USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 703 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 27 HIS HE2 : A 27 HIS NE2 : A 191 ZNZN :(H bumps) USER MOD NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 191 ZNZN :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 241 ZNZN :(H bumps) USER MOD NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 241 ZNZN :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 291 ZNZN :(H bumps) USER MOD NoAdj-H: A 87 HIS HE2 : A 87 HIS NE2 : A 291 ZNZN :(H bumps) USER MOD Set 1.1: A 76 ASN : amide:sc= -1.15 K(o=-0.95,f=-9.5!) USER MOD Set 1.2: A 79 GLN : amide:sc= 0.202 K(o=-0.95,f=-7.1!) USER MOD Set 2.1: A 37 TYR OH : rot -73:sc= 0.0157 USER MOD Set 2.2: A 49 SER OG : rot -6:sc= 0.963 USER MOD Set 3.1: A 9 HIS : no HD1:sc= 0.069 K(o=0.28,f=-1.2) USER MOD Set 3.2: A 21 LYS NZ :NH3+ 155:sc= 0.208 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0918 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 18:sc= 0.243 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -171:sc= 0.268 (180deg=0.191) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -107:sc= 0.0292 (180deg=0) USER MOD Single : A 38 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 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 120:sc= -0.784 USER MOD Single : A 50 SER OG : rot -75:sc= 0.978 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0267 X(o=-0.027,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -175:sc= 1.13 (180deg=0.882) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.0243 USER MOD Single : A 74 SER OG : rot 110:sc=-0.00571 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 93:sc= 0.0431 USER MOD Single : A 88 THR OG1 : rot 7:sc= 0.493 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.371 20.705 5.276 1.00 0.00 N ATOM 2 CA GLY A 1 14.370 19.302 4.907 1.00 0.00 C ATOM 3 C GLY A 1 15.461 18.517 5.608 1.00 0.00 C ATOM 4 O GLY A 1 16.214 19.069 6.411 1.00 0.00 O ATOM 0 H1 GLY A 1 13.470 20.943 5.738 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.156 20.891 5.932 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.487 21.288 4.423 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.401 18.867 5.149 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.499 19.213 3.828 1.00 0.00 H new ATOM 8 N SER A 2 15.547 17.226 5.306 1.00 0.00 N ATOM 9 CA SER A 2 16.550 16.362 5.917 1.00 0.00 C ATOM 10 C SER A 2 16.720 15.075 5.116 1.00 0.00 C ATOM 11 O SER A 2 15.971 14.813 4.176 1.00 0.00 O ATOM 12 CB SER A 2 16.159 16.031 7.359 1.00 0.00 C ATOM 13 OG SER A 2 15.099 15.092 7.397 1.00 0.00 O ATOM 0 H SER A 2 14.934 16.755 4.641 1.00 0.00 H new ATOM 0 HA SER A 2 17.500 16.896 5.919 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.022 15.631 7.891 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.860 16.943 7.877 1.00 0.00 H new ATOM 0 HG SER A 2 14.869 14.896 8.329 1.00 0.00 H new ATOM 19 N SER A 3 17.712 14.276 5.496 1.00 0.00 N ATOM 20 CA SER A 3 17.984 13.017 4.812 1.00 0.00 C ATOM 21 C SER A 3 18.121 11.873 5.812 1.00 0.00 C ATOM 22 O SER A 3 18.107 12.088 7.023 1.00 0.00 O ATOM 23 CB SER A 3 19.259 13.133 3.975 1.00 0.00 C ATOM 24 OG SER A 3 20.386 13.387 4.795 1.00 0.00 O ATOM 0 H SER A 3 18.341 14.478 6.274 1.00 0.00 H new ATOM 0 HA SER A 3 17.143 12.801 4.153 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.414 12.212 3.413 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.147 13.936 3.246 1.00 0.00 H new ATOM 0 HG SER A 3 21.188 13.455 4.236 1.00 0.00 H new ATOM 30 N GLY A 4 18.254 10.656 5.295 1.00 0.00 N ATOM 31 CA GLY A 4 18.392 9.495 6.155 1.00 0.00 C ATOM 32 C GLY A 4 19.313 8.444 5.568 1.00 0.00 C ATOM 33 O GLY A 4 20.174 8.754 4.745 1.00 0.00 O ATOM 0 H GLY A 4 18.269 10.453 4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.776 9.809 7.125 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.409 9.056 6.328 1.00 0.00 H new ATOM 37 N SER A 5 19.133 7.197 5.993 1.00 0.00 N ATOM 38 CA SER A 5 19.958 6.098 5.508 1.00 0.00 C ATOM 39 C SER A 5 19.171 4.791 5.497 1.00 0.00 C ATOM 40 O SER A 5 18.098 4.695 6.093 1.00 0.00 O ATOM 41 CB SER A 5 21.207 5.947 6.378 1.00 0.00 C ATOM 42 OG SER A 5 22.204 6.883 6.007 1.00 0.00 O ATOM 0 H SER A 5 18.423 6.923 6.672 1.00 0.00 H new ATOM 0 HA SER A 5 20.261 6.328 4.487 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.943 6.089 7.426 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.600 4.935 6.282 1.00 0.00 H new ATOM 0 HG SER A 5 21.798 7.601 5.477 1.00 0.00 H new ATOM 48 N SER A 6 19.712 3.787 4.815 1.00 0.00 N ATOM 49 CA SER A 6 19.060 2.486 4.723 1.00 0.00 C ATOM 50 C SER A 6 20.092 1.364 4.655 1.00 0.00 C ATOM 51 O SER A 6 21.274 1.607 4.419 1.00 0.00 O ATOM 52 CB SER A 6 18.151 2.433 3.493 1.00 0.00 C ATOM 53 OG SER A 6 17.055 3.320 3.631 1.00 0.00 O ATOM 0 H SER A 6 20.600 3.849 4.318 1.00 0.00 H new ATOM 0 HA SER A 6 18.456 2.346 5.619 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.723 2.693 2.602 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.785 1.416 3.351 1.00 0.00 H new ATOM 0 HG SER A 6 16.490 3.269 2.832 1.00 0.00 H new ATOM 59 N GLY A 7 19.634 0.133 4.865 1.00 0.00 N ATOM 60 CA GLY A 7 20.529 -1.008 4.825 1.00 0.00 C ATOM 61 C GLY A 7 19.925 -2.192 4.095 1.00 0.00 C ATOM 62 O GLY A 7 18.869 -2.091 3.471 1.00 0.00 O ATOM 0 H GLY A 7 18.659 -0.094 5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.459 -0.719 4.336 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.782 -1.303 5.843 1.00 0.00 H new ATOM 66 N PRO A 8 20.605 -3.346 4.167 1.00 0.00 N ATOM 67 CA PRO A 8 20.149 -4.576 3.513 1.00 0.00 C ATOM 68 C PRO A 8 18.903 -5.156 4.174 1.00 0.00 C ATOM 69 O PRO A 8 18.742 -5.081 5.393 1.00 0.00 O ATOM 70 CB PRO A 8 21.336 -5.528 3.682 1.00 0.00 C ATOM 71 CG PRO A 8 22.052 -5.032 4.890 1.00 0.00 C ATOM 72 CD PRO A 8 21.872 -3.539 4.893 1.00 0.00 C ATOM 0 HA PRO A 8 19.866 -4.405 2.474 1.00 0.00 H new ATOM 0 HB2 PRO A 8 21.002 -6.557 3.815 1.00 0.00 H new ATOM 0 HB3 PRO A 8 21.983 -5.513 2.805 1.00 0.00 H new ATOM 0 HG2 PRO A 8 21.642 -5.476 5.797 1.00 0.00 H new ATOM 0 HG3 PRO A 8 23.108 -5.298 4.854 1.00 0.00 H new ATOM 0 HD2 PRO A 8 21.818 -3.143 5.907 1.00 0.00 H new ATOM 0 HD3 PRO A 8 22.700 -3.033 4.397 1.00 0.00 H new ATOM 80 N HIS A 9 18.023 -5.734 3.362 1.00 0.00 N ATOM 81 CA HIS A 9 16.791 -6.328 3.869 1.00 0.00 C ATOM 82 C HIS A 9 16.650 -7.772 3.397 1.00 0.00 C ATOM 83 O HIS A 9 16.591 -8.042 2.198 1.00 0.00 O ATOM 84 CB HIS A 9 15.582 -5.510 3.415 1.00 0.00 C ATOM 85 CG HIS A 9 15.265 -4.357 4.317 1.00 0.00 C ATOM 86 ND1 HIS A 9 14.046 -4.205 4.944 1.00 0.00 N ATOM 87 CD2 HIS A 9 16.017 -3.298 4.697 1.00 0.00 C ATOM 88 CE1 HIS A 9 14.062 -3.102 5.670 1.00 0.00 C ATOM 89 NE2 HIS A 9 15.247 -2.533 5.537 1.00 0.00 N ATOM 0 H HIS A 9 18.140 -5.804 2.351 1.00 0.00 H new ATOM 0 HA HIS A 9 16.835 -6.323 4.958 1.00 0.00 H new ATOM 0 HB2 HIS A 9 15.766 -5.133 2.409 1.00 0.00 H new ATOM 0 HB3 HIS A 9 14.712 -6.164 3.356 1.00 0.00 H new ATOM 0 HD2 HIS A 9 17.034 -3.093 4.395 1.00 0.00 H new ATOM 0 HE1 HIS A 9 13.245 -2.729 6.270 1.00 0.00 H new ATOM 0 HE2 HIS A 9 15.542 -1.666 5.986 1.00 0.00 H new ATOM 97 N LYS A 10 16.597 -8.698 4.349 1.00 0.00 N ATOM 98 CA LYS A 10 16.463 -10.115 4.033 1.00 0.00 C ATOM 99 C LYS A 10 15.089 -10.636 4.443 1.00 0.00 C ATOM 100 O LYS A 10 14.743 -10.639 5.625 1.00 0.00 O ATOM 101 CB LYS A 10 17.557 -10.921 4.735 1.00 0.00 C ATOM 102 CG LYS A 10 17.649 -12.362 4.263 1.00 0.00 C ATOM 103 CD LYS A 10 18.170 -13.276 5.360 1.00 0.00 C ATOM 104 CE LYS A 10 17.696 -14.708 5.163 1.00 0.00 C ATOM 105 NZ LYS A 10 16.354 -14.936 5.767 1.00 0.00 N ATOM 0 H LYS A 10 16.645 -8.492 5.347 1.00 0.00 H new ATOM 0 HA LYS A 10 16.570 -10.233 2.955 1.00 0.00 H new ATOM 0 HB2 LYS A 10 18.518 -10.432 4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 10 17.372 -10.910 5.809 1.00 0.00 H new ATOM 0 HG2 LYS A 10 16.666 -12.704 3.940 1.00 0.00 H new ATOM 0 HG3 LYS A 10 18.307 -12.421 3.396 1.00 0.00 H new ATOM 0 HD2 LYS A 10 19.260 -13.250 5.370 1.00 0.00 H new ATOM 0 HD3 LYS A 10 17.834 -12.910 6.330 1.00 0.00 H new ATOM 0 HE2 LYS A 10 17.658 -14.935 4.097 1.00 0.00 H new ATOM 0 HE3 LYS A 10 18.416 -15.394 5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 16.133 -15.952 5.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 16.355 -14.601 6.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 15.636 -14.415 5.224 1.00 0.00 H new ATOM 119 N CYS A 11 14.311 -11.077 3.460 1.00 0.00 N ATOM 120 CA CYS A 11 12.976 -11.601 3.719 1.00 0.00 C ATOM 121 C CYS A 11 13.028 -12.757 4.713 1.00 0.00 C ATOM 122 O CYS A 11 13.789 -13.708 4.534 1.00 0.00 O ATOM 123 CB CYS A 11 12.326 -12.066 2.414 1.00 0.00 C ATOM 124 SG CYS A 11 10.510 -11.924 2.395 1.00 0.00 S ATOM 0 H CYS A 11 14.583 -11.082 2.477 1.00 0.00 H new ATOM 0 HA CYS A 11 12.377 -10.800 4.151 1.00 0.00 H new ATOM 0 HB2 CYS A 11 12.734 -11.482 1.589 1.00 0.00 H new ATOM 0 HB3 CYS A 11 12.600 -13.106 2.234 1.00 0.00 H new ATOM 129 N GLU A 12 12.215 -12.667 5.761 1.00 0.00 N ATOM 130 CA GLU A 12 12.170 -13.705 6.784 1.00 0.00 C ATOM 131 C GLU A 12 10.969 -14.624 6.575 1.00 0.00 C ATOM 132 O GLU A 12 11.060 -15.836 6.766 1.00 0.00 O ATOM 133 CB GLU A 12 12.109 -13.077 8.178 1.00 0.00 C ATOM 134 CG GLU A 12 10.951 -12.110 8.359 1.00 0.00 C ATOM 135 CD GLU A 12 10.814 -11.626 9.789 1.00 0.00 C ATOM 136 OE1 GLU A 12 11.816 -11.126 10.344 1.00 0.00 O ATOM 137 OE2 GLU A 12 9.707 -11.745 10.354 1.00 0.00 O ATOM 0 H GLU A 12 11.579 -11.886 5.924 1.00 0.00 H new ATOM 0 HA GLU A 12 13.080 -14.300 6.701 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.029 -13.870 8.921 1.00 0.00 H new ATOM 0 HB3 GLU A 12 13.044 -12.552 8.372 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.092 -11.253 7.701 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.025 -12.597 8.054 1.00 0.00 H new ATOM 144 N VAL A 13 9.844 -14.036 6.181 1.00 0.00 N ATOM 145 CA VAL A 13 8.624 -14.799 5.945 1.00 0.00 C ATOM 146 C VAL A 13 8.909 -16.048 5.119 1.00 0.00 C ATOM 147 O VAL A 13 8.370 -17.122 5.389 1.00 0.00 O ATOM 148 CB VAL A 13 7.561 -13.951 5.223 1.00 0.00 C ATOM 149 CG1 VAL A 13 6.844 -13.041 6.209 1.00 0.00 C ATOM 150 CG2 VAL A 13 8.197 -13.141 4.103 1.00 0.00 C ATOM 0 H VAL A 13 9.752 -13.033 6.018 1.00 0.00 H new ATOM 0 HA VAL A 13 8.240 -15.092 6.922 1.00 0.00 H new ATOM 0 HB VAL A 13 6.824 -14.622 4.782 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.096 -12.449 5.681 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.355 -13.646 6.973 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.566 -12.375 6.681 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.431 -12.547 3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.956 -12.478 4.519 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.660 -13.816 3.383 1.00 0.00 H new ATOM 160 N CYS A 14 9.761 -15.902 4.110 1.00 0.00 N ATOM 161 CA CYS A 14 10.119 -17.017 3.242 1.00 0.00 C ATOM 162 C CYS A 14 11.586 -17.397 3.423 1.00 0.00 C ATOM 163 O CYS A 14 11.943 -18.574 3.380 1.00 0.00 O ATOM 164 CB CYS A 14 9.850 -16.660 1.779 1.00 0.00 C ATOM 165 SG CYS A 14 10.876 -15.295 1.146 1.00 0.00 S ATOM 0 H CYS A 14 10.217 -15.021 3.873 1.00 0.00 H new ATOM 0 HA CYS A 14 9.503 -17.872 3.519 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.020 -17.543 1.163 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.799 -16.392 1.669 1.00 0.00 H new ATOM 170 N GLY A 15 12.432 -16.392 3.625 1.00 0.00 N ATOM 171 CA GLY A 15 13.850 -16.640 3.809 1.00 0.00 C ATOM 172 C GLY A 15 14.660 -16.320 2.568 1.00 0.00 C ATOM 173 O GLY A 15 15.740 -16.875 2.362 1.00 0.00 O ATOM 0 H GLY A 15 12.161 -15.410 3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 15 14.216 -16.040 4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 15 14.001 -17.685 4.078 1.00 0.00 H new ATOM 177 N LYS A 16 14.139 -15.422 1.739 1.00 0.00 N ATOM 178 CA LYS A 16 14.820 -15.028 0.511 1.00 0.00 C ATOM 179 C LYS A 16 15.719 -13.820 0.752 1.00 0.00 C ATOM 180 O LYS A 16 15.323 -12.862 1.417 1.00 0.00 O ATOM 181 CB LYS A 16 13.799 -14.707 -0.583 1.00 0.00 C ATOM 182 CG LYS A 16 14.328 -14.922 -1.990 1.00 0.00 C ATOM 183 CD LYS A 16 13.199 -15.153 -2.981 1.00 0.00 C ATOM 184 CE LYS A 16 13.711 -15.180 -4.413 1.00 0.00 C ATOM 185 NZ LYS A 16 14.116 -16.551 -4.831 1.00 0.00 N ATOM 0 H LYS A 16 13.247 -14.953 1.895 1.00 0.00 H new ATOM 0 HA LYS A 16 15.441 -15.863 0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.915 -15.328 -0.437 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.480 -13.670 -0.478 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.911 -14.054 -2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 16 15.002 -15.778 -1.999 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.701 -16.096 -2.754 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.453 -14.365 -2.875 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.935 -14.810 -5.083 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.562 -14.505 -4.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.459 -16.528 -5.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.874 -16.894 -4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.298 -17.190 -4.765 1.00 0.00 H new ATOM 199 N CYS A 17 16.930 -13.871 0.207 1.00 0.00 N ATOM 200 CA CYS A 17 17.885 -12.779 0.363 1.00 0.00 C ATOM 201 C CYS A 17 17.767 -11.786 -0.789 1.00 0.00 C ATOM 202 O CYS A 17 17.616 -12.176 -1.947 1.00 0.00 O ATOM 203 CB CYS A 17 19.311 -13.328 0.435 1.00 0.00 C ATOM 204 SG CYS A 17 20.514 -12.167 1.122 1.00 0.00 S ATOM 0 H CYS A 17 17.273 -14.656 -0.346 1.00 0.00 H new ATOM 0 HA CYS A 17 17.656 -12.258 1.293 1.00 0.00 H new ATOM 0 HB2 CYS A 17 19.310 -14.234 1.040 1.00 0.00 H new ATOM 0 HB3 CYS A 17 19.630 -13.615 -0.567 1.00 0.00 H new ATOM 0 HG CYS A 17 21.689 -12.722 1.144 1.00 0.00 H new ATOM 210 N PHE A 18 17.835 -10.499 -0.462 1.00 0.00 N ATOM 211 CA PHE A 18 17.734 -9.449 -1.469 1.00 0.00 C ATOM 212 C PHE A 18 18.742 -8.336 -1.197 1.00 0.00 C ATOM 213 O PHE A 18 18.868 -7.860 -0.069 1.00 0.00 O ATOM 214 CB PHE A 18 16.316 -8.873 -1.494 1.00 0.00 C ATOM 215 CG PHE A 18 15.311 -9.784 -2.139 1.00 0.00 C ATOM 216 CD1 PHE A 18 15.252 -9.906 -3.518 1.00 0.00 C ATOM 217 CD2 PHE A 18 14.425 -10.517 -1.367 1.00 0.00 C ATOM 218 CE1 PHE A 18 14.328 -10.743 -4.114 1.00 0.00 C ATOM 219 CE2 PHE A 18 13.498 -11.356 -1.957 1.00 0.00 C ATOM 220 CZ PHE A 18 13.450 -11.469 -3.333 1.00 0.00 C ATOM 0 H PHE A 18 17.959 -10.159 0.492 1.00 0.00 H new ATOM 0 HA PHE A 18 17.958 -9.889 -2.441 1.00 0.00 H new ATOM 0 HB2 PHE A 18 16.000 -8.662 -0.472 1.00 0.00 H new ATOM 0 HB3 PHE A 18 16.328 -7.922 -2.027 1.00 0.00 H new ATOM 0 HD1 PHE A 18 15.936 -9.341 -4.134 1.00 0.00 H new ATOM 0 HD2 PHE A 18 14.459 -10.432 -0.291 1.00 0.00 H new ATOM 0 HE1 PHE A 18 14.292 -10.829 -5.190 1.00 0.00 H new ATOM 0 HE2 PHE A 18 12.813 -11.922 -1.343 1.00 0.00 H new ATOM 0 HZ PHE A 18 12.727 -12.124 -3.797 1.00 0.00 H new ATOM 230 N SER A 19 19.458 -7.927 -2.240 1.00 0.00 N ATOM 231 CA SER A 19 20.459 -6.874 -2.114 1.00 0.00 C ATOM 232 C SER A 19 19.794 -5.508 -1.971 1.00 0.00 C ATOM 233 O SER A 19 20.166 -4.712 -1.109 1.00 0.00 O ATOM 234 CB SER A 19 21.388 -6.877 -3.329 1.00 0.00 C ATOM 235 OG SER A 19 21.947 -8.162 -3.541 1.00 0.00 O ATOM 0 H SER A 19 19.363 -8.309 -3.181 1.00 0.00 H new ATOM 0 HA SER A 19 21.046 -7.069 -1.217 1.00 0.00 H new ATOM 0 HB2 SER A 19 20.834 -6.567 -4.215 1.00 0.00 H new ATOM 0 HB3 SER A 19 22.186 -6.150 -3.182 1.00 0.00 H new ATOM 0 HG SER A 19 22.535 -8.138 -4.324 1.00 0.00 H new ATOM 241 N ARG A 20 18.809 -5.244 -2.823 1.00 0.00 N ATOM 242 CA ARG A 20 18.093 -3.975 -2.794 1.00 0.00 C ATOM 243 C ARG A 20 17.012 -3.985 -1.717 1.00 0.00 C ATOM 244 O ARG A 20 16.481 -5.039 -1.365 1.00 0.00 O ATOM 245 CB ARG A 20 17.465 -3.687 -4.159 1.00 0.00 C ATOM 246 CG ARG A 20 18.450 -3.137 -5.178 1.00 0.00 C ATOM 247 CD ARG A 20 18.983 -1.776 -4.759 1.00 0.00 C ATOM 248 NE ARG A 20 19.651 -1.087 -5.860 1.00 0.00 N ATOM 249 CZ ARG A 20 20.496 -0.076 -5.690 1.00 0.00 C ATOM 250 NH1 ARG A 20 20.775 0.361 -4.470 1.00 0.00 N ATOM 251 NH2 ARG A 20 21.063 0.500 -6.742 1.00 0.00 N ATOM 0 H ARG A 20 18.489 -5.893 -3.542 1.00 0.00 H new ATOM 0 HA ARG A 20 18.810 -3.188 -2.558 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.027 -4.606 -4.549 1.00 0.00 H new ATOM 0 HB3 ARG A 20 16.650 -2.974 -4.032 1.00 0.00 H new ATOM 0 HG2 ARG A 20 19.280 -3.833 -5.296 1.00 0.00 H new ATOM 0 HG3 ARG A 20 17.962 -3.055 -6.149 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.160 -1.162 -4.393 1.00 0.00 H new ATOM 0 HD3 ARG A 20 19.682 -1.899 -3.931 1.00 0.00 H new ATOM 0 HE ARG A 20 19.458 -1.399 -6.812 1.00 0.00 H new ATOM 0 HH11 ARG A 20 20.341 -0.079 -3.659 1.00 0.00 H new ATOM 0 HH12 ARG A 20 21.424 1.137 -4.342 1.00 0.00 H new ATOM 0 HH21 ARG A 20 20.850 0.167 -7.682 1.00 0.00 H new ATOM 0 HH22 ARG A 20 21.712 1.276 -6.611 1.00 0.00 H new ATOM 265 N LYS A 21 16.691 -2.805 -1.197 1.00 0.00 N ATOM 266 CA LYS A 21 15.673 -2.677 -0.161 1.00 0.00 C ATOM 267 C LYS A 21 14.273 -2.706 -0.766 1.00 0.00 C ATOM 268 O LYS A 21 13.335 -3.224 -0.161 1.00 0.00 O ATOM 269 CB LYS A 21 15.874 -1.378 0.623 1.00 0.00 C ATOM 270 CG LYS A 21 14.780 -1.105 1.640 1.00 0.00 C ATOM 271 CD LYS A 21 15.170 0.013 2.592 1.00 0.00 C ATOM 272 CE LYS A 21 13.956 0.583 3.310 1.00 0.00 C ATOM 273 NZ LYS A 21 13.447 -0.343 4.359 1.00 0.00 N ATOM 0 H LYS A 21 17.121 -1.923 -1.476 1.00 0.00 H new ATOM 0 HA LYS A 21 15.774 -3.524 0.518 1.00 0.00 H new ATOM 0 HB2 LYS A 21 16.834 -1.419 1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 21 15.923 -0.545 -0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.859 -0.838 1.122 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.575 -2.013 2.208 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.884 -0.364 3.325 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.672 0.806 2.037 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.218 1.538 3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.166 0.781 2.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.935 0.200 5.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.803 -1.037 3.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.246 -0.841 4.800 1.00 0.00 H new ATOM 287 N ASP A 22 14.140 -2.148 -1.965 1.00 0.00 N ATOM 288 CA ASP A 22 12.856 -2.112 -2.653 1.00 0.00 C ATOM 289 C ASP A 22 12.515 -3.479 -3.240 1.00 0.00 C ATOM 290 O ASP A 22 11.367 -3.920 -3.189 1.00 0.00 O ATOM 291 CB ASP A 22 12.876 -1.058 -3.762 1.00 0.00 C ATOM 292 CG ASP A 22 14.031 -1.252 -4.724 1.00 0.00 C ATOM 293 OD1 ASP A 22 13.959 -2.179 -5.559 1.00 0.00 O ATOM 294 OD2 ASP A 22 15.007 -0.477 -4.643 1.00 0.00 O ATOM 0 H ASP A 22 14.906 -1.715 -2.480 1.00 0.00 H new ATOM 0 HA ASP A 22 12.089 -1.847 -1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.937 -1.098 -4.314 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.942 -0.066 -3.315 1.00 0.00 H new ATOM 299 N LYS A 23 13.521 -4.144 -3.799 1.00 0.00 N ATOM 300 CA LYS A 23 13.330 -5.460 -4.396 1.00 0.00 C ATOM 301 C LYS A 23 12.559 -6.379 -3.453 1.00 0.00 C ATOM 302 O LYS A 23 11.601 -7.038 -3.858 1.00 0.00 O ATOM 303 CB LYS A 23 14.682 -6.087 -4.743 1.00 0.00 C ATOM 304 CG LYS A 23 15.166 -5.753 -6.143 1.00 0.00 C ATOM 305 CD LYS A 23 15.947 -6.906 -6.753 1.00 0.00 C ATOM 306 CE LYS A 23 15.041 -8.086 -7.071 1.00 0.00 C ATOM 307 NZ LYS A 23 15.759 -9.147 -7.830 1.00 0.00 N ATOM 0 H LYS A 23 14.477 -3.792 -3.851 1.00 0.00 H new ATOM 0 HA LYS A 23 12.749 -5.335 -5.310 1.00 0.00 H new ATOM 0 HB2 LYS A 23 15.425 -5.750 -4.021 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.607 -7.170 -4.642 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.312 -5.515 -6.777 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.795 -4.864 -6.109 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.442 -6.570 -7.664 1.00 0.00 H new ATOM 0 HD3 LYS A 23 16.730 -7.222 -6.063 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.650 -8.504 -6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.185 -7.741 -7.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.108 -9.934 -8.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.110 -8.755 -8.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.561 -9.495 -7.266 1.00 0.00 H new ATOM 321 N LEU A 24 12.982 -6.416 -2.194 1.00 0.00 N ATOM 322 CA LEU A 24 12.330 -7.253 -1.193 1.00 0.00 C ATOM 323 C LEU A 24 10.981 -6.667 -0.788 1.00 0.00 C ATOM 324 O LEU A 24 10.020 -7.399 -0.550 1.00 0.00 O ATOM 325 CB LEU A 24 13.226 -7.400 0.039 1.00 0.00 C ATOM 326 CG LEU A 24 12.513 -7.728 1.351 1.00 0.00 C ATOM 327 CD1 LEU A 24 13.431 -8.514 2.275 1.00 0.00 C ATOM 328 CD2 LEU A 24 12.034 -6.454 2.031 1.00 0.00 C ATOM 0 H LEU A 24 13.773 -5.876 -1.842 1.00 0.00 H new ATOM 0 HA LEU A 24 12.161 -8.237 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.957 -8.183 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.781 -6.472 0.173 1.00 0.00 H new ATOM 0 HG LEU A 24 11.643 -8.345 1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.907 -8.739 3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.725 -9.445 1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 24 14.320 -7.922 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.529 -6.707 2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 24 12.889 -5.812 2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.341 -5.929 1.374 1.00 0.00 H new ATOM 340 N LYS A 25 10.916 -5.342 -0.713 1.00 0.00 N ATOM 341 CA LYS A 25 9.685 -4.656 -0.341 1.00 0.00 C ATOM 342 C LYS A 25 8.521 -5.116 -1.212 1.00 0.00 C ATOM 343 O LYS A 25 7.528 -5.646 -0.711 1.00 0.00 O ATOM 344 CB LYS A 25 9.863 -3.141 -0.468 1.00 0.00 C ATOM 345 CG LYS A 25 10.386 -2.482 0.796 1.00 0.00 C ATOM 346 CD LYS A 25 10.535 -0.980 0.622 1.00 0.00 C ATOM 347 CE LYS A 25 9.213 -0.260 0.838 1.00 0.00 C ATOM 348 NZ LYS A 25 9.313 1.191 0.520 1.00 0.00 N ATOM 0 H LYS A 25 11.702 -4.722 -0.905 1.00 0.00 H new ATOM 0 HA LYS A 25 9.460 -4.904 0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.550 -2.932 -1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.906 -2.692 -0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.706 -2.688 1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.350 -2.916 1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.275 -0.603 1.327 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.909 -0.764 -0.379 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.445 -0.716 0.214 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.897 -0.384 1.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.391 1.646 0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.028 1.632 1.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.590 1.310 -0.475 1.00 0.00 H new ATOM 362 N THR A 26 8.649 -4.913 -2.520 1.00 0.00 N ATOM 363 CA THR A 26 7.608 -5.307 -3.460 1.00 0.00 C ATOM 364 C THR A 26 7.471 -6.824 -3.525 1.00 0.00 C ATOM 365 O THR A 26 6.365 -7.354 -3.631 1.00 0.00 O ATOM 366 CB THR A 26 7.895 -4.768 -4.874 1.00 0.00 C ATOM 367 OG1 THR A 26 8.093 -3.351 -4.827 1.00 0.00 O ATOM 368 CG2 THR A 26 6.749 -5.094 -5.820 1.00 0.00 C ATOM 0 H THR A 26 9.464 -4.478 -2.952 1.00 0.00 H new ATOM 0 HA THR A 26 6.675 -4.876 -3.097 1.00 0.00 H new ATOM 0 HB THR A 26 8.800 -5.249 -5.246 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.277 -3.016 -5.730 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.974 -4.704 -6.812 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.620 -6.175 -5.876 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.831 -4.638 -5.450 1.00 0.00 H new ATOM 376 N HIS A 27 8.603 -7.519 -3.460 1.00 0.00 N ATOM 377 CA HIS A 27 8.609 -8.977 -3.510 1.00 0.00 C ATOM 378 C HIS A 27 7.547 -9.556 -2.581 1.00 0.00 C ATOM 379 O HIS A 27 6.926 -10.573 -2.890 1.00 0.00 O ATOM 380 CB HIS A 27 9.987 -9.515 -3.126 1.00 0.00 C ATOM 381 CG HIS A 27 9.948 -10.882 -2.515 1.00 0.00 C ATOM 382 ND1 HIS A 27 9.708 -12.027 -3.245 1.00 0.00 N ATOM 383 CD2 HIS A 27 10.120 -11.284 -1.234 1.00 0.00 C ATOM 384 CE1 HIS A 27 9.733 -13.074 -2.440 1.00 0.00 C ATOM 385 NE2 HIS A 27 9.982 -12.650 -1.214 1.00 0.00 N ATOM 0 H HIS A 27 9.527 -7.096 -3.373 1.00 0.00 H new ATOM 0 HA HIS A 27 8.379 -9.283 -4.531 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.618 -9.541 -4.014 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.454 -8.825 -2.423 1.00 0.00 H new ATOM 0 HD1 HIS A 27 9.538 -12.060 -4.250 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.327 -10.649 -0.386 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.577 -14.101 -2.734 1.00 0.00 H new ATOM 393 N MET A 28 7.344 -8.904 -1.441 1.00 0.00 N ATOM 394 CA MET A 28 6.356 -9.355 -0.467 1.00 0.00 C ATOM 395 C MET A 28 4.971 -9.445 -1.100 1.00 0.00 C ATOM 396 O MET A 28 4.182 -10.328 -0.764 1.00 0.00 O ATOM 397 CB MET A 28 6.321 -8.406 0.733 1.00 0.00 C ATOM 398 CG MET A 28 7.659 -8.275 1.443 1.00 0.00 C ATOM 399 SD MET A 28 7.480 -7.911 3.200 1.00 0.00 S ATOM 400 CE MET A 28 8.611 -9.105 3.909 1.00 0.00 C ATOM 0 H MET A 28 7.850 -8.062 -1.169 1.00 0.00 H new ATOM 0 HA MET A 28 6.646 -10.349 -0.126 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.999 -7.420 0.397 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.575 -8.760 1.444 1.00 0.00 H new ATOM 0 HG2 MET A 28 8.222 -9.201 1.323 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.241 -7.485 0.970 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.612 -9.005 4.994 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.294 -10.112 3.638 1.00 0.00 H new ATOM 0 HE3 MET A 28 9.616 -8.926 3.527 1.00 0.00 H new ATOM 410 N ARG A 29 4.683 -8.526 -2.016 1.00 0.00 N ATOM 411 CA ARG A 29 3.392 -8.501 -2.693 1.00 0.00 C ATOM 412 C ARG A 29 2.842 -9.914 -2.866 1.00 0.00 C ATOM 413 O ARG A 29 1.650 -10.155 -2.668 1.00 0.00 O ATOM 414 CB ARG A 29 3.522 -7.823 -4.058 1.00 0.00 C ATOM 415 CG ARG A 29 3.419 -6.308 -3.998 1.00 0.00 C ATOM 416 CD ARG A 29 3.137 -5.713 -5.368 1.00 0.00 C ATOM 417 NE ARG A 29 1.707 -5.679 -5.667 1.00 0.00 N ATOM 418 CZ ARG A 29 0.882 -4.746 -5.205 1.00 0.00 C ATOM 419 NH1 ARG A 29 1.342 -3.775 -4.428 1.00 0.00 N ATOM 420 NH2 ARG A 29 -0.406 -4.783 -5.521 1.00 0.00 N ATOM 0 H ARG A 29 5.326 -7.789 -2.306 1.00 0.00 H new ATOM 0 HA ARG A 29 2.697 -7.932 -2.076 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.480 -8.096 -4.500 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.745 -8.206 -4.720 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.626 -6.024 -3.307 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.348 -5.895 -3.605 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.541 -4.702 -5.414 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.653 -6.297 -6.130 1.00 0.00 H new ATOM 0 HE ARG A 29 1.321 -6.412 -6.263 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.332 -3.743 -4.184 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.706 -3.060 -4.075 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.763 -5.528 -6.119 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.039 -4.066 -5.166 1.00 0.00 H new ATOM 434 N CYS A 30 3.717 -10.843 -3.235 1.00 0.00 N ATOM 435 CA CYS A 30 3.318 -12.232 -3.436 1.00 0.00 C ATOM 436 C CYS A 30 2.750 -12.825 -2.151 1.00 0.00 C ATOM 437 O CYS A 30 1.574 -13.185 -2.088 1.00 0.00 O ATOM 438 CB CYS A 30 4.511 -13.063 -3.912 1.00 0.00 C ATOM 439 SG CYS A 30 5.063 -12.668 -5.588 1.00 0.00 S ATOM 0 H CYS A 30 4.707 -10.660 -3.401 1.00 0.00 H new ATOM 0 HA CYS A 30 2.541 -12.255 -4.200 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.342 -12.914 -3.223 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.245 -14.119 -3.868 1.00 0.00 H new ATOM 0 HG CYS A 30 6.076 -13.420 -5.900 1.00 0.00 H new ATOM 445 N HIS A 31 3.593 -12.926 -1.128 1.00 0.00 N ATOM 446 CA HIS A 31 3.175 -13.477 0.156 1.00 0.00 C ATOM 447 C HIS A 31 1.743 -13.064 0.485 1.00 0.00 C ATOM 448 O HIS A 31 0.826 -13.885 0.459 1.00 0.00 O ATOM 449 CB HIS A 31 4.119 -13.014 1.266 1.00 0.00 C ATOM 450 CG HIS A 31 5.554 -13.363 1.015 1.00 0.00 C ATOM 451 ND1 HIS A 31 5.948 -14.534 0.403 1.00 0.00 N ATOM 452 CD2 HIS A 31 6.692 -12.687 1.297 1.00 0.00 C ATOM 453 CE1 HIS A 31 7.266 -14.563 0.320 1.00 0.00 C ATOM 454 NE2 HIS A 31 7.742 -13.454 0.856 1.00 0.00 N ATOM 0 H HIS A 31 4.570 -12.633 -1.163 1.00 0.00 H new ATOM 0 HA HIS A 31 3.214 -14.564 0.086 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.031 -11.934 1.380 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.804 -13.461 2.209 1.00 0.00 H new ATOM 0 HD1 HIS A 31 5.320 -15.264 0.067 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.761 -11.723 1.779 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.854 -15.359 -0.113 1.00 0.00 H new ATOM 462 N THR A 32 1.558 -11.784 0.794 1.00 0.00 N ATOM 463 CA THR A 32 0.240 -11.262 1.130 1.00 0.00 C ATOM 464 C THR A 32 0.232 -9.738 1.114 1.00 0.00 C ATOM 465 O THR A 32 1.004 -9.096 1.825 1.00 0.00 O ATOM 466 CB THR A 32 -0.223 -11.752 2.515 1.00 0.00 C ATOM 467 OG1 THR A 32 -1.647 -11.649 2.621 1.00 0.00 O ATOM 468 CG2 THR A 32 0.433 -10.942 3.623 1.00 0.00 C ATOM 0 H THR A 32 2.305 -11.090 0.818 1.00 0.00 H new ATOM 0 HA THR A 32 -0.449 -11.634 0.372 1.00 0.00 H new ATOM 0 HB THR A 32 0.074 -12.795 2.624 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.933 -11.964 3.504 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.091 -11.306 4.592 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.516 -11.047 3.558 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.163 -9.892 3.514 1.00 0.00 H new ATOM 476 N GLY A 33 -0.648 -9.163 0.299 1.00 0.00 N ATOM 477 CA GLY A 33 -0.740 -7.718 0.207 1.00 0.00 C ATOM 478 C GLY A 33 -2.165 -7.239 0.011 1.00 0.00 C ATOM 479 O GLY A 33 -2.905 -7.057 0.978 1.00 0.00 O ATOM 0 H GLY A 33 -1.299 -9.673 -0.299 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.332 -7.273 1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.126 -7.370 -0.623 1.00 0.00 H new ATOM 483 N VAL A 34 -2.551 -7.033 -1.244 1.00 0.00 N ATOM 484 CA VAL A 34 -3.897 -6.571 -1.564 1.00 0.00 C ATOM 485 C VAL A 34 -4.644 -7.599 -2.405 1.00 0.00 C ATOM 486 O VAL A 34 -4.476 -7.662 -3.623 1.00 0.00 O ATOM 487 CB VAL A 34 -3.865 -5.230 -2.320 1.00 0.00 C ATOM 488 CG1 VAL A 34 -3.438 -4.103 -1.392 1.00 0.00 C ATOM 489 CG2 VAL A 34 -2.939 -5.319 -3.524 1.00 0.00 C ATOM 0 H VAL A 34 -1.951 -7.179 -2.056 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.418 -6.432 -0.617 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.871 -5.012 -2.679 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.421 -3.163 -1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.144 -4.025 -0.565 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.442 -4.311 -1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.929 -4.362 -4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.930 -5.561 -3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.294 -6.097 -4.199 1.00 0.00 H new ATOM 499 N LYS A 35 -5.472 -8.404 -1.748 1.00 0.00 N ATOM 500 CA LYS A 35 -6.249 -9.429 -2.435 1.00 0.00 C ATOM 501 C LYS A 35 -7.736 -9.284 -2.126 1.00 0.00 C ATOM 502 O LYS A 35 -8.174 -9.427 -0.985 1.00 0.00 O ATOM 503 CB LYS A 35 -5.767 -10.823 -2.026 1.00 0.00 C ATOM 504 CG LYS A 35 -4.471 -11.240 -2.700 1.00 0.00 C ATOM 505 CD LYS A 35 -3.258 -10.759 -1.921 1.00 0.00 C ATOM 506 CE LYS A 35 -1.962 -11.250 -2.549 1.00 0.00 C ATOM 507 NZ LYS A 35 -1.504 -10.356 -3.648 1.00 0.00 N ATOM 0 H LYS A 35 -5.622 -8.366 -0.740 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.104 -9.300 -3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.629 -10.848 -0.945 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.542 -11.551 -2.265 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.440 -12.326 -2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.439 -10.835 -3.711 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.256 -9.670 -1.885 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.322 -11.112 -0.892 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.188 -11.311 -1.784 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.106 -12.258 -2.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.661 -10.823 -4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.040 -9.466 -3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.491 -10.154 -3.531 1.00 0.00 H new ATOM 521 N PRO A 36 -8.531 -8.993 -3.166 1.00 0.00 N ATOM 522 CA PRO A 36 -9.981 -8.824 -3.031 1.00 0.00 C ATOM 523 C PRO A 36 -10.692 -10.139 -2.728 1.00 0.00 C ATOM 524 O PRO A 36 -11.724 -10.157 -2.055 1.00 0.00 O ATOM 525 CB PRO A 36 -10.405 -8.290 -4.401 1.00 0.00 C ATOM 526 CG PRO A 36 -9.359 -8.782 -5.340 1.00 0.00 C ATOM 527 CD PRO A 36 -8.077 -8.808 -4.554 1.00 0.00 C ATOM 0 HA PRO A 36 -10.239 -8.164 -2.203 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.392 -8.657 -4.681 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.458 -7.201 -4.402 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.607 -9.775 -5.715 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.273 -8.126 -6.206 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.425 -9.621 -4.875 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.514 -7.882 -4.673 1.00 0.00 H new ATOM 535 N TYR A 37 -10.135 -11.236 -3.228 1.00 0.00 N ATOM 536 CA TYR A 37 -10.718 -12.555 -3.012 1.00 0.00 C ATOM 537 C TYR A 37 -10.140 -13.208 -1.760 1.00 0.00 C ATOM 538 O TYR A 37 -9.131 -13.911 -1.821 1.00 0.00 O ATOM 539 CB TYR A 37 -10.470 -13.450 -4.228 1.00 0.00 C ATOM 540 CG TYR A 37 -10.752 -12.769 -5.548 1.00 0.00 C ATOM 541 CD1 TYR A 37 -12.022 -12.292 -5.849 1.00 0.00 C ATOM 542 CD2 TYR A 37 -9.749 -12.604 -6.496 1.00 0.00 C ATOM 543 CE1 TYR A 37 -12.285 -11.670 -7.054 1.00 0.00 C ATOM 544 CE2 TYR A 37 -10.002 -11.982 -7.703 1.00 0.00 C ATOM 545 CZ TYR A 37 -11.272 -11.517 -7.978 1.00 0.00 C ATOM 546 OH TYR A 37 -11.528 -10.898 -9.180 1.00 0.00 O ATOM 0 H TYR A 37 -9.281 -11.238 -3.785 1.00 0.00 H new ATOM 0 HA TYR A 37 -11.792 -12.431 -2.872 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -9.433 -13.786 -4.216 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -11.094 -14.340 -4.147 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -12.817 -12.410 -5.128 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.754 -12.969 -6.285 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -13.278 -11.305 -7.272 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.210 -11.860 -8.428 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.054 -11.496 -9.751 1.00 0.00 H new ATOM 556 N LYS A 38 -10.788 -12.970 -0.625 1.00 0.00 N ATOM 557 CA LYS A 38 -10.342 -13.535 0.643 1.00 0.00 C ATOM 558 C LYS A 38 -11.480 -14.275 1.339 1.00 0.00 C ATOM 559 O LYS A 38 -12.622 -13.816 1.344 1.00 0.00 O ATOM 560 CB LYS A 38 -9.805 -12.430 1.557 1.00 0.00 C ATOM 561 CG LYS A 38 -8.337 -12.114 1.330 1.00 0.00 C ATOM 562 CD LYS A 38 -7.896 -10.905 2.137 1.00 0.00 C ATOM 563 CE LYS A 38 -7.496 -11.294 3.552 1.00 0.00 C ATOM 564 NZ LYS A 38 -6.780 -10.191 4.250 1.00 0.00 N ATOM 0 H LYS A 38 -11.624 -12.390 -0.557 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.543 -14.246 0.434 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.391 -11.524 1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.948 -12.728 2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.731 -12.977 1.606 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.164 -11.928 0.270 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.055 -10.422 1.640 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.706 -10.176 2.174 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.386 -11.565 4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.858 -12.177 3.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.525 -10.496 5.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.917 -9.949 3.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.398 -9.356 4.305 1.00 0.00 H new ATOM 578 N CYS A 39 -11.161 -15.424 1.927 1.00 0.00 N ATOM 579 CA CYS A 39 -12.155 -16.228 2.626 1.00 0.00 C ATOM 580 C CYS A 39 -12.719 -15.472 3.827 1.00 0.00 C ATOM 581 O CYS A 39 -12.010 -14.709 4.483 1.00 0.00 O ATOM 582 CB CYS A 39 -11.540 -17.551 3.086 1.00 0.00 C ATOM 583 SG CYS A 39 -12.763 -18.837 3.495 1.00 0.00 S ATOM 0 H CYS A 39 -10.220 -15.819 1.933 1.00 0.00 H new ATOM 0 HA CYS A 39 -12.970 -16.436 1.933 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -10.883 -17.926 2.301 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.918 -17.365 3.961 1.00 0.00 H new ATOM 588 N LYS A 40 -13.999 -15.691 4.108 1.00 0.00 N ATOM 589 CA LYS A 40 -14.659 -15.033 5.230 1.00 0.00 C ATOM 590 C LYS A 40 -14.151 -15.584 6.558 1.00 0.00 C ATOM 591 O LYS A 40 -13.759 -14.827 7.447 1.00 0.00 O ATOM 592 CB LYS A 40 -16.175 -15.218 5.135 1.00 0.00 C ATOM 593 CG LYS A 40 -16.870 -14.138 4.324 1.00 0.00 C ATOM 594 CD LYS A 40 -18.237 -14.594 3.842 1.00 0.00 C ATOM 595 CE LYS A 40 -18.133 -15.414 2.565 1.00 0.00 C ATOM 596 NZ LYS A 40 -19.389 -15.360 1.768 1.00 0.00 N ATOM 0 H LYS A 40 -14.600 -16.319 3.574 1.00 0.00 H new ATOM 0 HA LYS A 40 -14.425 -13.969 5.185 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -16.387 -16.189 4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -16.595 -15.232 6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.979 -13.239 4.931 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -16.252 -13.871 3.467 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -18.718 -15.188 4.619 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -18.871 -13.725 3.667 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -17.304 -15.044 1.962 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -17.906 -16.450 2.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.278 -15.931 0.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.176 -15.737 2.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -19.592 -14.374 1.506 1.00 0.00 H new ATOM 610 N THR A 41 -14.161 -16.907 6.688 1.00 0.00 N ATOM 611 CA THR A 41 -13.701 -17.559 7.908 1.00 0.00 C ATOM 612 C THR A 41 -12.179 -17.594 7.973 1.00 0.00 C ATOM 613 O THR A 41 -11.579 -17.184 8.967 1.00 0.00 O ATOM 614 CB THR A 41 -14.242 -18.997 8.015 1.00 0.00 C ATOM 615 OG1 THR A 41 -15.674 -18.985 8.000 1.00 0.00 O ATOM 616 CG2 THR A 41 -13.749 -19.667 9.288 1.00 0.00 C ATOM 0 H THR A 41 -14.483 -17.548 5.963 1.00 0.00 H new ATOM 0 HA THR A 41 -14.084 -16.972 8.743 1.00 0.00 H new ATOM 0 HB THR A 41 -13.875 -19.564 7.159 1.00 0.00 H new ATOM 0 HG1 THR A 41 -16.010 -19.903 8.067 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.144 -20.681 9.342 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.660 -19.702 9.283 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.090 -19.099 10.154 1.00 0.00 H new ATOM 624 N CYS A 42 -11.557 -18.086 6.906 1.00 0.00 N ATOM 625 CA CYS A 42 -10.104 -18.175 6.840 1.00 0.00 C ATOM 626 C CYS A 42 -9.497 -16.849 6.390 1.00 0.00 C ATOM 627 O CYS A 42 -10.215 -15.924 6.008 1.00 0.00 O ATOM 628 CB CYS A 42 -9.683 -19.292 5.883 1.00 0.00 C ATOM 629 SG CYS A 42 -10.790 -20.738 5.896 1.00 0.00 S ATOM 0 H CYS A 42 -12.038 -18.429 6.075 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.734 -18.403 7.839 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.639 -18.891 4.870 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.675 -19.617 6.142 1.00 0.00 H new ATOM 634 N ASP A 43 -8.172 -16.764 6.438 1.00 0.00 N ATOM 635 CA ASP A 43 -7.469 -15.552 6.034 1.00 0.00 C ATOM 636 C ASP A 43 -6.567 -15.822 4.834 1.00 0.00 C ATOM 637 O ASP A 43 -5.442 -15.327 4.766 1.00 0.00 O ATOM 638 CB ASP A 43 -6.639 -15.007 7.198 1.00 0.00 C ATOM 639 CG ASP A 43 -7.498 -14.587 8.374 1.00 0.00 C ATOM 640 OD1 ASP A 43 -8.127 -13.511 8.295 1.00 0.00 O ATOM 641 OD2 ASP A 43 -7.541 -15.333 9.375 1.00 0.00 O ATOM 0 H ASP A 43 -7.563 -17.520 6.753 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.213 -14.808 5.748 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.930 -15.769 7.523 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.055 -14.153 6.855 1.00 0.00 H new ATOM 646 N TYR A 44 -7.068 -16.611 3.890 1.00 0.00 N ATOM 647 CA TYR A 44 -6.307 -16.950 2.693 1.00 0.00 C ATOM 648 C TYR A 44 -6.477 -15.880 1.618 1.00 0.00 C ATOM 649 O TYR A 44 -7.589 -15.426 1.350 1.00 0.00 O ATOM 650 CB TYR A 44 -6.749 -18.309 2.150 1.00 0.00 C ATOM 651 CG TYR A 44 -6.442 -18.504 0.682 1.00 0.00 C ATOM 652 CD1 TYR A 44 -5.132 -18.619 0.236 1.00 0.00 C ATOM 653 CD2 TYR A 44 -7.463 -18.575 -0.258 1.00 0.00 C ATOM 654 CE1 TYR A 44 -4.847 -18.796 -1.104 1.00 0.00 C ATOM 655 CE2 TYR A 44 -7.188 -18.753 -1.600 1.00 0.00 C ATOM 656 CZ TYR A 44 -5.878 -18.863 -2.018 1.00 0.00 C ATOM 657 OH TYR A 44 -5.598 -19.041 -3.354 1.00 0.00 O ATOM 0 H TYR A 44 -7.998 -17.028 3.930 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.253 -17.001 2.966 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.259 -19.096 2.723 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.822 -18.422 2.306 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -4.322 -18.569 0.949 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.490 -18.490 0.066 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.822 -18.881 -1.434 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.994 -18.806 -2.317 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.018 -19.869 -3.669 1.00 0.00 H new ATOM 667 N ALA A 45 -5.366 -15.484 1.006 1.00 0.00 N ATOM 668 CA ALA A 45 -5.391 -14.471 -0.041 1.00 0.00 C ATOM 669 C ALA A 45 -5.288 -15.107 -1.423 1.00 0.00 C ATOM 670 O ALA A 45 -4.327 -15.816 -1.720 1.00 0.00 O ATOM 671 CB ALA A 45 -4.265 -13.469 0.166 1.00 0.00 C ATOM 0 H ALA A 45 -4.437 -15.849 1.217 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.345 -13.946 0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.296 -12.718 -0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.384 -12.983 1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.307 -13.987 0.136 1.00 0.00 H new ATOM 677 N ALA A 46 -6.284 -14.849 -2.264 1.00 0.00 N ATOM 678 CA ALA A 46 -6.304 -15.396 -3.615 1.00 0.00 C ATOM 679 C ALA A 46 -6.241 -14.285 -4.658 1.00 0.00 C ATOM 680 O ALA A 46 -7.053 -13.360 -4.643 1.00 0.00 O ATOM 681 CB ALA A 46 -7.548 -16.247 -3.822 1.00 0.00 C ATOM 0 H ALA A 46 -7.088 -14.265 -2.034 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.423 -16.025 -3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.549 -16.649 -4.835 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.550 -17.069 -3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.437 -15.634 -3.674 1.00 0.00 H new ATOM 687 N ALA A 47 -5.272 -14.383 -5.562 1.00 0.00 N ATOM 688 CA ALA A 47 -5.105 -13.387 -6.613 1.00 0.00 C ATOM 689 C ALA A 47 -6.285 -13.404 -7.579 1.00 0.00 C ATOM 690 O ALA A 47 -6.937 -12.383 -7.796 1.00 0.00 O ATOM 691 CB ALA A 47 -3.803 -13.625 -7.364 1.00 0.00 C ATOM 0 H ALA A 47 -4.591 -15.142 -5.588 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.067 -12.404 -6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.691 -12.874 -8.146 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.965 -13.554 -6.671 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.819 -14.618 -7.814 1.00 0.00 H new ATOM 697 N ASP A 48 -6.554 -14.570 -8.157 1.00 0.00 N ATOM 698 CA ASP A 48 -7.656 -14.720 -9.100 1.00 0.00 C ATOM 699 C ASP A 48 -8.876 -15.330 -8.417 1.00 0.00 C ATOM 700 O ASP A 48 -8.746 -16.139 -7.499 1.00 0.00 O ATOM 701 CB ASP A 48 -7.229 -15.592 -10.282 1.00 0.00 C ATOM 702 CG ASP A 48 -8.212 -15.527 -11.434 1.00 0.00 C ATOM 703 OD1 ASP A 48 -9.213 -16.273 -11.402 1.00 0.00 O ATOM 704 OD2 ASP A 48 -7.980 -14.731 -12.368 1.00 0.00 O ATOM 0 H ASP A 48 -6.024 -15.425 -7.989 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.925 -13.730 -9.467 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.246 -15.273 -10.629 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.130 -16.626 -9.950 1.00 0.00 H new ATOM 709 N SER A 49 -10.061 -14.934 -8.871 1.00 0.00 N ATOM 710 CA SER A 49 -11.305 -15.438 -8.300 1.00 0.00 C ATOM 711 C SER A 49 -11.279 -16.960 -8.200 1.00 0.00 C ATOM 712 O SER A 49 -11.601 -17.530 -7.157 1.00 0.00 O ATOM 713 CB SER A 49 -12.497 -14.991 -9.148 1.00 0.00 C ATOM 714 OG SER A 49 -12.735 -13.602 -9.003 1.00 0.00 O ATOM 0 H SER A 49 -10.186 -14.266 -9.632 1.00 0.00 H new ATOM 0 HA SER A 49 -11.408 -15.027 -7.296 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.309 -15.223 -10.196 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.386 -15.548 -8.853 1.00 0.00 H new ATOM 0 HG SER A 49 -12.139 -13.238 -8.316 1.00 0.00 H new ATOM 720 N SER A 50 -10.895 -17.612 -9.292 1.00 0.00 N ATOM 721 CA SER A 50 -10.830 -19.069 -9.330 1.00 0.00 C ATOM 722 C SER A 50 -10.206 -19.618 -8.051 1.00 0.00 C ATOM 723 O SER A 50 -10.790 -20.466 -7.376 1.00 0.00 O ATOM 724 CB SER A 50 -10.025 -19.533 -10.544 1.00 0.00 C ATOM 725 OG SER A 50 -8.748 -18.919 -10.575 1.00 0.00 O ATOM 0 H SER A 50 -10.624 -17.155 -10.163 1.00 0.00 H new ATOM 0 HA SER A 50 -11.847 -19.452 -9.410 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.910 -20.617 -10.515 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.569 -19.294 -11.458 1.00 0.00 H new ATOM 0 HG SER A 50 -8.841 -17.986 -10.860 1.00 0.00 H new ATOM 731 N SER A 51 -9.014 -19.129 -7.724 1.00 0.00 N ATOM 732 CA SER A 51 -8.307 -19.573 -6.529 1.00 0.00 C ATOM 733 C SER A 51 -9.257 -19.667 -5.339 1.00 0.00 C ATOM 734 O SER A 51 -9.224 -20.635 -4.578 1.00 0.00 O ATOM 735 CB SER A 51 -7.158 -18.615 -6.204 1.00 0.00 C ATOM 736 OG SER A 51 -5.992 -18.952 -6.934 1.00 0.00 O ATOM 0 H SER A 51 -8.518 -18.425 -8.270 1.00 0.00 H new ATOM 0 HA SER A 51 -7.899 -20.565 -6.726 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.455 -17.593 -6.439 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.944 -18.648 -5.136 1.00 0.00 H new ATOM 0 HG SER A 51 -5.273 -18.325 -6.710 1.00 0.00 H new ATOM 742 N LEU A 52 -10.103 -18.654 -5.184 1.00 0.00 N ATOM 743 CA LEU A 52 -11.064 -18.621 -4.087 1.00 0.00 C ATOM 744 C LEU A 52 -12.217 -19.585 -4.344 1.00 0.00 C ATOM 745 O LEU A 52 -12.636 -20.320 -3.450 1.00 0.00 O ATOM 746 CB LEU A 52 -11.603 -17.202 -3.899 1.00 0.00 C ATOM 747 CG LEU A 52 -12.136 -16.865 -2.506 1.00 0.00 C ATOM 748 CD1 LEU A 52 -10.988 -16.695 -1.522 1.00 0.00 C ATOM 749 CD2 LEU A 52 -12.992 -15.608 -2.551 1.00 0.00 C ATOM 0 H LEU A 52 -10.143 -17.845 -5.804 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.551 -18.932 -3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.807 -16.498 -4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.403 -17.040 -4.621 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.759 -17.692 -2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.386 -16.456 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.416 -17.621 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.338 -15.886 -1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -13.362 -15.384 -1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.392 -14.772 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.835 -15.766 -3.223 1.00 0.00 H new ATOM 761 N ASN A 53 -12.726 -19.579 -5.572 1.00 0.00 N ATOM 762 CA ASN A 53 -13.830 -20.455 -5.947 1.00 0.00 C ATOM 763 C ASN A 53 -13.558 -21.890 -5.509 1.00 0.00 C ATOM 764 O ASN A 53 -14.475 -22.622 -5.136 1.00 0.00 O ATOM 765 CB ASN A 53 -14.056 -20.405 -7.459 1.00 0.00 C ATOM 766 CG ASN A 53 -15.022 -19.308 -7.864 1.00 0.00 C ATOM 767 OD1 ASN A 53 -16.211 -19.556 -8.066 1.00 0.00 O ATOM 768 ND2 ASN A 53 -14.513 -18.087 -7.985 1.00 0.00 N ATOM 0 H ASN A 53 -12.391 -18.977 -6.324 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.729 -20.104 -5.440 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.101 -20.248 -7.961 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.440 -21.367 -7.798 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.114 -17.308 -8.255 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.521 -17.928 -7.808 1.00 0.00 H new ATOM 775 N LYS A 54 -12.291 -22.288 -5.557 1.00 0.00 N ATOM 776 CA LYS A 54 -11.896 -23.635 -5.163 1.00 0.00 C ATOM 777 C LYS A 54 -11.750 -23.739 -3.648 1.00 0.00 C ATOM 778 O LYS A 54 -12.018 -24.787 -3.059 1.00 0.00 O ATOM 779 CB LYS A 54 -10.579 -24.021 -5.841 1.00 0.00 C ATOM 780 CG LYS A 54 -9.872 -25.189 -5.175 1.00 0.00 C ATOM 781 CD LYS A 54 -9.046 -24.736 -3.984 1.00 0.00 C ATOM 782 CE LYS A 54 -7.846 -25.644 -3.759 1.00 0.00 C ATOM 783 NZ LYS A 54 -8.178 -26.791 -2.870 1.00 0.00 N ATOM 0 H LYS A 54 -11.520 -21.696 -5.865 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.678 -24.324 -5.482 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.777 -24.273 -6.883 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.914 -23.157 -5.842 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.609 -25.923 -4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.226 -25.685 -5.899 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.705 -23.713 -4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.669 -24.727 -3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.490 -26.019 -4.718 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.032 -25.068 -3.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.335 -27.386 -2.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.494 -26.434 -1.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.938 -27.356 -3.301 1.00 0.00 H new ATOM 797 N HIS A 55 -11.325 -22.646 -3.023 1.00 0.00 N ATOM 798 CA HIS A 55 -11.146 -22.613 -1.576 1.00 0.00 C ATOM 799 C HIS A 55 -12.491 -22.694 -0.860 1.00 0.00 C ATOM 800 O HIS A 55 -12.621 -23.362 0.167 1.00 0.00 O ATOM 801 CB HIS A 55 -10.409 -21.340 -1.160 1.00 0.00 C ATOM 802 CG HIS A 55 -10.121 -21.267 0.308 1.00 0.00 C ATOM 803 ND1 HIS A 55 -9.015 -21.852 0.887 1.00 0.00 N ATOM 804 CD2 HIS A 55 -10.801 -20.672 1.315 1.00 0.00 C ATOM 805 CE1 HIS A 55 -9.028 -21.621 2.188 1.00 0.00 C ATOM 806 NE2 HIS A 55 -10.101 -20.906 2.473 1.00 0.00 N ATOM 0 H HIS A 55 -11.098 -21.771 -3.496 1.00 0.00 H new ATOM 0 HA HIS A 55 -10.549 -23.479 -1.289 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -9.470 -21.278 -1.710 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -11.005 -20.474 -1.448 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -8.299 -22.380 0.389 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -11.723 -20.116 1.225 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.287 -21.959 2.897 1.00 0.00 H new ATOM 814 N LEU A 56 -13.489 -22.008 -1.407 1.00 0.00 N ATOM 815 CA LEU A 56 -14.825 -22.001 -0.821 1.00 0.00 C ATOM 816 C LEU A 56 -15.471 -23.379 -0.921 1.00 0.00 C ATOM 817 O LEU A 56 -16.363 -23.715 -0.142 1.00 0.00 O ATOM 818 CB LEU A 56 -15.704 -20.961 -1.518 1.00 0.00 C ATOM 819 CG LEU A 56 -15.136 -19.543 -1.591 1.00 0.00 C ATOM 820 CD1 LEU A 56 -15.889 -18.720 -2.624 1.00 0.00 C ATOM 821 CD2 LEU A 56 -15.196 -18.874 -0.225 1.00 0.00 C ATOM 0 H LEU A 56 -13.398 -21.449 -2.256 1.00 0.00 H new ATOM 0 HA LEU A 56 -14.731 -21.740 0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -15.903 -21.304 -2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -16.663 -20.921 -1.002 1.00 0.00 H new ATOM 0 HG LEU A 56 -14.092 -19.605 -1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -15.471 -17.714 -2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -15.794 -19.190 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -16.942 -18.665 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -14.788 -17.866 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.232 -18.823 0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -14.611 -19.453 0.490 1.00 0.00 H new ATOM 833 N ARG A 57 -15.012 -24.173 -1.883 1.00 0.00 N ATOM 834 CA ARG A 57 -15.545 -25.516 -2.084 1.00 0.00 C ATOM 835 C ARG A 57 -15.171 -26.429 -0.920 1.00 0.00 C ATOM 836 O ARG A 57 -16.011 -27.164 -0.401 1.00 0.00 O ATOM 837 CB ARG A 57 -15.022 -26.104 -3.396 1.00 0.00 C ATOM 838 CG ARG A 57 -15.766 -25.609 -4.625 1.00 0.00 C ATOM 839 CD ARG A 57 -15.382 -26.400 -5.865 1.00 0.00 C ATOM 840 NE ARG A 57 -14.250 -25.801 -6.567 1.00 0.00 N ATOM 841 CZ ARG A 57 -14.325 -24.660 -7.244 1.00 0.00 C ATOM 842 NH1 ARG A 57 -15.472 -23.999 -7.310 1.00 0.00 N ATOM 843 NH2 ARG A 57 -13.251 -24.179 -7.857 1.00 0.00 N ATOM 0 H ARG A 57 -14.273 -23.910 -2.535 1.00 0.00 H new ATOM 0 HA ARG A 57 -16.632 -25.445 -2.133 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.965 -25.859 -3.498 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -15.094 -27.191 -3.351 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -16.840 -25.690 -4.459 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -15.547 -24.553 -4.783 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -15.132 -27.422 -5.580 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -16.237 -26.457 -6.538 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.353 -26.285 -6.536 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -16.300 -24.366 -6.840 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.527 -23.123 -7.830 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.367 -24.685 -7.809 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.310 -23.303 -8.376 1.00 0.00 H new ATOM 857 N ILE A 58 -13.906 -26.377 -0.516 1.00 0.00 N ATOM 858 CA ILE A 58 -13.422 -27.199 0.586 1.00 0.00 C ATOM 859 C ILE A 58 -14.365 -27.124 1.782 1.00 0.00 C ATOM 860 O ILE A 58 -14.557 -28.109 2.497 1.00 0.00 O ATOM 861 CB ILE A 58 -12.011 -26.770 1.031 1.00 0.00 C ATOM 862 CG1 ILE A 58 -12.100 -25.689 2.110 1.00 0.00 C ATOM 863 CG2 ILE A 58 -11.209 -26.271 -0.162 1.00 0.00 C ATOM 864 CD1 ILE A 58 -10.779 -25.008 2.393 1.00 0.00 C ATOM 0 H ILE A 58 -13.198 -25.774 -0.935 1.00 0.00 H new ATOM 0 HA ILE A 58 -13.382 -28.225 0.221 1.00 0.00 H new ATOM 0 HB ILE A 58 -11.499 -27.635 1.452 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.828 -24.938 1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.474 -26.136 3.031 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.214 -25.971 0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -11.122 -27.068 -0.901 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -11.716 -25.416 -0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.917 -24.254 3.168 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.054 -25.748 2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -10.413 -24.531 1.484 1.00 0.00 H new ATOM 876 N HIS A 59 -14.952 -25.951 1.994 1.00 0.00 N ATOM 877 CA HIS A 59 -15.877 -25.748 3.103 1.00 0.00 C ATOM 878 C HIS A 59 -17.194 -26.477 2.852 1.00 0.00 C ATOM 879 O HIS A 59 -17.337 -27.197 1.865 1.00 0.00 O ATOM 880 CB HIS A 59 -16.138 -24.256 3.311 1.00 0.00 C ATOM 881 CG HIS A 59 -14.918 -23.485 3.711 1.00 0.00 C ATOM 882 ND1 HIS A 59 -14.477 -23.397 5.015 1.00 0.00 N ATOM 883 CD2 HIS A 59 -14.043 -22.765 2.971 1.00 0.00 C ATOM 884 CE1 HIS A 59 -13.385 -22.655 5.059 1.00 0.00 C ATOM 885 NE2 HIS A 59 -13.101 -22.259 3.831 1.00 0.00 N ATOM 0 H HIS A 59 -14.804 -25.126 1.412 1.00 0.00 H new ATOM 0 HA HIS A 59 -15.421 -26.158 4.004 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -16.539 -23.834 2.390 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -16.903 -24.133 4.077 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -14.924 -23.836 5.820 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.079 -22.616 1.902 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -12.821 -22.413 5.947 1.00 0.00 H new ATOM 893 N SER A 60 -18.153 -26.284 3.752 1.00 0.00 N ATOM 894 CA SER A 60 -19.456 -26.926 3.631 1.00 0.00 C ATOM 895 C SER A 60 -20.579 -25.898 3.726 1.00 0.00 C ATOM 896 O SER A 60 -20.951 -25.468 4.818 1.00 0.00 O ATOM 897 CB SER A 60 -19.628 -27.989 4.718 1.00 0.00 C ATOM 898 OG SER A 60 -18.624 -28.984 4.622 1.00 0.00 O ATOM 0 H SER A 60 -18.052 -25.688 4.573 1.00 0.00 H new ATOM 0 HA SER A 60 -19.508 -27.405 2.653 1.00 0.00 H new ATOM 0 HB2 SER A 60 -19.586 -27.519 5.701 1.00 0.00 H new ATOM 0 HB3 SER A 60 -20.611 -28.450 4.627 1.00 0.00 H new ATOM 0 HG SER A 60 -18.755 -29.650 5.329 1.00 0.00 H new ATOM 904 N ASP A 61 -21.115 -25.509 2.575 1.00 0.00 N ATOM 905 CA ASP A 61 -22.197 -24.532 2.527 1.00 0.00 C ATOM 906 C ASP A 61 -23.271 -24.958 1.530 1.00 0.00 C ATOM 907 O ASP A 61 -22.981 -25.634 0.544 1.00 0.00 O ATOM 908 CB ASP A 61 -21.652 -23.153 2.150 1.00 0.00 C ATOM 909 CG ASP A 61 -20.532 -22.703 3.067 1.00 0.00 C ATOM 910 OD1 ASP A 61 -19.383 -23.146 2.860 1.00 0.00 O ATOM 911 OD2 ASP A 61 -20.804 -21.909 3.991 1.00 0.00 O ATOM 0 H ASP A 61 -20.818 -25.855 1.662 1.00 0.00 H new ATOM 0 HA ASP A 61 -22.648 -24.478 3.518 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -21.289 -23.177 1.123 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -22.461 -22.424 2.185 1.00 0.00 H new ATOM 916 N GLU A 62 -24.510 -24.559 1.796 1.00 0.00 N ATOM 917 CA GLU A 62 -25.626 -24.902 0.923 1.00 0.00 C ATOM 918 C GLU A 62 -25.523 -24.162 -0.408 1.00 0.00 C ATOM 919 O GLU A 62 -25.619 -24.768 -1.476 1.00 0.00 O ATOM 920 CB GLU A 62 -26.956 -24.568 1.602 1.00 0.00 C ATOM 921 CG GLU A 62 -27.161 -25.286 2.925 1.00 0.00 C ATOM 922 CD GLU A 62 -27.649 -26.710 2.746 1.00 0.00 C ATOM 923 OE1 GLU A 62 -28.874 -26.904 2.601 1.00 0.00 O ATOM 924 OE2 GLU A 62 -26.806 -27.631 2.752 1.00 0.00 O ATOM 0 H GLU A 62 -24.766 -23.998 2.609 1.00 0.00 H new ATOM 0 HA GLU A 62 -25.585 -25.974 0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -27.008 -23.492 1.770 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -27.773 -24.825 0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -26.222 -25.295 3.479 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -27.881 -24.732 3.527 1.00 0.00 H new ATOM 931 N ARG A 63 -25.327 -22.850 -0.336 1.00 0.00 N ATOM 932 CA ARG A 63 -25.213 -22.027 -1.534 1.00 0.00 C ATOM 933 C ARG A 63 -26.046 -22.606 -2.673 1.00 0.00 C ATOM 934 O ARG A 63 -25.552 -22.855 -3.773 1.00 0.00 O ATOM 935 CB ARG A 63 -23.749 -21.916 -1.964 1.00 0.00 C ATOM 936 CG ARG A 63 -22.935 -23.169 -1.685 1.00 0.00 C ATOM 937 CD ARG A 63 -23.072 -24.183 -2.810 1.00 0.00 C ATOM 938 NE ARG A 63 -22.468 -25.467 -2.466 1.00 0.00 N ATOM 939 CZ ARG A 63 -22.561 -26.551 -3.229 1.00 0.00 C ATOM 940 NH1 ARG A 63 -23.230 -26.506 -4.372 1.00 0.00 N ATOM 941 NH2 ARG A 63 -21.984 -27.683 -2.847 1.00 0.00 N ATOM 0 H ARG A 63 -25.244 -22.334 0.540 1.00 0.00 H new ATOM 0 HA ARG A 63 -25.592 -21.033 -1.299 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -23.708 -21.697 -3.031 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -23.290 -21.073 -1.448 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -21.886 -22.902 -1.560 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -23.264 -23.617 -0.747 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -24.127 -24.329 -3.040 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -22.601 -23.791 -3.711 1.00 0.00 H new ATOM 0 HE ARG A 63 -21.946 -25.536 -1.592 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -23.675 -25.638 -4.668 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -23.300 -27.340 -4.955 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -21.469 -27.721 -1.967 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -22.056 -28.515 -3.433 1.00 0.00 H new ATOM 955 N PRO A 64 -27.342 -22.828 -2.405 1.00 0.00 N ATOM 956 CA PRO A 64 -28.271 -23.381 -3.395 1.00 0.00 C ATOM 957 C PRO A 64 -28.571 -22.397 -4.521 1.00 0.00 C ATOM 958 O PRO A 64 -29.240 -22.740 -5.497 1.00 0.00 O ATOM 959 CB PRO A 64 -29.535 -23.659 -2.578 1.00 0.00 C ATOM 960 CG PRO A 64 -29.461 -22.712 -1.431 1.00 0.00 C ATOM 961 CD PRO A 64 -27.999 -22.556 -1.116 1.00 0.00 C ATOM 0 HA PRO A 64 -27.863 -24.263 -3.889 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -30.434 -23.493 -3.171 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -29.566 -24.693 -2.236 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -29.909 -21.752 -1.688 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -30.007 -23.098 -0.570 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -27.771 -21.554 -0.752 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -27.677 -23.256 -0.345 1.00 0.00 H new ATOM 969 N PHE A 65 -28.071 -21.174 -4.381 1.00 0.00 N ATOM 970 CA PHE A 65 -28.286 -20.140 -5.387 1.00 0.00 C ATOM 971 C PHE A 65 -27.004 -19.864 -6.166 1.00 0.00 C ATOM 972 O PHE A 65 -25.906 -19.896 -5.609 1.00 0.00 O ATOM 973 CB PHE A 65 -28.783 -18.852 -4.727 1.00 0.00 C ATOM 974 CG PHE A 65 -30.099 -19.010 -4.021 1.00 0.00 C ATOM 975 CD1 PHE A 65 -30.157 -19.556 -2.749 1.00 0.00 C ATOM 976 CD2 PHE A 65 -31.279 -18.611 -4.629 1.00 0.00 C ATOM 977 CE1 PHE A 65 -31.366 -19.702 -2.096 1.00 0.00 C ATOM 978 CE2 PHE A 65 -32.491 -18.754 -3.981 1.00 0.00 C ATOM 979 CZ PHE A 65 -32.535 -19.302 -2.713 1.00 0.00 C ATOM 0 H PHE A 65 -27.514 -20.874 -3.581 1.00 0.00 H new ATOM 0 HA PHE A 65 -29.043 -20.498 -6.084 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -28.035 -18.507 -4.012 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -28.878 -18.077 -5.487 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -29.246 -19.871 -2.262 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -31.251 -18.184 -5.620 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -31.397 -20.128 -1.104 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -33.403 -18.438 -4.465 1.00 0.00 H new ATOM 0 HZ PHE A 65 -33.481 -19.417 -2.206 1.00 0.00 H new ATOM 989 N LYS A 66 -27.150 -19.593 -7.458 1.00 0.00 N ATOM 990 CA LYS A 66 -26.005 -19.310 -8.316 1.00 0.00 C ATOM 991 C LYS A 66 -26.340 -18.218 -9.327 1.00 0.00 C ATOM 992 O LYS A 66 -27.504 -18.007 -9.666 1.00 0.00 O ATOM 993 CB LYS A 66 -25.565 -20.579 -9.048 1.00 0.00 C ATOM 994 CG LYS A 66 -25.297 -21.754 -8.122 1.00 0.00 C ATOM 995 CD LYS A 66 -26.563 -22.547 -7.847 1.00 0.00 C ATOM 996 CE LYS A 66 -26.306 -23.689 -6.876 1.00 0.00 C ATOM 997 NZ LYS A 66 -27.505 -24.556 -6.709 1.00 0.00 N ATOM 0 H LYS A 66 -28.051 -19.563 -7.935 1.00 0.00 H new ATOM 0 HA LYS A 66 -25.188 -18.959 -7.686 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -26.336 -20.861 -9.765 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -24.662 -20.364 -9.619 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -24.547 -22.407 -8.569 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -24.883 -21.390 -7.182 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -27.326 -21.885 -7.438 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -26.955 -22.945 -8.783 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -25.471 -24.290 -7.235 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -26.014 -23.283 -5.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -27.317 -25.271 -5.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -28.318 -23.973 -6.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -27.719 -25.030 -7.610 1.00 0.00 H new ATOM 1011 N CYS A 67 -25.311 -17.526 -9.805 1.00 0.00 N ATOM 1012 CA CYS A 67 -25.494 -16.456 -10.778 1.00 0.00 C ATOM 1013 C CYS A 67 -25.126 -16.928 -12.182 1.00 0.00 C ATOM 1014 O CYS A 67 -24.264 -17.790 -12.351 1.00 0.00 O ATOM 1015 CB CYS A 67 -24.646 -15.241 -10.398 1.00 0.00 C ATOM 1016 SG CYS A 67 -24.627 -13.924 -11.656 1.00 0.00 S ATOM 0 H CYS A 67 -24.341 -17.688 -9.534 1.00 0.00 H new ATOM 0 HA CYS A 67 -26.546 -16.172 -10.773 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -25.021 -14.828 -9.461 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -23.623 -15.569 -10.215 1.00 0.00 H new ATOM 1021 N GLN A 68 -25.785 -16.356 -13.184 1.00 0.00 N ATOM 1022 CA GLN A 68 -25.527 -16.718 -14.573 1.00 0.00 C ATOM 1023 C GLN A 68 -24.245 -16.064 -15.077 1.00 0.00 C ATOM 1024 O GLN A 68 -23.294 -16.749 -15.454 1.00 0.00 O ATOM 1025 CB GLN A 68 -26.706 -16.307 -15.457 1.00 0.00 C ATOM 1026 CG GLN A 68 -27.885 -17.263 -15.381 1.00 0.00 C ATOM 1027 CD GLN A 68 -29.083 -16.776 -16.172 1.00 0.00 C ATOM 1028 OE1 GLN A 68 -29.153 -15.610 -16.560 1.00 0.00 O ATOM 1029 NE2 GLN A 68 -30.035 -17.670 -16.417 1.00 0.00 N ATOM 0 H GLN A 68 -26.501 -15.640 -13.060 1.00 0.00 H new ATOM 0 HA GLN A 68 -25.405 -17.800 -14.623 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -27.038 -15.310 -15.166 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -26.368 -16.241 -16.491 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -27.580 -18.240 -15.755 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -28.173 -17.397 -14.338 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -29.936 -18.626 -16.077 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -30.864 -17.400 -16.946 1.00 0.00 H new ATOM 1038 N ILE A 69 -24.228 -14.735 -15.083 1.00 0.00 N ATOM 1039 CA ILE A 69 -23.063 -13.989 -15.540 1.00 0.00 C ATOM 1040 C ILE A 69 -21.788 -14.496 -14.875 1.00 0.00 C ATOM 1041 O ILE A 69 -20.891 -15.014 -15.540 1.00 0.00 O ATOM 1042 CB ILE A 69 -23.212 -12.482 -15.256 1.00 0.00 C ATOM 1043 CG1 ILE A 69 -24.473 -11.936 -15.930 1.00 0.00 C ATOM 1044 CG2 ILE A 69 -21.980 -11.728 -15.735 1.00 0.00 C ATOM 1045 CD1 ILE A 69 -25.710 -12.032 -15.064 1.00 0.00 C ATOM 0 H ILE A 69 -25.008 -14.153 -14.777 1.00 0.00 H new ATOM 0 HA ILE A 69 -22.994 -14.143 -16.617 1.00 0.00 H new ATOM 0 HB ILE A 69 -23.306 -12.338 -14.180 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -24.308 -10.893 -16.200 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -24.645 -12.482 -16.857 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -22.101 -10.665 -15.527 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -21.099 -12.102 -15.214 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -21.857 -11.876 -16.808 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -26.565 -11.627 -15.605 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -25.900 -13.076 -14.815 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -25.558 -11.462 -14.147 1.00 0.00 H new ATOM 1057 N CYS A 70 -21.716 -14.347 -13.556 1.00 0.00 N ATOM 1058 CA CYS A 70 -20.553 -14.791 -12.798 1.00 0.00 C ATOM 1059 C CYS A 70 -20.883 -16.031 -11.972 1.00 0.00 C ATOM 1060 O CYS A 70 -22.027 -16.258 -11.578 1.00 0.00 O ATOM 1061 CB CYS A 70 -20.057 -13.671 -11.882 1.00 0.00 C ATOM 1062 SG CYS A 70 -21.205 -13.252 -10.531 1.00 0.00 S ATOM 0 H CYS A 70 -22.450 -13.922 -12.990 1.00 0.00 H new ATOM 0 HA CYS A 70 -19.765 -15.047 -13.506 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -19.099 -13.965 -11.453 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -19.877 -12.779 -12.482 1.00 0.00 H new ATOM 1067 N PRO A 71 -19.858 -16.852 -11.701 1.00 0.00 N ATOM 1068 CA PRO A 71 -20.013 -18.082 -10.919 1.00 0.00 C ATOM 1069 C PRO A 71 -20.303 -17.800 -9.448 1.00 0.00 C ATOM 1070 O PRO A 71 -20.417 -18.722 -8.640 1.00 0.00 O ATOM 1071 CB PRO A 71 -18.657 -18.775 -11.073 1.00 0.00 C ATOM 1072 CG PRO A 71 -17.698 -17.671 -11.356 1.00 0.00 C ATOM 1073 CD PRO A 71 -18.467 -16.643 -12.139 1.00 0.00 C ATOM 0 HA PRO A 71 -20.855 -18.682 -11.266 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -18.383 -19.315 -10.167 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -18.674 -19.503 -11.884 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -17.309 -17.246 -10.431 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -16.842 -18.034 -11.925 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -18.124 -15.632 -11.920 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -18.357 -16.791 -13.213 1.00 0.00 H new ATOM 1081 N TYR A 72 -20.421 -16.521 -9.108 1.00 0.00 N ATOM 1082 CA TYR A 72 -20.696 -16.119 -7.734 1.00 0.00 C ATOM 1083 C TYR A 72 -21.774 -17.001 -7.113 1.00 0.00 C ATOM 1084 O TYR A 72 -22.563 -17.628 -7.820 1.00 0.00 O ATOM 1085 CB TYR A 72 -21.131 -14.653 -7.687 1.00 0.00 C ATOM 1086 CG TYR A 72 -21.590 -14.201 -6.319 1.00 0.00 C ATOM 1087 CD1 TYR A 72 -20.671 -13.872 -5.330 1.00 0.00 C ATOM 1088 CD2 TYR A 72 -22.942 -14.103 -6.016 1.00 0.00 C ATOM 1089 CE1 TYR A 72 -21.086 -13.460 -4.078 1.00 0.00 C ATOM 1090 CE2 TYR A 72 -23.366 -13.690 -4.768 1.00 0.00 C ATOM 1091 CZ TYR A 72 -22.434 -13.369 -3.802 1.00 0.00 C ATOM 1092 OH TYR A 72 -22.853 -12.959 -2.557 1.00 0.00 O ATOM 0 H TYR A 72 -20.331 -15.746 -9.765 1.00 0.00 H new ATOM 0 HA TYR A 72 -19.779 -16.238 -7.157 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -20.299 -14.026 -8.008 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -21.940 -14.500 -8.401 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -19.614 -13.939 -5.543 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -23.674 -14.354 -6.769 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -20.359 -13.211 -3.320 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -24.421 -13.619 -4.549 1.00 0.00 H new ATOM 0 HH TYR A 72 -23.833 -12.948 -2.529 1.00 0.00 H new ATOM 1102 N ALA A 73 -21.802 -17.043 -5.785 1.00 0.00 N ATOM 1103 CA ALA A 73 -22.785 -17.846 -5.066 1.00 0.00 C ATOM 1104 C ALA A 73 -23.135 -17.212 -3.724 1.00 0.00 C ATOM 1105 O ALA A 73 -22.307 -16.541 -3.109 1.00 0.00 O ATOM 1106 CB ALA A 73 -22.265 -19.261 -4.865 1.00 0.00 C ATOM 0 H ALA A 73 -21.156 -16.531 -5.185 1.00 0.00 H new ATOM 0 HA ALA A 73 -23.694 -17.887 -5.666 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -23.009 -19.849 -4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -22.073 -19.719 -5.835 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -21.340 -19.230 -4.288 1.00 0.00 H new ATOM 1112 N SER A 74 -24.368 -17.430 -3.276 1.00 0.00 N ATOM 1113 CA SER A 74 -24.829 -16.877 -2.008 1.00 0.00 C ATOM 1114 C SER A 74 -25.805 -17.828 -1.323 1.00 0.00 C ATOM 1115 O SER A 74 -26.514 -18.589 -1.983 1.00 0.00 O ATOM 1116 CB SER A 74 -25.496 -15.519 -2.233 1.00 0.00 C ATOM 1117 OG SER A 74 -25.672 -14.828 -1.008 1.00 0.00 O ATOM 0 H SER A 74 -25.065 -17.985 -3.772 1.00 0.00 H new ATOM 0 HA SER A 74 -23.962 -16.746 -1.360 1.00 0.00 H new ATOM 0 HB2 SER A 74 -24.887 -14.919 -2.909 1.00 0.00 H new ATOM 0 HB3 SER A 74 -26.463 -15.661 -2.716 1.00 0.00 H new ATOM 0 HG SER A 74 -25.063 -14.061 -0.975 1.00 0.00 H new ATOM 1123 N ARG A 75 -25.835 -17.780 0.005 1.00 0.00 N ATOM 1124 CA ARG A 75 -26.723 -18.638 0.780 1.00 0.00 C ATOM 1125 C ARG A 75 -28.143 -18.081 0.793 1.00 0.00 C ATOM 1126 O ARG A 75 -29.115 -18.830 0.706 1.00 0.00 O ATOM 1127 CB ARG A 75 -26.206 -18.780 2.213 1.00 0.00 C ATOM 1128 CG ARG A 75 -26.071 -17.455 2.946 1.00 0.00 C ATOM 1129 CD ARG A 75 -25.006 -17.523 4.029 1.00 0.00 C ATOM 1130 NE ARG A 75 -25.444 -18.311 5.178 1.00 0.00 N ATOM 1131 CZ ARG A 75 -24.623 -18.744 6.128 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -23.328 -18.467 6.066 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -25.097 -19.455 7.143 1.00 0.00 N ATOM 0 H ARG A 75 -25.255 -17.156 0.566 1.00 0.00 H new ATOM 0 HA ARG A 75 -26.741 -19.620 0.308 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -26.882 -19.427 2.772 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -25.235 -19.275 2.193 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -25.818 -16.669 2.235 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -27.028 -17.186 3.392 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -24.096 -17.959 3.616 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -24.756 -16.514 4.356 1.00 0.00 H new ATOM 0 HE ARG A 75 -26.435 -18.541 5.255 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -22.960 -17.920 5.287 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -22.700 -18.801 6.797 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -26.093 -19.670 7.194 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -24.466 -19.787 7.872 1.00 0.00 H new ATOM 1147 N ASN A 76 -28.255 -16.761 0.903 1.00 0.00 N ATOM 1148 CA ASN A 76 -29.556 -16.103 0.928 1.00 0.00 C ATOM 1149 C ASN A 76 -29.870 -15.466 -0.422 1.00 0.00 C ATOM 1150 O ASN A 76 -28.969 -15.040 -1.143 1.00 0.00 O ATOM 1151 CB ASN A 76 -29.592 -15.040 2.027 1.00 0.00 C ATOM 1152 CG ASN A 76 -28.494 -14.005 1.867 1.00 0.00 C ATOM 1153 OD1 ASN A 76 -28.727 -12.912 1.352 1.00 0.00 O ATOM 1154 ND2 ASN A 76 -27.290 -14.348 2.309 1.00 0.00 N ATOM 0 H ASN A 76 -27.460 -16.126 0.976 1.00 0.00 H new ATOM 0 HA ASN A 76 -30.313 -16.859 1.138 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -30.561 -14.542 2.015 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -29.493 -15.523 2.999 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -26.512 -13.694 2.228 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -27.143 -15.266 2.729 1.00 0.00 H new ATOM 1161 N SER A 77 -31.155 -15.405 -0.757 1.00 0.00 N ATOM 1162 CA SER A 77 -31.589 -14.823 -2.022 1.00 0.00 C ATOM 1163 C SER A 77 -31.343 -13.318 -2.039 1.00 0.00 C ATOM 1164 O SER A 77 -30.784 -12.780 -2.995 1.00 0.00 O ATOM 1165 CB SER A 77 -33.072 -15.112 -2.258 1.00 0.00 C ATOM 1166 OG SER A 77 -33.853 -14.719 -1.142 1.00 0.00 O ATOM 0 H SER A 77 -31.914 -15.751 -0.170 1.00 0.00 H new ATOM 0 HA SER A 77 -31.006 -15.278 -2.823 1.00 0.00 H new ATOM 0 HB2 SER A 77 -33.412 -14.582 -3.148 1.00 0.00 H new ATOM 0 HB3 SER A 77 -33.213 -16.176 -2.447 1.00 0.00 H new ATOM 0 HG SER A 77 -34.797 -14.913 -1.319 1.00 0.00 H new ATOM 1172 N SER A 78 -31.765 -12.643 -0.975 1.00 0.00 N ATOM 1173 CA SER A 78 -31.594 -11.198 -0.869 1.00 0.00 C ATOM 1174 C SER A 78 -30.279 -10.758 -1.505 1.00 0.00 C ATOM 1175 O SER A 78 -30.268 -9.962 -2.443 1.00 0.00 O ATOM 1176 CB SER A 78 -31.635 -10.766 0.598 1.00 0.00 C ATOM 1177 OG SER A 78 -32.809 -11.236 1.237 1.00 0.00 O ATOM 0 H SER A 78 -32.228 -13.073 -0.174 1.00 0.00 H new ATOM 0 HA SER A 78 -32.414 -10.719 -1.405 1.00 0.00 H new ATOM 0 HB2 SER A 78 -30.757 -11.149 1.117 1.00 0.00 H new ATOM 0 HB3 SER A 78 -31.594 -9.679 0.661 1.00 0.00 H new ATOM 0 HG SER A 78 -32.809 -10.948 2.174 1.00 0.00 H new ATOM 1183 N GLN A 79 -29.174 -11.283 -0.986 1.00 0.00 N ATOM 1184 CA GLN A 79 -27.853 -10.944 -1.503 1.00 0.00 C ATOM 1185 C GLN A 79 -27.817 -11.057 -3.023 1.00 0.00 C ATOM 1186 O GLN A 79 -27.329 -10.160 -3.711 1.00 0.00 O ATOM 1187 CB GLN A 79 -26.792 -11.857 -0.886 1.00 0.00 C ATOM 1188 CG GLN A 79 -26.201 -11.318 0.407 1.00 0.00 C ATOM 1189 CD GLN A 79 -24.880 -11.970 0.761 1.00 0.00 C ATOM 1190 OE1 GLN A 79 -24.754 -12.620 1.799 1.00 0.00 O ATOM 1191 NE2 GLN A 79 -23.885 -11.799 -0.102 1.00 0.00 N ATOM 0 H GLN A 79 -29.167 -11.944 -0.209 1.00 0.00 H new ATOM 0 HA GLN A 79 -27.637 -9.911 -1.230 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -27.234 -12.835 -0.694 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -25.989 -12.006 -1.608 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -26.057 -10.241 0.315 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -26.910 -11.477 1.220 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -24.034 -11.252 -0.950 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -22.972 -12.214 0.083 1.00 0.00 H new ATOM 1200 N LEU A 80 -28.337 -12.164 -3.541 1.00 0.00 N ATOM 1201 CA LEU A 80 -28.365 -12.395 -4.981 1.00 0.00 C ATOM 1202 C LEU A 80 -29.186 -11.322 -5.689 1.00 0.00 C ATOM 1203 O LEU A 80 -28.740 -10.732 -6.674 1.00 0.00 O ATOM 1204 CB LEU A 80 -28.943 -13.778 -5.285 1.00 0.00 C ATOM 1205 CG LEU A 80 -28.867 -14.232 -6.743 1.00 0.00 C ATOM 1206 CD1 LEU A 80 -27.429 -14.538 -7.133 1.00 0.00 C ATOM 1207 CD2 LEU A 80 -29.752 -15.449 -6.970 1.00 0.00 C ATOM 0 H LEU A 80 -28.745 -12.916 -2.985 1.00 0.00 H new ATOM 0 HA LEU A 80 -27.341 -12.347 -5.351 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -28.421 -14.511 -4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -29.988 -13.789 -4.976 1.00 0.00 H new ATOM 0 HG LEU A 80 -29.229 -13.421 -7.375 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -27.395 -14.860 -8.174 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -26.820 -13.642 -7.010 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -27.040 -15.332 -6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -29.685 -15.758 -8.013 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -29.420 -16.265 -6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -30.785 -15.197 -6.732 1.00 0.00 H new ATOM 1219 N THR A 81 -30.388 -11.071 -5.180 1.00 0.00 N ATOM 1220 CA THR A 81 -31.271 -10.069 -5.762 1.00 0.00 C ATOM 1221 C THR A 81 -30.512 -8.785 -6.078 1.00 0.00 C ATOM 1222 O THR A 81 -30.618 -8.245 -7.180 1.00 0.00 O ATOM 1223 CB THR A 81 -32.445 -9.739 -4.820 1.00 0.00 C ATOM 1224 OG1 THR A 81 -33.220 -10.917 -4.572 1.00 0.00 O ATOM 1225 CG2 THR A 81 -33.332 -8.659 -5.419 1.00 0.00 C ATOM 0 H THR A 81 -30.772 -11.549 -4.365 1.00 0.00 H new ATOM 0 HA THR A 81 -31.664 -10.493 -6.686 1.00 0.00 H new ATOM 0 HB THR A 81 -32.035 -9.370 -3.880 1.00 0.00 H new ATOM 0 HG1 THR A 81 -33.963 -10.699 -3.971 1.00 0.00 H new ATOM 0 HG21 THR A 81 -34.154 -8.443 -4.736 1.00 0.00 H new ATOM 0 HG22 THR A 81 -32.746 -7.754 -5.579 1.00 0.00 H new ATOM 0 HG23 THR A 81 -33.733 -9.005 -6.372 1.00 0.00 H new ATOM 1233 N VAL A 82 -29.746 -8.301 -5.106 1.00 0.00 N ATOM 1234 CA VAL A 82 -28.968 -7.081 -5.282 1.00 0.00 C ATOM 1235 C VAL A 82 -27.739 -7.333 -6.148 1.00 0.00 C ATOM 1236 O VAL A 82 -27.552 -6.689 -7.181 1.00 0.00 O ATOM 1237 CB VAL A 82 -28.517 -6.502 -3.927 1.00 0.00 C ATOM 1238 CG1 VAL A 82 -27.664 -5.260 -4.134 1.00 0.00 C ATOM 1239 CG2 VAL A 82 -29.723 -6.192 -3.053 1.00 0.00 C ATOM 0 H VAL A 82 -29.648 -8.735 -4.188 1.00 0.00 H new ATOM 0 HA VAL A 82 -29.618 -6.361 -5.779 1.00 0.00 H new ATOM 0 HB VAL A 82 -27.909 -7.249 -3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -27.355 -4.865 -3.166 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -26.781 -5.518 -4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -28.243 -4.505 -4.665 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -29.386 -5.784 -2.100 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -30.359 -5.463 -3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -30.289 -7.107 -2.876 1.00 0.00 H new ATOM 1249 N HIS A 83 -26.904 -8.275 -5.722 1.00 0.00 N ATOM 1250 CA HIS A 83 -25.692 -8.614 -6.460 1.00 0.00 C ATOM 1251 C HIS A 83 -25.918 -8.484 -7.963 1.00 0.00 C ATOM 1252 O HIS A 83 -25.067 -7.962 -8.686 1.00 0.00 O ATOM 1253 CB HIS A 83 -25.244 -10.035 -6.121 1.00 0.00 C ATOM 1254 CG HIS A 83 -24.455 -10.691 -7.212 1.00 0.00 C ATOM 1255 ND1 HIS A 83 -23.080 -10.791 -7.191 1.00 0.00 N ATOM 1256 CD2 HIS A 83 -24.856 -11.284 -8.361 1.00 0.00 C ATOM 1257 CE1 HIS A 83 -22.669 -11.415 -8.280 1.00 0.00 C ATOM 1258 NE2 HIS A 83 -23.728 -11.725 -9.007 1.00 0.00 N ATOM 0 H HIS A 83 -27.044 -8.817 -4.870 1.00 0.00 H new ATOM 0 HA HIS A 83 -24.909 -7.915 -6.166 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -24.642 -10.010 -5.213 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -26.123 -10.642 -5.904 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -22.475 -10.438 -6.450 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -25.874 -11.390 -8.705 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -21.642 -11.635 -8.533 1.00 0.00 H new ATOM 1266 N LEU A 84 -27.067 -8.961 -8.427 1.00 0.00 N ATOM 1267 CA LEU A 84 -27.404 -8.899 -9.845 1.00 0.00 C ATOM 1268 C LEU A 84 -27.333 -7.465 -10.360 1.00 0.00 C ATOM 1269 O LEU A 84 -26.697 -7.190 -11.377 1.00 0.00 O ATOM 1270 CB LEU A 84 -28.803 -9.469 -10.083 1.00 0.00 C ATOM 1271 CG LEU A 84 -28.960 -10.975 -9.866 1.00 0.00 C ATOM 1272 CD1 LEU A 84 -30.374 -11.305 -9.412 1.00 0.00 C ATOM 1273 CD2 LEU A 84 -28.615 -11.736 -11.137 1.00 0.00 C ATOM 0 H LEU A 84 -27.781 -9.395 -7.842 1.00 0.00 H new ATOM 0 HA LEU A 84 -26.676 -9.499 -10.392 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -29.501 -8.952 -9.424 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -29.099 -9.237 -11.106 1.00 0.00 H new ATOM 0 HG LEU A 84 -28.268 -11.283 -9.083 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -30.466 -12.381 -9.263 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -30.585 -10.789 -8.475 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -31.085 -10.982 -10.172 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -28.732 -12.806 -10.964 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -29.282 -11.423 -11.941 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -27.583 -11.525 -11.419 1.00 0.00 H new ATOM 1285 N ARG A 85 -27.989 -6.554 -9.648 1.00 0.00 N ATOM 1286 CA ARG A 85 -28.000 -5.147 -10.032 1.00 0.00 C ATOM 1287 C ARG A 85 -26.653 -4.733 -10.616 1.00 0.00 C ATOM 1288 O ARG A 85 -26.591 -4.046 -11.636 1.00 0.00 O ATOM 1289 CB ARG A 85 -28.337 -4.270 -8.825 1.00 0.00 C ATOM 1290 CG ARG A 85 -29.818 -4.245 -8.484 1.00 0.00 C ATOM 1291 CD ARG A 85 -30.059 -3.689 -7.089 1.00 0.00 C ATOM 1292 NE ARG A 85 -31.469 -3.388 -6.856 1.00 0.00 N ATOM 1293 CZ ARG A 85 -32.109 -2.376 -7.432 1.00 0.00 C ATOM 1294 NH1 ARG A 85 -31.468 -1.574 -8.271 1.00 0.00 N ATOM 1295 NH2 ARG A 85 -33.393 -2.167 -7.170 1.00 0.00 N ATOM 0 H ARG A 85 -28.519 -6.765 -8.803 1.00 0.00 H new ATOM 0 HA ARG A 85 -28.765 -5.010 -10.796 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -27.780 -4.628 -7.959 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -28.001 -3.252 -9.021 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -30.351 -3.638 -9.216 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -30.225 -5.254 -8.550 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -29.715 -4.410 -6.347 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -29.468 -2.784 -6.952 1.00 0.00 H new ATOM 0 HE ARG A 85 -31.991 -3.987 -6.216 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -30.481 -1.733 -8.475 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -31.961 -0.798 -8.712 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -33.889 -2.783 -6.526 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -33.884 -1.390 -7.612 1.00 0.00 H new ATOM 1309 N SER A 86 -25.575 -5.155 -9.962 1.00 0.00 N ATOM 1310 CA SER A 86 -24.229 -4.824 -10.414 1.00 0.00 C ATOM 1311 C SER A 86 -24.073 -5.099 -11.906 1.00 0.00 C ATOM 1312 O SER A 86 -23.606 -4.245 -12.661 1.00 0.00 O ATOM 1313 CB SER A 86 -23.192 -5.627 -9.625 1.00 0.00 C ATOM 1314 OG SER A 86 -23.357 -5.442 -8.230 1.00 0.00 O ATOM 0 H SER A 86 -25.608 -5.727 -9.118 1.00 0.00 H new ATOM 0 HA SER A 86 -24.065 -3.761 -10.240 1.00 0.00 H new ATOM 0 HB2 SER A 86 -23.285 -6.685 -9.868 1.00 0.00 H new ATOM 0 HB3 SER A 86 -22.189 -5.320 -9.920 1.00 0.00 H new ATOM 0 HG SER A 86 -23.939 -6.145 -7.873 1.00 0.00 H new ATOM 1320 N HIS A 87 -24.469 -6.296 -12.326 1.00 0.00 N ATOM 1321 CA HIS A 87 -24.375 -6.685 -13.728 1.00 0.00 C ATOM 1322 C HIS A 87 -25.195 -5.747 -14.608 1.00 0.00 C ATOM 1323 O HIS A 87 -24.645 -4.981 -15.400 1.00 0.00 O ATOM 1324 CB HIS A 87 -24.853 -8.125 -13.914 1.00 0.00 C ATOM 1325 CG HIS A 87 -23.956 -9.141 -13.275 1.00 0.00 C ATOM 1326 ND1 HIS A 87 -22.583 -9.111 -13.392 1.00 0.00 N ATOM 1327 CD2 HIS A 87 -24.244 -10.219 -12.508 1.00 0.00 C ATOM 1328 CE1 HIS A 87 -22.065 -10.128 -12.726 1.00 0.00 C ATOM 1329 NE2 HIS A 87 -23.052 -10.815 -12.180 1.00 0.00 N ATOM 0 H HIS A 87 -24.858 -7.014 -11.715 1.00 0.00 H new ATOM 0 HA HIS A 87 -23.330 -6.616 -14.029 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -25.855 -8.223 -13.497 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -24.929 -8.339 -14.980 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -22.050 -8.413 -13.911 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -25.228 -10.548 -12.210 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -21.013 -10.358 -12.642 1.00 0.00 H new ATOM 1337 N THR A 88 -26.515 -5.812 -14.465 1.00 0.00 N ATOM 1338 CA THR A 88 -27.412 -4.971 -15.247 1.00 0.00 C ATOM 1339 C THR A 88 -26.935 -3.523 -15.260 1.00 0.00 C ATOM 1340 O THR A 88 -26.057 -3.141 -14.488 1.00 0.00 O ATOM 1341 CB THR A 88 -28.851 -5.021 -14.699 1.00 0.00 C ATOM 1342 OG1 THR A 88 -28.853 -4.717 -13.300 1.00 0.00 O ATOM 1343 CG2 THR A 88 -29.469 -6.392 -14.927 1.00 0.00 C ATOM 0 H THR A 88 -26.987 -6.439 -13.814 1.00 0.00 H new ATOM 0 HA THR A 88 -27.406 -5.363 -16.264 1.00 0.00 H new ATOM 0 HB THR A 88 -29.446 -4.279 -15.232 1.00 0.00 H new ATOM 0 HG1 THR A 88 -27.955 -4.436 -13.025 1.00 0.00 H new ATOM 0 HG21 THR A 88 -30.485 -6.403 -14.532 1.00 0.00 H new ATOM 0 HG22 THR A 88 -29.493 -6.607 -15.995 1.00 0.00 H new ATOM 0 HG23 THR A 88 -28.873 -7.149 -14.417 1.00 0.00 H new ATOM 1351 N GLY A 89 -27.522 -2.719 -16.143 1.00 0.00 N ATOM 1352 CA GLY A 89 -27.144 -1.322 -16.239 1.00 0.00 C ATOM 1353 C GLY A 89 -25.906 -1.113 -17.090 1.00 0.00 C ATOM 1354 O GLY A 89 -25.183 -2.063 -17.390 1.00 0.00 O ATOM 0 H GLY A 89 -28.252 -3.011 -16.793 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -27.972 -0.753 -16.662 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -26.964 -0.928 -15.239 1.00 0.00 H new ATOM 1358 N ASP A 90 -25.663 0.133 -17.481 1.00 0.00 N ATOM 1359 CA ASP A 90 -24.505 0.464 -18.303 1.00 0.00 C ATOM 1360 C ASP A 90 -23.318 0.867 -17.434 1.00 0.00 C ATOM 1361 O ASP A 90 -23.116 2.048 -17.150 1.00 0.00 O ATOM 1362 CB ASP A 90 -24.849 1.595 -19.274 1.00 0.00 C ATOM 1363 CG ASP A 90 -25.160 2.896 -18.561 1.00 0.00 C ATOM 1364 OD1 ASP A 90 -26.083 2.905 -17.719 1.00 0.00 O ATOM 1365 OD2 ASP A 90 -24.481 3.904 -18.845 1.00 0.00 O ATOM 0 H ASP A 90 -26.252 0.930 -17.242 1.00 0.00 H new ATOM 0 HA ASP A 90 -24.230 -0.423 -18.873 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -24.014 1.749 -19.958 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -25.707 1.302 -19.879 1.00 0.00 H new ATOM 1370 N SER A 91 -22.537 -0.122 -17.012 1.00 0.00 N ATOM 1371 CA SER A 91 -21.373 0.128 -16.171 1.00 0.00 C ATOM 1372 C SER A 91 -20.091 -0.314 -16.870 1.00 0.00 C ATOM 1373 O SER A 91 -19.124 0.441 -16.954 1.00 0.00 O ATOM 1374 CB SER A 91 -21.516 -0.603 -14.835 1.00 0.00 C ATOM 1375 OG SER A 91 -22.656 -0.150 -14.125 1.00 0.00 O ATOM 0 H SER A 91 -22.690 -1.105 -17.239 1.00 0.00 H new ATOM 0 HA SER A 91 -21.314 1.201 -15.986 1.00 0.00 H new ATOM 0 HB2 SER A 91 -21.596 -1.676 -15.011 1.00 0.00 H new ATOM 0 HB3 SER A 91 -20.622 -0.444 -14.232 1.00 0.00 H new ATOM 0 HG SER A 91 -22.726 -0.634 -13.276 1.00 0.00 H new ATOM 1381 N GLY A 92 -20.093 -1.545 -17.373 1.00 0.00 N ATOM 1382 CA GLY A 92 -18.926 -2.068 -18.058 1.00 0.00 C ATOM 1383 C GLY A 92 -18.308 -3.248 -17.335 1.00 0.00 C ATOM 1384 O GLY A 92 -17.218 -3.156 -16.770 1.00 0.00 O ATOM 0 H GLY A 92 -20.882 -2.189 -17.318 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -19.206 -2.371 -19.067 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -18.182 -1.277 -18.157 1.00 0.00 H new ATOM 1388 N PRO A 93 -19.014 -4.389 -17.344 1.00 0.00 N ATOM 1389 CA PRO A 93 -18.549 -5.614 -16.687 1.00 0.00 C ATOM 1390 C PRO A 93 -17.352 -6.234 -17.399 1.00 0.00 C ATOM 1391 O PRO A 93 -16.339 -6.547 -16.773 1.00 0.00 O ATOM 1392 CB PRO A 93 -19.762 -6.544 -16.771 1.00 0.00 C ATOM 1393 CG PRO A 93 -20.531 -6.059 -17.951 1.00 0.00 C ATOM 1394 CD PRO A 93 -20.322 -4.570 -17.998 1.00 0.00 C ATOM 0 HA PRO A 93 -18.208 -5.427 -15.669 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -19.456 -7.583 -16.897 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -20.361 -6.496 -15.862 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -20.178 -6.532 -18.868 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -21.589 -6.302 -17.854 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -20.314 -4.197 -19.022 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -21.113 -4.036 -17.470 1.00 0.00 H new ATOM 1402 N SER A 94 -17.474 -6.409 -18.711 1.00 0.00 N ATOM 1403 CA SER A 94 -16.403 -6.996 -19.507 1.00 0.00 C ATOM 1404 C SER A 94 -16.753 -6.969 -20.992 1.00 0.00 C ATOM 1405 O SER A 94 -17.908 -6.770 -21.366 1.00 0.00 O ATOM 1406 CB SER A 94 -16.136 -8.435 -19.061 1.00 0.00 C ATOM 1407 OG SER A 94 -17.304 -9.229 -19.174 1.00 0.00 O ATOM 0 H SER A 94 -18.304 -6.152 -19.245 1.00 0.00 H new ATOM 0 HA SER A 94 -15.502 -6.402 -19.352 1.00 0.00 H new ATOM 0 HB2 SER A 94 -15.340 -8.865 -19.668 1.00 0.00 H new ATOM 0 HB3 SER A 94 -15.787 -8.440 -18.028 1.00 0.00 H new ATOM 0 HG SER A 94 -17.107 -10.144 -18.885 1.00 0.00 H new ATOM 1413 N SER A 95 -15.744 -7.170 -21.835 1.00 0.00 N ATOM 1414 CA SER A 95 -15.943 -7.165 -23.279 1.00 0.00 C ATOM 1415 C SER A 95 -17.205 -7.935 -23.657 1.00 0.00 C ATOM 1416 O SER A 95 -17.519 -8.965 -23.062 1.00 0.00 O ATOM 1417 CB SER A 95 -14.730 -7.775 -23.984 1.00 0.00 C ATOM 1418 OG SER A 95 -14.705 -7.420 -25.356 1.00 0.00 O ATOM 0 H SER A 95 -14.781 -7.338 -21.542 1.00 0.00 H new ATOM 0 HA SER A 95 -16.060 -6.130 -23.601 1.00 0.00 H new ATOM 0 HB2 SER A 95 -13.815 -7.434 -23.500 1.00 0.00 H new ATOM 0 HB3 SER A 95 -14.757 -8.860 -23.886 1.00 0.00 H new ATOM 0 HG SER A 95 -13.919 -7.821 -25.783 1.00 0.00 H new ATOM 1424 N GLY A 96 -17.925 -7.427 -24.652 1.00 0.00 N ATOM 1425 CA GLY A 96 -19.145 -8.078 -25.093 1.00 0.00 C ATOM 1426 C GLY A 96 -20.391 -7.377 -24.591 1.00 0.00 C ATOM 1427 O GLY A 96 -20.322 -6.192 -24.267 1.00 0.00 O ATOM 0 H GLY A 96 -17.685 -6.576 -25.161 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -19.163 -8.109 -26.182 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -19.148 -9.111 -24.745 1.00 0.00 H new TER 1431 GLY A 96 HETATM 1432 ZN ZN A 191 9.773 -13.410 0.676 1.00 0.00 ZN HETATM 1433 ZN ZN A 241 -11.776 -20.870 3.742 1.00 0.00 ZN HETATM 1434 ZN ZN A 291 -23.141 -12.302 -10.930 1.00 0.00 ZN