USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 567 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 6 SER OG : rot 64:sc= 1.03 USER MOD Set 1.2: B 7 SER OG : rot 180:sc= -0.437 USER MOD Set 2.1: A 5 THR OG1 : rot -31:sc= -1.46! USER MOD Set 2.2: A 8 THR OG1 : rot -135:sc= 0.265 USER MOD Single : A 1 ILE N :NH3+ -157:sc= -1.35 (180deg=-2.52!) USER MOD Single : A 4 HIS : no HD1:sc= -15.5! C(o=-16!,f=-16!) USER MOD Single : A 6 THR OG1 : rot 172:sc= -3.41! USER MOD Single : A 9 SER OG : rot 180:sc= -1.41 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.068 USER MOD Single : A 21 ASN : amide:sc= -5.13! K(o=-5.1!,f=-2.2) USER MOD Single : A 24 TYR OH : rot -85:sc= 0.257 USER MOD Single : A 26 LYS NZ :NH3+ 159:sc= 0.421 (180deg=0.218) USER MOD Single : A 27 MET CE :methyl -161:sc= -0.0833 (180deg=-0.48) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 102:sc= 0.0935 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -32:sc= -4.96! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 93:sc= 0.578 USER MOD Single : A 61 SER OG : rot 65:sc= 1.14 USER MOD Single : A 62 THR OG1 : rot 69:sc= -0.764! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -8.09! C(o=-8.1!,f=-8.7!) USER MOD Single : A 68 HIS : no HE2:sc= -15.4! C(o=-15!,f=-12!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.376 X(o=-0.38,f=0) USER MOD Single : B 3 TYR OH : rot 173:sc= 0.49 USER MOD Single : B 4 TYR OH : rot -143:sc= -0.939 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 7.153 15.715 -3.891 1.00 0.00 N ATOM 2 CA ILE A 1 6.492 14.411 -4.191 1.00 0.00 C ATOM 3 C ILE A 1 5.858 13.834 -2.922 1.00 0.00 C ATOM 4 O ILE A 1 6.431 13.885 -1.852 1.00 0.00 O ATOM 5 CB ILE A 1 7.614 13.501 -4.691 1.00 0.00 C ATOM 6 CG1 ILE A 1 8.507 13.099 -3.514 1.00 0.00 C ATOM 7 CG2 ILE A 1 8.450 14.244 -5.734 1.00 0.00 C ATOM 8 CD1 ILE A 1 9.711 12.310 -4.032 1.00 0.00 C ATOM 0 H1 ILE A 1 7.231 16.274 -4.765 1.00 0.00 H new ATOM 0 H2 ILE A 1 6.586 16.239 -3.194 1.00 0.00 H new ATOM 0 H3 ILE A 1 8.103 15.542 -3.505 1.00 0.00 H new ATOM 0 HA ILE A 1 5.694 14.514 -4.926 1.00 0.00 H new ATOM 0 HB ILE A 1 7.182 12.608 -5.142 1.00 0.00 H new ATOM 0 HG12 ILE A 1 8.844 13.987 -2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 1 7.941 12.495 -2.804 1.00 0.00 H new ATOM 0 HG21 ILE A 1 9.250 13.594 -6.090 1.00 0.00 H new ATOM 0 HG22 ILE A 1 7.815 14.530 -6.572 1.00 0.00 H new ATOM 0 HG23 ILE A 1 8.882 15.138 -5.284 1.00 0.00 H new ATOM 0 HD11 ILE A 1 10.346 12.024 -3.194 1.00 0.00 H new ATOM 0 HD12 ILE A 1 9.365 11.414 -4.547 1.00 0.00 H new ATOM 0 HD13 ILE A 1 10.281 12.929 -4.725 1.00 0.00 H new ATOM 22 N VAL A 2 4.680 13.283 -3.034 1.00 0.00 N ATOM 23 CA VAL A 2 4.010 12.701 -1.834 1.00 0.00 C ATOM 24 C VAL A 2 3.657 11.237 -2.089 1.00 0.00 C ATOM 25 O VAL A 2 3.582 10.793 -3.218 1.00 0.00 O ATOM 26 CB VAL A 2 2.737 13.523 -1.643 1.00 0.00 C ATOM 27 CG1 VAL A 2 2.198 13.319 -0.228 1.00 0.00 C ATOM 28 CG2 VAL A 2 3.045 15.005 -1.856 1.00 0.00 C ATOM 0 H VAL A 2 4.152 13.210 -3.904 1.00 0.00 H new ATOM 0 HA VAL A 2 4.651 12.733 -0.953 1.00 0.00 H new ATOM 0 HB VAL A 2 1.990 13.197 -2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.290 13.907 -0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.973 12.264 -0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.947 13.640 0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 2 2.135 15.589 -1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.795 15.328 -1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.425 15.156 -2.867 1.00 0.00 H new ATOM 38 N CYS A 3 3.448 10.479 -1.051 1.00 0.00 N ATOM 39 CA CYS A 3 3.113 9.040 -1.238 1.00 0.00 C ATOM 40 C CYS A 3 1.846 8.684 -0.466 1.00 0.00 C ATOM 41 O CYS A 3 1.547 9.275 0.548 1.00 0.00 O ATOM 42 CB CYS A 3 4.297 8.273 -0.668 1.00 0.00 C ATOM 43 SG CYS A 3 5.843 9.150 -1.022 1.00 0.00 S ATOM 0 H CYS A 3 3.494 10.792 -0.081 1.00 0.00 H new ATOM 0 HA CYS A 3 2.933 8.802 -2.286 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.177 8.153 0.409 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.332 7.272 -1.098 1.00 0.00 H new ATOM 48 N HIS A 4 1.116 7.702 -0.923 1.00 0.00 N ATOM 49 CA HIS A 4 -0.132 7.297 -0.206 1.00 0.00 C ATOM 50 C HIS A 4 0.148 6.122 0.712 1.00 0.00 C ATOM 51 O HIS A 4 1.053 5.348 0.474 1.00 0.00 O ATOM 52 CB HIS A 4 -1.109 6.865 -1.278 1.00 0.00 C ATOM 53 CG HIS A 4 -1.205 7.906 -2.362 1.00 0.00 C ATOM 54 ND1 HIS A 4 -1.710 9.172 -2.116 1.00 0.00 N ATOM 55 CD2 HIS A 4 -0.887 7.882 -3.700 1.00 0.00 C ATOM 56 CE1 HIS A 4 -1.682 9.852 -3.276 1.00 0.00 C ATOM 57 NE2 HIS A 4 -1.190 9.113 -4.273 1.00 0.00 N ATOM 0 H HIS A 4 1.328 7.162 -1.762 1.00 0.00 H new ATOM 0 HA HIS A 4 -0.520 8.116 0.399 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -0.790 5.915 -1.707 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.092 6.701 -0.836 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -0.467 7.037 -4.225 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -2.017 10.873 -3.387 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -1.063 9.391 -5.246 1.00 0.00 H new ATOM 65 N THR A 5 -0.622 5.952 1.750 1.00 0.00 N ATOM 66 CA THR A 5 -0.365 4.798 2.628 1.00 0.00 C ATOM 67 C THR A 5 -1.603 3.935 2.744 1.00 0.00 C ATOM 68 O THR A 5 -2.584 4.276 3.375 1.00 0.00 O ATOM 69 CB THR A 5 0.025 5.337 3.993 1.00 0.00 C ATOM 70 OG1 THR A 5 -1.099 5.291 4.852 1.00 0.00 O ATOM 71 CG2 THR A 5 0.557 6.771 3.898 1.00 0.00 C ATOM 0 H THR A 5 -1.401 6.553 2.018 1.00 0.00 H new ATOM 0 HA THR A 5 0.434 4.181 2.216 1.00 0.00 H new ATOM 0 HB THR A 5 0.824 4.714 4.395 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.917 5.413 4.327 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.827 7.126 4.893 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.437 6.791 3.255 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.214 7.418 3.479 1.00 0.00 H new ATOM 79 N THR A 6 -1.525 2.803 2.164 1.00 0.00 N ATOM 80 CA THR A 6 -2.640 1.835 2.245 1.00 0.00 C ATOM 81 C THR A 6 -2.374 0.916 3.434 1.00 0.00 C ATOM 82 O THR A 6 -3.244 0.214 3.909 1.00 0.00 O ATOM 83 CB THR A 6 -2.586 1.045 0.934 1.00 0.00 C ATOM 84 OG1 THR A 6 -1.332 1.257 0.301 1.00 0.00 O ATOM 85 CG2 THR A 6 -3.703 1.511 0.007 1.00 0.00 C ATOM 0 H THR A 6 -0.722 2.487 1.621 1.00 0.00 H new ATOM 0 HA THR A 6 -3.615 2.304 2.378 1.00 0.00 H new ATOM 0 HB THR A 6 -2.711 -0.016 1.150 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.250 0.658 -0.470 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.662 0.947 -0.925 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.667 1.347 0.488 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.580 2.573 -0.206 1.00 0.00 H new ATOM 93 N ALA A 7 -1.147 0.897 3.890 1.00 0.00 N ATOM 94 CA ALA A 7 -0.779 0.005 5.016 1.00 0.00 C ATOM 95 C ALA A 7 -0.884 0.695 6.385 1.00 0.00 C ATOM 96 O ALA A 7 -0.435 0.160 7.379 1.00 0.00 O ATOM 97 CB ALA A 7 0.659 -0.412 4.711 1.00 0.00 C ATOM 0 H ALA A 7 -0.384 1.467 3.524 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.460 -0.843 5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.019 -1.078 5.495 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.692 -0.930 3.752 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.293 0.473 4.667 1.00 0.00 H new ATOM 103 N THR A 8 -1.479 1.852 6.466 1.00 0.00 N ATOM 104 CA THR A 8 -1.601 2.509 7.803 1.00 0.00 C ATOM 105 C THR A 8 -3.002 2.259 8.362 1.00 0.00 C ATOM 106 O THR A 8 -3.169 1.684 9.420 1.00 0.00 O ATOM 107 CB THR A 8 -1.356 4.003 7.569 1.00 0.00 C ATOM 108 OG1 THR A 8 -2.383 4.537 6.747 1.00 0.00 O ATOM 109 CG2 THR A 8 0.001 4.198 6.891 1.00 0.00 C ATOM 0 H THR A 8 -1.880 2.366 5.682 1.00 0.00 H new ATOM 0 HA THR A 8 -0.886 2.115 8.525 1.00 0.00 H new ATOM 0 HB THR A 8 -1.360 4.523 8.527 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.986 5.107 6.056 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.175 5.261 6.725 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.788 3.797 7.530 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.008 3.675 5.935 1.00 0.00 H new ATOM 117 N SER A 9 -4.008 2.662 7.645 1.00 0.00 N ATOM 118 CA SER A 9 -5.403 2.425 8.105 1.00 0.00 C ATOM 119 C SER A 9 -6.384 2.795 6.987 1.00 0.00 C ATOM 120 O SER A 9 -7.136 1.955 6.537 1.00 0.00 O ATOM 121 CB SER A 9 -5.594 3.301 9.344 1.00 0.00 C ATOM 122 OG SER A 9 -6.777 4.075 9.192 1.00 0.00 O ATOM 0 H SER A 9 -3.925 3.149 6.753 1.00 0.00 H new ATOM 0 HA SER A 9 -5.588 1.379 8.350 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.664 2.679 10.236 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.732 3.955 9.478 1.00 0.00 H new ATOM 0 HG SER A 9 -6.904 4.637 9.985 1.00 0.00 H new ATOM 128 N PRO A 10 -6.352 4.036 6.556 1.00 0.00 N ATOM 129 CA PRO A 10 -7.241 4.486 5.477 1.00 0.00 C ATOM 130 C PRO A 10 -6.472 4.522 4.139 1.00 0.00 C ATOM 131 O PRO A 10 -6.336 3.523 3.461 1.00 0.00 O ATOM 132 CB PRO A 10 -7.602 5.897 5.935 1.00 0.00 C ATOM 133 CG PRO A 10 -6.447 6.344 6.803 1.00 0.00 C ATOM 134 CD PRO A 10 -5.532 5.154 7.013 1.00 0.00 C ATOM 0 HA PRO A 10 -8.107 3.846 5.309 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.735 6.565 5.084 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.538 5.902 6.493 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.906 7.161 6.326 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.812 6.718 7.760 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -4.612 5.244 6.436 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.244 5.044 8.058 1.00 0.00 H new ATOM 142 N ILE A 11 -5.971 5.680 3.771 1.00 0.00 N ATOM 143 CA ILE A 11 -5.216 5.864 2.513 1.00 0.00 C ATOM 144 C ILE A 11 -5.105 7.366 2.266 1.00 0.00 C ATOM 145 O ILE A 11 -6.096 8.063 2.174 1.00 0.00 O ATOM 146 CB ILE A 11 -6.042 5.162 1.438 1.00 0.00 C ATOM 147 CG1 ILE A 11 -5.168 4.058 0.828 1.00 0.00 C ATOM 148 CG2 ILE A 11 -6.494 6.147 0.342 1.00 0.00 C ATOM 149 CD1 ILE A 11 -5.602 3.752 -0.610 1.00 0.00 C ATOM 0 H ILE A 11 -6.066 6.532 4.323 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.207 5.452 2.529 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.944 4.743 1.884 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.123 4.368 0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.239 3.155 1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.080 5.614 -0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.104 6.933 0.788 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.618 6.592 -0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.968 2.967 -1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.640 3.420 -0.614 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.506 4.652 -1.218 1.00 0.00 H new ATOM 161 N SER A 12 -3.923 7.870 2.176 1.00 0.00 N ATOM 162 CA SER A 12 -3.769 9.330 1.957 1.00 0.00 C ATOM 163 C SER A 12 -2.344 9.637 1.533 1.00 0.00 C ATOM 164 O SER A 12 -1.411 8.978 1.951 1.00 0.00 O ATOM 165 CB SER A 12 -4.076 9.970 3.310 1.00 0.00 C ATOM 166 OG SER A 12 -3.017 9.685 4.214 1.00 0.00 O ATOM 0 H SER A 12 -3.053 7.342 2.243 1.00 0.00 H new ATOM 0 HA SER A 12 -4.427 9.706 1.174 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.194 11.048 3.197 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.018 9.586 3.702 1.00 0.00 H new ATOM 0 HG SER A 12 -3.209 10.095 5.083 1.00 0.00 H new ATOM 172 N ALA A 13 -2.168 10.623 0.702 1.00 0.00 N ATOM 173 CA ALA A 13 -0.799 10.959 0.247 1.00 0.00 C ATOM 174 C ALA A 13 -0.154 11.985 1.166 1.00 0.00 C ATOM 175 O ALA A 13 -0.452 13.161 1.099 1.00 0.00 O ATOM 176 CB ALA A 13 -0.961 11.561 -1.138 1.00 0.00 C ATOM 0 H ALA A 13 -2.912 11.207 0.321 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.163 10.074 0.247 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.018 11.833 -1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.430 10.832 -1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.587 12.451 -1.077 1.00 0.00 H new ATOM 182 N VAL A 14 0.746 11.568 2.001 1.00 0.00 N ATOM 183 CA VAL A 14 1.416 12.554 2.878 1.00 0.00 C ATOM 184 C VAL A 14 2.861 12.713 2.432 1.00 0.00 C ATOM 185 O VAL A 14 3.516 11.771 2.023 1.00 0.00 O ATOM 186 CB VAL A 14 1.339 12.021 4.322 1.00 0.00 C ATOM 187 CG1 VAL A 14 0.097 11.157 4.490 1.00 0.00 C ATOM 188 CG2 VAL A 14 2.591 11.199 4.656 1.00 0.00 C ATOM 0 H VAL A 14 1.044 10.599 2.114 1.00 0.00 H new ATOM 0 HA VAL A 14 0.934 13.530 2.823 1.00 0.00 H new ATOM 0 HB VAL A 14 1.283 12.869 5.004 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.049 10.784 5.513 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.791 11.752 4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.143 10.316 3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.521 10.830 5.679 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.666 10.355 3.970 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.476 11.827 4.557 1.00 0.00 H new ATOM 198 N THR A 15 3.350 13.896 2.514 1.00 0.00 N ATOM 199 CA THR A 15 4.756 14.151 2.114 1.00 0.00 C ATOM 200 C THR A 15 5.702 13.322 2.987 1.00 0.00 C ATOM 201 O THR A 15 5.569 13.286 4.194 1.00 0.00 O ATOM 202 CB THR A 15 4.964 15.634 2.377 1.00 0.00 C ATOM 203 OG1 THR A 15 3.787 16.347 2.023 1.00 0.00 O ATOM 204 CG2 THR A 15 6.141 16.133 1.543 1.00 0.00 C ATOM 0 H THR A 15 2.838 14.714 2.844 1.00 0.00 H new ATOM 0 HA THR A 15 4.954 13.882 1.076 1.00 0.00 H new ATOM 0 HB THR A 15 5.176 15.794 3.434 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.920 17.303 2.194 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.294 17.196 1.729 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.041 15.584 1.819 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.930 15.976 0.485 1.00 0.00 H new ATOM 212 N CYS A 16 6.647 12.648 2.393 1.00 0.00 N ATOM 213 CA CYS A 16 7.581 11.821 3.199 1.00 0.00 C ATOM 214 C CYS A 16 9.036 12.170 2.871 1.00 0.00 C ATOM 215 O CYS A 16 9.833 11.298 2.590 1.00 0.00 O ATOM 216 CB CYS A 16 7.268 10.395 2.773 1.00 0.00 C ATOM 217 SG CYS A 16 5.613 9.941 3.347 1.00 0.00 S ATOM 0 H CYS A 16 6.811 12.635 1.386 1.00 0.00 H new ATOM 0 HA CYS A 16 7.462 11.979 4.271 1.00 0.00 H new ATOM 0 HB2 CYS A 16 7.324 10.308 1.688 1.00 0.00 H new ATOM 0 HB3 CYS A 16 8.008 9.710 3.187 1.00 0.00 H new ATOM 222 N PRO A 17 9.334 13.441 2.918 1.00 0.00 N ATOM 223 CA PRO A 17 10.708 13.911 2.622 1.00 0.00 C ATOM 224 C PRO A 17 11.712 13.617 3.761 1.00 0.00 C ATOM 225 O PRO A 17 12.888 13.471 3.493 1.00 0.00 O ATOM 226 CB PRO A 17 10.536 15.414 2.418 1.00 0.00 C ATOM 227 CG PRO A 17 9.296 15.781 3.171 1.00 0.00 C ATOM 228 CD PRO A 17 8.425 14.549 3.239 1.00 0.00 C ATOM 0 HA PRO A 17 11.129 13.397 1.758 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.400 15.962 2.794 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.439 15.658 1.360 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.545 16.130 4.173 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.771 16.595 2.671 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.985 14.428 4.229 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.601 14.605 2.528 1.00 0.00 H new ATOM 236 N PRO A 18 11.255 13.548 4.998 1.00 0.00 N ATOM 237 CA PRO A 18 12.198 13.285 6.117 1.00 0.00 C ATOM 238 C PRO A 18 12.642 11.817 6.136 1.00 0.00 C ATOM 239 O PRO A 18 12.093 11.003 6.852 1.00 0.00 O ATOM 240 CB PRO A 18 11.386 13.622 7.364 1.00 0.00 C ATOM 241 CG PRO A 18 9.959 13.446 6.961 1.00 0.00 C ATOM 242 CD PRO A 18 9.872 13.702 5.478 1.00 0.00 C ATOM 0 HA PRO A 18 13.114 13.870 6.036 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.645 12.963 8.193 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.579 14.642 7.696 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.615 12.439 7.197 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.318 14.138 7.508 1.00 0.00 H new ATOM 0 HD2 PRO A 18 9.201 12.994 4.991 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.488 14.700 5.269 1.00 0.00 H new ATOM 250 N GLY A 19 13.639 11.477 5.364 1.00 0.00 N ATOM 251 CA GLY A 19 14.126 10.068 5.346 1.00 0.00 C ATOM 252 C GLY A 19 13.785 9.426 4.008 1.00 0.00 C ATOM 253 O GLY A 19 14.643 9.201 3.179 1.00 0.00 O ATOM 0 H GLY A 19 14.138 12.115 4.744 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.204 10.043 5.508 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.668 9.504 6.159 1.00 0.00 H new ATOM 257 N GLU A 20 12.537 9.129 3.789 1.00 0.00 N ATOM 258 CA GLU A 20 12.139 8.506 2.508 1.00 0.00 C ATOM 259 C GLU A 20 12.301 9.515 1.377 1.00 0.00 C ATOM 260 O GLU A 20 11.642 10.535 1.339 1.00 0.00 O ATOM 261 CB GLU A 20 10.676 8.146 2.719 1.00 0.00 C ATOM 262 CG GLU A 20 10.597 6.935 3.647 1.00 0.00 C ATOM 263 CD GLU A 20 10.667 7.399 5.102 1.00 0.00 C ATOM 264 OE1 GLU A 20 9.670 7.906 5.589 1.00 0.00 O ATOM 265 OE2 GLU A 20 11.716 7.241 5.705 1.00 0.00 O ATOM 0 H GLU A 20 11.775 9.293 4.447 1.00 0.00 H new ATOM 0 HA GLU A 20 12.740 7.638 2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.138 8.989 3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.201 7.922 1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.669 6.390 3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.415 6.247 3.434 1.00 0.00 H new ATOM 272 N ASN A 21 13.186 9.246 0.464 1.00 0.00 N ATOM 273 CA ASN A 21 13.406 10.194 -0.655 1.00 0.00 C ATOM 274 C ASN A 21 12.301 10.036 -1.697 1.00 0.00 C ATOM 275 O ASN A 21 12.223 10.784 -2.651 1.00 0.00 O ATOM 276 CB ASN A 21 14.766 9.808 -1.236 1.00 0.00 C ATOM 277 CG ASN A 21 15.770 9.568 -0.101 1.00 0.00 C ATOM 278 OD1 ASN A 21 16.787 8.935 -0.304 1.00 0.00 O ATOM 279 ND2 ASN A 21 15.531 10.046 1.094 1.00 0.00 N ATOM 0 H ASN A 21 13.768 8.408 0.445 1.00 0.00 H new ATOM 0 HA ASN A 21 13.387 11.235 -0.333 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.669 8.908 -1.844 1.00 0.00 H new ATOM 0 HB3 ASN A 21 15.128 10.599 -1.893 1.00 0.00 H new ATOM 0 HD21 ASN A 21 16.197 9.886 1.850 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.679 10.578 1.269 1.00 0.00 H new ATOM 286 N LEU A 22 11.440 9.070 -1.522 1.00 0.00 N ATOM 287 CA LEU A 22 10.342 8.881 -2.507 1.00 0.00 C ATOM 288 C LEU A 22 9.221 8.020 -1.923 1.00 0.00 C ATOM 289 O LEU A 22 9.019 7.966 -0.726 1.00 0.00 O ATOM 290 CB LEU A 22 10.988 8.182 -3.701 1.00 0.00 C ATOM 291 CG LEU A 22 11.522 6.813 -3.280 1.00 0.00 C ATOM 292 CD1 LEU A 22 10.780 5.724 -4.056 1.00 0.00 C ATOM 293 CD2 LEU A 22 13.014 6.738 -3.600 1.00 0.00 C ATOM 0 H LEU A 22 11.450 8.409 -0.745 1.00 0.00 H new ATOM 0 HA LEU A 22 9.886 9.831 -2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.259 8.066 -4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.800 8.793 -4.095 1.00 0.00 H new ATOM 0 HG LEU A 22 11.369 6.668 -2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.157 4.745 -3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.714 5.784 -3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.940 5.866 -5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.401 5.764 -3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.164 6.876 -4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.543 7.521 -3.056 1.00 0.00 H new ATOM 305 N CYS A 23 8.482 7.365 -2.771 1.00 0.00 N ATOM 306 CA CYS A 23 7.356 6.519 -2.303 1.00 0.00 C ATOM 307 C CYS A 23 7.617 5.058 -2.639 1.00 0.00 C ATOM 308 O CYS A 23 8.646 4.706 -3.174 1.00 0.00 O ATOM 309 CB CYS A 23 6.160 7.023 -3.095 1.00 0.00 C ATOM 310 SG CYS A 23 6.095 8.827 -2.994 1.00 0.00 S ATOM 0 H CYS A 23 8.614 7.381 -3.782 1.00 0.00 H new ATOM 0 HA CYS A 23 7.209 6.579 -1.225 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.239 6.708 -4.135 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.240 6.592 -2.701 1.00 0.00 H new ATOM 315 N TYR A 24 6.683 4.204 -2.355 1.00 0.00 N ATOM 316 CA TYR A 24 6.890 2.778 -2.679 1.00 0.00 C ATOM 317 C TYR A 24 5.566 2.047 -2.773 1.00 0.00 C ATOM 318 O TYR A 24 4.712 2.183 -1.931 1.00 0.00 O ATOM 319 CB TYR A 24 7.730 2.208 -1.538 1.00 0.00 C ATOM 320 CG TYR A 24 6.842 1.891 -0.359 1.00 0.00 C ATOM 321 CD1 TYR A 24 6.100 0.707 -0.351 1.00 0.00 C ATOM 322 CD2 TYR A 24 6.760 2.777 0.714 1.00 0.00 C ATOM 323 CE1 TYR A 24 5.273 0.407 0.738 1.00 0.00 C ATOM 324 CE2 TYR A 24 5.935 2.482 1.805 1.00 0.00 C ATOM 325 CZ TYR A 24 5.191 1.295 1.818 1.00 0.00 C ATOM 326 OH TYR A 24 4.377 1.002 2.892 1.00 0.00 O ATOM 0 H TYR A 24 5.791 4.431 -1.915 1.00 0.00 H new ATOM 0 HA TYR A 24 7.385 2.661 -3.643 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.246 1.307 -1.869 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.497 2.925 -1.245 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.164 0.023 -1.185 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.334 3.692 0.703 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.699 -0.508 0.745 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.872 3.169 2.636 1.00 0.00 H new ATOM 0 HH TYR A 24 3.464 1.305 2.703 1.00 0.00 H new ATOM 336 N ARG A 25 5.404 1.253 -3.775 1.00 0.00 N ATOM 337 CA ARG A 25 4.137 0.488 -3.898 1.00 0.00 C ATOM 338 C ARG A 25 4.419 -0.981 -3.569 1.00 0.00 C ATOM 339 O ARG A 25 5.202 -1.626 -4.236 1.00 0.00 O ATOM 340 CB ARG A 25 3.693 0.641 -5.359 1.00 0.00 C ATOM 341 CG ARG A 25 4.078 2.029 -5.884 1.00 0.00 C ATOM 342 CD ARG A 25 3.291 2.331 -7.161 1.00 0.00 C ATOM 343 NE ARG A 25 4.000 1.581 -8.234 1.00 0.00 N ATOM 344 CZ ARG A 25 3.340 0.752 -8.996 1.00 0.00 C ATOM 345 NH1 ARG A 25 3.067 -0.450 -8.568 1.00 0.00 N ATOM 346 NH2 ARG A 25 2.954 1.125 -10.184 1.00 0.00 N ATOM 0 H ARG A 25 6.087 1.095 -4.516 1.00 0.00 H new ATOM 0 HA ARG A 25 3.362 0.845 -3.220 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.160 -0.130 -5.972 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.615 0.501 -5.436 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.869 2.786 -5.128 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.148 2.068 -6.086 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.254 2.007 -7.072 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.274 3.400 -7.371 1.00 0.00 H new ATOM 0 HE ARG A 25 5.001 1.715 -8.374 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.369 -0.741 -7.638 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.551 -1.098 -9.163 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.168 2.065 -10.518 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.438 0.477 -10.779 1.00 0.00 H new ATOM 360 N LYS A 26 3.803 -1.525 -2.553 1.00 0.00 N ATOM 361 CA LYS A 26 4.076 -2.948 -2.224 1.00 0.00 C ATOM 362 C LYS A 26 2.861 -3.798 -2.534 1.00 0.00 C ATOM 363 O LYS A 26 1.750 -3.317 -2.635 1.00 0.00 O ATOM 364 CB LYS A 26 4.370 -3.003 -0.721 1.00 0.00 C ATOM 365 CG LYS A 26 5.832 -3.388 -0.501 1.00 0.00 C ATOM 366 CD LYS A 26 6.279 -2.926 0.888 1.00 0.00 C ATOM 367 CE LYS A 26 7.496 -2.008 0.758 1.00 0.00 C ATOM 368 NZ LYS A 26 7.638 -1.365 2.094 1.00 0.00 N ATOM 0 H LYS A 26 3.133 -1.052 -1.947 1.00 0.00 H new ATOM 0 HA LYS A 26 4.913 -3.328 -2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.165 -2.035 -0.264 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.715 -3.728 -0.238 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.952 -4.467 -0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.459 -2.931 -1.267 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.465 -2.399 1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.526 -3.789 1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.390 -2.573 0.495 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.347 -1.264 -0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.610 -1.015 2.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.972 -0.569 2.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.430 -2.061 2.838 1.00 0.00 H new ATOM 382 N MET A 27 3.072 -5.062 -2.666 1.00 0.00 N ATOM 383 CA MET A 27 1.948 -5.978 -2.947 1.00 0.00 C ATOM 384 C MET A 27 2.320 -7.358 -2.461 1.00 0.00 C ATOM 385 O MET A 27 3.481 -7.700 -2.355 1.00 0.00 O ATOM 386 CB MET A 27 1.756 -5.950 -4.464 1.00 0.00 C ATOM 387 CG MET A 27 0.391 -5.342 -4.793 1.00 0.00 C ATOM 388 SD MET A 27 0.457 -4.557 -6.421 1.00 0.00 S ATOM 389 CE MET A 27 1.160 -2.979 -5.882 1.00 0.00 C ATOM 0 H MET A 27 3.986 -5.509 -2.591 1.00 0.00 H new ATOM 0 HA MET A 27 1.025 -5.689 -2.445 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.549 -5.366 -4.931 1.00 0.00 H new ATOM 0 HB3 MET A 27 1.824 -6.960 -4.869 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.376 -6.116 -4.782 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.115 -4.609 -4.035 1.00 0.00 H new ATOM 0 HE1 MET A 27 0.981 -2.222 -6.645 1.00 0.00 H new ATOM 0 HE2 MET A 27 0.690 -2.671 -4.948 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.233 -3.093 -5.728 1.00 0.00 H new ATOM 399 N TRP A 28 1.355 -8.144 -2.122 1.00 0.00 N ATOM 400 CA TRP A 28 1.686 -9.480 -1.596 1.00 0.00 C ATOM 401 C TRP A 28 0.434 -10.359 -1.510 1.00 0.00 C ATOM 402 O TRP A 28 0.018 -10.970 -2.474 1.00 0.00 O ATOM 403 CB TRP A 28 2.268 -9.192 -0.204 1.00 0.00 C ATOM 404 CG TRP A 28 1.687 -7.944 0.440 1.00 0.00 C ATOM 405 CD1 TRP A 28 0.365 -7.673 0.635 1.00 0.00 C ATOM 406 CD2 TRP A 28 2.409 -6.809 1.005 1.00 0.00 C ATOM 407 NE1 TRP A 28 0.248 -6.468 1.309 1.00 0.00 N ATOM 408 CE2 TRP A 28 1.477 -5.897 1.552 1.00 0.00 C ATOM 409 CE3 TRP A 28 3.771 -6.491 1.100 1.00 0.00 C ATOM 410 CZ2 TRP A 28 1.885 -4.720 2.175 1.00 0.00 C ATOM 411 CZ3 TRP A 28 4.188 -5.304 1.720 1.00 0.00 C ATOM 412 CH2 TRP A 28 3.246 -4.421 2.261 1.00 0.00 C ATOM 0 H TRP A 28 0.361 -7.924 -2.185 1.00 0.00 H new ATOM 0 HA TRP A 28 2.382 -10.027 -2.232 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.082 -10.048 0.445 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.349 -9.082 -0.285 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -0.457 -8.296 0.316 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.641 -6.054 1.591 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.507 -7.167 0.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.153 -4.043 2.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.241 -5.070 1.780 1.00 0.00 H new ATOM 0 HH2 TRP A 28 3.571 -3.511 2.743 1.00 0.00 H new ATOM 423 N CYS A 29 -0.169 -10.418 -0.369 1.00 0.00 N ATOM 424 CA CYS A 29 -1.402 -11.228 -0.201 1.00 0.00 C ATOM 425 C CYS A 29 -1.975 -10.960 1.191 1.00 0.00 C ATOM 426 O CYS A 29 -1.243 -10.769 2.141 1.00 0.00 O ATOM 427 CB CYS A 29 -0.955 -12.679 -0.332 1.00 0.00 C ATOM 428 SG CYS A 29 -2.293 -13.766 0.220 1.00 0.00 S ATOM 0 H CYS A 29 0.142 -9.932 0.472 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.173 -10.990 -0.933 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.695 -12.900 -1.367 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.060 -12.852 0.266 1.00 0.00 H new ATOM 433 N ASP A 30 -3.268 -10.930 1.327 1.00 0.00 N ATOM 434 CA ASP A 30 -3.855 -10.656 2.669 1.00 0.00 C ATOM 435 C ASP A 30 -4.084 -11.966 3.431 1.00 0.00 C ATOM 436 O ASP A 30 -3.466 -12.972 3.145 1.00 0.00 O ATOM 437 CB ASP A 30 -5.177 -9.945 2.385 1.00 0.00 C ATOM 438 CG ASP A 30 -6.087 -10.858 1.562 1.00 0.00 C ATOM 439 OD1 ASP A 30 -5.648 -11.943 1.216 1.00 0.00 O ATOM 440 OD2 ASP A 30 -7.207 -10.459 1.293 1.00 0.00 O ATOM 0 H ASP A 30 -3.941 -11.082 0.576 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.198 -10.050 3.293 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.666 -9.677 3.322 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.993 -9.016 1.845 1.00 0.00 H new ATOM 445 N ALA A 31 -4.959 -11.956 4.403 1.00 0.00 N ATOM 446 CA ALA A 31 -5.223 -13.198 5.189 1.00 0.00 C ATOM 447 C ALA A 31 -5.232 -14.421 4.268 1.00 0.00 C ATOM 448 O ALA A 31 -4.595 -15.420 4.539 1.00 0.00 O ATOM 449 CB ALA A 31 -6.604 -12.987 5.812 1.00 0.00 C ATOM 0 H ALA A 31 -5.503 -11.141 4.687 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.457 -13.377 5.943 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.872 -13.860 6.408 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.584 -12.104 6.451 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.342 -12.847 5.022 1.00 0.00 H new ATOM 455 N PHE A 32 -5.944 -14.345 3.181 1.00 0.00 N ATOM 456 CA PHE A 32 -5.992 -15.496 2.237 1.00 0.00 C ATOM 457 C PHE A 32 -5.897 -14.986 0.798 1.00 0.00 C ATOM 458 O PHE A 32 -6.808 -14.361 0.295 1.00 0.00 O ATOM 459 CB PHE A 32 -7.348 -16.158 2.483 1.00 0.00 C ATOM 460 CG PHE A 32 -7.157 -17.407 3.309 1.00 0.00 C ATOM 461 CD1 PHE A 32 -6.364 -18.453 2.822 1.00 0.00 C ATOM 462 CD2 PHE A 32 -7.772 -17.520 4.561 1.00 0.00 C ATOM 463 CE1 PHE A 32 -6.186 -19.612 3.588 1.00 0.00 C ATOM 464 CE2 PHE A 32 -7.595 -18.678 5.326 1.00 0.00 C ATOM 465 CZ PHE A 32 -6.802 -19.724 4.839 1.00 0.00 C ATOM 0 H PHE A 32 -6.497 -13.534 2.904 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.169 -16.195 2.389 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.014 -15.466 2.999 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.821 -16.407 1.533 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.890 -18.366 1.856 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.383 -16.713 4.937 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.574 -20.419 3.213 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.070 -18.765 6.292 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.666 -20.618 5.430 1.00 0.00 H new ATOM 475 N CYS A 33 -4.801 -15.241 0.135 1.00 0.00 N ATOM 476 CA CYS A 33 -4.657 -14.761 -1.271 1.00 0.00 C ATOM 477 C CYS A 33 -5.959 -15.002 -2.038 1.00 0.00 C ATOM 478 O CYS A 33 -6.195 -16.073 -2.561 1.00 0.00 O ATOM 479 CB CYS A 33 -3.521 -15.591 -1.875 1.00 0.00 C ATOM 480 SG CYS A 33 -2.033 -15.461 -0.847 1.00 0.00 S ATOM 0 H CYS A 33 -4.003 -15.758 0.503 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.442 -13.693 -1.319 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.826 -16.634 -1.955 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.305 -15.244 -2.885 1.00 0.00 H new ATOM 485 N SER A 34 -6.809 -14.014 -2.102 1.00 0.00 N ATOM 486 CA SER A 34 -8.101 -14.188 -2.828 1.00 0.00 C ATOM 487 C SER A 34 -7.861 -14.230 -4.339 1.00 0.00 C ATOM 488 O SER A 34 -6.785 -13.930 -4.816 1.00 0.00 O ATOM 489 CB SER A 34 -8.934 -12.964 -2.452 1.00 0.00 C ATOM 490 OG SER A 34 -9.689 -13.252 -1.282 1.00 0.00 O ATOM 0 H SER A 34 -6.666 -13.095 -1.684 1.00 0.00 H new ATOM 0 HA SER A 34 -8.600 -15.120 -2.562 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.284 -12.107 -2.278 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.600 -12.697 -3.272 1.00 0.00 H new ATOM 0 HG SER A 34 -10.224 -12.468 -1.037 1.00 0.00 H new ATOM 496 N SER A 35 -8.859 -14.595 -5.096 1.00 0.00 N ATOM 497 CA SER A 35 -8.690 -14.651 -6.576 1.00 0.00 C ATOM 498 C SER A 35 -8.554 -13.233 -7.136 1.00 0.00 C ATOM 499 O SER A 35 -8.277 -13.039 -8.303 1.00 0.00 O ATOM 500 CB SER A 35 -9.964 -15.314 -7.095 1.00 0.00 C ATOM 501 OG SER A 35 -10.462 -16.209 -6.109 1.00 0.00 O ATOM 0 H SER A 35 -9.784 -14.857 -4.754 1.00 0.00 H new ATOM 0 HA SER A 35 -7.798 -15.201 -6.874 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.713 -14.557 -7.327 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.757 -15.852 -8.020 1.00 0.00 H new ATOM 0 HG SER A 35 -11.215 -15.793 -5.640 1.00 0.00 H new ATOM 507 N ARG A 36 -8.744 -12.242 -6.308 1.00 0.00 N ATOM 508 CA ARG A 36 -8.624 -10.836 -6.785 1.00 0.00 C ATOM 509 C ARG A 36 -7.149 -10.437 -6.879 1.00 0.00 C ATOM 510 O ARG A 36 -6.813 -9.373 -7.360 1.00 0.00 O ATOM 511 CB ARG A 36 -9.337 -10.001 -5.720 1.00 0.00 C ATOM 512 CG ARG A 36 -10.581 -9.352 -6.327 1.00 0.00 C ATOM 513 CD ARG A 36 -11.381 -10.401 -7.102 1.00 0.00 C ATOM 514 NE ARG A 36 -12.789 -10.220 -6.654 1.00 0.00 N ATOM 515 CZ ARG A 36 -13.700 -11.093 -6.989 1.00 0.00 C ATOM 516 NH1 ARG A 36 -13.752 -11.546 -8.210 1.00 0.00 N ATOM 517 NH2 ARG A 36 -14.559 -11.512 -6.101 1.00 0.00 N ATOM 0 H ARG A 36 -8.977 -12.346 -5.321 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.056 -10.694 -7.775 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.618 -10.632 -4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.665 -9.234 -5.335 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.198 -8.918 -5.540 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.291 -8.537 -6.991 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.287 -10.253 -8.178 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.024 -11.408 -6.886 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.042 -9.413 -6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.081 -11.218 -8.905 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.464 -12.228 -8.471 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.519 -11.157 -5.145 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.271 -12.194 -6.362 1.00 0.00 H new ATOM 531 N GLY A 37 -6.267 -11.283 -6.421 1.00 0.00 N ATOM 532 CA GLY A 37 -4.815 -10.954 -6.482 1.00 0.00 C ATOM 533 C GLY A 37 -4.318 -10.593 -5.080 1.00 0.00 C ATOM 534 O GLY A 37 -4.858 -11.037 -4.087 1.00 0.00 O ATOM 0 H GLY A 37 -6.490 -12.188 -6.007 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.254 -11.804 -6.871 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.648 -10.121 -7.165 1.00 0.00 H new ATOM 538 N LYS A 38 -3.302 -9.779 -4.991 1.00 0.00 N ATOM 539 CA LYS A 38 -2.784 -9.377 -3.661 1.00 0.00 C ATOM 540 C LYS A 38 -3.488 -8.104 -3.227 1.00 0.00 C ATOM 541 O LYS A 38 -4.628 -7.858 -3.566 1.00 0.00 O ATOM 542 CB LYS A 38 -1.296 -9.087 -3.867 1.00 0.00 C ATOM 543 CG LYS A 38 -0.683 -10.102 -4.837 1.00 0.00 C ATOM 544 CD LYS A 38 -0.471 -9.444 -6.203 1.00 0.00 C ATOM 545 CE LYS A 38 0.717 -10.103 -6.905 1.00 0.00 C ATOM 546 NZ LYS A 38 1.913 -9.362 -6.418 1.00 0.00 N ATOM 0 H LYS A 38 -2.809 -9.376 -5.788 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.946 -10.145 -2.905 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.166 -8.078 -4.257 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.775 -9.128 -2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.267 -10.466 -4.446 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.339 -10.967 -4.937 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.370 -9.546 -6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.289 -8.376 -6.080 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.782 -11.163 -6.659 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.624 -10.033 -7.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.769 -9.758 -6.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.826 -8.357 -6.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.980 -9.453 -5.384 1.00 0.00 H new ATOM 560 N VAL A 39 -2.798 -7.271 -2.517 1.00 0.00 N ATOM 561 CA VAL A 39 -3.396 -5.984 -2.099 1.00 0.00 C ATOM 562 C VAL A 39 -2.626 -4.870 -2.797 1.00 0.00 C ATOM 563 O VAL A 39 -2.088 -5.053 -3.872 1.00 0.00 O ATOM 564 CB VAL A 39 -3.202 -5.899 -0.577 1.00 0.00 C ATOM 565 CG1 VAL A 39 -4.287 -5.004 0.023 1.00 0.00 C ATOM 566 CG2 VAL A 39 -3.298 -7.294 0.051 1.00 0.00 C ATOM 0 H VAL A 39 -1.839 -7.426 -2.206 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.452 -5.899 -2.354 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.216 -5.482 -0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.152 -4.942 1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.216 -4.006 -0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.268 -5.425 -0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.159 -7.218 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.279 -7.721 -0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.525 -7.937 -0.370 1.00 0.00 H new ATOM 576 N VAL A 40 -2.532 -3.739 -2.182 1.00 0.00 N ATOM 577 CA VAL A 40 -1.762 -2.622 -2.776 1.00 0.00 C ATOM 578 C VAL A 40 -1.361 -1.715 -1.641 1.00 0.00 C ATOM 579 O VAL A 40 -2.037 -0.765 -1.300 1.00 0.00 O ATOM 580 CB VAL A 40 -2.692 -1.921 -3.748 1.00 0.00 C ATOM 581 CG1 VAL A 40 -1.945 -0.746 -4.373 1.00 0.00 C ATOM 582 CG2 VAL A 40 -3.094 -2.909 -4.839 1.00 0.00 C ATOM 0 H VAL A 40 -2.961 -3.534 -1.280 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.865 -2.942 -3.307 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.583 -1.560 -3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.600 -0.230 -5.075 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.636 -0.054 -3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.065 -1.114 -4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.763 -2.418 -5.546 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.203 -3.255 -5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.603 -3.761 -4.389 1.00 0.00 H new ATOM 592 N GLU A 41 -0.290 -2.055 -1.015 1.00 0.00 N ATOM 593 CA GLU A 41 0.156 -1.282 0.158 1.00 0.00 C ATOM 594 C GLU A 41 1.384 -0.435 -0.164 1.00 0.00 C ATOM 595 O GLU A 41 2.503 -0.811 0.125 1.00 0.00 O ATOM 596 CB GLU A 41 0.486 -2.349 1.194 1.00 0.00 C ATOM 597 CG GLU A 41 -0.606 -3.425 1.200 1.00 0.00 C ATOM 598 CD GLU A 41 -1.151 -3.590 2.621 1.00 0.00 C ATOM 599 OE1 GLU A 41 -1.399 -2.580 3.258 1.00 0.00 O ATOM 600 OE2 GLU A 41 -1.309 -4.721 3.047 1.00 0.00 O ATOM 0 H GLU A 41 0.305 -2.844 -1.266 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.601 -0.577 0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.452 -2.800 0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.568 -1.896 2.182 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.411 -3.145 0.520 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.201 -4.372 0.842 1.00 0.00 H new ATOM 607 N LEU A 42 1.186 0.712 -0.749 1.00 0.00 N ATOM 608 CA LEU A 42 2.348 1.585 -1.073 1.00 0.00 C ATOM 609 C LEU A 42 2.676 2.459 0.138 1.00 0.00 C ATOM 610 O LEU A 42 2.225 2.204 1.238 1.00 0.00 O ATOM 611 CB LEU A 42 1.919 2.470 -2.257 1.00 0.00 C ATOM 612 CG LEU A 42 0.830 1.787 -3.090 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.537 2.344 -2.696 1.00 0.00 C ATOM 614 CD2 LEU A 42 1.077 2.069 -4.571 1.00 0.00 C ATOM 0 H LEU A 42 0.274 1.082 -1.016 1.00 0.00 H new ATOM 0 HA LEU A 42 3.232 0.999 -1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.551 3.426 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.783 2.684 -2.887 1.00 0.00 H new ATOM 0 HG LEU A 42 0.854 0.712 -2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.312 1.858 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.716 2.154 -1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.559 3.418 -2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.304 1.585 -5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.050 3.145 -4.746 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.054 1.679 -4.858 1.00 0.00 H new ATOM 626 N GLY A 43 3.447 3.495 -0.047 1.00 0.00 N ATOM 627 CA GLY A 43 3.780 4.381 1.110 1.00 0.00 C ATOM 628 C GLY A 43 5.048 5.183 0.816 1.00 0.00 C ATOM 629 O GLY A 43 5.300 5.575 -0.303 1.00 0.00 O ATOM 0 H GLY A 43 3.859 3.767 -0.940 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.950 5.059 1.308 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.922 3.780 2.008 1.00 0.00 H new ATOM 633 N CYS A 44 5.843 5.443 1.818 1.00 0.00 N ATOM 634 CA CYS A 44 7.088 6.223 1.600 1.00 0.00 C ATOM 635 C CYS A 44 8.304 5.356 1.919 1.00 0.00 C ATOM 636 O CYS A 44 8.203 4.370 2.622 1.00 0.00 O ATOM 637 CB CYS A 44 7.011 7.382 2.587 1.00 0.00 C ATOM 638 SG CYS A 44 5.340 8.081 2.615 1.00 0.00 S ATOM 0 H CYS A 44 5.681 5.147 2.780 1.00 0.00 H new ATOM 0 HA CYS A 44 7.183 6.565 0.569 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.284 7.037 3.584 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.730 8.153 2.309 1.00 0.00 H new ATOM 643 N ALA A 45 9.456 5.708 1.421 1.00 0.00 N ATOM 644 CA ALA A 45 10.657 4.891 1.720 1.00 0.00 C ATOM 645 C ALA A 45 11.930 5.583 1.238 1.00 0.00 C ATOM 646 O ALA A 45 11.893 6.494 0.433 1.00 0.00 O ATOM 647 CB ALA A 45 10.448 3.582 0.966 1.00 0.00 C ATOM 0 H ALA A 45 9.614 6.520 0.825 1.00 0.00 H new ATOM 0 HA ALA A 45 10.777 4.737 2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.299 2.923 1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.537 3.099 1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.359 3.787 -0.101 1.00 0.00 H new ATOM 653 N ALA A 46 13.060 5.138 1.717 1.00 0.00 N ATOM 654 CA ALA A 46 14.344 5.745 1.279 1.00 0.00 C ATOM 655 C ALA A 46 14.774 5.107 -0.044 1.00 0.00 C ATOM 656 O ALA A 46 15.428 5.719 -0.865 1.00 0.00 O ATOM 657 CB ALA A 46 15.342 5.413 2.389 1.00 0.00 C ATOM 0 H ALA A 46 13.147 4.379 2.393 1.00 0.00 H new ATOM 0 HA ALA A 46 14.272 6.821 1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.318 5.829 2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.996 5.842 3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.425 4.331 2.492 1.00 0.00 H new ATOM 663 N THR A 47 14.397 3.874 -0.249 1.00 0.00 N ATOM 664 CA THR A 47 14.758 3.167 -1.511 1.00 0.00 C ATOM 665 C THR A 47 13.992 1.843 -1.589 1.00 0.00 C ATOM 666 O THR A 47 13.853 1.146 -0.604 1.00 0.00 O ATOM 667 CB THR A 47 16.264 2.915 -1.412 1.00 0.00 C ATOM 668 OG1 THR A 47 16.685 2.135 -2.523 1.00 0.00 O ATOM 669 CG2 THR A 47 16.575 2.168 -0.114 1.00 0.00 C ATOM 0 H THR A 47 13.849 3.321 0.410 1.00 0.00 H new ATOM 0 HA THR A 47 14.507 3.742 -2.402 1.00 0.00 H new ATOM 0 HB THR A 47 16.793 3.868 -1.414 1.00 0.00 H new ATOM 0 HG1 THR A 47 17.650 1.974 -2.463 1.00 0.00 H new ATOM 0 HG21 THR A 47 17.648 1.989 -0.045 1.00 0.00 H new ATOM 0 HG22 THR A 47 16.252 2.767 0.737 1.00 0.00 H new ATOM 0 HG23 THR A 47 16.047 1.214 -0.108 1.00 0.00 H new ATOM 677 N CYS A 48 13.492 1.494 -2.747 1.00 0.00 N ATOM 678 CA CYS A 48 12.730 0.214 -2.882 1.00 0.00 C ATOM 679 C CYS A 48 13.403 -0.889 -2.057 1.00 0.00 C ATOM 680 O CYS A 48 14.356 -1.501 -2.497 1.00 0.00 O ATOM 681 CB CYS A 48 12.777 -0.117 -4.372 1.00 0.00 C ATOM 682 SG CYS A 48 11.269 0.487 -5.174 1.00 0.00 S ATOM 0 H CYS A 48 13.578 2.039 -3.605 1.00 0.00 H new ATOM 0 HA CYS A 48 11.706 0.298 -2.519 1.00 0.00 H new ATOM 0 HB2 CYS A 48 13.654 0.342 -4.830 1.00 0.00 H new ATOM 0 HB3 CYS A 48 12.870 -1.194 -4.513 1.00 0.00 H new ATOM 687 N PRO A 49 12.887 -1.088 -0.873 1.00 0.00 N ATOM 688 CA PRO A 49 13.442 -2.102 0.048 1.00 0.00 C ATOM 689 C PRO A 49 12.807 -3.478 -0.184 1.00 0.00 C ATOM 690 O PRO A 49 11.873 -3.627 -0.946 1.00 0.00 O ATOM 691 CB PRO A 49 13.055 -1.563 1.421 1.00 0.00 C ATOM 692 CG PRO A 49 11.843 -0.702 1.197 1.00 0.00 C ATOM 693 CD PRO A 49 11.746 -0.389 -0.280 1.00 0.00 C ATOM 0 HA PRO A 49 14.514 -2.248 -0.081 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.834 -2.376 2.112 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.870 -0.985 1.858 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.944 -1.217 1.535 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.920 0.219 1.776 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.803 -0.739 -0.700 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.798 0.684 -0.464 1.00 0.00 H new ATOM 701 N SER A 50 13.312 -4.478 0.488 1.00 0.00 N ATOM 702 CA SER A 50 12.761 -5.859 0.345 1.00 0.00 C ATOM 703 C SER A 50 12.726 -6.305 -1.115 1.00 0.00 C ATOM 704 O SER A 50 12.067 -5.717 -1.949 1.00 0.00 O ATOM 705 CB SER A 50 11.351 -5.795 0.924 1.00 0.00 C ATOM 706 OG SER A 50 10.406 -6.142 -0.079 1.00 0.00 O ATOM 0 H SER A 50 14.093 -4.396 1.139 1.00 0.00 H new ATOM 0 HA SER A 50 13.385 -6.587 0.864 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.264 -6.476 1.771 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.146 -4.792 1.299 1.00 0.00 H new ATOM 0 HG SER A 50 10.735 -5.848 -0.954 1.00 0.00 H new ATOM 712 N LYS A 51 13.426 -7.358 -1.415 1.00 0.00 N ATOM 713 CA LYS A 51 13.444 -7.885 -2.810 1.00 0.00 C ATOM 714 C LYS A 51 14.181 -9.225 -2.852 1.00 0.00 C ATOM 715 O LYS A 51 15.050 -9.441 -3.671 1.00 0.00 O ATOM 716 CB LYS A 51 14.188 -6.832 -3.630 1.00 0.00 C ATOM 717 CG LYS A 51 13.607 -6.784 -5.044 1.00 0.00 C ATOM 718 CD LYS A 51 14.355 -5.735 -5.868 1.00 0.00 C ATOM 719 CE LYS A 51 15.386 -6.427 -6.762 1.00 0.00 C ATOM 720 NZ LYS A 51 15.690 -5.439 -7.833 1.00 0.00 N ATOM 0 H LYS A 51 13.993 -7.884 -0.750 1.00 0.00 H new ATOM 0 HA LYS A 51 12.441 -8.060 -3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 51 14.098 -5.855 -3.155 1.00 0.00 H new ATOM 0 HB3 LYS A 51 15.251 -7.071 -3.670 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.693 -7.762 -5.517 1.00 0.00 H new ATOM 0 HG3 LYS A 51 12.545 -6.541 -5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.652 -5.167 -6.478 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.850 -5.024 -5.207 1.00 0.00 H new ATOM 0 HE2 LYS A 51 16.283 -6.689 -6.201 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.989 -7.352 -7.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 16.391 -5.841 -8.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 14.819 -5.213 -8.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 16.073 -4.571 -7.406 1.00 0.00 H new ATOM 734 N LYS A 52 13.855 -10.117 -1.959 1.00 0.00 N ATOM 735 CA LYS A 52 14.565 -11.435 -1.941 1.00 0.00 C ATOM 736 C LYS A 52 13.596 -12.630 -2.047 1.00 0.00 C ATOM 737 O LYS A 52 13.830 -13.522 -2.837 1.00 0.00 O ATOM 738 CB LYS A 52 15.333 -11.484 -0.611 1.00 0.00 C ATOM 739 CG LYS A 52 15.819 -10.082 -0.227 1.00 0.00 C ATOM 740 CD LYS A 52 16.791 -9.568 -1.292 1.00 0.00 C ATOM 741 CE LYS A 52 18.089 -9.112 -0.621 1.00 0.00 C ATOM 742 NZ LYS A 52 17.983 -7.628 -0.547 1.00 0.00 N ATOM 0 H LYS A 52 13.136 -9.997 -1.246 1.00 0.00 H new ATOM 0 HA LYS A 52 15.227 -11.516 -2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 52 14.690 -11.881 0.174 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.183 -12.160 -0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.971 -9.404 -0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.310 -10.110 0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.001 -10.354 -2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.342 -8.740 -1.840 1.00 0.00 H new ATOM 0 HE2 LYS A 52 18.196 -9.550 0.371 1.00 0.00 H new ATOM 0 HE3 LYS A 52 18.961 -9.417 -1.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 18.837 -7.241 -0.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.889 -7.238 -1.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.148 -7.367 0.015 1.00 0.00 H new ATOM 756 N PRO A 53 12.553 -12.644 -1.247 1.00 0.00 N ATOM 757 CA PRO A 53 11.608 -13.779 -1.282 1.00 0.00 C ATOM 758 C PRO A 53 10.532 -13.574 -2.354 1.00 0.00 C ATOM 759 O PRO A 53 10.692 -13.972 -3.491 1.00 0.00 O ATOM 760 CB PRO A 53 10.996 -13.770 0.114 1.00 0.00 C ATOM 761 CG PRO A 53 11.132 -12.360 0.613 1.00 0.00 C ATOM 762 CD PRO A 53 12.144 -11.645 -0.253 1.00 0.00 C ATOM 0 HA PRO A 53 12.091 -14.724 -1.532 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.950 -14.075 0.084 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.513 -14.469 0.772 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.170 -11.849 0.573 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.453 -12.355 1.655 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.708 -10.767 -0.730 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.994 -11.299 0.335 1.00 0.00 H new ATOM 770 N TYR A 54 9.431 -12.974 -1.996 1.00 0.00 N ATOM 771 CA TYR A 54 8.335 -12.763 -2.991 1.00 0.00 C ATOM 772 C TYR A 54 7.695 -11.386 -2.799 1.00 0.00 C ATOM 773 O TYR A 54 6.693 -11.069 -3.411 1.00 0.00 O ATOM 774 CB TYR A 54 7.304 -13.874 -2.722 1.00 0.00 C ATOM 775 CG TYR A 54 7.381 -14.325 -1.280 1.00 0.00 C ATOM 776 CD1 TYR A 54 7.273 -13.386 -0.247 1.00 0.00 C ATOM 777 CD2 TYR A 54 7.577 -15.678 -0.977 1.00 0.00 C ATOM 778 CE1 TYR A 54 7.358 -13.799 1.087 1.00 0.00 C ATOM 779 CE2 TYR A 54 7.664 -16.091 0.357 1.00 0.00 C ATOM 780 CZ TYR A 54 7.555 -15.152 1.390 1.00 0.00 C ATOM 781 OH TYR A 54 7.640 -15.560 2.705 1.00 0.00 O ATOM 0 H TYR A 54 9.240 -12.620 -1.059 1.00 0.00 H new ATOM 0 HA TYR A 54 8.711 -12.802 -4.013 1.00 0.00 H new ATOM 0 HB2 TYR A 54 6.301 -13.510 -2.943 1.00 0.00 H new ATOM 0 HB3 TYR A 54 7.489 -14.719 -3.385 1.00 0.00 H new ATOM 0 HD1 TYR A 54 7.124 -12.342 -0.480 1.00 0.00 H new ATOM 0 HD2 TYR A 54 7.661 -16.403 -1.773 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.272 -13.074 1.883 1.00 0.00 H new ATOM 0 HE2 TYR A 54 7.815 -17.135 0.590 1.00 0.00 H new ATOM 0 HH TYR A 54 7.776 -16.530 2.738 1.00 0.00 H new ATOM 791 N GLU A 55 8.261 -10.564 -1.960 1.00 0.00 N ATOM 792 CA GLU A 55 7.675 -9.211 -1.742 1.00 0.00 C ATOM 793 C GLU A 55 7.872 -8.354 -2.997 1.00 0.00 C ATOM 794 O GLU A 55 8.983 -8.060 -3.389 1.00 0.00 O ATOM 795 CB GLU A 55 8.452 -8.626 -0.561 1.00 0.00 C ATOM 796 CG GLU A 55 7.944 -9.246 0.742 1.00 0.00 C ATOM 797 CD GLU A 55 9.019 -9.116 1.822 1.00 0.00 C ATOM 798 OE1 GLU A 55 10.074 -8.586 1.519 1.00 0.00 O ATOM 799 OE2 GLU A 55 8.768 -9.550 2.935 1.00 0.00 O ATOM 0 H GLU A 55 9.100 -10.769 -1.418 1.00 0.00 H new ATOM 0 HA GLU A 55 6.604 -9.246 -1.541 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.517 -8.824 -0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.330 -7.543 -0.533 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.029 -8.747 1.062 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.696 -10.296 0.585 1.00 0.00 H new ATOM 806 N GLU A 56 6.803 -7.958 -3.630 1.00 0.00 N ATOM 807 CA GLU A 56 6.933 -7.130 -4.863 1.00 0.00 C ATOM 808 C GLU A 56 6.866 -5.643 -4.512 1.00 0.00 C ATOM 809 O GLU A 56 5.938 -4.950 -4.878 1.00 0.00 O ATOM 810 CB GLU A 56 5.744 -7.529 -5.738 1.00 0.00 C ATOM 811 CG GLU A 56 6.093 -8.793 -6.528 1.00 0.00 C ATOM 812 CD GLU A 56 6.250 -8.442 -8.009 1.00 0.00 C ATOM 813 OE1 GLU A 56 7.071 -7.593 -8.312 1.00 0.00 O ATOM 814 OE2 GLU A 56 5.546 -9.030 -8.813 1.00 0.00 O ATOM 0 H GLU A 56 5.846 -8.171 -3.348 1.00 0.00 H new ATOM 0 HA GLU A 56 7.884 -7.293 -5.370 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.865 -7.706 -5.118 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.493 -6.718 -6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.016 -9.230 -6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.311 -9.541 -6.402 1.00 0.00 H new ATOM 821 N VAL A 57 7.845 -5.145 -3.810 1.00 0.00 N ATOM 822 CA VAL A 57 7.836 -3.702 -3.444 1.00 0.00 C ATOM 823 C VAL A 57 8.108 -2.848 -4.684 1.00 0.00 C ATOM 824 O VAL A 57 8.689 -3.307 -5.648 1.00 0.00 O ATOM 825 CB VAL A 57 8.966 -3.544 -2.428 1.00 0.00 C ATOM 826 CG1 VAL A 57 8.937 -2.129 -1.846 1.00 0.00 C ATOM 827 CG2 VAL A 57 8.783 -4.563 -1.300 1.00 0.00 C ATOM 0 H VAL A 57 8.650 -5.674 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 57 6.877 -3.382 -3.037 1.00 0.00 H new ATOM 0 HB VAL A 57 9.923 -3.714 -2.921 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.743 -2.017 -1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.067 -1.403 -2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.980 -1.958 -1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.589 -4.451 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.825 -4.393 -0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.804 -5.571 -1.714 1.00 0.00 H new ATOM 837 N THR A 58 7.698 -1.610 -4.672 1.00 0.00 N ATOM 838 CA THR A 58 7.942 -0.736 -5.854 1.00 0.00 C ATOM 839 C THR A 58 8.300 0.675 -5.392 1.00 0.00 C ATOM 840 O THR A 58 8.404 0.941 -4.212 1.00 0.00 O ATOM 841 CB THR A 58 6.621 -0.732 -6.627 1.00 0.00 C ATOM 842 OG1 THR A 58 5.949 -1.966 -6.418 1.00 0.00 O ATOM 843 CG2 THR A 58 6.900 -0.547 -8.118 1.00 0.00 C ATOM 0 H THR A 58 7.206 -1.166 -3.897 1.00 0.00 H new ATOM 0 HA THR A 58 8.768 -1.091 -6.470 1.00 0.00 H new ATOM 0 HB THR A 58 5.995 0.088 -6.274 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.325 -1.876 -5.667 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.958 -0.544 -8.667 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.415 0.400 -8.277 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.526 -1.365 -8.475 1.00 0.00 H new ATOM 851 N CYS A 59 8.478 1.585 -6.308 1.00 0.00 N ATOM 852 CA CYS A 59 8.816 2.976 -5.901 1.00 0.00 C ATOM 853 C CYS A 59 8.065 3.985 -6.739 1.00 0.00 C ATOM 854 O CYS A 59 7.509 3.682 -7.775 1.00 0.00 O ATOM 855 CB CYS A 59 10.293 3.165 -6.187 1.00 0.00 C ATOM 856 SG CYS A 59 11.281 2.480 -4.832 1.00 0.00 S ATOM 0 H CYS A 59 8.405 1.428 -7.313 1.00 0.00 H new ATOM 0 HA CYS A 59 8.558 3.123 -4.852 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.556 2.674 -7.124 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.515 4.225 -6.310 1.00 0.00 H new ATOM 861 N CYS A 60 8.101 5.200 -6.307 1.00 0.00 N ATOM 862 CA CYS A 60 7.452 6.278 -7.082 1.00 0.00 C ATOM 863 C CYS A 60 7.789 7.646 -6.472 1.00 0.00 C ATOM 864 O CYS A 60 7.480 7.921 -5.332 1.00 0.00 O ATOM 865 CB CYS A 60 5.943 5.944 -7.070 1.00 0.00 C ATOM 866 SG CYS A 60 4.979 7.157 -6.125 1.00 0.00 S ATOM 0 H CYS A 60 8.555 5.498 -5.444 1.00 0.00 H new ATOM 0 HA CYS A 60 7.804 6.338 -8.112 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.573 5.907 -8.095 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.796 4.952 -6.642 1.00 0.00 H new ATOM 871 N SER A 61 8.416 8.507 -7.228 1.00 0.00 N ATOM 872 CA SER A 61 8.766 9.853 -6.688 1.00 0.00 C ATOM 873 C SER A 61 8.100 10.961 -7.519 1.00 0.00 C ATOM 874 O SER A 61 8.706 11.524 -8.410 1.00 0.00 O ATOM 875 CB SER A 61 10.287 9.939 -6.809 1.00 0.00 C ATOM 876 OG SER A 61 10.646 9.987 -8.184 1.00 0.00 O ATOM 0 H SER A 61 8.700 8.338 -8.193 1.00 0.00 H new ATOM 0 HA SER A 61 8.424 9.984 -5.661 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.655 10.826 -6.294 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.751 9.077 -6.330 1.00 0.00 H new ATOM 0 HG SER A 61 10.309 10.817 -8.581 1.00 0.00 H new ATOM 882 N THR A 62 6.861 11.282 -7.240 1.00 0.00 N ATOM 883 CA THR A 62 6.172 12.352 -8.016 1.00 0.00 C ATOM 884 C THR A 62 4.885 12.766 -7.294 1.00 0.00 C ATOM 885 O THR A 62 4.450 12.118 -6.364 1.00 0.00 O ATOM 886 CB THR A 62 5.848 11.724 -9.375 1.00 0.00 C ATOM 887 OG1 THR A 62 6.550 10.496 -9.510 1.00 0.00 O ATOM 888 CG2 THR A 62 6.268 12.679 -10.493 1.00 0.00 C ATOM 0 H THR A 62 6.299 10.848 -6.508 1.00 0.00 H new ATOM 0 HA THR A 62 6.786 13.246 -8.125 1.00 0.00 H new ATOM 0 HB THR A 62 4.776 11.538 -9.442 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.180 9.837 -8.885 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.037 12.231 -11.460 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.727 13.620 -10.390 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.340 12.868 -10.427 1.00 0.00 H new ATOM 896 N ASP A 63 4.273 13.838 -7.714 1.00 0.00 N ATOM 897 CA ASP A 63 3.017 14.287 -7.048 1.00 0.00 C ATOM 898 C ASP A 63 2.080 13.097 -6.819 1.00 0.00 C ATOM 899 O ASP A 63 1.325 12.714 -7.691 1.00 0.00 O ATOM 900 CB ASP A 63 2.387 15.286 -8.018 1.00 0.00 C ATOM 901 CG ASP A 63 2.575 16.707 -7.484 1.00 0.00 C ATOM 902 OD1 ASP A 63 3.560 16.936 -6.801 1.00 0.00 O ATOM 903 OD2 ASP A 63 1.730 17.541 -7.763 1.00 0.00 O ATOM 0 H ASP A 63 4.587 14.422 -8.489 1.00 0.00 H new ATOM 0 HA ASP A 63 3.207 14.732 -6.071 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.847 15.193 -9.002 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.326 15.070 -8.140 1.00 0.00 H new ATOM 908 N LYS A 64 2.121 12.510 -5.655 1.00 0.00 N ATOM 909 CA LYS A 64 1.231 11.346 -5.373 1.00 0.00 C ATOM 910 C LYS A 64 1.311 10.330 -6.515 1.00 0.00 C ATOM 911 O LYS A 64 0.335 10.066 -7.188 1.00 0.00 O ATOM 912 CB LYS A 64 -0.178 11.937 -5.290 1.00 0.00 C ATOM 913 CG LYS A 64 -0.218 13.021 -4.212 1.00 0.00 C ATOM 914 CD LYS A 64 -0.267 14.400 -4.873 1.00 0.00 C ATOM 915 CE LYS A 64 -1.683 14.969 -4.762 1.00 0.00 C ATOM 916 NZ LYS A 64 -1.541 16.415 -5.090 1.00 0.00 N ATOM 0 H LYS A 64 2.732 12.785 -4.886 1.00 0.00 H new ATOM 0 HA LYS A 64 1.513 10.824 -4.459 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.464 12.358 -6.254 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.899 11.153 -5.058 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.090 12.881 -3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.661 12.944 -3.572 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.445 15.071 -4.392 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.025 14.324 -5.920 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.364 14.472 -5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.088 14.829 -3.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.471 16.876 -5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.892 16.863 -4.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.160 16.517 -6.052 1.00 0.00 H new ATOM 930 N CYS A 65 2.460 9.752 -6.739 1.00 0.00 N ATOM 931 CA CYS A 65 2.570 8.753 -7.842 1.00 0.00 C ATOM 932 C CYS A 65 2.308 7.338 -7.321 1.00 0.00 C ATOM 933 O CYS A 65 2.783 6.367 -7.878 1.00 0.00 O ATOM 934 CB CYS A 65 3.980 8.870 -8.427 1.00 0.00 C ATOM 935 SG CYS A 65 5.217 8.889 -7.120 1.00 0.00 S ATOM 0 H CYS A 65 3.317 9.925 -6.214 1.00 0.00 H new ATOM 0 HA CYS A 65 1.824 8.950 -8.612 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.169 8.034 -9.100 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.058 9.781 -9.020 1.00 0.00 H new ATOM 940 N ASN A 66 1.556 7.207 -6.260 1.00 0.00 N ATOM 941 CA ASN A 66 1.268 5.848 -5.712 1.00 0.00 C ATOM 942 C ASN A 66 -0.208 5.445 -5.922 1.00 0.00 C ATOM 943 O ASN A 66 -0.761 4.741 -5.102 1.00 0.00 O ATOM 944 CB ASN A 66 1.565 5.966 -4.212 1.00 0.00 C ATOM 945 CG ASN A 66 2.863 5.232 -3.852 1.00 0.00 C ATOM 946 OD1 ASN A 66 3.081 4.897 -2.704 1.00 0.00 O ATOM 947 ND2 ASN A 66 3.739 4.965 -4.780 1.00 0.00 N ATOM 0 H ASN A 66 1.129 7.980 -5.750 1.00 0.00 H new ATOM 0 HA ASN A 66 1.866 5.085 -6.211 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.648 7.017 -3.935 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.736 5.550 -3.639 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.602 4.477 -4.541 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.561 5.244 -5.745 1.00 0.00 H new ATOM 954 N PRO A 67 -0.813 5.886 -7.009 1.00 0.00 N ATOM 955 CA PRO A 67 -2.227 5.525 -7.267 1.00 0.00 C ATOM 956 C PRO A 67 -2.321 4.098 -7.813 1.00 0.00 C ATOM 957 O PRO A 67 -1.816 3.798 -8.878 1.00 0.00 O ATOM 958 CB PRO A 67 -2.668 6.522 -8.332 1.00 0.00 C ATOM 959 CG PRO A 67 -1.412 6.921 -9.038 1.00 0.00 C ATOM 960 CD PRO A 67 -0.270 6.741 -8.071 1.00 0.00 C ATOM 0 HA PRO A 67 -2.842 5.560 -6.368 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.382 6.072 -9.022 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.159 7.386 -7.884 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.261 6.309 -9.927 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.472 7.957 -9.371 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.589 6.275 -8.554 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.068 7.698 -7.675 1.00 0.00 H new ATOM 968 N HIS A 68 -2.975 3.222 -7.108 1.00 0.00 N ATOM 969 CA HIS A 68 -3.113 1.824 -7.602 1.00 0.00 C ATOM 970 C HIS A 68 -4.487 1.685 -8.268 1.00 0.00 C ATOM 971 O HIS A 68 -5.174 2.673 -8.428 1.00 0.00 O ATOM 972 CB HIS A 68 -2.999 0.971 -6.334 1.00 0.00 C ATOM 973 CG HIS A 68 -4.150 1.264 -5.412 1.00 0.00 C ATOM 974 ND1 HIS A 68 -5.276 0.458 -5.349 1.00 0.00 N ATOM 975 CD2 HIS A 68 -4.354 2.266 -4.498 1.00 0.00 C ATOM 976 CE1 HIS A 68 -6.101 0.986 -4.429 1.00 0.00 C ATOM 977 NE2 HIS A 68 -5.588 2.090 -3.878 1.00 0.00 N ATOM 0 H HIS A 68 -3.421 3.412 -6.210 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.369 1.527 -8.341 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.993 -0.087 -6.597 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.056 1.179 -5.829 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -5.447 -0.383 -5.901 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.663 3.069 -4.291 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -7.062 0.569 -4.167 1.00 0.00 H new ATOM 985 N PRO A 69 -4.873 0.486 -8.629 1.00 0.00 N ATOM 986 CA PRO A 69 -6.199 0.310 -9.246 1.00 0.00 C ATOM 987 C PRO A 69 -7.227 0.335 -8.121 1.00 0.00 C ATOM 988 O PRO A 69 -7.658 -0.687 -7.623 1.00 0.00 O ATOM 989 CB PRO A 69 -6.112 -1.051 -9.927 1.00 0.00 C ATOM 990 CG PRO A 69 -5.043 -1.798 -9.193 1.00 0.00 C ATOM 991 CD PRO A 69 -4.151 -0.787 -8.505 1.00 0.00 C ATOM 0 HA PRO A 69 -6.485 1.077 -9.966 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -7.065 -1.577 -9.875 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.863 -0.946 -10.983 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.485 -2.475 -8.462 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -4.463 -2.409 -9.884 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -3.986 -1.050 -7.460 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.171 -0.735 -8.979 1.00 0.00 H new ATOM 999 N LYS A 70 -7.580 1.512 -7.688 1.00 0.00 N ATOM 1000 CA LYS A 70 -8.537 1.641 -6.555 1.00 0.00 C ATOM 1001 C LYS A 70 -9.947 1.932 -7.055 1.00 0.00 C ATOM 1002 O LYS A 70 -10.777 1.049 -7.145 1.00 0.00 O ATOM 1003 CB LYS A 70 -8.043 2.812 -5.668 1.00 0.00 C ATOM 1004 CG LYS A 70 -6.708 3.403 -6.150 1.00 0.00 C ATOM 1005 CD LYS A 70 -6.971 4.522 -7.163 1.00 0.00 C ATOM 1006 CE LYS A 70 -5.844 5.554 -7.083 1.00 0.00 C ATOM 1007 NZ LYS A 70 -6.423 6.801 -7.656 1.00 0.00 N ATOM 0 H LYS A 70 -7.245 2.395 -8.072 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.577 0.707 -5.994 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.799 3.597 -5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.931 2.462 -4.642 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.145 3.793 -5.302 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.098 2.623 -6.606 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.031 4.109 -8.170 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.930 4.997 -6.956 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.520 5.706 -6.053 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.970 5.229 -7.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.709 7.557 -7.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.716 6.628 -8.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.249 7.090 -7.094 1.00 0.00 H new ATOM 1021 N GLN A 71 -10.239 3.163 -7.357 1.00 0.00 N ATOM 1022 CA GLN A 71 -11.609 3.494 -7.819 1.00 0.00 C ATOM 1023 C GLN A 71 -11.746 3.206 -9.318 1.00 0.00 C ATOM 1024 O GLN A 71 -11.819 4.110 -10.125 1.00 0.00 O ATOM 1025 CB GLN A 71 -11.774 4.988 -7.541 1.00 0.00 C ATOM 1026 CG GLN A 71 -12.425 5.182 -6.168 1.00 0.00 C ATOM 1027 CD GLN A 71 -11.623 6.205 -5.363 1.00 0.00 C ATOM 1028 OE1 GLN A 71 -11.723 7.393 -5.597 1.00 0.00 O ATOM 1029 NE2 GLN A 71 -10.826 5.792 -4.415 1.00 0.00 N ATOM 0 H GLN A 71 -9.592 3.949 -7.304 1.00 0.00 H new ATOM 0 HA GLN A 71 -12.370 2.901 -7.311 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.804 5.483 -7.569 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.389 5.447 -8.315 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -13.454 5.522 -6.286 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.463 4.232 -5.634 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.742 4.795 -4.218 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.288 6.467 -3.871 1.00 0.00 H new ATOM 1104 N ARG B 2 -10.395 -3.637 1.783 1.00 0.00 N ATOM 1105 CA ARG B 2 -8.973 -3.589 1.334 1.00 0.00 C ATOM 1106 C ARG B 2 -8.793 -2.637 0.158 1.00 0.00 C ATOM 1107 O ARG B 2 -9.662 -2.484 -0.677 1.00 0.00 O ATOM 1108 CB ARG B 2 -8.643 -5.011 0.857 1.00 0.00 C ATOM 1109 CG ARG B 2 -8.284 -5.892 2.056 1.00 0.00 C ATOM 1110 CD ARG B 2 -7.019 -5.357 2.728 1.00 0.00 C ATOM 1111 NE ARG B 2 -6.384 -6.552 3.351 1.00 0.00 N ATOM 1112 CZ ARG B 2 -5.773 -6.445 4.500 1.00 0.00 C ATOM 1113 NH1 ARG B 2 -6.311 -5.749 5.463 1.00 0.00 N ATOM 1114 NH2 ARG B 2 -4.624 -7.036 4.684 1.00 0.00 N ATOM 0 HA ARG B 2 -8.330 -3.244 2.144 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -9.497 -5.433 0.327 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -7.812 -4.984 0.153 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -9.108 -5.906 2.769 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -8.127 -6.920 1.730 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -6.354 -4.889 2.003 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -7.258 -4.601 3.476 1.00 0.00 H new ATOM 0 HE ARG B 2 -6.427 -7.455 2.879 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -7.209 -5.288 5.319 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -5.833 -5.666 6.360 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -4.204 -7.581 3.931 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -4.146 -6.953 5.581 1.00 0.00 H new ATOM 1128 N TYR B 3 -7.629 -2.074 0.042 1.00 0.00 N ATOM 1129 CA TYR B 3 -7.336 -1.219 -1.135 1.00 0.00 C ATOM 1130 C TYR B 3 -6.604 -2.154 -2.066 1.00 0.00 C ATOM 1131 O TYR B 3 -5.454 -1.964 -2.409 1.00 0.00 O ATOM 1132 CB TYR B 3 -6.407 -0.077 -0.692 1.00 0.00 C ATOM 1133 CG TYR B 3 -6.403 0.070 0.809 1.00 0.00 C ATOM 1134 CD1 TYR B 3 -5.517 -0.692 1.578 1.00 0.00 C ATOM 1135 CD2 TYR B 3 -7.275 0.972 1.429 1.00 0.00 C ATOM 1136 CE1 TYR B 3 -5.504 -0.558 2.968 1.00 0.00 C ATOM 1137 CE2 TYR B 3 -7.261 1.108 2.820 1.00 0.00 C ATOM 1138 CZ TYR B 3 -6.375 0.342 3.590 1.00 0.00 C ATOM 1139 OH TYR B 3 -6.359 0.473 4.962 1.00 0.00 O ATOM 0 H TYR B 3 -6.866 -2.169 0.712 1.00 0.00 H new ATOM 0 HA TYR B 3 -8.218 -0.771 -1.594 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -5.394 -0.271 -1.044 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -6.730 0.857 -1.151 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -4.843 -1.384 1.096 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -7.957 1.561 0.834 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -4.822 -1.149 3.562 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -7.933 1.803 3.301 1.00 0.00 H new ATOM 0 HH TYR B 3 -6.941 1.216 5.226 1.00 0.00 H new ATOM 1149 N TYR B 4 -7.264 -3.218 -2.405 1.00 0.00 N ATOM 1150 CA TYR B 4 -6.632 -4.257 -3.236 1.00 0.00 C ATOM 1151 C TYR B 4 -6.320 -3.742 -4.620 1.00 0.00 C ATOM 1152 O TYR B 4 -6.454 -2.576 -4.934 1.00 0.00 O ATOM 1153 CB TYR B 4 -7.680 -5.364 -3.339 1.00 0.00 C ATOM 1154 CG TYR B 4 -7.152 -6.652 -2.757 1.00 0.00 C ATOM 1155 CD1 TYR B 4 -6.539 -6.658 -1.497 1.00 0.00 C ATOM 1156 CD2 TYR B 4 -7.287 -7.845 -3.474 1.00 0.00 C ATOM 1157 CE1 TYR B 4 -6.062 -7.858 -0.959 1.00 0.00 C ATOM 1158 CE2 TYR B 4 -6.809 -9.045 -2.938 1.00 0.00 C ATOM 1159 CZ TYR B 4 -6.196 -9.052 -1.679 1.00 0.00 C ATOM 1160 OH TYR B 4 -5.725 -10.235 -1.148 1.00 0.00 O ATOM 0 H TYR B 4 -8.229 -3.411 -2.135 1.00 0.00 H new ATOM 0 HA TYR B 4 -5.690 -4.591 -2.800 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -8.586 -5.065 -2.811 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -7.955 -5.516 -4.383 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -6.435 -5.737 -0.942 1.00 0.00 H new ATOM 0 HD2 TYR B 4 -7.762 -7.840 -4.444 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -5.590 -7.864 0.012 1.00 0.00 H new ATOM 0 HE2 TYR B 4 -6.912 -9.965 -3.494 1.00 0.00 H new ATOM 0 HH TYR B 4 -5.346 -10.787 -1.864 1.00 0.00 H new ATOM 1170 N GLU B 5 -5.892 -4.635 -5.434 1.00 0.00 N ATOM 1171 CA GLU B 5 -5.530 -4.279 -6.835 1.00 0.00 C ATOM 1172 C GLU B 5 -6.770 -4.294 -7.735 1.00 0.00 C ATOM 1173 O GLU B 5 -6.705 -4.681 -8.885 1.00 0.00 O ATOM 1174 CB GLU B 5 -4.538 -5.357 -7.269 1.00 0.00 C ATOM 1175 CG GLU B 5 -4.135 -5.127 -8.726 1.00 0.00 C ATOM 1176 CD GLU B 5 -2.609 -5.093 -8.835 1.00 0.00 C ATOM 1177 OE1 GLU B 5 -2.038 -4.051 -8.556 1.00 0.00 O ATOM 1178 OE2 GLU B 5 -2.038 -6.109 -9.194 1.00 0.00 O ATOM 0 H GLU B 5 -5.770 -5.620 -5.197 1.00 0.00 H new ATOM 0 HA GLU B 5 -5.107 -3.277 -6.907 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -3.656 -5.333 -6.629 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -4.986 -6.344 -7.157 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -4.537 -5.921 -9.355 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -4.557 -4.189 -9.087 1.00 0.00 H new ATOM 1185 N SER B 6 -7.898 -3.872 -7.228 1.00 0.00 N ATOM 1186 CA SER B 6 -9.131 -3.864 -8.070 1.00 0.00 C ATOM 1187 C SER B 6 -10.345 -3.408 -7.253 1.00 0.00 C ATOM 1188 O SER B 6 -11.445 -3.890 -7.443 1.00 0.00 O ATOM 1189 CB SER B 6 -9.310 -5.313 -8.526 1.00 0.00 C ATOM 1190 OG SER B 6 -10.340 -5.923 -7.760 1.00 0.00 O ATOM 0 H SER B 6 -8.019 -3.534 -6.273 1.00 0.00 H new ATOM 0 HA SER B 6 -9.043 -3.175 -8.910 1.00 0.00 H new ATOM 0 HB2 SER B 6 -9.562 -5.344 -9.586 1.00 0.00 H new ATOM 0 HB3 SER B 6 -8.377 -5.863 -8.404 1.00 0.00 H new ATOM 0 HG SER B 6 -11.192 -5.472 -7.939 1.00 0.00 H new ATOM 1196 N SER B 7 -10.163 -2.484 -6.349 1.00 0.00 N ATOM 1197 CA SER B 7 -11.321 -2.010 -5.535 1.00 0.00 C ATOM 1198 C SER B 7 -10.855 -1.045 -4.441 1.00 0.00 C ATOM 1199 O SER B 7 -9.785 -1.193 -3.882 1.00 0.00 O ATOM 1200 CB SER B 7 -11.910 -3.275 -4.915 1.00 0.00 C ATOM 1201 OG SER B 7 -10.866 -4.209 -4.674 1.00 0.00 O ATOM 0 H SER B 7 -9.270 -2.039 -6.139 1.00 0.00 H new ATOM 0 HA SER B 7 -12.050 -1.469 -6.138 1.00 0.00 H new ATOM 0 HB2 SER B 7 -12.420 -3.033 -3.982 1.00 0.00 H new ATOM 0 HB3 SER B 7 -12.655 -3.708 -5.583 1.00 0.00 H new ATOM 0 HG SER B 7 -11.240 -5.022 -4.275 1.00 0.00 H new ATOM 1207 N LEU B 8 -11.653 -0.058 -4.128 1.00 0.00 N ATOM 1208 CA LEU B 8 -11.260 0.915 -3.069 1.00 0.00 C ATOM 1209 C LEU B 8 -12.470 1.284 -2.207 1.00 0.00 C ATOM 1210 O LEU B 8 -12.626 2.416 -1.794 1.00 0.00 O ATOM 1211 CB LEU B 8 -10.748 2.142 -3.826 1.00 0.00 C ATOM 1212 CG LEU B 8 -9.653 2.831 -3.008 1.00 0.00 C ATOM 1213 CD1 LEU B 8 -10.255 3.395 -1.722 1.00 0.00 C ATOM 1214 CD2 LEU B 8 -8.565 1.813 -2.664 1.00 0.00 C ATOM 0 H LEU B 8 -12.560 0.116 -4.561 1.00 0.00 H new ATOM 0 HA LEU B 8 -10.506 0.506 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -10.356 1.844 -4.799 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -11.568 2.836 -4.011 1.00 0.00 H new ATOM 0 HG LEU B 8 -9.219 3.645 -3.588 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -9.475 3.886 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -11.032 4.118 -1.971 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -10.689 2.584 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -7.783 2.299 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -8.999 1.000 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -8.137 1.413 -3.583 1.00 0.00 H new