445 NZ LYS A 35 8.422 14.051 6.821 1.00 0.00 N ATOM 0 H LYS A 35 6.145 10.221 3.931 1.00 0.00 H new ATOM 0 HA LYS A 35 8.675 8.609 4.154 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.803 9.174 6.441 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.551 9.284 6.400 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.248 11.363 4.882 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.548 11.306 5.304 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.442 11.153 7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.931 11.784 7.128 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.545 13.265 6.157 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.715 13.340 7.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.093 15.037 6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.077 13.913 7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.912 13.841 5.928 1.00 0.00 H new ATOM 459 N VAL A 36 5.630 7.553 4.681 1.00 0.00 N ATOM 460 CA VAL A 36 4.832 6.310 4.805 1.00 0.00 C ATOM 461 C VAL A 36 4.840 5.532 3.490 1.00 0.00 C ATOM 462 O VAL A 36 5.048 4.337 3.469 1.00 0.00 O ATOM 463 CB VAL A 36 3.422 6.787 5.117 1.00 0.00 C ATOM 464 CG1 VAL A 36 2.529 5.575 5.375 1.00 0.00 C ATOM 465 CG2 VAL A 36 3.450 7.691 6.351 1.00 0.00 C ATOM 0 H VAL A 36 5.088 8.417 4.661 1.00 0.00 H new ATOM 0 HA VAL A 36 5.229 5.644 5.571 1.00 0.00 H new ATOM 0 HB VAL A 36 3.027 7.353 4.273 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.516 5.910 5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.513 4.940 4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.919 5.009 6.221 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.439 8.033 6.575 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.841 7.133 7.202 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.090 8.552 6.157 1.00 0.00 H new ATOM 475 N LYS A 37 4.599 6.194 2.391 1.00 0.00 N ATOM 476 CA LYS A 37 4.573 5.465 1.089 1.00 0.00 C ATOM 477 C LYS A 37 5.773 4.520 0.970 1.00 0.00 C ATOM 478 O LYS A 37 5.599 3.349 0.699 1.00 0.00 O ATOM 479 CB LYS A 37 4.611 6.538 -0.004 1.00 0.00 C ATOM 480 CG LYS A 37 4.663 5.861 -1.378 1.00 0.00 C ATOM 481 CD LYS A 37 4.699 6.927 -2.478 1.00 0.00 C ATOM 482 CE LYS A 37 5.381 6.353 -3.722 1.00 0.00 C ATOM 483 NZ LYS A 37 4.766 5.011 -3.913 1.00 0.00 N ATOM 0 H LYS A 37 4.421 7.197 2.337 1.00 0.00 H new ATOM 0 HA LYS A 37 3.680 4.846 1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.730 7.176 0.066 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.481 7.180 0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.545 5.224 -1.447 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.793 5.217 -1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.686 7.249 -2.721 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.238 7.808 -2.128 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.217 6.990 -4.591 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.459 6.277 -3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.852 4.728 -4.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.255 4.316 -3.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.761 5.049 -3.650 1.00 0.00 H new ATOM 497 N PRO A 38 6.957 5.040 1.185 1.00 0.00 N ATOM 498 CA PRO A 38 8.167 4.185 1.104 1.00 0.00 C ATOM 499 C PRO A 38 8.135 3.162 2.238 1.00 0.00 C ATOM 500 O PRO A 38 8.561 2.035 2.089 1.00 0.00 O ATOM 501 CB PRO A 38 9.321 5.175 1.261 1.00 0.00 C ATOM 502 CG PRO A 38 8.728 6.342 1.979 1.00 0.00 C ATOM 503 CD PRO A 38 7.294 6.431 1.527 1.00 0.00 C ATOM 0 HA PRO A 38 8.251 3.615 0.179 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.143 4.738 1.828 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.724 5.470 0.292 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.788 6.206 3.059 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.268 7.259 1.743 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.648 6.819 2.314 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.184 7.094 0.669 1.00 0.00 H new ATOM 511 N VAL A 39 7.605 3.553 3.362 1.00 0.00 N ATOM 512 CA VAL A 39 7.502 2.623 4.523 1.00 0.00 C ATOM 513 C VAL A 39 6.600 1.443 4.157 1.00 0.00 C ATOM 514 O VAL A 39 6.747 0.353 4.673 1.00 0.00 O ATOM 515 CB VAL A 39 6.880 3.476 5.639 1.00 0.00 C ATOM 516 CG1 VAL A 39 6.056 2.602 6.589 1.00 0.00 C ATOM 517 CG2 VAL A 39 7.993 4.168 6.429 1.00 0.00 C ATOM 0 H VAL A 39 7.234 4.488 3.529 1.00 0.00 H new ATOM 0 HA VAL A 39 8.461 2.201 4.825 1.00 0.00 H new ATOM 0 HB VAL A 39 6.224 4.220 5.186 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.624 3.224 7.373 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.257 2.112 6.032 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.700 1.847 7.039 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.554 4.774 7.222 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.649 3.416 6.868 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.570 4.807 5.761 1.00 0.00 H new ATOM 527 N LEU A 40 5.673 1.647 3.264 1.00 0.00 N ATOM 528 CA LEU A 40 4.778 0.527 2.867 1.00 0.00 C ATOM 529 C LEU A 40 5.464 -0.318 1.799 1.00 0.00 C ATOM 530 O LEU A 40 5.070 -1.433 1.521 1.00 0.00 O ATOM 531 CB LEU A 40 3.523 1.194 2.317 1.00 0.00 C ATOM 532 CG LEU A 40 2.917 2.084 3.398 1.00 0.00 C ATOM 533 CD1 LEU A 40 1.528 2.545 2.959 1.00 0.00 C ATOM 534 CD2 LEU A 40 2.818 1.295 4.707 1.00 0.00 C ATOM 0 H LEU A 40 5.497 2.535 2.795 1.00 0.00 H new ATOM 0 HA LEU A 40 4.540 -0.138 3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.767 1.786 1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.802 0.439 2.004 1.00 0.00 H new ATOM 0 HG LEU A 40 3.550 2.958 3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.095 3.181 3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.608 3.107 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.889 1.676 2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.385 1.928 5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.185 0.420 4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.813 0.974 5.015 1.00 0.00 H new ATOM 546 N LEU A 41 6.506 0.201 1.214 1.00 0.00 N ATOM 547 CA LEU A 41 7.239 -0.573 0.185 1.00 0.00 C ATOM 548 C LEU A 41 8.137 -1.586 0.884 1.00 0.00 C ATOM 549 O LEU A 41 8.421 -2.646 0.363 1.00 0.00 O ATOM 550 CB LEU A 41 8.073 0.457 -0.570 1.00 0.00 C ATOM 551 CG LEU A 41 7.192 1.181 -1.584 1.00 0.00 C ATOM 552 CD1 LEU A 41 7.864 2.494 -1.989 1.00 0.00 C ATOM 553 CD2 LEU A 41 7.012 0.295 -2.817 1.00 0.00 C ATOM 0 H LEU A 41 6.880 1.130 1.407 1.00 0.00 H new ATOM 0 HA LEU A 41 6.581 -1.120 -0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.505 1.173 0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.903 -0.034 -1.078 1.00 0.00 H new ATOM 0 HG LEU A 41 6.218 1.393 -1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.238 3.015 -2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.998 3.121 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.836 2.283 -2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.383 0.808 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.986 0.087 -3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.539 -0.643 -2.525 1.00 0.00 H new ATOM 565 N ASN A 42 8.576 -1.269 2.073 1.00 0.00 N ATOM 566 CA ASN A 42 9.443 -2.224 2.813 1.00 0.00 C ATOM 567 C ASN A 42 8.697 -3.546 2.982 1.00 0.00 C ATOM 568 O ASN A 42 9.287 -4.606 3.060 1.00 0.00 O ATOM 569 CB ASN A 42 9.698 -1.570 4.170 1.00 0.00 C ATOM 570 CG ASN A 42 10.448 -0.257 3.972 1.00 0.00 C ATOM 571 OD1 ASN A 42 11.662 -0.228 3.977 1.00 0.00 O ATOM 572 ND2 ASN A 42 9.768 0.838 3.794 1.00 0.00 N ATOM 0 H ASN A 42 8.372 -0.396 2.559 1.00 0.00 H new ATOM 0 HA ASN A 42 10.378 -2.436 2.295 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.752 -1.387 4.680 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.278 -2.240 4.805 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.255 1.724 3.658 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.748 0.810 3.790 1.00 0.00 H new ATOM 579 N SER A 43 7.394 -3.483 3.024 1.00 0.00 N ATOM 580 CA SER A 43 6.582 -4.721 3.169 1.00 0.00 C ATOM 581 C SER A 43 6.817 -5.634 1.965 1.00 0.00 C ATOM 582 O SER A 43 6.445 -6.791 1.965 1.00 0.00 O ATOM 583 CB SER A 43 5.138 -4.230 3.195 1.00 0.00 C ATOM 584 OG SER A 43 4.633 -4.192 1.868 1.00 0.00 O ATOM 0 H SER A 43 6.855 -2.619 2.963 1.00 0.00 H new ATOM 0 HA SER A 43 6.836 -5.294 4.061 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.528 -4.891 3.810 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.087 -3.238 3.645 1.00 0.00 H new ATOM 0 HG SER A 43 4.717 -3.283 1.512 1.00 0.00 H new ATOM 590 N LYS A 44 7.430 -5.108 0.937 1.00 0.00 N ATOM 591 CA LYS A 44 7.701 -5.915 -0.291 1.00 0.00 C ATOM 592 C LYS A 44 6.412 -6.085 -1.096 1.00 0.00 C ATOM 593 O LYS A 44 6.332 -6.891 -2.002 1.00 0.00 O ATOM 594 CB LYS A 44 8.223 -7.269 0.202 1.00 0.00 C ATOM 595 CG LYS A 44 9.391 -7.715 -0.680 1.00 0.00 C ATOM 596 CD LYS A 44 10.668 -7.791 0.159 1.00 0.00 C ATOM 597 CE LYS A 44 11.136 -9.247 0.246 1.00 0.00 C ATOM 598 NZ LYS A 44 12.304 -9.332 -0.673 1.00 0.00 N ATOM 0 H LYS A 44 7.758 -4.143 0.895 1.00 0.00 H new ATOM 0 HA LYS A 44 8.427 -5.433 -0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.546 -7.191 1.240 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.426 -8.012 0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.176 -8.688 -1.122 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.526 -7.014 -1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.447 -7.174 -0.288 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.483 -7.397 1.158 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.416 -9.511 1.266 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.346 -9.934 -0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.680 -10.302 -0.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.006 -9.082 -1.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.043 -8.672 -0.357 1.00 0.00 H new ATOM 612 N LEU A 45 5.407 -5.319 -0.775 1.00 0.00 N ATOM 613 CA LEU A 45 4.120 -5.416 -1.520 1.00 0.00 C ATOM 614 C LEU A 45 4.173 -4.531 -2.763 1.00 0.00 C ATOM 615 O LEU A 45 4.953 -3.600 -2.830 1.00 0.00 O ATOM 616 CB LEU A 45 3.058 -4.893 -0.554 1.00 0.00 C ATOM 617 CG LEU A 45 2.581 -6.021 0.357 1.00 0.00 C ATOM 618 CD1 LEU A 45 1.616 -5.445 1.395 1.00 0.00 C ATOM 619 CD2 LEU A 45 1.864 -7.083 -0.481 1.00 0.00 C ATOM 0 H LEU A 45 5.421 -4.627 -0.026 1.00 0.00 H new ATOM 0 HA LEU A 45 3.910 -6.434 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.468 -4.080 0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.216 -4.485 -1.113 1.00 0.00 H new ATOM 0 HG LEU A 45 3.433 -6.478 0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.269 -6.243 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.128 -4.686 1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.762 -4.995 0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.523 -7.889 0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.007 -6.633 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.551 -7.483 -1.226 1.00 0.00 H new ATOM 631 N PRO A 46 3.329 -4.844 -3.702 1.00 0.00 N ATOM 632 CA PRO A 46 3.264 -4.058 -4.951 1.00 0.00 C ATOM 633 C PRO A 46 2.602 -2.700 -4.690 1.00 0.00 C ATOM 634 O PRO A 46 1.869 -2.527 -3.735 1.00 0.00 O ATOM 635 CB PRO A 46 2.420 -4.927 -5.878 1.00 0.00 C ATOM 636 CG PRO A 46 1.596 -5.785 -4.978 1.00 0.00 C ATOM 637 CD PRO A 46 2.365 -5.949 -3.691 1.00 0.00 C ATOM 0 HA PRO A 46 4.243 -3.833 -5.375 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.789 -4.315 -6.523 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.050 -5.533 -6.530 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.626 -5.325 -4.790 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.406 -6.754 -5.439 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.706 -5.894 -2.824 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.868 -6.915 -3.648 1.00 0.00 H new ATOM 645 N VAL A 47 2.865 -1.736 -5.529 1.00 0.00 N ATOM 646 CA VAL A 47 2.272 -0.377 -5.341 1.00 0.00 C ATOM 647 C VAL A 47 0.742 -0.440 -5.327 1.00 0.00 C ATOM 648 O VAL A 47 0.082 0.519 -4.977 1.00 0.00 O ATOM 649 CB VAL A 47 2.764 0.436 -6.538 1.00 0.00 C ATOM 650 CG1 VAL A 47 2.043 1.784 -6.571 1.00 0.00 C ATOM 651 CG2 VAL A 47 4.272 0.668 -6.412 1.00 0.00 C ATOM 0 H VAL A 47 3.470 -1.830 -6.344 1.00 0.00 H new ATOM 0 HA VAL A 47 2.568 0.065 -4.390 1.00 0.00 H new ATOM 0 HB VAL A 47 2.555 -0.110 -7.458 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.394 2.364 -7.425 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.969 1.620 -6.661 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.251 2.331 -5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.623 1.248 -7.265 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.481 1.214 -5.492 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.787 -0.292 -6.389 1.00 0.00 H new ATOM 661 N ASP A 48 0.165 -1.554 -5.685 1.00 0.00 N ATOM 662 CA ASP A 48 -1.316 -1.655 -5.664 1.00 0.00 C ATOM 663 C ASP A 48 -1.764 -1.755 -4.218 1.00 0.00 C ATOM 664 O ASP A 48 -2.716 -1.129 -3.797 1.00 0.00 O ATOM 665 CB ASP A 48 -1.639 -2.939 -6.411 1.00 0.00 C ATOM 666 CG ASP A 48 -3.076 -2.889 -6.936 1.00 0.00 C ATOM 667 OD1 ASP A 48 -3.962 -2.583 -6.156 1.00 0.00 O ATOM 668 OD2 ASP A 48 -3.264 -3.160 -8.111 1.00 0.00 O ATOM 0 H ASP A 48 0.656 -2.395 -5.990 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.814 -0.799 -6.119 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.944 -3.072 -7.240 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.514 -3.796 -5.749 1.00 0.00 H new ATOM 673 N ILE A 49 -1.055 -2.528 -3.444 1.00 0.00 N ATOM 674 CA ILE A 49 -1.412 -2.650 -2.013 1.00 0.00 C ATOM 675 C ILE A 49 -1.273 -1.278 -1.382 1.00 0.00 C ATOM 676 O ILE A 49 -2.117 -0.820 -0.640 1.00 0.00 O ATOM 677 CB ILE A 49 -0.389 -3.608 -1.409 1.00 0.00 C ATOM 678 CG1 ILE A 49 -0.288 -4.869 -2.262 1.00 0.00 C ATOM 679 CG2 ILE A 49 -0.819 -3.984 0.008 1.00 0.00 C ATOM 680 CD1 ILE A 49 -1.686 -5.362 -2.631 1.00 0.00 C ATOM 0 H ILE A 49 -0.248 -3.076 -3.743 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.427 -3.014 -1.856 1.00 0.00 H new ATOM 0 HB ILE A 49 0.585 -3.119 -1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.284 -4.662 -3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.248 -5.645 -1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.089 -4.668 0.440 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.880 -3.084 0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.795 -4.468 -0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.605 -6.262 -3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.244 -5.587 -1.722 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.208 -4.588 -3.195 1.00 0.00 H new ATOM 692 N LEU A 50 -0.200 -0.618 -1.703 1.00 0.00 N ATOM 693 CA LEU A 50 0.034 0.741 -1.163 1.00 0.00 C ATOM 694 C LEU A 50 -1.079 1.666 -1.647 1.00 0.00 C ATOM 695 O LEU A 50 -1.343 2.698 -1.062 1.00 0.00 O ATOM 696 CB LEU A 50 1.388 1.164 -1.744 1.00 0.00 C ATOM 697 CG LEU A 50 2.432 0.071 -1.493 1.00 0.00 C ATOM 698 CD1 LEU A 50 3.833 0.655 -1.686 1.00 0.00 C ATOM 699 CD2 LEU A 50 2.298 -0.456 -0.061 1.00 0.00 C ATOM 0 H LEU A 50 0.531 -0.967 -2.323 1.00 0.00 H new ATOM 0 HA LEU A 50 0.038 0.777 -0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.292 1.348 -2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.712 2.099 -1.288 1.00 0.00 H new ATOM 0 HG LEU A 50 2.272 -0.747 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.578 -0.120 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.934 1.029 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.986 1.474 -0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.043 -1.233 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.455 0.361 0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.300 -0.871 0.082 1.00 0.00 H new ATOM 711 N GLY A 51 -1.746 1.295 -2.708 1.00 0.00 N ATOM 712 CA GLY A 51 -2.853 2.147 -3.218 1.00 0.00 C ATOM 713 C GLY A 51 -4.113 1.824 -2.423 1.00 0.00 C ATOM 714 O GLY A 51 -4.980 2.657 -2.238 1.00 0.00 O ATOM 0 H GLY A 51 -1.571 0.442 -3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.599 3.202 -3.114 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.016 1.962 -4.280 1.00 0.00 H new ATOM 718 N ARG A 52 -4.212 0.617 -1.938 1.00 0.00 N ATOM 719 CA ARG A 52 -5.403 0.228 -1.142 1.00 0.00 C ATOM 720 C ARG A 52 -5.087 0.341 0.339 1.00 0.00 C ATOM 721 O ARG A 52 -5.740 1.053 1.076 1.00 0.00 O ATOM 722 CB ARG A 52 -5.682 -1.222 -1.521 1.00 0.00 C ATOM 723 CG ARG A 52 -7.022 -1.302 -2.248 1.00 0.00 C ATOM 724 CD ARG A 52 -7.339 -2.758 -2.578 1.00 0.00 C ATOM 725 NE ARG A 52 -6.667 -3.009 -3.884 1.00 0.00 N ATOM 726 CZ ARG A 52 -7.284 -3.670 -4.826 1.00 0.00 C ATOM 727 NH1 ARG A 52 -8.298 -4.439 -4.535 1.00 0.00 N ATOM 728 NH2 ARG A 52 -6.884 -3.561 -6.064 1.00 0.00 N ATOM 0 H ARG A 52 -3.515 -0.117 -2.061 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.263 0.867 -1.340 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.885 -1.603 -2.159 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.701 -1.847 -0.628 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.811 -0.880 -1.625 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.987 -0.711 -3.163 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.964 -3.429 -1.805 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.414 -2.922 -2.649 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.721 -2.663 -4.043 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.612 -4.525 -3.568 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.777 -4.953 -5.274 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.092 -2.961 -6.293 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.364 -4.076 -6.802 1.00 0.00 H new ATOM 742 N VAL A 53 -4.080 -0.346 0.783 1.00 0.00 N ATOM 743 CA VAL A 53 -3.717 -0.264 2.214 1.00 0.00 C ATOM 744 C VAL A 53 -3.680 1.200 2.639 1.00 0.00 C ATOM 745 O VAL A 53 -4.040 1.536 3.747 1.00 0.00 O ATOM 746 CB VAL A 53 -2.340 -0.921 2.305 1.00 0.00 C ATOM 747 CG1 VAL A 53 -1.591 -0.432 3.548 1.00 0.00 C ATOM 748 CG2 VAL A 53 -2.538 -2.436 2.387 1.00 0.00 C ATOM 0 H VAL A 53 -3.494 -0.960 0.217 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.429 -0.761 2.873 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.750 -0.658 1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.613 -0.911 3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.463 0.649 3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.163 -0.686 4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.567 -2.927 2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.128 -2.679 3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.060 -2.783 1.496 1.00 0.00 H new ATOM 758 N TRP A 54 -3.263 2.077 1.764 1.00 0.00 N ATOM 759 CA TRP A 54 -3.228 3.519 2.134 1.00 0.00 C ATOM 760 C TRP A 54 -4.644 4.093 2.132 1.00 0.00 C ATOM 761 O TRP A 54 -5.123 4.597 3.127 1.00 0.00 O ATOM 762 CB TRP A 54 -2.384 4.219 1.069 1.00 0.00 C ATOM 763 CG TRP A 54 -2.567 5.694 1.227 1.00 0.00 C ATOM 764 CD1 TRP A 54 -3.666 6.383 0.840 1.00 0.00 C ATOM 765 CD2 TRP A 54 -1.664 6.665 1.828 1.00 0.00 C ATOM 766 NE1 TRP A 54 -3.494 7.717 1.168 1.00 0.00 N ATOM 767 CE2 TRP A 54 -2.273 7.940 1.775 1.00 0.00 C ATOM 768 CE3 TRP A 54 -0.386 6.563 2.406 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -1.639 9.074 2.279 1.00 0.00 C ATOM 770 CZ3 TRP A 54 0.258 7.705 2.914 1.00 0.00 C ATOM 771 CH2 TRP A 54 -0.368 8.958 2.851 1.00 0.00 C ATOM 0 H TRP A 54 -2.948 1.859 0.819 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.809 3.661 3.130 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.333 3.952 1.180 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.690 3.902 0.072 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.534 5.961 0.355 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.184 8.446 0.984 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.104 5.602 2.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.126 10.037 2.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.240 7.617 3.355 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.130 9.832 3.243 1.00 0.00 H new ATOM 782 N GLU A 55 -5.315 4.028 1.017 1.00 0.00 N ATOM 783 CA GLU A 55 -6.697 4.581 0.959 1.00 0.00 C ATOM 784 C GLU A 55 -7.497 4.093 2.169 1.00 0.00 C ATOM 785 O GLU A 55 -8.169 4.856 2.835 1.00 0.00 O ATOM 786 CB GLU A 55 -7.278 4.071 -0.368 1.00 0.00 C ATOM 787 CG GLU A 55 -8.043 2.769 -0.152 1.00 0.00 C ATOM 788 CD GLU A 55 -8.751 2.364 -1.444 1.00 0.00 C ATOM 789 OE1 GLU A 55 -9.774 2.957 -1.747 1.00 0.00 O ATOM 790 OE2 GLU A 55 -8.259 1.468 -2.112 1.00 0.00 O ATOM 0 H GLU A 55 -4.970 3.619 0.149 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.725 5.670 0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.942 4.823 -0.794 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.474 3.912 -1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.357 1.981 0.160 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.772 2.893 0.649 1.00 0.00 H new ATOM 797 N LEU A 56 -7.416 2.828 2.461 1.00 0.00 N ATOM 798 CA LEU A 56 -8.156 2.285 3.636 1.00 0.00 C ATOM 799 C LEU A 56 -7.417 2.668 4.928 1.00 0.00 C ATOM 800 O LEU A 56 -7.938 2.538 6.018 1.00 0.00 O ATOM 801 CB LEU A 56 -8.172 0.763 3.444 1.00 0.00 C ATOM 802 CG LEU A 56 -8.861 0.414 2.119 1.00 0.00 C ATOM 803 CD1 LEU A 56 -8.262 -0.875 1.557 1.00 0.00 C ATOM 804 CD2 LEU A 56 -10.362 0.217 2.351 1.00 0.00 C ATOM 0 H LEU A 56 -6.870 2.144 1.938 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.168 2.682 3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.153 0.376 3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.696 0.288 4.273 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.709 1.228 1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.752 -1.123 0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.195 -0.736 1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.412 -1.687 2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.847 -0.031 1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.517 -0.594 3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.792 1.136 2.750 1.00 0.00 H new ATOM 816 N SER A 57 -6.205 3.147 4.805 1.00 0.00 N ATOM 817 CA SER A 57 -5.416 3.555 6.008 1.00 0.00 C ATOM 818 C SER A 57 -5.547 5.061 6.233 1.00 0.00 C ATOM 819 O SER A 57 -5.582 5.534 7.352 1.00 0.00 O ATOM 820 CB SER A 57 -3.970 3.209 5.670 1.00 0.00 C ATOM 821 OG SER A 57 -3.105 4.014 6.456 1.00 0.00 O ATOM 0 H SER A 57 -5.724 3.274 3.915 1.00 0.00 H new ATOM 0 HA SER A 57 -5.761 3.055 6.913 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.781 2.153 5.864 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.781 3.378 4.610 1.00 0.00 H new ATOM 0 HG SER A 57 -3.350 3.931 7.401 1.00 0.00 H new ATOM 827 N ASP A 58 -5.627 5.814 5.171 1.00 0.00 N ATOM 828 CA ASP A 58 -5.765 7.290 5.305 1.00 0.00 C ATOM 829 C ASP A 58 -7.206 7.620 5.667 1.00 0.00 C ATOM 830 O ASP A 58 -8.033 7.871 4.814 1.00 0.00 O ATOM 831 CB ASP A 58 -5.403 7.855 3.932 1.00 0.00 C ATOM 832 CG ASP A 58 -4.871 9.280 4.094 1.00 0.00 C ATOM 833 OD1 ASP A 58 -5.156 9.884 5.117 1.00 0.00 O ATOM 834 OD2 ASP A 58 -4.189 9.744 3.196 1.00 0.00 O ATOM 0 H ASP A 58 -5.603 5.468 4.212 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.126 7.709 6.082 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.651 7.226 3.454 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.279 7.853 3.283 1.00 0.00 H new ATOM 839 N ILE A 59 -7.514 7.593 6.926 1.00 0.00 N ATOM 840 CA ILE A 59 -8.905 7.873 7.357 1.00 0.00 C ATOM 841 C ILE A 59 -9.427 9.167 6.731 1.00 0.00 C ATOM 842 O ILE A 59 -10.603 9.302 6.462 1.00 0.00 O ATOM 843 CB ILE A 59 -8.824 8.007 8.874 1.00 0.00 C ATOM 844 CG1 ILE A 59 -8.370 6.674 9.479 1.00 0.00 C ATOM 845 CG2 ILE A 59 -10.199 8.385 9.424 1.00 0.00 C ATOM 846 CD1 ILE A 59 -9.445 5.612 9.249 1.00 0.00 C ATOM 0 H ILE A 59 -6.859 7.388 7.681 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.592 7.086 7.046 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.106 8.784 9.137 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.430 6.359 9.025 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.184 6.792 10.547 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.143 8.481 10.508 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.516 9.334 8.991 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -10.920 7.610 9.165 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.119 4.665 9.680 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -10.374 5.926 9.724 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.609 5.486 8.179 1.00 0.00 H new ATOM 858 N ASP A 60 -8.574 10.128 6.509 1.00 0.00 N ATOM 859 CA ASP A 60 -9.061 11.408 5.916 1.00 0.00 C ATOM 860 C ASP A 60 -8.695 11.507 4.429 1.00 0.00 C ATOM 861 O ASP A 60 -9.231 12.328 3.710 1.00 0.00 O ATOM 862 CB ASP A 60 -8.384 12.512 6.732 1.00 0.00 C ATOM 863 CG ASP A 60 -6.875 12.501 6.490 1.00 0.00 C ATOM 864 OD1 ASP A 60 -6.436 11.776 5.614 1.00 0.00 O ATOM 865 OD2 ASP A 60 -6.179 13.220 7.189 1.00 0.00 O ATOM 0 H ASP A 60 -7.575 10.086 6.709 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.147 11.486 5.958 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.796 13.482 6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.590 12.368 7.793 1.00 0.00 H new ATOM 870 N HIS A 61 -7.798 10.687 3.955 1.00 0.00 N ATOM 871 CA HIS A 61 -7.424 10.755 2.509 1.00 0.00 C ATOM 872 C HIS A 61 -6.777 12.108 2.206 1.00 0.00 C ATOM 873 O HIS A 61 -7.081 12.745 1.218 1.00 0.00 O ATOM 874 CB HIS A 61 -8.738 10.618 1.719 1.00 0.00 C ATOM 875 CG HIS A 61 -9.735 9.782 2.479 1.00 0.00 C ATOM 876 ND1 HIS A 61 -10.983 10.268 2.838 1.00 0.00 N ATOM 877 CD2 HIS A 61 -9.684 8.495 2.955 1.00 0.00 C ATOM 878 CE1 HIS A 61 -11.627 9.289 3.498 1.00 0.00 C ATOM 879 NE2 HIS A 61 -10.880 8.186 3.598 1.00 0.00 N ATOM 0 H HIS A 61 -7.309 9.977 4.500 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.714 9.973 2.242 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -9.157 11.606 1.527 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.539 10.162 0.749 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -8.844 7.825 2.847 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -12.626 9.383 3.898 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -11.132 7.306 4.049 1.00 0.00 H new ATOM 887 N ASP A 62 -5.898 12.558 3.056 1.00 0.00 N ATOM 888 CA ASP A 62 -5.244 13.877 2.824 1.00 0.00 C ATOM 889 C ASP A 62 -3.786 13.687 2.392 1.00 0.00 C ATOM 890 O ASP A 62 -2.994 14.609 2.433 1.00 0.00 O ATOM 891 CB ASP A 62 -5.319 14.585 4.178 1.00 0.00 C ATOM 892 CG ASP A 62 -4.282 13.987 5.133 1.00 0.00 C ATOM 893 OD1 ASP A 62 -4.241 12.772 5.248 1.00 0.00 O ATOM 894 OD2 ASP A 62 -3.550 14.754 5.736 1.00 0.00 O ATOM 0 H ASP A 62 -5.603 12.070 3.902 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.728 14.447 2.031 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.138 15.652 4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.319 14.479 4.599 1.00 0.00 H new ATOM 899 N GLY A 63 -3.422 12.501 1.989 1.00 0.00 N ATOM 900 CA GLY A 63 -2.016 12.263 1.568 1.00 0.00 C ATOM 901 C GLY A 63 -1.155 12.077 2.817 1.00 0.00 C ATOM 902 O GLY A 63 0.057 12.029 2.749 1.00 0.00 O ATOM 0 H GLY A 63 -4.037 11.689 1.934 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.956 11.379 0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.650 13.104 0.979 1.00 0.00 H new ATOM 906 N MET A 64 -1.776 11.985 3.963 1.00 0.00 N ATOM 907 CA MET A 64 -1.005 11.816 5.220 1.00 0.00 C ATOM 908 C MET A 64 -1.734 10.861 6.172 1.00 0.00 C ATOM 909 O MET A 64 -2.915 10.615 6.034 1.00 0.00 O ATOM 910 CB MET A 64 -0.936 13.217 5.812 1.00 0.00 C ATOM 911 CG MET A 64 0.424 13.817 5.501 1.00 0.00 C ATOM 912 SD MET A 64 0.501 15.523 6.087 1.00 0.00 S ATOM 913 CE MET A 64 2.295 15.586 6.314 1.00 0.00 C ATOM 0 H MET A 64 -2.789 12.020 4.079 1.00 0.00 H new ATOM 0 HA MET A 64 -0.017 11.388 5.050 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.727 13.841 5.396 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.093 13.179 6.890 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.207 13.226 5.975 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.607 13.785 4.427 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.532 16.222 7.167 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.674 14.580 6.495 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.761 15.993 5.417 1.00 0.00 H new ATOM 923 N LEU A 65 -1.033 10.312 7.129 1.00 0.00 N ATOM 924 CA LEU A 65 -1.682 9.364 8.082 1.00 0.00 C ATOM 925 C LEU A 65 -1.426 9.791 9.535 1.00 0.00 C ATOM 926 O LEU A 65 -0.298 9.863 9.977 1.00 0.00 O ATOM 927 CB LEU A 65 -1.000 8.019 7.819 1.00 0.00 C ATOM 928 CG LEU A 65 -1.513 7.418 6.513 1.00 0.00 C ATOM 929 CD1 LEU A 65 -0.572 6.295 6.067 1.00 0.00 C ATOM 930 CD2 LEU A 65 -2.918 6.855 6.734 1.00 0.00 C ATOM 0 H LEU A 65 -0.040 10.479 7.292 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.762 9.328 7.942 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.080 8.154 7.767 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.196 7.335 8.645 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.548 8.188 5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.936 5.864 5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.429 6.698 5.914 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.538 5.522 6.835 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.288 6.425 5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.884 6.083 7.502 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.585 7.656 7.054 1.00 0.00 H new ATOM 942 N ASP A 66 -2.461 10.055 10.288 1.00 0.00 N ATOM 943 CA ASP A 66 -2.256 10.446 11.712 1.00 0.00 C ATOM 944 C ASP A 66 -1.754 9.239 12.500 1.00 0.00 C ATOM 945 O ASP A 66 -1.841 8.113 12.051 1.00 0.00 O ATOM 946 CB ASP A 66 -3.631 10.861 12.226 1.00 0.00 C ATOM 947 CG ASP A 66 -3.477 11.877 13.358 1.00 0.00 C ATOM 948 OD1 ASP A 66 -2.470 11.826 14.043 1.00 0.00 O ATOM 949 OD2 ASP A 66 -4.376 12.684 13.527 1.00 0.00 O ATOM 0 H ASP A 66 -3.433 10.017 9.981 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.526 11.249 11.817 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.217 11.293 11.415 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.175 9.986 12.582 1.00 0.00 H new ATOM 954 N ARG A 67 -1.233 9.460 13.669 1.00 0.00 N ATOM 955 CA ARG A 67 -0.731 8.317 14.486 1.00 0.00 C ATOM 956 C ARG A 67 -1.749 7.172 14.488 1.00 0.00 C ATOM 957 O ARG A 67 -1.392 6.010 14.514 1.00 0.00 O ATOM 958 CB ARG A 67 -0.566 8.884 15.894 1.00 0.00 C ATOM 959 CG ARG A 67 -1.942 9.084 16.532 1.00 0.00 C ATOM 960 CD ARG A 67 -1.836 10.093 17.679 1.00 0.00 C ATOM 961 NE ARG A 67 -0.737 9.589 18.546 1.00 0.00 N ATOM 962 CZ ARG A 67 0.021 10.432 19.193 1.00 0.00 C ATOM 963 NH1 ARG A 67 -0.486 11.543 19.654 1.00 0.00 N ATOM 964 NH2 ARG A 67 1.286 10.167 19.375 1.00 0.00 N ATOM 0 H ARG A 67 -1.131 10.380 14.098 1.00 0.00 H new ATOM 0 HA ARG A 67 0.201 7.910 14.094 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.033 8.206 16.502 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.031 9.833 15.854 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.652 9.440 15.785 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.323 8.133 16.905 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.614 11.092 17.304 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.773 10.160 18.231 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.576 8.586 18.635 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.474 11.752 19.509 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.106 12.202 20.160 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.683 9.301 19.012 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.878 10.826 19.881 1.00 0.00 H new ATOM 978 N ASP A 68 -3.015 7.491 14.463 1.00 0.00 N ATOM 979 CA ASP A 68 -4.060 6.427 14.470 1.00 0.00 C ATOM 980 C ASP A 68 -4.332 5.950 13.047 1.00 0.00 C ATOM 981 O ASP A 68 -4.631 4.795 12.814 1.00 0.00 O ATOM 982 CB ASP A 68 -5.302 7.093 15.062 1.00 0.00 C ATOM 983 CG ASP A 68 -4.906 7.918 16.288 1.00 0.00 C ATOM 984 OD1 ASP A 68 -4.272 7.364 17.171 1.00 0.00 O ATOM 985 OD2 ASP A 68 -5.242 9.090 16.321 1.00 0.00 O ATOM 0 H ASP A 68 -3.372 8.446 14.438 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.757 5.552 15.045 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.774 7.734 14.317 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.035 6.336 15.342 1.00 0.00 H new ATOM 990 N GLU A 69 -4.218 6.824 12.088 1.00 0.00 N ATOM 991 CA GLU A 69 -4.457 6.406 10.679 1.00 0.00 C ATOM 992 C GLU A 69 -3.308 5.521 10.229 1.00 0.00 C ATOM 993 O GLU A 69 -3.500 4.499 9.600 1.00 0.00 O ATOM 994 CB GLU A 69 -4.477 7.694 9.869 1.00 0.00 C ATOM 995 CG GLU A 69 -5.518 8.638 10.456 1.00 0.00 C ATOM 996 CD GLU A 69 -5.952 9.647 9.391 1.00 0.00 C ATOM 997 OE1 GLU A 69 -6.103 9.245 8.249 1.00 0.00 O ATOM 998 OE2 GLU A 69 -6.122 10.806 9.734 1.00 0.00 O ATOM 0 H GLU A 69 -3.971 7.805 12.217 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.385 5.847 10.558 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.493 8.163 9.885 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.711 7.479 8.826 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.380 8.072 10.808 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.105 9.160 11.319 1.00 0.00 H new ATOM 1005 N PHE A 70 -2.109 5.899 10.567 1.00 0.00 N ATOM 1006 CA PHE A 70 -0.951 5.067 10.179 1.00 0.00 C ATOM 1007 C PHE A 70 -1.131 3.684 10.786 1.00 0.00 C ATOM 1008 O PHE A 70 -0.743 2.691 10.217 1.00 0.00 O ATOM 1009 CB PHE A 70 0.270 5.763 10.777 1.00 0.00 C ATOM 1010 CG PHE A 70 1.523 5.168 10.184 1.00 0.00 C ATOM 1011 CD1 PHE A 70 2.035 5.671 8.983 1.00 0.00 C ATOM 1012 CD2 PHE A 70 2.169 4.106 10.830 1.00 0.00 C ATOM 1013 CE1 PHE A 70 3.191 5.113 8.427 1.00 0.00 C ATOM 1014 CE2 PHE A 70 3.327 3.549 10.277 1.00 0.00 C ATOM 1015 CZ PHE A 70 3.837 4.054 9.074 1.00 0.00 C ATOM 0 H PHE A 70 -1.886 6.744 11.092 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.846 4.955 9.100 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.230 6.833 10.572 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.275 5.646 11.861 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.538 6.490 8.485 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.773 3.717 11.756 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.585 5.500 7.499 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.826 2.732 10.776 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.731 3.625 8.645 1.00 0.00 H new ATOM 1025 N ALA A 71 -1.743 3.621 11.936 1.00 0.00 N ATOM 1026 CA ALA A 71 -1.967 2.301 12.593 1.00 0.00 C ATOM 1027 C ALA A 71 -2.753 1.377 11.664 1.00 0.00 C ATOM 1028 O ALA A 71 -2.403 0.228 11.455 1.00 0.00 O ATOM 1029 CB ALA A 71 -2.791 2.621 13.842 1.00 0.00 C ATOM 0 H ALA A 71 -2.098 4.427 12.450 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.032 1.794 12.833 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.000 1.700 14.386 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.231 3.301 14.483 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.730 3.090 13.548 1.00 0.00 H new ATOM 1035 N VAL A 72 -3.819 1.876 11.113 1.00 0.00 N ATOM 1036 CA VAL A 72 -4.651 1.042 10.205 1.00 0.00 C ATOM 1037 C VAL A 72 -3.828 0.560 9.004 1.00 0.00 C ATOM 1038 O VAL A 72 -4.118 -0.460 8.408 1.00 0.00 O ATOM 1039 CB VAL A 72 -5.779 1.970 9.749 1.00 0.00 C ATOM 1040 CG1 VAL A 72 -6.673 1.238 8.747 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -6.616 2.397 10.963 1.00 0.00 C ATOM 0 H VAL A 72 -4.153 2.830 11.252 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.028 0.146 10.699 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.350 2.853 9.275 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.476 1.901 8.424 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.081 0.937 7.883 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.101 0.354 9.219 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.419 3.058 10.637 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.043 1.514 11.439 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.981 2.922 11.676 1.00 0.00 H new ATOM 1051 N ALA A 73 -2.813 1.291 8.636 1.00 0.00 N ATOM 1052 CA ALA A 73 -1.988 0.880 7.462 1.00 0.00 C ATOM 1053 C ALA A 73 -0.870 -0.083 7.865 1.00 0.00 C ATOM 1054 O ALA A 73 -0.159 -0.593 7.025 1.00 0.00 O ATOM 1055 CB ALA A 73 -1.389 2.181 6.933 1.00 0.00 C ATOM 0 H ALA A 73 -2.518 2.153 9.095 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.590 0.355 6.720 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.765 1.968 6.065 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.191 2.860 6.645 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.782 2.645 7.711 1.00 0.00 H new ATOM 1061 N MET A 74 -0.690 -0.338 9.130 1.00 0.00 N ATOM 1062 CA MET A 74 0.409 -1.267 9.523 1.00 0.00 C ATOM 1063 C MET A 74 -0.110 -2.699 9.577 1.00 0.00 C ATOM 1064 O MET A 74 0.543 -3.620 9.128 1.00 0.00 O ATOM 1065 CB MET A 74 0.894 -0.801 10.901 1.00 0.00 C ATOM 1066 CG MET A 74 1.024 0.733 10.961 1.00 0.00 C ATOM 1067 SD MET A 74 1.473 1.426 9.339 1.00 0.00 S ATOM 1068 CE MET A 74 3.053 0.578 9.136 1.00 0.00 C ATOM 0 H MET A 74 -1.243 0.047 9.896 1.00 0.00 H new ATOM 0 HA MET A 74 1.227 -1.253 8.802 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.197 -1.139 11.667 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.858 -1.259 11.123 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.081 1.167 11.295 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.780 1.007 11.697 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.803 1.286 8.782 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.369 0.163 10.093 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.943 -0.227 8.410 1.00 0.00 H new ATOM 1078 N PHE A 75 -1.283 -2.902 10.096 1.00 0.00 N ATOM 1079 CA PHE A 75 -1.820 -4.286 10.135 1.00 0.00 C ATOM 1080 C PHE A 75 -2.373 -4.631 8.750 1.00 0.00 C ATOM 1081 O PHE A 75 -2.553 -5.782 8.404 1.00 0.00 O ATOM 1082 CB PHE A 75 -2.906 -4.284 11.219 1.00 0.00 C ATOM 1083 CG PHE A 75 -4.231 -3.874 10.637 1.00 0.00 C ATOM 1084 CD1 PHE A 75 -5.041 -4.823 10.004 1.00 0.00 C ATOM 1085 CD2 PHE A 75 -4.648 -2.545 10.731 1.00 0.00 C ATOM 1086 CE1 PHE A 75 -6.273 -4.440 9.464 1.00 0.00 C ATOM 1087 CE2 PHE A 75 -5.875 -2.161 10.192 1.00 0.00 C ATOM 1088 CZ PHE A 75 -6.690 -3.107 9.557 1.00 0.00 C ATOM 0 H PHE A 75 -1.887 -2.181 10.490 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.068 -5.038 10.374 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.988 -5.277 11.662 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.627 -3.600 12.020 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.715 -5.850 9.932 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.021 -1.815 11.221 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.901 -5.171 8.976 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.198 -1.133 10.264 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.640 -2.808 9.139 1.00 0.00 H new ATOM 1098 N LEU A 76 -2.610 -3.628 7.941 1.00 0.00 N ATOM 1099 CA LEU A 76 -3.111 -3.880 6.561 1.00 0.00 C ATOM 1100 C LEU A 76 -1.924 -4.214 5.659 1.00 0.00 C ATOM 1101 O LEU A 76 -2.067 -4.827 4.618 1.00 0.00 O ATOM 1102 CB LEU A 76 -3.780 -2.573 6.128 1.00 0.00 C ATOM 1103 CG LEU A 76 -5.293 -2.683 6.339 1.00 0.00 C ATOM 1104 CD1 LEU A 76 -5.954 -1.342 6.017 1.00 0.00 C ATOM 1105 CD2 LEU A 76 -5.860 -3.765 5.415 1.00 0.00 C ATOM 0 H LEU A 76 -2.477 -2.645 8.180 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.812 -4.713 6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.381 -1.739 6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.562 -2.369 5.080 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.495 -2.947 7.377 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.031 -1.422 6.168 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.552 -0.571 6.674 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.751 -1.076 4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.937 -3.844 5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.656 -3.501 4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.391 -4.722 5.644 1.00 0.00 H new ATOM 1117 N VAL A 77 -0.745 -3.826 6.068 1.00 0.00 N ATOM 1118 CA VAL A 77 0.469 -4.125 5.262 1.00 0.00 C ATOM 1119 C VAL A 77 1.065 -5.458 5.704 1.00 0.00 C ATOM 1120 O VAL A 77 1.478 -6.262 4.895 1.00 0.00 O ATOM 1121 CB VAL A 77 1.434 -2.971 5.556 1.00 0.00 C ATOM 1122 CG1 VAL A 77 2.802 -3.262 4.929 1.00 0.00 C ATOM 1123 CG2 VAL A 77 0.873 -1.682 4.958 1.00 0.00 C ATOM 0 H VAL A 77 -0.573 -3.312 6.932 1.00 0.00 H new ATOM 0 HA VAL A 77 0.256 -4.208 4.196 1.00 0.00 H new ATOM 0 HB VAL A 77 1.547 -2.863 6.635 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.483 -2.438 5.142 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.206 -4.184 5.348 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.692 -3.372 3.850 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.556 -0.858 5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.761 -1.799 3.880 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.099 -1.468 5.402 1.00 0.00 H new ATOM 1133 N TYR A 78 1.108 -5.700 6.985 1.00 0.00 N ATOM 1134 CA TYR A 78 1.676 -6.986 7.477 1.00 0.00 C ATOM 1135 C TYR A 78 0.726 -8.140 7.151 1.00 0.00 C ATOM 1136 O TYR A 78 1.125 -9.285 7.092 1.00 0.00 O ATOM 1137 CB TYR A 78 1.820 -6.810 8.988 1.00 0.00 C ATOM 1138 CG TYR A 78 3.235 -6.390 9.303 1.00 0.00 C ATOM 1139 CD1 TYR A 78 4.312 -7.173 8.868 1.00 0.00 C ATOM 1140 CD2 TYR A 78 3.471 -5.214 10.024 1.00 0.00 C ATOM 1141 CE1 TYR A 78 5.626 -6.778 9.155 1.00 0.00 C ATOM 1142 CE2 TYR A 78 4.783 -4.819 10.312 1.00 0.00 C ATOM 1143 CZ TYR A 78 5.861 -5.601 9.877 1.00 0.00 C ATOM 1144 OH TYR A 78 7.155 -5.209 10.159 1.00 0.00 O ATOM 0 H TYR A 78 0.775 -5.065 7.710 1.00 0.00 H new ATOM 0 HA TYR A 78 2.631 -7.222 7.008 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.116 -6.060 9.348 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.582 -7.742 9.500 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.130 -8.081 8.312 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.640 -4.611 10.359 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.457 -7.381 8.820 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.964 -3.912 10.869 1.00 0.00 H new ATOM 0 HH TYR A 78 7.140 -4.370 10.666 1.00 0.00 H new ATOM 1154 N CYS A 79 -0.524 -7.846 6.922 1.00 0.00 N ATOM 1155 CA CYS A 79 -1.490 -8.927 6.584 1.00 0.00 C ATOM 1156 C CYS A 79 -1.352 -9.275 5.104 1.00 0.00 C ATOM 1157 O CYS A 79 -1.817 -10.302 4.649 1.00 0.00 O ATOM 1158 CB CYS A 79 -2.870 -8.341 6.879 1.00 0.00 C ATOM 1159 SG CYS A 79 -4.072 -9.686 7.041 1.00 0.00 S ATOM 0 H CYS A 79 -0.917 -6.905 6.954 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.320 -9.841 7.153 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.839 -7.753 7.797 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.169 -7.665 6.078 1.00 0.00 H new ATOM 0 HG CYS A 79 -5.247 -9.190 7.294 1.00 0.00 H new ATOM 1165 N ALA A 80 -0.703 -8.429 4.353 1.00 0.00 N ATOM 1166 CA ALA A 80 -0.515 -8.711 2.906 1.00 0.00 C ATOM 1167 C ALA A 80 0.783 -9.488 2.706 1.00 0.00 C ATOM 1168 O ALA A 80 1.034 -10.048 1.657 1.00 0.00 O ATOM 1169 CB ALA A 80 -0.431 -7.341 2.236 1.00 0.00 C ATOM 0 H ALA A 80 -0.295 -7.554 4.681 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.323 -9.310 2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.292 -7.469 1.163 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.353 -6.789 2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.412 -6.786 2.648 1.00 0.00 H new ATOM 1175 N LEU A 81 1.608 -9.528 3.715 1.00 0.00 N ATOM 1176 CA LEU A 81 2.894 -10.273 3.599 1.00 0.00 C ATOM 1177 C LEU A 81 2.683 -11.711 4.053 1.00 0.00 C ATOM 1178 O LEU A 81 3.282 -12.635 3.540 1.00 0.00 O ATOM 1179 CB LEU A 81 3.868 -9.556 4.538 1.00 0.00 C ATOM 1180 CG LEU A 81 3.708 -8.036 4.430 1.00 0.00 C ATOM 1181 CD1 LEU A 81 5.032 -7.365 4.796 1.00 0.00 C ATOM 1182 CD2 LEU A 81 3.320 -7.639 3.000 1.00 0.00 C ATOM 0 H LEU A 81 1.448 -9.077 4.616 1.00 0.00 H new ATOM 0 HA LEU A 81 3.271 -10.297 2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.690 -9.873 5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.892 -9.837 4.291 1.00 0.00 H new ATOM 0 HG LEU A 81 2.921 -7.713 5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.924 -6.283 4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.306 -7.633 5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.811 -7.700 4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.210 -6.556 2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.098 -7.964 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.376 -8.115 2.734 1.00 0.00 H new ATOM 1194 N GLU A 82 1.825 -11.900 5.012 1.00 0.00 N ATOM 1195 CA GLU A 82 1.556 -13.270 5.507 1.00 0.00 C ATOM 1196 C GLU A 82 0.797 -14.059 4.446 1.00 0.00 C ATOM 1197 O GLU A 82 1.199 -15.135 4.051 1.00 0.00 O ATOM 1198 CB GLU A 82 0.696 -13.081 6.757 1.00 0.00 C ATOM 1199 CG GLU A 82 0.238 -14.447 7.272 1.00 0.00 C ATOM 1200 CD GLU A 82 1.459 -15.299 7.619 1.00 0.00 C ATOM 1201 OE1 GLU A 82 2.492 -14.724 7.920 1.00 0.00 O ATOM 1202 OE2 GLU A 82 1.342 -16.511 7.575 1.00 0.00 O ATOM 0 H GLU A 82 1.297 -11.160 5.475 1.00 0.00 H new ATOM 0 HA GLU A 82 2.470 -13.822 5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.265 -12.562 7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.169 -12.459 6.526 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.393 -14.322 8.152 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.365 -14.949 6.515 1.00 0.00 H new ATOM 1209 N LYS A 83 -0.300 -13.534 3.976 1.00 0.00 N ATOM 1210 CA LYS A 83 -1.069 -14.272 2.933 1.00 0.00 C ATOM 1211 C LYS A 83 -2.377 -13.565 2.549 1.00 0.00 C ATOM 1212 O LYS A 83 -2.966 -13.868 1.529 1.00 0.00 O ATOM 1213 CB LYS A 83 -1.377 -15.621 3.566 1.00 0.00 C ATOM 1214 CG LYS A 83 -0.820 -16.740 2.686 1.00 0.00 C ATOM 1215 CD LYS A 83 -0.861 -18.058 3.460 1.00 0.00 C ATOM 1216 CE LYS A 83 0.462 -18.803 3.274 1.00 0.00 C ATOM 1217 NZ LYS A 83 0.072 -20.174 2.847 1.00 0.00 N ATOM 0 H LYS A 83 -0.694 -12.638 4.263 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.494 -14.345 2.010 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.938 -15.675 4.562 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.454 -15.741 3.685 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.405 -16.824 1.770 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.204 -16.510 2.390 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.036 -17.865 4.518 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.689 -18.673 3.108 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.086 -18.318 2.524 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.036 -18.826 4.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.927 -20.748 2.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.516 -20.613 3.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.467 -20.121 1.959 1.00 0.00 H new ATOM 1231 N GLU A 84 -2.866 -12.660 3.354 1.00 0.00 N ATOM 1232 CA GLU A 84 -4.163 -11.999 3.009 1.00 0.00 C ATOM 1233 C GLU A 84 -3.939 -10.633 2.354 1.00 0.00 C ATOM 1234 O GLU A 84 -3.324 -9.761 2.931 1.00 0.00 O ATOM 1235 CB GLU A 84 -4.892 -11.841 4.342 1.00 0.00 C ATOM 1236 CG GLU A 84 -5.394 -13.208 4.811 1.00 0.00 C ATOM 1237 CD GLU A 84 -6.228 -13.853 3.701 1.00 0.00 C ATOM 1238 OE1 GLU A 84 -7.179 -13.227 3.261 1.00 0.00 O ATOM 1239 OE2 GLU A 84 -5.901 -14.961 3.310 1.00 0.00 O ATOM 0 H GLU A 84 -2.433 -12.351 4.224 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.733 -12.588 2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.222 -11.412 5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.729 -11.152 4.232 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.550 -13.849 5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.994 -13.097 5.714 1.00 0.00 H new ATOM 1246 N PRO A 85 -4.468 -10.491 1.165 1.00 0.00 N ATOM 1247 CA PRO A 85 -4.339 -9.214 0.421 1.00 0.00 C ATOM 1248 C PRO A 85 -5.241 -8.145 1.043 1.00 0.00 C ATOM 1249 O PRO A 85 -5.753 -8.308 2.133 1.00 0.00 O ATOM 1250 CB PRO A 85 -4.811 -9.570 -0.987 1.00 0.00 C ATOM 1251 CG PRO A 85 -5.711 -10.749 -0.807 1.00 0.00 C ATOM 1252 CD PRO A 85 -5.227 -11.495 0.410 1.00 0.00 C ATOM 0 HA PRO A 85 -3.328 -8.808 0.436 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -5.340 -8.736 -1.448 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.969 -9.812 -1.636 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -6.744 -10.428 -0.676 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -5.686 -11.391 -1.688 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.059 -11.888 0.994 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.601 -12.344 0.135 1.00 0.00 H new ATOM 1260 N VAL A 86 -5.436 -7.051 0.361 1.00 0.00 N ATOM 1261 CA VAL A 86 -6.302 -5.971 0.917 1.00 0.00 C ATOM 1262 C VAL A 86 -7.335 -5.524 -0.124 1.00 0.00 C ATOM 1263 O VAL A 86 -7.027 -5.416 -1.294 1.00 0.00 O ATOM 1264 CB VAL A 86 -5.339 -4.829 1.241 1.00 0.00 C ATOM 1265 CG1 VAL A 86 -6.115 -3.664 1.856 1.00 0.00 C ATOM 1266 CG2 VAL A 86 -4.284 -5.317 2.237 1.00 0.00 C ATOM 0 H VAL A 86 -5.034 -6.857 -0.556 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.862 -6.299 1.793 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.850 -4.498 0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.427 -2.850 2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.867 -3.314 1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.605 -3.996 2.772 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.597 -4.503 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.774 -5.649 3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.728 -6.147 1.801 1.00 0.00 H new ATOM 1276 N PRO A 87 -8.531 -5.275 0.343 1.00 0.00 N ATOM 1277 CA PRO A 87 -9.625 -4.827 -0.544 1.00 0.00 C ATOM 1278 C PRO A 87 -9.591 -3.301 -0.696 1.00 0.00 C ATOM 1279 O PRO A 87 -8.645 -2.650 -0.302 1.00 0.00 O ATOM 1280 CB PRO A 87 -10.880 -5.264 0.203 1.00 0.00 C ATOM 1281 CG PRO A 87 -10.486 -5.335 1.651 1.00 0.00 C ATOM 1282 CD PRO A 87 -8.977 -5.397 1.731 1.00 0.00 C ATOM 0 HA PRO A 87 -9.563 -5.239 -1.551 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -11.693 -4.553 0.053 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.232 -6.231 -0.155 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -10.859 -4.464 2.189 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -10.927 -6.213 2.122 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.579 -4.591 2.348 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.641 -6.334 2.175 1.00 0.00 H new ATOM 1290 N MET A 88 -10.620 -2.730 -1.260 1.00 0.00 N ATOM 1291 CA MET A 88 -10.649 -1.246 -1.432 1.00 0.00 C ATOM 1292 C MET A 88 -11.743 -0.627 -0.575 1.00 0.00 C ATOM 1293 O MET A 88 -12.047 0.543 -0.702 1.00 0.00 O ATOM 1294 CB MET A 88 -11.028 -1.005 -2.880 1.00 0.00 C ATOM 1295 CG MET A 88 -9.817 -1.193 -3.785 1.00 0.00 C ATOM 1296 SD MET A 88 -10.161 -0.465 -5.407 1.00 0.00 S ATOM 1297 CE MET A 88 -8.962 0.887 -5.309 1.00 0.00 C ATOM 0 H MET A 88 -11.441 -3.224 -1.609 1.00 0.00 H new ATOM 0 HA MET A 88 -9.688 -0.814 -1.152 1.00 0.00 H new ATOM 0 HB2 MET A 88 -11.820 -1.693 -3.174 1.00 0.00 H new ATOM 0 HB3 MET A 88 -11.423 0.004 -2.996 1.00 0.00 H new ATOM 0 HG2 MET A 88 -8.940 -0.722 -3.341 1.00 0.00 H new ATOM 0 HG3 MET A 88 -9.589 -2.254 -3.891 1.00 0.00 H new ATOM 0 HE1 MET A 88 -8.966 1.446 -6.245 1.00 0.00 H new ATOM 0 HE2 MET A 88 -9.230 1.552 -4.488 1.00 0.00 H new ATOM 0 HE3 MET A 88 -7.967 0.479 -5.135 1.00 0.00 H new ATOM 1307 N SER A 89 -12.377 -1.394 0.254 1.00 0.00 N ATOM 1308 CA SER A 89 -13.485 -0.811 1.050 1.00 0.00 C ATOM 1309 C SER A 89 -13.171 -0.784 2.530 1.00 0.00 C ATOM 1310 O SER A 89 -13.232 -1.783 3.215 1.00 0.00 O ATOM 1311 CB SER A 89 -14.675 -1.711 0.792 1.00 0.00 C ATOM 1312 OG SER A 89 -15.295 -1.342 -0.434 1.00 0.00 O ATOM 0 H SER A 89 -12.183 -2.382 0.416 1.00 0.00 H new ATOM 0 HA SER A 89 -13.665 0.224 0.760 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.354 -2.752 0.750 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.389 -1.630 1.611 1.00 0.00 H new ATOM 0 HG SER A 89 -16.064 -1.926 -0.601 1.00 0.00 H new ATOM 1318 N LEU A 90 -12.857 0.365 3.021 1.00 0.00 N ATOM 1319 CA LEU A 90 -12.555 0.494 4.471 1.00 0.00 C ATOM 1320 C LEU A 90 -13.777 0.069 5.283 1.00 0.00 C ATOM 1321 O LEU A 90 -14.769 0.769 5.323 1.00 0.00 O ATOM 1322 CB LEU A 90 -12.258 1.978 4.687 1.00 0.00 C ATOM 1323 CG LEU A 90 -10.884 2.128 5.335 1.00 0.00 C ATOM 1324 CD1 LEU A 90 -10.506 3.609 5.399 1.00 0.00 C ATOM 1325 CD2 LEU A 90 -10.925 1.556 6.751 1.00 0.00 C ATOM 0 H LEU A 90 -12.794 1.230 2.485 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.719 -0.132 4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -12.284 2.508 3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -13.023 2.425 5.322 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.144 1.589 4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.525 3.714 5.862 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.478 4.021 4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -11.246 4.148 5.990 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.944 1.662 7.215 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -11.666 2.096 7.340 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.194 0.501 6.709 1.00 0.00 H new ATOM 1337 N PRO A 91 -13.668 -1.074 5.904 1.00 0.00 N ATOM 1338 CA PRO A 91 -14.788 -1.598 6.723 1.00 0.00 C ATOM 1339 C PRO A 91 -15.013 -0.695 7.939 1.00 0.00 C ATOM 1340 O PRO A 91 -14.206 0.164 8.231 1.00 0.00 O ATOM 1341 CB PRO A 91 -14.315 -2.996 7.120 1.00 0.00 C ATOM 1342 CG PRO A 91 -12.826 -2.930 7.033 1.00 0.00 C ATOM 1343 CD PRO A 91 -12.508 -1.971 5.916 1.00 0.00 C ATOM 0 HA PRO A 91 -15.744 -1.627 6.200 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.642 -3.254 8.127 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -14.718 -3.756 6.450 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -12.397 -2.586 7.974 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -12.405 -3.915 6.831 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -11.581 -1.428 6.103 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -12.389 -2.488 4.964 1.00 0.00 H new ATOM 1351 N PRO A 92 -16.124 -0.902 8.590 1.00 0.00 N ATOM 1352 CA PRO A 92 -16.482 -0.075 9.769 1.00 0.00 C ATOM 1353 C PRO A 92 -15.603 -0.404 10.976 1.00 0.00 C ATOM 1354 O PRO A 92 -15.591 0.314 11.957 1.00 0.00 O ATOM 1355 CB PRO A 92 -17.935 -0.453 10.041 1.00 0.00 C ATOM 1356 CG PRO A 92 -18.094 -1.822 9.459 1.00 0.00 C ATOM 1357 CD PRO A 92 -17.138 -1.920 8.298 1.00 0.00 C ATOM 0 HA PRO A 92 -16.340 0.990 9.588 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -18.150 -0.451 11.110 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -18.621 0.256 9.576 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -17.875 -2.586 10.205 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -19.120 -1.984 9.129 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -16.697 -2.914 8.226 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -17.639 -1.724 7.350 1.00 0.00 H new ATOM 1365 N ALA A 93 -14.870 -1.475 10.920 1.00 0.00 N ATOM 1366 CA ALA A 93 -14.001 -1.829 12.075 1.00 0.00 C ATOM 1367 C ALA A 93 -12.647 -1.132 11.947 1.00 0.00 C ATOM 1368 O ALA A 93 -11.765 -1.323 12.757 1.00 0.00 O ATOM 1369 CB ALA A 93 -13.831 -3.346 11.997 1.00 0.00 C ATOM 0 H ALA A 93 -14.833 -2.119 10.130 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.433 -1.517 13.026 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.200 -3.684 12.819 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.807 -3.826 12.068 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -13.365 -3.612 11.048 1.00 0.00 H new ATOM 1375 N LEU A 94 -12.470 -0.330 10.933 1.00 0.00 N ATOM 1376 CA LEU A 94 -11.162 0.363 10.760 1.00 0.00 C ATOM 1377 C LEU A 94 -11.283 1.855 11.083 1.00 0.00 C ATOM 1378 O LEU A 94 -10.321 2.593 10.997 1.00 0.00 O ATOM 1379 CB LEU A 94 -10.807 0.178 9.285 1.00 0.00 C ATOM 1380 CG LEU A 94 -9.920 -1.053 9.116 1.00 0.00 C ATOM 1381 CD1 LEU A 94 -8.700 -0.934 10.029 1.00 0.00 C ATOM 1382 CD2 LEU A 94 -10.714 -2.305 9.485 1.00 0.00 C ATOM 0 H LEU A 94 -13.170 -0.125 10.220 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.403 -0.044 11.428 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -11.716 0.066 8.694 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.291 1.063 8.912 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.590 -1.124 8.080 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.067 -1.813 9.908 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.134 -0.041 9.765 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.027 -0.863 11.066 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.082 -3.185 9.365 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -11.044 -2.234 10.521 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.583 -2.390 8.832 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.450 2.313 11.442 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.607 3.765 11.752 1.00 0.00 C ATOM 1396 C VAL A 95 -12.674 3.991 13.264 1.00 0.00 C ATOM 1397 O VAL A 95 -13.587 3.528 13.920 1.00 0.00 O ATOM 1398 CB VAL A 95 -13.926 4.175 11.096 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -14.154 5.675 11.303 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.867 3.871 9.598 1.00 0.00 C ATOM 0 H VAL A 95 -13.297 1.752 11.534 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.765 4.350 11.383 1.00 0.00 H new ATOM 0 HB VAL A 95 -14.746 3.616 11.548 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -15.094 5.968 10.836 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -14.196 5.893 12.370 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -13.334 6.233 10.851 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -14.807 4.163 9.130 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.048 4.429 9.145 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -13.704 2.804 9.450 1.00 0.00 H new ATOM 1410 N PRO A 96 -11.708 4.713 13.765 1.00 0.00 N ATOM 1411 CA PRO A 96 -11.665 5.021 15.216 1.00 0.00 C ATOM 1412 C PRO A 96 -12.799 5.985 15.585 1.00 0.00 C ATOM 1413 O PRO A 96 -13.502 6.474 14.723 1.00 0.00 O ATOM 1414 CB PRO A 96 -10.297 5.674 15.403 1.00 0.00 C ATOM 1415 CG PRO A 96 -9.948 6.223 14.056 1.00 0.00 C ATOM 1416 CD PRO A 96 -10.576 5.306 13.041 1.00 0.00 C ATOM 0 HA PRO A 96 -11.796 4.145 15.851 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -10.335 6.463 16.154 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -9.555 4.949 15.739 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -10.323 7.240 13.943 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.867 6.265 13.923 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -10.907 5.852 12.158 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -9.875 4.544 12.701 1.00 0.00 H new ATOM 1424 N PRO A 97 -12.943 6.218 16.861 1.00 0.00 N ATOM 1425 CA PRO A 97 -14.009 7.126 17.354 1.00 0.00 C ATOM 1426 C PRO A 97 -13.668 8.585 17.049 1.00 0.00 C ATOM 1427 O PRO A 97 -14.530 9.443 17.045 1.00 0.00 O ATOM 1428 CB PRO A 97 -14.026 6.871 18.859 1.00 0.00 C ATOM 1429 CG PRO A 97 -12.657 6.364 19.184 1.00 0.00 C ATOM 1430 CD PRO A 97 -12.135 5.666 17.954 1.00 0.00 C ATOM 0 HA PRO A 97 -14.975 6.944 16.882 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -14.250 7.784 19.411 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -14.790 6.141 19.127 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.000 7.186 19.468 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -12.692 5.678 20.030 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.073 5.863 17.804 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -12.251 4.585 18.029 1.00 0.00 H new ATOM 1438 N SER A 98 -12.424 8.882 16.793 1.00 0.00 N ATOM 1439 CA SER A 98 -12.053 10.292 16.491 1.00 0.00 C ATOM 1440 C SER A 98 -12.779 10.762 15.232 1.00 0.00 C ATOM 1441 O SER A 98 -12.942 11.944 15.002 1.00 0.00 O ATOM 1442 CB SER A 98 -10.540 10.277 16.272 1.00 0.00 C ATOM 1443 OG SER A 98 -9.905 10.978 17.332 1.00 0.00 O ATOM 0 H SER A 98 -11.653 8.214 16.780 1.00 0.00 H new ATOM 0 HA SER A 98 -12.332 10.974 17.294 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.177 9.250 16.231 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.295 10.740 15.316 1.00 0.00 H new ATOM 0 HG SER A 98 -8.935 10.969 17.195 1.00 0.00 H new ATOM 1449 N LYS A 99 -13.222 9.848 14.418 1.00 0.00 N ATOM 1450 CA LYS A 99 -13.944 10.246 13.179 1.00 0.00 C ATOM 1451 C LYS A 99 -15.454 10.220 13.426 1.00 0.00 C ATOM 1452 O LYS A 99 -16.245 10.300 12.507 1.00 0.00 O ATOM 1453 CB LYS A 99 -13.552 9.202 12.133 1.00 0.00 C ATOM 1454 CG LYS A 99 -13.489 9.865 10.756 1.00 0.00 C ATOM 1455 CD LYS A 99 -14.139 8.951 9.715 1.00 0.00 C ATOM 1456 CE LYS A 99 -13.266 8.910 8.458 1.00 0.00 C ATOM 1457 NZ LYS A 99 -14.107 9.509 7.385 1.00 0.00 N ATOM 0 H LYS A 99 -13.116 8.843 14.556 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.688 11.255 12.856 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.585 8.765 12.383 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.277 8.388 12.125 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -14.001 10.827 10.781 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.452 10.063 10.484 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.259 7.947 10.121 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -15.136 9.315 9.467 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.345 9.475 8.599 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.979 7.888 8.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.576 9.516 6.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.974 8.946 7.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.359 10.484 7.645 1.00 0.00 H new ATOM 1471 N ARG A 100 -15.859 10.109 14.663 1.00 0.00 N ATOM 1472 CA ARG A 100 -17.322 10.075 14.966 1.00 0.00 C ATOM 1473 C ARG A 100 -17.935 11.472 14.808 1.00 0.00 C ATOM 1474 O ARG A 100 -18.442 11.821 13.761 1.00 0.00 O ATOM 1475 CB ARG A 100 -17.417 9.607 16.419 1.00 0.00 C ATOM 1476 CG ARG A 100 -16.888 8.176 16.532 1.00 0.00 C ATOM 1477 CD ARG A 100 -17.981 7.189 16.111 1.00 0.00 C ATOM 1478 NE ARG A 100 -17.248 5.966 15.682 1.00 0.00 N ATOM 1479 CZ ARG A 100 -17.617 4.795 16.127 1.00 0.00 C ATOM 1480 NH1 ARG A 100 -18.034 4.665 17.356 1.00 0.00 N ATOM 1481 NH2 ARG A 100 -17.567 3.754 15.340 1.00 0.00 N ATOM 0 H ARG A 100 -15.244 10.041 15.474 1.00 0.00 H new ATOM 0 HA ARG A 100 -17.865 9.416 14.289 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -16.841 10.271 17.064 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -18.452 9.651 16.759 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -16.009 8.052 15.900 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -16.576 7.973 17.556 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -18.659 6.974 16.937 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -18.586 7.592 15.299 1.00 0.00 H new ATOM 0 HE ARG A 100 -16.458 6.043 15.041 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -18.072 5.478 17.970 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -18.322 3.750 17.703 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -17.240 3.856 14.379 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -17.855 2.839 15.686 1.00 0.00 H new TER 1495 ARG A 100 HETATM 1496 CA CA A 107 -4.738 11.237 7.557 1.00 12.07 CA