USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 765 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 NoAdj-H: A 33 HIS HD1 : A 33 HIS ND1 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 80 HIS HD1 : A 80 HIS ND1 : A 701 ZNZN :(H bumps) USER MOD Set 1.1: A 79 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 100 ASN : amide:sc=-0.000362 X(o=-0.00036,f=-0.043) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 52:sc= 0.312 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00149 USER MOD Single : A 9 ASN : amide:sc= -0.136 K(o=-0.14,f=-2.1!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -2.92 K(o=-2.9,f=-5.4!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -170:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.719 X(o=-0.72,f=-0.4) USER MOD Single : A 31 HIS : no HD1:sc= -2.24 K(o=-2.2,f=-0.68) USER MOD Single : A 32 TYR OH : rot 161:sc= -0.126 USER MOD Single : A 35 MET CE :methyl -139:sc= -0.456 (180deg=-1.73!) USER MOD Single : A 42 THR OG1 : rot 109:sc= -0.907 USER MOD Single : A 45 LYS NZ :NH3+ 145:sc= -0.0957 (180deg=-1.55) USER MOD Single : A 50 GLN : amide:sc= -0.0597 X(o=-0.06,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 151:sc= -1.17 (180deg=-4.61!) USER MOD Single : A 58 GLN : amide:sc= -4.77 K(o=-4.8,f=-17!) USER MOD Single : A 59 ASN : amide:sc= -2.39! C(o=-2.4!,f=-2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0297 X(o=-0.03,f=-0.39) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0419) USER MOD Single : A 69 MET CE :methyl -104:sc= -1.66 (180deg=-3.68!) USER MOD Single : A 74 THR OG1 : rot -110:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.00192 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 88 MET CE :methyl 143:sc= -3.07! (180deg=-6.87!) USER MOD Single : A 89 LYS NZ :NH3+ -162:sc= -0.027 (180deg=-0.205) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.36! C(o=-1.4!,f=-4.4!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 CYS SG : rot 180:sc= -0.0906 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.790 -2.732 -3.806 1.00 0.00 N ATOM 2 CA GLY A 1 -28.270 -2.650 -2.454 1.00 0.00 C ATOM 3 C GLY A 1 -27.982 -1.224 -2.029 1.00 0.00 C ATOM 4 O GLY A 1 -28.831 -0.564 -1.429 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.971 -3.727 -4.049 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.677 -2.193 -3.870 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.095 -2.334 -4.470 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.988 -3.093 -1.764 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.355 -3.239 -2.384 1.00 0.00 H new ATOM 8 N SER A 2 -26.780 -0.747 -2.337 1.00 0.00 N ATOM 9 CA SER A 2 -26.380 0.609 -1.978 1.00 0.00 C ATOM 10 C SER A 2 -25.888 1.373 -3.204 1.00 0.00 C ATOM 11 O SER A 2 -24.686 1.454 -3.457 1.00 0.00 O ATOM 12 CB SER A 2 -25.284 0.574 -0.911 1.00 0.00 C ATOM 13 OG SER A 2 -24.219 -0.274 -1.302 1.00 0.00 O ATOM 0 H SER A 2 -26.066 -1.279 -2.834 1.00 0.00 H new ATOM 0 HA SER A 2 -27.252 1.125 -1.576 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.906 1.582 -0.740 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.702 0.226 0.033 1.00 0.00 H new ATOM 0 HG SER A 2 -23.920 -0.029 -2.203 1.00 0.00 H new ATOM 19 N SER A 3 -26.827 1.930 -3.962 1.00 0.00 N ATOM 20 CA SER A 3 -26.491 2.685 -5.164 1.00 0.00 C ATOM 21 C SER A 3 -26.631 4.184 -4.921 1.00 0.00 C ATOM 22 O SER A 3 -27.703 4.668 -4.559 1.00 0.00 O ATOM 23 CB SER A 3 -27.389 2.259 -6.326 1.00 0.00 C ATOM 24 OG SER A 3 -26.911 1.070 -6.931 1.00 0.00 O ATOM 0 H SER A 3 -27.826 1.873 -3.765 1.00 0.00 H new ATOM 0 HA SER A 3 -25.453 2.472 -5.419 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.406 2.104 -5.966 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.432 3.056 -7.068 1.00 0.00 H new ATOM 0 HG SER A 3 -27.503 0.818 -7.670 1.00 0.00 H new ATOM 30 N GLY A 4 -25.539 4.915 -5.122 1.00 0.00 N ATOM 31 CA GLY A 4 -25.560 6.352 -4.921 1.00 0.00 C ATOM 32 C GLY A 4 -24.208 6.900 -4.509 1.00 0.00 C ATOM 33 O GLY A 4 -23.578 7.645 -5.259 1.00 0.00 O ATOM 0 H GLY A 4 -24.640 4.537 -5.421 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.881 6.840 -5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.297 6.598 -4.156 1.00 0.00 H new ATOM 37 N SER A 5 -23.761 6.531 -3.313 1.00 0.00 N ATOM 38 CA SER A 5 -22.478 6.995 -2.800 1.00 0.00 C ATOM 39 C SER A 5 -21.400 5.933 -2.993 1.00 0.00 C ATOM 40 O SER A 5 -21.553 4.791 -2.559 1.00 0.00 O ATOM 41 CB SER A 5 -22.596 7.354 -1.317 1.00 0.00 C ATOM 42 OG SER A 5 -23.658 8.267 -1.097 1.00 0.00 O ATOM 0 H SER A 5 -24.269 5.912 -2.681 1.00 0.00 H new ATOM 0 HA SER A 5 -22.192 7.885 -3.360 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.763 6.449 -0.733 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.659 7.790 -0.969 1.00 0.00 H new ATOM 0 HG SER A 5 -23.714 8.480 -0.142 1.00 0.00 H new ATOM 48 N SER A 6 -20.309 6.318 -3.648 1.00 0.00 N ATOM 49 CA SER A 6 -19.206 5.399 -3.903 1.00 0.00 C ATOM 50 C SER A 6 -18.895 4.566 -2.663 1.00 0.00 C ATOM 51 O SER A 6 -19.152 4.990 -1.536 1.00 0.00 O ATOM 52 CB SER A 6 -17.960 6.172 -4.338 1.00 0.00 C ATOM 53 OG SER A 6 -18.250 7.042 -5.418 1.00 0.00 O ATOM 0 H SER A 6 -20.166 7.260 -4.012 1.00 0.00 H new ATOM 0 HA SER A 6 -19.505 4.725 -4.706 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.574 6.748 -3.497 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.178 5.472 -4.631 1.00 0.00 H new ATOM 0 HG SER A 6 -17.438 7.526 -5.676 1.00 0.00 H new ATOM 59 N GLY A 7 -18.338 3.378 -2.879 1.00 0.00 N ATOM 60 CA GLY A 7 -18.001 2.504 -1.771 1.00 0.00 C ATOM 61 C GLY A 7 -16.752 2.953 -1.038 1.00 0.00 C ATOM 62 O GLY A 7 -15.674 2.393 -1.234 1.00 0.00 O ATOM 0 H GLY A 7 -18.114 3.006 -3.802 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.837 2.470 -1.072 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.855 1.490 -2.143 1.00 0.00 H new ATOM 66 N ALA A 8 -16.897 3.968 -0.192 1.00 0.00 N ATOM 67 CA ALA A 8 -15.772 4.492 0.572 1.00 0.00 C ATOM 68 C ALA A 8 -15.576 3.709 1.866 1.00 0.00 C ATOM 69 O ALA A 8 -15.070 4.241 2.853 1.00 0.00 O ATOM 70 CB ALA A 8 -15.979 5.969 0.873 1.00 0.00 C ATOM 0 H ALA A 8 -17.783 4.443 -0.019 1.00 0.00 H new ATOM 0 HA ALA A 8 -14.871 4.379 -0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -15.131 6.346 1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -16.062 6.523 -0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -16.893 6.098 1.453 1.00 0.00 H new ATOM 76 N ASN A 9 -15.981 2.444 1.854 1.00 0.00 N ATOM 77 CA ASN A 9 -15.851 1.588 3.028 1.00 0.00 C ATOM 78 C ASN A 9 -14.574 0.756 2.956 1.00 0.00 C ATOM 79 O ASN A 9 -13.974 0.610 1.891 1.00 0.00 O ATOM 80 CB ASN A 9 -17.066 0.667 3.151 1.00 0.00 C ATOM 81 CG ASN A 9 -18.227 1.335 3.863 1.00 0.00 C ATOM 82 OD1 ASN A 9 -18.106 2.457 4.355 1.00 0.00 O ATOM 83 ND2 ASN A 9 -19.360 0.645 3.922 1.00 0.00 N ATOM 0 H ASN A 9 -16.402 1.988 1.044 1.00 0.00 H new ATOM 0 HA ASN A 9 -15.798 2.228 3.909 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -17.384 0.355 2.156 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.782 -0.235 3.693 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -20.175 1.042 4.389 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.415 -0.282 3.500 1.00 0.00 H new ATOM 90 N CYS A 10 -14.163 0.212 4.097 1.00 0.00 N ATOM 91 CA CYS A 10 -12.958 -0.605 4.165 1.00 0.00 C ATOM 92 C CYS A 10 -13.042 -1.780 3.194 1.00 0.00 C ATOM 93 O CYS A 10 -13.941 -2.614 3.290 1.00 0.00 O ATOM 94 CB CYS A 10 -12.747 -1.122 5.590 1.00 0.00 C ATOM 95 SG CYS A 10 -11.062 -1.731 5.917 1.00 0.00 S ATOM 0 H CYS A 10 -14.648 0.323 4.988 1.00 0.00 H new ATOM 0 HA CYS A 10 -12.110 0.018 3.882 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.975 -0.321 6.293 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -13.457 -1.927 5.782 1.00 0.00 H new ATOM 100 N ALA A 11 -12.098 -1.836 2.260 1.00 0.00 N ATOM 101 CA ALA A 11 -12.064 -2.908 1.273 1.00 0.00 C ATOM 102 C ALA A 11 -11.629 -4.225 1.908 1.00 0.00 C ATOM 103 O ALA A 11 -11.426 -5.223 1.215 1.00 0.00 O ATOM 104 CB ALA A 11 -11.134 -2.540 0.127 1.00 0.00 C ATOM 0 H ALA A 11 -11.347 -1.152 2.166 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.072 -3.040 0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.118 -3.349 -0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.489 -1.627 -0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.127 -2.379 0.513 1.00 0.00 H new ATOM 110 N VAL A 12 -11.487 -4.221 3.230 1.00 0.00 N ATOM 111 CA VAL A 12 -11.076 -5.415 3.958 1.00 0.00 C ATOM 112 C VAL A 12 -12.198 -5.925 4.855 1.00 0.00 C ATOM 113 O VAL A 12 -12.578 -7.095 4.789 1.00 0.00 O ATOM 114 CB VAL A 12 -9.828 -5.146 4.819 1.00 0.00 C ATOM 115 CG1 VAL A 12 -9.389 -6.414 5.535 1.00 0.00 C ATOM 116 CG2 VAL A 12 -8.700 -4.590 3.963 1.00 0.00 C ATOM 0 H VAL A 12 -11.651 -3.404 3.818 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.837 -6.173 3.212 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.082 -4.401 5.573 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.506 -6.204 6.138 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.194 -6.765 6.180 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.152 -7.183 4.800 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.826 -4.406 4.588 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.445 -5.310 3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.020 -3.656 3.502 1.00 0.00 H new ATOM 126 N CYS A 13 -12.727 -5.040 5.693 1.00 0.00 N ATOM 127 CA CYS A 13 -13.807 -5.399 6.604 1.00 0.00 C ATOM 128 C CYS A 13 -15.148 -4.891 6.085 1.00 0.00 C ATOM 129 O CYS A 13 -16.197 -5.172 6.665 1.00 0.00 O ATOM 130 CB CYS A 13 -13.537 -4.828 7.998 1.00 0.00 C ATOM 131 SG CYS A 13 -13.705 -3.017 8.104 1.00 0.00 S ATOM 0 H CYS A 13 -12.425 -4.068 5.760 1.00 0.00 H new ATOM 0 HA CYS A 13 -13.850 -6.486 6.666 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -14.225 -5.288 8.707 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -12.529 -5.107 8.305 1.00 0.00 H new ATOM 136 N ASP A 14 -15.106 -4.141 4.989 1.00 0.00 N ATOM 137 CA ASP A 14 -16.318 -3.595 4.390 1.00 0.00 C ATOM 138 C ASP A 14 -17.178 -2.898 5.440 1.00 0.00 C ATOM 139 O ASP A 14 -18.401 -3.035 5.446 1.00 0.00 O ATOM 140 CB ASP A 14 -17.122 -4.704 3.709 1.00 0.00 C ATOM 141 CG ASP A 14 -17.752 -5.657 4.706 1.00 0.00 C ATOM 142 OD1 ASP A 14 -18.880 -5.378 5.162 1.00 0.00 O ATOM 143 OD2 ASP A 14 -17.116 -6.682 5.031 1.00 0.00 O ATOM 0 H ASP A 14 -14.246 -3.897 4.498 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.023 -2.860 3.642 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -17.903 -4.257 3.094 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -16.469 -5.263 3.039 1.00 0.00 H new ATOM 148 N SER A 15 -16.528 -2.151 6.328 1.00 0.00 N ATOM 149 CA SER A 15 -17.232 -1.437 7.387 1.00 0.00 C ATOM 150 C SER A 15 -16.656 -0.037 7.574 1.00 0.00 C ATOM 151 O SER A 15 -15.449 0.183 7.477 1.00 0.00 O ATOM 152 CB SER A 15 -17.147 -2.216 8.700 1.00 0.00 C ATOM 153 OG SER A 15 -18.226 -3.126 8.826 1.00 0.00 O ATOM 0 H SER A 15 -15.516 -2.025 6.335 1.00 0.00 H new ATOM 0 HA SER A 15 -18.278 -1.344 7.096 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.203 -2.759 8.743 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.154 -1.521 9.540 1.00 0.00 H new ATOM 0 HG SER A 15 -18.147 -3.612 9.673 1.00 0.00 H new ATOM 159 N PRO A 16 -17.540 0.934 7.848 1.00 0.00 N ATOM 160 CA PRO A 16 -17.143 2.330 8.055 1.00 0.00 C ATOM 161 C PRO A 16 -16.374 2.527 9.357 1.00 0.00 C ATOM 162 O PRO A 16 -15.289 3.106 9.367 1.00 0.00 O ATOM 163 CB PRO A 16 -18.480 3.074 8.105 1.00 0.00 C ATOM 164 CG PRO A 16 -19.467 2.051 8.550 1.00 0.00 C ATOM 165 CD PRO A 16 -18.994 0.744 7.978 1.00 0.00 C ATOM 0 HA PRO A 16 -16.471 2.684 7.273 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.440 3.914 8.799 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -18.744 3.480 7.128 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -19.518 2.005 9.638 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -20.468 2.294 8.194 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -19.233 -0.092 8.635 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -19.460 0.535 7.015 1.00 0.00 H new ATOM 173 N GLY A 17 -16.945 2.041 10.455 1.00 0.00 N ATOM 174 CA GLY A 17 -16.299 2.174 11.748 1.00 0.00 C ATOM 175 C GLY A 17 -15.499 3.457 11.867 1.00 0.00 C ATOM 176 O GLY A 17 -15.999 4.539 11.558 1.00 0.00 O ATOM 0 H GLY A 17 -17.843 1.558 10.472 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.055 2.147 12.533 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -15.639 1.322 11.911 1.00 0.00 H new ATOM 180 N ASP A 18 -14.255 3.337 12.318 1.00 0.00 N ATOM 181 CA ASP A 18 -13.385 4.496 12.478 1.00 0.00 C ATOM 182 C ASP A 18 -12.726 4.867 11.153 1.00 0.00 C ATOM 183 O ASP A 18 -11.960 4.086 10.588 1.00 0.00 O ATOM 184 CB ASP A 18 -12.314 4.214 13.533 1.00 0.00 C ATOM 185 CG ASP A 18 -12.883 4.173 14.938 1.00 0.00 C ATOM 186 OD1 ASP A 18 -13.762 5.004 15.247 1.00 0.00 O ATOM 187 OD2 ASP A 18 -12.448 3.310 15.729 1.00 0.00 O ATOM 0 H ASP A 18 -13.827 2.449 12.579 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.996 5.336 12.807 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.831 3.262 13.311 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.543 4.983 13.478 1.00 0.00 H new ATOM 192 N LEU A 19 -13.029 6.064 10.663 1.00 0.00 N ATOM 193 CA LEU A 19 -12.467 6.540 9.404 1.00 0.00 C ATOM 194 C LEU A 19 -11.228 7.395 9.649 1.00 0.00 C ATOM 195 O LEU A 19 -10.322 7.448 8.816 1.00 0.00 O ATOM 196 CB LEU A 19 -13.511 7.345 8.628 1.00 0.00 C ATOM 197 CG LEU A 19 -14.381 6.553 7.653 1.00 0.00 C ATOM 198 CD1 LEU A 19 -15.780 7.145 7.583 1.00 0.00 C ATOM 199 CD2 LEU A 19 -13.743 6.523 6.272 1.00 0.00 C ATOM 0 H LEU A 19 -13.661 6.723 11.118 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.175 5.671 8.814 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -14.164 7.842 9.345 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.996 8.128 8.071 1.00 0.00 H new ATOM 0 HG LEU A 19 -14.460 5.529 8.017 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -16.385 6.568 6.884 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -16.238 7.113 8.571 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -15.721 8.179 7.244 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -14.376 5.955 5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.632 7.542 5.900 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -12.762 6.051 6.334 1.00 0.00 H new ATOM 211 N LEU A 20 -11.194 8.062 10.798 1.00 0.00 N ATOM 212 CA LEU A 20 -10.064 8.913 11.155 1.00 0.00 C ATOM 213 C LEU A 20 -8.745 8.165 10.991 1.00 0.00 C ATOM 214 O LEU A 20 -7.707 8.768 10.719 1.00 0.00 O ATOM 215 CB LEU A 20 -10.208 9.408 12.595 1.00 0.00 C ATOM 216 CG LEU A 20 -10.980 10.714 12.782 1.00 0.00 C ATOM 217 CD1 LEU A 20 -10.317 11.842 12.006 1.00 0.00 C ATOM 218 CD2 LEU A 20 -12.429 10.545 12.347 1.00 0.00 C ATOM 0 H LEU A 20 -11.935 8.030 11.498 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.060 9.770 10.482 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.702 8.631 13.177 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.211 9.536 13.016 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.967 10.972 13.841 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.880 12.764 12.151 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.297 11.980 12.365 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.298 11.592 10.945 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.963 11.485 12.487 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.462 10.262 11.295 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.901 9.767 12.947 1.00 0.00 H new ATOM 230 N ASP A 21 -8.794 6.848 11.158 1.00 0.00 N ATOM 231 CA ASP A 21 -7.603 6.016 11.026 1.00 0.00 C ATOM 232 C ASP A 21 -7.680 5.153 9.770 1.00 0.00 C ATOM 233 O ASP A 21 -7.223 4.011 9.763 1.00 0.00 O ATOM 234 CB ASP A 21 -7.435 5.129 12.260 1.00 0.00 C ATOM 235 CG ASP A 21 -7.269 5.934 13.534 1.00 0.00 C ATOM 236 OD1 ASP A 21 -6.794 7.086 13.450 1.00 0.00 O ATOM 237 OD2 ASP A 21 -7.615 5.412 14.614 1.00 0.00 O ATOM 0 H ASP A 21 -9.645 6.334 11.385 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.738 6.674 10.941 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.303 4.477 12.356 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.566 4.485 12.125 1.00 0.00 H new ATOM 242 N GLN A 22 -8.261 5.708 8.712 1.00 0.00 N ATOM 243 CA GLN A 22 -8.398 4.988 7.451 1.00 0.00 C ATOM 244 C GLN A 22 -7.557 5.638 6.358 1.00 0.00 C ATOM 245 O GLN A 22 -7.708 6.825 6.067 1.00 0.00 O ATOM 246 CB GLN A 22 -9.866 4.943 7.023 1.00 0.00 C ATOM 247 CG GLN A 22 -10.654 3.815 7.669 1.00 0.00 C ATOM 248 CD GLN A 22 -11.959 3.529 6.952 1.00 0.00 C ATOM 249 OE1 GLN A 22 -13.039 3.838 7.456 1.00 0.00 O ATOM 250 NE2 GLN A 22 -11.866 2.936 5.767 1.00 0.00 N ATOM 0 H GLN A 22 -8.644 6.653 8.702 1.00 0.00 H new ATOM 0 HA GLN A 22 -8.039 3.970 7.602 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.338 5.894 7.272 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.917 4.836 5.939 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.045 2.911 7.680 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.863 4.071 8.708 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.950 2.697 5.387 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.710 2.719 5.237 1.00 0.00 H new ATOM 259 N PHE A 23 -6.670 4.853 5.755 1.00 0.00 N ATOM 260 CA PHE A 23 -5.803 5.353 4.694 1.00 0.00 C ATOM 261 C PHE A 23 -6.598 5.610 3.418 1.00 0.00 C ATOM 262 O PHE A 23 -7.716 5.118 3.260 1.00 0.00 O ATOM 263 CB PHE A 23 -4.676 4.356 4.415 1.00 0.00 C ATOM 264 CG PHE A 23 -3.629 4.319 5.491 1.00 0.00 C ATOM 265 CD1 PHE A 23 -2.616 5.264 5.523 1.00 0.00 C ATOM 266 CD2 PHE A 23 -3.656 3.339 6.470 1.00 0.00 C ATOM 267 CE1 PHE A 23 -1.650 5.233 6.511 1.00 0.00 C ATOM 268 CE2 PHE A 23 -2.694 3.303 7.461 1.00 0.00 C ATOM 269 CZ PHE A 23 -1.689 4.250 7.481 1.00 0.00 C ATOM 0 H PHE A 23 -6.533 3.868 5.983 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.370 6.296 5.027 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.103 3.360 4.300 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.202 4.611 3.467 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -2.581 6.034 4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.438 2.594 6.458 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.866 5.976 6.525 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.728 2.535 8.219 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.935 4.222 8.254 1.00 0.00 H new ATOM 279 N PHE A 24 -6.014 6.384 2.509 1.00 0.00 N ATOM 280 CA PHE A 24 -6.668 6.708 1.247 1.00 0.00 C ATOM 281 C PHE A 24 -5.686 6.604 0.084 1.00 0.00 C ATOM 282 O PHE A 24 -4.713 7.355 0.008 1.00 0.00 O ATOM 283 CB PHE A 24 -7.262 8.117 1.303 1.00 0.00 C ATOM 284 CG PHE A 24 -7.690 8.641 -0.038 1.00 0.00 C ATOM 285 CD1 PHE A 24 -8.910 8.275 -0.583 1.00 0.00 C ATOM 286 CD2 PHE A 24 -6.871 9.498 -0.755 1.00 0.00 C ATOM 287 CE1 PHE A 24 -9.307 8.756 -1.816 1.00 0.00 C ATOM 288 CE2 PHE A 24 -7.262 9.983 -1.989 1.00 0.00 C ATOM 289 CZ PHE A 24 -8.481 9.610 -2.521 1.00 0.00 C ATOM 0 H PHE A 24 -5.089 6.798 2.623 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.471 5.989 1.087 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.121 8.114 1.974 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.525 8.796 1.731 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.559 7.606 -0.037 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.916 9.791 -0.345 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -10.262 8.465 -2.228 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -6.615 10.653 -2.536 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.788 9.985 -3.486 1.00 0.00 H new ATOM 299 N CYS A 25 -5.947 5.667 -0.822 1.00 0.00 N ATOM 300 CA CYS A 25 -5.088 5.463 -1.981 1.00 0.00 C ATOM 301 C CYS A 25 -5.234 6.610 -2.976 1.00 0.00 C ATOM 302 O CYS A 25 -6.271 7.271 -3.032 1.00 0.00 O ATOM 303 CB CYS A 25 -5.425 4.136 -2.664 1.00 0.00 C ATOM 304 SG CYS A 25 -4.361 3.742 -4.090 1.00 0.00 S ATOM 0 H CYS A 25 -6.748 5.037 -0.775 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.055 5.435 -1.635 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.345 3.332 -1.932 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.463 4.164 -2.995 1.00 0.00 H new ATOM 309 N THR A 26 -4.186 6.843 -3.761 1.00 0.00 N ATOM 310 CA THR A 26 -4.196 7.910 -4.753 1.00 0.00 C ATOM 311 C THR A 26 -4.529 7.370 -6.139 1.00 0.00 C ATOM 312 O THR A 26 -5.065 8.087 -6.985 1.00 0.00 O ATOM 313 CB THR A 26 -2.839 8.637 -4.810 1.00 0.00 C ATOM 314 OG1 THR A 26 -1.783 7.689 -4.996 1.00 0.00 O ATOM 315 CG2 THR A 26 -2.597 9.431 -3.535 1.00 0.00 C ATOM 0 H THR A 26 -3.319 6.306 -3.728 1.00 0.00 H new ATOM 0 HA THR A 26 -4.967 8.618 -4.447 1.00 0.00 H new ATOM 0 HB THR A 26 -2.857 9.329 -5.652 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.924 8.159 -5.033 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.633 9.936 -3.598 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.387 10.172 -3.412 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.597 8.755 -2.680 1.00 0.00 H new ATOM 323 N THR A 27 -4.208 6.100 -6.367 1.00 0.00 N ATOM 324 CA THR A 27 -4.472 5.463 -7.651 1.00 0.00 C ATOM 325 C THR A 27 -5.945 5.095 -7.789 1.00 0.00 C ATOM 326 O THR A 27 -6.654 5.638 -8.638 1.00 0.00 O ATOM 327 CB THR A 27 -3.619 4.194 -7.835 1.00 0.00 C ATOM 328 OG1 THR A 27 -2.229 4.517 -7.716 1.00 0.00 O ATOM 329 CG2 THR A 27 -3.882 3.557 -9.191 1.00 0.00 C ATOM 0 H THR A 27 -3.764 5.492 -5.678 1.00 0.00 H new ATOM 0 HA THR A 27 -4.206 6.186 -8.423 1.00 0.00 H new ATOM 0 HB THR A 27 -3.894 3.482 -7.057 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.689 3.746 -7.988 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.268 2.663 -9.298 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.935 3.286 -9.268 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.631 4.265 -9.981 1.00 0.00 H new ATOM 337 N CYS A 28 -6.401 4.171 -6.951 1.00 0.00 N ATOM 338 CA CYS A 28 -7.790 3.730 -6.979 1.00 0.00 C ATOM 339 C CYS A 28 -8.664 4.630 -6.109 1.00 0.00 C ATOM 340 O CYS A 28 -9.751 5.038 -6.515 1.00 0.00 O ATOM 341 CB CYS A 28 -7.897 2.281 -6.501 1.00 0.00 C ATOM 342 SG CYS A 28 -7.525 2.051 -4.733 1.00 0.00 S ATOM 0 H CYS A 28 -5.828 3.712 -6.243 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.144 3.793 -8.008 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -8.905 1.918 -6.699 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.215 1.665 -7.088 1.00 0.00 H new ATOM 347 N GLY A 29 -8.179 4.936 -4.909 1.00 0.00 N ATOM 348 CA GLY A 29 -8.928 5.785 -4.001 1.00 0.00 C ATOM 349 C GLY A 29 -9.771 4.988 -3.025 1.00 0.00 C ATOM 350 O GLY A 29 -10.911 5.353 -2.740 1.00 0.00 O ATOM 0 H GLY A 29 -7.281 4.611 -4.550 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.236 6.418 -3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.574 6.448 -4.577 1.00 0.00 H new ATOM 354 N GLN A 30 -9.211 3.897 -2.515 1.00 0.00 N ATOM 355 CA GLN A 30 -9.921 3.045 -1.567 1.00 0.00 C ATOM 356 C GLN A 30 -9.558 3.409 -0.131 1.00 0.00 C ATOM 357 O GLN A 30 -8.697 4.256 0.107 1.00 0.00 O ATOM 358 CB GLN A 30 -9.598 1.574 -1.831 1.00 0.00 C ATOM 359 CG GLN A 30 -10.328 0.996 -3.033 1.00 0.00 C ATOM 360 CD GLN A 30 -11.640 0.337 -2.658 1.00 0.00 C ATOM 361 OE1 GLN A 30 -11.779 -0.884 -2.737 1.00 0.00 O ATOM 362 NE2 GLN A 30 -12.611 1.142 -2.245 1.00 0.00 N ATOM 0 H GLN A 30 -8.268 3.581 -2.742 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.991 3.204 -1.703 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.524 1.468 -1.984 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.853 0.990 -0.946 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.518 1.791 -3.754 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.687 0.265 -3.526 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -12.452 2.148 -2.195 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -13.516 0.754 -1.978 1.00 0.00 H new ATOM 371 N HIS A 31 -10.221 2.763 0.823 1.00 0.00 N ATOM 372 CA HIS A 31 -9.968 3.018 2.237 1.00 0.00 C ATOM 373 C HIS A 31 -9.654 1.720 2.975 1.00 0.00 C ATOM 374 O HIS A 31 -10.138 0.651 2.604 1.00 0.00 O ATOM 375 CB HIS A 31 -11.175 3.704 2.877 1.00 0.00 C ATOM 376 CG HIS A 31 -11.614 4.940 2.155 1.00 0.00 C ATOM 377 ND1 HIS A 31 -11.820 6.148 2.787 1.00 0.00 N ATOM 378 CD2 HIS A 31 -11.885 5.152 0.845 1.00 0.00 C ATOM 379 CE1 HIS A 31 -12.200 7.049 1.899 1.00 0.00 C ATOM 380 NE2 HIS A 31 -12.247 6.470 0.713 1.00 0.00 N ATOM 0 H HIS A 31 -10.937 2.059 0.643 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.103 3.677 2.313 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -12.006 3.000 2.913 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -10.931 3.962 3.908 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.827 4.421 0.052 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.433 8.083 2.107 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -12.510 6.928 -0.160 1.00 0.00 H new ATOM 389 N TYR A 32 -8.842 1.822 4.021 1.00 0.00 N ATOM 390 CA TYR A 32 -8.461 0.657 4.810 1.00 0.00 C ATOM 391 C TYR A 32 -8.088 1.060 6.233 1.00 0.00 C ATOM 392 O TYR A 32 -7.584 2.159 6.468 1.00 0.00 O ATOM 393 CB TYR A 32 -7.287 -0.070 4.150 1.00 0.00 C ATOM 394 CG TYR A 32 -7.470 -0.293 2.666 1.00 0.00 C ATOM 395 CD1 TYR A 32 -7.398 0.766 1.770 1.00 0.00 C ATOM 396 CD2 TYR A 32 -7.715 -1.564 2.159 1.00 0.00 C ATOM 397 CE1 TYR A 32 -7.566 0.567 0.413 1.00 0.00 C ATOM 398 CE2 TYR A 32 -7.882 -1.773 0.804 1.00 0.00 C ATOM 399 CZ TYR A 32 -7.807 -0.704 -0.065 1.00 0.00 C ATOM 400 OH TYR A 32 -7.973 -0.907 -1.416 1.00 0.00 O ATOM 0 H TYR A 32 -8.435 2.700 4.342 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.318 -0.015 4.855 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -6.376 0.506 4.313 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.146 -1.034 4.639 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -7.207 1.762 2.140 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.776 -2.403 2.837 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -7.509 1.402 -0.269 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.070 -2.767 0.427 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.831 -1.854 -1.624 1.00 0.00 H new ATOM 410 N HIS A 33 -8.340 0.162 7.181 1.00 0.00 N ATOM 411 CA HIS A 33 -8.031 0.422 8.582 1.00 0.00 C ATOM 412 C HIS A 33 -6.612 -0.029 8.918 1.00 0.00 C ATOM 413 O HIS A 33 -6.056 -0.906 8.258 1.00 0.00 O ATOM 414 CB HIS A 33 -9.034 -0.291 9.489 1.00 0.00 C ATOM 415 CG HIS A 33 -10.416 0.283 9.421 1.00 0.00 C ATOM 416 ND1 HIS A 33 -11.534 -0.478 9.156 1.00 0.00 N ATOM 417 CD2 HIS A 33 -10.856 1.551 9.589 1.00 0.00 C ATOM 418 CE1 HIS A 33 -12.603 0.298 9.161 1.00 0.00 C ATOM 419 NE2 HIS A 33 -12.219 1.534 9.422 1.00 0.00 N ATOM 0 H HIS A 33 -8.757 -0.752 7.004 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.101 1.497 8.751 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.073 -1.345 9.215 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.679 -0.242 10.518 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.249 2.416 9.813 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.618 -0.024 8.982 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -12.835 2.345 9.489 1.00 0.00 H new ATOM 427 N GLY A 34 -6.032 0.577 9.950 1.00 0.00 N ATOM 428 CA GLY A 34 -4.684 0.224 10.355 1.00 0.00 C ATOM 429 C GLY A 34 -4.593 -1.186 10.903 1.00 0.00 C ATOM 430 O GLY A 34 -3.551 -1.833 10.801 1.00 0.00 O ATOM 0 H GLY A 34 -6.472 1.306 10.512 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.014 0.322 9.501 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.340 0.928 11.113 1.00 0.00 H new ATOM 434 N MET A 35 -5.687 -1.662 11.489 1.00 0.00 N ATOM 435 CA MET A 35 -5.725 -3.005 12.057 1.00 0.00 C ATOM 436 C MET A 35 -6.096 -4.034 10.994 1.00 0.00 C ATOM 437 O MET A 35 -5.488 -5.102 10.911 1.00 0.00 O ATOM 438 CB MET A 35 -6.727 -3.065 13.212 1.00 0.00 C ATOM 439 CG MET A 35 -6.996 -4.475 13.710 1.00 0.00 C ATOM 440 SD MET A 35 -7.387 -4.528 15.470 1.00 0.00 S ATOM 441 CE MET A 35 -5.928 -3.755 16.164 1.00 0.00 C ATOM 0 H MET A 35 -6.558 -1.139 11.583 1.00 0.00 H new ATOM 0 HA MET A 35 -4.730 -3.241 12.435 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.352 -2.462 14.039 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.667 -2.616 12.890 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.824 -4.904 13.145 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.122 -5.097 13.517 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.627 -4.289 17.065 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.118 -3.788 15.436 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.150 -2.717 16.414 1.00 0.00 H new ATOM 451 N CYS A 36 -7.096 -3.707 10.183 1.00 0.00 N ATOM 452 CA CYS A 36 -7.549 -4.603 9.126 1.00 0.00 C ATOM 453 C CYS A 36 -6.379 -5.051 8.255 1.00 0.00 C ATOM 454 O CYS A 36 -6.345 -6.185 7.776 1.00 0.00 O ATOM 455 CB CYS A 36 -8.607 -3.913 8.262 1.00 0.00 C ATOM 456 SG CYS A 36 -10.287 -3.962 8.965 1.00 0.00 S ATOM 0 H CYS A 36 -7.609 -2.827 10.238 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.989 -5.483 9.594 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -8.317 -2.873 8.113 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -8.622 -4.384 7.279 1.00 0.00 H new ATOM 461 N LEU A 37 -5.421 -4.152 8.053 1.00 0.00 N ATOM 462 CA LEU A 37 -4.248 -4.454 7.240 1.00 0.00 C ATOM 463 C LEU A 37 -2.995 -4.546 8.105 1.00 0.00 C ATOM 464 O LEU A 37 -1.896 -4.777 7.600 1.00 0.00 O ATOM 465 CB LEU A 37 -4.060 -3.383 6.164 1.00 0.00 C ATOM 466 CG LEU A 37 -4.973 -3.494 4.941 1.00 0.00 C ATOM 467 CD1 LEU A 37 -4.871 -2.241 4.085 1.00 0.00 C ATOM 468 CD2 LEU A 37 -4.624 -4.730 4.126 1.00 0.00 C ATOM 0 H LEU A 37 -5.434 -3.209 8.441 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.408 -5.419 6.760 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.215 -2.406 6.621 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.025 -3.415 5.824 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.002 -3.591 5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.527 -2.337 3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.171 -1.373 4.673 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.842 -2.113 3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.283 -4.793 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.589 -4.664 3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.749 -5.620 4.743 1.00 0.00 H new ATOM 480 N ASP A 38 -3.168 -4.367 9.410 1.00 0.00 N ATOM 481 CA ASP A 38 -2.052 -4.434 10.346 1.00 0.00 C ATOM 482 C ASP A 38 -0.942 -3.471 9.937 1.00 0.00 C ATOM 483 O ASP A 38 0.238 -3.825 9.953 1.00 0.00 O ATOM 484 CB ASP A 38 -1.506 -5.860 10.420 1.00 0.00 C ATOM 485 CG ASP A 38 -2.532 -6.846 10.943 1.00 0.00 C ATOM 486 OD1 ASP A 38 -3.495 -6.406 11.605 1.00 0.00 O ATOM 487 OD2 ASP A 38 -2.372 -8.058 10.689 1.00 0.00 O ATOM 0 H ASP A 38 -4.071 -4.174 9.844 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.417 -4.142 11.331 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.178 -6.172 9.428 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.628 -5.877 11.066 1.00 0.00 H new ATOM 492 N ILE A 39 -1.327 -2.254 9.569 1.00 0.00 N ATOM 493 CA ILE A 39 -0.363 -1.241 9.155 1.00 0.00 C ATOM 494 C ILE A 39 -0.114 -0.231 10.271 1.00 0.00 C ATOM 495 O ILE A 39 -1.036 0.159 10.986 1.00 0.00 O ATOM 496 CB ILE A 39 -0.840 -0.491 7.897 1.00 0.00 C ATOM 497 CG1 ILE A 39 -1.023 -1.468 6.734 1.00 0.00 C ATOM 498 CG2 ILE A 39 0.150 0.604 7.526 1.00 0.00 C ATOM 499 CD1 ILE A 39 -1.532 -0.812 5.469 1.00 0.00 C ATOM 0 H ILE A 39 -2.299 -1.945 9.549 1.00 0.00 H new ATOM 0 HA ILE A 39 0.566 -1.764 8.926 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.802 -0.026 8.111 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.070 -1.953 6.524 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.720 -2.251 7.034 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.201 1.125 6.635 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.235 1.312 8.350 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.125 0.160 7.326 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.638 -1.564 4.687 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.500 -0.351 5.663 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.825 -0.049 5.145 1.00 0.00 H new ATOM 511 N ALA A 40 1.139 0.188 10.412 1.00 0.00 N ATOM 512 CA ALA A 40 1.510 1.155 11.438 1.00 0.00 C ATOM 513 C ALA A 40 1.116 2.570 11.027 1.00 0.00 C ATOM 514 O ALA A 40 1.794 3.204 10.218 1.00 0.00 O ATOM 515 CB ALA A 40 3.003 1.082 11.718 1.00 0.00 C ATOM 0 H ALA A 40 1.914 -0.127 9.829 1.00 0.00 H new ATOM 0 HA ALA A 40 0.968 0.905 12.350 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.265 1.810 12.486 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.260 0.081 12.064 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.556 1.303 10.805 1.00 0.00 H new ATOM 521 N VAL A 41 0.015 3.060 11.588 1.00 0.00 N ATOM 522 CA VAL A 41 -0.469 4.400 11.280 1.00 0.00 C ATOM 523 C VAL A 41 0.571 5.456 11.637 1.00 0.00 C ATOM 524 O VAL A 41 1.010 5.549 12.784 1.00 0.00 O ATOM 525 CB VAL A 41 -1.778 4.711 12.030 1.00 0.00 C ATOM 526 CG1 VAL A 41 -2.250 6.122 11.719 1.00 0.00 C ATOM 527 CG2 VAL A 41 -2.850 3.691 11.676 1.00 0.00 C ATOM 0 H VAL A 41 -0.559 2.548 12.259 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.658 4.428 10.207 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.586 4.646 13.101 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.176 6.323 12.258 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.488 6.837 12.028 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.425 6.219 10.648 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.768 3.926 12.215 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.041 3.721 10.603 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.510 2.694 11.956 1.00 0.00 H new ATOM 537 N THR A 42 0.963 6.251 10.646 1.00 0.00 N ATOM 538 CA THR A 42 1.953 7.300 10.854 1.00 0.00 C ATOM 539 C THR A 42 1.591 8.560 10.076 1.00 0.00 C ATOM 540 O THR A 42 0.999 8.504 8.998 1.00 0.00 O ATOM 541 CB THR A 42 3.360 6.837 10.433 1.00 0.00 C ATOM 542 OG1 THR A 42 4.221 7.970 10.272 1.00 0.00 O ATOM 543 CG2 THR A 42 3.303 6.049 9.133 1.00 0.00 C ATOM 0 H THR A 42 0.610 6.188 9.691 1.00 0.00 H new ATOM 0 HA THR A 42 1.957 7.523 11.921 1.00 0.00 H new ATOM 0 HB THR A 42 3.755 6.189 11.216 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.876 7.990 11.001 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.308 5.732 8.855 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.670 5.172 9.267 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.890 6.678 8.344 1.00 0.00 H new ATOM 551 N PRO A 43 1.953 9.725 10.633 1.00 0.00 N ATOM 552 CA PRO A 43 1.677 11.022 10.007 1.00 0.00 C ATOM 553 C PRO A 43 2.513 11.249 8.752 1.00 0.00 C ATOM 554 O PRO A 43 2.439 12.309 8.128 1.00 0.00 O ATOM 555 CB PRO A 43 2.060 12.029 11.094 1.00 0.00 C ATOM 556 CG PRO A 43 3.061 11.316 11.936 1.00 0.00 C ATOM 557 CD PRO A 43 2.661 9.867 11.917 1.00 0.00 C ATOM 0 HA PRO A 43 0.641 11.104 9.677 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.481 12.937 10.662 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.191 12.328 11.680 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.068 11.448 11.541 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.064 11.707 12.954 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.529 9.210 11.972 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.018 9.617 12.760 1.00 0.00 H new ATOM 565 N LEU A 44 3.307 10.249 8.387 1.00 0.00 N ATOM 566 CA LEU A 44 4.157 10.340 7.205 1.00 0.00 C ATOM 567 C LEU A 44 3.564 9.547 6.045 1.00 0.00 C ATOM 568 O LEU A 44 3.717 9.919 4.881 1.00 0.00 O ATOM 569 CB LEU A 44 5.563 9.826 7.523 1.00 0.00 C ATOM 570 CG LEU A 44 6.523 9.720 6.337 1.00 0.00 C ATOM 571 CD1 LEU A 44 7.150 11.072 6.036 1.00 0.00 C ATOM 572 CD2 LEU A 44 7.599 8.680 6.613 1.00 0.00 C ATOM 0 H LEU A 44 3.380 9.366 8.892 1.00 0.00 H new ATOM 0 HA LEU A 44 4.217 11.388 6.911 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.009 10.485 8.268 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.473 8.841 7.981 1.00 0.00 H new ATOM 0 HG LEU A 44 5.956 9.403 5.462 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.830 10.977 5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.367 11.790 5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.703 11.419 6.909 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.273 8.618 5.759 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.163 8.967 7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.132 7.709 6.778 1.00 0.00 H new ATOM 584 N LYS A 45 2.883 8.453 6.370 1.00 0.00 N ATOM 585 CA LYS A 45 2.262 7.608 5.356 1.00 0.00 C ATOM 586 C LYS A 45 0.900 8.159 4.949 1.00 0.00 C ATOM 587 O LYS A 45 0.609 8.307 3.762 1.00 0.00 O ATOM 588 CB LYS A 45 2.111 6.178 5.878 1.00 0.00 C ATOM 589 CG LYS A 45 2.051 5.132 4.778 1.00 0.00 C ATOM 590 CD LYS A 45 1.840 3.738 5.345 1.00 0.00 C ATOM 591 CE LYS A 45 3.136 3.153 5.885 1.00 0.00 C ATOM 592 NZ LYS A 45 3.018 1.693 6.151 1.00 0.00 N ATOM 0 H LYS A 45 2.747 8.131 7.328 1.00 0.00 H new ATOM 0 HA LYS A 45 2.908 7.601 4.478 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.948 5.951 6.538 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.204 6.113 6.479 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.241 5.372 4.090 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.976 5.155 4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.097 3.777 6.142 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.441 3.085 4.569 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.939 3.328 5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.411 3.669 6.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.923 1.227 5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.777 1.541 7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.271 1.290 5.550 1.00 0.00 H new ATOM 606 N ARG A 46 0.069 8.462 5.941 1.00 0.00 N ATOM 607 CA ARG A 46 -1.263 8.997 5.685 1.00 0.00 C ATOM 608 C ARG A 46 -1.268 9.868 4.432 1.00 0.00 C ATOM 609 O ARG A 46 -2.227 9.859 3.662 1.00 0.00 O ATOM 610 CB ARG A 46 -1.749 9.811 6.886 1.00 0.00 C ATOM 611 CG ARG A 46 -2.088 8.962 8.100 1.00 0.00 C ATOM 612 CD ARG A 46 -2.614 9.812 9.246 1.00 0.00 C ATOM 613 NE ARG A 46 -3.910 10.409 8.933 1.00 0.00 N ATOM 614 CZ ARG A 46 -4.052 11.560 8.284 1.00 0.00 C ATOM 615 NH1 ARG A 46 -2.983 12.233 7.881 1.00 0.00 N ATOM 616 NH2 ARG A 46 -5.264 12.038 8.038 1.00 0.00 N ATOM 0 H ARG A 46 0.294 8.346 6.929 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.939 8.157 5.526 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.979 10.532 7.161 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.631 10.382 6.595 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.834 8.216 7.827 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.200 8.420 8.426 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.705 9.197 10.142 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.896 10.601 9.472 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.752 9.915 9.229 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.049 11.867 8.069 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.094 13.116 7.383 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.088 11.522 8.347 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.372 12.921 7.540 1.00 0.00 H new ATOM 630 N ALA A 47 -0.190 10.619 4.236 1.00 0.00 N ATOM 631 CA ALA A 47 -0.069 11.494 3.076 1.00 0.00 C ATOM 632 C ALA A 47 0.214 10.692 1.811 1.00 0.00 C ATOM 633 O ALA A 47 1.195 9.953 1.739 1.00 0.00 O ATOM 634 CB ALA A 47 1.025 12.526 3.306 1.00 0.00 C ATOM 0 H ALA A 47 0.612 10.639 4.865 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.019 12.012 2.941 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.105 13.173 2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.780 13.127 4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.976 12.018 3.469 1.00 0.00 H new ATOM 640 N GLY A 48 -0.652 10.843 0.813 1.00 0.00 N ATOM 641 CA GLY A 48 -0.477 10.126 -0.436 1.00 0.00 C ATOM 642 C GLY A 48 -0.127 8.667 -0.223 1.00 0.00 C ATOM 643 O GLY A 48 0.935 8.208 -0.646 1.00 0.00 O ATOM 0 H GLY A 48 -1.472 11.449 0.848 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.393 10.195 -1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.311 10.604 -1.018 1.00 0.00 H new ATOM 647 N TRP A 49 -1.018 7.936 0.436 1.00 0.00 N ATOM 648 CA TRP A 49 -0.797 6.520 0.707 1.00 0.00 C ATOM 649 C TRP A 49 -1.097 5.677 -0.527 1.00 0.00 C ATOM 650 O TRP A 49 -1.967 6.020 -1.327 1.00 0.00 O ATOM 651 CB TRP A 49 -1.667 6.061 1.878 1.00 0.00 C ATOM 652 CG TRP A 49 -1.685 4.573 2.057 1.00 0.00 C ATOM 653 CD1 TRP A 49 -0.666 3.792 2.522 1.00 0.00 C ATOM 654 CD2 TRP A 49 -2.774 3.688 1.772 1.00 0.00 C ATOM 655 NE1 TRP A 49 -1.056 2.474 2.544 1.00 0.00 N ATOM 656 CE2 TRP A 49 -2.345 2.384 2.090 1.00 0.00 C ATOM 657 CE3 TRP A 49 -4.070 3.871 1.283 1.00 0.00 C ATOM 658 CZ2 TRP A 49 -3.167 1.272 1.931 1.00 0.00 C ATOM 659 CZ3 TRP A 49 -4.884 2.765 1.125 1.00 0.00 C ATOM 660 CH2 TRP A 49 -4.431 1.479 1.449 1.00 0.00 C ATOM 0 H TRP A 49 -1.901 8.300 0.793 1.00 0.00 H new ATOM 0 HA TRP A 49 0.252 6.385 0.970 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -1.304 6.526 2.795 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -2.687 6.414 1.724 1.00 0.00 H new ATOM 0 HD1 TRP A 49 0.304 4.156 2.828 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.479 1.690 2.849 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.429 4.858 1.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -2.819 0.280 2.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.887 2.894 0.745 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.092 0.635 1.316 1.00 0.00 H new ATOM 671 N GLN A 50 -0.371 4.573 -0.675 1.00 0.00 N ATOM 672 CA GLN A 50 -0.561 3.682 -1.814 1.00 0.00 C ATOM 673 C GLN A 50 -0.991 2.293 -1.352 1.00 0.00 C ATOM 674 O GLN A 50 -0.220 1.572 -0.718 1.00 0.00 O ATOM 675 CB GLN A 50 0.728 3.584 -2.632 1.00 0.00 C ATOM 676 CG GLN A 50 0.869 4.679 -3.677 1.00 0.00 C ATOM 677 CD GLN A 50 1.634 4.220 -4.903 1.00 0.00 C ATOM 678 OE1 GLN A 50 2.837 4.454 -5.022 1.00 0.00 O ATOM 679 NE2 GLN A 50 0.938 3.563 -5.824 1.00 0.00 N ATOM 0 H GLN A 50 0.353 4.275 -0.021 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.350 4.097 -2.441 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.582 3.626 -1.956 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.761 2.614 -3.127 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.122 5.019 -3.978 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.379 5.535 -3.235 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.058 3.391 -5.684 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.399 3.230 -6.671 1.00 0.00 H new ATOM 688 N CYS A 51 -2.226 1.924 -1.673 1.00 0.00 N ATOM 689 CA CYS A 51 -2.760 0.622 -1.291 1.00 0.00 C ATOM 690 C CYS A 51 -1.973 -0.504 -1.955 1.00 0.00 C ATOM 691 O CYS A 51 -1.331 -0.320 -2.989 1.00 0.00 O ATOM 692 CB CYS A 51 -4.238 0.522 -1.673 1.00 0.00 C ATOM 693 SG CYS A 51 -4.527 0.031 -3.403 1.00 0.00 S ATOM 0 H CYS A 51 -2.877 2.509 -2.197 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.664 0.520 -0.210 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.724 -0.199 -1.016 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.714 1.486 -1.496 1.00 0.00 H new ATOM 698 N PRO A 52 -2.025 -1.699 -1.348 1.00 0.00 N ATOM 699 CA PRO A 52 -1.324 -2.879 -1.863 1.00 0.00 C ATOM 700 C PRO A 52 -1.940 -3.400 -3.157 1.00 0.00 C ATOM 701 O PRO A 52 -1.451 -4.366 -3.742 1.00 0.00 O ATOM 702 CB PRO A 52 -1.488 -3.907 -0.741 1.00 0.00 C ATOM 703 CG PRO A 52 -2.726 -3.491 -0.024 1.00 0.00 C ATOM 704 CD PRO A 52 -2.771 -1.990 -0.113 1.00 0.00 C ATOM 0 HA PRO A 52 -0.285 -2.660 -2.111 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.582 -4.917 -1.140 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.625 -3.907 -0.075 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.610 -3.936 -0.481 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.705 -3.820 1.015 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.795 -1.621 -0.166 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.308 -1.522 0.756 1.00 0.00 H new ATOM 712 N GLU A 53 -3.015 -2.754 -3.598 1.00 0.00 N ATOM 713 CA GLU A 53 -3.697 -3.154 -4.823 1.00 0.00 C ATOM 714 C GLU A 53 -3.258 -2.287 -5.999 1.00 0.00 C ATOM 715 O GLU A 53 -3.449 -2.651 -7.159 1.00 0.00 O ATOM 716 CB GLU A 53 -5.214 -3.058 -4.643 1.00 0.00 C ATOM 717 CG GLU A 53 -5.719 -3.715 -3.369 1.00 0.00 C ATOM 718 CD GLU A 53 -7.223 -3.906 -3.368 1.00 0.00 C ATOM 719 OE1 GLU A 53 -7.946 -2.932 -3.665 1.00 0.00 O ATOM 720 OE2 GLU A 53 -7.677 -5.031 -3.070 1.00 0.00 O ATOM 0 H GLU A 53 -3.432 -1.952 -3.125 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.428 -4.188 -5.037 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.505 -2.008 -4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.703 -3.522 -5.500 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.233 -4.683 -3.247 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.433 -3.105 -2.512 1.00 0.00 H new ATOM 727 N CYS A 54 -2.668 -1.137 -5.690 1.00 0.00 N ATOM 728 CA CYS A 54 -2.202 -0.215 -6.718 1.00 0.00 C ATOM 729 C CYS A 54 -0.691 -0.017 -6.627 1.00 0.00 C ATOM 730 O CYS A 54 -0.029 0.267 -7.626 1.00 0.00 O ATOM 731 CB CYS A 54 -2.913 1.133 -6.586 1.00 0.00 C ATOM 732 SG CYS A 54 -4.713 1.053 -6.851 1.00 0.00 S ATOM 0 H CYS A 54 -2.501 -0.821 -4.734 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.437 -0.647 -7.691 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.720 1.537 -5.592 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.482 1.831 -7.303 1.00 0.00 H new ATOM 737 N LYS A 55 -0.152 -0.170 -5.422 1.00 0.00 N ATOM 738 CA LYS A 55 1.280 -0.011 -5.199 1.00 0.00 C ATOM 739 C LYS A 55 2.081 -0.901 -6.144 1.00 0.00 C ATOM 740 O LYS A 55 1.622 -1.971 -6.543 1.00 0.00 O ATOM 741 CB LYS A 55 1.631 -0.344 -3.747 1.00 0.00 C ATOM 742 CG LYS A 55 1.742 -1.834 -3.475 1.00 0.00 C ATOM 743 CD LYS A 55 2.114 -2.111 -2.028 1.00 0.00 C ATOM 744 CE LYS A 55 3.622 -2.165 -1.840 1.00 0.00 C ATOM 745 NZ LYS A 55 4.225 -0.804 -1.798 1.00 0.00 N ATOM 0 H LYS A 55 -0.686 -0.404 -4.585 1.00 0.00 H new ATOM 0 HA LYS A 55 1.540 1.028 -5.400 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.576 0.135 -3.491 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.871 0.081 -3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.794 -2.319 -3.707 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.492 -2.270 -4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.694 -1.335 -1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.673 -3.057 -1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.854 -2.694 -0.915 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.069 -2.735 -2.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.084 -0.823 -1.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.470 -0.503 -2.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.542 -0.134 -1.390 1.00 0.00 H new ATOM 759 N VAL A 56 3.282 -0.453 -6.496 1.00 0.00 N ATOM 760 CA VAL A 56 4.148 -1.210 -7.392 1.00 0.00 C ATOM 761 C VAL A 56 5.597 -0.751 -7.274 1.00 0.00 C ATOM 762 O VAL A 56 5.876 0.332 -6.758 1.00 0.00 O ATOM 763 CB VAL A 56 3.695 -1.074 -8.858 1.00 0.00 C ATOM 764 CG1 VAL A 56 2.262 -1.557 -9.021 1.00 0.00 C ATOM 765 CG2 VAL A 56 3.839 0.365 -9.328 1.00 0.00 C ATOM 0 H VAL A 56 3.677 0.431 -6.174 1.00 0.00 H new ATOM 0 HA VAL A 56 4.076 -2.256 -7.093 1.00 0.00 H new ATOM 0 HB VAL A 56 4.336 -1.700 -9.478 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.959 -1.453 -10.063 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.195 -2.604 -8.726 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.603 -0.960 -8.391 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.515 0.443 -10.366 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.223 1.014 -8.706 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.882 0.671 -9.250 1.00 0.00 H new ATOM 775 N CYS A 57 6.516 -1.581 -7.756 1.00 0.00 N ATOM 776 CA CYS A 57 7.937 -1.261 -7.705 1.00 0.00 C ATOM 777 C CYS A 57 8.261 -0.077 -8.612 1.00 0.00 C ATOM 778 O CYS A 57 8.117 -0.159 -9.831 1.00 0.00 O ATOM 779 CB CYS A 57 8.770 -2.476 -8.119 1.00 0.00 C ATOM 780 SG CYS A 57 10.569 -2.222 -7.996 1.00 0.00 S ATOM 0 H CYS A 57 6.302 -2.481 -8.186 1.00 0.00 H new ATOM 0 HA CYS A 57 8.186 -0.990 -6.679 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.490 -3.324 -7.495 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.521 -2.741 -9.147 1.00 0.00 H new ATOM 785 N GLN A 58 8.699 1.022 -8.006 1.00 0.00 N ATOM 786 CA GLN A 58 9.043 2.223 -8.758 1.00 0.00 C ATOM 787 C GLN A 58 10.379 2.054 -9.473 1.00 0.00 C ATOM 788 O GLN A 58 10.693 2.793 -10.405 1.00 0.00 O ATOM 789 CB GLN A 58 9.099 3.435 -7.826 1.00 0.00 C ATOM 790 CG GLN A 58 7.808 3.675 -7.061 1.00 0.00 C ATOM 791 CD GLN A 58 6.577 3.298 -7.861 1.00 0.00 C ATOM 792 OE1 GLN A 58 6.403 2.141 -8.246 1.00 0.00 O ATOM 793 NE2 GLN A 58 5.714 4.274 -8.116 1.00 0.00 N ATOM 0 H GLN A 58 8.824 1.105 -6.997 1.00 0.00 H new ATOM 0 HA GLN A 58 8.269 2.386 -9.508 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.913 3.298 -7.114 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.334 4.323 -8.412 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.826 3.099 -6.136 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.746 4.727 -6.781 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.898 5.219 -7.778 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.867 4.079 -8.650 1.00 0.00 H new ATOM 802 N ASN A 59 11.162 1.075 -9.031 1.00 0.00 N ATOM 803 CA ASN A 59 12.465 0.809 -9.628 1.00 0.00 C ATOM 804 C ASN A 59 12.313 0.281 -11.052 1.00 0.00 C ATOM 805 O ASN A 59 12.893 0.825 -11.992 1.00 0.00 O ATOM 806 CB ASN A 59 13.243 -0.198 -8.779 1.00 0.00 C ATOM 807 CG ASN A 59 13.091 0.060 -7.292 1.00 0.00 C ATOM 808 OD1 ASN A 59 12.450 -0.713 -6.579 1.00 0.00 O ATOM 809 ND2 ASN A 59 13.681 1.150 -6.818 1.00 0.00 N ATOM 0 H ASN A 59 10.916 0.453 -8.261 1.00 0.00 H new ATOM 0 HA ASN A 59 13.019 1.747 -9.664 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.897 -1.206 -9.007 1.00 0.00 H new ATOM 0 HB3 ASN A 59 14.299 -0.156 -9.046 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.614 1.376 -5.826 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.202 1.762 -7.446 1.00 0.00 H new ATOM 816 N CYS A 60 11.530 -0.781 -11.202 1.00 0.00 N ATOM 817 CA CYS A 60 11.301 -1.384 -12.510 1.00 0.00 C ATOM 818 C CYS A 60 9.931 -0.992 -13.057 1.00 0.00 C ATOM 819 O CYS A 60 9.632 -1.212 -14.231 1.00 0.00 O ATOM 820 CB CYS A 60 11.410 -2.907 -12.419 1.00 0.00 C ATOM 821 SG CYS A 60 10.177 -3.676 -11.320 1.00 0.00 S ATOM 0 H CYS A 60 11.043 -1.243 -10.434 1.00 0.00 H new ATOM 0 HA CYS A 60 12.065 -1.012 -13.193 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.303 -3.329 -13.418 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.408 -3.169 -12.067 1.00 0.00 H new ATOM 826 N LYS A 61 9.101 -0.410 -12.197 1.00 0.00 N ATOM 827 CA LYS A 61 7.763 0.014 -12.592 1.00 0.00 C ATOM 828 C LYS A 61 6.897 -1.187 -12.955 1.00 0.00 C ATOM 829 O LYS A 61 6.240 -1.198 -13.996 1.00 0.00 O ATOM 830 CB LYS A 61 7.841 0.977 -13.779 1.00 0.00 C ATOM 831 CG LYS A 61 8.732 2.181 -13.527 1.00 0.00 C ATOM 832 CD LYS A 61 8.061 3.190 -12.610 1.00 0.00 C ATOM 833 CE LYS A 61 8.799 4.520 -12.610 1.00 0.00 C ATOM 834 NZ LYS A 61 8.475 5.335 -13.813 1.00 0.00 N ATOM 0 H LYS A 61 9.332 -0.221 -11.222 1.00 0.00 H new ATOM 0 HA LYS A 61 7.306 0.526 -11.745 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.212 0.437 -14.650 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.836 1.323 -14.022 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.671 1.853 -13.082 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.978 2.658 -14.476 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.030 3.345 -12.929 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.024 2.793 -11.595 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.539 5.080 -11.712 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.873 4.339 -12.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.998 6.233 -13.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.747 4.812 -14.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.454 5.530 -13.836 1.00 0.00 H new ATOM 848 N GLN A 62 6.899 -2.196 -12.089 1.00 0.00 N ATOM 849 CA GLN A 62 6.111 -3.401 -12.320 1.00 0.00 C ATOM 850 C GLN A 62 5.495 -3.906 -11.019 1.00 0.00 C ATOM 851 O GLN A 62 6.156 -3.947 -9.982 1.00 0.00 O ATOM 852 CB GLN A 62 6.982 -4.494 -12.942 1.00 0.00 C ATOM 853 CG GLN A 62 7.422 -4.185 -14.364 1.00 0.00 C ATOM 854 CD GLN A 62 6.420 -4.656 -15.400 1.00 0.00 C ATOM 855 OE1 GLN A 62 5.945 -5.791 -15.349 1.00 0.00 O ATOM 856 NE2 GLN A 62 6.094 -3.785 -16.348 1.00 0.00 N ATOM 0 H GLN A 62 7.437 -2.203 -11.222 1.00 0.00 H new ATOM 0 HA GLN A 62 5.305 -3.151 -13.010 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.866 -4.640 -12.321 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.430 -5.434 -12.937 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.570 -3.110 -14.469 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.385 -4.659 -14.554 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.512 -2.855 -16.352 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.425 -4.046 -17.073 1.00 0.00 H new ATOM 865 N SER A 63 4.223 -4.288 -11.082 1.00 0.00 N ATOM 866 CA SER A 63 3.516 -4.786 -9.908 1.00 0.00 C ATOM 867 C SER A 63 3.803 -6.269 -9.689 1.00 0.00 C ATOM 868 O SER A 63 3.205 -6.907 -8.824 1.00 0.00 O ATOM 869 CB SER A 63 2.010 -4.564 -10.062 1.00 0.00 C ATOM 870 OG SER A 63 1.469 -5.409 -11.063 1.00 0.00 O ATOM 0 H SER A 63 3.662 -4.262 -11.933 1.00 0.00 H new ATOM 0 HA SER A 63 3.871 -4.233 -9.039 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.512 -4.756 -9.112 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.817 -3.522 -10.318 1.00 0.00 H new ATOM 0 HG SER A 63 0.505 -5.249 -11.141 1.00 0.00 H new ATOM 876 N GLY A 64 4.723 -6.810 -10.482 1.00 0.00 N ATOM 877 CA GLY A 64 5.074 -8.213 -10.360 1.00 0.00 C ATOM 878 C GLY A 64 5.917 -8.495 -9.132 1.00 0.00 C ATOM 879 O GLY A 64 6.175 -7.599 -8.330 1.00 0.00 O ATOM 0 H GLY A 64 5.231 -6.302 -11.206 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.163 -8.810 -10.316 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.618 -8.527 -11.251 1.00 0.00 H new ATOM 883 N GLU A 65 6.347 -9.745 -8.986 1.00 0.00 N ATOM 884 CA GLU A 65 7.165 -10.142 -7.845 1.00 0.00 C ATOM 885 C GLU A 65 6.633 -9.526 -6.554 1.00 0.00 C ATOM 886 O GLU A 65 7.370 -8.871 -5.817 1.00 0.00 O ATOM 887 CB GLU A 65 8.620 -9.722 -8.062 1.00 0.00 C ATOM 888 CG GLU A 65 9.240 -10.303 -9.322 1.00 0.00 C ATOM 889 CD GLU A 65 8.767 -9.603 -10.581 1.00 0.00 C ATOM 890 OE1 GLU A 65 9.332 -8.541 -10.916 1.00 0.00 O ATOM 891 OE2 GLU A 65 7.833 -10.117 -11.230 1.00 0.00 O ATOM 0 H GLU A 65 6.143 -10.499 -9.642 1.00 0.00 H new ATOM 0 HA GLU A 65 7.117 -11.227 -7.756 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.672 -8.634 -8.110 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.211 -10.032 -7.200 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.325 -10.229 -9.256 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.996 -11.363 -9.387 1.00 0.00 H new ATOM 898 N ASP A 66 5.350 -9.742 -6.288 1.00 0.00 N ATOM 899 CA ASP A 66 4.718 -9.209 -5.086 1.00 0.00 C ATOM 900 C ASP A 66 5.330 -9.826 -3.832 1.00 0.00 C ATOM 901 O ASP A 66 5.696 -9.117 -2.895 1.00 0.00 O ATOM 902 CB ASP A 66 3.212 -9.472 -5.117 1.00 0.00 C ATOM 903 CG ASP A 66 2.598 -9.485 -3.730 1.00 0.00 C ATOM 904 OD1 ASP A 66 2.739 -8.474 -3.011 1.00 0.00 O ATOM 905 OD2 ASP A 66 1.978 -10.506 -3.365 1.00 0.00 O ATOM 0 H ASP A 66 4.727 -10.282 -6.888 1.00 0.00 H new ATOM 0 HA ASP A 66 4.890 -8.133 -5.061 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.725 -8.706 -5.720 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.023 -10.429 -5.604 1.00 0.00 H new ATOM 910 N SER A 67 5.435 -11.151 -3.822 1.00 0.00 N ATOM 911 CA SER A 67 5.998 -11.864 -2.681 1.00 0.00 C ATOM 912 C SER A 67 7.316 -11.234 -2.243 1.00 0.00 C ATOM 913 O SER A 67 7.439 -10.734 -1.124 1.00 0.00 O ATOM 914 CB SER A 67 6.215 -13.338 -3.030 1.00 0.00 C ATOM 915 OG SER A 67 4.988 -13.973 -3.345 1.00 0.00 O ATOM 0 H SER A 67 5.138 -11.752 -4.591 1.00 0.00 H new ATOM 0 HA SER A 67 5.290 -11.794 -1.855 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.897 -13.418 -3.876 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.687 -13.848 -2.190 1.00 0.00 H new ATOM 0 HG SER A 67 5.154 -14.913 -3.566 1.00 0.00 H new ATOM 921 N LYS A 68 8.302 -11.261 -3.133 1.00 0.00 N ATOM 922 CA LYS A 68 9.613 -10.692 -2.842 1.00 0.00 C ATOM 923 C LYS A 68 9.498 -9.212 -2.490 1.00 0.00 C ATOM 924 O LYS A 68 10.163 -8.729 -1.574 1.00 0.00 O ATOM 925 CB LYS A 68 10.547 -10.870 -4.041 1.00 0.00 C ATOM 926 CG LYS A 68 10.776 -12.323 -4.423 1.00 0.00 C ATOM 927 CD LYS A 68 11.540 -12.442 -5.730 1.00 0.00 C ATOM 928 CE LYS A 68 11.860 -13.892 -6.059 1.00 0.00 C ATOM 929 NZ LYS A 68 12.925 -14.439 -5.173 1.00 0.00 N ATOM 0 H LYS A 68 8.218 -11.671 -4.063 1.00 0.00 H new ATOM 0 HA LYS A 68 10.028 -11.221 -1.984 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.131 -10.339 -4.897 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.507 -10.407 -3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.330 -12.826 -3.630 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.816 -12.832 -4.514 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.952 -12.006 -6.537 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.465 -11.870 -5.665 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.958 -14.495 -5.958 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.178 -13.967 -7.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.198 -15.387 -5.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.754 -13.811 -5.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.568 -14.502 -4.198 1.00 0.00 H new ATOM 943 N MET A 69 8.649 -8.499 -3.222 1.00 0.00 N ATOM 944 CA MET A 69 8.445 -7.074 -2.984 1.00 0.00 C ATOM 945 C MET A 69 8.592 -6.744 -1.502 1.00 0.00 C ATOM 946 O MET A 69 8.019 -7.419 -0.646 1.00 0.00 O ATOM 947 CB MET A 69 7.062 -6.646 -3.479 1.00 0.00 C ATOM 948 CG MET A 69 6.888 -5.138 -3.564 1.00 0.00 C ATOM 949 SD MET A 69 5.246 -4.660 -4.136 1.00 0.00 S ATOM 950 CE MET A 69 5.660 -3.711 -5.598 1.00 0.00 C ATOM 0 H MET A 69 8.091 -8.884 -3.984 1.00 0.00 H new ATOM 0 HA MET A 69 9.207 -6.525 -3.537 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.887 -7.080 -4.463 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.303 -7.054 -2.811 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.069 -4.699 -2.583 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.638 -4.727 -4.240 1.00 0.00 H new ATOM 0 HE1 MET A 69 5.552 -2.648 -5.384 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.690 -3.920 -5.888 1.00 0.00 H new ATOM 0 HE3 MET A 69 4.991 -3.987 -6.413 1.00 0.00 H new ATOM 960 N LEU A 70 9.363 -5.704 -1.207 1.00 0.00 N ATOM 961 CA LEU A 70 9.586 -5.284 0.173 1.00 0.00 C ATOM 962 C LEU A 70 8.774 -4.035 0.500 1.00 0.00 C ATOM 963 O LEU A 70 9.091 -2.937 0.042 1.00 0.00 O ATOM 964 CB LEU A 70 11.073 -5.016 0.411 1.00 0.00 C ATOM 965 CG LEU A 70 11.990 -6.239 0.377 1.00 0.00 C ATOM 966 CD1 LEU A 70 13.392 -5.843 -0.058 1.00 0.00 C ATOM 967 CD2 LEU A 70 12.023 -6.919 1.737 1.00 0.00 C ATOM 0 H LEU A 70 9.844 -5.136 -1.904 1.00 0.00 H new ATOM 0 HA LEU A 70 9.259 -6.090 0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.419 -4.307 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.183 -4.531 1.381 1.00 0.00 H new ATOM 0 HG LEU A 70 11.593 -6.947 -0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.030 -6.726 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.353 -5.403 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.799 -5.116 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.681 -7.787 1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.395 -6.219 2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.017 -7.239 2.008 1.00 0.00 H new ATOM 979 N VAL A 71 7.725 -4.210 1.298 1.00 0.00 N ATOM 980 CA VAL A 71 6.868 -3.097 1.689 1.00 0.00 C ATOM 981 C VAL A 71 7.463 -2.334 2.868 1.00 0.00 C ATOM 982 O VAL A 71 7.574 -2.866 3.973 1.00 0.00 O ATOM 983 CB VAL A 71 5.455 -3.581 2.065 1.00 0.00 C ATOM 984 CG1 VAL A 71 4.581 -2.407 2.479 1.00 0.00 C ATOM 985 CG2 VAL A 71 4.828 -4.342 0.908 1.00 0.00 C ATOM 0 H VAL A 71 7.448 -5.112 1.686 1.00 0.00 H new ATOM 0 HA VAL A 71 6.798 -2.433 0.827 1.00 0.00 H new ATOM 0 HB VAL A 71 5.536 -4.259 2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.587 -2.768 2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.025 -1.909 3.341 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.504 -1.701 1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.830 -4.677 1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.759 -3.689 0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.445 -5.207 0.664 1.00 0.00 H new ATOM 995 N CYS A 72 7.843 -1.084 2.626 1.00 0.00 N ATOM 996 CA CYS A 72 8.427 -0.247 3.667 1.00 0.00 C ATOM 997 C CYS A 72 7.416 0.023 4.778 1.00 0.00 C ATOM 998 O CYS A 72 6.301 0.478 4.520 1.00 0.00 O ATOM 999 CB CYS A 72 8.914 1.076 3.073 1.00 0.00 C ATOM 1000 SG CYS A 72 9.647 2.214 4.292 1.00 0.00 S ATOM 0 H CYS A 72 7.757 -0.628 1.718 1.00 0.00 H new ATOM 0 HA CYS A 72 9.276 -0.780 4.094 1.00 0.00 H new ATOM 0 HB2 CYS A 72 9.652 0.865 2.300 1.00 0.00 H new ATOM 0 HB3 CYS A 72 8.075 1.574 2.586 1.00 0.00 H new ATOM 1005 N ASP A 73 7.814 -0.260 6.013 1.00 0.00 N ATOM 1006 CA ASP A 73 6.944 -0.046 7.164 1.00 0.00 C ATOM 1007 C ASP A 73 7.005 1.405 7.629 1.00 0.00 C ATOM 1008 O ASP A 73 6.767 1.705 8.800 1.00 0.00 O ATOM 1009 CB ASP A 73 7.341 -0.979 8.310 1.00 0.00 C ATOM 1010 CG ASP A 73 8.353 -0.347 9.246 1.00 0.00 C ATOM 1011 OD1 ASP A 73 9.429 0.065 8.766 1.00 0.00 O ATOM 1012 OD2 ASP A 73 8.067 -0.265 10.459 1.00 0.00 O ATOM 0 H ASP A 73 8.733 -0.638 6.243 1.00 0.00 H new ATOM 0 HA ASP A 73 5.921 -0.269 6.862 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.451 -1.255 8.875 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.756 -1.899 7.899 1.00 0.00 H new ATOM 1017 N THR A 74 7.326 2.305 6.704 1.00 0.00 N ATOM 1018 CA THR A 74 7.420 3.725 7.019 1.00 0.00 C ATOM 1019 C THR A 74 6.665 4.566 5.996 1.00 0.00 C ATOM 1020 O THR A 74 5.892 5.454 6.356 1.00 0.00 O ATOM 1021 CB THR A 74 8.886 4.193 7.071 1.00 0.00 C ATOM 1022 OG1 THR A 74 9.635 3.360 7.963 1.00 0.00 O ATOM 1023 CG2 THR A 74 8.977 5.642 7.526 1.00 0.00 C ATOM 0 H THR A 74 7.525 2.075 5.730 1.00 0.00 H new ATOM 0 HA THR A 74 6.968 3.862 8.002 1.00 0.00 H new ATOM 0 HB THR A 74 9.303 4.118 6.067 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.875 3.871 8.764 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.022 5.949 7.555 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.431 6.277 6.829 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.543 5.739 8.521 1.00 0.00 H new ATOM 1031 N CYS A 75 6.895 4.282 4.718 1.00 0.00 N ATOM 1032 CA CYS A 75 6.237 5.012 3.642 1.00 0.00 C ATOM 1033 C CYS A 75 5.316 4.093 2.844 1.00 0.00 C ATOM 1034 O CYS A 75 4.276 4.521 2.345 1.00 0.00 O ATOM 1035 CB CYS A 75 7.278 5.640 2.713 1.00 0.00 C ATOM 1036 SG CYS A 75 8.228 4.432 1.736 1.00 0.00 S ATOM 0 H CYS A 75 7.533 3.551 4.403 1.00 0.00 H new ATOM 0 HA CYS A 75 5.634 5.802 4.089 1.00 0.00 H new ATOM 0 HB2 CYS A 75 6.775 6.326 2.032 1.00 0.00 H new ATOM 0 HB3 CYS A 75 7.971 6.234 3.310 1.00 0.00 H new ATOM 1041 N ASP A 76 5.707 2.828 2.730 1.00 0.00 N ATOM 1042 CA ASP A 76 4.917 1.847 1.995 1.00 0.00 C ATOM 1043 C ASP A 76 4.855 2.201 0.512 1.00 0.00 C ATOM 1044 O ASP A 76 3.773 2.327 -0.063 1.00 0.00 O ATOM 1045 CB ASP A 76 3.503 1.764 2.572 1.00 0.00 C ATOM 1046 CG ASP A 76 2.900 0.380 2.428 1.00 0.00 C ATOM 1047 OD1 ASP A 76 2.532 0.008 1.295 1.00 0.00 O ATOM 1048 OD2 ASP A 76 2.798 -0.331 3.450 1.00 0.00 O ATOM 0 H ASP A 76 6.566 2.458 3.137 1.00 0.00 H new ATOM 0 HA ASP A 76 5.401 0.876 2.098 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.527 2.039 3.626 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.865 2.490 2.068 1.00 0.00 H new ATOM 1053 N LYS A 77 6.022 2.361 -0.102 1.00 0.00 N ATOM 1054 CA LYS A 77 6.102 2.700 -1.518 1.00 0.00 C ATOM 1055 C LYS A 77 6.120 1.441 -2.379 1.00 0.00 C ATOM 1056 O LYS A 77 5.321 1.298 -3.303 1.00 0.00 O ATOM 1057 CB LYS A 77 7.353 3.537 -1.793 1.00 0.00 C ATOM 1058 CG LYS A 77 7.157 5.023 -1.551 1.00 0.00 C ATOM 1059 CD LYS A 77 6.407 5.681 -2.697 1.00 0.00 C ATOM 1060 CE LYS A 77 5.841 7.033 -2.290 1.00 0.00 C ATOM 1061 NZ LYS A 77 4.834 7.530 -3.268 1.00 0.00 N ATOM 0 H LYS A 77 6.926 2.261 0.359 1.00 0.00 H new ATOM 0 HA LYS A 77 5.218 3.283 -1.777 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.166 3.179 -1.161 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.662 3.384 -2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.607 5.172 -0.622 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.128 5.503 -1.427 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.078 5.807 -3.547 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.597 5.030 -3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.382 6.953 -1.305 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.652 7.756 -2.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.472 8.453 -2.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.278 7.631 -4.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.047 6.853 -3.330 1.00 0.00 H new ATOM 1075 N GLY A 78 7.036 0.529 -2.068 1.00 0.00 N ATOM 1076 CA GLY A 78 7.140 -0.706 -2.822 1.00 0.00 C ATOM 1077 C GLY A 78 8.460 -0.829 -3.556 1.00 0.00 C ATOM 1078 O GLY A 78 8.724 -0.084 -4.500 1.00 0.00 O ATOM 0 H GLY A 78 7.708 0.624 -1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.025 -1.552 -2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.322 -0.759 -3.541 1.00 0.00 H new ATOM 1082 N TYR A 79 9.291 -1.769 -3.123 1.00 0.00 N ATOM 1083 CA TYR A 79 10.593 -1.983 -3.743 1.00 0.00 C ATOM 1084 C TYR A 79 10.977 -3.460 -3.709 1.00 0.00 C ATOM 1085 O TYR A 79 11.045 -4.071 -2.642 1.00 0.00 O ATOM 1086 CB TYR A 79 11.663 -1.151 -3.034 1.00 0.00 C ATOM 1087 CG TYR A 79 11.348 0.327 -2.987 1.00 0.00 C ATOM 1088 CD1 TYR A 79 11.376 1.100 -4.141 1.00 0.00 C ATOM 1089 CD2 TYR A 79 11.020 0.950 -1.789 1.00 0.00 C ATOM 1090 CE1 TYR A 79 11.090 2.451 -4.103 1.00 0.00 C ATOM 1091 CE2 TYR A 79 10.731 2.300 -1.742 1.00 0.00 C ATOM 1092 CZ TYR A 79 10.767 3.046 -2.901 1.00 0.00 C ATOM 1093 OH TYR A 79 10.480 4.391 -2.859 1.00 0.00 O ATOM 0 H TYR A 79 9.087 -2.396 -2.345 1.00 0.00 H new ATOM 0 HA TYR A 79 10.527 -1.667 -4.784 1.00 0.00 H new ATOM 0 HB2 TYR A 79 11.783 -1.521 -2.016 1.00 0.00 H new ATOM 0 HB3 TYR A 79 12.618 -1.295 -3.540 1.00 0.00 H new ATOM 0 HD1 TYR A 79 11.626 0.637 -5.084 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.991 0.369 -0.879 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.119 3.038 -5.009 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.478 2.769 -0.802 1.00 0.00 H new ATOM 0 HH TYR A 79 10.272 4.653 -1.938 1.00 0.00 H new ATOM 1103 N HIS A 80 11.227 -4.027 -4.885 1.00 0.00 N ATOM 1104 CA HIS A 80 11.605 -5.431 -4.992 1.00 0.00 C ATOM 1105 C HIS A 80 12.966 -5.678 -4.348 1.00 0.00 C ATOM 1106 O HIS A 80 13.693 -4.737 -4.027 1.00 0.00 O ATOM 1107 CB HIS A 80 11.635 -5.864 -6.458 1.00 0.00 C ATOM 1108 CG HIS A 80 10.289 -5.848 -7.115 1.00 0.00 C ATOM 1109 ND1 HIS A 80 10.115 -5.662 -8.470 1.00 0.00 N ATOM 1110 CD2 HIS A 80 9.048 -5.999 -6.595 1.00 0.00 C ATOM 1111 CE1 HIS A 80 8.825 -5.697 -8.755 1.00 0.00 C ATOM 1112 NE2 HIS A 80 8.157 -5.901 -7.634 1.00 0.00 N ATOM 0 H HIS A 80 11.175 -3.535 -5.777 1.00 0.00 H new ATOM 0 HA HIS A 80 10.859 -6.023 -4.462 1.00 0.00 H new ATOM 0 HB2 HIS A 80 12.307 -5.206 -7.009 1.00 0.00 H new ATOM 0 HB3 HIS A 80 12.050 -6.870 -6.523 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.805 -6.166 -5.556 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.391 -5.579 -9.737 1.00 0.00 H new ATOM 0 HE2 HIS A 80 7.143 -5.974 -7.554 1.00 0.00 H new ATOM 1120 N THR A 81 13.306 -6.950 -4.161 1.00 0.00 N ATOM 1121 CA THR A 81 14.578 -7.320 -3.555 1.00 0.00 C ATOM 1122 C THR A 81 15.710 -7.266 -4.575 1.00 0.00 C ATOM 1123 O THR A 81 16.850 -6.947 -4.235 1.00 0.00 O ATOM 1124 CB THR A 81 14.519 -8.733 -2.945 1.00 0.00 C ATOM 1125 OG1 THR A 81 13.988 -9.658 -3.901 1.00 0.00 O ATOM 1126 CG2 THR A 81 13.661 -8.746 -1.689 1.00 0.00 C ATOM 0 H THR A 81 12.717 -7.741 -4.421 1.00 0.00 H new ATOM 0 HA THR A 81 14.772 -6.597 -2.762 1.00 0.00 H new ATOM 0 HB THR A 81 15.533 -9.030 -2.676 1.00 0.00 H new ATOM 0 HG1 THR A 81 13.955 -10.554 -3.506 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.635 -9.755 -1.277 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.084 -8.064 -0.952 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.648 -8.429 -1.937 1.00 0.00 H new ATOM 1134 N PHE A 82 15.388 -7.578 -5.826 1.00 0.00 N ATOM 1135 CA PHE A 82 16.379 -7.565 -6.896 1.00 0.00 C ATOM 1136 C PHE A 82 16.289 -6.274 -7.704 1.00 0.00 C ATOM 1137 O PHE A 82 16.679 -6.231 -8.872 1.00 0.00 O ATOM 1138 CB PHE A 82 16.183 -8.771 -7.816 1.00 0.00 C ATOM 1139 CG PHE A 82 15.000 -8.641 -8.732 1.00 0.00 C ATOM 1140 CD1 PHE A 82 13.712 -8.800 -8.249 1.00 0.00 C ATOM 1141 CD2 PHE A 82 15.178 -8.358 -10.077 1.00 0.00 C ATOM 1142 CE1 PHE A 82 12.621 -8.680 -9.090 1.00 0.00 C ATOM 1143 CE2 PHE A 82 14.091 -8.237 -10.923 1.00 0.00 C ATOM 1144 CZ PHE A 82 12.811 -8.399 -10.429 1.00 0.00 C ATOM 0 H PHE A 82 14.449 -7.843 -6.124 1.00 0.00 H new ATOM 0 HA PHE A 82 17.368 -7.621 -6.442 1.00 0.00 H new ATOM 0 HB2 PHE A 82 17.083 -8.910 -8.415 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.064 -9.667 -7.207 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.558 -9.020 -7.203 1.00 0.00 H new ATOM 0 HD2 PHE A 82 16.176 -8.231 -10.469 1.00 0.00 H new ATOM 0 HE1 PHE A 82 11.622 -8.806 -8.700 1.00 0.00 H new ATOM 0 HE2 PHE A 82 14.242 -8.016 -11.969 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.961 -8.306 -11.088 1.00 0.00 H new ATOM 1154 N CYS A 83 15.771 -5.224 -7.076 1.00 0.00 N ATOM 1155 CA CYS A 83 15.627 -3.932 -7.735 1.00 0.00 C ATOM 1156 C CYS A 83 16.316 -2.832 -6.933 1.00 0.00 C ATOM 1157 O CYS A 83 16.666 -1.781 -7.471 1.00 0.00 O ATOM 1158 CB CYS A 83 14.147 -3.592 -7.920 1.00 0.00 C ATOM 1159 SG CYS A 83 13.338 -4.506 -9.272 1.00 0.00 S ATOM 0 H CYS A 83 15.444 -5.243 -6.110 1.00 0.00 H new ATOM 0 HA CYS A 83 16.103 -3.997 -8.713 1.00 0.00 H new ATOM 0 HB2 CYS A 83 13.619 -3.798 -6.989 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.052 -2.523 -8.110 1.00 0.00 H new ATOM 1164 N LEU A 84 16.509 -3.082 -5.642 1.00 0.00 N ATOM 1165 CA LEU A 84 17.157 -2.114 -4.764 1.00 0.00 C ATOM 1166 C LEU A 84 18.639 -1.980 -5.100 1.00 0.00 C ATOM 1167 O LEU A 84 19.203 -2.817 -5.804 1.00 0.00 O ATOM 1168 CB LEU A 84 16.990 -2.530 -3.302 1.00 0.00 C ATOM 1169 CG LEU A 84 15.601 -2.316 -2.698 1.00 0.00 C ATOM 1170 CD1 LEU A 84 15.400 -3.219 -1.490 1.00 0.00 C ATOM 1171 CD2 LEU A 84 15.406 -0.857 -2.313 1.00 0.00 C ATOM 0 H LEU A 84 16.226 -3.947 -5.181 1.00 0.00 H new ATOM 0 HA LEU A 84 16.680 -1.146 -4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.244 -3.586 -3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.714 -1.978 -2.703 1.00 0.00 H new ATOM 0 HG LEU A 84 14.855 -2.576 -3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.407 -3.053 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.497 -4.261 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.153 -2.990 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.412 -0.723 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.159 -0.571 -1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.507 -0.230 -3.199 1.00 0.00 H new ATOM 1183 N GLN A 85 19.263 -0.923 -4.590 1.00 0.00 N ATOM 1184 CA GLN A 85 20.680 -0.681 -4.835 1.00 0.00 C ATOM 1185 C GLN A 85 21.385 -0.235 -3.559 1.00 0.00 C ATOM 1186 O GLN A 85 21.293 0.920 -3.141 1.00 0.00 O ATOM 1187 CB GLN A 85 20.857 0.376 -5.927 1.00 0.00 C ATOM 1188 CG GLN A 85 20.402 -0.087 -7.301 1.00 0.00 C ATOM 1189 CD GLN A 85 20.774 0.891 -8.399 1.00 0.00 C ATOM 1190 OE1 GLN A 85 21.540 1.829 -8.177 1.00 0.00 O ATOM 1191 NE2 GLN A 85 20.232 0.676 -9.592 1.00 0.00 N ATOM 0 H GLN A 85 18.810 -0.221 -4.005 1.00 0.00 H new ATOM 0 HA GLN A 85 21.130 -1.616 -5.168 1.00 0.00 H new ATOM 0 HB2 GLN A 85 20.298 1.270 -5.650 1.00 0.00 H new ATOM 0 HB3 GLN A 85 21.908 0.661 -5.978 1.00 0.00 H new ATOM 0 HG2 GLN A 85 20.847 -1.058 -7.519 1.00 0.00 H new ATOM 0 HG3 GLN A 85 19.321 -0.226 -7.294 1.00 0.00 H new ATOM 0 HE21 GLN A 85 19.602 -0.114 -9.731 1.00 0.00 H new ATOM 0 HE22 GLN A 85 20.446 1.301 -10.369 1.00 0.00 H new ATOM 1200 N PRO A 86 22.106 -1.169 -2.922 1.00 0.00 N ATOM 1201 CA PRO A 86 22.223 -2.547 -3.409 1.00 0.00 C ATOM 1202 C PRO A 86 20.916 -3.322 -3.274 1.00 0.00 C ATOM 1203 O PRO A 86 19.942 -2.823 -2.710 1.00 0.00 O ATOM 1204 CB PRO A 86 23.300 -3.153 -2.507 1.00 0.00 C ATOM 1205 CG PRO A 86 23.244 -2.346 -1.256 1.00 0.00 C ATOM 1206 CD PRO A 86 22.863 -0.953 -1.678 1.00 0.00 C ATOM 0 HA PRO A 86 22.467 -2.585 -4.471 1.00 0.00 H new ATOM 0 HB2 PRO A 86 23.103 -4.206 -2.308 1.00 0.00 H new ATOM 0 HB3 PRO A 86 24.284 -3.095 -2.972 1.00 0.00 H new ATOM 0 HG2 PRO A 86 22.513 -2.756 -0.559 1.00 0.00 H new ATOM 0 HG3 PRO A 86 24.207 -2.349 -0.746 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.258 -0.455 -0.921 1.00 0.00 H new ATOM 0 HD3 PRO A 86 23.741 -0.329 -1.845 1.00 0.00 H new ATOM 1214 N VAL A 87 20.903 -4.545 -3.794 1.00 0.00 N ATOM 1215 CA VAL A 87 19.716 -5.390 -3.729 1.00 0.00 C ATOM 1216 C VAL A 87 19.717 -6.242 -2.465 1.00 0.00 C ATOM 1217 O VAL A 87 20.760 -6.454 -1.847 1.00 0.00 O ATOM 1218 CB VAL A 87 19.617 -6.314 -4.957 1.00 0.00 C ATOM 1219 CG1 VAL A 87 18.965 -5.586 -6.122 1.00 0.00 C ATOM 1220 CG2 VAL A 87 20.994 -6.833 -5.345 1.00 0.00 C ATOM 0 H VAL A 87 21.700 -4.973 -4.265 1.00 0.00 H new ATOM 0 HA VAL A 87 18.853 -4.724 -3.714 1.00 0.00 H new ATOM 0 HB VAL A 87 18.991 -7.168 -4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 87 18.904 -6.255 -6.981 1.00 0.00 H new ATOM 0 HG12 VAL A 87 17.962 -5.268 -5.837 1.00 0.00 H new ATOM 0 HG13 VAL A 87 19.561 -4.712 -6.385 1.00 0.00 H new ATOM 0 HG21 VAL A 87 20.906 -7.484 -6.215 1.00 0.00 H new ATOM 0 HG22 VAL A 87 21.645 -5.993 -5.586 1.00 0.00 H new ATOM 0 HG23 VAL A 87 21.419 -7.394 -4.513 1.00 0.00 H new ATOM 1230 N MET A 88 18.540 -6.729 -2.085 1.00 0.00 N ATOM 1231 CA MET A 88 18.405 -7.560 -0.894 1.00 0.00 C ATOM 1232 C MET A 88 18.188 -9.022 -1.273 1.00 0.00 C ATOM 1233 O MET A 88 17.066 -9.526 -1.226 1.00 0.00 O ATOM 1234 CB MET A 88 17.242 -7.067 -0.031 1.00 0.00 C ATOM 1235 CG MET A 88 17.533 -5.762 0.692 1.00 0.00 C ATOM 1236 SD MET A 88 18.228 -6.019 2.336 1.00 0.00 S ATOM 1237 CE MET A 88 16.821 -5.607 3.366 1.00 0.00 C ATOM 0 H MET A 88 17.666 -6.563 -2.584 1.00 0.00 H new ATOM 0 HA MET A 88 19.330 -7.484 -0.322 1.00 0.00 H new ATOM 0 HB2 MET A 88 16.363 -6.935 -0.661 1.00 0.00 H new ATOM 0 HB3 MET A 88 16.995 -7.833 0.704 1.00 0.00 H new ATOM 0 HG2 MET A 88 18.227 -5.168 0.097 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.612 -5.185 0.777 1.00 0.00 H new ATOM 0 HE1 MET A 88 16.798 -6.269 4.232 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.906 -4.573 3.702 1.00 0.00 H new ATOM 0 HE3 MET A 88 15.902 -5.728 2.792 1.00 0.00 H new ATOM 1247 N LYS A 89 19.268 -9.697 -1.650 1.00 0.00 N ATOM 1248 CA LYS A 89 19.197 -11.102 -2.036 1.00 0.00 C ATOM 1249 C LYS A 89 18.154 -11.842 -1.205 1.00 0.00 C ATOM 1250 O LYS A 89 17.436 -12.702 -1.716 1.00 0.00 O ATOM 1251 CB LYS A 89 20.565 -11.768 -1.870 1.00 0.00 C ATOM 1252 CG LYS A 89 20.794 -12.932 -2.818 1.00 0.00 C ATOM 1253 CD LYS A 89 21.534 -12.494 -4.070 1.00 0.00 C ATOM 1254 CE LYS A 89 20.570 -12.129 -5.188 1.00 0.00 C ATOM 1255 NZ LYS A 89 19.893 -13.329 -5.752 1.00 0.00 N ATOM 0 H LYS A 89 20.204 -9.294 -1.697 1.00 0.00 H new ATOM 0 HA LYS A 89 18.902 -11.151 -3.084 1.00 0.00 H new ATOM 0 HB2 LYS A 89 21.344 -11.023 -2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 89 20.666 -12.121 -0.844 1.00 0.00 H new ATOM 0 HG2 LYS A 89 21.365 -13.709 -2.310 1.00 0.00 H new ATOM 0 HG3 LYS A 89 19.835 -13.370 -3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 89 22.166 -11.637 -3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 89 22.193 -13.296 -4.404 1.00 0.00 H new ATOM 0 HE2 LYS A 89 19.821 -11.434 -4.809 1.00 0.00 H new ATOM 0 HE3 LYS A 89 21.112 -11.612 -5.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.492 -13.096 -6.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 20.583 -14.100 -5.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.130 -13.630 -5.112 1.00 0.00 H new ATOM 1269 N SER A 90 18.077 -11.503 0.078 1.00 0.00 N ATOM 1270 CA SER A 90 17.123 -12.138 0.980 1.00 0.00 C ATOM 1271 C SER A 90 16.221 -11.097 1.637 1.00 0.00 C ATOM 1272 O SER A 90 16.419 -9.894 1.472 1.00 0.00 O ATOM 1273 CB SER A 90 17.861 -12.941 2.053 1.00 0.00 C ATOM 1274 OG SER A 90 18.841 -12.148 2.699 1.00 0.00 O ATOM 0 H SER A 90 18.663 -10.793 0.516 1.00 0.00 H new ATOM 0 HA SER A 90 16.501 -12.814 0.394 1.00 0.00 H new ATOM 0 HB2 SER A 90 17.148 -13.313 2.788 1.00 0.00 H new ATOM 0 HB3 SER A 90 18.334 -13.812 1.599 1.00 0.00 H new ATOM 0 HG SER A 90 19.297 -12.683 3.381 1.00 0.00 H new ATOM 1280 N VAL A 91 15.229 -11.571 2.385 1.00 0.00 N ATOM 1281 CA VAL A 91 14.297 -10.683 3.069 1.00 0.00 C ATOM 1282 C VAL A 91 14.525 -10.703 4.577 1.00 0.00 C ATOM 1283 O VAL A 91 14.763 -11.749 5.180 1.00 0.00 O ATOM 1284 CB VAL A 91 12.835 -11.071 2.777 1.00 0.00 C ATOM 1285 CG1 VAL A 91 11.881 -10.189 3.567 1.00 0.00 C ATOM 1286 CG2 VAL A 91 12.549 -10.979 1.286 1.00 0.00 C ATOM 0 H VAL A 91 15.051 -12.564 2.532 1.00 0.00 H new ATOM 0 HA VAL A 91 14.481 -9.678 2.690 1.00 0.00 H new ATOM 0 HB VAL A 91 12.680 -12.103 3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 91 10.853 -10.478 3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.073 -10.310 4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 91 12.033 -9.147 3.287 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.512 -11.256 1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 91 12.720 -9.958 0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.210 -11.657 0.746 1.00 0.00 H new ATOM 1296 N PRO A 92 14.450 -9.519 5.202 1.00 0.00 N ATOM 1297 CA PRO A 92 14.644 -9.373 6.648 1.00 0.00 C ATOM 1298 C PRO A 92 13.498 -9.980 7.450 1.00 0.00 C ATOM 1299 O PRO A 92 12.518 -10.465 6.884 1.00 0.00 O ATOM 1300 CB PRO A 92 14.693 -7.856 6.848 1.00 0.00 C ATOM 1301 CG PRO A 92 13.926 -7.298 5.700 1.00 0.00 C ATOM 1302 CD PRO A 92 14.170 -8.230 4.546 1.00 0.00 C ATOM 0 HA PRO A 92 15.538 -9.891 6.994 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.247 -7.568 7.800 1.00 0.00 H new ATOM 0 HB3 PRO A 92 15.720 -7.490 6.853 1.00 0.00 H new ATOM 0 HG2 PRO A 92 12.863 -7.237 5.934 1.00 0.00 H new ATOM 0 HG3 PRO A 92 14.259 -6.288 5.463 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.302 -8.293 3.890 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.009 -7.900 3.933 1.00 0.00 H new ATOM 1310 N THR A 93 13.627 -9.950 8.773 1.00 0.00 N ATOM 1311 CA THR A 93 12.603 -10.497 9.654 1.00 0.00 C ATOM 1312 C THR A 93 12.170 -9.473 10.697 1.00 0.00 C ATOM 1313 O THR A 93 10.988 -9.156 10.816 1.00 0.00 O ATOM 1314 CB THR A 93 13.099 -11.767 10.371 1.00 0.00 C ATOM 1315 OG1 THR A 93 13.439 -12.771 9.409 1.00 0.00 O ATOM 1316 CG2 THR A 93 12.036 -12.303 11.318 1.00 0.00 C ATOM 0 H THR A 93 14.431 -9.552 9.258 1.00 0.00 H new ATOM 0 HA THR A 93 11.750 -10.753 9.026 1.00 0.00 H new ATOM 0 HB THR A 93 13.984 -11.508 10.953 1.00 0.00 H new ATOM 0 HG1 THR A 93 13.755 -13.575 9.873 1.00 0.00 H new ATOM 0 HG21 THR A 93 12.409 -13.200 11.813 1.00 0.00 H new ATOM 0 HG22 THR A 93 11.801 -11.546 12.067 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.136 -12.547 10.754 1.00 0.00 H new ATOM 1324 N ASN A 94 13.137 -8.960 11.452 1.00 0.00 N ATOM 1325 CA ASN A 94 12.855 -7.971 12.486 1.00 0.00 C ATOM 1326 C ASN A 94 12.075 -6.792 11.913 1.00 0.00 C ATOM 1327 O ASN A 94 11.007 -6.439 12.412 1.00 0.00 O ATOM 1328 CB ASN A 94 14.158 -7.477 13.117 1.00 0.00 C ATOM 1329 CG ASN A 94 13.929 -6.366 14.123 1.00 0.00 C ATOM 1330 OD1 ASN A 94 12.822 -5.838 14.240 1.00 0.00 O ATOM 1331 ND2 ASN A 94 14.976 -6.004 14.854 1.00 0.00 N ATOM 0 H ASN A 94 14.122 -9.213 11.367 1.00 0.00 H new ATOM 0 HA ASN A 94 12.245 -8.448 13.254 1.00 0.00 H new ATOM 0 HB2 ASN A 94 14.659 -8.311 13.609 1.00 0.00 H new ATOM 0 HB3 ASN A 94 14.826 -7.121 12.333 1.00 0.00 H new ATOM 0 HD21 ASN A 94 14.882 -5.261 15.546 1.00 0.00 H new ATOM 0 HD22 ASN A 94 15.874 -6.469 14.723 1.00 0.00 H new ATOM 1338 N GLY A 95 12.617 -6.186 10.861 1.00 0.00 N ATOM 1339 CA GLY A 95 11.959 -5.053 10.237 1.00 0.00 C ATOM 1340 C GLY A 95 12.771 -4.465 9.100 1.00 0.00 C ATOM 1341 O GLY A 95 13.995 -4.369 9.188 1.00 0.00 O ATOM 0 H GLY A 95 13.500 -6.460 10.430 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.985 -5.365 9.860 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.779 -4.283 10.987 1.00 0.00 H new ATOM 1345 N TRP A 96 12.089 -4.073 8.030 1.00 0.00 N ATOM 1346 CA TRP A 96 12.755 -3.493 6.869 1.00 0.00 C ATOM 1347 C TRP A 96 12.406 -2.016 6.722 1.00 0.00 C ATOM 1348 O TRP A 96 11.390 -1.554 7.242 1.00 0.00 O ATOM 1349 CB TRP A 96 12.365 -4.251 5.600 1.00 0.00 C ATOM 1350 CG TRP A 96 13.090 -3.776 4.377 1.00 0.00 C ATOM 1351 CD1 TRP A 96 14.419 -3.929 4.101 1.00 0.00 C ATOM 1352 CD2 TRP A 96 12.527 -3.069 3.267 1.00 0.00 C ATOM 1353 NE1 TRP A 96 14.716 -3.360 2.886 1.00 0.00 N ATOM 1354 CE2 TRP A 96 13.572 -2.826 2.354 1.00 0.00 C ATOM 1355 CE3 TRP A 96 11.241 -2.619 2.955 1.00 0.00 C ATOM 1356 CZ2 TRP A 96 13.368 -2.152 1.153 1.00 0.00 C ATOM 1357 CZ3 TRP A 96 11.041 -1.951 1.762 1.00 0.00 C ATOM 1358 CH2 TRP A 96 12.100 -1.723 0.872 1.00 0.00 C ATOM 0 H TRP A 96 11.075 -4.146 7.942 1.00 0.00 H new ATOM 0 HA TRP A 96 13.831 -3.579 7.018 1.00 0.00 H new ATOM 0 HB2 TRP A 96 12.566 -5.313 5.743 1.00 0.00 H new ATOM 0 HB3 TRP A 96 11.292 -4.149 5.440 1.00 0.00 H new ATOM 0 HD1 TRP A 96 15.132 -4.425 4.743 1.00 0.00 H new ATOM 0 HE1 TRP A 96 15.638 -3.339 2.451 1.00 0.00 H new ATOM 0 HE3 TRP A 96 10.419 -2.790 3.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 14.183 -1.974 0.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 10.052 -1.598 1.511 1.00 0.00 H new ATOM 0 HH2 TRP A 96 11.911 -1.199 -0.053 1.00 0.00 H new ATOM 1369 N LYS A 97 13.253 -1.280 6.011 1.00 0.00 N ATOM 1370 CA LYS A 97 13.033 0.145 5.794 1.00 0.00 C ATOM 1371 C LYS A 97 13.706 0.609 4.506 1.00 0.00 C ATOM 1372 O LYS A 97 14.877 0.315 4.265 1.00 0.00 O ATOM 1373 CB LYS A 97 13.566 0.951 6.980 1.00 0.00 C ATOM 1374 CG LYS A 97 12.786 2.226 7.249 1.00 0.00 C ATOM 1375 CD LYS A 97 13.627 3.247 7.997 1.00 0.00 C ATOM 1376 CE LYS A 97 12.757 4.259 8.727 1.00 0.00 C ATOM 1377 NZ LYS A 97 13.568 5.197 9.550 1.00 0.00 N ATOM 0 H LYS A 97 14.099 -1.647 5.575 1.00 0.00 H new ATOM 0 HA LYS A 97 11.960 0.312 5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.543 0.326 7.873 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.610 1.206 6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.448 2.653 6.305 1.00 0.00 H new ATOM 0 HG3 LYS A 97 11.894 1.992 7.830 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.271 2.736 8.713 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.280 3.766 7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.172 4.825 8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.049 3.734 9.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.938 5.870 10.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.107 4.660 10.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.227 5.717 8.936 1.00 0.00 H new ATOM 1391 N CYS A 98 12.959 1.337 3.682 1.00 0.00 N ATOM 1392 CA CYS A 98 13.483 1.843 2.420 1.00 0.00 C ATOM 1393 C CYS A 98 14.533 2.924 2.661 1.00 0.00 C ATOM 1394 O CYS A 98 14.695 3.409 3.781 1.00 0.00 O ATOM 1395 CB CYS A 98 12.348 2.402 1.560 1.00 0.00 C ATOM 1396 SG CYS A 98 11.955 4.149 1.892 1.00 0.00 S ATOM 0 H CYS A 98 11.988 1.589 3.867 1.00 0.00 H new ATOM 0 HA CYS A 98 13.955 1.014 1.893 1.00 0.00 H new ATOM 0 HB2 CYS A 98 12.616 2.294 0.509 1.00 0.00 H new ATOM 0 HB3 CYS A 98 11.453 1.802 1.724 1.00 0.00 H new ATOM 1401 N LYS A 99 15.243 3.297 1.602 1.00 0.00 N ATOM 1402 CA LYS A 99 16.277 4.322 1.696 1.00 0.00 C ATOM 1403 C LYS A 99 15.657 5.708 1.841 1.00 0.00 C ATOM 1404 O LYS A 99 16.041 6.481 2.718 1.00 0.00 O ATOM 1405 CB LYS A 99 17.178 4.281 0.460 1.00 0.00 C ATOM 1406 CG LYS A 99 18.185 5.417 0.404 1.00 0.00 C ATOM 1407 CD LYS A 99 19.235 5.178 -0.668 1.00 0.00 C ATOM 1408 CE LYS A 99 20.539 5.888 -0.339 1.00 0.00 C ATOM 1409 NZ LYS A 99 21.644 5.466 -1.244 1.00 0.00 N ATOM 0 H LYS A 99 15.122 2.905 0.668 1.00 0.00 H new ATOM 0 HA LYS A 99 16.877 4.117 2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 99 17.713 3.331 0.442 1.00 0.00 H new ATOM 0 HB3 LYS A 99 16.556 4.314 -0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.666 6.355 0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 99 18.671 5.522 1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.417 4.108 -0.768 1.00 0.00 H new ATOM 0 HD3 LYS A 99 18.861 5.529 -1.630 1.00 0.00 H new ATOM 0 HE2 LYS A 99 20.396 6.966 -0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 99 20.816 5.679 0.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 22.515 5.972 -0.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 21.798 4.442 -1.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 21.391 5.689 -2.228 1.00 0.00 H new ATOM 1423 N ASN A 100 14.695 6.015 0.976 1.00 0.00 N ATOM 1424 CA ASN A 100 14.022 7.308 1.009 1.00 0.00 C ATOM 1425 C ASN A 100 13.574 7.652 2.427 1.00 0.00 C ATOM 1426 O ASN A 100 13.380 8.821 2.762 1.00 0.00 O ATOM 1427 CB ASN A 100 12.815 7.302 0.068 1.00 0.00 C ATOM 1428 CG ASN A 100 13.206 7.556 -1.375 1.00 0.00 C ATOM 1429 OD1 ASN A 100 13.762 8.605 -1.704 1.00 0.00 O ATOM 1430 ND2 ASN A 100 12.917 6.595 -2.244 1.00 0.00 N ATOM 0 H ASN A 100 14.365 5.386 0.244 1.00 0.00 H new ATOM 0 HA ASN A 100 14.730 8.067 0.676 1.00 0.00 H new ATOM 0 HB2 ASN A 100 12.306 6.341 0.140 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.104 8.064 0.388 1.00 0.00 H new ATOM 0 HD21 ASN A 100 13.156 6.709 -3.229 1.00 0.00 H new ATOM 0 HD22 ASN A 100 12.456 5.742 -1.927 1.00 0.00 H new ATOM 1437 N CYS A 101 13.412 6.626 3.255 1.00 0.00 N ATOM 1438 CA CYS A 101 12.987 6.818 4.637 1.00 0.00 C ATOM 1439 C CYS A 101 14.190 6.856 5.575 1.00 0.00 C ATOM 1440 O CYS A 101 14.291 7.730 6.436 1.00 0.00 O ATOM 1441 CB CYS A 101 12.032 5.700 5.059 1.00 0.00 C ATOM 1442 SG CYS A 101 10.298 5.982 4.576 1.00 0.00 S ATOM 0 H CYS A 101 13.569 5.653 2.993 1.00 0.00 H new ATOM 0 HA CYS A 101 12.467 7.774 4.702 1.00 0.00 H new ATOM 0 HB2 CYS A 101 12.372 4.762 4.621 1.00 0.00 H new ATOM 0 HB3 CYS A 101 12.082 5.583 6.142 1.00 0.00 H new ATOM 1447 N ARG A 102 15.099 5.902 5.402 1.00 0.00 N ATOM 1448 CA ARG A 102 16.294 5.825 6.234 1.00 0.00 C ATOM 1449 C ARG A 102 16.965 7.190 6.349 1.00 0.00 C ATOM 1450 O ARG A 102 17.602 7.497 7.357 1.00 0.00 O ATOM 1451 CB ARG A 102 17.279 4.808 5.655 1.00 0.00 C ATOM 1452 CG ARG A 102 18.244 5.403 4.642 1.00 0.00 C ATOM 1453 CD ARG A 102 19.462 4.514 4.444 1.00 0.00 C ATOM 1454 NE ARG A 102 20.557 4.879 5.338 1.00 0.00 N ATOM 1455 CZ ARG A 102 21.239 6.015 5.240 1.00 0.00 C ATOM 1456 NH1 ARG A 102 20.939 6.892 4.292 1.00 0.00 N ATOM 1457 NH2 ARG A 102 22.222 6.276 6.091 1.00 0.00 N ATOM 0 H ARG A 102 15.031 5.172 4.693 1.00 0.00 H new ATOM 0 HA ARG A 102 15.993 5.502 7.231 1.00 0.00 H new ATOM 0 HB2 ARG A 102 17.850 4.363 6.470 1.00 0.00 H new ATOM 0 HB3 ARG A 102 16.719 4.002 5.181 1.00 0.00 H new ATOM 0 HG2 ARG A 102 17.734 5.540 3.689 1.00 0.00 H new ATOM 0 HG3 ARG A 102 18.563 6.390 4.978 1.00 0.00 H new ATOM 0 HD2 ARG A 102 19.184 3.474 4.617 1.00 0.00 H new ATOM 0 HD3 ARG A 102 19.799 4.586 3.410 1.00 0.00 H new ATOM 0 HE ARG A 102 20.813 4.226 6.079 1.00 0.00 H new ATOM 0 HH11 ARG A 102 20.183 6.695 3.636 1.00 0.00 H new ATOM 0 HH12 ARG A 102 21.464 7.763 4.219 1.00 0.00 H new ATOM 0 HH21 ARG A 102 22.455 5.604 6.822 1.00 0.00 H new ATOM 0 HH22 ARG A 102 22.745 7.149 6.014 1.00 0.00 H new ATOM 1471 N ILE A 103 16.817 8.006 5.310 1.00 0.00 N ATOM 1472 CA ILE A 103 17.408 9.338 5.296 1.00 0.00 C ATOM 1473 C ILE A 103 17.383 9.966 6.685 1.00 0.00 C ATOM 1474 O ILE A 103 16.379 9.890 7.394 1.00 0.00 O ATOM 1475 CB ILE A 103 16.675 10.269 4.312 1.00 0.00 C ATOM 1476 CG1 ILE A 103 16.774 9.720 2.887 1.00 0.00 C ATOM 1477 CG2 ILE A 103 17.249 11.676 4.385 1.00 0.00 C ATOM 1478 CD1 ILE A 103 18.196 9.483 2.429 1.00 0.00 C ATOM 0 H ILE A 103 16.293 7.768 4.468 1.00 0.00 H new ATOM 0 HA ILE A 103 18.442 9.220 4.971 1.00 0.00 H new ATOM 0 HB ILE A 103 15.623 10.313 4.592 1.00 0.00 H new ATOM 0 HG12 ILE A 103 16.221 8.783 2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 103 16.292 10.418 2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 103 16.720 12.322 3.684 1.00 0.00 H new ATOM 0 HG22 ILE A 103 17.131 12.065 5.396 1.00 0.00 H new ATOM 0 HG23 ILE A 103 18.308 11.651 4.127 1.00 0.00 H new ATOM 0 HD11 ILE A 103 18.190 9.094 1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 103 18.748 10.422 2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 103 18.676 8.761 3.090 1.00 0.00 H new ATOM 1490 N CYS A 104 18.494 10.586 7.068 1.00 0.00 N ATOM 1491 CA CYS A 104 18.600 11.228 8.373 1.00 0.00 C ATOM 1492 C CYS A 104 18.397 10.216 9.496 1.00 0.00 C ATOM 1493 O CYS A 104 17.669 10.476 10.454 1.00 0.00 O ATOM 1494 CB CYS A 104 17.574 12.356 8.495 1.00 0.00 C ATOM 1495 SG CYS A 104 17.969 13.823 7.514 1.00 0.00 S ATOM 0 H CYS A 104 19.334 10.658 6.493 1.00 0.00 H new ATOM 0 HA CYS A 104 19.602 11.647 8.463 1.00 0.00 H new ATOM 0 HB2 CYS A 104 16.598 11.979 8.189 1.00 0.00 H new ATOM 0 HB3 CYS A 104 17.490 12.645 9.543 1.00 0.00 H new ATOM 0 HG CYS A 104 17.042 14.719 7.681 1.00 0.00 H new ATOM 1501 N ILE A 105 19.043 9.062 9.369 1.00 0.00 N ATOM 1502 CA ILE A 105 18.932 8.011 10.372 1.00 0.00 C ATOM 1503 C ILE A 105 18.983 8.589 11.782 1.00 0.00 C ATOM 1504 O ILE A 105 18.218 8.185 12.658 1.00 0.00 O ATOM 1505 CB ILE A 105 20.051 6.964 10.217 1.00 0.00 C ATOM 1506 CG1 ILE A 105 19.900 5.864 11.270 1.00 0.00 C ATOM 1507 CG2 ILE A 105 21.416 7.628 10.329 1.00 0.00 C ATOM 1508 CD1 ILE A 105 18.691 4.982 11.053 1.00 0.00 C ATOM 0 H ILE A 105 19.649 8.831 8.581 1.00 0.00 H new ATOM 0 HA ILE A 105 17.968 7.526 10.216 1.00 0.00 H new ATOM 0 HB ILE A 105 19.969 6.509 9.230 1.00 0.00 H new ATOM 0 HG12 ILE A 105 20.797 5.244 11.268 1.00 0.00 H new ATOM 0 HG13 ILE A 105 19.832 6.323 12.256 1.00 0.00 H new ATOM 0 HG21 ILE A 105 22.197 6.876 10.217 1.00 0.00 H new ATOM 0 HG22 ILE A 105 21.521 8.379 9.546 1.00 0.00 H new ATOM 0 HG23 ILE A 105 21.509 8.106 11.304 1.00 0.00 H new ATOM 0 HD11 ILE A 105 18.647 4.225 11.836 1.00 0.00 H new ATOM 0 HD12 ILE A 105 17.787 5.590 11.085 1.00 0.00 H new ATOM 0 HD13 ILE A 105 18.766 4.494 10.081 1.00 0.00 H new ATOM 1520 N SER A 106 19.889 9.538 11.994 1.00 0.00 N ATOM 1521 CA SER A 106 20.042 10.172 13.298 1.00 0.00 C ATOM 1522 C SER A 106 20.489 11.623 13.149 1.00 0.00 C ATOM 1523 O SER A 106 21.586 11.899 12.666 1.00 0.00 O ATOM 1524 CB SER A 106 21.053 9.400 14.148 1.00 0.00 C ATOM 1525 OG SER A 106 20.805 9.585 15.531 1.00 0.00 O ATOM 0 H SER A 106 20.528 9.885 11.279 1.00 0.00 H new ATOM 0 HA SER A 106 19.073 10.159 13.796 1.00 0.00 H new ATOM 0 HB2 SER A 106 21.001 8.339 13.905 1.00 0.00 H new ATOM 0 HB3 SER A 106 22.063 9.733 13.909 1.00 0.00 H new ATOM 0 HG SER A 106 21.464 9.080 16.052 1.00 0.00 H new ATOM 1531 N GLY A 107 19.629 12.546 13.567 1.00 0.00 N ATOM 1532 CA GLY A 107 19.952 13.958 13.472 1.00 0.00 C ATOM 1533 C GLY A 107 19.994 14.447 12.038 1.00 0.00 C ATOM 1534 O GLY A 107 20.170 13.671 11.099 1.00 0.00 O ATOM 0 H GLY A 107 18.714 12.342 13.970 1.00 0.00 H new ATOM 0 HA2 GLY A 107 19.213 14.535 14.028 1.00 0.00 H new ATOM 0 HA3 GLY A 107 20.918 14.139 13.943 1.00 0.00 H new ATOM 1538 N PRO A 108 19.827 15.766 11.853 1.00 0.00 N ATOM 1539 CA PRO A 108 19.841 16.387 10.526 1.00 0.00 C ATOM 1540 C PRO A 108 21.229 16.375 9.895 1.00 0.00 C ATOM 1541 O PRO A 108 22.241 16.414 10.596 1.00 0.00 O ATOM 1542 CB PRO A 108 19.392 17.824 10.802 1.00 0.00 C ATOM 1543 CG PRO A 108 19.765 18.071 12.223 1.00 0.00 C ATOM 1544 CD PRO A 108 19.613 16.751 12.927 1.00 0.00 C ATOM 0 HA PRO A 108 19.203 15.855 9.820 1.00 0.00 H new ATOM 0 HB2 PRO A 108 19.888 18.529 10.134 1.00 0.00 H new ATOM 0 HB3 PRO A 108 18.319 17.940 10.648 1.00 0.00 H new ATOM 0 HG2 PRO A 108 20.788 18.438 12.300 1.00 0.00 H new ATOM 0 HG3 PRO A 108 19.120 18.828 12.670 1.00 0.00 H new ATOM 0 HD2 PRO A 108 20.343 16.637 13.729 1.00 0.00 H new ATOM 0 HD3 PRO A 108 18.626 16.647 13.377 1.00 0.00 H new ATOM 1552 N SER A 109 21.270 16.321 8.567 1.00 0.00 N ATOM 1553 CA SER A 109 22.535 16.301 7.842 1.00 0.00 C ATOM 1554 C SER A 109 22.726 17.589 7.047 1.00 0.00 C ATOM 1555 O SER A 109 21.766 18.303 6.761 1.00 0.00 O ATOM 1556 CB SER A 109 22.589 15.095 6.902 1.00 0.00 C ATOM 1557 OG SER A 109 22.522 13.879 7.627 1.00 0.00 O ATOM 0 H SER A 109 20.442 16.290 7.972 1.00 0.00 H new ATOM 0 HA SER A 109 23.342 16.221 8.570 1.00 0.00 H new ATOM 0 HB2 SER A 109 21.762 15.145 6.193 1.00 0.00 H new ATOM 0 HB3 SER A 109 23.510 15.125 6.320 1.00 0.00 H new ATOM 0 HG SER A 109 22.557 13.124 7.003 1.00 0.00 H new ATOM 1563 N SER A 110 23.974 17.878 6.693 1.00 0.00 N ATOM 1564 CA SER A 110 24.294 19.082 5.934 1.00 0.00 C ATOM 1565 C SER A 110 24.901 18.726 4.581 1.00 0.00 C ATOM 1566 O SER A 110 26.108 18.514 4.465 1.00 0.00 O ATOM 1567 CB SER A 110 25.262 19.966 6.723 1.00 0.00 C ATOM 1568 OG SER A 110 25.823 20.972 5.897 1.00 0.00 O ATOM 0 H SER A 110 24.780 17.295 6.919 1.00 0.00 H new ATOM 0 HA SER A 110 23.368 19.631 5.764 1.00 0.00 H new ATOM 0 HB2 SER A 110 24.738 20.428 7.559 1.00 0.00 H new ATOM 0 HB3 SER A 110 26.058 19.352 7.145 1.00 0.00 H new ATOM 0 HG SER A 110 26.437 21.524 6.425 1.00 0.00 H new ATOM 1574 N GLY A 111 24.054 18.660 3.558 1.00 0.00 N ATOM 1575 CA GLY A 111 24.525 18.329 2.225 1.00 0.00 C ATOM 1576 C GLY A 111 23.498 17.552 1.425 1.00 0.00 C ATOM 1577 O GLY A 111 23.837 16.507 0.872 1.00 0.00 O ATOM 0 H GLY A 111 23.051 18.830 3.628 1.00 0.00 H new ATOM 0 HA2 GLY A 111 24.777 19.247 1.693 1.00 0.00 H new ATOM 0 HA3 GLY A 111 25.441 17.743 2.301 1.00 0.00 H new TER 1581 GLY A 111 HETATM 1582 ZN ZN A 301 -11.476 -2.251 8.173 1.00 0.00 ZN HETATM 1583 ZN ZN A 501 -5.229 1.737 -4.631 1.00 0.00 ZN HETATM 1584 ZN ZN A 701 11.155 -4.077 -9.314 1.00 0.00 ZN HETATM 1585 ZN ZN A 901 10.081 4.133 3.151 1.00 0.00 ZN