USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=25 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 30 GLN : amide:sc= -1.21 K(o=-1.2,f=-1.8!) USER MOD Set 1.2: A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 34:sc= 1.08 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.692 K(o=-0.69,f=-5.1!) USER MOD Single : A 15 SER OG : rot 180:sc= -1 USER MOD Single : A 22 GLN : amide:sc= -5.19! C(o=-5.2!,f=-5.7!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -3.37! C(o=-3.4!,f=-3.5!) USER MOD Single : A 35 MET CE :methyl 155:sc= -0.0711 (180deg=-0.419) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.629 USER MOD Single : A 45 LYS NZ :NH3+ 153:sc= -1.16 (180deg=-2.76!) USER MOD Single : A 50 GLN : amide:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 168:sc= -1.23 (180deg=-1.85) USER MOD Single : A 58 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.19) USER MOD Single : A 59 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.013) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 63 SER OG : rot 12:sc= 0.136! USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 167:sc= -0.75 (180deg=-0.914) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 30:sc= -0.59 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0525 USER MOD Single : A 85 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.043) USER MOD Single : A 88 MET CE :methyl -132:sc= -2.28 (180deg=-5.86!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0 X(o=0,f=0) 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 100 ASN : amide:sc= -0.0859 K(o=-0.086,f=-0.62) USER MOD Single : A 104 CYS SG : rot 180:sc= 0 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 -34.885 -4.844 -2.311 1.00 0.00 N ATOM 2 CA GLY A 1 -35.288 -3.804 -1.382 1.00 0.00 C ATOM 3 C GLY A 1 -34.588 -2.486 -1.649 1.00 0.00 C ATOM 4 O GLY A 1 -34.720 -1.913 -2.730 1.00 0.00 O ATOM 0 H1 GLY A 1 -35.391 -5.725 -2.087 1.00 0.00 H new ATOM 0 H2 GLY A 1 -35.114 -4.550 -3.282 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.860 -5.003 -2.231 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -36.366 -3.659 -1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.072 -4.127 -0.364 1.00 0.00 H new ATOM 8 N SER A 2 -33.844 -2.002 -0.660 1.00 0.00 N ATOM 9 CA SER A 2 -33.125 -0.740 -0.791 1.00 0.00 C ATOM 10 C SER A 2 -32.089 -0.817 -1.908 1.00 0.00 C ATOM 11 O SER A 2 -31.003 -1.367 -1.726 1.00 0.00 O ATOM 12 CB SER A 2 -32.441 -0.378 0.530 1.00 0.00 C ATOM 13 OG SER A 2 -31.535 0.697 0.357 1.00 0.00 O ATOM 0 H SER A 2 -33.723 -2.465 0.241 1.00 0.00 H new ATOM 0 HA SER A 2 -33.848 0.036 -1.043 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.194 -0.108 1.271 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.909 -1.247 0.918 1.00 0.00 H new ATOM 0 HG SER A 2 -31.112 0.910 1.215 1.00 0.00 H new ATOM 19 N SER A 3 -32.434 -0.263 -3.066 1.00 0.00 N ATOM 20 CA SER A 3 -31.537 -0.272 -4.215 1.00 0.00 C ATOM 21 C SER A 3 -30.347 0.653 -3.983 1.00 0.00 C ATOM 22 O SER A 3 -30.471 1.875 -4.059 1.00 0.00 O ATOM 23 CB SER A 3 -32.288 0.153 -5.479 1.00 0.00 C ATOM 24 OG SER A 3 -32.735 1.494 -5.380 1.00 0.00 O ATOM 0 H SER A 3 -33.329 0.198 -3.233 1.00 0.00 H new ATOM 0 HA SER A 3 -31.165 -1.288 -4.346 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.636 0.047 -6.346 1.00 0.00 H new ATOM 0 HB3 SER A 3 -33.141 -0.507 -5.638 1.00 0.00 H new ATOM 0 HG SER A 3 -32.082 2.020 -4.873 1.00 0.00 H new ATOM 30 N GLY A 4 -29.191 0.061 -3.697 1.00 0.00 N ATOM 31 CA GLY A 4 -27.994 0.845 -3.457 1.00 0.00 C ATOM 32 C GLY A 4 -27.801 1.175 -1.990 1.00 0.00 C ATOM 33 O GLY A 4 -28.036 2.307 -1.566 1.00 0.00 O ATOM 0 H GLY A 4 -29.063 -0.948 -3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.125 0.296 -3.820 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.049 1.770 -4.030 1.00 0.00 H new ATOM 37 N SER A 5 -27.375 0.185 -1.214 1.00 0.00 N ATOM 38 CA SER A 5 -27.156 0.374 0.216 1.00 0.00 C ATOM 39 C SER A 5 -25.666 0.358 0.544 1.00 0.00 C ATOM 40 O SER A 5 -25.137 1.307 1.123 1.00 0.00 O ATOM 41 CB SER A 5 -27.877 -0.716 1.012 1.00 0.00 C ATOM 42 OG SER A 5 -27.520 -0.667 2.382 1.00 0.00 O ATOM 0 H SER A 5 -27.174 -0.757 -1.551 1.00 0.00 H new ATOM 0 HA SER A 5 -27.561 1.346 0.496 1.00 0.00 H new ATOM 0 HB2 SER A 5 -28.955 -0.593 0.909 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.628 -1.695 0.603 1.00 0.00 H new ATOM 0 HG SER A 5 -27.995 -1.372 2.869 1.00 0.00 H new ATOM 48 N SER A 6 -24.996 -0.727 0.170 1.00 0.00 N ATOM 49 CA SER A 6 -23.568 -0.869 0.427 1.00 0.00 C ATOM 50 C SER A 6 -22.758 0.060 -0.472 1.00 0.00 C ATOM 51 O SER A 6 -22.899 0.038 -1.694 1.00 0.00 O ATOM 52 CB SER A 6 -23.130 -2.318 0.208 1.00 0.00 C ATOM 53 OG SER A 6 -23.932 -3.213 0.960 1.00 0.00 O ATOM 0 H SER A 6 -25.419 -1.520 -0.312 1.00 0.00 H new ATOM 0 HA SER A 6 -23.383 -0.594 1.465 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.199 -2.566 -0.851 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.085 -2.433 0.495 1.00 0.00 H new ATOM 0 HG SER A 6 -23.633 -4.133 0.801 1.00 0.00 H new ATOM 59 N GLY A 7 -21.909 0.878 0.143 1.00 0.00 N ATOM 60 CA GLY A 7 -21.089 1.804 -0.616 1.00 0.00 C ATOM 61 C GLY A 7 -19.624 1.729 -0.233 1.00 0.00 C ATOM 62 O GLY A 7 -19.070 0.641 -0.081 1.00 0.00 O ATOM 0 H GLY A 7 -21.775 0.916 1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.195 1.590 -1.680 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.451 2.820 -0.457 1.00 0.00 H new ATOM 66 N ALA A 8 -18.995 2.889 -0.078 1.00 0.00 N ATOM 67 CA ALA A 8 -17.585 2.951 0.289 1.00 0.00 C ATOM 68 C ALA A 8 -17.370 2.475 1.722 1.00 0.00 C ATOM 69 O ALA A 8 -17.625 3.210 2.675 1.00 0.00 O ATOM 70 CB ALA A 8 -17.056 4.367 0.116 1.00 0.00 C ATOM 0 H ALA A 8 -19.439 3.799 -0.201 1.00 0.00 H new ATOM 0 HA ALA A 8 -17.033 2.285 -0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -16.002 4.398 0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -17.166 4.672 -0.925 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -17.620 5.047 0.755 1.00 0.00 H new ATOM 76 N ASN A 9 -16.901 1.240 1.867 1.00 0.00 N ATOM 77 CA ASN A 9 -16.653 0.666 3.184 1.00 0.00 C ATOM 78 C ASN A 9 -15.344 -0.117 3.198 1.00 0.00 C ATOM 79 O ASN A 9 -14.814 -0.482 2.148 1.00 0.00 O ATOM 80 CB ASN A 9 -17.811 -0.247 3.592 1.00 0.00 C ATOM 81 CG ASN A 9 -18.953 0.519 4.232 1.00 0.00 C ATOM 82 OD1 ASN A 9 -18.743 1.553 4.866 1.00 0.00 O ATOM 83 ND2 ASN A 9 -20.169 0.012 4.069 1.00 0.00 N ATOM 0 H ASN A 9 -16.685 0.618 1.088 1.00 0.00 H new ATOM 0 HA ASN A 9 -16.574 1.484 3.900 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -18.180 -0.777 2.713 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -17.447 -1.001 4.290 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -20.977 0.482 4.477 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -20.296 -0.848 3.535 1.00 0.00 H new ATOM 90 N CYS A 10 -14.827 -0.374 4.395 1.00 0.00 N ATOM 91 CA CYS A 10 -13.581 -1.115 4.548 1.00 0.00 C ATOM 92 C CYS A 10 -13.622 -2.418 3.756 1.00 0.00 C ATOM 93 O CYS A 10 -14.492 -3.261 3.973 1.00 0.00 O ATOM 94 CB CYS A 10 -13.317 -1.411 6.026 1.00 0.00 C ATOM 95 SG CYS A 10 -11.662 -2.093 6.364 1.00 0.00 S ATOM 0 H CYS A 10 -15.252 -0.079 5.274 1.00 0.00 H new ATOM 0 HA CYS A 10 -12.771 -0.499 4.158 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -13.443 -0.492 6.598 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.068 -2.115 6.384 1.00 0.00 H new ATOM 100 N ALA A 11 -12.674 -2.576 2.838 1.00 0.00 N ATOM 101 CA ALA A 11 -12.600 -3.777 2.015 1.00 0.00 C ATOM 102 C ALA A 11 -12.167 -4.983 2.842 1.00 0.00 C ATOM 103 O ALA A 11 -12.032 -6.090 2.320 1.00 0.00 O ATOM 104 CB ALA A 11 -11.644 -3.561 0.851 1.00 0.00 C ATOM 0 H ALA A 11 -11.947 -1.887 2.646 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.596 -3.979 1.620 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.598 -4.466 0.245 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.998 -2.731 0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.650 -3.331 1.234 1.00 0.00 H new ATOM 110 N VAL A 12 -11.949 -4.761 4.134 1.00 0.00 N ATOM 111 CA VAL A 12 -11.531 -5.830 5.033 1.00 0.00 C ATOM 112 C VAL A 12 -12.645 -6.196 6.008 1.00 0.00 C ATOM 113 O VAL A 12 -12.872 -7.371 6.296 1.00 0.00 O ATOM 114 CB VAL A 12 -10.275 -5.433 5.832 1.00 0.00 C ATOM 115 CG1 VAL A 12 -9.752 -6.618 6.629 1.00 0.00 C ATOM 116 CG2 VAL A 12 -9.201 -4.892 4.900 1.00 0.00 C ATOM 0 H VAL A 12 -12.055 -3.851 4.582 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.299 -6.694 4.410 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.546 -4.645 6.534 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.865 -6.318 7.187 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.520 -6.957 7.324 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.496 -7.430 5.948 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.321 -4.616 5.481 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.931 -5.658 4.173 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.581 -4.014 4.378 1.00 0.00 H new ATOM 126 N CYS A 13 -13.338 -5.180 6.513 1.00 0.00 N ATOM 127 CA CYS A 13 -14.429 -5.393 7.456 1.00 0.00 C ATOM 128 C CYS A 13 -15.733 -4.810 6.919 1.00 0.00 C ATOM 129 O CYS A 13 -16.666 -4.547 7.678 1.00 0.00 O ATOM 130 CB CYS A 13 -14.093 -4.761 8.808 1.00 0.00 C ATOM 131 SG CYS A 13 -14.220 -2.944 8.831 1.00 0.00 S ATOM 0 H CYS A 13 -13.163 -4.201 6.285 1.00 0.00 H new ATOM 0 HA CYS A 13 -14.559 -6.467 7.587 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -14.762 -5.171 9.565 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -13.080 -5.047 9.089 1.00 0.00 H new ATOM 136 N ASP A 14 -15.789 -4.611 5.607 1.00 0.00 N ATOM 137 CA ASP A 14 -16.979 -4.060 4.968 1.00 0.00 C ATOM 138 C ASP A 14 -17.684 -3.072 5.892 1.00 0.00 C ATOM 139 O ASP A 14 -18.911 -3.059 5.983 1.00 0.00 O ATOM 140 CB ASP A 14 -17.939 -5.184 4.575 1.00 0.00 C ATOM 141 CG ASP A 14 -18.184 -6.159 5.709 1.00 0.00 C ATOM 142 OD1 ASP A 14 -18.885 -5.785 6.672 1.00 0.00 O ATOM 143 OD2 ASP A 14 -17.673 -7.297 5.635 1.00 0.00 O ATOM 0 H ASP A 14 -15.025 -4.823 4.965 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.666 -3.529 4.069 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -18.889 -4.753 4.259 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -17.533 -5.722 3.719 1.00 0.00 H new ATOM 148 N SER A 15 -16.899 -2.245 6.575 1.00 0.00 N ATOM 149 CA SER A 15 -17.447 -1.256 7.496 1.00 0.00 C ATOM 150 C SER A 15 -16.790 0.105 7.286 1.00 0.00 C ATOM 151 O SER A 15 -15.599 0.209 6.992 1.00 0.00 O ATOM 152 CB SER A 15 -17.251 -1.712 8.943 1.00 0.00 C ATOM 153 OG SER A 15 -18.287 -1.221 9.777 1.00 0.00 O ATOM 0 H SER A 15 -15.881 -2.240 6.508 1.00 0.00 H new ATOM 0 HA SER A 15 -18.514 -1.160 7.294 1.00 0.00 H new ATOM 0 HB2 SER A 15 -17.231 -2.801 8.985 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.287 -1.361 9.311 1.00 0.00 H new ATOM 0 HG SER A 15 -18.140 -1.528 10.696 1.00 0.00 H new ATOM 159 N PRO A 16 -17.585 1.174 7.439 1.00 0.00 N ATOM 160 CA PRO A 16 -17.104 2.549 7.272 1.00 0.00 C ATOM 161 C PRO A 16 -16.155 2.971 8.388 1.00 0.00 C ATOM 162 O PRO A 16 -15.115 3.578 8.136 1.00 0.00 O ATOM 163 CB PRO A 16 -18.387 3.382 7.317 1.00 0.00 C ATOM 164 CG PRO A 16 -19.347 2.557 8.103 1.00 0.00 C ATOM 165 CD PRO A 16 -19.015 1.124 7.789 1.00 0.00 C ATOM 0 HA PRO A 16 -16.532 2.672 6.352 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.215 4.348 7.791 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -18.765 3.581 6.314 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -19.249 2.755 9.170 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -20.376 2.788 7.829 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -19.197 0.473 8.644 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -19.618 0.743 6.964 1.00 0.00 H new ATOM 173 N GLY A 17 -16.520 2.645 9.625 1.00 0.00 N ATOM 174 CA GLY A 17 -15.690 2.998 10.761 1.00 0.00 C ATOM 175 C GLY A 17 -15.063 4.370 10.617 1.00 0.00 C ATOM 176 O GLY A 17 -15.693 5.298 10.108 1.00 0.00 O ATOM 0 H GLY A 17 -17.376 2.143 9.860 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -16.292 2.971 11.669 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -14.903 2.253 10.878 1.00 0.00 H new ATOM 180 N ASP A 18 -13.820 4.501 11.067 1.00 0.00 N ATOM 181 CA ASP A 18 -13.107 5.771 10.986 1.00 0.00 C ATOM 182 C ASP A 18 -12.687 6.068 9.550 1.00 0.00 C ATOM 183 O ASP A 18 -12.100 5.220 8.876 1.00 0.00 O ATOM 184 CB ASP A 18 -11.879 5.750 11.896 1.00 0.00 C ATOM 185 CG ASP A 18 -12.244 5.574 13.357 1.00 0.00 C ATOM 186 OD1 ASP A 18 -13.064 6.368 13.863 1.00 0.00 O ATOM 187 OD2 ASP A 18 -11.708 4.643 13.995 1.00 0.00 O ATOM 0 H ASP A 18 -13.285 3.743 11.492 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.782 6.560 11.318 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.217 4.940 11.590 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.323 6.679 11.773 1.00 0.00 H new ATOM 192 N LEU A 19 -12.991 7.275 9.087 1.00 0.00 N ATOM 193 CA LEU A 19 -12.645 7.684 7.730 1.00 0.00 C ATOM 194 C LEU A 19 -11.275 8.353 7.695 1.00 0.00 C ATOM 195 O LEU A 19 -10.581 8.318 6.678 1.00 0.00 O ATOM 196 CB LEU A 19 -13.706 8.639 7.178 1.00 0.00 C ATOM 197 CG LEU A 19 -14.908 7.984 6.496 1.00 0.00 C ATOM 198 CD1 LEU A 19 -14.468 7.221 5.256 1.00 0.00 C ATOM 199 CD2 LEU A 19 -15.633 7.060 7.464 1.00 0.00 C ATOM 0 H LEU A 19 -13.477 7.988 9.631 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.608 6.791 7.106 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -14.071 9.258 7.998 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.227 9.308 6.463 1.00 0.00 H new ATOM 0 HG LEU A 19 -15.599 8.769 6.188 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -15.337 6.762 4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -13.995 7.908 4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.757 6.445 5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.485 6.603 6.961 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.951 6.280 7.803 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -15.983 7.634 8.322 1.00 0.00 H new ATOM 211 N LEU A 20 -10.890 8.960 8.813 1.00 0.00 N ATOM 212 CA LEU A 20 -9.601 9.636 8.911 1.00 0.00 C ATOM 213 C LEU A 20 -8.499 8.652 9.291 1.00 0.00 C ATOM 214 O LEU A 20 -7.495 8.528 8.589 1.00 0.00 O ATOM 215 CB LEU A 20 -9.672 10.763 9.943 1.00 0.00 C ATOM 216 CG LEU A 20 -10.463 12.004 9.528 1.00 0.00 C ATOM 217 CD1 LEU A 20 -10.888 12.800 10.752 1.00 0.00 C ATOM 218 CD2 LEU A 20 -9.641 12.870 8.585 1.00 0.00 C ATOM 0 H LEU A 20 -11.452 8.998 9.663 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.364 10.060 7.935 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.113 10.365 10.857 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.655 11.070 10.187 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.361 11.680 9.001 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.450 13.679 10.437 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.515 12.178 11.391 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.004 13.114 11.307 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.220 13.749 8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.725 13.185 9.086 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.388 12.297 7.693 1.00 0.00 H new ATOM 230 N ASP A 21 -8.693 7.954 10.404 1.00 0.00 N ATOM 231 CA ASP A 21 -7.717 6.979 10.876 1.00 0.00 C ATOM 232 C ASP A 21 -7.307 6.033 9.751 1.00 0.00 C ATOM 233 O ASP A 21 -6.130 5.709 9.598 1.00 0.00 O ATOM 234 CB ASP A 21 -8.288 6.180 12.048 1.00 0.00 C ATOM 235 CG ASP A 21 -8.310 6.978 13.337 1.00 0.00 C ATOM 236 OD1 ASP A 21 -8.314 8.225 13.262 1.00 0.00 O ATOM 237 OD2 ASP A 21 -8.322 6.357 14.420 1.00 0.00 O ATOM 0 H ASP A 21 -9.518 8.045 10.997 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.833 7.520 11.212 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.301 5.859 11.806 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.694 5.278 12.193 1.00 0.00 H new ATOM 242 N GLN A 22 -8.287 5.594 8.968 1.00 0.00 N ATOM 243 CA GLN A 22 -8.028 4.683 7.859 1.00 0.00 C ATOM 244 C GLN A 22 -7.276 5.392 6.737 1.00 0.00 C ATOM 245 O GLN A 22 -7.100 6.611 6.767 1.00 0.00 O ATOM 246 CB GLN A 22 -9.341 4.109 7.324 1.00 0.00 C ATOM 247 CG GLN A 22 -10.311 5.169 6.827 1.00 0.00 C ATOM 248 CD GLN A 22 -9.920 5.727 5.472 1.00 0.00 C ATOM 249 OE1 GLN A 22 -9.188 6.713 5.382 1.00 0.00 O ATOM 250 NE2 GLN A 22 -10.407 5.098 4.409 1.00 0.00 N ATOM 0 H GLN A 22 -9.267 5.854 9.081 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.408 3.867 8.230 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.121 3.419 6.509 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.822 3.529 8.112 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.311 4.740 6.765 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.357 5.982 7.551 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.010 4.284 4.530 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.178 5.428 3.472 1.00 0.00 H new ATOM 259 N PHE A 23 -6.833 4.622 5.749 1.00 0.00 N ATOM 260 CA PHE A 23 -6.098 5.176 4.618 1.00 0.00 C ATOM 261 C PHE A 23 -6.939 5.125 3.346 1.00 0.00 C ATOM 262 O PHE A 23 -7.787 4.248 3.183 1.00 0.00 O ATOM 263 CB PHE A 23 -4.789 4.411 4.409 1.00 0.00 C ATOM 264 CG PHE A 23 -3.883 4.435 5.606 1.00 0.00 C ATOM 265 CD1 PHE A 23 -4.146 3.637 6.707 1.00 0.00 C ATOM 266 CD2 PHE A 23 -2.767 5.256 5.630 1.00 0.00 C ATOM 267 CE1 PHE A 23 -3.314 3.658 7.811 1.00 0.00 C ATOM 268 CE2 PHE A 23 -1.931 5.281 6.731 1.00 0.00 C ATOM 269 CZ PHE A 23 -2.204 4.480 7.822 1.00 0.00 C ATOM 0 H PHE A 23 -6.970 3.612 5.709 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.870 6.218 4.840 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.019 3.375 4.158 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.261 4.836 3.555 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.011 2.991 6.703 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.548 5.884 4.779 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.532 3.032 8.664 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.065 5.927 6.738 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.551 4.496 8.682 1.00 0.00 H new ATOM 279 N PHE A 24 -6.698 6.073 2.446 1.00 0.00 N ATOM 280 CA PHE A 24 -7.433 6.139 1.189 1.00 0.00 C ATOM 281 C PHE A 24 -6.481 6.079 -0.002 1.00 0.00 C ATOM 282 O PHE A 24 -5.683 6.991 -0.220 1.00 0.00 O ATOM 283 CB PHE A 24 -8.265 7.421 1.126 1.00 0.00 C ATOM 284 CG PHE A 24 -8.792 7.728 -0.246 1.00 0.00 C ATOM 285 CD1 PHE A 24 -8.006 8.398 -1.170 1.00 0.00 C ATOM 286 CD2 PHE A 24 -10.072 7.346 -0.613 1.00 0.00 C ATOM 287 CE1 PHE A 24 -8.488 8.682 -2.434 1.00 0.00 C ATOM 288 CE2 PHE A 24 -10.560 7.627 -1.876 1.00 0.00 C ATOM 289 CZ PHE A 24 -9.766 8.295 -2.787 1.00 0.00 C ATOM 0 H PHE A 24 -5.999 6.806 2.564 1.00 0.00 H new ATOM 0 HA PHE A 24 -8.100 5.278 1.143 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.103 7.335 1.817 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.655 8.257 1.468 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -7.006 8.702 -0.899 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -10.696 6.822 0.096 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.866 9.206 -3.145 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -11.560 7.325 -2.149 1.00 0.00 H new ATOM 0 HZ PHE A 24 -10.144 8.515 -3.775 1.00 0.00 H new ATOM 299 N CYS A 25 -6.570 4.997 -0.769 1.00 0.00 N ATOM 300 CA CYS A 25 -5.717 4.815 -1.937 1.00 0.00 C ATOM 301 C CYS A 25 -6.007 5.878 -2.993 1.00 0.00 C ATOM 302 O CYS A 25 -7.107 6.428 -3.051 1.00 0.00 O ATOM 303 CB CYS A 25 -5.921 3.420 -2.531 1.00 0.00 C ATOM 304 SG CYS A 25 -4.783 3.020 -3.896 1.00 0.00 S ATOM 0 H CYS A 25 -7.225 4.233 -0.602 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.680 4.918 -1.619 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.799 2.679 -1.741 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.947 3.336 -2.891 1.00 0.00 H new ATOM 309 N THR A 26 -5.012 6.161 -3.828 1.00 0.00 N ATOM 310 CA THR A 26 -5.159 7.158 -4.882 1.00 0.00 C ATOM 311 C THR A 26 -5.425 6.497 -6.230 1.00 0.00 C ATOM 312 O THR A 26 -6.076 7.077 -7.100 1.00 0.00 O ATOM 313 CB THR A 26 -3.904 8.043 -4.996 1.00 0.00 C ATOM 314 OG1 THR A 26 -2.732 7.224 -5.081 1.00 0.00 O ATOM 315 CG2 THR A 26 -3.790 8.978 -3.802 1.00 0.00 C ATOM 0 H THR A 26 -4.096 5.714 -3.795 1.00 0.00 H new ATOM 0 HA THR A 26 -6.011 7.782 -4.611 1.00 0.00 H new ATOM 0 HB THR A 26 -3.992 8.644 -5.901 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.939 7.795 -5.155 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.896 9.593 -3.905 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.669 9.621 -3.758 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.723 8.392 -2.886 1.00 0.00 H new ATOM 323 N THR A 27 -4.919 5.279 -6.397 1.00 0.00 N ATOM 324 CA THR A 27 -5.103 4.540 -7.640 1.00 0.00 C ATOM 325 C THR A 27 -6.523 3.998 -7.753 1.00 0.00 C ATOM 326 O THR A 27 -7.269 4.368 -8.660 1.00 0.00 O ATOM 327 CB THR A 27 -4.108 3.368 -7.748 1.00 0.00 C ATOM 328 OG1 THR A 27 -2.766 3.851 -7.621 1.00 0.00 O ATOM 329 CG2 THR A 27 -4.268 2.644 -9.076 1.00 0.00 C ATOM 0 H THR A 27 -4.379 4.784 -5.687 1.00 0.00 H new ATOM 0 HA THR A 27 -4.919 5.240 -8.455 1.00 0.00 H new ATOM 0 HB THR A 27 -4.319 2.666 -6.941 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.140 3.100 -7.689 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.556 1.821 -9.130 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.282 2.252 -9.157 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.081 3.339 -9.894 1.00 0.00 H new ATOM 337 N CYS A 28 -6.892 3.121 -6.826 1.00 0.00 N ATOM 338 CA CYS A 28 -8.224 2.528 -6.821 1.00 0.00 C ATOM 339 C CYS A 28 -9.197 3.383 -6.013 1.00 0.00 C ATOM 340 O CYS A 28 -10.318 3.644 -6.447 1.00 0.00 O ATOM 341 CB CYS A 28 -8.173 1.112 -6.244 1.00 0.00 C ATOM 342 SG CYS A 28 -7.811 1.048 -4.460 1.00 0.00 S ATOM 0 H CYS A 28 -6.287 2.805 -6.068 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.577 2.481 -7.851 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -9.129 0.622 -6.428 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.414 0.541 -6.778 1.00 0.00 H new ATOM 347 N GLY A 29 -8.758 3.816 -4.835 1.00 0.00 N ATOM 348 CA GLY A 29 -9.601 4.636 -3.985 1.00 0.00 C ATOM 349 C GLY A 29 -10.423 3.812 -3.014 1.00 0.00 C ATOM 350 O GLY A 29 -11.602 4.091 -2.797 1.00 0.00 O ATOM 0 H GLY A 29 -7.834 3.613 -4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.978 5.335 -3.427 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.269 5.231 -4.607 1.00 0.00 H new ATOM 354 N GLN A 30 -9.800 2.793 -2.431 1.00 0.00 N ATOM 355 CA GLN A 30 -10.483 1.924 -1.480 1.00 0.00 C ATOM 356 C GLN A 30 -10.303 2.431 -0.053 1.00 0.00 C ATOM 357 O GLN A 30 -9.633 3.438 0.179 1.00 0.00 O ATOM 358 CB GLN A 30 -9.956 0.493 -1.595 1.00 0.00 C ATOM 359 CG GLN A 30 -10.612 -0.310 -2.707 1.00 0.00 C ATOM 360 CD GLN A 30 -11.899 -0.977 -2.264 1.00 0.00 C ATOM 361 OE1 GLN A 30 -11.921 -2.170 -1.962 1.00 0.00 O ATOM 362 NE2 GLN A 30 -12.981 -0.208 -2.224 1.00 0.00 N ATOM 0 H GLN A 30 -8.824 2.549 -2.600 1.00 0.00 H new ATOM 0 HA GLN A 30 -11.547 1.932 -1.718 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.880 0.524 -1.767 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -10.113 -0.020 -0.646 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.820 0.348 -3.551 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.916 -1.071 -3.060 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -12.917 0.776 -2.483 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -13.876 -0.602 -1.934 1.00 0.00 H new ATOM 371 N HIS A 31 -10.905 1.727 0.901 1.00 0.00 N ATOM 372 CA HIS A 31 -10.811 2.107 2.306 1.00 0.00 C ATOM 373 C HIS A 31 -10.266 0.954 3.144 1.00 0.00 C ATOM 374 O HIS A 31 -10.734 -0.179 3.038 1.00 0.00 O ATOM 375 CB HIS A 31 -12.182 2.533 2.834 1.00 0.00 C ATOM 376 CG HIS A 31 -12.854 3.569 1.987 1.00 0.00 C ATOM 377 ND1 HIS A 31 -13.266 4.791 2.477 1.00 0.00 N ATOM 378 CD2 HIS A 31 -13.184 3.562 0.674 1.00 0.00 C ATOM 379 CE1 HIS A 31 -13.822 5.489 1.503 1.00 0.00 C ATOM 380 NE2 HIS A 31 -13.784 4.766 0.398 1.00 0.00 N ATOM 0 H HIS A 31 -11.463 0.891 0.727 1.00 0.00 H new ATOM 0 HA HIS A 31 -10.123 2.948 2.385 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -12.826 1.656 2.900 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -12.068 2.921 3.846 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -13.008 2.759 -0.026 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -14.237 6.482 1.594 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -14.142 5.055 -0.512 1.00 0.00 H new ATOM 389 N TYR A 32 -9.275 1.252 3.977 1.00 0.00 N ATOM 390 CA TYR A 32 -8.664 0.241 4.831 1.00 0.00 C ATOM 391 C TYR A 32 -8.297 0.826 6.191 1.00 0.00 C ATOM 392 O TYR A 32 -7.545 1.796 6.281 1.00 0.00 O ATOM 393 CB TYR A 32 -7.417 -0.338 4.159 1.00 0.00 C ATOM 394 CG TYR A 32 -7.695 -0.986 2.822 1.00 0.00 C ATOM 395 CD1 TYR A 32 -8.144 -2.298 2.743 1.00 0.00 C ATOM 396 CD2 TYR A 32 -7.509 -0.285 1.636 1.00 0.00 C ATOM 397 CE1 TYR A 32 -8.398 -2.894 1.523 1.00 0.00 C ATOM 398 CE2 TYR A 32 -7.762 -0.872 0.412 1.00 0.00 C ATOM 399 CZ TYR A 32 -8.207 -2.177 0.360 1.00 0.00 C ATOM 400 OH TYR A 32 -8.459 -2.766 -0.857 1.00 0.00 O ATOM 0 H TYR A 32 -8.878 2.186 4.079 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.391 -0.557 4.983 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -6.686 0.458 4.022 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.966 -1.075 4.823 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.297 -2.862 3.651 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.161 0.737 1.673 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -8.744 -3.916 1.480 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.612 -0.313 -0.500 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.275 -2.125 -1.575 1.00 0.00 H new ATOM 410 N HIS A 33 -8.834 0.227 7.250 1.00 0.00 N ATOM 411 CA HIS A 33 -8.564 0.686 8.607 1.00 0.00 C ATOM 412 C HIS A 33 -7.119 0.394 9.002 1.00 0.00 C ATOM 413 O HIS A 33 -6.424 -0.367 8.331 1.00 0.00 O ATOM 414 CB HIS A 33 -9.520 0.017 9.595 1.00 0.00 C ATOM 415 CG HIS A 33 -10.923 0.535 9.515 1.00 0.00 C ATOM 416 ND1 HIS A 33 -12.023 -0.288 9.399 1.00 0.00 N ATOM 417 CD2 HIS A 33 -11.402 1.800 9.537 1.00 0.00 C ATOM 418 CE1 HIS A 33 -13.119 0.449 9.352 1.00 0.00 C ATOM 419 NE2 HIS A 33 -12.769 1.720 9.434 1.00 0.00 N ATOM 0 H HIS A 33 -9.459 -0.577 7.194 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.720 1.764 8.637 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.527 -1.057 9.410 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.144 0.164 10.608 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.818 2.705 9.620 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -14.128 0.076 9.262 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -13.410 2.513 9.423 1.00 0.00 H new ATOM 427 N GLY A 34 -6.674 1.006 10.095 1.00 0.00 N ATOM 428 CA GLY A 34 -5.315 0.800 10.559 1.00 0.00 C ATOM 429 C GLY A 34 -5.155 -0.498 11.327 1.00 0.00 C ATOM 430 O GLY A 34 -4.052 -1.033 11.432 1.00 0.00 O ATOM 0 H GLY A 34 -7.231 1.641 10.667 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.639 0.799 9.704 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.021 1.634 11.196 1.00 0.00 H new ATOM 434 N MET A 35 -6.259 -1.004 11.867 1.00 0.00 N ATOM 435 CA MET A 35 -6.236 -2.247 12.629 1.00 0.00 C ATOM 436 C MET A 35 -6.591 -3.436 11.742 1.00 0.00 C ATOM 437 O MET A 35 -6.008 -4.513 11.868 1.00 0.00 O ATOM 438 CB MET A 35 -7.208 -2.166 13.807 1.00 0.00 C ATOM 439 CG MET A 35 -6.776 -1.186 14.886 1.00 0.00 C ATOM 440 SD MET A 35 -5.624 -1.916 16.065 1.00 0.00 S ATOM 441 CE MET A 35 -4.068 -1.256 15.472 1.00 0.00 C ATOM 0 H MET A 35 -7.180 -0.573 11.791 1.00 0.00 H new ATOM 0 HA MET A 35 -5.225 -2.391 13.011 1.00 0.00 H new ATOM 0 HB2 MET A 35 -8.191 -1.876 13.437 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.314 -3.157 14.249 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.310 -0.319 14.418 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.656 -0.827 15.419 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.349 -1.227 16.291 1.00 0.00 H new ATOM 0 HE2 MET A 35 -3.684 -1.891 14.674 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.223 -0.247 15.090 1.00 0.00 H new ATOM 451 N CYS A 36 -7.551 -3.234 10.846 1.00 0.00 N ATOM 452 CA CYS A 36 -7.985 -4.288 9.938 1.00 0.00 C ATOM 453 C CYS A 36 -6.809 -4.826 9.127 1.00 0.00 C ATOM 454 O CYS A 36 -6.738 -6.020 8.833 1.00 0.00 O ATOM 455 CB CYS A 36 -9.072 -3.765 8.997 1.00 0.00 C ATOM 456 SG CYS A 36 -10.741 -3.748 9.725 1.00 0.00 S ATOM 0 H CYS A 36 -8.044 -2.349 10.729 1.00 0.00 H new ATOM 0 HA CYS A 36 -8.394 -5.102 10.536 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -8.812 -2.753 8.687 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.086 -4.381 8.098 1.00 0.00 H new ATOM 461 N LEU A 37 -5.890 -3.937 8.768 1.00 0.00 N ATOM 462 CA LEU A 37 -4.717 -4.321 7.991 1.00 0.00 C ATOM 463 C LEU A 37 -3.495 -4.477 8.891 1.00 0.00 C ATOM 464 O LEU A 37 -2.406 -4.811 8.423 1.00 0.00 O ATOM 465 CB LEU A 37 -4.436 -3.279 6.906 1.00 0.00 C ATOM 466 CG LEU A 37 -5.138 -3.499 5.566 1.00 0.00 C ATOM 467 CD1 LEU A 37 -4.835 -2.356 4.610 1.00 0.00 C ATOM 468 CD2 LEU A 37 -4.721 -4.830 4.958 1.00 0.00 C ATOM 0 H LEU A 37 -5.934 -2.945 9.002 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.923 -5.282 7.519 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.724 -2.300 7.288 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.361 -3.249 6.729 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.214 -3.523 5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.343 -2.530 3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.184 -1.418 5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.760 -2.299 4.440 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.230 -4.970 4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.643 -4.835 4.798 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.991 -5.640 5.636 1.00 0.00 H new ATOM 480 N ASP A 38 -3.684 -4.236 10.183 1.00 0.00 N ATOM 481 CA ASP A 38 -2.598 -4.353 11.150 1.00 0.00 C ATOM 482 C ASP A 38 -1.470 -3.380 10.820 1.00 0.00 C ATOM 483 O ASP A 38 -0.292 -3.722 10.927 1.00 0.00 O ATOM 484 CB ASP A 38 -2.062 -5.785 11.176 1.00 0.00 C ATOM 485 CG ASP A 38 -3.171 -6.818 11.147 1.00 0.00 C ATOM 486 OD1 ASP A 38 -3.835 -7.005 12.188 1.00 0.00 O ATOM 487 OD2 ASP A 38 -3.375 -7.440 10.084 1.00 0.00 O ATOM 0 H ASP A 38 -4.579 -3.958 10.586 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.993 -4.103 12.135 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.403 -5.939 10.321 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.459 -5.928 12.073 1.00 0.00 H new ATOM 492 N ILE A 39 -1.839 -2.169 10.417 1.00 0.00 N ATOM 493 CA ILE A 39 -0.857 -1.148 10.072 1.00 0.00 C ATOM 494 C ILE A 39 -0.779 -0.073 11.151 1.00 0.00 C ATOM 495 O ILE A 39 -1.795 0.324 11.721 1.00 0.00 O ATOM 496 CB ILE A 39 -1.189 -0.481 8.724 1.00 0.00 C ATOM 497 CG1 ILE A 39 -1.240 -1.530 7.611 1.00 0.00 C ATOM 498 CG2 ILE A 39 -0.164 0.595 8.398 1.00 0.00 C ATOM 499 CD1 ILE A 39 -1.753 -0.989 6.294 1.00 0.00 C ATOM 0 H ILE A 39 -2.810 -1.871 10.321 1.00 0.00 H new ATOM 0 HA ILE A 39 0.107 -1.651 9.993 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.169 -0.010 8.800 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.241 -1.939 7.462 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.878 -2.355 7.929 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.413 1.057 7.442 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.172 1.354 9.181 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.828 0.146 8.337 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.762 -1.787 5.552 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.765 -0.606 6.427 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.102 -0.184 5.953 1.00 0.00 H new ATOM 511 N ALA A 40 0.435 0.394 11.426 1.00 0.00 N ATOM 512 CA ALA A 40 0.646 1.425 12.434 1.00 0.00 C ATOM 513 C ALA A 40 0.423 2.816 11.852 1.00 0.00 C ATOM 514 O ALA A 40 1.249 3.321 11.091 1.00 0.00 O ATOM 515 CB ALA A 40 2.046 1.313 13.018 1.00 0.00 C ATOM 0 H ALA A 40 1.287 0.074 10.965 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.082 1.273 13.231 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.190 2.089 13.770 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.170 0.333 13.480 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.782 1.436 12.224 1.00 0.00 H new ATOM 521 N VAL A 41 -0.698 3.432 12.213 1.00 0.00 N ATOM 522 CA VAL A 41 -1.029 4.766 11.726 1.00 0.00 C ATOM 523 C VAL A 41 0.118 5.740 11.969 1.00 0.00 C ATOM 524 O VAL A 41 0.583 5.900 13.098 1.00 0.00 O ATOM 525 CB VAL A 41 -2.303 5.310 12.401 1.00 0.00 C ATOM 526 CG1 VAL A 41 -2.630 6.701 11.881 1.00 0.00 C ATOM 527 CG2 VAL A 41 -3.470 4.360 12.178 1.00 0.00 C ATOM 0 H VAL A 41 -1.393 3.028 12.841 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.205 4.677 10.654 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.123 5.383 13.474 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.533 7.069 12.369 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.801 7.374 12.097 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.792 6.658 10.804 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.362 4.759 12.661 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.653 4.254 11.109 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.232 3.385 12.604 1.00 0.00 H new ATOM 537 N THR A 42 0.571 6.391 10.902 1.00 0.00 N ATOM 538 CA THR A 42 1.664 7.349 10.999 1.00 0.00 C ATOM 539 C THR A 42 1.409 8.566 10.116 1.00 0.00 C ATOM 540 O THR A 42 0.800 8.472 9.050 1.00 0.00 O ATOM 541 CB THR A 42 3.008 6.712 10.598 1.00 0.00 C ATOM 542 OG1 THR A 42 3.967 7.733 10.305 1.00 0.00 O ATOM 543 CG2 THR A 42 2.837 5.806 9.387 1.00 0.00 C ATOM 0 H THR A 42 0.197 6.272 9.961 1.00 0.00 H new ATOM 0 HA THR A 42 1.716 7.663 12.041 1.00 0.00 H new ATOM 0 HB THR A 42 3.364 6.111 11.435 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.819 7.319 10.053 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.799 5.367 9.122 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.129 5.012 9.624 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.460 6.389 8.547 1.00 0.00 H new ATOM 551 N PRO A 43 1.885 9.736 10.567 1.00 0.00 N ATOM 552 CA PRO A 43 1.721 10.993 9.831 1.00 0.00 C ATOM 553 C PRO A 43 2.557 11.033 8.557 1.00 0.00 C ATOM 554 O PRO A 43 2.553 12.027 7.830 1.00 0.00 O ATOM 555 CB PRO A 43 2.209 12.051 10.824 1.00 0.00 C ATOM 556 CG PRO A 43 3.152 11.323 11.719 1.00 0.00 C ATOM 557 CD PRO A 43 2.620 9.921 11.829 1.00 0.00 C ATOM 0 HA PRO A 43 0.693 11.140 9.500 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.705 12.875 10.312 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.379 12.479 11.387 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.161 11.326 11.308 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.206 11.798 12.699 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.424 9.193 11.936 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.968 9.805 12.695 1.00 0.00 H new ATOM 565 N LEU A 44 3.272 9.946 8.290 1.00 0.00 N ATOM 566 CA LEU A 44 4.113 9.856 7.102 1.00 0.00 C ATOM 567 C LEU A 44 3.432 9.031 6.014 1.00 0.00 C ATOM 568 O LEU A 44 3.595 9.298 4.823 1.00 0.00 O ATOM 569 CB LEU A 44 5.466 9.236 7.456 1.00 0.00 C ATOM 570 CG LEU A 44 6.479 9.138 6.315 1.00 0.00 C ATOM 571 CD1 LEU A 44 7.260 10.436 6.181 1.00 0.00 C ATOM 572 CD2 LEU A 44 7.423 7.966 6.538 1.00 0.00 C ATOM 0 H LEU A 44 3.286 9.114 8.880 1.00 0.00 H new ATOM 0 HA LEU A 44 4.271 10.865 6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.911 9.820 8.261 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.292 8.234 7.848 1.00 0.00 H new ATOM 0 HG LEU A 44 5.935 8.968 5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.976 10.347 5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.572 11.255 5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.793 10.637 7.110 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.137 7.912 5.716 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.960 8.105 7.476 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.850 7.040 6.582 1.00 0.00 H new ATOM 584 N LYS A 45 2.667 8.028 6.431 1.00 0.00 N ATOM 585 CA LYS A 45 1.957 7.166 5.494 1.00 0.00 C ATOM 586 C LYS A 45 0.651 7.811 5.041 1.00 0.00 C ATOM 587 O LYS A 45 0.415 7.984 3.845 1.00 0.00 O ATOM 588 CB LYS A 45 1.670 5.807 6.136 1.00 0.00 C ATOM 589 CG LYS A 45 2.919 4.986 6.407 1.00 0.00 C ATOM 590 CD LYS A 45 2.581 3.650 7.048 1.00 0.00 C ATOM 591 CE LYS A 45 3.836 2.865 7.396 1.00 0.00 C ATOM 592 NZ LYS A 45 4.275 3.113 8.797 1.00 0.00 N ATOM 0 H LYS A 45 2.523 7.792 7.413 1.00 0.00 H new ATOM 0 HA LYS A 45 2.593 7.022 4.620 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.137 5.963 7.074 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.007 5.239 5.484 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.454 4.817 5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.588 5.545 7.061 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.993 3.817 7.951 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.962 3.065 6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.648 1.800 7.257 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.638 3.139 6.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.800 2.286 9.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.890 3.951 8.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.442 3.275 9.398 1.00 0.00 H new ATOM 606 N ARG A 46 -0.192 8.167 6.004 1.00 0.00 N ATOM 607 CA ARG A 46 -1.474 8.794 5.704 1.00 0.00 C ATOM 608 C ARG A 46 -1.368 9.683 4.468 1.00 0.00 C ATOM 609 O ARG A 46 -2.112 9.512 3.503 1.00 0.00 O ATOM 610 CB ARG A 46 -1.954 9.620 6.899 1.00 0.00 C ATOM 611 CG ARG A 46 -2.531 8.780 8.027 1.00 0.00 C ATOM 612 CD ARG A 46 -2.865 9.633 9.241 1.00 0.00 C ATOM 613 NE ARG A 46 -3.942 10.580 8.965 1.00 0.00 N ATOM 614 CZ ARG A 46 -4.565 11.280 9.907 1.00 0.00 C ATOM 615 NH1 ARG A 46 -4.219 11.139 11.180 1.00 0.00 N ATOM 616 NH2 ARG A 46 -5.535 12.122 9.577 1.00 0.00 N ATOM 0 H ARG A 46 -0.011 8.032 6.999 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.198 8.004 5.502 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.119 10.206 7.284 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.711 10.328 6.560 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.430 8.271 7.680 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.816 8.007 8.309 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.154 8.987 10.070 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.975 10.178 9.557 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.232 10.711 7.996 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.473 10.492 11.437 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.699 11.677 11.901 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.803 12.233 8.599 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.013 12.659 10.301 1.00 0.00 H new ATOM 630 N ALA A 47 -0.438 10.632 4.506 1.00 0.00 N ATOM 631 CA ALA A 47 -0.234 11.546 3.389 1.00 0.00 C ATOM 632 C ALA A 47 0.256 10.801 2.152 1.00 0.00 C ATOM 633 O ALA A 47 1.403 10.358 2.095 1.00 0.00 O ATOM 634 CB ALA A 47 0.753 12.638 3.774 1.00 0.00 C ATOM 0 H ALA A 47 0.186 10.788 5.298 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.193 12.006 3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.896 13.313 2.930 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.363 13.197 4.625 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.708 12.187 4.043 1.00 0.00 H new ATOM 640 N GLY A 48 -0.621 10.664 1.162 1.00 0.00 N ATOM 641 CA GLY A 48 -0.259 9.971 -0.060 1.00 0.00 C ATOM 642 C GLY A 48 -0.019 8.490 0.162 1.00 0.00 C ATOM 643 O GLY A 48 1.003 7.950 -0.259 1.00 0.00 O ATOM 0 H GLY A 48 -1.576 11.021 1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.052 10.101 -0.796 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.641 10.423 -0.478 1.00 0.00 H new ATOM 647 N TRP A 49 -0.962 7.834 0.828 1.00 0.00 N ATOM 648 CA TRP A 49 -0.848 6.407 1.107 1.00 0.00 C ATOM 649 C TRP A 49 -1.289 5.579 -0.095 1.00 0.00 C ATOM 650 O TRP A 49 -1.993 6.075 -0.975 1.00 0.00 O ATOM 651 CB TRP A 49 -1.685 6.037 2.332 1.00 0.00 C ATOM 652 CG TRP A 49 -1.696 4.567 2.623 1.00 0.00 C ATOM 653 CD1 TRP A 49 -0.747 3.859 3.304 1.00 0.00 C ATOM 654 CD2 TRP A 49 -2.703 3.624 2.239 1.00 0.00 C ATOM 655 NE1 TRP A 49 -1.103 2.534 3.367 1.00 0.00 N ATOM 656 CE2 TRP A 49 -2.300 2.364 2.722 1.00 0.00 C ATOM 657 CE3 TRP A 49 -3.907 3.723 1.537 1.00 0.00 C ATOM 658 CZ2 TRP A 49 -3.058 1.213 2.522 1.00 0.00 C ATOM 659 CZ3 TRP A 49 -4.659 2.580 1.340 1.00 0.00 C ATOM 660 CH2 TRP A 49 -4.233 1.339 1.831 1.00 0.00 C ATOM 0 H TRP A 49 -1.814 8.267 1.185 1.00 0.00 H new ATOM 0 HA TRP A 49 0.200 6.186 1.311 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -1.298 6.569 3.201 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -2.709 6.377 2.179 1.00 0.00 H new ATOM 0 HD1 TRP A 49 0.152 4.280 3.730 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.564 1.796 3.820 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.244 4.675 1.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -2.731 0.255 2.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.591 2.645 0.798 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -4.844 0.465 1.661 1.00 0.00 H new ATOM 671 N GLN A 50 -0.872 4.318 -0.126 1.00 0.00 N ATOM 672 CA GLN A 50 -1.225 3.423 -1.221 1.00 0.00 C ATOM 673 C GLN A 50 -1.586 2.037 -0.697 1.00 0.00 C ATOM 674 O GLN A 50 -0.928 1.511 0.201 1.00 0.00 O ATOM 675 CB GLN A 50 -0.069 3.320 -2.217 1.00 0.00 C ATOM 676 CG GLN A 50 -0.062 4.427 -3.259 1.00 0.00 C ATOM 677 CD GLN A 50 0.686 4.039 -4.519 1.00 0.00 C ATOM 678 OE1 GLN A 50 1.861 4.368 -4.683 1.00 0.00 O ATOM 679 NE2 GLN A 50 0.008 3.334 -5.416 1.00 0.00 N ATOM 0 H GLN A 50 -0.289 3.893 0.595 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.096 3.837 -1.729 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.874 3.342 -1.670 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.122 2.356 -2.723 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.089 4.685 -3.516 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.393 5.320 -2.831 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.965 3.083 -5.238 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.460 3.043 -6.283 1.00 0.00 H new ATOM 688 N CYS A 51 -2.635 1.450 -1.264 1.00 0.00 N ATOM 689 CA CYS A 51 -3.084 0.125 -0.854 1.00 0.00 C ATOM 690 C CYS A 51 -2.197 -0.961 -1.457 1.00 0.00 C ATOM 691 O CYS A 51 -1.544 -0.766 -2.482 1.00 0.00 O ATOM 692 CB CYS A 51 -4.538 -0.096 -1.276 1.00 0.00 C ATOM 693 SG CYS A 51 -4.734 -0.681 -2.990 1.00 0.00 S ATOM 0 H CYS A 51 -3.190 1.871 -2.009 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.014 0.065 0.232 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.995 -0.820 -0.602 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.086 0.839 -1.158 1.00 0.00 H new ATOM 698 N PRO A 52 -2.172 -2.133 -0.806 1.00 0.00 N ATOM 699 CA PRO A 52 -1.370 -3.273 -1.259 1.00 0.00 C ATOM 700 C PRO A 52 -1.911 -3.888 -2.545 1.00 0.00 C ATOM 701 O PRO A 52 -1.317 -4.812 -3.100 1.00 0.00 O ATOM 702 CB PRO A 52 -1.484 -4.269 -0.102 1.00 0.00 C ATOM 703 CG PRO A 52 -2.768 -3.924 0.570 1.00 0.00 C ATOM 704 CD PRO A 52 -2.925 -2.436 0.423 1.00 0.00 C ATOM 0 HA PRO A 52 -0.345 -2.983 -1.491 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.490 -5.297 -0.464 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.641 -4.178 0.583 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.603 -4.452 0.110 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.748 -4.212 1.621 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.973 -2.149 0.333 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.521 -1.902 1.283 1.00 0.00 H new ATOM 712 N GLU A 53 -3.041 -3.368 -3.015 1.00 0.00 N ATOM 713 CA GLU A 53 -3.662 -3.867 -4.236 1.00 0.00 C ATOM 714 C GLU A 53 -3.258 -3.017 -5.438 1.00 0.00 C ATOM 715 O GLU A 53 -3.444 -3.418 -6.587 1.00 0.00 O ATOM 716 CB GLU A 53 -5.185 -3.877 -4.094 1.00 0.00 C ATOM 717 CG GLU A 53 -5.675 -4.587 -2.843 1.00 0.00 C ATOM 718 CD GLU A 53 -5.901 -6.070 -3.064 1.00 0.00 C ATOM 719 OE1 GLU A 53 -5.121 -6.681 -3.824 1.00 0.00 O ATOM 720 OE2 GLU A 53 -6.857 -6.618 -2.479 1.00 0.00 O ATOM 0 H GLU A 53 -3.545 -2.602 -2.569 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.313 -4.887 -4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.547 -2.849 -4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.620 -4.359 -4.969 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.947 -4.450 -2.043 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.605 -4.127 -2.510 1.00 0.00 H new ATOM 727 N CYS A 54 -2.705 -1.840 -5.164 1.00 0.00 N ATOM 728 CA CYS A 54 -2.275 -0.932 -6.220 1.00 0.00 C ATOM 729 C CYS A 54 -0.783 -0.631 -6.105 1.00 0.00 C ATOM 730 O CYS A 54 -0.055 -0.654 -7.097 1.00 0.00 O ATOM 731 CB CYS A 54 -3.076 0.370 -6.158 1.00 0.00 C ATOM 732 SG CYS A 54 -4.855 0.166 -6.490 1.00 0.00 S ATOM 0 H CYS A 54 -2.544 -1.493 -4.218 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.456 -1.417 -7.179 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.950 0.814 -5.171 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.661 1.074 -6.880 1.00 0.00 H new ATOM 737 N LYS A 55 -0.335 -0.348 -4.887 1.00 0.00 N ATOM 738 CA LYS A 55 1.070 -0.044 -4.639 1.00 0.00 C ATOM 739 C LYS A 55 1.967 -0.770 -5.636 1.00 0.00 C ATOM 740 O LYS A 55 1.690 -1.905 -6.024 1.00 0.00 O ATOM 741 CB LYS A 55 1.454 -0.436 -3.211 1.00 0.00 C ATOM 742 CG LYS A 55 1.751 -1.916 -3.045 1.00 0.00 C ATOM 743 CD LYS A 55 2.050 -2.266 -1.597 1.00 0.00 C ATOM 744 CE LYS A 55 3.447 -1.819 -1.193 1.00 0.00 C ATOM 745 NZ LYS A 55 3.827 -2.334 0.152 1.00 0.00 N ATOM 0 H LYS A 55 -0.925 -0.323 -4.055 1.00 0.00 H new ATOM 0 HA LYS A 55 1.211 1.030 -4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.330 0.138 -2.909 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.644 -0.159 -2.537 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.899 -2.500 -3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.601 -2.190 -3.669 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.313 -1.793 -0.948 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.956 -3.343 -1.455 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.168 -2.168 -1.932 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.494 -0.730 -1.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.845 -2.185 0.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.288 -1.827 0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.614 -3.350 0.207 1.00 0.00 H new ATOM 759 N VAL A 56 3.046 -0.109 -6.045 1.00 0.00 N ATOM 760 CA VAL A 56 3.986 -0.693 -6.994 1.00 0.00 C ATOM 761 C VAL A 56 5.417 -0.277 -6.677 1.00 0.00 C ATOM 762 O VAL A 56 5.657 0.521 -5.769 1.00 0.00 O ATOM 763 CB VAL A 56 3.652 -0.282 -8.440 1.00 0.00 C ATOM 764 CG1 VAL A 56 2.211 -0.636 -8.777 1.00 0.00 C ATOM 765 CG2 VAL A 56 3.906 1.205 -8.643 1.00 0.00 C ATOM 0 H VAL A 56 3.290 0.831 -5.734 1.00 0.00 H new ATOM 0 HA VAL A 56 3.897 -1.775 -6.902 1.00 0.00 H new ATOM 0 HB VAL A 56 4.304 -0.835 -9.116 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.993 -0.338 -9.803 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.067 -1.711 -8.673 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.539 -0.112 -8.097 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.665 1.478 -9.670 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.280 1.778 -7.959 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.955 1.425 -8.446 1.00 0.00 H new ATOM 775 N CYS A 57 6.367 -0.821 -7.430 1.00 0.00 N ATOM 776 CA CYS A 57 7.777 -0.507 -7.230 1.00 0.00 C ATOM 777 C CYS A 57 8.076 0.932 -7.640 1.00 0.00 C ATOM 778 O CYS A 57 7.410 1.492 -8.510 1.00 0.00 O ATOM 779 CB CYS A 57 8.654 -1.470 -8.032 1.00 0.00 C ATOM 780 SG CYS A 57 10.423 -1.398 -7.601 1.00 0.00 S ATOM 0 H CYS A 57 6.186 -1.482 -8.185 1.00 0.00 H new ATOM 0 HA CYS A 57 8.002 -0.619 -6.169 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.294 -2.487 -7.877 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.540 -1.250 -9.093 1.00 0.00 H new ATOM 785 N GLN A 58 9.083 1.525 -7.006 1.00 0.00 N ATOM 786 CA GLN A 58 9.471 2.898 -7.304 1.00 0.00 C ATOM 787 C GLN A 58 10.752 2.935 -8.130 1.00 0.00 C ATOM 788 O GLN A 58 11.112 3.970 -8.689 1.00 0.00 O ATOM 789 CB GLN A 58 9.663 3.689 -6.009 1.00 0.00 C ATOM 790 CG GLN A 58 8.358 4.048 -5.316 1.00 0.00 C ATOM 791 CD GLN A 58 7.519 5.022 -6.121 1.00 0.00 C ATOM 792 OE1 GLN A 58 8.002 6.072 -6.545 1.00 0.00 O ATOM 793 NE2 GLN A 58 6.255 4.678 -6.335 1.00 0.00 N ATOM 0 H GLN A 58 9.645 1.076 -6.283 1.00 0.00 H new ATOM 0 HA GLN A 58 8.671 3.356 -7.886 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.280 3.106 -5.325 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.211 4.605 -6.230 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.783 3.139 -5.139 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.576 4.482 -4.340 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.896 3.798 -5.965 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.642 5.294 -6.870 1.00 0.00 H new ATOM 802 N ASN A 59 11.437 1.798 -8.203 1.00 0.00 N ATOM 803 CA ASN A 59 12.679 1.701 -8.960 1.00 0.00 C ATOM 804 C ASN A 59 12.402 1.342 -10.417 1.00 0.00 C ATOM 805 O ASN A 59 12.949 1.955 -11.334 1.00 0.00 O ATOM 806 CB ASN A 59 13.603 0.656 -8.333 1.00 0.00 C ATOM 807 CG ASN A 59 14.219 1.134 -7.032 1.00 0.00 C ATOM 808 OD1 ASN A 59 14.942 2.130 -7.004 1.00 0.00 O ATOM 809 ND2 ASN A 59 13.933 0.424 -5.946 1.00 0.00 N ATOM 0 H ASN A 59 11.152 0.931 -7.747 1.00 0.00 H new ATOM 0 HA ASN A 59 13.169 2.674 -8.931 1.00 0.00 H new ATOM 0 HB2 ASN A 59 13.040 -0.260 -8.150 1.00 0.00 H new ATOM 0 HB3 ASN A 59 14.397 0.407 -9.038 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.318 0.698 -5.042 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.329 -0.395 -6.016 1.00 0.00 H new ATOM 816 N CYS A 60 11.547 0.345 -10.622 1.00 0.00 N ATOM 817 CA CYS A 60 11.195 -0.096 -11.966 1.00 0.00 C ATOM 818 C CYS A 60 9.816 0.420 -12.365 1.00 0.00 C ATOM 819 O CYS A 60 9.555 0.686 -13.538 1.00 0.00 O ATOM 820 CB CYS A 60 11.222 -1.624 -12.047 1.00 0.00 C ATOM 821 SG CYS A 60 9.927 -2.444 -11.064 1.00 0.00 S ATOM 0 H CYS A 60 11.085 -0.172 -9.874 1.00 0.00 H new ATOM 0 HA CYS A 60 11.931 0.312 -12.659 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.116 -1.924 -13.090 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.197 -1.978 -11.711 1.00 0.00 H new ATOM 826 N LYS A 61 8.935 0.561 -11.380 1.00 0.00 N ATOM 827 CA LYS A 61 7.583 1.047 -11.625 1.00 0.00 C ATOM 828 C LYS A 61 6.777 0.031 -12.428 1.00 0.00 C ATOM 829 O LYS A 61 6.070 0.391 -13.370 1.00 0.00 O ATOM 830 CB LYS A 61 7.626 2.383 -12.371 1.00 0.00 C ATOM 831 CG LYS A 61 8.484 3.433 -11.687 1.00 0.00 C ATOM 832 CD LYS A 61 7.711 4.162 -10.600 1.00 0.00 C ATOM 833 CE LYS A 61 6.841 5.266 -11.180 1.00 0.00 C ATOM 834 NZ LYS A 61 5.772 5.686 -10.231 1.00 0.00 N ATOM 0 H LYS A 61 9.134 0.345 -10.403 1.00 0.00 H new ATOM 0 HA LYS A 61 7.096 1.192 -10.661 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.006 2.215 -13.379 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.610 2.766 -12.473 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.364 2.959 -11.253 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.840 4.151 -12.426 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.086 3.452 -10.058 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.409 4.588 -9.879 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.463 6.125 -11.430 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.387 4.921 -12.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.201 6.440 -10.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.163 4.872 -10.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.205 6.040 -9.354 1.00 0.00 H new ATOM 848 N GLN A 62 6.887 -1.238 -12.049 1.00 0.00 N ATOM 849 CA GLN A 62 6.168 -2.305 -12.734 1.00 0.00 C ATOM 850 C GLN A 62 5.596 -3.305 -11.735 1.00 0.00 C ATOM 851 O GLN A 62 6.338 -4.029 -11.072 1.00 0.00 O ATOM 852 CB GLN A 62 7.093 -3.023 -13.719 1.00 0.00 C ATOM 853 CG GLN A 62 7.446 -2.189 -14.940 1.00 0.00 C ATOM 854 CD GLN A 62 6.448 -2.356 -16.069 1.00 0.00 C ATOM 855 OE1 GLN A 62 5.265 -2.605 -15.836 1.00 0.00 O ATOM 856 NE2 GLN A 62 6.921 -2.219 -17.302 1.00 0.00 N ATOM 0 H GLN A 62 7.467 -1.552 -11.271 1.00 0.00 H new ATOM 0 HA GLN A 62 5.342 -1.856 -13.284 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.011 -3.304 -13.203 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.615 -3.947 -14.046 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.495 -1.138 -14.656 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.438 -2.470 -15.293 1.00 0.00 H new ATOM 0 HE21 GLN A 62 7.909 -2.013 -17.449 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.296 -2.320 -18.102 1.00 0.00 H new ATOM 865 N SER A 63 4.271 -3.340 -11.632 1.00 0.00 N ATOM 866 CA SER A 63 3.599 -4.248 -10.710 1.00 0.00 C ATOM 867 C SER A 63 3.657 -5.684 -11.223 1.00 0.00 C ATOM 868 O SER A 63 3.316 -5.958 -12.373 1.00 0.00 O ATOM 869 CB SER A 63 2.143 -3.823 -10.513 1.00 0.00 C ATOM 870 OG SER A 63 1.343 -4.214 -11.616 1.00 0.00 O ATOM 0 H SER A 63 3.642 -2.750 -12.176 1.00 0.00 H new ATOM 0 HA SER A 63 4.116 -4.202 -9.752 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.751 -4.270 -9.599 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.091 -2.742 -10.387 1.00 0.00 H new ATOM 0 HG SER A 63 1.847 -4.835 -12.182 1.00 0.00 H new ATOM 876 N GLY A 64 4.092 -6.597 -10.361 1.00 0.00 N ATOM 877 CA GLY A 64 4.187 -7.994 -10.744 1.00 0.00 C ATOM 878 C GLY A 64 4.650 -8.878 -9.603 1.00 0.00 C ATOM 879 O GLY A 64 3.948 -9.808 -9.207 1.00 0.00 O ATOM 0 H GLY A 64 4.381 -6.395 -9.404 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.214 -8.338 -11.095 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.880 -8.092 -11.580 1.00 0.00 H new ATOM 883 N GLU A 65 5.835 -8.588 -9.074 1.00 0.00 N ATOM 884 CA GLU A 65 6.390 -9.366 -7.974 1.00 0.00 C ATOM 885 C GLU A 65 6.093 -8.701 -6.633 1.00 0.00 C ATOM 886 O GLU A 65 6.655 -7.655 -6.309 1.00 0.00 O ATOM 887 CB GLU A 65 7.901 -9.533 -8.149 1.00 0.00 C ATOM 888 CG GLU A 65 8.282 -10.547 -9.214 1.00 0.00 C ATOM 889 CD GLU A 65 7.791 -10.156 -10.595 1.00 0.00 C ATOM 890 OE1 GLU A 65 8.252 -9.118 -11.115 1.00 0.00 O ATOM 891 OE2 GLU A 65 6.947 -10.887 -11.154 1.00 0.00 O ATOM 0 H GLU A 65 6.428 -7.821 -9.390 1.00 0.00 H new ATOM 0 HA GLU A 65 5.919 -10.349 -7.985 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.337 -8.568 -8.406 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.337 -9.837 -7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.366 -10.656 -9.235 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.869 -11.520 -8.948 1.00 0.00 H new ATOM 898 N ASP A 66 5.206 -9.316 -5.858 1.00 0.00 N ATOM 899 CA ASP A 66 4.834 -8.784 -4.552 1.00 0.00 C ATOM 900 C ASP A 66 5.685 -9.406 -3.450 1.00 0.00 C ATOM 901 O ASP A 66 6.320 -8.698 -2.667 1.00 0.00 O ATOM 902 CB ASP A 66 3.352 -9.044 -4.276 1.00 0.00 C ATOM 903 CG ASP A 66 2.456 -8.515 -5.379 1.00 0.00 C ATOM 904 OD1 ASP A 66 2.655 -8.914 -6.546 1.00 0.00 O ATOM 905 OD2 ASP A 66 1.557 -7.703 -5.076 1.00 0.00 O ATOM 0 H ASP A 66 4.732 -10.183 -6.111 1.00 0.00 H new ATOM 0 HA ASP A 66 5.012 -7.709 -4.561 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.189 -10.116 -4.162 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.074 -8.577 -3.331 1.00 0.00 H new ATOM 910 N SER A 67 5.694 -10.734 -3.393 1.00 0.00 N ATOM 911 CA SER A 67 6.464 -11.451 -2.383 1.00 0.00 C ATOM 912 C SER A 67 7.881 -10.895 -2.284 1.00 0.00 C ATOM 913 O SER A 67 8.287 -10.377 -1.243 1.00 0.00 O ATOM 914 CB SER A 67 6.512 -12.944 -2.713 1.00 0.00 C ATOM 915 OG SER A 67 5.209 -13.500 -2.751 1.00 0.00 O ATOM 0 H SER A 67 5.177 -11.335 -4.034 1.00 0.00 H new ATOM 0 HA SER A 67 5.971 -11.314 -1.421 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.002 -13.091 -3.676 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.112 -13.465 -1.967 1.00 0.00 H new ATOM 0 HG SER A 67 5.267 -14.454 -2.966 1.00 0.00 H new ATOM 921 N LYS A 68 8.631 -11.006 -3.376 1.00 0.00 N ATOM 922 CA LYS A 68 10.003 -10.514 -3.415 1.00 0.00 C ATOM 923 C LYS A 68 10.058 -9.027 -3.081 1.00 0.00 C ATOM 924 O LYS A 68 10.950 -8.574 -2.365 1.00 0.00 O ATOM 925 CB LYS A 68 10.616 -10.760 -4.796 1.00 0.00 C ATOM 926 CG LYS A 68 10.928 -12.221 -5.071 1.00 0.00 C ATOM 927 CD LYS A 68 11.462 -12.421 -6.479 1.00 0.00 C ATOM 928 CE LYS A 68 12.962 -12.178 -6.546 1.00 0.00 C ATOM 929 NZ LYS A 68 13.602 -12.957 -7.641 1.00 0.00 N ATOM 0 H LYS A 68 8.311 -11.432 -4.246 1.00 0.00 H new ATOM 0 HA LYS A 68 10.579 -11.058 -2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.930 -10.394 -5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.533 -10.178 -4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.661 -12.580 -4.348 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.027 -12.819 -4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.241 -13.435 -6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.952 -11.743 -7.163 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.151 -11.115 -6.698 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.417 -12.450 -5.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.624 -12.764 -7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.444 -13.973 -7.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.186 -12.680 -8.553 1.00 0.00 H new ATOM 943 N MET A 69 9.096 -8.272 -3.603 1.00 0.00 N ATOM 944 CA MET A 69 9.034 -6.836 -3.357 1.00 0.00 C ATOM 945 C MET A 69 9.012 -6.541 -1.861 1.00 0.00 C ATOM 946 O MET A 69 8.065 -6.903 -1.161 1.00 0.00 O ATOM 947 CB MET A 69 7.797 -6.235 -4.027 1.00 0.00 C ATOM 948 CG MET A 69 7.573 -4.771 -3.687 1.00 0.00 C ATOM 949 SD MET A 69 5.883 -4.233 -4.012 1.00 0.00 S ATOM 950 CE MET A 69 6.078 -3.449 -5.611 1.00 0.00 C ATOM 0 H MET A 69 8.350 -8.631 -4.198 1.00 0.00 H new ATOM 0 HA MET A 69 9.927 -6.380 -3.785 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.893 -6.338 -5.108 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.918 -6.807 -3.729 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.807 -4.607 -2.635 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.263 -4.158 -4.266 1.00 0.00 H new ATOM 0 HE1 MET A 69 5.097 -3.272 -6.051 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.598 -2.499 -5.489 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.658 -4.099 -6.267 1.00 0.00 H new ATOM 960 N LEU A 70 10.059 -5.882 -1.376 1.00 0.00 N ATOM 961 CA LEU A 70 10.159 -5.539 0.038 1.00 0.00 C ATOM 962 C LEU A 70 9.162 -4.444 0.404 1.00 0.00 C ATOM 963 O LEU A 70 8.950 -3.502 -0.359 1.00 0.00 O ATOM 964 CB LEU A 70 11.580 -5.083 0.373 1.00 0.00 C ATOM 965 CG LEU A 70 12.687 -6.112 0.140 1.00 0.00 C ATOM 966 CD1 LEU A 70 14.051 -5.439 0.146 1.00 0.00 C ATOM 967 CD2 LEU A 70 12.626 -7.209 1.193 1.00 0.00 C ATOM 0 H LEU A 70 10.850 -5.575 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 70 9.923 -6.430 0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.805 -4.196 -0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.606 -4.781 1.420 1.00 0.00 H new ATOM 0 HG LEU A 70 12.534 -6.567 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.826 -6.187 -0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.091 -4.691 -0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.214 -4.956 1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.421 -7.932 1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.753 -6.771 2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.660 -7.711 1.140 1.00 0.00 H new ATOM 979 N VAL A 71 8.553 -4.574 1.579 1.00 0.00 N ATOM 980 CA VAL A 71 7.581 -3.594 2.049 1.00 0.00 C ATOM 981 C VAL A 71 8.105 -2.840 3.266 1.00 0.00 C ATOM 982 O VAL A 71 8.069 -3.347 4.387 1.00 0.00 O ATOM 983 CB VAL A 71 6.241 -4.262 2.410 1.00 0.00 C ATOM 984 CG1 VAL A 71 5.279 -3.243 3.003 1.00 0.00 C ATOM 985 CG2 VAL A 71 5.633 -4.932 1.187 1.00 0.00 C ATOM 0 H VAL A 71 8.716 -5.348 2.223 1.00 0.00 H new ATOM 0 HA VAL A 71 7.420 -2.891 1.232 1.00 0.00 H new ATOM 0 HB VAL A 71 6.428 -5.030 3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.338 -3.733 3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.714 -2.814 3.905 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.095 -2.451 2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.687 -5.399 1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.459 -4.186 0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.317 -5.692 0.811 1.00 0.00 H new ATOM 995 N CYS A 72 8.592 -1.625 3.037 1.00 0.00 N ATOM 996 CA CYS A 72 9.123 -0.799 4.114 1.00 0.00 C ATOM 997 C CYS A 72 8.156 -0.754 5.294 1.00 0.00 C ATOM 998 O CYS A 72 6.983 -1.102 5.161 1.00 0.00 O ATOM 999 CB CYS A 72 9.397 0.620 3.610 1.00 0.00 C ATOM 1000 SG CYS A 72 10.771 1.459 4.461 1.00 0.00 S ATOM 0 H CYS A 72 8.630 -1.191 2.115 1.00 0.00 H new ATOM 0 HA CYS A 72 10.059 -1.245 4.451 1.00 0.00 H new ATOM 0 HB2 CYS A 72 9.616 0.579 2.543 1.00 0.00 H new ATOM 0 HB3 CYS A 72 8.492 1.217 3.728 1.00 0.00 H new ATOM 1005 N ASP A 73 8.657 -0.321 6.446 1.00 0.00 N ATOM 1006 CA ASP A 73 7.837 -0.229 7.649 1.00 0.00 C ATOM 1007 C ASP A 73 7.527 1.227 7.984 1.00 0.00 C ATOM 1008 O ASP A 73 6.523 1.527 8.630 1.00 0.00 O ATOM 1009 CB ASP A 73 8.546 -0.897 8.827 1.00 0.00 C ATOM 1010 CG ASP A 73 7.725 -0.848 10.100 1.00 0.00 C ATOM 1011 OD1 ASP A 73 6.486 -0.971 10.011 1.00 0.00 O ATOM 1012 OD2 ASP A 73 8.321 -0.687 11.186 1.00 0.00 O ATOM 0 H ASP A 73 9.626 -0.028 6.572 1.00 0.00 H new ATOM 0 HA ASP A 73 6.897 -0.748 7.460 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.761 -1.936 8.576 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.504 -0.406 8.997 1.00 0.00 H new ATOM 1017 N THR A 74 8.398 2.129 7.543 1.00 0.00 N ATOM 1018 CA THR A 74 8.219 3.553 7.798 1.00 0.00 C ATOM 1019 C THR A 74 7.348 4.198 6.727 1.00 0.00 C ATOM 1020 O THR A 74 6.294 4.760 7.025 1.00 0.00 O ATOM 1021 CB THR A 74 9.572 4.288 7.855 1.00 0.00 C ATOM 1022 OG1 THR A 74 10.439 3.647 8.797 1.00 0.00 O ATOM 1023 CG2 THR A 74 9.380 5.745 8.245 1.00 0.00 C ATOM 0 H THR A 74 9.235 1.899 7.007 1.00 0.00 H new ATOM 0 HA THR A 74 7.725 3.641 8.766 1.00 0.00 H new ATOM 0 HB THR A 74 10.023 4.250 6.863 1.00 0.00 H new ATOM 0 HG1 THR A 74 11.297 4.119 8.826 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.349 6.243 8.279 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.744 6.238 7.510 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.909 5.800 9.227 1.00 0.00 H new ATOM 1031 N CYS A 75 7.794 4.114 5.478 1.00 0.00 N ATOM 1032 CA CYS A 75 7.055 4.690 4.361 1.00 0.00 C ATOM 1033 C CYS A 75 5.987 3.722 3.858 1.00 0.00 C ATOM 1034 O CYS A 75 4.966 4.138 3.311 1.00 0.00 O ATOM 1035 CB CYS A 75 8.010 5.049 3.221 1.00 0.00 C ATOM 1036 SG CYS A 75 8.708 3.607 2.353 1.00 0.00 S ATOM 0 H CYS A 75 8.664 3.652 5.214 1.00 0.00 H new ATOM 0 HA CYS A 75 6.563 5.597 4.713 1.00 0.00 H new ATOM 0 HB2 CYS A 75 7.480 5.672 2.500 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.827 5.649 3.621 1.00 0.00 H new ATOM 1041 N ASP A 76 6.232 2.430 4.048 1.00 0.00 N ATOM 1042 CA ASP A 76 5.291 1.403 3.616 1.00 0.00 C ATOM 1043 C ASP A 76 5.170 1.382 2.096 1.00 0.00 C ATOM 1044 O ASP A 76 4.070 1.474 1.549 1.00 0.00 O ATOM 1045 CB ASP A 76 3.918 1.640 4.247 1.00 0.00 C ATOM 1046 CG ASP A 76 2.929 0.541 3.912 1.00 0.00 C ATOM 1047 OD1 ASP A 76 2.981 -0.522 4.565 1.00 0.00 O ATOM 1048 OD2 ASP A 76 2.104 0.743 2.997 1.00 0.00 O ATOM 0 H ASP A 76 7.073 2.069 4.498 1.00 0.00 H new ATOM 0 HA ASP A 76 5.671 0.436 3.945 1.00 0.00 H new ATOM 0 HB2 ASP A 76 4.026 1.710 5.329 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.524 2.596 3.904 1.00 0.00 H new ATOM 1053 N LYS A 77 6.306 1.262 1.418 1.00 0.00 N ATOM 1054 CA LYS A 77 6.329 1.229 -0.039 1.00 0.00 C ATOM 1055 C LYS A 77 6.878 -0.101 -0.545 1.00 0.00 C ATOM 1056 O LYS A 77 7.341 -0.930 0.237 1.00 0.00 O ATOM 1057 CB LYS A 77 7.175 2.383 -0.583 1.00 0.00 C ATOM 1058 CG LYS A 77 6.408 3.687 -0.722 1.00 0.00 C ATOM 1059 CD LYS A 77 7.138 4.669 -1.622 1.00 0.00 C ATOM 1060 CE LYS A 77 6.506 6.052 -1.566 1.00 0.00 C ATOM 1061 NZ LYS A 77 5.456 6.225 -2.607 1.00 0.00 N ATOM 0 H LYS A 77 7.224 1.186 1.855 1.00 0.00 H new ATOM 0 HA LYS A 77 5.305 1.338 -0.396 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.027 2.541 0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.575 2.101 -1.557 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.417 3.486 -1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.264 4.132 0.262 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.183 4.733 -1.320 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.124 4.303 -2.649 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.070 6.212 -0.580 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.278 6.810 -1.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.050 7.180 -2.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.877 6.098 -3.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.706 5.519 -2.464 1.00 0.00 H new ATOM 1075 N GLY A 78 6.824 -0.297 -1.859 1.00 0.00 N ATOM 1076 CA GLY A 78 7.321 -1.527 -2.447 1.00 0.00 C ATOM 1077 C GLY A 78 8.651 -1.338 -3.150 1.00 0.00 C ATOM 1078 O GLY A 78 8.834 -0.377 -3.898 1.00 0.00 O ATOM 0 H GLY A 78 6.445 0.374 -2.527 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.430 -2.281 -1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.588 -1.908 -3.159 1.00 0.00 H new ATOM 1082 N TYR A 79 9.581 -2.256 -2.911 1.00 0.00 N ATOM 1083 CA TYR A 79 10.901 -2.184 -3.524 1.00 0.00 C ATOM 1084 C TYR A 79 11.449 -3.580 -3.804 1.00 0.00 C ATOM 1085 O TYR A 79 11.740 -4.342 -2.881 1.00 0.00 O ATOM 1086 CB TYR A 79 11.866 -1.417 -2.619 1.00 0.00 C ATOM 1087 CG TYR A 79 11.457 0.018 -2.376 1.00 0.00 C ATOM 1088 CD1 TYR A 79 11.734 1.008 -3.311 1.00 0.00 C ATOM 1089 CD2 TYR A 79 10.794 0.385 -1.211 1.00 0.00 C ATOM 1090 CE1 TYR A 79 11.363 2.321 -3.093 1.00 0.00 C ATOM 1091 CE2 TYR A 79 10.417 1.695 -0.985 1.00 0.00 C ATOM 1092 CZ TYR A 79 10.704 2.659 -1.929 1.00 0.00 C ATOM 1093 OH TYR A 79 10.332 3.965 -1.708 1.00 0.00 O ATOM 0 H TYR A 79 9.445 -3.059 -2.297 1.00 0.00 H new ATOM 0 HA TYR A 79 10.805 -1.655 -4.472 1.00 0.00 H new ATOM 0 HB2 TYR A 79 11.940 -1.932 -1.661 1.00 0.00 H new ATOM 0 HB3 TYR A 79 12.860 -1.432 -3.066 1.00 0.00 H new ATOM 0 HD1 TYR A 79 12.248 0.747 -4.224 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.569 -0.367 -0.469 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.588 3.078 -3.830 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.901 1.963 -0.075 1.00 0.00 H new ATOM 0 HH TYR A 79 10.156 4.405 -2.566 1.00 0.00 H new ATOM 1103 N HIS A 80 11.589 -3.909 -5.084 1.00 0.00 N ATOM 1104 CA HIS A 80 12.104 -5.212 -5.487 1.00 0.00 C ATOM 1105 C HIS A 80 13.576 -5.354 -5.114 1.00 0.00 C ATOM 1106 O HIS A 80 14.327 -4.379 -5.123 1.00 0.00 O ATOM 1107 CB HIS A 80 11.926 -5.411 -6.993 1.00 0.00 C ATOM 1108 CG HIS A 80 10.493 -5.496 -7.420 1.00 0.00 C ATOM 1109 ND1 HIS A 80 9.979 -4.772 -8.475 1.00 0.00 N ATOM 1110 CD2 HIS A 80 9.465 -6.227 -6.930 1.00 0.00 C ATOM 1111 CE1 HIS A 80 8.695 -5.053 -8.614 1.00 0.00 C ATOM 1112 NE2 HIS A 80 8.358 -5.933 -7.689 1.00 0.00 N ATOM 0 H HIS A 80 11.353 -3.291 -5.860 1.00 0.00 H new ATOM 0 HA HIS A 80 11.538 -5.978 -4.957 1.00 0.00 H new ATOM 0 HB2 HIS A 80 12.405 -4.586 -7.519 1.00 0.00 H new ATOM 0 HB3 HIS A 80 12.441 -6.323 -7.294 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.507 -6.914 -6.097 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.034 -4.634 -9.358 1.00 0.00 H new ATOM 0 HE2 HIS A 80 7.427 -6.330 -7.559 1.00 0.00 H new ATOM 1120 N THR A 81 13.983 -6.577 -4.784 1.00 0.00 N ATOM 1121 CA THR A 81 15.365 -6.846 -4.406 1.00 0.00 C ATOM 1122 C THR A 81 16.318 -6.549 -5.558 1.00 0.00 C ATOM 1123 O THR A 81 17.277 -5.793 -5.404 1.00 0.00 O ATOM 1124 CB THR A 81 15.551 -8.310 -3.965 1.00 0.00 C ATOM 1125 OG1 THR A 81 15.036 -9.193 -4.967 1.00 0.00 O ATOM 1126 CG2 THR A 81 14.846 -8.570 -2.642 1.00 0.00 C ATOM 0 H THR A 81 13.375 -7.396 -4.771 1.00 0.00 H new ATOM 0 HA THR A 81 15.597 -6.189 -3.568 1.00 0.00 H new ATOM 0 HB THR A 81 16.617 -8.494 -3.833 1.00 0.00 H new ATOM 0 HG1 THR A 81 15.160 -10.122 -4.680 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.991 -9.610 -2.351 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.261 -7.917 -1.874 1.00 0.00 H new ATOM 0 HG23 THR A 81 13.780 -8.369 -2.752 1.00 0.00 H new ATOM 1134 N PHE A 82 16.048 -7.149 -6.713 1.00 0.00 N ATOM 1135 CA PHE A 82 16.883 -6.949 -7.891 1.00 0.00 C ATOM 1136 C PHE A 82 16.903 -5.479 -8.300 1.00 0.00 C ATOM 1137 O PHE A 82 17.887 -4.991 -8.858 1.00 0.00 O ATOM 1138 CB PHE A 82 16.376 -7.806 -9.053 1.00 0.00 C ATOM 1139 CG PHE A 82 14.896 -7.694 -9.279 1.00 0.00 C ATOM 1140 CD1 PHE A 82 14.381 -6.719 -10.118 1.00 0.00 C ATOM 1141 CD2 PHE A 82 14.018 -8.565 -8.653 1.00 0.00 C ATOM 1142 CE1 PHE A 82 13.019 -6.613 -10.327 1.00 0.00 C ATOM 1143 CE2 PHE A 82 12.655 -8.464 -8.859 1.00 0.00 C ATOM 1144 CZ PHE A 82 12.155 -7.488 -9.698 1.00 0.00 C ATOM 0 H PHE A 82 15.258 -7.777 -6.858 1.00 0.00 H new ATOM 0 HA PHE A 82 17.900 -7.253 -7.641 1.00 0.00 H new ATOM 0 HB2 PHE A 82 16.898 -7.514 -9.964 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.628 -8.849 -8.862 1.00 0.00 H new ATOM 0 HD1 PHE A 82 15.052 -6.034 -10.615 1.00 0.00 H new ATOM 0 HD2 PHE A 82 14.403 -9.331 -7.997 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.631 -5.847 -10.982 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.982 -9.148 -8.364 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.090 -7.409 -9.862 1.00 0.00 H new ATOM 1154 N CYS A 83 15.810 -4.778 -8.020 1.00 0.00 N ATOM 1155 CA CYS A 83 15.699 -3.364 -8.358 1.00 0.00 C ATOM 1156 C CYS A 83 16.638 -2.524 -7.497 1.00 0.00 C ATOM 1157 O CYS A 83 17.036 -1.424 -7.884 1.00 0.00 O ATOM 1158 CB CYS A 83 14.257 -2.886 -8.177 1.00 0.00 C ATOM 1159 SG CYS A 83 13.172 -3.243 -9.596 1.00 0.00 S ATOM 0 H CYS A 83 14.987 -5.167 -7.559 1.00 0.00 H new ATOM 0 HA CYS A 83 15.986 -3.242 -9.402 1.00 0.00 H new ATOM 0 HB2 CYS A 83 13.839 -3.355 -7.286 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.262 -1.811 -7.998 1.00 0.00 H new ATOM 1164 N LEU A 84 16.987 -3.048 -6.327 1.00 0.00 N ATOM 1165 CA LEU A 84 17.879 -2.347 -5.410 1.00 0.00 C ATOM 1166 C LEU A 84 19.324 -2.423 -5.892 1.00 0.00 C ATOM 1167 O LEU A 84 19.751 -3.436 -6.444 1.00 0.00 O ATOM 1168 CB LEU A 84 17.766 -2.940 -4.005 1.00 0.00 C ATOM 1169 CG LEU A 84 16.420 -2.751 -3.303 1.00 0.00 C ATOM 1170 CD1 LEU A 84 16.305 -3.686 -2.109 1.00 0.00 C ATOM 1171 CD2 LEU A 84 16.244 -1.304 -2.868 1.00 0.00 C ATOM 0 H LEU A 84 16.666 -3.956 -5.991 1.00 0.00 H new ATOM 0 HA LEU A 84 17.580 -1.299 -5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.975 -4.008 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 84 18.543 -2.498 -3.382 1.00 0.00 H new ATOM 0 HG LEU A 84 15.626 -2.996 -4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 84 15.341 -3.537 -1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.385 -4.719 -2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.106 -3.472 -1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.281 -1.188 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 84 17.043 -1.031 -2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 84 16.281 -0.654 -3.742 1.00 0.00 H new ATOM 1183 N GLN A 85 20.072 -1.346 -5.676 1.00 0.00 N ATOM 1184 CA GLN A 85 21.470 -1.292 -6.087 1.00 0.00 C ATOM 1185 C GLN A 85 22.369 -0.929 -4.910 1.00 0.00 C ATOM 1186 O GLN A 85 22.450 0.226 -4.491 1.00 0.00 O ATOM 1187 CB GLN A 85 21.653 -0.276 -7.216 1.00 0.00 C ATOM 1188 CG GLN A 85 20.947 1.047 -6.964 1.00 0.00 C ATOM 1189 CD GLN A 85 21.454 2.159 -7.861 1.00 0.00 C ATOM 1190 OE1 GLN A 85 20.672 2.860 -8.504 1.00 0.00 O ATOM 1191 NE2 GLN A 85 22.771 2.327 -7.908 1.00 0.00 N ATOM 0 H GLN A 85 19.734 -0.499 -5.219 1.00 0.00 H new ATOM 0 HA GLN A 85 21.755 -2.280 -6.448 1.00 0.00 H new ATOM 0 HB2 GLN A 85 22.718 -0.089 -7.357 1.00 0.00 H new ATOM 0 HB3 GLN A 85 21.280 -0.706 -8.145 1.00 0.00 H new ATOM 0 HG2 GLN A 85 19.876 0.919 -7.121 1.00 0.00 H new ATOM 0 HG3 GLN A 85 21.084 1.335 -5.922 1.00 0.00 H new ATOM 0 HE21 GLN A 85 23.382 1.723 -7.358 1.00 0.00 H new ATOM 0 HE22 GLN A 85 23.171 3.060 -8.494 1.00 0.00 H new ATOM 1200 N PRO A 86 23.063 -1.938 -4.362 1.00 0.00 N ATOM 1201 CA PRO A 86 22.975 -3.317 -4.852 1.00 0.00 C ATOM 1202 C PRO A 86 21.623 -3.954 -4.551 1.00 0.00 C ATOM 1203 O PRO A 86 20.741 -3.318 -3.972 1.00 0.00 O ATOM 1204 CB PRO A 86 24.088 -4.037 -4.085 1.00 0.00 C ATOM 1205 CG PRO A 86 24.270 -3.237 -2.842 1.00 0.00 C ATOM 1206 CD PRO A 86 23.986 -1.810 -3.222 1.00 0.00 C ATOM 0 HA PRO A 86 23.080 -3.372 -5.936 1.00 0.00 H new ATOM 0 HB2 PRO A 86 23.810 -5.066 -3.856 1.00 0.00 H new ATOM 0 HB3 PRO A 86 25.008 -4.078 -4.668 1.00 0.00 H new ATOM 0 HG2 PRO A 86 23.592 -3.574 -2.058 1.00 0.00 H new ATOM 0 HG3 PRO A 86 25.283 -3.343 -2.454 1.00 0.00 H new ATOM 0 HD2 PRO A 86 23.533 -1.257 -2.399 1.00 0.00 H new ATOM 0 HD3 PRO A 86 24.897 -1.279 -3.500 1.00 0.00 H new ATOM 1214 N VAL A 87 21.466 -5.213 -4.947 1.00 0.00 N ATOM 1215 CA VAL A 87 20.221 -5.936 -4.718 1.00 0.00 C ATOM 1216 C VAL A 87 20.317 -6.817 -3.477 1.00 0.00 C ATOM 1217 O VAL A 87 21.357 -7.418 -3.210 1.00 0.00 O ATOM 1218 CB VAL A 87 19.850 -6.813 -5.929 1.00 0.00 C ATOM 1219 CG1 VAL A 87 21.100 -7.231 -6.688 1.00 0.00 C ATOM 1220 CG2 VAL A 87 19.056 -8.031 -5.482 1.00 0.00 C ATOM 0 H VAL A 87 22.185 -5.753 -5.428 1.00 0.00 H new ATOM 0 HA VAL A 87 19.443 -5.187 -4.569 1.00 0.00 H new ATOM 0 HB VAL A 87 19.224 -6.227 -6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 87 20.818 -7.850 -7.540 1.00 0.00 H new ATOM 0 HG12 VAL A 87 21.625 -6.344 -7.042 1.00 0.00 H new ATOM 0 HG13 VAL A 87 21.754 -7.800 -6.027 1.00 0.00 H new ATOM 0 HG21 VAL A 87 18.803 -8.639 -6.351 1.00 0.00 H new ATOM 0 HG22 VAL A 87 19.655 -8.621 -4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 87 18.141 -7.707 -4.986 1.00 0.00 H new ATOM 1230 N MET A 88 19.225 -6.890 -2.723 1.00 0.00 N ATOM 1231 CA MET A 88 19.186 -7.699 -1.511 1.00 0.00 C ATOM 1232 C MET A 88 19.373 -9.178 -1.838 1.00 0.00 C ATOM 1233 O MET A 88 19.271 -9.586 -2.995 1.00 0.00 O ATOM 1234 CB MET A 88 17.861 -7.491 -0.775 1.00 0.00 C ATOM 1235 CG MET A 88 17.799 -6.190 0.009 1.00 0.00 C ATOM 1236 SD MET A 88 18.599 -6.312 1.620 1.00 0.00 S ATOM 1237 CE MET A 88 17.191 -6.123 2.712 1.00 0.00 C ATOM 0 H MET A 88 18.356 -6.399 -2.930 1.00 0.00 H new ATOM 0 HA MET A 88 20.005 -7.381 -0.866 1.00 0.00 H new ATOM 0 HB2 MET A 88 17.046 -7.509 -1.499 1.00 0.00 H new ATOM 0 HB3 MET A 88 17.699 -8.325 -0.092 1.00 0.00 H new ATOM 0 HG2 MET A 88 18.275 -5.398 -0.570 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.757 -5.902 0.146 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.425 -5.390 3.484 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.329 -5.784 2.138 1.00 0.00 H new ATOM 0 HE3 MET A 88 16.962 -7.081 3.179 1.00 0.00 H new ATOM 1247 N LYS A 89 19.647 -9.976 -0.812 1.00 0.00 N ATOM 1248 CA LYS A 89 19.847 -11.409 -0.990 1.00 0.00 C ATOM 1249 C LYS A 89 18.687 -12.199 -0.393 1.00 0.00 C ATOM 1250 O LYS A 89 18.216 -13.171 -0.983 1.00 0.00 O ATOM 1251 CB LYS A 89 21.163 -11.846 -0.341 1.00 0.00 C ATOM 1252 CG LYS A 89 22.380 -11.621 -1.221 1.00 0.00 C ATOM 1253 CD LYS A 89 22.404 -12.585 -2.395 1.00 0.00 C ATOM 1254 CE LYS A 89 23.157 -12.002 -3.581 1.00 0.00 C ATOM 1255 NZ LYS A 89 22.323 -11.035 -4.347 1.00 0.00 N ATOM 0 H LYS A 89 19.736 -9.654 0.152 1.00 0.00 H new ATOM 0 HA LYS A 89 19.891 -11.614 -2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 89 21.296 -11.301 0.594 1.00 0.00 H new ATOM 0 HB3 LYS A 89 21.099 -12.904 -0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 89 22.378 -10.596 -1.591 1.00 0.00 H new ATOM 0 HG3 LYS A 89 23.287 -11.745 -0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 89 22.873 -13.520 -2.089 1.00 0.00 H new ATOM 0 HD3 LYS A 89 21.383 -12.823 -2.693 1.00 0.00 H new ATOM 0 HE2 LYS A 89 24.060 -11.503 -3.228 1.00 0.00 H new ATOM 0 HE3 LYS A 89 23.476 -12.809 -4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 22.872 -10.660 -5.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 21.474 -11.517 -4.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 22.040 -10.252 -3.724 1.00 0.00 H new ATOM 1269 N SER A 90 18.229 -11.773 0.781 1.00 0.00 N ATOM 1270 CA SER A 90 17.125 -12.442 1.458 1.00 0.00 C ATOM 1271 C SER A 90 16.092 -11.430 1.943 1.00 0.00 C ATOM 1272 O SER A 90 16.270 -10.221 1.790 1.00 0.00 O ATOM 1273 CB SER A 90 17.646 -13.262 2.641 1.00 0.00 C ATOM 1274 OG SER A 90 18.434 -14.353 2.197 1.00 0.00 O ATOM 0 H SER A 90 18.606 -10.968 1.282 1.00 0.00 H new ATOM 0 HA SER A 90 16.645 -13.111 0.744 1.00 0.00 H new ATOM 0 HB2 SER A 90 18.239 -12.624 3.297 1.00 0.00 H new ATOM 0 HB3 SER A 90 16.806 -13.631 3.230 1.00 0.00 H new ATOM 0 HG SER A 90 18.756 -14.860 2.971 1.00 0.00 H new ATOM 1280 N VAL A 91 15.010 -11.932 2.529 1.00 0.00 N ATOM 1281 CA VAL A 91 13.947 -11.073 3.038 1.00 0.00 C ATOM 1282 C VAL A 91 13.956 -11.032 4.562 1.00 0.00 C ATOM 1283 O VAL A 91 13.813 -12.052 5.236 1.00 0.00 O ATOM 1284 CB VAL A 91 12.563 -11.547 2.556 1.00 0.00 C ATOM 1285 CG1 VAL A 91 11.467 -10.660 3.126 1.00 0.00 C ATOM 1286 CG2 VAL A 91 12.507 -11.567 1.035 1.00 0.00 C ATOM 0 H VAL A 91 14.846 -12.930 2.663 1.00 0.00 H new ATOM 0 HA VAL A 91 14.135 -10.072 2.649 1.00 0.00 H new ATOM 0 HB VAL A 91 12.400 -12.563 2.916 1.00 0.00 H new ATOM 0 HG11 VAL A 91 10.496 -11.010 2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.495 -10.701 4.215 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.623 -9.632 2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.522 -11.904 0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 91 12.691 -10.564 0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.267 -12.247 0.652 1.00 0.00 H new ATOM 1296 N PRO A 92 14.126 -9.824 5.120 1.00 0.00 N ATOM 1297 CA PRO A 92 14.156 -9.621 6.571 1.00 0.00 C ATOM 1298 C PRO A 92 12.790 -9.834 7.215 1.00 0.00 C ATOM 1299 O PRO A 92 11.838 -10.251 6.554 1.00 0.00 O ATOM 1300 CB PRO A 92 14.592 -8.161 6.716 1.00 0.00 C ATOM 1301 CG PRO A 92 14.170 -7.512 5.443 1.00 0.00 C ATOM 1302 CD PRO A 92 14.301 -8.565 4.378 1.00 0.00 C ATOM 0 HA PRO A 92 14.818 -10.330 7.068 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.118 -7.690 7.577 1.00 0.00 H new ATOM 0 HB3 PRO A 92 15.669 -8.082 6.863 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.144 -7.151 5.511 1.00 0.00 H new ATOM 0 HG3 PRO A 92 14.797 -6.649 5.218 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.545 -8.448 3.602 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.273 -8.520 3.886 1.00 0.00 H new ATOM 1310 N THR A 93 12.700 -9.546 8.510 1.00 0.00 N ATOM 1311 CA THR A 93 11.450 -9.707 9.243 1.00 0.00 C ATOM 1312 C THR A 93 10.941 -8.368 9.762 1.00 0.00 C ATOM 1313 O THR A 93 11.449 -7.841 10.751 1.00 0.00 O ATOM 1314 CB THR A 93 11.617 -10.675 10.430 1.00 0.00 C ATOM 1315 OG1 THR A 93 10.384 -10.783 11.151 1.00 0.00 O ATOM 1316 CG2 THR A 93 12.718 -10.200 11.366 1.00 0.00 C ATOM 0 H THR A 93 13.477 -9.200 9.072 1.00 0.00 H new ATOM 0 HA THR A 93 10.724 -10.122 8.544 1.00 0.00 H new ATOM 0 HB THR A 93 11.894 -11.653 10.036 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.498 -11.401 11.903 1.00 0.00 H new ATOM 0 HG21 THR A 93 12.817 -10.900 12.196 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.661 -10.147 10.822 1.00 0.00 H new ATOM 0 HG23 THR A 93 12.466 -9.212 11.752 1.00 0.00 H new ATOM 1324 N ASN A 94 9.932 -7.823 9.090 1.00 0.00 N ATOM 1325 CA ASN A 94 9.353 -6.544 9.484 1.00 0.00 C ATOM 1326 C ASN A 94 10.416 -5.626 10.081 1.00 0.00 C ATOM 1327 O ASN A 94 10.187 -4.972 11.097 1.00 0.00 O ATOM 1328 CB ASN A 94 8.225 -6.761 10.494 1.00 0.00 C ATOM 1329 CG ASN A 94 6.984 -7.354 9.856 1.00 0.00 C ATOM 1330 OD1 ASN A 94 6.353 -6.730 9.002 1.00 0.00 O ATOM 1331 ND2 ASN A 94 6.626 -8.564 10.270 1.00 0.00 N ATOM 0 H ASN A 94 9.498 -8.247 8.270 1.00 0.00 H new ATOM 0 HA ASN A 94 8.946 -6.067 8.592 1.00 0.00 H new ATOM 0 HB2 ASN A 94 8.574 -7.422 11.287 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.971 -5.809 10.961 1.00 0.00 H new ATOM 0 HD21 ASN A 94 5.798 -9.013 9.878 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.179 -9.044 10.980 1.00 0.00 H new ATOM 1338 N GLY A 95 11.581 -5.583 9.440 1.00 0.00 N ATOM 1339 CA GLY A 95 12.662 -4.743 9.922 1.00 0.00 C ATOM 1340 C GLY A 95 13.555 -4.249 8.801 1.00 0.00 C ATOM 1341 O GLY A 95 14.780 -4.272 8.919 1.00 0.00 O ATOM 0 H GLY A 95 11.795 -6.115 8.596 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.244 -3.888 10.454 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.261 -5.303 10.640 1.00 0.00 H new ATOM 1345 N TRP A 96 12.941 -3.802 7.711 1.00 0.00 N ATOM 1346 CA TRP A 96 13.690 -3.301 6.564 1.00 0.00 C ATOM 1347 C TRP A 96 13.507 -1.796 6.410 1.00 0.00 C ATOM 1348 O TRP A 96 12.510 -1.231 6.862 1.00 0.00 O ATOM 1349 CB TRP A 96 13.244 -4.015 5.287 1.00 0.00 C ATOM 1350 CG TRP A 96 13.994 -3.575 4.067 1.00 0.00 C ATOM 1351 CD1 TRP A 96 15.293 -3.861 3.756 1.00 0.00 C ATOM 1352 CD2 TRP A 96 13.491 -2.768 2.996 1.00 0.00 C ATOM 1353 NE1 TRP A 96 15.628 -3.280 2.556 1.00 0.00 N ATOM 1354 CE2 TRP A 96 14.540 -2.605 2.070 1.00 0.00 C ATOM 1355 CE3 TRP A 96 12.257 -2.169 2.729 1.00 0.00 C ATOM 1356 CZ2 TRP A 96 14.390 -1.868 0.898 1.00 0.00 C ATOM 1357 CZ3 TRP A 96 12.110 -1.438 1.566 1.00 0.00 C ATOM 1358 CH2 TRP A 96 13.171 -1.292 0.662 1.00 0.00 C ATOM 0 H TRP A 96 11.928 -3.776 7.597 1.00 0.00 H new ATOM 0 HA TRP A 96 14.747 -3.504 6.735 1.00 0.00 H new ATOM 0 HB2 TRP A 96 13.373 -5.090 5.416 1.00 0.00 H new ATOM 0 HB3 TRP A 96 12.179 -3.838 5.134 1.00 0.00 H new ATOM 0 HD1 TRP A 96 15.959 -4.456 4.363 1.00 0.00 H new ATOM 0 HE1 TRP A 96 16.539 -3.342 2.101 1.00 0.00 H new ATOM 0 HE3 TRP A 96 11.433 -2.276 3.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 15.206 -1.755 0.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 11.161 -0.971 1.350 1.00 0.00 H new ATOM 0 HH2 TRP A 96 13.024 -0.714 -0.238 1.00 0.00 H new ATOM 1369 N LYS A 97 14.474 -1.149 5.768 1.00 0.00 N ATOM 1370 CA LYS A 97 14.420 0.292 5.552 1.00 0.00 C ATOM 1371 C LYS A 97 14.903 0.651 4.151 1.00 0.00 C ATOM 1372 O LYS A 97 16.047 0.377 3.788 1.00 0.00 O ATOM 1373 CB LYS A 97 15.270 1.017 6.598 1.00 0.00 C ATOM 1374 CG LYS A 97 14.496 1.415 7.842 1.00 0.00 C ATOM 1375 CD LYS A 97 15.171 2.561 8.577 1.00 0.00 C ATOM 1376 CE LYS A 97 14.539 2.798 9.940 1.00 0.00 C ATOM 1377 NZ LYS A 97 14.860 4.152 10.472 1.00 0.00 N ATOM 0 H LYS A 97 15.306 -1.601 5.388 1.00 0.00 H new ATOM 0 HA LYS A 97 13.382 0.611 5.652 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.101 0.374 6.888 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.701 1.911 6.147 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.483 1.707 7.564 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.409 0.556 8.507 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.232 2.341 8.700 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.101 3.470 7.979 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.458 2.685 9.864 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.890 2.040 10.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.411 4.275 11.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.891 4.252 10.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.502 4.876 9.817 1.00 0.00 H new ATOM 1391 N CYS A 98 14.024 1.266 3.366 1.00 0.00 N ATOM 1392 CA CYS A 98 14.360 1.663 2.005 1.00 0.00 C ATOM 1393 C CYS A 98 15.333 2.838 2.006 1.00 0.00 C ATOM 1394 O CYS A 98 15.288 3.696 2.888 1.00 0.00 O ATOM 1395 CB CYS A 98 13.093 2.037 1.233 1.00 0.00 C ATOM 1396 SG CYS A 98 12.383 3.647 1.705 1.00 0.00 S ATOM 0 H CYS A 98 13.073 1.500 3.650 1.00 0.00 H new ATOM 0 HA CYS A 98 14.840 0.816 1.514 1.00 0.00 H new ATOM 0 HB2 CYS A 98 13.321 2.051 0.167 1.00 0.00 H new ATOM 0 HB3 CYS A 98 12.343 1.261 1.389 1.00 0.00 H new ATOM 1401 N LYS A 99 16.214 2.871 1.011 1.00 0.00 N ATOM 1402 CA LYS A 99 17.198 3.941 0.895 1.00 0.00 C ATOM 1403 C LYS A 99 16.546 5.305 1.098 1.00 0.00 C ATOM 1404 O LYS A 99 17.172 6.232 1.610 1.00 0.00 O ATOM 1405 CB LYS A 99 17.879 3.888 -0.475 1.00 0.00 C ATOM 1406 CG LYS A 99 18.839 5.039 -0.721 1.00 0.00 C ATOM 1407 CD LYS A 99 19.489 4.939 -2.091 1.00 0.00 C ATOM 1408 CE LYS A 99 20.313 6.178 -2.408 1.00 0.00 C ATOM 1409 NZ LYS A 99 21.459 5.866 -3.307 1.00 0.00 N ATOM 0 H LYS A 99 16.266 2.169 0.273 1.00 0.00 H new ATOM 0 HA LYS A 99 17.948 3.797 1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.422 2.947 -0.566 1.00 0.00 H new ATOM 0 HB3 LYS A 99 17.115 3.891 -1.252 1.00 0.00 H new ATOM 0 HG2 LYS A 99 18.303 5.985 -0.639 1.00 0.00 H new ATOM 0 HG3 LYS A 99 19.610 5.042 0.049 1.00 0.00 H new ATOM 0 HD2 LYS A 99 20.128 4.056 -2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 99 18.719 4.808 -2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.676 6.927 -2.878 1.00 0.00 H new ATOM 0 HE3 LYS A 99 20.686 6.613 -1.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 21.996 6.736 -3.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 22.081 5.170 -2.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 21.102 5.475 -4.202 1.00 0.00 H new ATOM 1423 N ASN A 100 15.285 5.419 0.695 1.00 0.00 N ATOM 1424 CA ASN A 100 14.548 6.670 0.834 1.00 0.00 C ATOM 1425 C ASN A 100 14.272 6.978 2.302 1.00 0.00 C ATOM 1426 O ASN A 100 14.227 8.141 2.706 1.00 0.00 O ATOM 1427 CB ASN A 100 13.230 6.598 0.060 1.00 0.00 C ATOM 1428 CG ASN A 100 12.159 7.489 0.658 1.00 0.00 C ATOM 1429 OD1 ASN A 100 12.360 8.692 0.827 1.00 0.00 O ATOM 1430 ND2 ASN A 100 11.013 6.901 0.983 1.00 0.00 N ATOM 0 H ASN A 100 14.752 4.661 0.270 1.00 0.00 H new ATOM 0 HA ASN A 100 15.161 7.472 0.422 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.404 6.889 -0.976 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.876 5.567 0.047 1.00 0.00 H new ATOM 0 HD21 ASN A 100 10.256 7.450 1.390 1.00 0.00 H new ATOM 0 HD22 ASN A 100 10.890 5.901 0.825 1.00 0.00 H new ATOM 1437 N CYS A 101 14.088 5.929 3.097 1.00 0.00 N ATOM 1438 CA CYS A 101 13.817 6.086 4.521 1.00 0.00 C ATOM 1439 C CYS A 101 15.116 6.128 5.321 1.00 0.00 C ATOM 1440 O CYS A 101 15.325 7.025 6.138 1.00 0.00 O ATOM 1441 CB CYS A 101 12.933 4.942 5.022 1.00 0.00 C ATOM 1442 SG CYS A 101 11.152 5.204 4.748 1.00 0.00 S ATOM 0 H CYS A 101 14.122 4.960 2.779 1.00 0.00 H new ATOM 0 HA CYS A 101 13.293 7.031 4.664 1.00 0.00 H new ATOM 0 HB2 CYS A 101 13.234 4.020 4.525 1.00 0.00 H new ATOM 0 HB3 CYS A 101 13.109 4.802 6.089 1.00 0.00 H new ATOM 1447 N ARG A 102 15.985 5.152 5.079 1.00 0.00 N ATOM 1448 CA ARG A 102 17.263 5.077 5.777 1.00 0.00 C ATOM 1449 C ARG A 102 17.913 6.454 5.871 1.00 0.00 C ATOM 1450 O ARG A 102 18.632 6.747 6.826 1.00 0.00 O ATOM 1451 CB ARG A 102 18.203 4.105 5.061 1.00 0.00 C ATOM 1452 CG ARG A 102 19.057 4.762 3.989 1.00 0.00 C ATOM 1453 CD ARG A 102 20.129 3.815 3.472 1.00 0.00 C ATOM 1454 NE ARG A 102 20.903 4.406 2.384 1.00 0.00 N ATOM 1455 CZ ARG A 102 21.979 3.836 1.854 1.00 0.00 C ATOM 1456 NH1 ARG A 102 22.406 2.666 2.309 1.00 0.00 N ATOM 1457 NH2 ARG A 102 22.630 4.436 0.865 1.00 0.00 N ATOM 0 H ARG A 102 15.828 4.403 4.405 1.00 0.00 H new ATOM 0 HA ARG A 102 17.076 4.713 6.787 1.00 0.00 H new ATOM 0 HB2 ARG A 102 18.856 3.636 5.797 1.00 0.00 H new ATOM 0 HB3 ARG A 102 17.612 3.310 4.606 1.00 0.00 H new ATOM 0 HG2 ARG A 102 18.423 5.081 3.162 1.00 0.00 H new ATOM 0 HG3 ARG A 102 19.527 5.658 4.395 1.00 0.00 H new ATOM 0 HD2 ARG A 102 20.799 3.545 4.289 1.00 0.00 H new ATOM 0 HD3 ARG A 102 19.662 2.893 3.125 1.00 0.00 H new ATOM 0 HE ARG A 102 20.601 5.306 2.011 1.00 0.00 H new ATOM 0 HH11 ARG A 102 21.908 2.201 3.068 1.00 0.00 H new ATOM 0 HH12 ARG A 102 23.233 2.231 1.900 1.00 0.00 H new ATOM 0 HH21 ARG A 102 22.304 5.336 0.512 1.00 0.00 H new ATOM 0 HH22 ARG A 102 23.456 3.998 0.458 1.00 0.00 H new ATOM 1471 N ILE A 103 17.656 7.293 4.873 1.00 0.00 N ATOM 1472 CA ILE A 103 18.216 8.639 4.844 1.00 0.00 C ATOM 1473 C ILE A 103 18.319 9.222 6.250 1.00 0.00 C ATOM 1474 O ILE A 103 17.378 9.134 7.040 1.00 0.00 O ATOM 1475 CB ILE A 103 17.369 9.582 3.970 1.00 0.00 C ATOM 1476 CG1 ILE A 103 17.344 9.086 2.523 1.00 0.00 C ATOM 1477 CG2 ILE A 103 17.913 11.001 4.040 1.00 0.00 C ATOM 1478 CD1 ILE A 103 18.712 8.742 1.978 1.00 0.00 C ATOM 0 H ILE A 103 17.064 7.065 4.074 1.00 0.00 H new ATOM 0 HA ILE A 103 19.214 8.557 4.413 1.00 0.00 H new ATOM 0 HB ILE A 103 16.348 9.587 4.351 1.00 0.00 H new ATOM 0 HG12 ILE A 103 16.705 8.205 2.461 1.00 0.00 H new ATOM 0 HG13 ILE A 103 16.893 9.852 1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 103 17.304 11.655 3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 103 17.884 11.351 5.072 1.00 0.00 H new ATOM 0 HG23 ILE A 103 18.942 11.014 3.682 1.00 0.00 H new ATOM 0 HD11 ILE A 103 18.617 8.398 0.948 1.00 0.00 H new ATOM 0 HD12 ILE A 103 19.349 9.626 2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 103 19.158 7.954 2.585 1.00 0.00 H new ATOM 1490 N CYS A 104 19.466 9.818 6.554 1.00 0.00 N ATOM 1491 CA CYS A 104 19.692 10.418 7.864 1.00 0.00 C ATOM 1492 C CYS A 104 18.806 11.644 8.062 1.00 0.00 C ATOM 1493 O CYS A 104 19.007 12.676 7.422 1.00 0.00 O ATOM 1494 CB CYS A 104 21.162 10.805 8.024 1.00 0.00 C ATOM 1495 SG CYS A 104 22.308 9.410 7.927 1.00 0.00 S ATOM 0 H CYS A 104 20.254 9.899 5.911 1.00 0.00 H new ATOM 0 HA CYS A 104 19.434 9.680 8.623 1.00 0.00 H new ATOM 0 HB2 CYS A 104 21.422 11.529 7.252 1.00 0.00 H new ATOM 0 HB3 CYS A 104 21.293 11.303 8.985 1.00 0.00 H new ATOM 0 HG CYS A 104 23.527 9.839 8.071 1.00 0.00 H new ATOM 1501 N ILE A 105 17.825 11.521 8.950 1.00 0.00 N ATOM 1502 CA ILE A 105 16.908 12.619 9.230 1.00 0.00 C ATOM 1503 C ILE A 105 17.488 13.567 10.275 1.00 0.00 C ATOM 1504 O ILE A 105 17.428 14.787 10.123 1.00 0.00 O ATOM 1505 CB ILE A 105 15.544 12.102 9.724 1.00 0.00 C ATOM 1506 CG1 ILE A 105 14.919 11.172 8.681 1.00 0.00 C ATOM 1507 CG2 ILE A 105 14.614 13.266 10.029 1.00 0.00 C ATOM 1508 CD1 ILE A 105 14.649 11.847 7.355 1.00 0.00 C ATOM 0 H ILE A 105 17.645 10.673 9.487 1.00 0.00 H new ATOM 0 HA ILE A 105 16.766 13.157 8.293 1.00 0.00 H new ATOM 0 HB ILE A 105 15.698 11.536 10.643 1.00 0.00 H new ATOM 0 HG12 ILE A 105 15.583 10.323 8.519 1.00 0.00 H new ATOM 0 HG13 ILE A 105 13.983 10.775 9.074 1.00 0.00 H new ATOM 0 HG21 ILE A 105 13.654 12.884 10.377 1.00 0.00 H new ATOM 0 HG22 ILE A 105 15.057 13.893 10.803 1.00 0.00 H new ATOM 0 HG23 ILE A 105 14.463 13.857 9.126 1.00 0.00 H new ATOM 0 HD11 ILE A 105 14.206 11.129 6.665 1.00 0.00 H new ATOM 0 HD12 ILE A 105 13.961 12.679 7.504 1.00 0.00 H new ATOM 0 HD13 ILE A 105 15.585 12.220 6.939 1.00 0.00 H new ATOM 1520 N SER A 106 18.051 12.996 11.335 1.00 0.00 N ATOM 1521 CA SER A 106 18.641 13.790 12.407 1.00 0.00 C ATOM 1522 C SER A 106 19.502 14.914 11.840 1.00 0.00 C ATOM 1523 O SER A 106 20.561 14.669 11.264 1.00 0.00 O ATOM 1524 CB SER A 106 19.482 12.901 13.325 1.00 0.00 C ATOM 1525 OG SER A 106 20.086 13.660 14.358 1.00 0.00 O ATOM 0 H SER A 106 18.111 11.987 11.475 1.00 0.00 H new ATOM 0 HA SER A 106 17.831 14.234 12.985 1.00 0.00 H new ATOM 0 HB2 SER A 106 18.853 12.125 13.760 1.00 0.00 H new ATOM 0 HB3 SER A 106 20.253 12.397 12.742 1.00 0.00 H new ATOM 0 HG SER A 106 20.616 13.068 14.931 1.00 0.00 H new ATOM 1531 N GLY A 107 19.039 16.149 12.007 1.00 0.00 N ATOM 1532 CA GLY A 107 19.778 17.293 11.507 1.00 0.00 C ATOM 1533 C GLY A 107 18.944 18.559 11.488 1.00 0.00 C ATOM 1534 O GLY A 107 18.177 18.836 12.410 1.00 0.00 O ATOM 0 H GLY A 107 18.165 16.378 12.480 1.00 0.00 H new ATOM 0 HA2 GLY A 107 20.660 17.452 12.128 1.00 0.00 H new ATOM 0 HA3 GLY A 107 20.133 17.080 10.499 1.00 0.00 H new ATOM 1538 N PRO A 108 19.091 19.352 10.417 1.00 0.00 N ATOM 1539 CA PRO A 108 18.354 20.609 10.256 1.00 0.00 C ATOM 1540 C PRO A 108 16.867 20.382 10.006 1.00 0.00 C ATOM 1541 O PRO A 108 16.425 20.304 8.859 1.00 0.00 O ATOM 1542 CB PRO A 108 19.010 21.251 9.031 1.00 0.00 C ATOM 1543 CG PRO A 108 19.572 20.107 8.259 1.00 0.00 C ATOM 1544 CD PRO A 108 19.987 19.084 9.279 1.00 0.00 C ATOM 0 HA PRO A 108 18.400 21.226 11.154 1.00 0.00 H new ATOM 0 HB2 PRO A 108 18.284 21.809 8.440 1.00 0.00 H new ATOM 0 HB3 PRO A 108 19.791 21.954 9.323 1.00 0.00 H new ATOM 0 HG2 PRO A 108 18.830 19.696 7.574 1.00 0.00 H new ATOM 0 HG3 PRO A 108 20.423 20.424 7.655 1.00 0.00 H new ATOM 0 HD2 PRO A 108 19.865 18.069 8.902 1.00 0.00 H new ATOM 0 HD3 PRO A 108 21.035 19.197 9.558 1.00 0.00 H new ATOM 1552 N SER A 109 16.099 20.276 11.086 1.00 0.00 N ATOM 1553 CA SER A 109 14.662 20.054 10.983 1.00 0.00 C ATOM 1554 C SER A 109 14.026 21.050 10.017 1.00 0.00 C ATOM 1555 O SER A 109 13.003 20.762 9.396 1.00 0.00 O ATOM 1556 CB SER A 109 14.006 20.173 12.360 1.00 0.00 C ATOM 1557 OG SER A 109 14.101 21.496 12.858 1.00 0.00 O ATOM 0 H SER A 109 16.448 20.340 12.042 1.00 0.00 H new ATOM 0 HA SER A 109 14.502 19.047 10.598 1.00 0.00 H new ATOM 0 HB2 SER A 109 12.958 19.881 12.293 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.486 19.484 13.055 1.00 0.00 H new ATOM 0 HG SER A 109 13.673 21.546 13.738 1.00 0.00 H new ATOM 1563 N SER A 110 14.640 22.222 9.896 1.00 0.00 N ATOM 1564 CA SER A 110 14.133 23.263 9.009 1.00 0.00 C ATOM 1565 C SER A 110 14.512 22.974 7.560 1.00 0.00 C ATOM 1566 O SER A 110 15.321 22.090 7.283 1.00 0.00 O ATOM 1567 CB SER A 110 14.679 24.630 9.428 1.00 0.00 C ATOM 1568 OG SER A 110 14.195 25.003 10.706 1.00 0.00 O ATOM 0 H SER A 110 15.489 22.475 10.401 1.00 0.00 H new ATOM 0 HA SER A 110 13.046 23.274 9.087 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.769 24.601 9.443 1.00 0.00 H new ATOM 0 HB3 SER A 110 14.390 25.381 8.693 1.00 0.00 H new ATOM 0 HG SER A 110 14.560 25.879 10.951 1.00 0.00 H new ATOM 1574 N GLY A 111 13.918 23.726 6.638 1.00 0.00 N ATOM 1575 CA GLY A 111 14.205 23.536 5.228 1.00 0.00 C ATOM 1576 C GLY A 111 13.970 24.793 4.414 1.00 0.00 C ATOM 1577 O GLY A 111 14.134 25.890 4.945 1.00 0.00 O ATOM 0 H GLY A 111 13.243 24.463 6.842 1.00 0.00 H new ATOM 0 HA2 GLY A 111 15.241 23.219 5.111 1.00 0.00 H new ATOM 0 HA3 GLY A 111 13.580 22.732 4.838 1.00 0.00 H new TER 1581 GLY A 111 HETATM 1582 ZN ZN A 301 -11.985 -2.214 8.691 1.00 0.00 ZN HETATM 1583 ZN ZN A 501 -5.495 0.921 -4.322 1.00 0.00 ZN HETATM 1584 ZN ZN A 701 11.035 -3.104 -9.095 1.00 0.00 ZN HETATM 1585 ZN ZN A 901 10.852 3.374 3.298 1.00 0.00 ZN