USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 560 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 86 HIS HE2 : A 86 HIS NE2 : A 256 ZNZN :(H bumps) USER MOD NoAdj-H: A 114 HIS HE2 : A 114 HIS NE2 : A 456 ZNZN :(H bumps) USER MOD Set 1.1: A 88 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 93 MET CE :methyl -157:sc= -0.177 (180deg=-1.09) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -44:sc= 0.814 USER MOD Single : A 60 SER OG : rot 180:sc= -0.055 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.364 K(o=-0.36,f=-4.2!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -166:sc= -0.0147 (180deg=-0.17) USER MOD Single : A 81 GLN : amide:sc= -5.08! C(o=-5.1!,f=-7.2!) USER MOD Single : A 90 MET CE :methyl -148:sc= -0.271 (180deg=-1.62) USER MOD Single : A 91 THR OG1 : rot -73:sc= -0.313 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -19:sc= -0.361 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 62:sc= 0.126 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0.33) USER MOD Single : A 108 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.126) USER MOD Single : A 119 SER OG : rot -46:sc= -0.817 USER MOD Single : A 120 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0756) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 CYS SG : rot 137:sc= -0.389 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 56 -4.733 16.115 0.889 1.00 0.00 N ATOM 2 CA GLY A 56 -5.612 15.666 -0.175 1.00 0.00 C ATOM 3 C GLY A 56 -6.987 15.278 0.333 1.00 0.00 C ATOM 4 O GLY A 56 -7.998 15.811 -0.124 1.00 0.00 O ATOM 0 HA2 GLY A 56 -5.713 16.458 -0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.160 14.812 -0.679 1.00 0.00 H new ATOM 8 N SER A 57 -7.025 14.346 1.280 1.00 0.00 N ATOM 9 CA SER A 57 -8.286 13.883 1.847 1.00 0.00 C ATOM 10 C SER A 57 -9.306 13.603 0.747 1.00 0.00 C ATOM 11 O SER A 57 -10.477 13.962 0.865 1.00 0.00 O ATOM 12 CB SER A 57 -8.843 14.922 2.822 1.00 0.00 C ATOM 13 OG SER A 57 -8.084 14.958 4.018 1.00 0.00 O ATOM 0 H SER A 57 -6.197 13.897 1.671 1.00 0.00 H new ATOM 0 HA SER A 57 -8.095 12.955 2.386 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.835 15.906 2.353 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.882 14.687 3.054 1.00 0.00 H new ATOM 0 HG SER A 57 -8.459 15.631 4.623 1.00 0.00 H new ATOM 19 N SER A 58 -8.850 12.960 -0.323 1.00 0.00 N ATOM 20 CA SER A 58 -9.721 12.634 -1.447 1.00 0.00 C ATOM 21 C SER A 58 -10.378 11.272 -1.249 1.00 0.00 C ATOM 22 O SER A 58 -10.731 10.594 -2.213 1.00 0.00 O ATOM 23 CB SER A 58 -8.926 12.644 -2.755 1.00 0.00 C ATOM 24 OG SER A 58 -9.779 12.461 -3.871 1.00 0.00 O ATOM 0 H SER A 58 -7.883 12.655 -0.436 1.00 0.00 H new ATOM 0 HA SER A 58 -10.504 13.391 -1.499 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.392 13.589 -2.853 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.175 11.854 -2.734 1.00 0.00 H new ATOM 0 HG SER A 58 -10.424 11.750 -3.676 1.00 0.00 H new ATOM 30 N GLY A 59 -10.539 10.877 0.011 1.00 0.00 N ATOM 31 CA GLY A 59 -11.153 9.598 0.315 1.00 0.00 C ATOM 32 C GLY A 59 -10.591 8.969 1.574 1.00 0.00 C ATOM 33 O GLY A 59 -9.517 9.351 2.040 1.00 0.00 O ATOM 0 H GLY A 59 -10.255 11.420 0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.229 9.733 0.429 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.004 8.919 -0.524 1.00 0.00 H new ATOM 37 N SER A 60 -11.318 8.004 2.127 1.00 0.00 N ATOM 38 CA SER A 60 -10.887 7.325 3.344 1.00 0.00 C ATOM 39 C SER A 60 -9.411 6.948 3.262 1.00 0.00 C ATOM 40 O SER A 60 -8.797 7.028 2.199 1.00 0.00 O ATOM 41 CB SER A 60 -11.733 6.072 3.580 1.00 0.00 C ATOM 42 OG SER A 60 -11.505 5.539 4.873 1.00 0.00 O ATOM 0 H SER A 60 -12.208 7.675 1.752 1.00 0.00 H new ATOM 0 HA SER A 60 -11.023 8.010 4.181 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.789 6.315 3.465 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.495 5.321 2.827 1.00 0.00 H new ATOM 0 HG SER A 60 -12.058 4.740 5.000 1.00 0.00 H new ATOM 48 N SER A 61 -8.848 6.538 4.395 1.00 0.00 N ATOM 49 CA SER A 61 -7.443 6.152 4.454 1.00 0.00 C ATOM 50 C SER A 61 -7.301 4.649 4.669 1.00 0.00 C ATOM 51 O SER A 61 -6.574 3.972 3.942 1.00 0.00 O ATOM 52 CB SER A 61 -6.732 6.909 5.577 1.00 0.00 C ATOM 53 OG SER A 61 -5.333 6.955 5.355 1.00 0.00 O ATOM 0 H SER A 61 -9.343 6.465 5.284 1.00 0.00 H new ATOM 0 HA SER A 61 -6.980 6.410 3.501 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.126 7.923 5.643 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.936 6.425 6.532 1.00 0.00 H new ATOM 0 HG SER A 61 -4.902 7.446 6.086 1.00 0.00 H new ATOM 59 N GLY A 62 -8.002 4.132 5.674 1.00 0.00 N ATOM 60 CA GLY A 62 -7.941 2.712 5.968 1.00 0.00 C ATOM 61 C GLY A 62 -8.993 1.919 5.219 1.00 0.00 C ATOM 62 O GLY A 62 -9.750 1.158 5.820 1.00 0.00 O ATOM 0 H GLY A 62 -8.611 4.671 6.290 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.952 2.333 5.710 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.071 2.560 7.040 1.00 0.00 H new ATOM 66 N GLU A 63 -9.042 2.099 3.902 1.00 0.00 N ATOM 67 CA GLU A 63 -10.012 1.395 3.072 1.00 0.00 C ATOM 68 C GLU A 63 -9.836 -0.116 3.191 1.00 0.00 C ATOM 69 O GLU A 63 -8.987 -0.597 3.942 1.00 0.00 O ATOM 70 CB GLU A 63 -9.870 1.822 1.609 1.00 0.00 C ATOM 71 CG GLU A 63 -8.447 1.732 1.085 1.00 0.00 C ATOM 72 CD GLU A 63 -8.155 2.761 0.009 1.00 0.00 C ATOM 73 OE1 GLU A 63 -9.022 2.965 -0.865 1.00 0.00 O ATOM 74 OE2 GLU A 63 -7.060 3.360 0.042 1.00 0.00 O ATOM 0 H GLU A 63 -8.422 2.725 3.388 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.010 1.656 3.424 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.516 1.197 0.992 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.223 2.848 1.503 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.750 1.869 1.912 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.274 0.733 0.684 1.00 0.00 H new ATOM 81 N LYS A 64 -10.646 -0.861 2.445 1.00 0.00 N ATOM 82 CA LYS A 64 -10.581 -2.317 2.465 1.00 0.00 C ATOM 83 C LYS A 64 -9.345 -2.817 1.724 1.00 0.00 C ATOM 84 O LYS A 64 -9.141 -4.023 1.576 1.00 0.00 O ATOM 85 CB LYS A 64 -11.842 -2.913 1.835 1.00 0.00 C ATOM 86 CG LYS A 64 -13.125 -2.235 2.284 1.00 0.00 C ATOM 87 CD LYS A 64 -14.350 -2.919 1.702 1.00 0.00 C ATOM 88 CE LYS A 64 -14.674 -4.208 2.442 1.00 0.00 C ATOM 89 NZ LYS A 64 -15.355 -5.197 1.561 1.00 0.00 N ATOM 0 H LYS A 64 -11.355 -0.479 1.819 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.515 -2.638 3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.764 -2.842 0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.895 -3.973 2.082 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.183 -2.248 3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.111 -1.189 1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.204 -2.244 1.754 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.180 -3.137 0.648 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.754 -4.643 2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.311 -3.985 3.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.559 -6.061 2.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.245 -4.792 1.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.737 -5.429 0.757 1.00 0.00 H new ATOM 103 N THR A 65 -8.520 -1.883 1.260 1.00 0.00 N ATOM 104 CA THR A 65 -7.304 -2.229 0.535 1.00 0.00 C ATOM 105 C THR A 65 -6.689 -3.515 1.075 1.00 0.00 C ATOM 106 O THR A 65 -6.172 -4.334 0.315 1.00 0.00 O ATOM 107 CB THR A 65 -6.260 -1.099 0.618 1.00 0.00 C ATOM 108 OG1 THR A 65 -4.997 -1.563 0.129 1.00 0.00 O ATOM 109 CG2 THR A 65 -6.107 -0.608 2.050 1.00 0.00 C ATOM 0 H THR A 65 -8.672 -0.881 1.374 1.00 0.00 H new ATOM 0 HA THR A 65 -7.588 -2.375 -0.507 1.00 0.00 H new ATOM 0 HB THR A 65 -6.605 -0.269 0.001 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.339 -0.839 0.184 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.365 0.190 2.084 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.064 -0.229 2.409 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.783 -1.433 2.685 1.00 0.00 H new ATOM 117 N VAL A 66 -6.748 -3.686 2.392 1.00 0.00 N ATOM 118 CA VAL A 66 -6.198 -4.874 3.033 1.00 0.00 C ATOM 119 C VAL A 66 -7.241 -5.983 3.124 1.00 0.00 C ATOM 120 O VAL A 66 -8.412 -5.727 3.403 1.00 0.00 O ATOM 121 CB VAL A 66 -5.677 -4.558 4.448 1.00 0.00 C ATOM 122 CG1 VAL A 66 -5.469 -5.840 5.240 1.00 0.00 C ATOM 123 CG2 VAL A 66 -4.389 -3.753 4.373 1.00 0.00 C ATOM 0 H VAL A 66 -7.171 -3.017 3.035 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.367 -5.211 2.414 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.425 -3.957 4.966 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.101 -5.596 6.237 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.416 -6.374 5.323 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.741 -6.470 4.728 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.035 -3.538 5.381 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.632 -4.326 3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.575 -2.817 3.847 1.00 0.00 H new ATOM 133 N VAL A 67 -6.807 -7.217 2.887 1.00 0.00 N ATOM 134 CA VAL A 67 -7.703 -8.366 2.943 1.00 0.00 C ATOM 135 C VAL A 67 -7.879 -8.856 4.376 1.00 0.00 C ATOM 136 O VAL A 67 -6.903 -9.137 5.072 1.00 0.00 O ATOM 137 CB VAL A 67 -7.181 -9.527 2.076 1.00 0.00 C ATOM 138 CG1 VAL A 67 -7.946 -10.806 2.379 1.00 0.00 C ATOM 139 CG2 VAL A 67 -7.279 -9.174 0.599 1.00 0.00 C ATOM 0 H VAL A 67 -5.841 -7.446 2.654 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.666 -8.036 2.554 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.131 -9.695 2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.563 -11.615 1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.819 -11.065 3.430 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.005 -10.656 2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.906 -10.005 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.320 -8.979 0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.682 -8.285 0.397 1.00 0.00 H new ATOM 149 N CYS A 68 -9.130 -8.956 4.812 1.00 0.00 N ATOM 150 CA CYS A 68 -9.436 -9.412 6.162 1.00 0.00 C ATOM 151 C CYS A 68 -8.566 -10.607 6.542 1.00 0.00 C ATOM 152 O CYS A 68 -8.303 -11.485 5.720 1.00 0.00 O ATOM 153 CB CYS A 68 -10.915 -9.788 6.273 1.00 0.00 C ATOM 154 SG CYS A 68 -11.489 -10.049 7.982 1.00 0.00 S ATOM 0 H CYS A 68 -9.949 -8.727 4.249 1.00 0.00 H new ATOM 0 HA CYS A 68 -9.223 -8.595 6.852 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -11.514 -9.001 5.816 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -11.092 -10.697 5.699 1.00 0.00 H new ATOM 159 N LYS A 69 -8.124 -10.635 7.795 1.00 0.00 N ATOM 160 CA LYS A 69 -7.285 -11.722 8.287 1.00 0.00 C ATOM 161 C LYS A 69 -8.138 -12.870 8.817 1.00 0.00 C ATOM 162 O LYS A 69 -7.735 -14.032 8.766 1.00 0.00 O ATOM 163 CB LYS A 69 -6.352 -11.215 9.388 1.00 0.00 C ATOM 164 CG LYS A 69 -7.082 -10.724 10.626 1.00 0.00 C ATOM 165 CD LYS A 69 -6.238 -9.739 11.418 1.00 0.00 C ATOM 166 CE LYS A 69 -6.183 -8.380 10.738 1.00 0.00 C ATOM 167 NZ LYS A 69 -5.718 -7.313 11.668 1.00 0.00 N ATOM 0 H LYS A 69 -8.333 -9.917 8.489 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.687 -12.092 7.454 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.670 -12.017 9.672 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.742 -10.404 8.991 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.018 -10.249 10.333 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.340 -11.574 11.258 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.651 -9.629 12.421 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.228 -10.132 11.530 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.514 -8.430 9.879 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.172 -8.124 10.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.694 -6.402 11.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.371 -7.247 12.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.764 -7.544 12.012 1.00 0.00 H new ATOM 181 N HIS A 70 -9.320 -12.536 9.326 1.00 0.00 N ATOM 182 CA HIS A 70 -10.232 -13.540 9.864 1.00 0.00 C ATOM 183 C HIS A 70 -10.831 -14.386 8.745 1.00 0.00 C ATOM 184 O HIS A 70 -10.767 -15.615 8.780 1.00 0.00 O ATOM 185 CB HIS A 70 -11.347 -12.869 10.666 1.00 0.00 C ATOM 186 CG HIS A 70 -10.853 -11.844 11.639 1.00 0.00 C ATOM 187 ND1 HIS A 70 -10.292 -10.646 11.250 1.00 0.00 N ATOM 188 CD2 HIS A 70 -10.839 -11.842 12.992 1.00 0.00 C ATOM 189 CE1 HIS A 70 -9.952 -9.952 12.322 1.00 0.00 C ATOM 190 NE2 HIS A 70 -10.274 -10.656 13.392 1.00 0.00 N ATOM 0 H HIS A 70 -9.669 -11.579 9.377 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.663 -14.195 10.525 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.045 -12.396 9.976 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.904 -13.633 11.208 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.204 -12.627 13.637 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.490 -8.976 12.323 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -10.127 -10.366 14.359 1.00 0.00 H new ATOM 198 N TRP A 71 -11.413 -13.720 7.754 1.00 0.00 N ATOM 199 CA TRP A 71 -12.025 -14.411 6.625 1.00 0.00 C ATOM 200 C TRP A 71 -11.040 -15.380 5.982 1.00 0.00 C ATOM 201 O TRP A 71 -11.404 -16.499 5.615 1.00 0.00 O ATOM 202 CB TRP A 71 -12.516 -13.400 5.587 1.00 0.00 C ATOM 203 CG TRP A 71 -12.764 -14.005 4.239 1.00 0.00 C ATOM 204 CD1 TRP A 71 -13.882 -14.678 3.836 1.00 0.00 C ATOM 205 CD2 TRP A 71 -11.874 -13.994 3.117 1.00 0.00 C ATOM 206 NE1 TRP A 71 -13.740 -15.087 2.531 1.00 0.00 N ATOM 207 CE2 TRP A 71 -12.517 -14.678 2.068 1.00 0.00 C ATOM 208 CE3 TRP A 71 -10.597 -13.471 2.897 1.00 0.00 C ATOM 209 CZ2 TRP A 71 -11.925 -14.853 0.820 1.00 0.00 C ATOM 210 CZ3 TRP A 71 -10.010 -13.645 1.658 1.00 0.00 C ATOM 211 CH2 TRP A 71 -10.674 -14.330 0.632 1.00 0.00 C ATOM 0 H TRP A 71 -11.474 -12.703 7.709 1.00 0.00 H new ATOM 0 HA TRP A 71 -12.876 -14.981 6.998 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -13.437 -12.940 5.946 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -11.779 -12.603 5.489 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -14.750 -14.862 4.452 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -14.432 -15.610 1.995 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.078 -12.940 3.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.435 -15.382 0.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -9.023 -13.246 1.478 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -10.189 -14.448 -0.326 1.00 0.00 H new ATOM 222 N LEU A 72 -9.792 -14.947 5.847 1.00 0.00 N ATOM 223 CA LEU A 72 -8.753 -15.778 5.248 1.00 0.00 C ATOM 224 C LEU A 72 -8.735 -17.166 5.880 1.00 0.00 C ATOM 225 O LEU A 72 -8.681 -18.177 5.180 1.00 0.00 O ATOM 226 CB LEU A 72 -7.385 -15.113 5.409 1.00 0.00 C ATOM 227 CG LEU A 72 -7.070 -13.980 4.432 1.00 0.00 C ATOM 228 CD1 LEU A 72 -5.781 -13.276 4.828 1.00 0.00 C ATOM 229 CD2 LEU A 72 -6.974 -14.513 3.010 1.00 0.00 C ATOM 0 H LEU A 72 -9.474 -14.025 6.144 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.975 -15.886 4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.311 -14.722 6.424 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.617 -15.879 5.306 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.883 -13.255 4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.573 -12.473 4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.887 -12.859 5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.958 -13.991 4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.749 -13.693 2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.181 -15.259 2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.923 -14.970 2.728 1.00 0.00 H new ATOM 241 N ARG A 73 -8.781 -17.207 7.208 1.00 0.00 N ATOM 242 CA ARG A 73 -8.771 -18.471 7.934 1.00 0.00 C ATOM 243 C ARG A 73 -10.189 -18.904 8.292 1.00 0.00 C ATOM 244 O ARG A 73 -10.391 -19.731 9.180 1.00 0.00 O ATOM 245 CB ARG A 73 -7.928 -18.346 9.205 1.00 0.00 C ATOM 246 CG ARG A 73 -6.434 -18.481 8.960 1.00 0.00 C ATOM 247 CD ARG A 73 -5.643 -18.337 10.251 1.00 0.00 C ATOM 248 NE ARG A 73 -5.696 -19.550 11.063 1.00 0.00 N ATOM 249 CZ ARG A 73 -5.447 -19.571 12.368 1.00 0.00 C ATOM 250 NH1 ARG A 73 -5.130 -18.452 13.004 1.00 0.00 N ATOM 251 NH2 ARG A 73 -5.515 -20.714 13.039 1.00 0.00 N ATOM 0 H ARG A 73 -8.826 -16.379 7.803 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.331 -19.230 7.287 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.126 -17.380 9.669 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.242 -19.111 9.916 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.224 -19.451 8.510 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.111 -17.722 8.247 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.605 -18.103 10.016 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.036 -17.498 10.826 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.937 -20.428 10.604 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.077 -17.572 12.492 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.939 -18.471 14.006 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.759 -21.577 12.553 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.324 -20.729 14.041 1.00 0.00 H new ATOM 265 N GLY A 74 -11.170 -18.338 7.594 1.00 0.00 N ATOM 266 CA GLY A 74 -12.557 -18.677 7.854 1.00 0.00 C ATOM 267 C GLY A 74 -12.961 -18.405 9.289 1.00 0.00 C ATOM 268 O GLY A 74 -13.502 -19.281 9.966 1.00 0.00 O ATOM 0 H GLY A 74 -11.028 -17.651 6.853 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.199 -18.105 7.184 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.719 -19.731 7.628 1.00 0.00 H new ATOM 272 N LEU A 75 -12.698 -17.190 9.757 1.00 0.00 N ATOM 273 CA LEU A 75 -13.036 -16.806 11.122 1.00 0.00 C ATOM 274 C LEU A 75 -13.821 -15.498 11.141 1.00 0.00 C ATOM 275 O LEU A 75 -13.768 -14.743 12.113 1.00 0.00 O ATOM 276 CB LEU A 75 -11.766 -16.664 11.963 1.00 0.00 C ATOM 277 CG LEU A 75 -10.833 -17.874 11.979 1.00 0.00 C ATOM 278 CD1 LEU A 75 -9.481 -17.498 12.565 1.00 0.00 C ATOM 279 CD2 LEU A 75 -11.457 -19.019 12.764 1.00 0.00 C ATOM 0 H LEU A 75 -12.251 -16.454 9.210 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.661 -17.590 11.549 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.206 -15.804 11.597 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.057 -16.441 12.990 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.681 -18.205 10.952 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.830 -18.372 12.568 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.029 -16.711 11.961 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.614 -17.141 13.586 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.778 -19.872 12.765 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -11.639 -18.700 13.790 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.401 -19.306 12.300 1.00 0.00 H new ATOM 291 N CYS A 76 -14.551 -15.236 10.062 1.00 0.00 N ATOM 292 CA CYS A 76 -15.348 -14.021 9.953 1.00 0.00 C ATOM 293 C CYS A 76 -16.775 -14.344 9.519 1.00 0.00 C ATOM 294 O CYS A 76 -17.015 -15.325 8.815 1.00 0.00 O ATOM 295 CB CYS A 76 -14.707 -13.052 8.958 1.00 0.00 C ATOM 296 SG CYS A 76 -15.057 -11.297 9.298 1.00 0.00 S ATOM 0 H CYS A 76 -14.607 -15.850 9.250 1.00 0.00 H new ATOM 0 HA CYS A 76 -15.383 -13.550 10.936 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -13.628 -13.204 8.963 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -15.058 -13.294 7.955 1.00 0.00 H new ATOM 301 N LYS A 77 -17.720 -13.511 9.944 1.00 0.00 N ATOM 302 CA LYS A 77 -19.123 -13.705 9.598 1.00 0.00 C ATOM 303 C LYS A 77 -19.752 -12.399 9.125 1.00 0.00 C ATOM 304 O LYS A 77 -20.966 -12.211 9.220 1.00 0.00 O ATOM 305 CB LYS A 77 -19.895 -14.248 10.803 1.00 0.00 C ATOM 306 CG LYS A 77 -19.747 -15.748 10.994 1.00 0.00 C ATOM 307 CD LYS A 77 -20.750 -16.519 10.152 1.00 0.00 C ATOM 308 CE LYS A 77 -22.150 -16.439 10.742 1.00 0.00 C ATOM 309 NZ LYS A 77 -22.956 -17.651 10.423 1.00 0.00 N ATOM 0 H LYS A 77 -17.539 -12.695 10.529 1.00 0.00 H new ATOM 0 HA LYS A 77 -19.175 -14.428 8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -19.551 -13.740 11.704 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -20.952 -14.008 10.685 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.735 -16.052 10.725 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.886 -15.997 12.046 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.758 -16.120 9.138 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.442 -17.562 10.082 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -22.082 -16.322 11.824 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -22.657 -15.554 10.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -23.903 -17.558 10.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -23.042 -17.749 9.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -22.486 -18.493 10.812 1.00 0.00 H new ATOM 323 N LYS A 78 -18.921 -11.498 8.613 1.00 0.00 N ATOM 324 CA LYS A 78 -19.395 -10.210 8.121 1.00 0.00 C ATOM 325 C LYS A 78 -19.593 -10.244 6.609 1.00 0.00 C ATOM 326 O LYS A 78 -20.529 -9.644 6.083 1.00 0.00 O ATOM 327 CB LYS A 78 -18.405 -9.103 8.492 1.00 0.00 C ATOM 328 CG LYS A 78 -18.108 -9.025 9.979 1.00 0.00 C ATOM 329 CD LYS A 78 -17.275 -7.801 10.319 1.00 0.00 C ATOM 330 CE LYS A 78 -17.260 -7.534 11.816 1.00 0.00 C ATOM 331 NZ LYS A 78 -18.575 -7.034 12.304 1.00 0.00 N ATOM 0 H LYS A 78 -17.914 -11.636 8.528 1.00 0.00 H new ATOM 0 HA LYS A 78 -20.356 -10.002 8.591 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -17.472 -9.266 7.952 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -18.803 -8.145 8.159 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -19.044 -8.995 10.537 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -17.579 -9.925 10.293 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.254 -7.944 9.964 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -17.675 -6.931 9.797 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -17.001 -8.451 12.346 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.485 -6.803 12.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -18.464 -6.643 13.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -18.923 -6.291 11.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -19.258 -7.818 12.328 1.00 0.00 H new ATOM 345 N GLY A 79 -18.706 -10.951 5.916 1.00 0.00 N ATOM 346 CA GLY A 79 -18.803 -11.051 4.472 1.00 0.00 C ATOM 347 C GLY A 79 -18.624 -9.712 3.785 1.00 0.00 C ATOM 348 O GLY A 79 -17.520 -9.168 3.748 1.00 0.00 O ATOM 0 H GLY A 79 -17.922 -11.456 6.329 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -18.047 -11.747 4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -19.774 -11.466 4.204 1.00 0.00 H new ATOM 352 N ASP A 80 -19.711 -9.180 3.237 1.00 0.00 N ATOM 353 CA ASP A 80 -19.670 -7.897 2.547 1.00 0.00 C ATOM 354 C ASP A 80 -19.802 -6.743 3.537 1.00 0.00 C ATOM 355 O ASP A 80 -19.771 -5.575 3.150 1.00 0.00 O ATOM 356 CB ASP A 80 -20.785 -7.819 1.503 1.00 0.00 C ATOM 357 CG ASP A 80 -20.538 -8.736 0.322 1.00 0.00 C ATOM 358 OD1 ASP A 80 -19.953 -9.820 0.526 1.00 0.00 O ATOM 359 OD2 ASP A 80 -20.927 -8.369 -0.807 1.00 0.00 O ATOM 0 H ASP A 80 -20.632 -9.618 3.258 1.00 0.00 H new ATOM 0 HA ASP A 80 -18.706 -7.813 2.045 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -21.735 -8.081 1.970 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -20.876 -6.792 1.149 1.00 0.00 H new ATOM 364 N GLN A 81 -19.949 -7.080 4.814 1.00 0.00 N ATOM 365 CA GLN A 81 -20.086 -6.072 5.858 1.00 0.00 C ATOM 366 C GLN A 81 -18.733 -5.743 6.480 1.00 0.00 C ATOM 367 O GLN A 81 -18.541 -4.664 7.041 1.00 0.00 O ATOM 368 CB GLN A 81 -21.054 -6.556 6.940 1.00 0.00 C ATOM 369 CG GLN A 81 -22.488 -6.697 6.454 1.00 0.00 C ATOM 370 CD GLN A 81 -22.607 -7.600 5.242 1.00 0.00 C ATOM 371 OE1 GLN A 81 -22.539 -7.140 4.102 1.00 0.00 O ATOM 372 NE2 GLN A 81 -22.785 -8.894 5.482 1.00 0.00 N ATOM 0 H GLN A 81 -19.976 -8.043 5.150 1.00 0.00 H new ATOM 0 HA GLN A 81 -20.485 -5.166 5.402 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -20.711 -7.519 7.318 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -21.030 -5.858 7.777 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -23.104 -7.095 7.261 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -22.883 -5.711 6.208 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -22.836 -9.232 6.443 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -22.871 -9.550 4.705 1.00 0.00 H new ATOM 381 N CYS A 82 -17.798 -6.682 6.378 1.00 0.00 N ATOM 382 CA CYS A 82 -16.462 -6.494 6.931 1.00 0.00 C ATOM 383 C CYS A 82 -15.851 -5.183 6.444 1.00 0.00 C ATOM 384 O CYS A 82 -16.239 -4.656 5.402 1.00 0.00 O ATOM 385 CB CYS A 82 -15.557 -7.666 6.545 1.00 0.00 C ATOM 386 SG CYS A 82 -14.064 -7.824 7.576 1.00 0.00 S ATOM 0 H CYS A 82 -17.941 -7.581 5.917 1.00 0.00 H new ATOM 0 HA CYS A 82 -16.548 -6.453 8.017 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -16.130 -8.591 6.611 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -15.256 -7.551 5.504 1.00 0.00 H new ATOM 391 N GLU A 83 -14.893 -4.663 7.206 1.00 0.00 N ATOM 392 CA GLU A 83 -14.230 -3.414 6.851 1.00 0.00 C ATOM 393 C GLU A 83 -13.021 -3.675 5.957 1.00 0.00 C ATOM 394 O GLU A 83 -12.359 -2.743 5.501 1.00 0.00 O ATOM 395 CB GLU A 83 -13.793 -2.667 8.113 1.00 0.00 C ATOM 396 CG GLU A 83 -13.344 -3.584 9.239 1.00 0.00 C ATOM 397 CD GLU A 83 -12.326 -2.931 10.153 1.00 0.00 C ATOM 398 OE1 GLU A 83 -11.621 -2.009 9.692 1.00 0.00 O ATOM 399 OE2 GLU A 83 -12.236 -3.340 11.330 1.00 0.00 O ATOM 0 H GLU A 83 -14.560 -5.087 8.072 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.941 -2.798 6.300 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.977 -1.990 7.860 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.621 -2.051 8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.212 -3.885 9.825 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.916 -4.492 8.814 1.00 0.00 H new ATOM 406 N PHE A 84 -12.739 -4.950 5.711 1.00 0.00 N ATOM 407 CA PHE A 84 -11.609 -5.335 4.873 1.00 0.00 C ATOM 408 C PHE A 84 -12.077 -6.155 3.673 1.00 0.00 C ATOM 409 O PHE A 84 -13.220 -6.610 3.625 1.00 0.00 O ATOM 410 CB PHE A 84 -10.592 -6.137 5.688 1.00 0.00 C ATOM 411 CG PHE A 84 -9.954 -5.347 6.794 1.00 0.00 C ATOM 412 CD1 PHE A 84 -10.543 -5.284 8.047 1.00 0.00 C ATOM 413 CD2 PHE A 84 -8.766 -4.667 6.581 1.00 0.00 C ATOM 414 CE1 PHE A 84 -9.958 -4.558 9.067 1.00 0.00 C ATOM 415 CE2 PHE A 84 -8.176 -3.940 7.598 1.00 0.00 C ATOM 416 CZ PHE A 84 -8.773 -3.884 8.842 1.00 0.00 C ATOM 0 H PHE A 84 -13.277 -5.734 6.080 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.134 -4.425 4.506 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.087 -7.010 6.114 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -9.814 -6.507 5.020 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.470 -5.808 8.228 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.296 -4.705 5.610 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.427 -4.517 10.039 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.249 -3.416 7.420 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.315 -3.315 9.637 1.00 0.00 H new ATOM 426 N LEU A 85 -11.184 -6.338 2.706 1.00 0.00 N ATOM 427 CA LEU A 85 -11.504 -7.102 1.505 1.00 0.00 C ATOM 428 C LEU A 85 -11.528 -8.598 1.802 1.00 0.00 C ATOM 429 O LEU A 85 -10.662 -9.116 2.508 1.00 0.00 O ATOM 430 CB LEU A 85 -10.486 -6.806 0.403 1.00 0.00 C ATOM 431 CG LEU A 85 -10.678 -5.490 -0.352 1.00 0.00 C ATOM 432 CD1 LEU A 85 -9.355 -5.004 -0.923 1.00 0.00 C ATOM 433 CD2 LEU A 85 -11.709 -5.656 -1.459 1.00 0.00 C ATOM 0 H LEU A 85 -10.234 -5.968 2.730 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.495 -6.802 1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.490 -6.805 0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.513 -7.623 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.044 -4.741 0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.511 -4.067 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.645 -4.845 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.959 -5.751 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.833 -4.710 -1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.371 -6.420 -2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.663 -5.958 -1.026 1.00 0.00 H new ATOM 445 N HIS A 86 -12.524 -9.289 1.257 1.00 0.00 N ATOM 446 CA HIS A 86 -12.660 -10.727 1.461 1.00 0.00 C ATOM 447 C HIS A 86 -12.272 -11.493 0.200 1.00 0.00 C ATOM 448 O HIS A 86 -12.757 -12.599 -0.039 1.00 0.00 O ATOM 449 CB HIS A 86 -14.094 -11.073 1.862 1.00 0.00 C ATOM 450 CG HIS A 86 -14.360 -10.917 3.327 1.00 0.00 C ATOM 451 ND1 HIS A 86 -15.439 -11.497 3.962 1.00 0.00 N ATOM 452 CD2 HIS A 86 -13.680 -10.244 4.284 1.00 0.00 C ATOM 453 CE1 HIS A 86 -15.411 -11.185 5.245 1.00 0.00 C ATOM 454 NE2 HIS A 86 -14.353 -10.426 5.467 1.00 0.00 N ATOM 0 H HIS A 86 -13.249 -8.876 0.670 1.00 0.00 H new ATOM 0 HA HIS A 86 -11.986 -11.021 2.265 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -14.782 -10.436 1.306 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -14.306 -12.102 1.570 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -16.147 -12.076 3.511 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.776 -9.670 4.143 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -16.131 -11.497 5.987 1.00 0.00 H new ATOM 462 N GLU A 87 -11.397 -10.897 -0.604 1.00 0.00 N ATOM 463 CA GLU A 87 -10.946 -11.524 -1.841 1.00 0.00 C ATOM 464 C GLU A 87 -9.423 -11.505 -1.938 1.00 0.00 C ATOM 465 O GLU A 87 -8.795 -10.454 -1.804 1.00 0.00 O ATOM 466 CB GLU A 87 -11.554 -10.812 -3.051 1.00 0.00 C ATOM 467 CG GLU A 87 -11.105 -9.367 -3.196 1.00 0.00 C ATOM 468 CD GLU A 87 -11.969 -8.582 -4.164 1.00 0.00 C ATOM 469 OE1 GLU A 87 -12.469 -9.186 -5.135 1.00 0.00 O ATOM 470 OE2 GLU A 87 -12.144 -7.364 -3.950 1.00 0.00 O ATOM 0 H GLU A 87 -10.987 -9.981 -0.421 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.279 -12.562 -1.834 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.288 -11.359 -3.955 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.641 -10.840 -2.970 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.129 -8.883 -2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.070 -9.345 -3.538 1.00 0.00 H new ATOM 477 N TYR A 88 -8.836 -12.673 -2.170 1.00 0.00 N ATOM 478 CA TYR A 88 -7.387 -12.792 -2.282 1.00 0.00 C ATOM 479 C TYR A 88 -6.877 -12.082 -3.533 1.00 0.00 C ATOM 480 O TYR A 88 -7.000 -12.595 -4.645 1.00 0.00 O ATOM 481 CB TYR A 88 -6.976 -14.265 -2.315 1.00 0.00 C ATOM 482 CG TYR A 88 -5.653 -14.539 -1.638 1.00 0.00 C ATOM 483 CD1 TYR A 88 -4.457 -14.439 -2.339 1.00 0.00 C ATOM 484 CD2 TYR A 88 -5.597 -14.899 -0.297 1.00 0.00 C ATOM 485 CE1 TYR A 88 -3.245 -14.690 -1.725 1.00 0.00 C ATOM 486 CE2 TYR A 88 -4.390 -15.149 0.326 1.00 0.00 C ATOM 487 CZ TYR A 88 -3.217 -15.044 -0.392 1.00 0.00 C ATOM 488 OH TYR A 88 -2.012 -15.294 0.224 1.00 0.00 O ATOM 0 H TYR A 88 -9.341 -13.552 -2.284 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.941 -12.317 -1.409 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.751 -14.861 -1.833 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -6.919 -14.595 -3.352 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.475 -14.160 -3.382 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.513 -14.985 0.268 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.325 -14.610 -2.285 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.365 -15.425 1.370 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.167 -15.529 1.163 1.00 0.00 H new ATOM 498 N ASP A 89 -6.304 -10.899 -3.341 1.00 0.00 N ATOM 499 CA ASP A 89 -5.773 -10.118 -4.453 1.00 0.00 C ATOM 500 C ASP A 89 -4.321 -9.729 -4.198 1.00 0.00 C ATOM 501 O ASP A 89 -4.034 -8.886 -3.349 1.00 0.00 O ATOM 502 CB ASP A 89 -6.620 -8.863 -4.672 1.00 0.00 C ATOM 503 CG ASP A 89 -6.570 -8.374 -6.106 1.00 0.00 C ATOM 504 OD1 ASP A 89 -5.501 -8.504 -6.740 1.00 0.00 O ATOM 505 OD2 ASP A 89 -7.598 -7.863 -6.594 1.00 0.00 O ATOM 0 H ASP A 89 -6.195 -10.460 -2.427 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.813 -10.735 -5.351 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.654 -9.074 -4.399 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.270 -8.072 -4.009 1.00 0.00 H new ATOM 510 N MET A 90 -3.408 -10.350 -4.938 1.00 0.00 N ATOM 511 CA MET A 90 -1.985 -10.068 -4.792 1.00 0.00 C ATOM 512 C MET A 90 -1.737 -8.567 -4.685 1.00 0.00 C ATOM 513 O MET A 90 -0.712 -8.132 -4.157 1.00 0.00 O ATOM 514 CB MET A 90 -1.206 -10.642 -5.977 1.00 0.00 C ATOM 515 CG MET A 90 -1.317 -12.153 -6.103 1.00 0.00 C ATOM 516 SD MET A 90 -0.930 -13.009 -4.564 1.00 0.00 S ATOM 517 CE MET A 90 0.707 -12.367 -4.222 1.00 0.00 C ATOM 0 H MET A 90 -3.629 -11.052 -5.645 1.00 0.00 H new ATOM 0 HA MET A 90 -1.638 -10.542 -3.874 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.568 -10.181 -6.896 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.155 -10.370 -5.876 1.00 0.00 H new ATOM 0 HG2 MET A 90 -2.328 -12.414 -6.415 1.00 0.00 H new ATOM 0 HG3 MET A 90 -0.642 -12.499 -6.886 1.00 0.00 H new ATOM 0 HE1 MET A 90 1.297 -13.128 -3.710 1.00 0.00 H new ATOM 0 HE2 MET A 90 1.195 -12.098 -5.159 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.626 -11.484 -3.588 1.00 0.00 H new ATOM 527 N THR A 91 -2.681 -7.777 -5.188 1.00 0.00 N ATOM 528 CA THR A 91 -2.563 -6.325 -5.149 1.00 0.00 C ATOM 529 C THR A 91 -3.247 -5.751 -3.914 1.00 0.00 C ATOM 530 O THR A 91 -2.661 -4.952 -3.182 1.00 0.00 O ATOM 531 CB THR A 91 -3.174 -5.678 -6.407 1.00 0.00 C ATOM 532 OG1 THR A 91 -4.598 -5.829 -6.393 1.00 0.00 O ATOM 533 CG2 THR A 91 -2.605 -6.308 -7.670 1.00 0.00 C ATOM 0 H THR A 91 -3.536 -8.119 -5.627 1.00 0.00 H new ATOM 0 HA THR A 91 -1.498 -6.095 -5.111 1.00 0.00 H new ATOM 0 HB THR A 91 -2.921 -4.618 -6.403 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.830 -6.762 -6.583 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.051 -5.835 -8.545 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.524 -6.166 -7.692 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.831 -7.374 -7.679 1.00 0.00 H new ATOM 541 N LYS A 92 -4.489 -6.162 -3.686 1.00 0.00 N ATOM 542 CA LYS A 92 -5.253 -5.691 -2.537 1.00 0.00 C ATOM 543 C LYS A 92 -4.898 -6.485 -1.284 1.00 0.00 C ATOM 544 O LYS A 92 -5.697 -6.584 -0.353 1.00 0.00 O ATOM 545 CB LYS A 92 -6.754 -5.802 -2.816 1.00 0.00 C ATOM 546 CG LYS A 92 -7.150 -5.342 -4.208 1.00 0.00 C ATOM 547 CD LYS A 92 -7.614 -3.896 -4.206 1.00 0.00 C ATOM 548 CE LYS A 92 -6.443 -2.934 -4.080 1.00 0.00 C ATOM 549 NZ LYS A 92 -6.875 -1.514 -4.201 1.00 0.00 N ATOM 0 H LYS A 92 -4.989 -6.821 -4.282 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.997 -4.645 -2.367 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -7.064 -6.839 -2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -7.297 -5.210 -2.079 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.302 -5.452 -4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.947 -5.980 -4.590 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.160 -3.687 -5.126 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.307 -3.737 -3.380 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.952 -3.083 -3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.706 -3.156 -4.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.048 -0.890 -4.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.320 -1.365 -5.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.559 -1.294 -3.449 1.00 0.00 H new ATOM 563 N MET A 93 -3.694 -7.047 -1.267 1.00 0.00 N ATOM 564 CA MET A 93 -3.232 -7.830 -0.126 1.00 0.00 C ATOM 565 C MET A 93 -1.966 -7.225 0.472 1.00 0.00 C ATOM 566 O MET A 93 -1.189 -6.553 -0.208 1.00 0.00 O ATOM 567 CB MET A 93 -2.970 -9.277 -0.546 1.00 0.00 C ATOM 568 CG MET A 93 -1.586 -9.499 -1.134 1.00 0.00 C ATOM 569 SD MET A 93 -1.222 -11.242 -1.418 1.00 0.00 S ATOM 570 CE MET A 93 -1.216 -11.864 0.261 1.00 0.00 C ATOM 0 H MET A 93 -3.021 -6.975 -2.030 1.00 0.00 H new ATOM 0 HA MET A 93 -4.014 -7.815 0.633 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.096 -9.926 0.320 1.00 0.00 H new ATOM 0 HB3 MET A 93 -3.719 -9.575 -1.279 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.505 -8.957 -2.076 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.838 -9.081 -0.460 1.00 0.00 H new ATOM 0 HE1 MET A 93 -0.628 -12.781 0.307 1.00 0.00 H new ATOM 0 HE2 MET A 93 -0.778 -11.118 0.924 1.00 0.00 H new ATOM 0 HE3 MET A 93 -2.239 -12.073 0.575 1.00 0.00 H new ATOM 580 N PRO A 94 -1.752 -7.466 1.774 1.00 0.00 N ATOM 581 CA PRO A 94 -0.581 -6.953 2.492 1.00 0.00 C ATOM 582 C PRO A 94 0.711 -7.633 2.052 1.00 0.00 C ATOM 583 O PRO A 94 0.768 -8.856 1.926 1.00 0.00 O ATOM 584 CB PRO A 94 -0.889 -7.284 3.954 1.00 0.00 C ATOM 585 CG PRO A 94 -1.817 -8.447 3.892 1.00 0.00 C ATOM 586 CD PRO A 94 -2.636 -8.258 2.645 1.00 0.00 C ATOM 0 HA PRO A 94 -0.421 -5.891 2.306 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.019 -7.531 4.504 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.349 -6.437 4.463 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -1.264 -9.386 3.857 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.454 -8.485 4.775 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.900 -9.212 2.189 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.570 -7.735 2.853 1.00 0.00 H new ATOM 594 N GLU A 95 1.747 -6.832 1.822 1.00 0.00 N ATOM 595 CA GLU A 95 3.039 -7.359 1.397 1.00 0.00 C ATOM 596 C GLU A 95 3.626 -8.284 2.459 1.00 0.00 C ATOM 597 O GLU A 95 3.123 -8.358 3.580 1.00 0.00 O ATOM 598 CB GLU A 95 4.012 -6.213 1.109 1.00 0.00 C ATOM 599 CG GLU A 95 3.463 -5.176 0.144 1.00 0.00 C ATOM 600 CD GLU A 95 2.672 -4.088 0.845 1.00 0.00 C ATOM 601 OE1 GLU A 95 1.463 -4.294 1.083 1.00 0.00 O ATOM 602 OE2 GLU A 95 3.261 -3.031 1.154 1.00 0.00 O ATOM 0 H GLU A 95 1.717 -5.817 1.923 1.00 0.00 H new ATOM 0 HA GLU A 95 2.885 -7.934 0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.270 -5.723 2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.935 -6.625 0.700 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.288 -4.723 -0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.825 -5.669 -0.589 1.00 0.00 H new ATOM 609 N CYS A 96 4.692 -8.989 2.096 1.00 0.00 N ATOM 610 CA CYS A 96 5.348 -9.911 3.015 1.00 0.00 C ATOM 611 C CYS A 96 5.808 -9.187 4.277 1.00 0.00 C ATOM 612 O CYS A 96 6.706 -8.346 4.231 1.00 0.00 O ATOM 613 CB CYS A 96 6.544 -10.579 2.334 1.00 0.00 C ATOM 614 SG CYS A 96 7.165 -12.056 3.201 1.00 0.00 S ATOM 0 H CYS A 96 5.120 -8.939 1.172 1.00 0.00 H new ATOM 0 HA CYS A 96 4.625 -10.676 3.299 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.261 -10.859 1.319 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.353 -9.853 2.250 1.00 0.00 H new ATOM 619 N TYR A 97 5.186 -9.519 5.403 1.00 0.00 N ATOM 620 CA TYR A 97 5.529 -8.899 6.677 1.00 0.00 C ATOM 621 C TYR A 97 7.036 -8.937 6.913 1.00 0.00 C ATOM 622 O TYR A 97 7.623 -7.975 7.410 1.00 0.00 O ATOM 623 CB TYR A 97 4.805 -9.607 7.824 1.00 0.00 C ATOM 624 CG TYR A 97 5.568 -9.583 9.129 1.00 0.00 C ATOM 625 CD1 TYR A 97 6.190 -8.422 9.571 1.00 0.00 C ATOM 626 CD2 TYR A 97 5.669 -10.722 9.919 1.00 0.00 C ATOM 627 CE1 TYR A 97 6.890 -8.396 10.763 1.00 0.00 C ATOM 628 CE2 TYR A 97 6.365 -10.705 11.112 1.00 0.00 C ATOM 629 CZ TYR A 97 6.973 -9.540 11.529 1.00 0.00 C ATOM 630 OH TYR A 97 7.669 -9.519 12.717 1.00 0.00 O ATOM 0 H TYR A 97 4.442 -10.214 5.459 1.00 0.00 H new ATOM 0 HA TYR A 97 5.210 -7.857 6.642 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.832 -9.138 7.973 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.619 -10.643 7.541 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.126 -7.525 8.973 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.195 -11.636 9.594 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.369 -7.486 11.092 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.432 -11.599 11.714 1.00 0.00 H new ATOM 0 HH TYR A 97 7.630 -10.405 13.135 1.00 0.00 H new ATOM 640 N PHE A 98 7.657 -10.055 6.552 1.00 0.00 N ATOM 641 CA PHE A 98 9.096 -10.219 6.724 1.00 0.00 C ATOM 642 C PHE A 98 9.864 -9.219 5.865 1.00 0.00 C ATOM 643 O PHE A 98 10.622 -8.396 6.379 1.00 0.00 O ATOM 644 CB PHE A 98 9.514 -11.646 6.363 1.00 0.00 C ATOM 645 CG PHE A 98 8.828 -12.698 7.187 1.00 0.00 C ATOM 646 CD1 PHE A 98 9.208 -12.927 8.499 1.00 0.00 C ATOM 647 CD2 PHE A 98 7.804 -13.460 6.648 1.00 0.00 C ATOM 648 CE1 PHE A 98 8.579 -13.894 9.260 1.00 0.00 C ATOM 649 CE2 PHE A 98 7.171 -14.428 7.404 1.00 0.00 C ATOM 650 CZ PHE A 98 7.559 -14.646 8.711 1.00 0.00 C ATOM 0 H PHE A 98 7.187 -10.860 6.139 1.00 0.00 H new ATOM 0 HA PHE A 98 9.336 -10.031 7.771 1.00 0.00 H new ATOM 0 HB2 PHE A 98 9.299 -11.824 5.309 1.00 0.00 H new ATOM 0 HB3 PHE A 98 10.592 -11.743 6.489 1.00 0.00 H new ATOM 0 HD1 PHE A 98 10.006 -12.343 8.933 1.00 0.00 H new ATOM 0 HD2 PHE A 98 7.497 -13.296 5.626 1.00 0.00 H new ATOM 0 HE1 PHE A 98 8.885 -14.061 10.282 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.373 -15.014 6.973 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.066 -15.403 9.303 1.00 0.00 H new ATOM 660 N TYR A 99 9.664 -9.298 4.555 1.00 0.00 N ATOM 661 CA TYR A 99 10.340 -8.403 3.623 1.00 0.00 C ATOM 662 C TYR A 99 9.974 -6.948 3.903 1.00 0.00 C ATOM 663 O TYR A 99 10.706 -6.030 3.533 1.00 0.00 O ATOM 664 CB TYR A 99 9.977 -8.764 2.182 1.00 0.00 C ATOM 665 CG TYR A 99 11.095 -8.515 1.195 1.00 0.00 C ATOM 666 CD1 TYR A 99 12.154 -9.407 1.077 1.00 0.00 C ATOM 667 CD2 TYR A 99 11.094 -7.389 0.382 1.00 0.00 C ATOM 668 CE1 TYR A 99 13.179 -9.184 0.177 1.00 0.00 C ATOM 669 CE2 TYR A 99 12.113 -7.158 -0.521 1.00 0.00 C ATOM 670 CZ TYR A 99 13.153 -8.059 -0.620 1.00 0.00 C ATOM 671 OH TYR A 99 14.172 -7.832 -1.517 1.00 0.00 O ATOM 0 H TYR A 99 9.039 -9.973 4.114 1.00 0.00 H new ATOM 0 HA TYR A 99 11.415 -8.521 3.760 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.694 -9.816 2.140 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.103 -8.187 1.881 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.176 -10.290 1.699 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.282 -6.681 0.457 1.00 0.00 H new ATOM 0 HE1 TYR A 99 13.995 -9.887 0.098 1.00 0.00 H new ATOM 0 HE2 TYR A 99 12.096 -6.277 -1.146 1.00 0.00 H new ATOM 0 HH TYR A 99 14.002 -6.997 -2.001 1.00 0.00 H new ATOM 681 N SER A 100 8.835 -6.747 4.558 1.00 0.00 N ATOM 682 CA SER A 100 8.368 -5.405 4.886 1.00 0.00 C ATOM 683 C SER A 100 8.863 -4.979 6.264 1.00 0.00 C ATOM 684 O SER A 100 8.826 -3.799 6.613 1.00 0.00 O ATOM 685 CB SER A 100 6.840 -5.349 4.840 1.00 0.00 C ATOM 686 OG SER A 100 6.273 -5.963 5.984 1.00 0.00 O ATOM 0 H SER A 100 8.218 -7.496 4.872 1.00 0.00 H new ATOM 0 HA SER A 100 8.772 -4.715 4.145 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.513 -4.311 4.780 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.482 -5.848 3.940 1.00 0.00 H new ATOM 0 HG SER A 100 6.935 -6.553 6.401 1.00 0.00 H new ATOM 692 N LYS A 101 9.328 -5.949 7.045 1.00 0.00 N ATOM 693 CA LYS A 101 9.832 -5.677 8.385 1.00 0.00 C ATOM 694 C LYS A 101 11.358 -5.683 8.404 1.00 0.00 C ATOM 695 O LYS A 101 11.990 -4.657 8.655 1.00 0.00 O ATOM 696 CB LYS A 101 9.295 -6.713 9.375 1.00 0.00 C ATOM 697 CG LYS A 101 10.160 -6.879 10.612 1.00 0.00 C ATOM 698 CD LYS A 101 10.528 -5.535 11.219 1.00 0.00 C ATOM 699 CE LYS A 101 9.505 -5.092 12.254 1.00 0.00 C ATOM 700 NZ LYS A 101 9.743 -3.693 12.705 1.00 0.00 N ATOM 0 H LYS A 101 9.366 -6.931 6.772 1.00 0.00 H new ATOM 0 HA LYS A 101 9.486 -4.687 8.682 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.290 -6.423 9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.210 -7.675 8.870 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.629 -7.480 11.350 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.068 -7.423 10.352 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.512 -5.602 11.684 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.598 -4.785 10.431 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.503 -5.172 11.832 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.544 -5.762 13.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.025 -3.429 13.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 10.689 -3.622 13.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.681 -3.050 11.890 1.00 0.00 H new ATOM 714 N PHE A 102 11.943 -6.846 8.137 1.00 0.00 N ATOM 715 CA PHE A 102 13.395 -6.986 8.123 1.00 0.00 C ATOM 716 C PHE A 102 13.944 -6.817 6.710 1.00 0.00 C ATOM 717 O PHE A 102 15.087 -6.403 6.521 1.00 0.00 O ATOM 718 CB PHE A 102 13.802 -8.351 8.681 1.00 0.00 C ATOM 719 CG PHE A 102 13.034 -8.751 9.909 1.00 0.00 C ATOM 720 CD1 PHE A 102 13.464 -8.364 11.168 1.00 0.00 C ATOM 721 CD2 PHE A 102 11.883 -9.514 9.803 1.00 0.00 C ATOM 722 CE1 PHE A 102 12.759 -8.729 12.299 1.00 0.00 C ATOM 723 CE2 PHE A 102 11.174 -9.882 10.931 1.00 0.00 C ATOM 724 CZ PHE A 102 11.613 -9.490 12.180 1.00 0.00 C ATOM 0 H PHE A 102 11.434 -7.705 7.927 1.00 0.00 H new ATOM 0 HA PHE A 102 13.817 -6.203 8.753 1.00 0.00 H new ATOM 0 HB2 PHE A 102 13.658 -9.107 7.910 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.866 -8.335 8.917 1.00 0.00 H new ATOM 0 HD1 PHE A 102 14.361 -7.770 11.267 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.536 -9.825 8.829 1.00 0.00 H new ATOM 0 HE1 PHE A 102 13.104 -8.420 13.275 1.00 0.00 H new ATOM 0 HE2 PHE A 102 10.277 -10.476 10.835 1.00 0.00 H new ATOM 0 HZ PHE A 102 11.061 -9.778 13.062 1.00 0.00 H new ATOM 734 N GLY A 103 13.119 -7.142 5.718 1.00 0.00 N ATOM 735 CA GLY A 103 13.539 -7.020 4.334 1.00 0.00 C ATOM 736 C GLY A 103 14.399 -8.185 3.885 1.00 0.00 C ATOM 737 O GLY A 103 15.275 -8.026 3.036 1.00 0.00 O ATOM 0 H GLY A 103 12.168 -7.487 5.849 1.00 0.00 H new ATOM 0 HA2 GLY A 103 12.659 -6.954 3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.095 -6.091 4.207 1.00 0.00 H new ATOM 741 N GLU A 104 14.148 -9.359 4.457 1.00 0.00 N ATOM 742 CA GLU A 104 14.909 -10.554 4.111 1.00 0.00 C ATOM 743 C GLU A 104 14.012 -11.789 4.113 1.00 0.00 C ATOM 744 O GLU A 104 13.533 -12.221 5.161 1.00 0.00 O ATOM 745 CB GLU A 104 16.067 -10.750 5.092 1.00 0.00 C ATOM 746 CG GLU A 104 16.818 -9.468 5.411 1.00 0.00 C ATOM 747 CD GLU A 104 18.256 -9.721 5.821 1.00 0.00 C ATOM 748 OE1 GLU A 104 18.833 -10.732 5.368 1.00 0.00 O ATOM 749 OE2 GLU A 104 18.804 -8.908 6.594 1.00 0.00 O ATOM 0 H GLU A 104 13.425 -9.508 5.161 1.00 0.00 H new ATOM 0 HA GLU A 104 15.312 -10.420 3.107 1.00 0.00 H new ATOM 0 HB2 GLU A 104 15.680 -11.174 6.018 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.765 -11.476 4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.802 -8.815 4.538 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.303 -8.940 6.213 1.00 0.00 H new ATOM 756 N CYS A 105 13.789 -12.352 2.930 1.00 0.00 N ATOM 757 CA CYS A 105 12.950 -13.536 2.792 1.00 0.00 C ATOM 758 C CYS A 105 13.549 -14.513 1.785 1.00 0.00 C ATOM 759 O CYS A 105 13.807 -14.156 0.636 1.00 0.00 O ATOM 760 CB CYS A 105 11.538 -13.138 2.356 1.00 0.00 C ATOM 761 SG CYS A 105 10.254 -14.353 2.795 1.00 0.00 S ATOM 0 H CYS A 105 14.178 -12.007 2.053 1.00 0.00 H new ATOM 0 HA CYS A 105 12.898 -14.029 3.763 1.00 0.00 H new ATOM 0 HB2 CYS A 105 11.286 -12.179 2.809 1.00 0.00 H new ATOM 0 HB3 CYS A 105 11.531 -12.992 1.276 1.00 0.00 H new ATOM 766 N SER A 106 13.767 -15.748 2.226 1.00 0.00 N ATOM 767 CA SER A 106 14.339 -16.777 1.365 1.00 0.00 C ATOM 768 C SER A 106 13.251 -17.699 0.824 1.00 0.00 C ATOM 769 O SER A 106 13.403 -18.920 0.820 1.00 0.00 O ATOM 770 CB SER A 106 15.381 -17.593 2.133 1.00 0.00 C ATOM 771 OG SER A 106 14.773 -18.363 3.155 1.00 0.00 O ATOM 0 H SER A 106 13.556 -16.060 3.174 1.00 0.00 H new ATOM 0 HA SER A 106 14.824 -16.283 0.523 1.00 0.00 H new ATOM 0 HB2 SER A 106 15.912 -18.251 1.445 1.00 0.00 H new ATOM 0 HB3 SER A 106 16.122 -16.924 2.570 1.00 0.00 H new ATOM 0 HG SER A 106 14.145 -19.000 2.755 1.00 0.00 H new ATOM 777 N ASN A 107 12.153 -17.106 0.369 1.00 0.00 N ATOM 778 CA ASN A 107 11.038 -17.873 -0.174 1.00 0.00 C ATOM 779 C ASN A 107 10.904 -17.649 -1.677 1.00 0.00 C ATOM 780 O ASN A 107 10.721 -16.521 -2.134 1.00 0.00 O ATOM 781 CB ASN A 107 9.735 -17.486 0.529 1.00 0.00 C ATOM 782 CG ASN A 107 9.557 -18.205 1.853 1.00 0.00 C ATOM 783 OD1 ASN A 107 10.007 -17.729 2.895 1.00 0.00 O ATOM 784 ND2 ASN A 107 8.897 -19.357 1.816 1.00 0.00 N ATOM 0 H ASN A 107 12.011 -16.096 0.365 1.00 0.00 H new ATOM 0 HA ASN A 107 11.237 -18.930 0.001 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.723 -16.409 0.699 1.00 0.00 H new ATOM 0 HB3 ASN A 107 8.892 -17.716 -0.122 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.745 -19.886 2.675 1.00 0.00 H new ATOM 0 HD22 ASN A 107 8.542 -19.713 0.929 1.00 0.00 H new ATOM 791 N LYS A 108 10.994 -18.732 -2.441 1.00 0.00 N ATOM 792 CA LYS A 108 10.881 -18.657 -3.893 1.00 0.00 C ATOM 793 C LYS A 108 9.423 -18.519 -4.319 1.00 0.00 C ATOM 794 O LYS A 108 9.101 -17.746 -5.220 1.00 0.00 O ATOM 795 CB LYS A 108 11.497 -19.900 -4.539 1.00 0.00 C ATOM 796 CG LYS A 108 10.856 -21.201 -4.088 1.00 0.00 C ATOM 797 CD LYS A 108 11.842 -22.355 -4.135 1.00 0.00 C ATOM 798 CE LYS A 108 11.823 -23.050 -5.488 1.00 0.00 C ATOM 799 NZ LYS A 108 12.661 -22.336 -6.490 1.00 0.00 N ATOM 0 H LYS A 108 11.145 -19.673 -2.078 1.00 0.00 H new ATOM 0 HA LYS A 108 11.425 -17.774 -4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.409 -19.818 -5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.562 -19.930 -4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.476 -21.087 -3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.001 -21.426 -4.725 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.846 -21.985 -3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.600 -23.074 -3.352 1.00 0.00 H new ATOM 0 HE2 LYS A 108 12.183 -24.073 -5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.797 -23.111 -5.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.816 -22.951 -7.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.176 -21.467 -6.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.577 -22.090 -6.064 1.00 0.00 H new ATOM 813 N GLU A 109 8.546 -19.273 -3.663 1.00 0.00 N ATOM 814 CA GLU A 109 7.122 -19.234 -3.975 1.00 0.00 C ATOM 815 C GLU A 109 6.338 -18.560 -2.852 1.00 0.00 C ATOM 816 O GLU A 109 5.300 -19.061 -2.417 1.00 0.00 O ATOM 817 CB GLU A 109 6.589 -20.649 -4.206 1.00 0.00 C ATOM 818 CG GLU A 109 6.992 -21.240 -5.547 1.00 0.00 C ATOM 819 CD GLU A 109 6.015 -22.290 -6.039 1.00 0.00 C ATOM 820 OE1 GLU A 109 5.467 -23.032 -5.198 1.00 0.00 O ATOM 821 OE2 GLU A 109 5.799 -22.369 -7.267 1.00 0.00 O ATOM 0 H GLU A 109 8.796 -19.917 -2.913 1.00 0.00 H new ATOM 0 HA GLU A 109 6.991 -18.651 -4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.950 -21.299 -3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.501 -20.634 -4.137 1.00 0.00 H new ATOM 0 HG2 GLU A 109 7.063 -20.441 -6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 109 7.984 -21.684 -5.461 1.00 0.00 H new ATOM 828 N CYS A 110 6.842 -17.422 -2.387 1.00 0.00 N ATOM 829 CA CYS A 110 6.191 -16.679 -1.315 1.00 0.00 C ATOM 830 C CYS A 110 4.907 -16.020 -1.811 1.00 0.00 C ATOM 831 O CYS A 110 4.915 -15.202 -2.730 1.00 0.00 O ATOM 832 CB CYS A 110 7.138 -15.616 -0.754 1.00 0.00 C ATOM 833 SG CYS A 110 6.782 -15.135 0.966 1.00 0.00 S ATOM 0 H CYS A 110 7.700 -16.994 -2.736 1.00 0.00 H new ATOM 0 HA CYS A 110 5.935 -17.383 -0.523 1.00 0.00 H new ATOM 0 HB2 CYS A 110 8.160 -15.989 -0.811 1.00 0.00 H new ATOM 0 HB3 CYS A 110 7.087 -14.729 -1.386 1.00 0.00 H new ATOM 838 N PRO A 111 3.776 -16.385 -1.188 1.00 0.00 N ATOM 839 CA PRO A 111 2.463 -15.842 -1.549 1.00 0.00 C ATOM 840 C PRO A 111 2.318 -14.373 -1.163 1.00 0.00 C ATOM 841 O PRO A 111 1.251 -13.781 -1.326 1.00 0.00 O ATOM 842 CB PRO A 111 1.489 -16.705 -0.743 1.00 0.00 C ATOM 843 CG PRO A 111 2.285 -17.191 0.418 1.00 0.00 C ATOM 844 CD PRO A 111 3.692 -17.356 -0.084 1.00 0.00 C ATOM 0 HA PRO A 111 2.291 -15.872 -2.625 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.625 -16.127 -0.416 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.110 -17.536 -1.339 1.00 0.00 H new ATOM 0 HG2 PRO A 111 2.246 -16.480 1.243 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.891 -18.136 0.793 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.424 -17.143 0.695 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.879 -18.373 -0.428 1.00 0.00 H new ATOM 852 N PHE A 112 3.397 -13.791 -0.651 1.00 0.00 N ATOM 853 CA PHE A 112 3.389 -12.392 -0.242 1.00 0.00 C ATOM 854 C PHE A 112 4.210 -11.539 -1.205 1.00 0.00 C ATOM 855 O PHE A 112 5.100 -12.040 -1.893 1.00 0.00 O ATOM 856 CB PHE A 112 3.941 -12.251 1.179 1.00 0.00 C ATOM 857 CG PHE A 112 2.928 -12.546 2.247 1.00 0.00 C ATOM 858 CD1 PHE A 112 1.792 -11.763 2.379 1.00 0.00 C ATOM 859 CD2 PHE A 112 3.111 -13.607 3.120 1.00 0.00 C ATOM 860 CE1 PHE A 112 0.858 -12.033 3.362 1.00 0.00 C ATOM 861 CE2 PHE A 112 2.180 -13.881 4.104 1.00 0.00 C ATOM 862 CZ PHE A 112 1.053 -13.093 4.225 1.00 0.00 C ATOM 0 H PHE A 112 4.288 -14.267 -0.509 1.00 0.00 H new ATOM 0 HA PHE A 112 2.358 -12.040 -0.261 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.790 -12.924 1.299 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.316 -11.237 1.316 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.635 -10.933 1.706 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.991 -14.227 3.030 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.023 -11.415 3.455 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.334 -14.711 4.778 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.325 -13.305 4.994 1.00 0.00 H new ATOM 872 N LEU A 113 3.903 -10.247 -1.250 1.00 0.00 N ATOM 873 CA LEU A 113 4.610 -9.322 -2.129 1.00 0.00 C ATOM 874 C LEU A 113 6.002 -9.012 -1.587 1.00 0.00 C ATOM 875 O LEU A 113 6.173 -8.767 -0.392 1.00 0.00 O ATOM 876 CB LEU A 113 3.812 -8.027 -2.288 1.00 0.00 C ATOM 877 CG LEU A 113 2.427 -8.166 -2.923 1.00 0.00 C ATOM 878 CD1 LEU A 113 1.407 -8.609 -1.886 1.00 0.00 C ATOM 879 CD2 LEU A 113 2.002 -6.854 -3.566 1.00 0.00 C ATOM 0 H LEU A 113 3.169 -9.816 -0.688 1.00 0.00 H new ATOM 0 HA LEU A 113 4.717 -9.797 -3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.695 -7.573 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.398 -7.334 -2.891 1.00 0.00 H new ATOM 0 HG LEU A 113 2.479 -8.929 -3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.428 -8.703 -2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.704 -9.572 -1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.357 -7.870 -1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.015 -6.971 -4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 113 1.967 -6.072 -2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 113 2.720 -6.578 -4.339 1.00 0.00 H new ATOM 891 N HIS A 114 6.992 -9.023 -2.472 1.00 0.00 N ATOM 892 CA HIS A 114 8.369 -8.740 -2.083 1.00 0.00 C ATOM 893 C HIS A 114 8.851 -7.431 -2.702 1.00 0.00 C ATOM 894 O HIS A 114 9.318 -7.407 -3.841 1.00 0.00 O ATOM 895 CB HIS A 114 9.288 -9.886 -2.507 1.00 0.00 C ATOM 896 CG HIS A 114 9.440 -10.949 -1.462 1.00 0.00 C ATOM 897 ND1 HIS A 114 10.097 -12.139 -1.690 1.00 0.00 N ATOM 898 CD2 HIS A 114 9.016 -10.995 -0.178 1.00 0.00 C ATOM 899 CE1 HIS A 114 10.070 -12.872 -0.591 1.00 0.00 C ATOM 900 NE2 HIS A 114 9.420 -12.200 0.342 1.00 0.00 N ATOM 0 H HIS A 114 6.867 -9.225 -3.464 1.00 0.00 H new ATOM 0 HA HIS A 114 8.400 -8.642 -0.998 1.00 0.00 H new ATOM 0 HB2 HIS A 114 8.896 -10.337 -3.418 1.00 0.00 H new ATOM 0 HB3 HIS A 114 10.271 -9.482 -2.749 1.00 0.00 H new ATOM 0 HD1 HIS A 114 10.536 -12.411 -2.570 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.463 -10.227 0.341 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.505 -13.854 -0.475 1.00 0.00 H new ATOM 908 N ILE A 115 8.733 -6.345 -1.945 1.00 0.00 N ATOM 909 CA ILE A 115 9.157 -5.034 -2.420 1.00 0.00 C ATOM 910 C ILE A 115 10.446 -4.592 -1.737 1.00 0.00 C ATOM 911 O ILE A 115 10.604 -4.749 -0.526 1.00 0.00 O ATOM 912 CB ILE A 115 8.070 -3.970 -2.179 1.00 0.00 C ATOM 913 CG1 ILE A 115 6.785 -4.345 -2.919 1.00 0.00 C ATOM 914 CG2 ILE A 115 8.562 -2.600 -2.623 1.00 0.00 C ATOM 915 CD1 ILE A 115 5.604 -3.468 -2.563 1.00 0.00 C ATOM 0 H ILE A 115 8.347 -6.347 -1.001 1.00 0.00 H new ATOM 0 HA ILE A 115 9.331 -5.128 -3.492 1.00 0.00 H new ATOM 0 HB ILE A 115 7.854 -3.929 -1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 115 6.962 -4.283 -3.993 1.00 0.00 H new ATOM 0 HG13 ILE A 115 6.537 -5.383 -2.696 1.00 0.00 H new ATOM 0 HG21 ILE A 115 7.783 -1.859 -2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.453 -2.332 -2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.803 -2.627 -3.686 1.00 0.00 H new ATOM 0 HD11 ILE A 115 4.728 -3.792 -3.125 1.00 0.00 H new ATOM 0 HD12 ILE A 115 5.400 -3.548 -1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 115 5.832 -2.432 -2.812 1.00 0.00 H new ATOM 927 N ASP A 116 11.364 -4.037 -2.521 1.00 0.00 N ATOM 928 CA ASP A 116 12.640 -3.569 -1.991 1.00 0.00 C ATOM 929 C ASP A 116 12.425 -2.603 -0.830 1.00 0.00 C ATOM 930 O ASP A 116 11.529 -1.758 -0.852 1.00 0.00 O ATOM 931 CB ASP A 116 13.455 -2.889 -3.092 1.00 0.00 C ATOM 932 CG ASP A 116 14.949 -3.029 -2.876 1.00 0.00 C ATOM 933 OD1 ASP A 116 15.494 -4.111 -3.180 1.00 0.00 O ATOM 934 OD2 ASP A 116 15.574 -2.056 -2.404 1.00 0.00 O ATOM 0 H ASP A 116 11.249 -3.900 -3.525 1.00 0.00 H new ATOM 0 HA ASP A 116 13.192 -4.434 -1.623 1.00 0.00 H new ATOM 0 HB2 ASP A 116 13.188 -3.321 -4.057 1.00 0.00 H new ATOM 0 HB3 ASP A 116 13.194 -1.831 -3.133 1.00 0.00 H new ATOM 939 N PRO A 117 13.263 -2.729 0.209 1.00 0.00 N ATOM 940 CA PRO A 117 13.184 -1.876 1.398 1.00 0.00 C ATOM 941 C PRO A 117 13.603 -0.438 1.109 1.00 0.00 C ATOM 942 O PRO A 117 13.603 0.409 2.002 1.00 0.00 O ATOM 943 CB PRO A 117 14.166 -2.533 2.372 1.00 0.00 C ATOM 944 CG PRO A 117 15.135 -3.255 1.502 1.00 0.00 C ATOM 945 CD PRO A 117 14.354 -3.714 0.302 1.00 0.00 C ATOM 0 HA PRO A 117 12.166 -1.804 1.781 1.00 0.00 H new ATOM 0 HB2 PRO A 117 14.667 -1.789 2.991 1.00 0.00 H new ATOM 0 HB3 PRO A 117 13.654 -3.218 3.048 1.00 0.00 H new ATOM 0 HG2 PRO A 117 15.956 -2.602 1.206 1.00 0.00 H new ATOM 0 HG3 PRO A 117 15.575 -4.102 2.028 1.00 0.00 H new ATOM 0 HD2 PRO A 117 14.968 -3.720 -0.599 1.00 0.00 H new ATOM 0 HD3 PRO A 117 13.972 -4.726 0.434 1.00 0.00 H new ATOM 953 N GLU A 118 13.958 -0.170 -0.144 1.00 0.00 N ATOM 954 CA GLU A 118 14.378 1.166 -0.549 1.00 0.00 C ATOM 955 C GLU A 118 13.229 1.921 -1.210 1.00 0.00 C ATOM 956 O GLU A 118 13.227 3.151 -1.260 1.00 0.00 O ATOM 957 CB GLU A 118 15.567 1.081 -1.509 1.00 0.00 C ATOM 958 CG GLU A 118 16.779 0.382 -0.917 1.00 0.00 C ATOM 959 CD GLU A 118 18.083 0.864 -1.521 1.00 0.00 C ATOM 960 OE1 GLU A 118 18.184 2.071 -1.828 1.00 0.00 O ATOM 961 OE2 GLU A 118 19.003 0.036 -1.686 1.00 0.00 O ATOM 0 H GLU A 118 13.963 -0.860 -0.895 1.00 0.00 H new ATOM 0 HA GLU A 118 14.680 1.711 0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 118 15.258 0.552 -2.411 1.00 0.00 H new ATOM 0 HB3 GLU A 118 15.851 2.089 -1.812 1.00 0.00 H new ATOM 0 HG2 GLU A 118 16.799 0.547 0.160 1.00 0.00 H new ATOM 0 HG3 GLU A 118 16.686 -0.693 -1.073 1.00 0.00 H new ATOM 968 N SER A 119 12.253 1.175 -1.717 1.00 0.00 N ATOM 969 CA SER A 119 11.099 1.773 -2.380 1.00 0.00 C ATOM 970 C SER A 119 9.939 1.941 -1.404 1.00 0.00 C ATOM 971 O SER A 119 8.865 2.417 -1.773 1.00 0.00 O ATOM 972 CB SER A 119 10.662 0.911 -3.566 1.00 0.00 C ATOM 973 OG SER A 119 10.183 -0.350 -3.130 1.00 0.00 O ATOM 0 H SER A 119 12.238 0.156 -1.682 1.00 0.00 H new ATOM 0 HA SER A 119 11.390 2.758 -2.744 1.00 0.00 H new ATOM 0 HB2 SER A 119 9.882 1.426 -4.126 1.00 0.00 H new ATOM 0 HB3 SER A 119 11.502 0.769 -4.246 1.00 0.00 H new ATOM 0 HG SER A 119 10.797 -0.720 -2.461 1.00 0.00 H new ATOM 979 N LYS A 120 10.163 1.547 -0.155 1.00 0.00 N ATOM 980 CA LYS A 120 9.139 1.654 0.877 1.00 0.00 C ATOM 981 C LYS A 120 9.269 2.969 1.639 1.00 0.00 C ATOM 982 O LYS A 120 8.275 3.532 2.098 1.00 0.00 O ATOM 983 CB LYS A 120 9.241 0.477 1.850 1.00 0.00 C ATOM 984 CG LYS A 120 8.993 -0.873 1.199 1.00 0.00 C ATOM 985 CD LYS A 120 9.169 -2.011 2.191 1.00 0.00 C ATOM 986 CE LYS A 120 8.389 -3.246 1.767 1.00 0.00 C ATOM 987 NZ LYS A 120 6.951 -3.149 2.140 1.00 0.00 N ATOM 0 H LYS A 120 11.046 1.150 0.167 1.00 0.00 H new ATOM 0 HA LYS A 120 8.164 1.632 0.389 1.00 0.00 H new ATOM 0 HB2 LYS A 120 10.232 0.476 2.303 1.00 0.00 H new ATOM 0 HB3 LYS A 120 8.522 0.620 2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 120 7.984 -0.900 0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 120 9.681 -1.007 0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 120 10.227 -2.259 2.277 1.00 0.00 H new ATOM 0 HD3 LYS A 120 8.835 -1.690 3.178 1.00 0.00 H new ATOM 0 HE2 LYS A 120 8.476 -3.378 0.689 1.00 0.00 H new ATOM 0 HE3 LYS A 120 8.826 -4.129 2.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 6.479 -4.054 1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 6.869 -2.930 3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 6.499 -2.395 1.585 1.00 0.00 H new ATOM 1001 N ILE A 121 10.500 3.454 1.768 1.00 0.00 N ATOM 1002 CA ILE A 121 10.758 4.704 2.471 1.00 0.00 C ATOM 1003 C ILE A 121 9.687 5.743 2.157 1.00 0.00 C ATOM 1004 O ILE A 121 9.104 5.742 1.073 1.00 0.00 O ATOM 1005 CB ILE A 121 12.139 5.280 2.106 1.00 0.00 C ATOM 1006 CG1 ILE A 121 13.249 4.460 2.767 1.00 0.00 C ATOM 1007 CG2 ILE A 121 12.231 6.740 2.524 1.00 0.00 C ATOM 1008 CD1 ILE A 121 13.841 3.403 1.861 1.00 0.00 C ATOM 0 H ILE A 121 11.334 3.000 1.395 1.00 0.00 H new ATOM 0 HA ILE A 121 10.738 4.477 3.537 1.00 0.00 H new ATOM 0 HB ILE A 121 12.266 5.223 1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 121 14.042 5.133 3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 121 12.851 3.979 3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 121 13.213 7.133 2.259 1.00 0.00 H new ATOM 0 HG22 ILE A 121 11.460 7.315 2.011 1.00 0.00 H new ATOM 0 HG23 ILE A 121 12.087 6.820 3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 121 14.621 2.861 2.396 1.00 0.00 H new ATOM 0 HD12 ILE A 121 13.060 2.707 1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 121 14.269 3.878 0.978 1.00 0.00 H new ATOM 1020 N LYS A 122 9.435 6.631 3.113 1.00 0.00 N ATOM 1021 CA LYS A 122 8.436 7.679 2.939 1.00 0.00 C ATOM 1022 C LYS A 122 9.092 8.992 2.523 1.00 0.00 C ATOM 1023 O LYS A 122 8.804 9.529 1.454 1.00 0.00 O ATOM 1024 CB LYS A 122 7.646 7.879 4.234 1.00 0.00 C ATOM 1025 CG LYS A 122 6.320 8.591 4.034 1.00 0.00 C ATOM 1026 CD LYS A 122 5.325 8.235 5.126 1.00 0.00 C ATOM 1027 CE LYS A 122 3.992 8.936 4.917 1.00 0.00 C ATOM 1028 NZ LYS A 122 3.117 8.834 6.117 1.00 0.00 N ATOM 0 H LYS A 122 9.909 6.646 4.016 1.00 0.00 H new ATOM 0 HA LYS A 122 7.753 7.368 2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 122 7.461 6.907 4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 122 8.253 8.451 4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 122 6.482 9.669 4.026 1.00 0.00 H new ATOM 0 HG3 LYS A 122 5.906 8.324 3.062 1.00 0.00 H new ATOM 0 HD2 LYS A 122 5.171 7.156 5.141 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.735 8.513 6.097 1.00 0.00 H new ATOM 0 HE2 LYS A 122 4.167 9.986 4.683 1.00 0.00 H new ATOM 0 HE3 LYS A 122 3.483 8.499 4.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 2.218 9.324 5.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 2.929 7.833 6.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 3.592 9.274 6.931 1.00 0.00 H new ATOM 1042 N ASP A 123 9.976 9.502 3.374 1.00 0.00 N ATOM 1043 CA ASP A 123 10.675 10.751 3.093 1.00 0.00 C ATOM 1044 C ASP A 123 11.999 10.485 2.384 1.00 0.00 C ATOM 1045 O ASP A 123 13.055 10.441 3.015 1.00 0.00 O ATOM 1046 CB ASP A 123 10.923 11.524 4.390 1.00 0.00 C ATOM 1047 CG ASP A 123 9.787 12.469 4.727 1.00 0.00 C ATOM 1048 OD1 ASP A 123 8.647 11.989 4.896 1.00 0.00 O ATOM 1049 OD2 ASP A 123 10.038 13.689 4.821 1.00 0.00 O ATOM 0 H ASP A 123 10.225 9.070 4.264 1.00 0.00 H new ATOM 0 HA ASP A 123 10.046 11.351 2.436 1.00 0.00 H new ATOM 0 HB2 ASP A 123 11.060 10.818 5.209 1.00 0.00 H new ATOM 0 HB3 ASP A 123 11.849 12.092 4.300 1.00 0.00 H new ATOM 1054 N CYS A 124 11.934 10.307 1.069 1.00 0.00 N ATOM 1055 CA CYS A 124 13.127 10.043 0.273 1.00 0.00 C ATOM 1056 C CYS A 124 13.485 11.251 -0.588 1.00 0.00 C ATOM 1057 O CYS A 124 12.618 11.989 -1.055 1.00 0.00 O ATOM 1058 CB CYS A 124 12.914 8.815 -0.613 1.00 0.00 C ATOM 1059 SG CYS A 124 11.922 9.135 -2.091 1.00 0.00 S ATOM 0 H CYS A 124 11.068 10.341 0.532 1.00 0.00 H new ATOM 0 HA CYS A 124 13.954 9.849 0.957 1.00 0.00 H new ATOM 0 HB2 CYS A 124 13.886 8.427 -0.918 1.00 0.00 H new ATOM 0 HB3 CYS A 124 12.430 8.035 -0.025 1.00 0.00 H new ATOM 0 HG CYS A 124 12.464 8.543 -3.114 1.00 0.00 H new ATOM 1065 N PRO A 125 14.792 11.458 -0.802 1.00 0.00 N ATOM 1066 CA PRO A 125 15.295 12.576 -1.607 1.00 0.00 C ATOM 1067 C PRO A 125 14.978 12.412 -3.089 1.00 0.00 C ATOM 1068 O PRO A 125 15.366 13.241 -3.912 1.00 0.00 O ATOM 1069 CB PRO A 125 16.807 12.529 -1.375 1.00 0.00 C ATOM 1070 CG PRO A 125 17.092 11.110 -1.021 1.00 0.00 C ATOM 1071 CD PRO A 125 15.881 10.618 -0.276 1.00 0.00 C ATOM 0 HA PRO A 125 14.836 13.522 -1.321 1.00 0.00 H new ATOM 0 HB2 PRO A 125 17.354 12.832 -2.268 1.00 0.00 H new ATOM 0 HB3 PRO A 125 17.106 13.205 -0.574 1.00 0.00 H new ATOM 0 HG2 PRO A 125 17.269 10.513 -1.915 1.00 0.00 H new ATOM 0 HG3 PRO A 125 17.987 11.034 -0.404 1.00 0.00 H new ATOM 0 HD2 PRO A 125 15.698 9.560 -0.462 1.00 0.00 H new ATOM 0 HD3 PRO A 125 15.996 10.737 0.801 1.00 0.00 H new ATOM 1079 N TRP A 126 14.271 11.338 -3.422 1.00 0.00 N ATOM 1080 CA TRP A 126 13.902 11.066 -4.807 1.00 0.00 C ATOM 1081 C TRP A 126 12.594 11.762 -5.168 1.00 0.00 C ATOM 1082 O TRP A 126 11.538 11.442 -4.623 1.00 0.00 O ATOM 1083 CB TRP A 126 13.771 9.559 -5.035 1.00 0.00 C ATOM 1084 CG TRP A 126 14.717 8.748 -4.201 1.00 0.00 C ATOM 1085 CD1 TRP A 126 14.417 7.635 -3.469 1.00 0.00 C ATOM 1086 CD2 TRP A 126 16.116 8.989 -4.014 1.00 0.00 C ATOM 1087 NE1 TRP A 126 15.545 7.170 -2.838 1.00 0.00 N ATOM 1088 CE2 TRP A 126 16.601 7.982 -3.156 1.00 0.00 C ATOM 1089 CE3 TRP A 126 17.007 9.956 -4.488 1.00 0.00 C ATOM 1090 CZ2 TRP A 126 17.935 7.917 -2.764 1.00 0.00 C ATOM 1091 CZ3 TRP A 126 18.331 9.890 -4.098 1.00 0.00 C ATOM 1092 CH2 TRP A 126 18.785 8.877 -3.244 1.00 0.00 C ATOM 0 H TRP A 126 13.942 10.642 -2.753 1.00 0.00 H new ATOM 0 HA TRP A 126 14.690 11.457 -5.450 1.00 0.00 H new ATOM 0 HB2 TRP A 126 12.749 9.253 -4.814 1.00 0.00 H new ATOM 0 HB3 TRP A 126 13.948 9.341 -6.088 1.00 0.00 H new ATOM 0 HD1 TRP A 126 13.437 7.186 -3.397 1.00 0.00 H new ATOM 0 HE1 TRP A 126 15.589 6.352 -2.231 1.00 0.00 H new ATOM 0 HE3 TRP A 126 16.667 10.741 -5.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 18.287 7.137 -2.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 19.028 10.632 -4.458 1.00 0.00 H new ATOM 0 HH2 TRP A 126 19.826 8.853 -2.958 1.00 0.00 H new ATOM 1103 N SER A 127 12.672 12.715 -6.092 1.00 0.00 N ATOM 1104 CA SER A 127 11.494 13.459 -6.523 1.00 0.00 C ATOM 1105 C SER A 127 11.056 13.021 -7.918 1.00 0.00 C ATOM 1106 O SER A 127 9.920 12.596 -8.119 1.00 0.00 O ATOM 1107 CB SER A 127 11.782 14.961 -6.515 1.00 0.00 C ATOM 1108 OG SER A 127 12.281 15.378 -5.255 1.00 0.00 O ATOM 0 H SER A 127 13.538 12.990 -6.556 1.00 0.00 H new ATOM 0 HA SER A 127 10.685 13.248 -5.824 1.00 0.00 H new ATOM 0 HB2 SER A 127 12.506 15.200 -7.294 1.00 0.00 H new ATOM 0 HB3 SER A 127 10.870 15.511 -6.749 1.00 0.00 H new ATOM 0 HG SER A 127 12.459 16.341 -5.276 1.00 0.00 H new ATOM 1114 N GLY A 128 11.969 13.130 -8.879 1.00 0.00 N ATOM 1115 CA GLY A 128 11.659 12.743 -10.243 1.00 0.00 C ATOM 1116 C GLY A 128 12.616 13.349 -11.250 1.00 0.00 C ATOM 1117 O GLY A 128 13.596 12.727 -11.659 1.00 0.00 O ATOM 0 H GLY A 128 12.917 13.479 -8.737 1.00 0.00 H new ATOM 0 HA2 GLY A 128 11.690 11.657 -10.325 1.00 0.00 H new ATOM 0 HA3 GLY A 128 10.641 13.052 -10.482 1.00 0.00 H new ATOM 1121 N PRO A 129 12.334 14.593 -11.666 1.00 0.00 N ATOM 1122 CA PRO A 129 13.165 15.311 -12.637 1.00 0.00 C ATOM 1123 C PRO A 129 14.520 15.706 -12.060 1.00 0.00 C ATOM 1124 O PRO A 129 15.324 16.355 -12.729 1.00 0.00 O ATOM 1125 CB PRO A 129 12.337 16.557 -12.960 1.00 0.00 C ATOM 1126 CG PRO A 129 11.482 16.766 -11.757 1.00 0.00 C ATOM 1127 CD PRO A 129 11.182 15.394 -11.219 1.00 0.00 C ATOM 0 HA PRO A 129 13.395 14.698 -13.509 1.00 0.00 H new ATOM 0 HB2 PRO A 129 12.976 17.420 -13.146 1.00 0.00 H new ATOM 0 HB3 PRO A 129 11.732 16.410 -13.855 1.00 0.00 H new ATOM 0 HG2 PRO A 129 11.997 17.373 -11.013 1.00 0.00 H new ATOM 0 HG3 PRO A 129 10.564 17.292 -12.017 1.00 0.00 H new ATOM 0 HD2 PRO A 129 11.093 15.399 -10.133 1.00 0.00 H new ATOM 0 HD3 PRO A 129 10.244 15.004 -11.614 1.00 0.00 H new ATOM 1135 N SER A 130 14.766 15.310 -10.815 1.00 0.00 N ATOM 1136 CA SER A 130 16.023 15.626 -10.148 1.00 0.00 C ATOM 1137 C SER A 130 16.824 14.358 -9.867 1.00 0.00 C ATOM 1138 O SER A 130 18.051 14.351 -9.967 1.00 0.00 O ATOM 1139 CB SER A 130 15.757 16.374 -8.840 1.00 0.00 C ATOM 1140 OG SER A 130 16.964 16.633 -8.145 1.00 0.00 O ATOM 0 H SER A 130 14.112 14.770 -10.249 1.00 0.00 H new ATOM 0 HA SER A 130 16.607 16.264 -10.812 1.00 0.00 H new ATOM 0 HB2 SER A 130 15.247 17.314 -9.052 1.00 0.00 H new ATOM 0 HB3 SER A 130 15.090 15.785 -8.210 1.00 0.00 H new ATOM 0 HG SER A 130 16.766 17.113 -7.314 1.00 0.00 H new ATOM 1146 N SER A 131 16.120 13.287 -9.516 1.00 0.00 N ATOM 1147 CA SER A 131 16.764 12.013 -9.218 1.00 0.00 C ATOM 1148 C SER A 131 17.912 11.745 -10.185 1.00 0.00 C ATOM 1149 O SER A 131 17.753 11.850 -11.401 1.00 0.00 O ATOM 1150 CB SER A 131 15.745 10.874 -9.289 1.00 0.00 C ATOM 1151 OG SER A 131 14.780 10.987 -8.258 1.00 0.00 O ATOM 0 H SER A 131 15.104 13.276 -9.431 1.00 0.00 H new ATOM 0 HA SER A 131 17.169 12.066 -8.207 1.00 0.00 H new ATOM 0 HB2 SER A 131 15.248 10.887 -10.259 1.00 0.00 H new ATOM 0 HB3 SER A 131 16.259 9.916 -9.207 1.00 0.00 H new ATOM 0 HG SER A 131 14.140 10.248 -8.327 1.00 0.00 H new ATOM 1157 N GLY A 132 19.072 11.398 -9.636 1.00 0.00 N ATOM 1158 CA GLY A 132 20.232 11.120 -10.463 1.00 0.00 C ATOM 1159 C GLY A 132 20.387 9.643 -10.766 1.00 0.00 C ATOM 1160 O GLY A 132 21.354 9.036 -10.308 1.00 0.00 O ATOM 0 H GLY A 132 19.229 11.304 -8.633 1.00 0.00 H new ATOM 0 HA2 GLY A 132 20.148 11.673 -11.399 1.00 0.00 H new ATOM 0 HA3 GLY A 132 21.129 11.480 -9.959 1.00 0.00 H new TER 1164 GLY A 132 HETATM 1165 ZN ZN A 256 -13.805 -10.141 7.714 1.00 0.00 ZN HETATM 1166 ZN ZN A 456 8.279 -13.578 1.834 1.00 0.00 ZN