USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 758 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 63 HIS HE2 : A 63 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0788 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.111 USER MOD Single : A 3 SER OG : rot -60:sc= 0.212 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 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.25 X(o=-0.25,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.276 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.85 X(o=-0.85,f=-0.36) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HE2:sc= -1.71! C(o=-1.7!,f=-3.4!) USER MOD Single : A 26 ASN : amide:sc=-0.00385 X(o=-0.0039,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0447 USER MOD Single : A 30 HIS : no HD1:sc= -2.47! C(o=-2.5!,f=-4.5!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.523 K(o=-0.52,f=-1.7) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 61 SER OG : rot 42:sc= 0.464! USER MOD Single : A 62 LYS NZ :NH3+ -131:sc= -0.726 (180deg=-2.8!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 170:sc= 0.115 USER MOD Single : A 72 THR OG1 : rot -45:sc= 0.0669 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 79 LYS NZ :NH3+ -161:sc= 1.17 (180deg=0.878) USER MOD Single : A 80 MET CE :methyl -157:sc= -0.0228 (180deg=-0.716) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 CYS SG : rot -140:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -2.95! X(o=-3!,f=-2.7) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.07 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.132 7.435 24.290 1.00 0.00 N ATOM 2 CA GLY A 1 7.480 6.330 23.612 1.00 0.00 C ATOM 3 C GLY A 1 8.178 5.948 22.322 1.00 0.00 C ATOM 4 O GLY A 1 9.281 6.416 22.043 1.00 0.00 O ATOM 0 H1 GLY A 1 8.410 7.139 25.248 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.978 7.719 23.756 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.476 8.240 24.353 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.452 5.466 24.276 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.446 6.599 23.396 1.00 0.00 H new ATOM 8 N SER A 2 7.534 5.093 21.533 1.00 0.00 N ATOM 9 CA SER A 2 8.103 4.644 20.268 1.00 0.00 C ATOM 10 C SER A 2 7.031 4.580 19.183 1.00 0.00 C ATOM 11 O SER A 2 7.288 4.127 18.068 1.00 0.00 O ATOM 12 CB SER A 2 8.756 3.271 20.437 1.00 0.00 C ATOM 13 OG SER A 2 8.088 2.289 19.664 1.00 0.00 O ATOM 0 H SER A 2 6.618 4.698 21.748 1.00 0.00 H new ATOM 0 HA SER A 2 8.862 5.364 19.963 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.803 3.324 20.138 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.739 2.984 21.488 1.00 0.00 H new ATOM 0 HG SER A 2 8.526 1.421 19.788 1.00 0.00 H new ATOM 19 N SER A 3 5.830 5.037 19.520 1.00 0.00 N ATOM 20 CA SER A 3 4.717 5.029 18.577 1.00 0.00 C ATOM 21 C SER A 3 4.372 3.603 18.156 1.00 0.00 C ATOM 22 O SER A 3 4.295 3.296 16.968 1.00 0.00 O ATOM 23 CB SER A 3 5.059 5.868 17.344 1.00 0.00 C ATOM 24 OG SER A 3 3.920 6.054 16.522 1.00 0.00 O ATOM 0 H SER A 3 5.602 5.417 20.439 1.00 0.00 H new ATOM 0 HA SER A 3 3.849 5.463 19.074 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.448 6.837 17.656 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.847 5.377 16.773 1.00 0.00 H new ATOM 0 HG SER A 3 3.587 5.182 16.222 1.00 0.00 H new ATOM 30 N GLY A 4 4.165 2.736 19.142 1.00 0.00 N ATOM 31 CA GLY A 4 3.831 1.353 18.856 1.00 0.00 C ATOM 32 C GLY A 4 2.469 0.961 19.395 1.00 0.00 C ATOM 33 O GLY A 4 2.175 -0.223 19.556 1.00 0.00 O ATOM 0 H GLY A 4 4.223 2.967 20.134 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.851 1.193 17.778 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.591 0.702 19.289 1.00 0.00 H new ATOM 37 N SER A 5 1.637 1.959 19.677 1.00 0.00 N ATOM 38 CA SER A 5 0.301 1.713 20.207 1.00 0.00 C ATOM 39 C SER A 5 -0.588 2.940 20.029 1.00 0.00 C ATOM 40 O SER A 5 -0.107 4.073 20.023 1.00 0.00 O ATOM 41 CB SER A 5 0.378 1.335 21.687 1.00 0.00 C ATOM 42 OG SER A 5 1.409 2.053 22.344 1.00 0.00 O ATOM 0 H SER A 5 1.865 2.945 19.547 1.00 0.00 H new ATOM 0 HA SER A 5 -0.137 0.884 19.650 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.578 1.542 22.169 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.558 0.264 21.783 1.00 0.00 H new ATOM 0 HG SER A 5 1.436 1.795 23.289 1.00 0.00 H new ATOM 48 N SER A 6 -1.888 2.705 19.885 1.00 0.00 N ATOM 49 CA SER A 6 -2.846 3.789 19.703 1.00 0.00 C ATOM 50 C SER A 6 -3.838 3.838 20.861 1.00 0.00 C ATOM 51 O SER A 6 -4.363 4.898 21.199 1.00 0.00 O ATOM 52 CB SER A 6 -3.596 3.620 18.380 1.00 0.00 C ATOM 53 OG SER A 6 -4.500 2.531 18.443 1.00 0.00 O ATOM 0 H SER A 6 -2.302 1.773 19.891 1.00 0.00 H new ATOM 0 HA SER A 6 -2.294 4.728 19.681 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.140 4.535 18.147 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.883 3.459 17.572 1.00 0.00 H new ATOM 0 HG SER A 6 -4.968 2.445 17.586 1.00 0.00 H new ATOM 59 N GLY A 7 -4.090 2.681 21.465 1.00 0.00 N ATOM 60 CA GLY A 7 -5.018 2.612 22.578 1.00 0.00 C ATOM 61 C GLY A 7 -4.389 3.051 23.886 1.00 0.00 C ATOM 62 O GLY A 7 -3.282 2.631 24.222 1.00 0.00 O ATOM 0 H GLY A 7 -3.668 1.790 21.203 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.883 3.240 22.365 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.384 1.590 22.679 1.00 0.00 H new ATOM 66 N MET A 8 -5.096 3.900 24.625 1.00 0.00 N ATOM 67 CA MET A 8 -4.599 4.396 25.903 1.00 0.00 C ATOM 68 C MET A 8 -5.128 3.551 27.057 1.00 0.00 C ATOM 69 O MET A 8 -6.210 2.967 26.987 1.00 0.00 O ATOM 70 CB MET A 8 -5.005 5.858 26.099 1.00 0.00 C ATOM 71 CG MET A 8 -3.899 6.846 25.764 1.00 0.00 C ATOM 72 SD MET A 8 -4.524 8.509 25.454 1.00 0.00 S ATOM 73 CE MET A 8 -4.261 8.645 23.687 1.00 0.00 C ATOM 0 H MET A 8 -6.014 4.258 24.361 1.00 0.00 H new ATOM 0 HA MET A 8 -3.511 4.326 25.893 1.00 0.00 H new ATOM 0 HB2 MET A 8 -5.873 6.072 25.476 1.00 0.00 H new ATOM 0 HB3 MET A 8 -5.312 6.006 27.135 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.184 6.878 26.586 1.00 0.00 H new ATOM 0 HG3 MET A 8 -3.358 6.496 24.885 1.00 0.00 H new ATOM 0 HE1 MET A 8 -4.599 9.622 23.343 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.200 8.530 23.467 1.00 0.00 H new ATOM 0 HE3 MET A 8 -4.824 7.865 23.174 1.00 0.00 H new ATOM 83 N PRO A 9 -4.348 3.481 28.147 1.00 0.00 N ATOM 84 CA PRO A 9 -4.718 2.709 29.337 1.00 0.00 C ATOM 85 C PRO A 9 -5.886 3.333 30.093 1.00 0.00 C ATOM 86 O PRO A 9 -5.941 4.549 30.278 1.00 0.00 O ATOM 87 CB PRO A 9 -3.448 2.744 30.191 1.00 0.00 C ATOM 88 CG PRO A 9 -2.738 3.982 29.762 1.00 0.00 C ATOM 89 CD PRO A 9 -3.046 4.151 28.300 1.00 0.00 C ATOM 0 HA PRO A 9 -5.050 1.702 29.083 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.686 2.772 31.254 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.835 1.858 30.025 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.078 4.845 30.335 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.664 3.893 29.927 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.100 5.203 28.019 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.282 3.692 27.673 1.00 0.00 H new ATOM 97 N THR A 10 -6.820 2.493 30.528 1.00 0.00 N ATOM 98 CA THR A 10 -7.988 2.962 31.263 1.00 0.00 C ATOM 99 C THR A 10 -8.075 2.303 32.635 1.00 0.00 C ATOM 100 O THR A 10 -9.009 2.554 33.396 1.00 0.00 O ATOM 101 CB THR A 10 -9.289 2.683 30.488 1.00 0.00 C ATOM 102 OG1 THR A 10 -9.305 3.434 29.269 1.00 0.00 O ATOM 103 CG2 THR A 10 -10.506 3.042 31.327 1.00 0.00 C ATOM 0 H THR A 10 -6.790 1.484 30.384 1.00 0.00 H new ATOM 0 HA THR A 10 -7.872 4.039 31.387 1.00 0.00 H new ATOM 0 HB THR A 10 -9.327 1.618 30.258 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.135 3.249 28.782 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.413 2.836 30.759 1.00 0.00 H new ATOM 0 HG22 THR A 10 -10.507 2.447 32.240 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.471 4.101 31.584 1.00 0.00 H new ATOM 111 N ASN A 11 -7.095 1.461 32.945 1.00 0.00 N ATOM 112 CA ASN A 11 -7.062 0.766 34.227 1.00 0.00 C ATOM 113 C ASN A 11 -5.711 0.090 34.444 1.00 0.00 C ATOM 114 O ASN A 11 -5.012 -0.248 33.488 1.00 0.00 O ATOM 115 CB ASN A 11 -8.182 -0.274 34.296 1.00 0.00 C ATOM 116 CG ASN A 11 -8.366 -1.014 32.985 1.00 0.00 C ATOM 117 OD1 ASN A 11 -7.696 -2.014 32.724 1.00 0.00 O ATOM 118 ND2 ASN A 11 -9.277 -0.524 32.152 1.00 0.00 N ATOM 0 H ASN A 11 -6.314 1.243 32.327 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.211 1.503 35.016 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.960 -0.991 35.087 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.116 0.219 34.566 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.445 -0.979 31.255 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.809 0.307 32.410 1.00 0.00 H new ATOM 125 N CYS A 12 -5.350 -0.105 35.708 1.00 0.00 N ATOM 126 CA CYS A 12 -4.084 -0.740 36.053 1.00 0.00 C ATOM 127 C CYS A 12 -4.231 -2.258 36.096 1.00 0.00 C ATOM 128 O CYS A 12 -5.101 -2.788 36.787 1.00 0.00 O ATOM 129 CB CYS A 12 -3.583 -0.226 37.404 1.00 0.00 C ATOM 130 SG CYS A 12 -1.955 -0.884 37.892 1.00 0.00 S ATOM 0 H CYS A 12 -5.917 0.168 36.511 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.356 -0.485 35.283 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.528 0.862 37.369 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.312 -0.484 38.172 1.00 0.00 H new ATOM 135 N ALA A 13 -3.375 -2.952 35.354 1.00 0.00 N ATOM 136 CA ALA A 13 -3.408 -4.409 35.309 1.00 0.00 C ATOM 137 C ALA A 13 -3.352 -5.002 36.713 1.00 0.00 C ATOM 138 O ALA A 13 -3.809 -6.122 36.942 1.00 0.00 O ATOM 139 CB ALA A 13 -2.257 -4.937 34.465 1.00 0.00 C ATOM 0 H ALA A 13 -2.649 -2.529 34.775 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.349 -4.713 34.851 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.294 -6.026 34.440 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.341 -4.548 33.450 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.310 -4.616 34.899 1.00 0.00 H new ATOM 145 N ALA A 14 -2.790 -4.245 37.649 1.00 0.00 N ATOM 146 CA ALA A 14 -2.676 -4.696 39.030 1.00 0.00 C ATOM 147 C ALA A 14 -4.048 -4.991 39.626 1.00 0.00 C ATOM 148 O ALA A 14 -4.791 -4.076 39.980 1.00 0.00 O ATOM 149 CB ALA A 14 -1.948 -3.655 39.867 1.00 0.00 C ATOM 0 H ALA A 14 -2.406 -3.316 37.476 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.099 -5.621 39.038 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.870 -4.005 40.896 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.949 -3.496 39.461 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.503 -2.717 39.844 1.00 0.00 H new ATOM 155 N ALA A 15 -4.378 -6.274 39.734 1.00 0.00 N ATOM 156 CA ALA A 15 -5.661 -6.689 40.288 1.00 0.00 C ATOM 157 C ALA A 15 -5.994 -5.901 41.550 1.00 0.00 C ATOM 158 O ALA A 15 -7.163 -5.681 41.866 1.00 0.00 O ATOM 159 CB ALA A 15 -5.650 -8.181 40.583 1.00 0.00 C ATOM 0 H ALA A 15 -3.774 -7.044 39.445 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.433 -6.482 39.547 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.614 -8.477 40.996 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.465 -8.733 39.661 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.863 -8.404 41.303 1.00 0.00 H new ATOM 165 N GLY A 16 -4.959 -5.477 42.269 1.00 0.00 N ATOM 166 CA GLY A 16 -5.164 -4.719 43.489 1.00 0.00 C ATOM 167 C GLY A 16 -4.660 -3.294 43.377 1.00 0.00 C ATOM 168 O GLY A 16 -3.612 -2.953 43.926 1.00 0.00 O ATOM 0 H GLY A 16 -3.982 -5.645 42.028 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.227 -4.707 43.732 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.654 -5.218 44.313 1.00 0.00 H new ATOM 172 N CYS A 17 -5.407 -2.458 42.663 1.00 0.00 N ATOM 173 CA CYS A 17 -5.030 -1.062 42.478 1.00 0.00 C ATOM 174 C CYS A 17 -6.253 -0.206 42.163 1.00 0.00 C ATOM 175 O CYS A 17 -7.297 -0.720 41.761 1.00 0.00 O ATOM 176 CB CYS A 17 -4.001 -0.935 41.354 1.00 0.00 C ATOM 177 SG CYS A 17 -3.187 0.693 41.272 1.00 0.00 S ATOM 0 H CYS A 17 -6.278 -2.724 42.203 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.588 -0.704 43.408 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.240 -1.704 41.484 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.493 -1.132 40.401 1.00 0.00 H new ATOM 182 N ALA A 18 -6.116 1.103 42.347 1.00 0.00 N ATOM 183 CA ALA A 18 -7.208 2.031 42.080 1.00 0.00 C ATOM 184 C ALA A 18 -6.771 3.129 41.116 1.00 0.00 C ATOM 185 O ALA A 18 -7.375 4.202 41.066 1.00 0.00 O ATOM 186 CB ALA A 18 -7.715 2.638 43.380 1.00 0.00 C ATOM 0 H ALA A 18 -5.259 1.545 42.680 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.019 1.474 41.612 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.530 3.329 43.165 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.075 1.845 44.036 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.904 3.175 43.871 1.00 0.00 H new ATOM 192 N THR A 19 -5.718 2.856 40.352 1.00 0.00 N ATOM 193 CA THR A 19 -5.200 3.821 39.391 1.00 0.00 C ATOM 194 C THR A 19 -5.744 3.551 37.993 1.00 0.00 C ATOM 195 O THR A 19 -5.384 2.560 37.355 1.00 0.00 O ATOM 196 CB THR A 19 -3.661 3.797 39.345 1.00 0.00 C ATOM 197 OG1 THR A 19 -3.126 4.354 40.550 1.00 0.00 O ATOM 198 CG2 THR A 19 -3.143 4.576 38.145 1.00 0.00 C ATOM 0 H THR A 19 -5.207 1.974 40.380 1.00 0.00 H new ATOM 0 HA THR A 19 -5.530 4.806 39.722 1.00 0.00 H new ATOM 0 HB THR A 19 -3.338 2.760 39.251 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.147 4.333 40.513 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.054 4.545 38.134 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.528 4.130 37.228 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.476 5.612 38.212 1.00 0.00 H new ATOM 206 N THR A 20 -6.613 4.438 37.519 1.00 0.00 N ATOM 207 CA THR A 20 -7.207 4.295 36.195 1.00 0.00 C ATOM 208 C THR A 20 -6.860 5.483 35.306 1.00 0.00 C ATOM 209 O THR A 20 -6.351 5.313 34.197 1.00 0.00 O ATOM 210 CB THR A 20 -8.739 4.161 36.279 1.00 0.00 C ATOM 211 OG1 THR A 20 -9.306 5.354 36.830 1.00 0.00 O ATOM 212 CG2 THR A 20 -9.132 2.965 37.133 1.00 0.00 C ATOM 0 H THR A 20 -6.921 5.264 38.032 1.00 0.00 H new ATOM 0 HA THR A 20 -6.793 3.386 35.759 1.00 0.00 H new ATOM 0 HB THR A 20 -9.124 4.009 35.271 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.280 5.261 36.878 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.219 2.891 37.178 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.724 2.055 36.694 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.735 3.091 38.140 1.00 0.00 H new ATOM 220 N TYR A 21 -7.137 6.685 35.797 1.00 0.00 N ATOM 221 CA TYR A 21 -6.855 7.902 35.045 1.00 0.00 C ATOM 222 C TYR A 21 -6.664 9.090 35.983 1.00 0.00 C ATOM 223 O TYR A 21 -5.561 9.618 36.117 1.00 0.00 O ATOM 224 CB TYR A 21 -7.990 8.193 34.061 1.00 0.00 C ATOM 225 CG TYR A 21 -7.753 9.420 33.210 1.00 0.00 C ATOM 226 CD1 TYR A 21 -6.532 9.628 32.581 1.00 0.00 C ATOM 227 CD2 TYR A 21 -8.752 10.369 33.033 1.00 0.00 C ATOM 228 CE1 TYR A 21 -6.312 10.748 31.803 1.00 0.00 C ATOM 229 CE2 TYR A 21 -8.541 11.491 32.255 1.00 0.00 C ATOM 230 CZ TYR A 21 -7.319 11.677 31.642 1.00 0.00 C ATOM 231 OH TYR A 21 -7.104 12.793 30.867 1.00 0.00 O ATOM 0 H TYR A 21 -7.557 6.843 36.713 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.930 7.749 34.489 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.125 7.330 33.409 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.918 8.321 34.618 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.742 8.902 32.702 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.710 10.227 33.512 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.356 10.896 31.323 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.329 12.219 32.127 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.914 13.345 30.856 1.00 0.00 H new ATOM 241 N ASN A 22 -7.748 9.505 36.631 1.00 0.00 N ATOM 242 CA ASN A 22 -7.700 10.630 37.558 1.00 0.00 C ATOM 243 C ASN A 22 -7.505 11.944 36.808 1.00 0.00 C ATOM 244 O ASN A 22 -7.275 11.954 35.598 1.00 0.00 O ATOM 245 CB ASN A 22 -6.571 10.436 38.572 1.00 0.00 C ATOM 246 CG ASN A 22 -7.014 10.726 39.993 1.00 0.00 C ATOM 247 OD1 ASN A 22 -8.084 10.293 40.422 1.00 0.00 O ATOM 248 ND2 ASN A 22 -6.192 11.463 40.730 1.00 0.00 N ATOM 0 H ASN A 22 -8.670 9.079 36.531 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.651 10.672 38.088 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.203 9.412 38.511 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.738 11.090 38.314 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.437 11.692 41.693 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.315 11.801 40.333 1.00 0.00 H new ATOM 255 N LYS A 23 -7.597 13.053 37.534 1.00 0.00 N ATOM 256 CA LYS A 23 -7.428 14.374 36.939 1.00 0.00 C ATOM 257 C LYS A 23 -6.119 15.012 37.393 1.00 0.00 C ATOM 258 O LYS A 23 -5.469 15.728 36.631 1.00 0.00 O ATOM 259 CB LYS A 23 -8.605 15.278 37.314 1.00 0.00 C ATOM 260 CG LYS A 23 -8.699 16.535 36.466 1.00 0.00 C ATOM 261 CD LYS A 23 -10.048 17.216 36.627 1.00 0.00 C ATOM 262 CE LYS A 23 -11.195 16.245 36.386 1.00 0.00 C ATOM 263 NZ LYS A 23 -12.427 16.945 35.930 1.00 0.00 N ATOM 0 H LYS A 23 -7.788 13.063 38.536 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.398 14.256 35.856 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.532 14.713 37.216 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.514 15.563 38.362 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.905 17.226 36.749 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.541 16.281 35.418 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.128 17.634 37.630 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.122 18.049 35.928 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.897 15.510 35.639 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.407 15.698 37.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.185 16.250 35.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.726 17.629 36.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.232 17.446 35.040 1.00 0.00 H new ATOM 277 N HIS A 24 -5.736 14.746 38.638 1.00 0.00 N ATOM 278 CA HIS A 24 -4.503 15.292 39.192 1.00 0.00 C ATOM 279 C HIS A 24 -3.508 14.179 39.505 1.00 0.00 C ATOM 280 O HIS A 24 -3.090 14.011 40.651 1.00 0.00 O ATOM 281 CB HIS A 24 -4.800 16.097 40.457 1.00 0.00 C ATOM 282 CG HIS A 24 -5.379 15.276 41.568 1.00 0.00 C ATOM 283 ND1 HIS A 24 -4.607 14.669 42.536 1.00 0.00 N ATOM 284 CD2 HIS A 24 -6.662 14.963 41.862 1.00 0.00 C ATOM 285 CE1 HIS A 24 -5.390 14.018 43.377 1.00 0.00 C ATOM 286 NE2 HIS A 24 -6.643 14.180 42.990 1.00 0.00 N ATOM 0 H HIS A 24 -6.262 14.155 39.282 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.060 15.952 38.446 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.879 16.565 40.804 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -5.493 16.901 40.211 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -3.590 14.716 42.594 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -7.538 15.272 41.312 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -5.062 13.450 44.235 1.00 0.00 H new ATOM 294 N ILE A 25 -3.133 13.422 38.480 1.00 0.00 N ATOM 295 CA ILE A 25 -2.187 12.325 38.646 1.00 0.00 C ATOM 296 C ILE A 25 -0.858 12.637 37.966 1.00 0.00 C ATOM 297 O ILE A 25 -0.817 13.331 36.951 1.00 0.00 O ATOM 298 CB ILE A 25 -2.746 11.008 38.076 1.00 0.00 C ATOM 299 CG1 ILE A 25 -3.246 10.109 39.209 1.00 0.00 C ATOM 300 CG2 ILE A 25 -1.683 10.293 37.255 1.00 0.00 C ATOM 301 CD1 ILE A 25 -3.383 8.656 38.811 1.00 0.00 C ATOM 0 H ILE A 25 -3.470 13.548 37.525 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.025 12.208 39.718 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.587 11.239 37.423 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.558 10.183 40.051 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.213 10.476 39.553 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.093 9.364 36.859 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.370 10.932 36.430 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.824 10.070 37.888 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.742 8.078 39.663 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.093 8.569 37.989 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.413 8.272 38.495 1.00 0.00 H new ATOM 313 N ASN A 26 0.226 12.118 38.532 1.00 0.00 N ATOM 314 CA ASN A 26 1.557 12.340 37.979 1.00 0.00 C ATOM 315 C ASN A 26 2.267 11.014 37.720 1.00 0.00 C ATOM 316 O ASN A 26 3.309 10.974 37.064 1.00 0.00 O ATOM 317 CB ASN A 26 2.391 13.200 38.931 1.00 0.00 C ATOM 318 CG ASN A 26 1.613 13.616 40.165 1.00 0.00 C ATOM 319 OD1 ASN A 26 1.738 13.005 41.226 1.00 0.00 O ATOM 320 ND2 ASN A 26 0.805 14.661 40.029 1.00 0.00 N ATOM 0 H ASN A 26 0.209 11.541 39.373 1.00 0.00 H new ATOM 0 HA ASN A 26 1.446 12.864 37.030 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.279 12.645 39.234 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.736 14.090 38.405 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.256 14.988 40.824 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.734 15.137 39.130 1.00 0.00 H new ATOM 327 N ILE A 27 1.695 9.932 38.238 1.00 0.00 N ATOM 328 CA ILE A 27 2.272 8.605 38.061 1.00 0.00 C ATOM 329 C ILE A 27 2.611 8.344 36.597 1.00 0.00 C ATOM 330 O ILE A 27 1.902 8.790 35.696 1.00 0.00 O ATOM 331 CB ILE A 27 1.316 7.505 38.558 1.00 0.00 C ATOM 332 CG1 ILE A 27 1.495 7.285 40.062 1.00 0.00 C ATOM 333 CG2 ILE A 27 1.554 6.211 37.795 1.00 0.00 C ATOM 334 CD1 ILE A 27 0.454 6.370 40.667 1.00 0.00 C ATOM 0 H ILE A 27 0.833 9.948 38.783 1.00 0.00 H new ATOM 0 HA ILE A 27 3.186 8.577 38.654 1.00 0.00 H new ATOM 0 HB ILE A 27 0.290 7.826 38.377 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.485 6.867 40.244 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.458 8.249 40.569 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.870 5.444 38.158 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.380 6.378 36.732 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.582 5.883 37.947 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.643 6.260 41.735 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.537 6.797 40.516 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.505 5.393 40.187 1.00 0.00 H new ATOM 346 N SER A 28 3.701 7.618 36.369 1.00 0.00 N ATOM 347 CA SER A 28 4.137 7.298 35.015 1.00 0.00 C ATOM 348 C SER A 28 3.474 6.017 34.519 1.00 0.00 C ATOM 349 O SER A 28 2.636 5.432 35.206 1.00 0.00 O ATOM 350 CB SER A 28 5.659 7.150 34.967 1.00 0.00 C ATOM 351 OG SER A 28 6.244 7.496 36.211 1.00 0.00 O ATOM 0 H SER A 28 4.298 7.240 37.105 1.00 0.00 H new ATOM 0 HA SER A 28 3.839 8.118 34.361 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.920 6.123 34.712 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.065 7.787 34.181 1.00 0.00 H new ATOM 0 HG SER A 28 7.217 7.392 36.155 1.00 0.00 H new ATOM 357 N PHE A 29 3.855 5.586 33.321 1.00 0.00 N ATOM 358 CA PHE A 29 3.298 4.374 32.731 1.00 0.00 C ATOM 359 C PHE A 29 4.406 3.458 32.221 1.00 0.00 C ATOM 360 O PHE A 29 5.048 3.745 31.209 1.00 0.00 O ATOM 361 CB PHE A 29 2.347 4.730 31.586 1.00 0.00 C ATOM 362 CG PHE A 29 1.066 5.365 32.046 1.00 0.00 C ATOM 363 CD1 PHE A 29 1.070 6.626 32.619 1.00 0.00 C ATOM 364 CD2 PHE A 29 -0.141 4.701 31.905 1.00 0.00 C ATOM 365 CE1 PHE A 29 -0.108 7.214 33.043 1.00 0.00 C ATOM 366 CE2 PHE A 29 -1.322 5.283 32.326 1.00 0.00 C ATOM 367 CZ PHE A 29 -1.305 6.541 32.897 1.00 0.00 C ATOM 0 H PHE A 29 4.547 6.058 32.740 1.00 0.00 H new ATOM 0 HA PHE A 29 2.742 3.845 33.505 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.854 5.409 30.901 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.114 3.826 31.024 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.004 7.156 32.736 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.160 3.717 31.461 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.092 8.198 33.488 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.257 4.755 32.209 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.226 6.997 33.229 1.00 0.00 H new ATOM 377 N HIS A 30 4.627 2.355 32.929 1.00 0.00 N ATOM 378 CA HIS A 30 5.658 1.396 32.549 1.00 0.00 C ATOM 379 C HIS A 30 5.036 0.068 32.129 1.00 0.00 C ATOM 380 O HIS A 30 4.642 -0.738 32.973 1.00 0.00 O ATOM 381 CB HIS A 30 6.630 1.174 33.708 1.00 0.00 C ATOM 382 CG HIS A 30 7.388 2.405 34.099 1.00 0.00 C ATOM 383 ND1 HIS A 30 8.492 2.860 33.409 1.00 0.00 N ATOM 384 CD2 HIS A 30 7.195 3.279 35.114 1.00 0.00 C ATOM 385 CE1 HIS A 30 8.946 3.960 33.983 1.00 0.00 C ATOM 386 NE2 HIS A 30 8.176 4.236 35.020 1.00 0.00 N ATOM 0 H HIS A 30 4.106 2.103 33.769 1.00 0.00 H new ATOM 0 HA HIS A 30 6.205 1.805 31.700 1.00 0.00 H new ATOM 0 HB2 HIS A 30 6.075 0.810 34.572 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.339 0.393 33.432 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.415 3.233 35.859 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.801 4.535 33.659 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.291 5.031 35.649 1.00 0.00 H new ATOM 394 N ARG A 31 4.951 -0.153 30.822 1.00 0.00 N ATOM 395 CA ARG A 31 4.375 -1.383 30.291 1.00 0.00 C ATOM 396 C ARG A 31 5.147 -2.603 30.785 1.00 0.00 C ATOM 397 O ARG A 31 6.113 -2.476 31.538 1.00 0.00 O ATOM 398 CB ARG A 31 4.374 -1.352 28.761 1.00 0.00 C ATOM 399 CG ARG A 31 5.766 -1.386 28.151 1.00 0.00 C ATOM 400 CD ARG A 31 6.257 0.011 27.804 1.00 0.00 C ATOM 401 NE ARG A 31 6.866 0.063 26.478 1.00 0.00 N ATOM 402 CZ ARG A 31 6.178 -0.060 25.348 1.00 0.00 C ATOM 403 NH1 ARG A 31 4.866 -0.242 25.383 1.00 0.00 N ATOM 404 NH2 ARG A 31 6.804 -0.002 24.179 1.00 0.00 N ATOM 0 H ARG A 31 5.273 0.503 30.111 1.00 0.00 H new ATOM 0 HA ARG A 31 3.347 -1.456 30.647 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.802 -2.202 28.389 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.861 -0.451 28.424 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.459 -1.853 28.850 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.756 -2.003 27.252 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.422 0.710 27.847 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.983 0.336 28.549 1.00 0.00 H new ATOM 0 HE ARG A 31 7.875 0.201 26.416 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.381 -0.288 26.279 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.341 -0.336 24.514 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.814 0.137 24.148 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.275 -0.097 23.312 1.00 0.00 H new ATOM 418 N PHE A 32 4.715 -3.784 30.356 1.00 0.00 N ATOM 419 CA PHE A 32 5.365 -5.027 30.756 1.00 0.00 C ATOM 420 C PHE A 32 6.686 -5.213 30.015 1.00 0.00 C ATOM 421 O PHE A 32 6.887 -4.701 28.914 1.00 0.00 O ATOM 422 CB PHE A 32 4.444 -6.218 30.485 1.00 0.00 C ATOM 423 CG PHE A 32 3.273 -6.296 31.423 1.00 0.00 C ATOM 424 CD1 PHE A 32 2.374 -5.247 31.518 1.00 0.00 C ATOM 425 CD2 PHE A 32 3.072 -7.420 32.209 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.296 -5.316 32.381 1.00 0.00 C ATOM 427 CE2 PHE A 32 1.996 -7.495 33.073 1.00 0.00 C ATOM 428 CZ PHE A 32 1.107 -6.442 33.159 1.00 0.00 C ATOM 0 H PHE A 32 3.918 -3.907 29.732 1.00 0.00 H new ATOM 0 HA PHE A 32 5.573 -4.972 31.825 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.076 -6.157 29.461 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.022 -7.139 30.561 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.517 -4.365 30.911 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.764 -8.247 32.145 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.603 -4.491 32.447 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.851 -8.376 33.680 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.265 -6.498 33.833 1.00 0.00 H new ATOM 438 N PRO A 33 7.610 -5.962 30.635 1.00 0.00 N ATOM 439 CA PRO A 33 8.928 -6.233 30.054 1.00 0.00 C ATOM 440 C PRO A 33 8.850 -7.156 28.842 1.00 0.00 C ATOM 441 O PRO A 33 8.136 -8.160 28.860 1.00 0.00 O ATOM 442 CB PRO A 33 9.686 -6.913 31.196 1.00 0.00 C ATOM 443 CG PRO A 33 8.625 -7.523 32.045 1.00 0.00 C ATOM 444 CD PRO A 33 7.439 -6.603 31.949 1.00 0.00 C ATOM 0 HA PRO A 33 9.406 -5.324 29.688 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.375 -7.669 30.819 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.280 -6.194 31.760 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.372 -8.524 31.695 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.960 -7.622 33.078 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.499 -7.152 32.009 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.433 -5.870 32.756 1.00 0.00 H new ATOM 452 N LEU A 34 9.586 -6.811 27.792 1.00 0.00 N ATOM 453 CA LEU A 34 9.600 -7.610 26.572 1.00 0.00 C ATOM 454 C LEU A 34 10.303 -8.944 26.802 1.00 0.00 C ATOM 455 O LEU A 34 10.141 -9.884 26.024 1.00 0.00 O ATOM 456 CB LEU A 34 10.294 -6.843 25.445 1.00 0.00 C ATOM 457 CG LEU A 34 9.869 -5.385 25.264 1.00 0.00 C ATOM 458 CD1 LEU A 34 8.469 -5.165 25.816 1.00 0.00 C ATOM 459 CD2 LEU A 34 10.864 -4.452 25.938 1.00 0.00 C ATOM 0 H LEU A 34 10.181 -5.983 27.761 1.00 0.00 H new ATOM 0 HA LEU A 34 8.567 -7.809 26.286 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.369 -6.868 25.624 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.115 -7.372 24.509 1.00 0.00 H new ATOM 0 HG LEU A 34 9.856 -5.160 24.198 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.183 -4.122 25.679 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.764 -5.807 25.287 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.454 -5.408 26.878 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.546 -3.419 25.799 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.910 -4.677 27.003 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.850 -4.590 25.495 1.00 0.00 H new ATOM 471 N ASP A 35 11.081 -9.019 27.876 1.00 0.00 N ATOM 472 CA ASP A 35 11.806 -10.240 28.211 1.00 0.00 C ATOM 473 C ASP A 35 10.871 -11.274 28.830 1.00 0.00 C ATOM 474 O ASP A 35 9.942 -10.945 29.568 1.00 0.00 O ATOM 475 CB ASP A 35 12.953 -9.929 29.174 1.00 0.00 C ATOM 476 CG ASP A 35 14.243 -10.621 28.781 1.00 0.00 C ATOM 477 OD1 ASP A 35 14.458 -10.830 27.568 1.00 0.00 O ATOM 478 OD2 ASP A 35 15.038 -10.952 29.685 1.00 0.00 O ATOM 0 H ASP A 35 11.226 -8.249 28.530 1.00 0.00 H new ATOM 0 HA ASP A 35 12.217 -10.654 27.290 1.00 0.00 H new ATOM 0 HB2 ASP A 35 13.117 -8.852 29.204 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.671 -10.237 30.181 1.00 0.00 H new ATOM 483 N PRO A 36 11.120 -12.556 28.523 1.00 0.00 N ATOM 484 CA PRO A 36 10.312 -13.665 29.038 1.00 0.00 C ATOM 485 C PRO A 36 10.512 -13.882 30.534 1.00 0.00 C ATOM 486 O PRO A 36 9.573 -14.219 31.255 1.00 0.00 O ATOM 487 CB PRO A 36 10.822 -14.873 28.249 1.00 0.00 C ATOM 488 CG PRO A 36 12.214 -14.510 27.860 1.00 0.00 C ATOM 489 CD PRO A 36 12.210 -13.021 27.650 1.00 0.00 C ATOM 0 HA PRO A 36 9.244 -13.481 28.918 1.00 0.00 H new ATOM 0 HB2 PRO A 36 10.804 -15.779 28.855 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.203 -15.064 27.372 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.923 -14.792 28.638 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.514 -15.032 26.951 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.165 -12.574 27.926 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.027 -12.763 26.607 1.00 0.00 H new ATOM 497 N LYS A 37 11.743 -13.687 30.996 1.00 0.00 N ATOM 498 CA LYS A 37 12.067 -13.860 32.407 1.00 0.00 C ATOM 499 C LYS A 37 11.203 -12.954 33.279 1.00 0.00 C ATOM 500 O LYS A 37 10.658 -13.389 34.293 1.00 0.00 O ATOM 501 CB LYS A 37 13.548 -13.559 32.651 1.00 0.00 C ATOM 502 CG LYS A 37 14.486 -14.582 32.034 1.00 0.00 C ATOM 503 CD LYS A 37 15.032 -14.103 30.699 1.00 0.00 C ATOM 504 CE LYS A 37 16.514 -14.414 30.559 1.00 0.00 C ATOM 505 NZ LYS A 37 17.079 -13.868 29.294 1.00 0.00 N ATOM 0 H LYS A 37 12.533 -13.409 30.413 1.00 0.00 H new ATOM 0 HA LYS A 37 11.863 -14.896 32.677 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.781 -12.574 32.247 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.729 -13.514 33.725 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.312 -14.778 32.717 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.957 -15.525 31.895 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.481 -14.579 29.888 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.874 -13.029 30.605 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.054 -13.996 31.408 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.663 -15.493 30.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.091 -14.101 29.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.581 -14.286 28.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.961 -12.835 29.278 1.00 0.00 H new ATOM 519 N ARG A 38 11.082 -11.693 32.876 1.00 0.00 N ATOM 520 CA ARG A 38 10.284 -10.727 33.621 1.00 0.00 C ATOM 521 C ARG A 38 8.823 -10.776 33.184 1.00 0.00 C ATOM 522 O ARG A 38 7.917 -10.834 34.015 1.00 0.00 O ATOM 523 CB ARG A 38 10.839 -9.315 33.424 1.00 0.00 C ATOM 524 CG ARG A 38 12.355 -9.240 33.506 1.00 0.00 C ATOM 525 CD ARG A 38 12.842 -9.345 34.943 1.00 0.00 C ATOM 526 NE ARG A 38 12.887 -10.730 35.405 1.00 0.00 N ATOM 527 CZ ARG A 38 13.565 -11.125 36.477 1.00 0.00 C ATOM 528 NH1 ARG A 38 14.250 -10.245 37.194 1.00 0.00 N ATOM 529 NH2 ARG A 38 13.557 -12.403 36.834 1.00 0.00 N ATOM 0 H ARG A 38 11.526 -11.317 32.038 1.00 0.00 H new ATOM 0 HA ARG A 38 10.338 -10.987 34.678 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.517 -8.939 32.453 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.410 -8.656 34.179 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.793 -10.043 32.913 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.698 -8.301 33.072 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.836 -8.904 35.022 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.184 -8.767 35.592 1.00 0.00 H new ATOM 0 HE ARG A 38 12.370 -11.432 34.876 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.257 -9.262 36.923 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.770 -10.551 38.017 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.030 -13.083 36.285 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.078 -12.706 37.657 1.00 0.00 H new ATOM 543 N ARG A 39 8.602 -10.751 31.873 1.00 0.00 N ATOM 544 CA ARG A 39 7.251 -10.791 31.325 1.00 0.00 C ATOM 545 C ARG A 39 6.360 -11.722 32.143 1.00 0.00 C ATOM 546 O ARG A 39 5.308 -11.316 32.637 1.00 0.00 O ATOM 547 CB ARG A 39 7.283 -11.249 29.866 1.00 0.00 C ATOM 548 CG ARG A 39 5.904 -11.463 29.265 1.00 0.00 C ATOM 549 CD ARG A 39 5.886 -12.658 28.324 1.00 0.00 C ATOM 550 NE ARG A 39 5.429 -12.294 26.986 1.00 0.00 N ATOM 551 CZ ARG A 39 6.178 -11.639 26.106 1.00 0.00 C ATOM 552 NH1 ARG A 39 7.414 -11.278 26.422 1.00 0.00 N ATOM 553 NH2 ARG A 39 5.691 -11.344 24.907 1.00 0.00 N ATOM 0 H ARG A 39 9.341 -10.703 31.171 1.00 0.00 H new ATOM 0 HA ARG A 39 6.836 -9.784 31.373 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.818 -10.507 29.273 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.848 -12.179 29.798 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.178 -11.616 30.063 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.599 -10.568 28.724 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.887 -13.085 28.261 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.234 -13.431 28.732 1.00 0.00 H new ATOM 0 HE ARG A 39 4.482 -12.557 26.712 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.792 -11.503 27.342 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.987 -10.775 25.745 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.741 -11.620 24.660 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.267 -10.841 24.232 1.00 0.00 H new ATOM 567 N LYS A 40 6.788 -12.972 32.279 1.00 0.00 N ATOM 568 CA LYS A 40 6.031 -13.962 33.037 1.00 0.00 C ATOM 569 C LYS A 40 5.922 -13.558 34.503 1.00 0.00 C ATOM 570 O LYS A 40 4.876 -13.731 35.128 1.00 0.00 O ATOM 571 CB LYS A 40 6.693 -15.337 32.923 1.00 0.00 C ATOM 572 CG LYS A 40 6.837 -15.826 31.493 1.00 0.00 C ATOM 573 CD LYS A 40 5.594 -15.526 30.673 1.00 0.00 C ATOM 574 CE LYS A 40 4.370 -16.230 31.238 1.00 0.00 C ATOM 575 NZ LYS A 40 3.456 -16.705 30.162 1.00 0.00 N ATOM 0 H LYS A 40 7.655 -13.324 31.874 1.00 0.00 H new ATOM 0 HA LYS A 40 5.026 -14.014 32.618 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.679 -15.295 33.385 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.107 -16.061 33.488 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.702 -15.351 31.031 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.024 -16.900 31.492 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.420 -14.450 30.655 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.752 -15.841 29.642 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.687 -17.078 31.845 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.832 -15.549 31.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.634 -17.179 30.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.133 -15.893 29.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.962 -17.375 29.548 1.00 0.00 H new ATOM 589 N GLU A 41 7.008 -13.017 35.046 1.00 0.00 N ATOM 590 CA GLU A 41 7.033 -12.588 36.440 1.00 0.00 C ATOM 591 C GLU A 41 5.955 -11.541 36.705 1.00 0.00 C ATOM 592 O GLU A 41 5.054 -11.754 37.517 1.00 0.00 O ATOM 593 CB GLU A 41 8.409 -12.023 36.798 1.00 0.00 C ATOM 594 CG GLU A 41 9.405 -13.081 37.241 1.00 0.00 C ATOM 595 CD GLU A 41 9.091 -14.451 36.673 1.00 0.00 C ATOM 596 OE1 GLU A 41 8.896 -14.555 35.444 1.00 0.00 O ATOM 597 OE2 GLU A 41 9.041 -15.421 37.459 1.00 0.00 O ATOM 0 H GLU A 41 7.882 -12.865 34.542 1.00 0.00 H new ATOM 0 HA GLU A 41 6.832 -13.458 37.066 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.812 -11.496 35.933 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.294 -11.288 37.594 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.407 -12.784 36.931 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.411 -13.136 38.330 1.00 0.00 H new ATOM 604 N TRP A 42 6.056 -10.410 36.017 1.00 0.00 N ATOM 605 CA TRP A 42 5.090 -9.329 36.179 1.00 0.00 C ATOM 606 C TRP A 42 3.672 -9.877 36.287 1.00 0.00 C ATOM 607 O TRP A 42 2.895 -9.452 37.142 1.00 0.00 O ATOM 608 CB TRP A 42 5.185 -8.353 35.004 1.00 0.00 C ATOM 609 CG TRP A 42 6.372 -7.442 35.083 1.00 0.00 C ATOM 610 CD1 TRP A 42 7.678 -7.809 35.245 1.00 0.00 C ATOM 611 CD2 TRP A 42 6.362 -6.012 35.006 1.00 0.00 C ATOM 612 NE1 TRP A 42 8.480 -6.693 35.273 1.00 0.00 N ATOM 613 CE2 TRP A 42 7.697 -5.579 35.127 1.00 0.00 C ATOM 614 CE3 TRP A 42 5.356 -5.056 34.843 1.00 0.00 C ATOM 615 CZ2 TRP A 42 8.048 -4.232 35.092 1.00 0.00 C ATOM 616 CZ3 TRP A 42 5.706 -3.720 34.809 1.00 0.00 C ATOM 617 CH2 TRP A 42 7.042 -3.318 34.932 1.00 0.00 C ATOM 0 H TRP A 42 6.796 -10.217 35.342 1.00 0.00 H new ATOM 0 HA TRP A 42 5.326 -8.800 37.102 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.232 -8.919 34.074 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.277 -7.752 34.966 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.029 -8.826 35.337 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.494 -6.694 35.384 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.323 -5.356 34.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.077 -3.920 35.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.936 -2.973 34.685 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.283 -2.266 34.900 1.00 0.00 H new ATOM 628 N VAL A 43 3.340 -10.824 35.415 1.00 0.00 N ATOM 629 CA VAL A 43 2.014 -11.431 35.414 1.00 0.00 C ATOM 630 C VAL A 43 1.843 -12.377 36.598 1.00 0.00 C ATOM 631 O VAL A 43 0.731 -12.582 37.086 1.00 0.00 O ATOM 632 CB VAL A 43 1.753 -12.206 34.110 1.00 0.00 C ATOM 633 CG1 VAL A 43 0.301 -12.654 34.036 1.00 0.00 C ATOM 634 CG2 VAL A 43 2.119 -11.356 32.903 1.00 0.00 C ATOM 0 H VAL A 43 3.971 -11.187 34.700 1.00 0.00 H new ATOM 0 HA VAL A 43 1.293 -10.618 35.495 1.00 0.00 H new ATOM 0 HB VAL A 43 2.383 -13.095 34.104 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.136 -13.200 33.107 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.077 -13.302 34.883 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.351 -11.781 34.065 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.928 -11.920 31.990 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.516 -10.448 32.901 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.175 -11.091 32.952 1.00 0.00 H new ATOM 644 N ARG A 44 2.951 -12.951 37.055 1.00 0.00 N ATOM 645 CA ARG A 44 2.923 -13.877 38.181 1.00 0.00 C ATOM 646 C ARG A 44 2.820 -13.121 39.503 1.00 0.00 C ATOM 647 O ARG A 44 2.306 -13.646 40.492 1.00 0.00 O ATOM 648 CB ARG A 44 4.176 -14.754 38.179 1.00 0.00 C ATOM 649 CG ARG A 44 4.808 -14.917 39.552 1.00 0.00 C ATOM 650 CD ARG A 44 3.909 -15.708 40.488 1.00 0.00 C ATOM 651 NE ARG A 44 3.839 -15.107 41.817 1.00 0.00 N ATOM 652 CZ ARG A 44 4.899 -14.920 42.596 1.00 0.00 C ATOM 653 NH1 ARG A 44 6.104 -15.285 42.180 1.00 0.00 N ATOM 654 NH2 ARG A 44 4.754 -14.367 43.793 1.00 0.00 N ATOM 0 H ARG A 44 3.879 -12.791 36.663 1.00 0.00 H new ATOM 0 HA ARG A 44 2.044 -14.512 38.075 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.920 -15.738 37.787 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.910 -14.322 37.499 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.768 -15.423 39.454 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.008 -13.935 39.981 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.907 -15.767 40.064 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.281 -16.729 40.571 1.00 0.00 H new ATOM 0 HE ARG A 44 2.926 -14.815 42.166 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.219 -15.710 41.260 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.916 -15.140 42.780 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.828 -14.085 44.116 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.568 -14.224 44.391 1.00 0.00 H new ATOM 668 N LEU A 45 3.313 -11.888 39.513 1.00 0.00 N ATOM 669 CA LEU A 45 3.278 -11.060 40.714 1.00 0.00 C ATOM 670 C LEU A 45 1.912 -10.400 40.880 1.00 0.00 C ATOM 671 O LEU A 45 1.333 -10.414 41.966 1.00 0.00 O ATOM 672 CB LEU A 45 4.369 -9.990 40.652 1.00 0.00 C ATOM 673 CG LEU A 45 5.793 -10.466 40.939 1.00 0.00 C ATOM 674 CD1 LEU A 45 6.799 -9.655 40.137 1.00 0.00 C ATOM 675 CD2 LEU A 45 6.097 -10.374 42.427 1.00 0.00 C ATOM 0 H LEU A 45 3.742 -11.439 38.704 1.00 0.00 H new ATOM 0 HA LEU A 45 3.458 -11.704 41.575 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.351 -9.539 39.660 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.120 -9.204 41.364 1.00 0.00 H new ATOM 0 HG LEU A 45 5.874 -11.510 40.636 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.807 -10.008 40.354 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.595 -9.772 39.073 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.717 -8.603 40.408 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.115 -10.717 42.612 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.997 -9.339 42.755 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.397 -11.000 42.981 1.00 0.00 H new ATOM 687 N VAL A 46 1.402 -9.826 39.796 1.00 0.00 N ATOM 688 CA VAL A 46 0.103 -9.164 39.820 1.00 0.00 C ATOM 689 C VAL A 46 -0.992 -10.121 40.278 1.00 0.00 C ATOM 690 O VAL A 46 -2.036 -9.694 40.772 1.00 0.00 O ATOM 691 CB VAL A 46 -0.268 -8.603 38.434 1.00 0.00 C ATOM 692 CG1 VAL A 46 -0.151 -9.685 37.371 1.00 0.00 C ATOM 693 CG2 VAL A 46 -1.670 -8.015 38.456 1.00 0.00 C ATOM 0 H VAL A 46 1.869 -9.806 38.889 1.00 0.00 H new ATOM 0 HA VAL A 46 0.181 -8.339 40.528 1.00 0.00 H new ATOM 0 HB VAL A 46 0.432 -7.805 38.185 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.417 -9.270 36.399 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.874 -10.055 37.340 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.826 -10.506 37.612 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.916 -7.623 37.469 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.386 -8.791 38.727 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.715 -7.209 39.188 1.00 0.00 H new ATOM 703 N ARG A 47 -0.747 -11.416 40.112 1.00 0.00 N ATOM 704 CA ARG A 47 -1.712 -12.434 40.508 1.00 0.00 C ATOM 705 C ARG A 47 -2.973 -12.350 39.652 1.00 0.00 C ATOM 706 O ARG A 47 -4.038 -11.963 40.134 1.00 0.00 O ATOM 707 CB ARG A 47 -2.075 -12.276 41.986 1.00 0.00 C ATOM 708 CG ARG A 47 -1.380 -13.277 42.894 1.00 0.00 C ATOM 709 CD ARG A 47 -2.292 -13.732 44.022 1.00 0.00 C ATOM 710 NE ARG A 47 -2.911 -15.025 43.738 1.00 0.00 N ATOM 711 CZ ARG A 47 -2.258 -16.180 43.796 1.00 0.00 C ATOM 712 NH1 ARG A 47 -0.975 -16.205 44.127 1.00 0.00 N ATOM 713 NH2 ARG A 47 -2.890 -17.315 43.524 1.00 0.00 N ATOM 0 H ARG A 47 0.112 -11.785 39.706 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.254 -13.411 40.356 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.819 -11.267 42.308 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.154 -12.383 42.100 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.063 -14.141 42.310 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.479 -12.827 43.312 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.719 -13.800 44.947 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.070 -12.985 44.183 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.898 -15.041 43.481 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.486 -15.335 44.338 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.477 -17.094 44.171 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.878 -17.301 43.270 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.388 -18.202 43.569 1.00 0.00 H new ATOM 727 N ARG A 48 -2.844 -12.715 38.381 1.00 0.00 N ATOM 728 CA ARG A 48 -3.971 -12.679 37.457 1.00 0.00 C ATOM 729 C ARG A 48 -4.132 -14.017 36.743 1.00 0.00 C ATOM 730 O ARG A 48 -3.215 -14.838 36.725 1.00 0.00 O ATOM 731 CB ARG A 48 -3.782 -11.560 36.431 1.00 0.00 C ATOM 732 CG ARG A 48 -4.071 -10.173 36.981 1.00 0.00 C ATOM 733 CD ARG A 48 -5.495 -9.737 36.673 1.00 0.00 C ATOM 734 NE ARG A 48 -6.443 -10.218 37.676 1.00 0.00 N ATOM 735 CZ ARG A 48 -7.736 -9.916 37.668 1.00 0.00 C ATOM 736 NH1 ARG A 48 -8.234 -9.141 36.714 1.00 0.00 N ATOM 737 NH2 ARG A 48 -8.535 -10.392 38.614 1.00 0.00 N ATOM 0 H ARG A 48 -1.970 -13.039 37.967 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.875 -12.484 38.034 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.757 -11.588 36.060 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.435 -11.747 35.578 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.913 -10.168 38.059 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.369 -9.457 36.553 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.539 -8.649 36.625 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.785 -10.111 35.691 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.092 -10.818 38.423 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.623 -8.775 35.984 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.228 -8.911 36.711 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.156 -10.990 39.348 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.528 -10.160 38.607 1.00 0.00 H new ATOM 751 N LYS A 49 -5.305 -14.232 36.155 1.00 0.00 N ATOM 752 CA LYS A 49 -5.587 -15.470 35.439 1.00 0.00 C ATOM 753 C LYS A 49 -4.594 -15.677 34.299 1.00 0.00 C ATOM 754 O LYS A 49 -3.463 -15.198 34.355 1.00 0.00 O ATOM 755 CB LYS A 49 -7.015 -15.450 34.888 1.00 0.00 C ATOM 756 CG LYS A 49 -8.045 -14.949 35.886 1.00 0.00 C ATOM 757 CD LYS A 49 -7.925 -15.668 37.219 1.00 0.00 C ATOM 758 CE LYS A 49 -7.112 -14.860 38.218 1.00 0.00 C ATOM 759 NZ LYS A 49 -7.562 -15.094 39.618 1.00 0.00 N ATOM 0 H LYS A 49 -6.076 -13.564 36.161 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.486 -16.298 36.141 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.044 -14.818 34.000 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.288 -16.457 34.572 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.916 -13.877 36.037 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.046 -15.095 35.481 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.920 -15.854 37.624 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.456 -16.640 37.068 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.058 -15.124 38.126 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.197 -13.799 37.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.983 -14.525 40.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.560 -14.819 39.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.457 -16.102 39.852 1.00 0.00 H new ATOM 773 N ASN A 50 -5.027 -16.394 33.267 1.00 0.00 N ATOM 774 CA ASN A 50 -4.176 -16.664 32.114 1.00 0.00 C ATOM 775 C ASN A 50 -4.094 -15.444 31.201 1.00 0.00 C ATOM 776 O ASN A 50 -4.309 -15.544 29.993 1.00 0.00 O ATOM 777 CB ASN A 50 -4.709 -17.865 31.331 1.00 0.00 C ATOM 778 CG ASN A 50 -3.607 -18.827 30.927 1.00 0.00 C ATOM 779 OD1 ASN A 50 -2.831 -19.286 31.765 1.00 0.00 O ATOM 780 ND2 ASN A 50 -3.535 -19.135 29.637 1.00 0.00 N ATOM 0 H ASN A 50 -5.961 -16.798 33.206 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.174 -16.891 32.478 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.445 -18.393 31.938 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -5.226 -17.513 30.438 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.815 -19.776 29.305 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -4.200 -18.730 28.978 1.00 0.00 H new ATOM 787 N PHE A 51 -3.780 -14.293 31.787 1.00 0.00 N ATOM 788 CA PHE A 51 -3.670 -13.053 31.027 1.00 0.00 C ATOM 789 C PHE A 51 -2.224 -12.797 30.612 1.00 0.00 C ATOM 790 O PHE A 51 -1.291 -13.070 31.368 1.00 0.00 O ATOM 791 CB PHE A 51 -4.192 -11.876 31.853 1.00 0.00 C ATOM 792 CG PHE A 51 -3.209 -10.746 31.974 1.00 0.00 C ATOM 793 CD1 PHE A 51 -2.931 -9.933 30.886 1.00 0.00 C ATOM 794 CD2 PHE A 51 -2.564 -10.496 33.174 1.00 0.00 C ATOM 795 CE1 PHE A 51 -2.027 -8.894 30.994 1.00 0.00 C ATOM 796 CE2 PHE A 51 -1.659 -9.458 33.288 1.00 0.00 C ATOM 797 CZ PHE A 51 -1.391 -8.655 32.197 1.00 0.00 C ATOM 0 H PHE A 51 -3.597 -14.193 32.786 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.276 -13.152 30.126 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.109 -11.502 31.398 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.452 -12.229 32.851 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.427 -10.114 29.944 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.771 -11.120 34.031 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.818 -8.269 30.139 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.162 -9.275 34.229 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.686 -7.842 32.284 1.00 0.00 H new ATOM 807 N VAL A 52 -2.046 -12.271 29.405 1.00 0.00 N ATOM 808 CA VAL A 52 -0.714 -11.977 28.888 1.00 0.00 C ATOM 809 C VAL A 52 -0.619 -10.534 28.404 1.00 0.00 C ATOM 810 O VAL A 52 -1.577 -9.965 27.880 1.00 0.00 O ATOM 811 CB VAL A 52 -0.341 -12.921 27.730 1.00 0.00 C ATOM 812 CG1 VAL A 52 0.195 -12.130 26.547 1.00 0.00 C ATOM 813 CG2 VAL A 52 0.674 -13.956 28.193 1.00 0.00 C ATOM 0 H VAL A 52 -2.807 -12.039 28.766 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.014 -12.128 29.710 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.241 -13.445 27.408 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.453 -12.814 25.739 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.567 -11.431 26.201 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.083 -11.577 26.852 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.927 -14.615 27.362 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.575 -13.451 28.543 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.249 -14.544 29.006 1.00 0.00 H new ATOM 823 N PRO A 53 0.564 -9.928 28.581 1.00 0.00 N ATOM 824 CA PRO A 53 0.813 -8.543 28.168 1.00 0.00 C ATOM 825 C PRO A 53 0.851 -8.389 26.651 1.00 0.00 C ATOM 826 O PRO A 53 0.448 -9.289 25.916 1.00 0.00 O ATOM 827 CB PRO A 53 2.186 -8.235 28.771 1.00 0.00 C ATOM 828 CG PRO A 53 2.848 -9.563 28.904 1.00 0.00 C ATOM 829 CD PRO A 53 1.749 -10.546 29.198 1.00 0.00 C ATOM 0 HA PRO A 53 0.024 -7.869 28.503 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.761 -7.569 28.127 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.092 -7.741 29.738 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.375 -9.830 27.988 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.587 -9.552 29.705 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.961 -11.525 28.769 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.615 -10.690 30.270 1.00 0.00 H new ATOM 837 N GLY A 54 1.338 -7.241 26.190 1.00 0.00 N ATOM 838 CA GLY A 54 1.419 -6.990 24.763 1.00 0.00 C ATOM 839 C GLY A 54 0.389 -5.984 24.291 1.00 0.00 C ATOM 840 O GLY A 54 0.074 -5.916 23.103 1.00 0.00 O ATOM 0 H GLY A 54 1.678 -6.481 26.779 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.417 -6.626 24.518 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.280 -7.927 24.224 1.00 0.00 H new ATOM 844 N LYS A 55 -0.141 -5.200 25.225 1.00 0.00 N ATOM 845 CA LYS A 55 -1.143 -4.192 24.900 1.00 0.00 C ATOM 846 C LYS A 55 -1.026 -2.989 25.830 1.00 0.00 C ATOM 847 O LYS A 55 0.033 -2.737 26.405 1.00 0.00 O ATOM 848 CB LYS A 55 -2.548 -4.791 24.996 1.00 0.00 C ATOM 849 CG LYS A 55 -3.470 -4.364 23.867 1.00 0.00 C ATOM 850 CD LYS A 55 -4.453 -5.464 23.503 1.00 0.00 C ATOM 851 CE LYS A 55 -5.678 -4.905 22.796 1.00 0.00 C ATOM 852 NZ LYS A 55 -5.404 -4.610 21.362 1.00 0.00 N ATOM 0 H LYS A 55 0.107 -5.244 26.213 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.967 -3.856 23.878 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.471 -5.878 24.999 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.994 -4.500 25.947 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.017 -3.469 24.162 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.877 -4.101 22.991 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.962 -6.194 22.860 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.762 -5.991 24.406 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.498 -5.620 22.870 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.003 -3.994 23.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.263 -4.231 20.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.639 -3.909 21.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.118 -5.484 20.876 1.00 0.00 H new ATOM 866 N HIS A 56 -2.122 -2.251 25.976 1.00 0.00 N ATOM 867 CA HIS A 56 -2.143 -1.075 26.839 1.00 0.00 C ATOM 868 C HIS A 56 -1.779 -1.448 28.273 1.00 0.00 C ATOM 869 O HIS A 56 -1.488 -0.580 29.097 1.00 0.00 O ATOM 870 CB HIS A 56 -3.522 -0.416 26.805 1.00 0.00 C ATOM 871 CG HIS A 56 -4.646 -1.387 26.618 1.00 0.00 C ATOM 872 ND1 HIS A 56 -4.713 -2.597 27.276 1.00 0.00 N ATOM 873 CD2 HIS A 56 -5.753 -1.321 25.841 1.00 0.00 C ATOM 874 CE1 HIS A 56 -5.811 -3.234 26.911 1.00 0.00 C ATOM 875 NE2 HIS A 56 -6.460 -2.481 26.041 1.00 0.00 N ATOM 0 H HIS A 56 -3.007 -2.446 25.508 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.402 -0.368 26.467 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.677 0.131 27.735 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -3.546 0.315 25.997 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -6.028 -0.508 25.186 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.125 -4.205 27.264 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -7.343 -2.722 25.591 1.00 0.00 H new ATOM 883 N THR A 57 -1.799 -2.745 28.566 1.00 0.00 N ATOM 884 CA THR A 57 -1.474 -3.232 29.900 1.00 0.00 C ATOM 885 C THR A 57 -0.244 -2.526 30.459 1.00 0.00 C ATOM 886 O THR A 57 0.860 -2.671 29.933 1.00 0.00 O ATOM 887 CB THR A 57 -1.222 -4.752 29.897 1.00 0.00 C ATOM 888 OG1 THR A 57 -1.836 -5.348 28.749 1.00 0.00 O ATOM 889 CG2 THR A 57 -1.771 -5.394 31.163 1.00 0.00 C ATOM 0 H THR A 57 -2.037 -3.477 27.896 1.00 0.00 H new ATOM 0 HA THR A 57 -2.334 -3.014 30.534 1.00 0.00 H new ATOM 0 HB THR A 57 -0.146 -4.920 29.861 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.670 -6.314 28.754 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.581 -6.467 31.138 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.281 -4.959 32.034 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.845 -5.217 31.225 1.00 0.00 H new ATOM 897 N PHE A 58 -0.441 -1.761 31.528 1.00 0.00 N ATOM 898 CA PHE A 58 0.654 -1.032 32.158 1.00 0.00 C ATOM 899 C PHE A 58 0.539 -1.087 33.679 1.00 0.00 C ATOM 900 O PHE A 58 -0.531 -1.361 34.223 1.00 0.00 O ATOM 901 CB PHE A 58 0.661 0.424 31.689 1.00 0.00 C ATOM 902 CG PHE A 58 0.242 1.399 32.752 1.00 0.00 C ATOM 903 CD1 PHE A 58 1.175 1.935 33.625 1.00 0.00 C ATOM 904 CD2 PHE A 58 -1.084 1.778 32.879 1.00 0.00 C ATOM 905 CE1 PHE A 58 0.793 2.833 34.604 1.00 0.00 C ATOM 906 CE2 PHE A 58 -1.472 2.676 33.856 1.00 0.00 C ATOM 907 CZ PHE A 58 -0.532 3.203 34.720 1.00 0.00 C ATOM 0 H PHE A 58 -1.348 -1.630 31.976 1.00 0.00 H new ATOM 0 HA PHE A 58 1.590 -1.506 31.864 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.663 0.682 31.346 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.005 0.524 30.832 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.213 1.648 33.540 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.823 1.367 32.207 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.530 3.245 35.277 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.509 2.965 33.944 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.833 3.903 35.485 1.00 0.00 H new ATOM 917 N LEU A 59 1.650 -0.826 34.359 1.00 0.00 N ATOM 918 CA LEU A 59 1.676 -0.846 35.817 1.00 0.00 C ATOM 919 C LEU A 59 2.190 0.479 36.371 1.00 0.00 C ATOM 920 O LEU A 59 3.129 1.067 35.833 1.00 0.00 O ATOM 921 CB LEU A 59 2.555 -1.995 36.315 1.00 0.00 C ATOM 922 CG LEU A 59 1.945 -3.394 36.226 1.00 0.00 C ATOM 923 CD1 LEU A 59 2.720 -4.371 37.097 1.00 0.00 C ATOM 924 CD2 LEU A 59 0.479 -3.364 36.629 1.00 0.00 C ATOM 0 H LEU A 59 2.544 -0.598 33.924 1.00 0.00 H new ATOM 0 HA LEU A 59 0.656 -0.996 36.172 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.484 -1.989 35.745 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.818 -1.801 37.355 1.00 0.00 H new ATOM 0 HG LEU A 59 2.009 -3.732 35.192 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.271 -5.361 37.021 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.756 -4.415 36.761 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.689 -4.037 38.134 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.062 -4.369 36.559 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.391 -3.005 37.654 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.068 -2.697 35.963 1.00 0.00 H new ATOM 936 N CYS A 60 1.570 0.944 37.451 1.00 0.00 N ATOM 937 CA CYS A 60 1.964 2.198 38.079 1.00 0.00 C ATOM 938 C CYS A 60 3.387 2.110 38.624 1.00 0.00 C ATOM 939 O CYS A 60 3.974 1.030 38.683 1.00 0.00 O ATOM 940 CB CYS A 60 0.995 2.554 39.209 1.00 0.00 C ATOM 941 SG CYS A 60 -0.761 2.347 38.774 1.00 0.00 S ATOM 0 H CYS A 60 0.792 0.470 37.909 1.00 0.00 H new ATOM 0 HA CYS A 60 1.931 2.981 37.321 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.220 1.932 40.075 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.165 3.589 39.507 1.00 0.00 H new ATOM 946 N SER A 61 3.935 3.254 39.022 1.00 0.00 N ATOM 947 CA SER A 61 5.290 3.307 39.558 1.00 0.00 C ATOM 948 C SER A 61 5.282 3.118 41.072 1.00 0.00 C ATOM 949 O SER A 61 6.211 2.547 41.644 1.00 0.00 O ATOM 950 CB SER A 61 5.950 4.641 39.203 1.00 0.00 C ATOM 951 OG SER A 61 7.361 4.516 39.159 1.00 0.00 O ATOM 0 H SER A 61 3.461 4.156 38.983 1.00 0.00 H new ATOM 0 HA SER A 61 5.864 2.496 39.110 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.582 4.987 38.237 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.671 5.395 39.939 1.00 0.00 H new ATOM 0 HG SER A 61 7.601 3.680 38.707 1.00 0.00 H new ATOM 957 N LYS A 62 4.226 3.602 41.717 1.00 0.00 N ATOM 958 CA LYS A 62 4.093 3.486 43.165 1.00 0.00 C ATOM 959 C LYS A 62 4.506 2.097 43.640 1.00 0.00 C ATOM 960 O LYS A 62 5.190 1.954 44.653 1.00 0.00 O ATOM 961 CB LYS A 62 2.652 3.776 43.590 1.00 0.00 C ATOM 962 CG LYS A 62 2.334 5.257 43.693 1.00 0.00 C ATOM 963 CD LYS A 62 0.837 5.501 43.781 1.00 0.00 C ATOM 964 CE LYS A 62 0.266 4.993 45.096 1.00 0.00 C ATOM 965 NZ LYS A 62 0.009 3.527 45.059 1.00 0.00 N ATOM 0 H LYS A 62 3.449 4.079 41.260 1.00 0.00 H new ATOM 0 HA LYS A 62 4.755 4.219 43.626 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.971 3.316 42.874 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.465 3.305 44.555 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.824 5.675 44.572 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.738 5.778 42.825 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.635 6.568 43.683 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.337 5.004 42.950 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.960 5.220 45.905 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.663 5.519 45.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.952 3.334 45.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.099 3.183 44.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.701 3.038 45.663 1.00 0.00 H new ATOM 979 N HIS A 63 4.086 1.075 42.900 1.00 0.00 N ATOM 980 CA HIS A 63 4.414 -0.304 43.246 1.00 0.00 C ATOM 981 C HIS A 63 5.924 -0.489 43.367 1.00 0.00 C ATOM 982 O HIS A 63 6.424 -0.924 44.405 1.00 0.00 O ATOM 983 CB HIS A 63 3.854 -1.262 42.194 1.00 0.00 C ATOM 984 CG HIS A 63 2.426 -0.990 41.835 1.00 0.00 C ATOM 985 ND1 HIS A 63 1.384 -1.144 42.725 1.00 0.00 N ATOM 986 CD2 HIS A 63 1.869 -0.569 40.676 1.00 0.00 C ATOM 987 CE1 HIS A 63 0.248 -0.831 42.128 1.00 0.00 C ATOM 988 NE2 HIS A 63 0.514 -0.479 40.883 1.00 0.00 N ATOM 0 H HIS A 63 3.519 1.176 42.058 1.00 0.00 H new ATOM 0 HA HIS A 63 3.960 -0.529 44.211 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.465 -1.197 41.294 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.939 -2.284 42.564 1.00 0.00 H new ATOM 0 HD1 HIS A 63 1.476 -1.452 43.693 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.393 -0.345 39.758 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.732 -0.858 42.581 1.00 0.00 H new ATOM 996 N PHE A 64 6.643 -0.157 42.301 1.00 0.00 N ATOM 997 CA PHE A 64 8.096 -0.289 42.288 1.00 0.00 C ATOM 998 C PHE A 64 8.741 0.718 43.236 1.00 0.00 C ATOM 999 O PHE A 64 8.125 1.714 43.613 1.00 0.00 O ATOM 1000 CB PHE A 64 8.634 -0.088 40.870 1.00 0.00 C ATOM 1001 CG PHE A 64 8.108 -1.090 39.882 1.00 0.00 C ATOM 1002 CD1 PHE A 64 6.909 -0.869 39.223 1.00 0.00 C ATOM 1003 CD2 PHE A 64 8.812 -2.252 39.611 1.00 0.00 C ATOM 1004 CE1 PHE A 64 6.422 -1.788 38.313 1.00 0.00 C ATOM 1005 CE2 PHE A 64 8.331 -3.175 38.702 1.00 0.00 C ATOM 1006 CZ PHE A 64 7.134 -2.943 38.053 1.00 0.00 C ATOM 0 H PHE A 64 6.244 0.205 41.435 1.00 0.00 H new ATOM 0 HA PHE A 64 8.348 -1.294 42.626 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.376 0.915 40.531 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.722 -0.147 40.891 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.349 0.032 39.423 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.748 -2.439 40.116 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.486 -1.604 37.806 1.00 0.00 H new ATOM 0 HE2 PHE A 64 8.890 -4.076 38.499 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.755 -3.664 37.343 1.00 0.00 H new ATOM 1016 N GLU A 65 9.986 0.448 43.617 1.00 0.00 N ATOM 1017 CA GLU A 65 10.715 1.329 44.522 1.00 0.00 C ATOM 1018 C GLU A 65 11.598 2.300 43.743 1.00 0.00 C ATOM 1019 O GLU A 65 11.132 3.336 43.271 1.00 0.00 O ATOM 1020 CB GLU A 65 11.571 0.508 45.489 1.00 0.00 C ATOM 1021 CG GLU A 65 10.781 -0.095 46.638 1.00 0.00 C ATOM 1022 CD GLU A 65 11.096 0.559 47.970 1.00 0.00 C ATOM 1023 OE1 GLU A 65 10.857 1.777 48.104 1.00 0.00 O ATOM 1024 OE2 GLU A 65 11.581 -0.149 48.878 1.00 0.00 O ATOM 0 H GLU A 65 10.510 -0.373 43.313 1.00 0.00 H new ATOM 0 HA GLU A 65 9.986 1.905 45.092 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.062 -0.293 44.936 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.358 1.144 45.894 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.715 0.004 46.432 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.996 -1.162 46.701 1.00 0.00 H new ATOM 1031 N ALA A 66 12.875 1.956 43.614 1.00 0.00 N ATOM 1032 CA ALA A 66 13.823 2.795 42.892 1.00 0.00 C ATOM 1033 C ALA A 66 14.877 1.949 42.185 1.00 0.00 C ATOM 1034 O ALA A 66 15.266 2.243 41.055 1.00 0.00 O ATOM 1035 CB ALA A 66 14.486 3.781 43.842 1.00 0.00 C ATOM 0 H ALA A 66 13.277 1.102 44.000 1.00 0.00 H new ATOM 0 HA ALA A 66 13.273 3.352 42.134 1.00 0.00 H new ATOM 0 HB1 ALA A 66 15.191 4.401 43.289 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.725 4.415 44.297 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.017 3.234 44.621 1.00 0.00 H new ATOM 1041 N SER A 67 15.335 0.898 42.857 1.00 0.00 N ATOM 1042 CA SER A 67 16.347 0.013 42.294 1.00 0.00 C ATOM 1043 C SER A 67 15.837 -0.655 41.021 1.00 0.00 C ATOM 1044 O SER A 67 16.606 -1.263 40.275 1.00 0.00 O ATOM 1045 CB SER A 67 16.749 -1.052 43.317 1.00 0.00 C ATOM 1046 OG SER A 67 18.018 -0.766 43.879 1.00 0.00 O ATOM 0 H SER A 67 15.021 0.639 43.792 1.00 0.00 H new ATOM 0 HA SER A 67 17.221 0.614 42.043 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.000 -1.102 44.108 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.772 -2.031 42.838 1.00 0.00 H new ATOM 0 HG SER A 67 18.251 -1.460 44.531 1.00 0.00 H new ATOM 1052 N CYS A 68 14.537 -0.538 40.779 1.00 0.00 N ATOM 1053 CA CYS A 68 13.922 -1.131 39.597 1.00 0.00 C ATOM 1054 C CYS A 68 13.870 -0.127 38.450 1.00 0.00 C ATOM 1055 O CYS A 68 13.367 -0.430 37.368 1.00 0.00 O ATOM 1056 CB CYS A 68 12.512 -1.625 39.922 1.00 0.00 C ATOM 1057 SG CYS A 68 12.170 -1.766 41.692 1.00 0.00 S ATOM 0 H CYS A 68 13.888 -0.038 41.386 1.00 0.00 H new ATOM 0 HA CYS A 68 14.533 -1.979 39.287 1.00 0.00 H new ATOM 0 HB2 CYS A 68 11.788 -0.943 39.476 1.00 0.00 H new ATOM 0 HB3 CYS A 68 12.363 -2.599 39.455 1.00 0.00 H new ATOM 0 HG CYS A 68 10.902 -1.992 41.872 1.00 0.00 H new ATOM 1063 N PHE A 69 14.392 1.071 38.694 1.00 0.00 N ATOM 1064 CA PHE A 69 14.403 2.121 37.683 1.00 0.00 C ATOM 1065 C PHE A 69 15.832 2.542 37.351 1.00 0.00 C ATOM 1066 O PHE A 69 16.794 1.948 37.838 1.00 0.00 O ATOM 1067 CB PHE A 69 13.602 3.332 38.166 1.00 0.00 C ATOM 1068 CG PHE A 69 12.136 3.051 38.337 1.00 0.00 C ATOM 1069 CD1 PHE A 69 11.304 2.948 37.234 1.00 0.00 C ATOM 1070 CD2 PHE A 69 11.591 2.890 39.601 1.00 0.00 C ATOM 1071 CE1 PHE A 69 9.955 2.691 37.389 1.00 0.00 C ATOM 1072 CE2 PHE A 69 10.242 2.633 39.762 1.00 0.00 C ATOM 1073 CZ PHE A 69 9.424 2.532 38.654 1.00 0.00 C ATOM 0 H PHE A 69 14.813 1.338 39.584 1.00 0.00 H new ATOM 0 HA PHE A 69 13.940 1.725 36.779 1.00 0.00 H new ATOM 0 HB2 PHE A 69 14.012 3.673 39.117 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.727 4.148 37.454 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.714 3.070 36.242 1.00 0.00 H new ATOM 0 HD2 PHE A 69 12.227 2.966 40.470 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.316 2.615 36.521 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.829 2.511 40.752 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.370 2.329 38.777 1.00 0.00 H new ATOM 1083 N ASP A 70 15.961 3.569 36.519 1.00 0.00 N ATOM 1084 CA ASP A 70 17.272 4.071 36.122 1.00 0.00 C ATOM 1085 C ASP A 70 17.604 5.366 36.857 1.00 0.00 C ATOM 1086 O ASP A 70 17.482 6.457 36.300 1.00 0.00 O ATOM 1087 CB ASP A 70 17.316 4.302 34.611 1.00 0.00 C ATOM 1088 CG ASP A 70 18.700 4.085 34.032 1.00 0.00 C ATOM 1089 OD1 ASP A 70 19.610 4.878 34.355 1.00 0.00 O ATOM 1090 OD2 ASP A 70 18.875 3.121 33.257 1.00 0.00 O ATOM 0 H ASP A 70 15.175 4.070 36.106 1.00 0.00 H new ATOM 0 HA ASP A 70 18.017 3.322 36.390 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.612 3.629 34.123 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.989 5.319 34.392 1.00 0.00 H new ATOM 1095 N LEU A 71 18.023 5.237 38.111 1.00 0.00 N ATOM 1096 CA LEU A 71 18.372 6.397 38.924 1.00 0.00 C ATOM 1097 C LEU A 71 19.678 7.023 38.447 1.00 0.00 C ATOM 1098 O LEU A 71 19.858 8.239 38.515 1.00 0.00 O ATOM 1099 CB LEU A 71 18.492 5.996 40.395 1.00 0.00 C ATOM 1100 CG LEU A 71 17.380 5.098 40.940 1.00 0.00 C ATOM 1101 CD1 LEU A 71 16.037 5.492 40.344 1.00 0.00 C ATOM 1102 CD2 LEU A 71 17.685 3.636 40.651 1.00 0.00 C ATOM 0 H LEU A 71 18.129 4.341 38.587 1.00 0.00 H new ATOM 0 HA LEU A 71 17.577 7.136 38.819 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.445 5.486 40.535 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.526 6.904 40.997 1.00 0.00 H new ATOM 0 HG LEU A 71 17.329 5.231 42.021 1.00 0.00 H new ATOM 0 HD11 LEU A 71 15.257 4.843 40.743 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.814 6.527 40.602 1.00 0.00 H new ATOM 0 HD13 LEU A 71 16.076 5.389 39.260 1.00 0.00 H new ATOM 0 HD21 LEU A 71 16.883 3.012 41.046 1.00 0.00 H new ATOM 0 HD22 LEU A 71 17.764 3.487 39.574 1.00 0.00 H new ATOM 0 HD23 LEU A 71 18.627 3.360 41.126 1.00 0.00 H new ATOM 1114 N THR A 72 20.588 6.184 37.962 1.00 0.00 N ATOM 1115 CA THR A 72 21.878 6.654 37.473 1.00 0.00 C ATOM 1116 C THR A 72 21.749 7.262 36.081 1.00 0.00 C ATOM 1117 O THR A 72 22.735 7.702 35.491 1.00 0.00 O ATOM 1118 CB THR A 72 22.912 5.514 37.428 1.00 0.00 C ATOM 1119 OG1 THR A 72 24.238 6.053 37.469 1.00 0.00 O ATOM 1120 CG2 THR A 72 22.739 4.674 36.171 1.00 0.00 C ATOM 0 H THR A 72 20.455 5.175 37.897 1.00 0.00 H new ATOM 0 HA THR A 72 22.221 7.418 38.171 1.00 0.00 H new ATOM 0 HB THR A 72 22.753 4.875 38.297 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.304 6.807 36.847 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.481 3.875 36.162 1.00 0.00 H new ATOM 0 HG22 THR A 72 21.739 4.241 36.158 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.873 5.304 35.291 1.00 0.00 H new ATOM 1128 N GLY A 73 20.525 7.285 35.560 1.00 0.00 N ATOM 1129 CA GLY A 73 20.290 7.842 34.241 1.00 0.00 C ATOM 1130 C GLY A 73 19.649 9.214 34.297 1.00 0.00 C ATOM 1131 O GLY A 73 19.233 9.668 35.363 1.00 0.00 O ATOM 0 H GLY A 73 19.692 6.928 36.029 1.00 0.00 H new ATOM 0 HA2 GLY A 73 21.236 7.908 33.704 1.00 0.00 H new ATOM 0 HA3 GLY A 73 19.648 7.167 33.674 1.00 0.00 H new ATOM 1135 N GLN A 74 19.570 9.876 33.148 1.00 0.00 N ATOM 1136 CA GLN A 74 18.976 11.206 33.072 1.00 0.00 C ATOM 1137 C GLN A 74 17.728 11.296 33.944 1.00 0.00 C ATOM 1138 O GLN A 74 17.515 12.287 34.643 1.00 0.00 O ATOM 1139 CB GLN A 74 18.626 11.550 31.623 1.00 0.00 C ATOM 1140 CG GLN A 74 18.448 13.039 31.377 1.00 0.00 C ATOM 1141 CD GLN A 74 17.958 13.344 29.975 1.00 0.00 C ATOM 1142 OE1 GLN A 74 17.036 12.701 29.474 1.00 0.00 O ATOM 1143 NE2 GLN A 74 18.574 14.331 29.334 1.00 0.00 N ATOM 0 H GLN A 74 19.910 9.514 32.257 1.00 0.00 H new ATOM 0 HA GLN A 74 19.708 11.924 33.442 1.00 0.00 H new ATOM 0 HB2 GLN A 74 19.413 11.174 30.969 1.00 0.00 H new ATOM 0 HB3 GLN A 74 17.707 11.032 31.347 1.00 0.00 H new ATOM 0 HG2 GLN A 74 17.739 13.441 32.101 1.00 0.00 H new ATOM 0 HG3 GLN A 74 19.398 13.547 31.545 1.00 0.00 H new ATOM 0 HE21 GLN A 74 19.334 14.838 29.788 1.00 0.00 H new ATOM 0 HE22 GLN A 74 18.287 14.582 28.388 1.00 0.00 H new ATOM 1152 N THR A 75 16.904 10.253 33.898 1.00 0.00 N ATOM 1153 CA THR A 75 15.676 10.215 34.682 1.00 0.00 C ATOM 1154 C THR A 75 15.340 8.790 35.108 1.00 0.00 C ATOM 1155 O THR A 75 15.917 7.828 34.600 1.00 0.00 O ATOM 1156 CB THR A 75 14.488 10.797 33.894 1.00 0.00 C ATOM 1157 OG1 THR A 75 13.321 10.834 34.723 1.00 0.00 O ATOM 1158 CG2 THR A 75 14.206 9.967 32.650 1.00 0.00 C ATOM 0 H THR A 75 17.065 9.424 33.326 1.00 0.00 H new ATOM 0 HA THR A 75 15.848 10.826 35.568 1.00 0.00 H new ATOM 0 HB THR A 75 14.746 11.810 33.586 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.571 11.207 34.215 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.363 10.397 32.109 1.00 0.00 H new ATOM 0 HG22 THR A 75 15.086 9.964 32.007 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.967 8.944 32.941 1.00 0.00 H new ATOM 1166 N ARG A 76 14.404 8.662 36.043 1.00 0.00 N ATOM 1167 CA ARG A 76 13.992 7.354 36.537 1.00 0.00 C ATOM 1168 C ARG A 76 13.324 6.541 35.432 1.00 0.00 C ATOM 1169 O ARG A 76 12.149 6.740 35.125 1.00 0.00 O ATOM 1170 CB ARG A 76 13.034 7.511 37.720 1.00 0.00 C ATOM 1171 CG ARG A 76 13.304 6.537 38.855 1.00 0.00 C ATOM 1172 CD ARG A 76 13.200 7.220 40.210 1.00 0.00 C ATOM 1173 NE ARG A 76 11.814 7.364 40.645 1.00 0.00 N ATOM 1174 CZ ARG A 76 11.458 7.589 41.905 1.00 0.00 C ATOM 1175 NH1 ARG A 76 12.383 7.695 42.850 1.00 0.00 N ATOM 1176 NH2 ARG A 76 10.176 7.709 42.223 1.00 0.00 N ATOM 0 H ARG A 76 13.917 9.448 36.473 1.00 0.00 H new ATOM 0 HA ARG A 76 14.883 6.821 36.868 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.105 8.529 38.102 1.00 0.00 H new ATOM 0 HB3 ARG A 76 12.011 7.373 37.369 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.592 5.713 38.806 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.299 6.107 38.738 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.754 6.643 40.950 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.667 8.203 40.157 1.00 0.00 H new ATOM 0 HE ARG A 76 11.078 7.288 39.943 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.370 7.604 42.610 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.107 7.868 43.817 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.461 7.629 41.500 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.905 7.882 43.191 1.00 0.00 H new ATOM 1190 N ARG A 77 14.082 5.625 34.838 1.00 0.00 N ATOM 1191 CA ARG A 77 13.564 4.783 33.766 1.00 0.00 C ATOM 1192 C ARG A 77 13.482 3.326 34.211 1.00 0.00 C ATOM 1193 O ARG A 77 14.461 2.759 34.699 1.00 0.00 O ATOM 1194 CB ARG A 77 14.450 4.900 32.524 1.00 0.00 C ATOM 1195 CG ARG A 77 14.470 6.294 31.920 1.00 0.00 C ATOM 1196 CD ARG A 77 14.972 6.271 30.484 1.00 0.00 C ATOM 1197 NE ARG A 77 13.875 6.219 29.522 1.00 0.00 N ATOM 1198 CZ ARG A 77 14.030 5.876 28.248 1.00 0.00 C ATOM 1199 NH1 ARG A 77 15.231 5.556 27.786 1.00 0.00 N ATOM 1200 NH2 ARG A 77 12.983 5.853 27.433 1.00 0.00 N ATOM 0 H ARG A 77 15.057 5.447 35.081 1.00 0.00 H new ATOM 0 HA ARG A 77 12.559 5.127 33.521 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.468 4.612 32.786 1.00 0.00 H new ATOM 0 HB3 ARG A 77 14.102 4.192 31.772 1.00 0.00 H new ATOM 0 HG2 ARG A 77 13.467 6.719 31.949 1.00 0.00 H new ATOM 0 HG3 ARG A 77 15.109 6.943 32.520 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.576 7.159 30.297 1.00 0.00 H new ATOM 0 HD3 ARG A 77 15.621 5.407 30.341 1.00 0.00 H new ATOM 0 HE ARG A 77 12.938 6.459 29.846 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.038 5.573 28.409 1.00 0.00 H new ATOM 0 HH12 ARG A 77 15.348 5.293 26.807 1.00 0.00 H new ATOM 0 HH21 ARG A 77 12.058 6.099 27.785 1.00 0.00 H new ATOM 0 HH22 ARG A 77 13.104 5.589 26.455 1.00 0.00 H new ATOM 1214 N LEU A 78 12.310 2.726 34.040 1.00 0.00 N ATOM 1215 CA LEU A 78 12.099 1.334 34.424 1.00 0.00 C ATOM 1216 C LEU A 78 12.954 0.399 33.574 1.00 0.00 C ATOM 1217 O LEU A 78 12.825 0.363 32.350 1.00 0.00 O ATOM 1218 CB LEU A 78 10.622 0.963 34.282 1.00 0.00 C ATOM 1219 CG LEU A 78 10.191 -0.343 34.951 1.00 0.00 C ATOM 1220 CD1 LEU A 78 11.096 -1.487 34.522 1.00 0.00 C ATOM 1221 CD2 LEU A 78 10.198 -0.194 36.465 1.00 0.00 C ATOM 0 H LEU A 78 11.491 3.181 33.638 1.00 0.00 H new ATOM 0 HA LEU A 78 12.397 1.222 35.467 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.023 1.774 34.695 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.384 0.900 33.220 1.00 0.00 H new ATOM 0 HG LEU A 78 9.174 -0.573 34.633 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.774 -2.408 35.008 1.00 0.00 H new ATOM 0 HD12 LEU A 78 11.040 -1.609 33.440 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.124 -1.265 34.810 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.889 -1.133 36.924 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.203 0.061 36.801 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.507 0.597 36.756 1.00 0.00 H new ATOM 1233 N LYS A 79 13.826 -0.357 34.230 1.00 0.00 N ATOM 1234 CA LYS A 79 14.701 -1.296 33.537 1.00 0.00 C ATOM 1235 C LYS A 79 13.910 -2.489 33.011 1.00 0.00 C ATOM 1236 O LYS A 79 13.046 -3.027 33.703 1.00 0.00 O ATOM 1237 CB LYS A 79 15.810 -1.779 34.473 1.00 0.00 C ATOM 1238 CG LYS A 79 16.750 -0.673 34.924 1.00 0.00 C ATOM 1239 CD LYS A 79 16.894 -0.647 36.437 1.00 0.00 C ATOM 1240 CE LYS A 79 17.360 -1.990 36.976 1.00 0.00 C ATOM 1241 NZ LYS A 79 18.320 -1.833 38.103 1.00 0.00 N ATOM 0 H LYS A 79 13.946 -0.338 35.243 1.00 0.00 H new ATOM 0 HA LYS A 79 15.150 -0.777 32.690 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.358 -2.240 35.351 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.388 -2.553 33.968 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.729 -0.817 34.467 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.374 0.289 34.577 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.606 0.127 36.722 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.938 -0.384 36.890 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.497 -2.566 37.311 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.831 -2.559 36.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.853 -2.717 38.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.981 -1.058 37.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 17.798 -1.614 38.976 1.00 0.00 H new ATOM 1255 N MET A 80 14.212 -2.899 31.783 1.00 0.00 N ATOM 1256 CA MET A 80 13.530 -4.031 31.166 1.00 0.00 C ATOM 1257 C MET A 80 13.744 -5.303 31.980 1.00 0.00 C ATOM 1258 O MET A 80 13.067 -6.309 31.765 1.00 0.00 O ATOM 1259 CB MET A 80 14.031 -4.237 29.735 1.00 0.00 C ATOM 1260 CG MET A 80 14.153 -2.946 28.942 1.00 0.00 C ATOM 1261 SD MET A 80 13.884 -3.188 27.176 1.00 0.00 S ATOM 1262 CE MET A 80 14.838 -4.677 26.889 1.00 0.00 C ATOM 0 H MET A 80 14.924 -2.464 31.196 1.00 0.00 H new ATOM 0 HA MET A 80 12.463 -3.811 31.141 1.00 0.00 H new ATOM 0 HB2 MET A 80 15.004 -4.728 29.766 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.351 -4.911 29.214 1.00 0.00 H new ATOM 0 HG2 MET A 80 13.431 -2.222 29.320 1.00 0.00 H new ATOM 0 HG3 MET A 80 15.144 -2.520 29.100 1.00 0.00 H new ATOM 0 HE1 MET A 80 15.115 -4.734 25.836 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.740 -4.655 27.501 1.00 0.00 H new ATOM 0 HE3 MET A 80 14.240 -5.549 27.155 1.00 0.00 H new ATOM 1272 N ASP A 81 14.687 -5.252 32.913 1.00 0.00 N ATOM 1273 CA ASP A 81 14.989 -6.400 33.760 1.00 0.00 C ATOM 1274 C ASP A 81 14.561 -6.140 35.201 1.00 0.00 C ATOM 1275 O ASP A 81 15.104 -6.728 36.136 1.00 0.00 O ATOM 1276 CB ASP A 81 16.484 -6.720 33.709 1.00 0.00 C ATOM 1277 CG ASP A 81 16.754 -8.208 33.612 1.00 0.00 C ATOM 1278 OD1 ASP A 81 16.067 -8.886 32.820 1.00 0.00 O ATOM 1279 OD2 ASP A 81 17.653 -8.696 34.329 1.00 0.00 O ATOM 0 H ASP A 81 15.256 -4.427 33.103 1.00 0.00 H new ATOM 0 HA ASP A 81 14.429 -7.256 33.382 1.00 0.00 H new ATOM 0 HB2 ASP A 81 16.932 -6.216 32.852 1.00 0.00 H new ATOM 0 HB3 ASP A 81 16.968 -6.323 34.601 1.00 0.00 H new ATOM 1284 N ALA A 82 13.585 -5.255 35.372 1.00 0.00 N ATOM 1285 CA ALA A 82 13.083 -4.918 36.699 1.00 0.00 C ATOM 1286 C ALA A 82 11.659 -5.427 36.893 1.00 0.00 C ATOM 1287 O ALA A 82 10.784 -5.187 36.061 1.00 0.00 O ATOM 1288 CB ALA A 82 13.143 -3.414 36.919 1.00 0.00 C ATOM 0 H ALA A 82 13.126 -4.758 34.609 1.00 0.00 H new ATOM 0 HA ALA A 82 13.719 -5.408 37.436 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.765 -3.176 37.913 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.175 -3.074 36.832 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.532 -2.912 36.169 1.00 0.00 H new ATOM 1294 N VAL A 83 11.433 -6.132 37.997 1.00 0.00 N ATOM 1295 CA VAL A 83 10.114 -6.675 38.300 1.00 0.00 C ATOM 1296 C VAL A 83 9.556 -6.076 39.586 1.00 0.00 C ATOM 1297 O VAL A 83 10.294 -5.677 40.487 1.00 0.00 O ATOM 1298 CB VAL A 83 10.157 -8.209 38.438 1.00 0.00 C ATOM 1299 CG1 VAL A 83 9.568 -8.873 37.203 1.00 0.00 C ATOM 1300 CG2 VAL A 83 11.582 -8.682 38.680 1.00 0.00 C ATOM 0 H VAL A 83 12.146 -6.340 38.696 1.00 0.00 H new ATOM 0 HA VAL A 83 9.463 -6.410 37.467 1.00 0.00 H new ATOM 0 HB VAL A 83 9.552 -8.496 39.298 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.607 -9.956 37.319 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.532 -8.558 37.080 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.143 -8.581 36.324 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.594 -9.768 38.775 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.212 -8.384 37.841 1.00 0.00 H new ATOM 0 HG23 VAL A 83 11.963 -8.233 39.597 1.00 0.00 H new ATOM 1310 N PRO A 84 8.219 -6.010 39.676 1.00 0.00 N ATOM 1311 CA PRO A 84 7.531 -5.461 40.848 1.00 0.00 C ATOM 1312 C PRO A 84 7.667 -6.359 42.074 1.00 0.00 C ATOM 1313 O PRO A 84 6.774 -7.150 42.380 1.00 0.00 O ATOM 1314 CB PRO A 84 6.069 -5.388 40.399 1.00 0.00 C ATOM 1315 CG PRO A 84 5.946 -6.428 39.340 1.00 0.00 C ATOM 1316 CD PRO A 84 7.277 -6.467 38.641 1.00 0.00 C ATOM 0 HA PRO A 84 7.947 -4.500 41.152 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.390 -5.585 41.228 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.822 -4.399 40.013 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.704 -7.399 39.773 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.146 -6.182 38.642 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.519 -7.471 38.293 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.292 -5.815 37.768 1.00 0.00 H new ATOM 1324 N THR A 85 8.791 -6.231 42.773 1.00 0.00 N ATOM 1325 CA THR A 85 9.044 -7.031 43.965 1.00 0.00 C ATOM 1326 C THR A 85 8.471 -6.361 45.208 1.00 0.00 C ATOM 1327 O THR A 85 9.014 -6.501 46.305 1.00 0.00 O ATOM 1328 CB THR A 85 10.552 -7.268 44.172 1.00 0.00 C ATOM 1329 OG1 THR A 85 11.221 -6.019 44.377 1.00 0.00 O ATOM 1330 CG2 THR A 85 11.157 -7.982 42.972 1.00 0.00 C ATOM 0 H THR A 85 9.540 -5.581 42.534 1.00 0.00 H new ATOM 0 HA THR A 85 8.550 -7.991 43.813 1.00 0.00 H new ATOM 0 HB THR A 85 10.681 -7.897 45.053 1.00 0.00 H new ATOM 0 HG1 THR A 85 12.179 -6.179 44.509 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.222 -8.139 43.141 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.666 -8.945 42.836 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.017 -7.374 42.078 1.00 0.00 H new ATOM 1338 N ILE A 86 7.373 -5.635 45.031 1.00 0.00 N ATOM 1339 CA ILE A 86 6.726 -4.945 46.140 1.00 0.00 C ATOM 1340 C ILE A 86 5.238 -5.272 46.198 1.00 0.00 C ATOM 1341 O ILE A 86 4.806 -6.110 46.991 1.00 0.00 O ATOM 1342 CB ILE A 86 6.901 -3.419 46.033 1.00 0.00 C ATOM 1343 CG1 ILE A 86 8.379 -3.043 46.161 1.00 0.00 C ATOM 1344 CG2 ILE A 86 6.076 -2.715 47.100 1.00 0.00 C ATOM 1345 CD1 ILE A 86 8.922 -2.311 44.954 1.00 0.00 C ATOM 0 H ILE A 86 6.912 -5.509 44.130 1.00 0.00 H new ATOM 0 HA ILE A 86 7.208 -5.294 47.053 1.00 0.00 H new ATOM 0 HB ILE A 86 6.546 -3.095 45.055 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.512 -2.419 47.045 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.964 -3.949 46.320 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.210 -1.637 47.011 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.023 -2.962 46.967 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.403 -3.041 48.087 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.974 -2.076 45.114 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.821 -2.941 44.070 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.362 -1.387 44.806 1.00 0.00 H new ATOM 1357 N PHE A 87 4.458 -4.607 45.352 1.00 0.00 N ATOM 1358 CA PHE A 87 3.018 -4.828 45.306 1.00 0.00 C ATOM 1359 C PHE A 87 2.397 -4.662 46.690 1.00 0.00 C ATOM 1360 O PHE A 87 3.075 -4.281 47.644 1.00 0.00 O ATOM 1361 CB PHE A 87 2.711 -6.224 44.761 1.00 0.00 C ATOM 1362 CG PHE A 87 2.350 -6.232 43.303 1.00 0.00 C ATOM 1363 CD1 PHE A 87 1.280 -5.487 42.836 1.00 0.00 C ATOM 1364 CD2 PHE A 87 3.082 -6.986 42.399 1.00 0.00 C ATOM 1365 CE1 PHE A 87 0.946 -5.492 41.494 1.00 0.00 C ATOM 1366 CE2 PHE A 87 2.753 -6.995 41.057 1.00 0.00 C ATOM 1367 CZ PHE A 87 1.683 -6.248 40.604 1.00 0.00 C ATOM 0 H PHE A 87 4.799 -3.911 44.689 1.00 0.00 H new ATOM 0 HA PHE A 87 2.583 -4.082 44.640 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.579 -6.865 44.916 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.890 -6.656 45.333 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.699 -4.895 43.528 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.919 -7.573 42.748 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.110 -4.905 41.143 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.332 -7.586 40.363 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.423 -6.255 39.556 1.00 0.00 H new ATOM 1377 N ASP A 88 1.105 -4.952 46.791 1.00 0.00 N ATOM 1378 CA ASP A 88 0.392 -4.837 48.058 1.00 0.00 C ATOM 1379 C ASP A 88 -0.258 -6.163 48.439 1.00 0.00 C ATOM 1380 O ASP A 88 -1.109 -6.217 49.327 1.00 0.00 O ATOM 1381 CB ASP A 88 -0.670 -3.740 47.972 1.00 0.00 C ATOM 1382 CG ASP A 88 -1.599 -3.926 46.788 1.00 0.00 C ATOM 1383 OD1 ASP A 88 -1.104 -4.267 45.694 1.00 0.00 O ATOM 1384 OD2 ASP A 88 -2.821 -3.729 46.956 1.00 0.00 O ATOM 0 H ASP A 88 0.530 -5.269 46.011 1.00 0.00 H new ATOM 0 HA ASP A 88 1.115 -4.573 48.830 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.255 -3.732 48.892 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.180 -2.769 47.897 1.00 0.00 H new ATOM 1389 N PHE A 89 0.147 -7.231 47.760 1.00 0.00 N ATOM 1390 CA PHE A 89 -0.397 -8.558 48.025 1.00 0.00 C ATOM 1391 C PHE A 89 0.720 -9.589 48.150 1.00 0.00 C ATOM 1392 O PHE A 89 1.901 -9.260 48.027 1.00 0.00 O ATOM 1393 CB PHE A 89 -1.363 -8.968 46.912 1.00 0.00 C ATOM 1394 CG PHE A 89 -2.807 -8.739 47.256 1.00 0.00 C ATOM 1395 CD1 PHE A 89 -3.429 -9.500 48.232 1.00 0.00 C ATOM 1396 CD2 PHE A 89 -3.542 -7.762 46.604 1.00 0.00 C ATOM 1397 CE1 PHE A 89 -4.758 -9.292 48.550 1.00 0.00 C ATOM 1398 CE2 PHE A 89 -4.871 -7.548 46.918 1.00 0.00 C ATOM 1399 CZ PHE A 89 -5.479 -8.314 47.893 1.00 0.00 C ATOM 0 H PHE A 89 0.850 -7.204 47.022 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.938 -8.519 48.970 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.120 -8.410 46.008 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.215 -10.024 46.684 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.869 -10.264 48.750 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.071 -7.160 45.841 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.232 -9.894 49.311 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.433 -6.783 46.402 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.517 -8.149 48.142 1.00 0.00 H new ATOM 1409 N CYS A 90 0.340 -10.838 48.397 1.00 0.00 N ATOM 1410 CA CYS A 90 1.309 -11.918 48.540 1.00 0.00 C ATOM 1411 C CYS A 90 2.189 -11.700 49.766 1.00 0.00 C ATOM 1412 O CYS A 90 2.142 -10.644 50.398 1.00 0.00 O ATOM 1413 CB CYS A 90 2.177 -12.023 47.286 1.00 0.00 C ATOM 1414 SG CYS A 90 2.322 -13.700 46.626 1.00 0.00 S ATOM 0 H CYS A 90 -0.632 -11.127 48.502 1.00 0.00 H new ATOM 0 HA CYS A 90 0.760 -12.850 48.671 1.00 0.00 H new ATOM 0 HB2 CYS A 90 1.761 -11.375 46.514 1.00 0.00 H new ATOM 0 HB3 CYS A 90 3.174 -11.647 47.515 1.00 0.00 H new ATOM 0 HG CYS A 90 3.542 -13.905 46.225 1.00 0.00 H new ATOM 1420 N THR A 91 2.993 -12.706 50.099 1.00 0.00 N ATOM 1421 CA THR A 91 3.882 -12.625 51.250 1.00 0.00 C ATOM 1422 C THR A 91 4.476 -11.228 51.389 1.00 0.00 C ATOM 1423 O THR A 91 5.404 -10.862 50.668 1.00 0.00 O ATOM 1424 CB THR A 91 5.028 -13.649 51.148 1.00 0.00 C ATOM 1425 OG1 THR A 91 6.101 -13.273 52.018 1.00 0.00 O ATOM 1426 CG2 THR A 91 5.538 -13.750 49.719 1.00 0.00 C ATOM 0 H THR A 91 3.046 -13.586 49.587 1.00 0.00 H new ATOM 0 HA THR A 91 3.280 -12.850 52.130 1.00 0.00 H new ATOM 0 HB THR A 91 4.642 -14.623 51.449 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.825 -13.930 51.948 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.347 -14.479 49.672 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.726 -14.066 49.064 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.907 -12.777 49.395 1.00 0.00 H new ATOM 1434 N HIS A 92 3.935 -10.450 52.322 1.00 0.00 N ATOM 1435 CA HIS A 92 4.414 -9.092 52.557 1.00 0.00 C ATOM 1436 C HIS A 92 4.885 -8.924 53.998 1.00 0.00 C ATOM 1437 O HIS A 92 6.085 -8.845 54.263 1.00 0.00 O ATOM 1438 CB HIS A 92 3.310 -8.080 52.247 1.00 0.00 C ATOM 1439 CG HIS A 92 3.638 -6.685 52.683 1.00 0.00 C ATOM 1440 ND1 HIS A 92 2.675 -5.739 52.967 1.00 0.00 N ATOM 1441 CD2 HIS A 92 4.831 -6.078 52.885 1.00 0.00 C ATOM 1442 CE1 HIS A 92 3.262 -4.610 53.323 1.00 0.00 C ATOM 1443 NE2 HIS A 92 4.570 -4.789 53.282 1.00 0.00 N ATOM 0 H HIS A 92 3.165 -10.736 52.927 1.00 0.00 H new ATOM 0 HA HIS A 92 5.260 -8.911 51.894 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.118 -8.081 51.174 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.389 -8.398 52.736 1.00 0.00 H new ATOM 0 HD2 HIS A 92 5.806 -6.524 52.758 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.758 -3.696 53.600 1.00 0.00 H new ATOM 0 HE2 HIS A 92 5.272 -4.085 53.508 1.00 0.00 H new ATOM 1451 N ILE A 93 3.934 -8.868 54.924 1.00 0.00 N ATOM 1452 CA ILE A 93 4.253 -8.709 56.338 1.00 0.00 C ATOM 1453 C ILE A 93 3.608 -9.809 57.174 1.00 0.00 C ATOM 1454 O ILE A 93 3.313 -9.615 58.353 1.00 0.00 O ATOM 1455 CB ILE A 93 3.791 -7.339 56.868 1.00 0.00 C ATOM 1456 CG1 ILE A 93 2.346 -7.065 56.446 1.00 0.00 C ATOM 1457 CG2 ILE A 93 4.714 -6.239 56.366 1.00 0.00 C ATOM 1458 CD1 ILE A 93 1.565 -6.256 57.458 1.00 0.00 C ATOM 0 H ILE A 93 2.936 -8.930 54.721 1.00 0.00 H new ATOM 0 HA ILE A 93 5.337 -8.777 56.427 1.00 0.00 H new ATOM 0 HB ILE A 93 3.834 -7.353 57.957 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.348 -6.536 55.493 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.837 -8.015 56.282 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.375 -5.276 56.749 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.730 -6.430 56.713 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.700 -6.221 55.276 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.550 -6.100 57.093 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.532 -6.793 58.406 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.050 -5.291 57.605 1.00 0.00 H new ATOM 1470 N SER A 94 3.392 -10.966 56.555 1.00 0.00 N ATOM 1471 CA SER A 94 2.780 -12.097 57.242 1.00 0.00 C ATOM 1472 C SER A 94 1.653 -11.631 58.158 1.00 0.00 C ATOM 1473 O SER A 94 1.864 -11.387 59.345 1.00 0.00 O ATOM 1474 CB SER A 94 3.830 -12.858 58.052 1.00 0.00 C ATOM 1475 OG SER A 94 4.073 -14.140 57.498 1.00 0.00 O ATOM 0 H SER A 94 3.632 -11.144 55.580 1.00 0.00 H new ATOM 0 HA SER A 94 2.360 -12.764 56.489 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.758 -12.287 58.076 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.493 -12.962 59.083 1.00 0.00 H new ATOM 0 HG SER A 94 4.749 -14.605 58.034 1.00 0.00 H new ATOM 1481 N GLY A 95 0.453 -11.511 57.597 1.00 0.00 N ATOM 1482 CA GLY A 95 -0.690 -11.074 58.377 1.00 0.00 C ATOM 1483 C GLY A 95 -1.815 -12.090 58.374 1.00 0.00 C ATOM 1484 O GLY A 95 -1.708 -13.166 57.786 1.00 0.00 O ATOM 0 H GLY A 95 0.253 -11.709 56.617 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.376 -10.887 59.404 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -1.057 -10.128 57.979 1.00 0.00 H new ATOM 1488 N PRO A 96 -2.925 -11.751 59.047 1.00 0.00 N ATOM 1489 CA PRO A 96 -4.096 -12.629 59.136 1.00 0.00 C ATOM 1490 C PRO A 96 -4.825 -12.759 57.803 1.00 0.00 C ATOM 1491 O PRO A 96 -4.386 -12.218 56.789 1.00 0.00 O ATOM 1492 CB PRO A 96 -4.986 -11.930 60.166 1.00 0.00 C ATOM 1493 CG PRO A 96 -4.591 -10.495 60.097 1.00 0.00 C ATOM 1494 CD PRO A 96 -3.123 -10.485 59.772 1.00 0.00 C ATOM 0 HA PRO A 96 -3.822 -13.648 59.411 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -6.042 -12.062 59.931 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.829 -12.336 61.165 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.163 -9.969 59.333 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.785 -9.991 61.044 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -2.853 -9.625 59.159 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -2.512 -10.439 60.674 1.00 0.00 H new ATOM 1502 N SER A 97 -5.942 -13.481 57.813 1.00 0.00 N ATOM 1503 CA SER A 97 -6.730 -13.685 56.604 1.00 0.00 C ATOM 1504 C SER A 97 -6.013 -14.624 55.639 1.00 0.00 C ATOM 1505 O SER A 97 -5.536 -14.204 54.585 1.00 0.00 O ATOM 1506 CB SER A 97 -7.007 -12.346 55.918 1.00 0.00 C ATOM 1507 OG SER A 97 -7.248 -11.325 56.871 1.00 0.00 O ATOM 0 H SER A 97 -6.321 -13.934 58.645 1.00 0.00 H new ATOM 0 HA SER A 97 -7.677 -14.141 56.891 1.00 0.00 H new ATOM 0 HB2 SER A 97 -6.157 -12.071 55.293 1.00 0.00 H new ATOM 0 HB3 SER A 97 -7.869 -12.443 55.259 1.00 0.00 H new ATOM 0 HG SER A 97 -7.421 -10.479 56.407 1.00 0.00 H new ATOM 1513 N SER A 98 -5.940 -15.899 56.009 1.00 0.00 N ATOM 1514 CA SER A 98 -5.277 -16.899 55.179 1.00 0.00 C ATOM 1515 C SER A 98 -6.144 -18.146 55.034 1.00 0.00 C ATOM 1516 O SER A 98 -6.170 -19.003 55.916 1.00 0.00 O ATOM 1517 CB SER A 98 -3.921 -17.274 55.781 1.00 0.00 C ATOM 1518 OG SER A 98 -3.173 -16.117 56.113 1.00 0.00 O ATOM 0 H SER A 98 -6.331 -16.264 56.877 1.00 0.00 H new ATOM 0 HA SER A 98 -5.121 -16.469 54.190 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.071 -17.882 56.673 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.360 -17.882 55.071 1.00 0.00 H new ATOM 0 HG SER A 98 -2.312 -16.383 56.497 1.00 0.00 H new ATOM 1524 N GLY A 99 -6.854 -18.238 53.914 1.00 0.00 N ATOM 1525 CA GLY A 99 -7.713 -19.383 53.672 1.00 0.00 C ATOM 1526 C GLY A 99 -8.946 -19.379 54.555 1.00 0.00 C ATOM 1527 O GLY A 99 -8.871 -18.903 55.686 1.00 0.00 O ATOM 0 H GLY A 99 -6.850 -17.540 53.170 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.019 -19.389 52.626 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.149 -20.300 53.845 1.00 0.00 H new TER 1531 GLY A 99 HETATM 1532 ZN ZN A 401 -1.386 0.327 39.806 1.00 0.00 ZN