USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 403 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: B 50 LYS HZ2 : B 50 LYS NZ : A 132 GLY C :(NH2R) USER MOD NoAdj-H: B 50 LYS HZ3 : B 50 LYS NZ : A 132 GLY C :(NH2R) USER MOD Single : A 109 THR OG1 : rot 75:sc= 0.195 USER MOD Single : A 110 ASN : amide:sc= -0.137 K(o=-0.14,f=-2.4!) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 165:sc= -0.171 USER MOD Single : A 121 THR OG1 : rot -82:sc= 1.4 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 123 GLN : amide:sc= -2.24! K(o=-2.2!,f=-0.25) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot 180:sc= -0.0728 USER MOD Single : B 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 HIS : no HD1:sc= -0.453 X(o=-0.45,f=-0.042) USER MOD Single : B 37 HIS : no HD1:sc= 0 X(o=0,f=-0.3) USER MOD Single : B 50 LYS NZ :NH3+ -114:sc= -0.0649 (180deg=-0.899) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 106 -7.639 -3.067 16.285 1.00 0.00 N ATOM 2 CA ALA A 106 -6.189 -2.747 16.320 1.00 0.00 C ATOM 3 C ALA A 106 -5.367 -3.870 15.696 1.00 0.00 C ATOM 4 O ALA A 106 -4.236 -4.130 16.108 1.00 0.00 O ATOM 5 CB ALA A 106 -5.740 -2.495 17.752 1.00 0.00 C ATOM 0 HA ALA A 106 -6.025 -1.842 15.735 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -4.675 -2.262 17.764 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -6.300 -1.657 18.167 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -5.923 -3.386 18.353 1.00 0.00 H new ATOM 13 N ALA A 107 -5.945 -4.534 14.700 1.00 0.00 N ATOM 14 CA ALA A 107 -5.269 -5.629 14.017 1.00 0.00 C ATOM 15 C ALA A 107 -5.770 -5.775 12.584 1.00 0.00 C ATOM 16 O ALA A 107 -6.921 -6.146 12.355 1.00 0.00 O ATOM 17 CB ALA A 107 -5.467 -6.929 14.782 1.00 0.00 C ATOM 0 H ALA A 107 -6.881 -4.332 14.348 1.00 0.00 H new ATOM 0 HA ALA A 107 -4.204 -5.400 13.980 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -4.957 -7.739 14.261 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -5.055 -6.827 15.786 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -6.532 -7.154 14.848 1.00 0.00 H new ATOM 23 N ALA A 108 -4.900 -5.478 11.623 1.00 0.00 N ATOM 24 CA ALA A 108 -5.254 -5.576 10.213 1.00 0.00 C ATOM 25 C ALA A 108 -4.970 -6.973 9.671 1.00 0.00 C ATOM 26 O ALA A 108 -4.159 -7.713 10.230 1.00 0.00 O ATOM 27 CB ALA A 108 -4.497 -4.531 9.407 1.00 0.00 C ATOM 0 H ALA A 108 -3.944 -5.167 11.797 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.324 -5.389 10.118 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.770 -4.615 8.355 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.753 -3.536 9.770 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.425 -4.693 9.517 1.00 0.00 H new ATOM 33 N THR A 109 -5.643 -7.327 8.582 1.00 0.00 N ATOM 34 CA THR A 109 -5.469 -8.635 7.962 1.00 0.00 C ATOM 35 C THR A 109 -4.289 -8.631 6.994 1.00 0.00 C ATOM 36 O THR A 109 -4.467 -8.779 5.784 1.00 0.00 O ATOM 37 CB THR A 109 -6.740 -9.066 7.205 1.00 0.00 C ATOM 38 OG1 THR A 109 -7.037 -8.125 6.166 1.00 0.00 O ATOM 39 CG2 THR A 109 -7.924 -9.169 8.153 1.00 0.00 C ATOM 0 H THR A 109 -6.316 -6.724 8.109 1.00 0.00 H new ATOM 0 HA THR A 109 -5.273 -9.346 8.765 1.00 0.00 H new ATOM 0 HB THR A 109 -6.558 -10.047 6.765 1.00 0.00 H new ATOM 0 HG1 THR A 109 -6.408 -8.247 5.425 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.810 -9.475 7.597 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.708 -9.907 8.926 1.00 0.00 H new ATOM 0 HG23 THR A 109 -8.104 -8.199 8.617 1.00 0.00 H new ATOM 47 N ASN A 110 -3.085 -8.461 7.539 1.00 0.00 N ATOM 48 CA ASN A 110 -1.866 -8.427 6.733 1.00 0.00 C ATOM 49 C ASN A 110 -1.886 -7.243 5.764 1.00 0.00 C ATOM 50 O ASN A 110 -2.950 -6.716 5.445 1.00 0.00 O ATOM 51 CB ASN A 110 -1.688 -9.739 5.965 1.00 0.00 C ATOM 52 CG ASN A 110 -1.410 -10.915 6.879 1.00 0.00 C ATOM 53 OD1 ASN A 110 -1.884 -10.961 8.014 1.00 0.00 O ATOM 54 ND2 ASN A 110 -0.632 -11.873 6.387 1.00 0.00 N ATOM 0 H ASN A 110 -2.928 -8.344 8.540 1.00 0.00 H new ATOM 0 HA ASN A 110 -1.020 -8.304 7.409 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -2.588 -9.940 5.383 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -0.867 -9.632 5.256 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -0.406 -12.689 6.956 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -0.261 -11.793 5.440 1.00 0.00 H new ATOM 61 N PRO A 111 -0.708 -6.796 5.290 1.00 0.00 N ATOM 62 CA PRO A 111 -0.616 -5.662 4.365 1.00 0.00 C ATOM 63 C PRO A 111 -1.003 -6.001 2.927 1.00 0.00 C ATOM 64 O PRO A 111 -2.136 -5.770 2.507 1.00 0.00 O ATOM 65 CB PRO A 111 0.856 -5.273 4.427 1.00 0.00 C ATOM 66 CG PRO A 111 1.576 -6.522 4.804 1.00 0.00 C ATOM 67 CD PRO A 111 0.623 -7.338 5.636 1.00 0.00 C ATOM 0 HA PRO A 111 -1.310 -4.872 4.653 1.00 0.00 H new ATOM 0 HB2 PRO A 111 1.203 -4.893 3.466 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.024 -4.485 5.161 1.00 0.00 H new ATOM 0 HG2 PRO A 111 1.884 -7.074 3.916 1.00 0.00 H new ATOM 0 HG3 PRO A 111 2.481 -6.292 5.366 1.00 0.00 H new ATOM 0 HD2 PRO A 111 0.695 -8.400 5.400 1.00 0.00 H new ATOM 0 HD3 PRO A 111 0.832 -7.233 6.701 1.00 0.00 H new ATOM 75 N ALA A 112 -0.045 -6.542 2.180 1.00 0.00 N ATOM 76 CA ALA A 112 -0.252 -6.891 0.781 1.00 0.00 C ATOM 77 C ALA A 112 -1.397 -7.881 0.590 1.00 0.00 C ATOM 78 O ALA A 112 -2.024 -7.910 -0.467 1.00 0.00 O ATOM 79 CB ALA A 112 1.037 -7.434 0.195 1.00 0.00 C ATOM 0 H ALA A 112 0.892 -6.749 2.527 1.00 0.00 H new ATOM 0 HA ALA A 112 -0.538 -5.983 0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 112 0.880 -7.694 -0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.817 -6.676 0.267 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.342 -8.322 0.748 1.00 0.00 H new ATOM 85 N ARG A 113 -1.662 -8.697 1.601 1.00 0.00 N ATOM 86 CA ARG A 113 -2.746 -9.665 1.525 1.00 0.00 C ATOM 87 C ARG A 113 -4.082 -8.935 1.514 1.00 0.00 C ATOM 88 O ARG A 113 -5.088 -9.442 1.014 1.00 0.00 O ATOM 89 CB ARG A 113 -2.674 -10.629 2.707 1.00 0.00 C ATOM 90 CG ARG A 113 -1.590 -11.689 2.575 1.00 0.00 C ATOM 91 CD ARG A 113 -0.197 -11.078 2.557 1.00 0.00 C ATOM 92 NE ARG A 113 0.841 -12.084 2.349 1.00 0.00 N ATOM 93 CZ ARG A 113 2.121 -11.790 2.141 1.00 0.00 C ATOM 94 NH1 ARG A 113 2.520 -10.525 2.112 1.00 0.00 N ATOM 95 NH2 ARG A 113 3.005 -12.762 1.962 1.00 0.00 N ATOM 0 H ARG A 113 -1.144 -8.708 2.479 1.00 0.00 H new ATOM 0 HA ARG A 113 -2.650 -10.242 0.605 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -2.500 -10.058 3.619 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -3.639 -11.123 2.819 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -1.667 -12.392 3.404 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -1.749 -12.258 1.659 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -0.140 -10.330 1.766 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -0.016 -10.561 3.499 1.00 0.00 H new ATOM 0 HE ARG A 113 0.569 -13.067 2.364 1.00 0.00 H new ATOM 0 HH11 ARG A 113 1.844 -9.774 2.250 1.00 0.00 H new ATOM 0 HH12 ARG A 113 3.503 -10.304 1.952 1.00 0.00 H new ATOM 0 HH21 ARG A 113 2.703 -13.736 1.984 1.00 0.00 H new ATOM 0 HH22 ARG A 113 3.987 -12.536 1.802 1.00 0.00 H new ATOM 109 N TYR A 114 -4.068 -7.734 2.078 1.00 0.00 N ATOM 110 CA TYR A 114 -5.248 -6.881 2.144 1.00 0.00 C ATOM 111 C TYR A 114 -5.232 -5.872 0.998 1.00 0.00 C ATOM 112 O TYR A 114 -6.272 -5.358 0.583 1.00 0.00 O ATOM 113 CB TYR A 114 -5.284 -6.173 3.511 1.00 0.00 C ATOM 114 CG TYR A 114 -5.799 -4.755 3.493 1.00 0.00 C ATOM 115 CD1 TYR A 114 -7.126 -4.496 3.193 1.00 0.00 C ATOM 116 CD2 TYR A 114 -4.967 -3.680 3.797 1.00 0.00 C ATOM 117 CE1 TYR A 114 -7.617 -3.212 3.191 1.00 0.00 C ATOM 118 CE2 TYR A 114 -5.455 -2.388 3.797 1.00 0.00 C ATOM 119 CZ TYR A 114 -6.781 -2.159 3.493 1.00 0.00 C ATOM 120 OH TYR A 114 -7.271 -0.874 3.493 1.00 0.00 O ATOM 0 H TYR A 114 -3.237 -7.323 2.503 1.00 0.00 H new ATOM 0 HA TYR A 114 -6.149 -7.486 2.040 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -5.906 -6.759 4.188 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -4.276 -6.170 3.926 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -7.787 -5.317 2.957 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -3.929 -3.859 4.035 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -8.655 -3.029 2.954 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -4.802 -1.561 4.034 1.00 0.00 H new ATOM 0 HH TYR A 114 -6.553 -0.250 3.728 1.00 0.00 H new ATOM 130 N CYS A 115 -4.039 -5.619 0.473 1.00 0.00 N ATOM 131 CA CYS A 115 -3.860 -4.668 -0.616 1.00 0.00 C ATOM 132 C CYS A 115 -3.986 -5.337 -1.980 1.00 0.00 C ATOM 133 O CYS A 115 -4.111 -4.663 -3.000 1.00 0.00 O ATOM 134 CB CYS A 115 -2.492 -3.996 -0.482 1.00 0.00 C ATOM 135 SG CYS A 115 -2.394 -2.810 0.894 1.00 0.00 S ATOM 0 H CYS A 115 -3.176 -6.063 0.787 1.00 0.00 H new ATOM 0 HA CYS A 115 -4.650 -3.920 -0.548 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -1.731 -4.764 -0.343 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -2.257 -3.480 -1.413 1.00 0.00 H new ATOM 140 N CYS A 116 -3.968 -6.664 -1.994 1.00 0.00 N ATOM 141 CA CYS A 116 -4.069 -7.410 -3.241 1.00 0.00 C ATOM 142 C CYS A 116 -5.502 -7.865 -3.503 1.00 0.00 C ATOM 143 O CYS A 116 -5.828 -8.319 -4.601 1.00 0.00 O ATOM 144 CB CYS A 116 -3.134 -8.623 -3.204 1.00 0.00 C ATOM 145 SG CYS A 116 -3.172 -9.649 -4.709 1.00 0.00 S ATOM 0 H CYS A 116 -3.885 -7.244 -1.159 1.00 0.00 H new ATOM 0 HA CYS A 116 -3.772 -6.747 -4.054 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -2.114 -8.275 -3.042 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -3.399 -9.244 -2.349 1.00 0.00 H new ATOM 150 N LEU A 117 -6.357 -7.739 -2.493 1.00 0.00 N ATOM 151 CA LEU A 117 -7.751 -8.149 -2.621 1.00 0.00 C ATOM 152 C LEU A 117 -8.681 -6.950 -2.765 1.00 0.00 C ATOM 153 O LEU A 117 -9.265 -6.733 -3.826 1.00 0.00 O ATOM 154 CB LEU A 117 -8.171 -8.989 -1.418 1.00 0.00 C ATOM 155 CG LEU A 117 -7.447 -10.330 -1.272 1.00 0.00 C ATOM 156 CD1 LEU A 117 -7.856 -11.015 0.022 1.00 0.00 C ATOM 157 CD2 LEU A 117 -7.738 -11.229 -2.465 1.00 0.00 C ATOM 0 H LEU A 117 -6.110 -7.358 -1.580 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.833 -8.749 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.006 -8.405 -0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -9.242 -9.178 -1.484 1.00 0.00 H new ATOM 0 HG LEU A 117 -6.374 -10.140 -1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -7.333 -11.967 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.597 -10.378 0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.932 -11.191 0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -7.214 -12.177 -2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -8.811 -11.412 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -7.398 -10.742 -3.379 1.00 0.00 H new ATOM 169 N SER A 118 -8.815 -6.175 -1.696 1.00 0.00 N ATOM 170 CA SER A 118 -9.689 -5.010 -1.711 1.00 0.00 C ATOM 171 C SER A 118 -8.985 -3.788 -2.294 1.00 0.00 C ATOM 172 O SER A 118 -9.480 -3.168 -3.236 1.00 0.00 O ATOM 173 CB SER A 118 -10.191 -4.701 -0.300 1.00 0.00 C ATOM 174 OG SER A 118 -9.113 -4.403 0.572 1.00 0.00 O ATOM 0 H SER A 118 -8.332 -6.331 -0.811 1.00 0.00 H new ATOM 0 HA SER A 118 -10.540 -5.246 -2.350 1.00 0.00 H new ATOM 0 HB2 SER A 118 -10.880 -3.857 -0.333 1.00 0.00 H new ATOM 0 HB3 SER A 118 -10.749 -5.554 0.086 1.00 0.00 H new ATOM 0 HG SER A 118 -9.458 -3.985 1.388 1.00 0.00 H new ATOM 180 N GLY A 119 -7.832 -3.445 -1.729 1.00 0.00 N ATOM 181 CA GLY A 119 -7.089 -2.293 -2.205 1.00 0.00 C ATOM 182 C GLY A 119 -6.616 -1.405 -1.072 1.00 0.00 C ATOM 183 O GLY A 119 -7.120 -1.502 0.047 1.00 0.00 O ATOM 0 H GLY A 119 -7.399 -3.943 -0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -6.228 -2.632 -2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -7.717 -1.712 -2.881 1.00 0.00 H new ATOM 187 N CYS A 120 -5.646 -0.536 -1.355 1.00 0.00 N ATOM 188 CA CYS A 120 -5.125 0.369 -0.334 1.00 0.00 C ATOM 189 C CYS A 120 -4.693 1.696 -0.937 1.00 0.00 C ATOM 190 O CYS A 120 -3.972 1.738 -1.935 1.00 0.00 O ATOM 191 CB CYS A 120 -3.944 -0.267 0.398 1.00 0.00 C ATOM 192 SG CYS A 120 -4.236 -1.977 0.934 1.00 0.00 S ATOM 0 H CYS A 120 -5.210 -0.440 -2.272 1.00 0.00 H new ATOM 0 HA CYS A 120 -5.931 0.557 0.376 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -3.072 -0.247 -0.256 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -3.702 0.340 1.271 1.00 0.00 H new ATOM 197 N THR A 121 -5.142 2.778 -0.314 1.00 0.00 N ATOM 198 CA THR A 121 -4.820 4.118 -0.776 1.00 0.00 C ATOM 199 C THR A 121 -3.385 4.483 -0.420 1.00 0.00 C ATOM 200 O THR A 121 -2.649 3.674 0.143 1.00 0.00 O ATOM 201 CB THR A 121 -5.765 5.172 -0.163 1.00 0.00 C ATOM 202 OG1 THR A 121 -5.222 5.656 1.072 1.00 0.00 O ATOM 203 CG2 THR A 121 -7.149 4.587 0.088 1.00 0.00 C ATOM 0 H THR A 121 -5.733 2.751 0.517 1.00 0.00 H new ATOM 0 HA THR A 121 -4.943 4.117 -1.859 1.00 0.00 H new ATOM 0 HB THR A 121 -5.858 5.994 -0.872 1.00 0.00 H new ATOM 0 HG1 THR A 121 -5.437 5.028 1.793 1.00 0.00 H new ATOM 0 HG21 THR A 121 -7.794 5.352 0.520 1.00 0.00 H new ATOM 0 HG22 THR A 121 -7.575 4.243 -0.854 1.00 0.00 H new ATOM 0 HG23 THR A 121 -7.069 3.747 0.778 1.00 0.00 H new ATOM 211 N GLN A 122 -2.998 5.706 -0.751 1.00 0.00 N ATOM 212 CA GLN A 122 -1.655 6.191 -0.461 1.00 0.00 C ATOM 213 C GLN A 122 -1.415 6.241 1.040 1.00 0.00 C ATOM 214 O GLN A 122 -0.304 6.016 1.509 1.00 0.00 O ATOM 215 CB GLN A 122 -1.476 7.589 -1.056 1.00 0.00 C ATOM 216 CG GLN A 122 -0.150 8.245 -0.709 1.00 0.00 C ATOM 217 CD GLN A 122 -0.189 9.753 -0.865 1.00 0.00 C ATOM 218 OE1 GLN A 122 -0.875 10.281 -1.740 1.00 0.00 O ATOM 219 NE2 GLN A 122 0.541 10.455 -0.005 1.00 0.00 N ATOM 0 H GLN A 122 -3.597 6.384 -1.222 1.00 0.00 H new ATOM 0 HA GLN A 122 -0.933 5.506 -0.906 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -1.565 7.525 -2.140 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -2.288 8.228 -0.707 1.00 0.00 H new ATOM 0 HG2 GLN A 122 0.117 7.996 0.318 1.00 0.00 H new ATOM 0 HG3 GLN A 122 0.632 7.837 -1.349 1.00 0.00 H new ATOM 0 HE21 GLN A 122 1.095 9.975 0.704 1.00 0.00 H new ATOM 0 HE22 GLN A 122 0.548 11.474 -0.054 1.00 0.00 H new ATOM 228 N GLN A 123 -2.468 6.556 1.779 1.00 0.00 N ATOM 229 CA GLN A 123 -2.394 6.643 3.234 1.00 0.00 C ATOM 230 C GLN A 123 -2.394 5.252 3.864 1.00 0.00 C ATOM 231 O GLN A 123 -1.748 5.018 4.889 1.00 0.00 O ATOM 232 CB GLN A 123 -3.580 7.450 3.761 1.00 0.00 C ATOM 233 CG GLN A 123 -3.729 8.813 3.102 1.00 0.00 C ATOM 234 CD GLN A 123 -2.748 9.841 3.635 1.00 0.00 C ATOM 235 OE1 GLN A 123 -2.268 10.699 2.893 1.00 0.00 O ATOM 236 NE2 GLN A 123 -2.460 9.772 4.929 1.00 0.00 N ATOM 0 H GLN A 123 -3.391 6.757 1.394 1.00 0.00 H new ATOM 0 HA GLN A 123 -1.463 7.141 3.504 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -4.495 6.879 3.606 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -3.467 7.586 4.837 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -3.587 8.708 2.026 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -4.745 9.175 3.256 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -2.881 9.044 5.507 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -1.818 10.447 5.345 1.00 0.00 H new ATOM 245 N ASP A 124 -3.110 4.330 3.231 1.00 0.00 N ATOM 246 CA ASP A 124 -3.206 2.958 3.720 1.00 0.00 C ATOM 247 C ASP A 124 -1.902 2.241 3.442 1.00 0.00 C ATOM 248 O ASP A 124 -1.625 1.169 3.981 1.00 0.00 O ATOM 249 CB ASP A 124 -4.370 2.222 3.052 1.00 0.00 C ATOM 250 CG ASP A 124 -5.718 2.787 3.455 1.00 0.00 C ATOM 251 OD1 ASP A 124 -6.097 3.853 2.927 1.00 0.00 O ATOM 252 OD2 ASP A 124 -6.394 2.162 4.299 1.00 0.00 O ATOM 0 H ASP A 124 -3.635 4.508 2.375 1.00 0.00 H new ATOM 0 HA ASP A 124 -3.393 2.974 4.794 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -4.262 2.284 1.969 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -4.328 1.165 3.317 1.00 0.00 H new ATOM 257 N LEU A 125 -1.117 2.856 2.578 1.00 0.00 N ATOM 258 CA LEU A 125 0.164 2.372 2.194 1.00 0.00 C ATOM 259 C LEU A 125 1.201 3.042 3.082 1.00 0.00 C ATOM 260 O LEU A 125 2.124 2.411 3.598 1.00 0.00 O ATOM 261 CB LEU A 125 0.319 2.762 0.733 1.00 0.00 C ATOM 262 CG LEU A 125 1.632 3.379 0.350 1.00 0.00 C ATOM 263 CD1 LEU A 125 2.763 2.409 0.607 1.00 0.00 C ATOM 264 CD2 LEU A 125 1.596 3.773 -1.100 1.00 0.00 C ATOM 0 H LEU A 125 -1.375 3.730 2.120 1.00 0.00 H new ATOM 0 HA LEU A 125 0.285 1.295 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.167 1.872 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -0.476 3.463 0.479 1.00 0.00 H new ATOM 0 HG LEU A 125 1.802 4.268 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 125 3.709 2.870 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 125 2.787 2.150 1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 125 2.609 1.506 0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 125 2.550 4.221 -1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 125 1.417 2.889 -1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 125 0.795 4.494 -1.261 1.00 0.00 H new ATOM 276 N LEU A 126 1.000 4.338 3.239 1.00 0.00 N ATOM 277 CA LEU A 126 1.839 5.190 4.067 1.00 0.00 C ATOM 278 C LEU A 126 2.167 4.514 5.394 1.00 0.00 C ATOM 279 O LEU A 126 3.317 4.503 5.833 1.00 0.00 O ATOM 280 CB LEU A 126 1.096 6.515 4.315 1.00 0.00 C ATOM 281 CG LEU A 126 0.739 6.814 5.775 1.00 0.00 C ATOM 282 CD1 LEU A 126 1.936 7.375 6.521 1.00 0.00 C ATOM 283 CD2 LEU A 126 -0.441 7.765 5.858 1.00 0.00 C ATOM 0 H LEU A 126 0.235 4.839 2.787 1.00 0.00 H new ATOM 0 HA LEU A 126 2.781 5.378 3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.711 7.331 3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.177 6.510 3.729 1.00 0.00 H new ATOM 0 HG LEU A 126 0.453 5.876 6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.657 7.579 7.555 1.00 0.00 H new ATOM 0 HD12 LEU A 126 2.750 6.650 6.501 1.00 0.00 H new ATOM 0 HD13 LEU A 126 2.262 8.299 6.044 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.676 7.963 6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.190 8.701 5.359 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -1.306 7.315 5.370 1.00 0.00 H new ATOM 295 N THR A 127 1.139 3.958 6.024 1.00 0.00 N ATOM 296 CA THR A 127 1.288 3.303 7.313 1.00 0.00 C ATOM 297 C THR A 127 2.375 2.236 7.293 1.00 0.00 C ATOM 298 O THR A 127 3.203 2.177 8.203 1.00 0.00 O ATOM 299 CB THR A 127 -0.043 2.702 7.776 1.00 0.00 C ATOM 300 OG1 THR A 127 0.135 1.993 9.009 1.00 0.00 O ATOM 301 CG2 THR A 127 -0.599 1.772 6.719 1.00 0.00 C ATOM 0 H THR A 127 0.187 3.949 5.658 1.00 0.00 H new ATOM 0 HA THR A 127 1.595 4.068 8.026 1.00 0.00 H new ATOM 0 HB THR A 127 -0.752 3.514 7.935 1.00 0.00 H new ATOM 0 HG1 THR A 127 -0.722 1.615 9.296 1.00 0.00 H new ATOM 0 HG21 THR A 127 -1.545 1.353 7.064 1.00 0.00 H new ATOM 0 HG22 THR A 127 -0.763 2.327 5.796 1.00 0.00 H new ATOM 0 HG23 THR A 127 0.110 0.964 6.536 1.00 0.00 H new ATOM 309 N LEU A 128 2.380 1.388 6.267 1.00 0.00 N ATOM 310 CA LEU A 128 3.398 0.355 6.166 1.00 0.00 C ATOM 311 C LEU A 128 4.781 0.980 6.090 1.00 0.00 C ATOM 312 O LEU A 128 5.602 0.787 6.988 1.00 0.00 O ATOM 313 CB LEU A 128 3.141 -0.566 4.972 1.00 0.00 C ATOM 314 CG LEU A 128 2.312 -1.793 5.328 1.00 0.00 C ATOM 315 CD1 LEU A 128 0.971 -1.771 4.614 1.00 0.00 C ATOM 316 CD2 LEU A 128 3.092 -3.054 5.014 1.00 0.00 C ATOM 0 H LEU A 128 1.700 1.397 5.507 1.00 0.00 H new ATOM 0 HA LEU A 128 3.349 -0.259 7.065 1.00 0.00 H new ATOM 0 HB2 LEU A 128 2.629 -0.004 4.191 1.00 0.00 H new ATOM 0 HB3 LEU A 128 4.096 -0.889 4.558 1.00 0.00 H new ATOM 0 HG LEU A 128 2.105 -1.779 6.398 1.00 0.00 H new ATOM 0 HD11 LEU A 128 0.399 -2.658 4.886 1.00 0.00 H new ATOM 0 HD12 LEU A 128 0.417 -0.879 4.907 1.00 0.00 H new ATOM 0 HD13 LEU A 128 1.133 -1.760 3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 128 2.492 -3.927 5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 128 3.331 -3.079 3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 128 4.015 -3.065 5.594 1.00 0.00 H new ATOM 328 N CYS A 129 5.037 1.740 5.027 1.00 0.00 N ATOM 329 CA CYS A 129 6.324 2.404 4.862 1.00 0.00 C ATOM 330 C CYS A 129 7.479 1.392 4.938 1.00 0.00 C ATOM 331 O CYS A 129 7.240 0.205 5.153 1.00 0.00 O ATOM 332 CB CYS A 129 6.458 3.489 5.935 1.00 0.00 C ATOM 333 SG CYS A 129 6.523 5.199 5.290 1.00 0.00 S ATOM 0 H CYS A 129 4.373 1.910 4.272 1.00 0.00 H new ATOM 0 HA CYS A 129 6.375 2.867 3.876 1.00 0.00 H new ATOM 0 HB2 CYS A 129 5.616 3.406 6.623 1.00 0.00 H new ATOM 0 HB3 CYS A 129 7.362 3.299 6.513 1.00 0.00 H new ATOM 338 N PRO A 130 8.750 1.826 4.739 1.00 0.00 N ATOM 339 CA PRO A 130 9.902 0.919 4.791 1.00 0.00 C ATOM 340 C PRO A 130 9.977 0.120 6.085 1.00 0.00 C ATOM 341 O PRO A 130 10.645 0.520 7.039 1.00 0.00 O ATOM 342 CB PRO A 130 11.121 1.846 4.668 1.00 0.00 C ATOM 343 CG PRO A 130 10.599 3.220 4.903 1.00 0.00 C ATOM 344 CD PRO A 130 9.176 3.201 4.433 1.00 0.00 C ATOM 0 HA PRO A 130 9.840 0.170 4.002 1.00 0.00 H new ATOM 0 HB2 PRO A 130 11.887 1.587 5.399 1.00 0.00 H new ATOM 0 HB3 PRO A 130 11.580 1.763 3.683 1.00 0.00 H new ATOM 0 HG2 PRO A 130 10.659 3.486 5.958 1.00 0.00 H new ATOM 0 HG3 PRO A 130 11.182 3.959 4.354 1.00 0.00 H new ATOM 0 HD2 PRO A 130 8.567 3.939 4.956 1.00 0.00 H new ATOM 0 HD3 PRO A 130 9.099 3.421 3.368 1.00 0.00 H new ATOM 352 N TYR A 131 9.281 -1.010 6.111 1.00 0.00 N ATOM 353 CA TYR A 131 9.288 -1.885 7.274 1.00 0.00 C ATOM 354 C TYR A 131 10.645 -2.568 7.377 1.00 0.00 C ATOM 355 O TYR A 131 10.980 -3.179 8.393 1.00 0.00 O ATOM 356 CB TYR A 131 8.170 -2.926 7.170 1.00 0.00 C ATOM 357 CG TYR A 131 7.881 -3.367 5.753 1.00 0.00 C ATOM 358 CD1 TYR A 131 8.676 -4.317 5.123 1.00 0.00 C ATOM 359 CD2 TYR A 131 6.816 -2.827 5.041 1.00 0.00 C ATOM 360 CE1 TYR A 131 8.417 -4.718 3.826 1.00 0.00 C ATOM 361 CE2 TYR A 131 6.551 -3.222 3.744 1.00 0.00 C ATOM 362 CZ TYR A 131 7.355 -4.167 3.141 1.00 0.00 C ATOM 363 OH TYR A 131 7.095 -4.562 1.849 1.00 0.00 O ATOM 0 H TYR A 131 8.704 -1.341 5.338 1.00 0.00 H new ATOM 0 HA TYR A 131 9.113 -1.293 8.172 1.00 0.00 H new ATOM 0 HB2 TYR A 131 8.441 -3.798 7.765 1.00 0.00 H new ATOM 0 HB3 TYR A 131 7.260 -2.514 7.606 1.00 0.00 H new ATOM 0 HD1 TYR A 131 9.510 -4.749 5.656 1.00 0.00 H new ATOM 0 HD2 TYR A 131 6.185 -2.086 5.510 1.00 0.00 H new ATOM 0 HE1 TYR A 131 9.043 -5.459 3.352 1.00 0.00 H new ATOM 0 HE2 TYR A 131 5.719 -2.793 3.205 1.00 0.00 H new ATOM 0 HH TYR A 131 6.312 -4.079 1.510 1.00 0.00 H new ATOM 373 N GLY A 132 11.417 -2.446 6.302 1.00 0.00 N ATOM 374 CA GLY A 132 12.745 -3.023 6.248 1.00 0.00 C ATOM 375 C GLY A 132 13.679 -2.189 5.393 1.00 0.00 C ATOM 376 O GLY A 132 14.844 -1.996 5.739 1.00 0.00 O ATOM 0 H GLY A 132 11.139 -1.949 5.455 1.00 0.00 H new ATOM 0 HA2 GLY A 132 13.149 -3.104 7.257 1.00 0.00 H new ATOM 0 HA3 GLY A 132 12.687 -4.034 5.846 1.00 0.00 H new TER 380 GLY A 132 ATOM 381 N PRO B 25 -11.743 17.189 1.236 1.00 0.00 N ATOM 382 CA PRO B 25 -12.199 15.967 0.529 1.00 0.00 C ATOM 383 C PRO B 25 -11.181 15.524 -0.516 1.00 0.00 C ATOM 384 O PRO B 25 -10.613 16.349 -1.232 1.00 0.00 O ATOM 385 CB PRO B 25 -13.540 16.253 -0.134 1.00 0.00 C ATOM 386 CG PRO B 25 -13.758 17.707 0.115 1.00 0.00 C ATOM 387 CD PRO B 25 -12.930 18.061 1.331 1.00 0.00 C ATOM 0 HA PRO B 25 -12.305 15.158 1.252 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -13.515 16.029 -1.201 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -14.337 15.649 0.299 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -13.453 18.299 -0.748 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -14.813 17.917 0.289 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -12.650 19.114 1.328 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -13.482 17.881 2.253 1.00 0.00 H new ATOM 397 N THR B 26 -10.954 14.216 -0.596 1.00 0.00 N ATOM 398 CA THR B 26 -10.002 13.662 -1.553 1.00 0.00 C ATOM 399 C THR B 26 -10.413 12.252 -1.983 1.00 0.00 C ATOM 400 O THR B 26 -10.919 11.476 -1.172 1.00 0.00 O ATOM 401 CB THR B 26 -8.581 13.614 -0.962 1.00 0.00 C ATOM 402 OG1 THR B 26 -7.672 13.045 -1.912 1.00 0.00 O ATOM 403 CG2 THR B 26 -8.552 12.798 0.323 1.00 0.00 C ATOM 0 H THR B 26 -11.416 13.521 -0.010 1.00 0.00 H new ATOM 0 HA THR B 26 -10.004 14.319 -2.423 1.00 0.00 H new ATOM 0 HB THR B 26 -8.276 14.635 -0.732 1.00 0.00 H new ATOM 0 HG1 THR B 26 -6.771 13.020 -1.528 1.00 0.00 H new ATOM 0 HG21 THR B 26 -7.537 12.780 0.720 1.00 0.00 H new ATOM 0 HG22 THR B 26 -9.220 13.250 1.056 1.00 0.00 H new ATOM 0 HG23 THR B 26 -8.878 11.779 0.114 1.00 0.00 H new ATOM 411 N PRO B 27 -10.201 11.902 -3.267 1.00 0.00 N ATOM 412 CA PRO B 27 -10.552 10.580 -3.788 1.00 0.00 C ATOM 413 C PRO B 27 -9.713 9.476 -3.156 1.00 0.00 C ATOM 414 O PRO B 27 -8.500 9.413 -3.357 1.00 0.00 O ATOM 415 CB PRO B 27 -10.259 10.675 -5.291 1.00 0.00 C ATOM 416 CG PRO B 27 -10.056 12.122 -5.583 1.00 0.00 C ATOM 417 CD PRO B 27 -9.606 12.759 -4.303 1.00 0.00 C ATOM 0 HA PRO B 27 -11.589 10.326 -3.567 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -9.373 10.097 -5.552 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -11.086 10.272 -5.875 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -9.310 12.258 -6.366 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -10.980 12.579 -5.939 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -8.519 12.784 -4.228 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -9.955 13.788 -4.222 1.00 0.00 H new ATOM 425 N GLU B 28 -10.367 8.605 -2.392 1.00 0.00 N ATOM 426 CA GLU B 28 -9.677 7.504 -1.729 1.00 0.00 C ATOM 427 C GLU B 28 -9.546 6.298 -2.651 1.00 0.00 C ATOM 428 O GLU B 28 -9.703 5.157 -2.218 1.00 0.00 O ATOM 429 CB GLU B 28 -10.411 7.099 -0.448 1.00 0.00 C ATOM 430 CG GLU B 28 -11.918 6.997 -0.611 1.00 0.00 C ATOM 431 CD GLU B 28 -12.607 6.498 0.644 1.00 0.00 C ATOM 432 OE1 GLU B 28 -12.843 7.317 1.558 1.00 0.00 O ATOM 433 OE2 GLU B 28 -12.910 5.289 0.714 1.00 0.00 O ATOM 0 H GLU B 28 -11.371 8.641 -2.217 1.00 0.00 H new ATOM 0 HA GLU B 28 -8.677 7.852 -1.472 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -10.026 6.138 -0.108 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -10.188 7.826 0.333 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -12.318 7.976 -0.876 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -12.146 6.325 -1.438 1.00 0.00 H new ATOM 440 N MET B 29 -9.262 6.553 -3.923 1.00 0.00 N ATOM 441 CA MET B 29 -9.098 5.477 -4.890 1.00 0.00 C ATOM 442 C MET B 29 -7.908 4.607 -4.510 1.00 0.00 C ATOM 443 O MET B 29 -6.761 4.942 -4.805 1.00 0.00 O ATOM 444 CB MET B 29 -8.907 6.045 -6.295 1.00 0.00 C ATOM 445 CG MET B 29 -10.178 6.627 -6.888 1.00 0.00 C ATOM 446 SD MET B 29 -11.514 5.418 -6.986 1.00 0.00 S ATOM 447 CE MET B 29 -12.794 6.391 -7.774 1.00 0.00 C ATOM 0 H MET B 29 -9.141 7.491 -4.306 1.00 0.00 H new ATOM 0 HA MET B 29 -10.000 4.865 -4.883 1.00 0.00 H new ATOM 0 HB2 MET B 29 -8.141 6.820 -6.265 1.00 0.00 H new ATOM 0 HB3 MET B 29 -8.537 5.257 -6.950 1.00 0.00 H new ATOM 0 HG2 MET B 29 -10.503 7.474 -6.283 1.00 0.00 H new ATOM 0 HG3 MET B 29 -9.966 7.011 -7.886 1.00 0.00 H new ATOM 0 HE1 MET B 29 -13.687 5.780 -7.904 1.00 0.00 H new ATOM 0 HE2 MET B 29 -13.031 7.253 -7.151 1.00 0.00 H new ATOM 0 HE3 MET B 29 -12.444 6.733 -8.748 1.00 0.00 H new ATOM 457 N ARG B 30 -8.191 3.488 -3.853 1.00 0.00 N ATOM 458 CA ARG B 30 -7.137 2.579 -3.417 1.00 0.00 C ATOM 459 C ARG B 30 -6.725 1.631 -4.536 1.00 0.00 C ATOM 460 O ARG B 30 -7.563 0.956 -5.136 1.00 0.00 O ATOM 461 CB ARG B 30 -7.574 1.774 -2.186 1.00 0.00 C ATOM 462 CG ARG B 30 -8.939 2.137 -1.643 1.00 0.00 C ATOM 463 CD ARG B 30 -9.082 1.700 -0.198 1.00 0.00 C ATOM 464 NE ARG B 30 -10.476 1.460 0.168 1.00 0.00 N ATOM 465 CZ ARG B 30 -10.858 1.007 1.359 1.00 0.00 C ATOM 466 NH1 ARG B 30 -9.955 0.748 2.295 1.00 0.00 N ATOM 467 NH2 ARG B 30 -12.145 0.814 1.614 1.00 0.00 N ATOM 0 H ARG B 30 -9.136 3.189 -3.611 1.00 0.00 H new ATOM 0 HA ARG B 30 -6.276 3.191 -3.147 1.00 0.00 H new ATOM 0 HB2 ARG B 30 -7.570 0.714 -2.442 1.00 0.00 H new ATOM 0 HB3 ARG B 30 -6.835 1.914 -1.397 1.00 0.00 H new ATOM 0 HG2 ARG B 30 -9.090 3.214 -1.718 1.00 0.00 H new ATOM 0 HG3 ARG B 30 -9.713 1.664 -2.248 1.00 0.00 H new ATOM 0 HD2 ARG B 30 -8.503 0.791 -0.036 1.00 0.00 H new ATOM 0 HD3 ARG B 30 -8.663 2.465 0.455 1.00 0.00 H new ATOM 0 HE ARG B 30 -11.196 1.650 -0.529 1.00 0.00 H new ATOM 0 HH11 ARG B 30 -8.964 0.896 2.103 1.00 0.00 H new ATOM 0 HH12 ARG B 30 -10.251 0.401 3.207 1.00 0.00 H new ATOM 0 HH21 ARG B 30 -12.842 1.013 0.897 1.00 0.00 H new ATOM 0 HH22 ARG B 30 -12.437 0.467 2.527 1.00 0.00 H new ATOM 481 N GLU B 31 -5.425 1.590 -4.810 1.00 0.00 N ATOM 482 CA GLU B 31 -4.885 0.724 -5.851 1.00 0.00 C ATOM 483 C GLU B 31 -4.552 -0.645 -5.284 1.00 0.00 C ATOM 484 O GLU B 31 -4.020 -0.751 -4.180 1.00 0.00 O ATOM 485 CB GLU B 31 -3.621 1.336 -6.455 1.00 0.00 C ATOM 486 CG GLU B 31 -3.700 2.843 -6.640 1.00 0.00 C ATOM 487 CD GLU B 31 -2.401 3.437 -7.150 1.00 0.00 C ATOM 488 OE1 GLU B 31 -2.214 3.484 -8.384 1.00 0.00 O ATOM 489 OE2 GLU B 31 -1.571 3.855 -6.316 1.00 0.00 O ATOM 0 H GLU B 31 -4.724 2.149 -4.323 1.00 0.00 H new ATOM 0 HA GLU B 31 -5.643 0.620 -6.627 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -2.772 1.102 -5.813 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -3.428 0.870 -7.421 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -4.502 3.078 -7.340 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -3.960 3.309 -5.689 1.00 0.00 H new ATOM 496 N LYS B 32 -4.869 -1.694 -6.032 1.00 0.00 N ATOM 497 CA LYS B 32 -4.569 -3.037 -5.594 1.00 0.00 C ATOM 498 C LYS B 32 -3.071 -3.258 -5.608 1.00 0.00 C ATOM 499 O LYS B 32 -2.462 -3.483 -6.654 1.00 0.00 O ATOM 500 CB LYS B 32 -5.254 -4.042 -6.481 1.00 0.00 C ATOM 501 CG LYS B 32 -6.732 -4.195 -6.180 1.00 0.00 C ATOM 502 CD LYS B 32 -7.242 -5.545 -6.634 1.00 0.00 C ATOM 503 CE LYS B 32 -8.758 -5.572 -6.727 1.00 0.00 C ATOM 504 NZ LYS B 32 -9.267 -6.919 -7.106 1.00 0.00 N ATOM 0 H LYS B 32 -5.331 -1.634 -6.939 1.00 0.00 H new ATOM 0 HA LYS B 32 -4.937 -3.168 -4.577 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -5.131 -3.742 -7.522 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -4.765 -5.010 -6.368 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -6.902 -4.079 -5.110 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -7.292 -3.404 -6.679 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -6.814 -5.787 -7.607 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -6.907 -6.313 -5.938 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -9.186 -5.279 -5.768 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -9.090 -4.839 -7.462 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -10.305 -6.896 -7.159 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -8.879 -7.189 -8.033 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -8.972 -7.615 -6.392 1.00 0.00 H new ATOM 518 N LEU B 33 -2.494 -3.189 -4.430 1.00 0.00 N ATOM 519 CA LEU B 33 -1.060 -3.348 -4.258 1.00 0.00 C ATOM 520 C LEU B 33 -0.721 -4.792 -3.918 1.00 0.00 C ATOM 521 O LEU B 33 -0.611 -5.163 -2.750 1.00 0.00 O ATOM 522 CB LEU B 33 -0.556 -2.391 -3.173 1.00 0.00 C ATOM 523 CG LEU B 33 -1.144 -0.975 -3.240 1.00 0.00 C ATOM 524 CD1 LEU B 33 -0.513 -0.074 -2.195 1.00 0.00 C ATOM 525 CD2 LEU B 33 -0.966 -0.384 -4.623 1.00 0.00 C ATOM 0 H LEU B 33 -3.002 -3.021 -3.561 1.00 0.00 H new ATOM 0 HA LEU B 33 -0.559 -3.101 -5.194 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -0.785 -2.818 -2.197 1.00 0.00 H new ATOM 0 HB3 LEU B 33 0.529 -2.322 -3.245 1.00 0.00 H new ATOM 0 HG LEU B 33 -2.211 -1.047 -3.030 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -0.947 0.923 -2.264 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -0.699 -0.483 -1.202 1.00 0.00 H new ATOM 0 HD13 LEU B 33 0.562 -0.014 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -1.390 0.620 -4.647 1.00 0.00 H new ATOM 0 HD22 LEU B 33 0.096 -0.335 -4.864 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -1.475 -1.011 -5.355 1.00 0.00 H new ATOM 537 N CYS B 34 -0.561 -5.600 -4.959 1.00 0.00 N ATOM 538 CA CYS B 34 -0.255 -7.017 -4.798 1.00 0.00 C ATOM 539 C CYS B 34 1.240 -7.285 -4.943 1.00 0.00 C ATOM 540 O CYS B 34 1.771 -7.320 -6.054 1.00 0.00 O ATOM 541 CB CYS B 34 -1.030 -7.835 -5.831 1.00 0.00 C ATOM 542 SG CYS B 34 -1.259 -9.584 -5.381 1.00 0.00 S ATOM 0 H CYS B 34 -0.639 -5.296 -5.930 1.00 0.00 H new ATOM 0 HA CYS B 34 -0.555 -7.314 -3.793 1.00 0.00 H new ATOM 0 HB2 CYS B 34 -2.009 -7.379 -5.979 1.00 0.00 H new ATOM 0 HB3 CYS B 34 -0.507 -7.783 -6.786 1.00 0.00 H new ATOM 547 N GLY B 35 1.913 -7.478 -3.812 1.00 0.00 N ATOM 548 CA GLY B 35 3.339 -7.753 -3.829 1.00 0.00 C ATOM 549 C GLY B 35 4.150 -6.644 -4.472 1.00 0.00 C ATOM 550 O GLY B 35 4.429 -5.625 -3.840 1.00 0.00 O ATOM 0 H GLY B 35 1.495 -7.449 -2.882 1.00 0.00 H new ATOM 0 HA2 GLY B 35 3.686 -7.904 -2.807 1.00 0.00 H new ATOM 0 HA3 GLY B 35 3.517 -8.684 -4.367 1.00 0.00 H new ATOM 554 N HIS B 36 4.531 -6.848 -5.730 1.00 0.00 N ATOM 555 CA HIS B 36 5.325 -5.867 -6.465 1.00 0.00 C ATOM 556 C HIS B 36 4.632 -4.507 -6.509 1.00 0.00 C ATOM 557 O HIS B 36 5.275 -3.474 -6.331 1.00 0.00 O ATOM 558 CB HIS B 36 5.596 -6.363 -7.883 1.00 0.00 C ATOM 559 CG HIS B 36 6.368 -5.393 -8.725 1.00 0.00 C ATOM 560 ND1 HIS B 36 6.003 -5.027 -10.002 1.00 0.00 N ATOM 561 CD2 HIS B 36 7.509 -4.711 -8.451 1.00 0.00 C ATOM 562 CE1 HIS B 36 6.914 -4.155 -10.455 1.00 0.00 C ATOM 563 NE2 HIS B 36 7.849 -3.928 -9.552 1.00 0.00 N ATOM 0 H HIS B 36 4.302 -7.687 -6.263 1.00 0.00 H new ATOM 0 HA HIS B 36 6.272 -5.745 -5.940 1.00 0.00 H new ATOM 0 HB2 HIS B 36 6.146 -7.303 -7.831 1.00 0.00 H new ATOM 0 HB3 HIS B 36 4.645 -6.577 -8.371 1.00 0.00 H new ATOM 0 HD2 HIS B 36 8.065 -4.766 -7.527 1.00 0.00 H new ATOM 0 HE1 HIS B 36 6.887 -3.697 -11.433 1.00 0.00 H new ATOM 0 HE2 HIS B 36 8.654 -3.308 -9.642 1.00 0.00 H new ATOM 571 N HIS B 37 3.323 -4.508 -6.752 1.00 0.00 N ATOM 572 CA HIS B 37 2.562 -3.263 -6.813 1.00 0.00 C ATOM 573 C HIS B 37 2.612 -2.538 -5.479 1.00 0.00 C ATOM 574 O HIS B 37 2.517 -1.312 -5.433 1.00 0.00 O ATOM 575 CB HIS B 37 1.109 -3.532 -7.206 1.00 0.00 C ATOM 576 CG HIS B 37 0.964 -4.290 -8.488 1.00 0.00 C ATOM 577 ND1 HIS B 37 0.491 -5.581 -8.568 1.00 0.00 N ATOM 578 CD2 HIS B 37 1.232 -3.911 -9.763 1.00 0.00 C ATOM 579 CE1 HIS B 37 0.490 -5.939 -9.860 1.00 0.00 C ATOM 580 NE2 HIS B 37 0.930 -4.959 -10.625 1.00 0.00 N ATOM 0 H HIS B 37 2.771 -5.351 -6.909 1.00 0.00 H new ATOM 0 HA HIS B 37 3.017 -2.630 -7.575 1.00 0.00 H new ATOM 0 HB2 HIS B 37 0.623 -4.091 -6.406 1.00 0.00 H new ATOM 0 HB3 HIS B 37 0.584 -2.581 -7.295 1.00 0.00 H new ATOM 0 HD2 HIS B 37 1.619 -2.948 -10.061 1.00 0.00 H new ATOM 0 HE1 HIS B 37 0.171 -6.904 -10.226 1.00 0.00 H new ATOM 0 HE2 HIS B 37 1.028 -4.968 -11.640 1.00 0.00 H new ATOM 588 N PHE B 38 2.749 -3.289 -4.389 1.00 0.00 N ATOM 589 CA PHE B 38 2.834 -2.670 -3.076 1.00 0.00 C ATOM 590 C PHE B 38 4.229 -2.112 -2.880 1.00 0.00 C ATOM 591 O PHE B 38 4.392 -0.981 -2.442 1.00 0.00 O ATOM 592 CB PHE B 38 2.477 -3.653 -1.956 1.00 0.00 C ATOM 593 CG PHE B 38 1.874 -2.994 -0.734 1.00 0.00 C ATOM 594 CD1 PHE B 38 1.862 -1.612 -0.595 1.00 0.00 C ATOM 595 CD2 PHE B 38 1.307 -3.759 0.275 1.00 0.00 C ATOM 596 CE1 PHE B 38 1.300 -1.016 0.511 1.00 0.00 C ATOM 597 CE2 PHE B 38 0.749 -3.166 1.381 1.00 0.00 C ATOM 598 CZ PHE B 38 0.743 -1.791 1.498 1.00 0.00 C ATOM 0 H PHE B 38 2.802 -4.308 -4.390 1.00 0.00 H new ATOM 0 HA PHE B 38 2.105 -1.861 -3.027 1.00 0.00 H new ATOM 0 HB2 PHE B 38 1.774 -4.391 -2.343 1.00 0.00 H new ATOM 0 HB3 PHE B 38 3.376 -4.194 -1.659 1.00 0.00 H new ATOM 0 HD1 PHE B 38 2.300 -0.996 -1.366 1.00 0.00 H new ATOM 0 HD2 PHE B 38 1.304 -4.836 0.190 1.00 0.00 H new ATOM 0 HE1 PHE B 38 1.297 0.060 0.602 1.00 0.00 H new ATOM 0 HE2 PHE B 38 0.315 -3.776 2.159 1.00 0.00 H new ATOM 0 HZ PHE B 38 0.300 -1.325 2.366 1.00 0.00 H new ATOM 608 N VAL B 39 5.233 -2.915 -3.215 1.00 0.00 N ATOM 609 CA VAL B 39 6.621 -2.483 -3.123 1.00 0.00 C ATOM 610 C VAL B 39 6.808 -1.250 -4.003 1.00 0.00 C ATOM 611 O VAL B 39 7.704 -0.433 -3.787 1.00 0.00 O ATOM 612 CB VAL B 39 7.572 -3.614 -3.576 1.00 0.00 C ATOM 613 CG1 VAL B 39 8.956 -3.085 -3.909 1.00 0.00 C ATOM 614 CG2 VAL B 39 7.656 -4.694 -2.508 1.00 0.00 C ATOM 0 H VAL B 39 5.110 -3.870 -3.553 1.00 0.00 H new ATOM 0 HA VAL B 39 6.860 -2.238 -2.088 1.00 0.00 H new ATOM 0 HB VAL B 39 7.160 -4.048 -4.487 1.00 0.00 H new ATOM 0 HG11 VAL B 39 9.595 -3.910 -4.223 1.00 0.00 H new ATOM 0 HG12 VAL B 39 8.882 -2.356 -4.716 1.00 0.00 H new ATOM 0 HG13 VAL B 39 9.385 -2.609 -3.027 1.00 0.00 H new ATOM 0 HG21 VAL B 39 8.329 -5.484 -2.841 1.00 0.00 H new ATOM 0 HG22 VAL B 39 8.034 -4.261 -1.582 1.00 0.00 H new ATOM 0 HG23 VAL B 39 6.664 -5.112 -2.334 1.00 0.00 H new ATOM 624 N ARG B 40 5.927 -1.136 -4.991 1.00 0.00 N ATOM 625 CA ARG B 40 5.923 -0.020 -5.922 1.00 0.00 C ATOM 626 C ARG B 40 5.284 1.195 -5.267 1.00 0.00 C ATOM 627 O ARG B 40 5.933 2.222 -5.061 1.00 0.00 O ATOM 628 CB ARG B 40 5.137 -0.410 -7.167 1.00 0.00 C ATOM 629 CG ARG B 40 5.972 -1.084 -8.239 1.00 0.00 C ATOM 630 CD ARG B 40 5.202 -1.183 -9.544 1.00 0.00 C ATOM 631 NE ARG B 40 4.909 0.133 -10.106 1.00 0.00 N ATOM 632 CZ ARG B 40 4.181 0.324 -11.202 1.00 0.00 C ATOM 633 NH1 ARG B 40 3.675 -0.711 -11.858 1.00 0.00 N ATOM 634 NH2 ARG B 40 3.957 1.555 -11.642 1.00 0.00 N ATOM 0 H ARG B 40 5.192 -1.821 -5.167 1.00 0.00 H new ATOM 0 HA ARG B 40 6.947 0.227 -6.201 1.00 0.00 H new ATOM 0 HB2 ARG B 40 4.327 -1.080 -6.878 1.00 0.00 H new ATOM 0 HB3 ARG B 40 4.677 0.484 -7.588 1.00 0.00 H new ATOM 0 HG2 ARG B 40 6.892 -0.521 -8.397 1.00 0.00 H new ATOM 0 HG3 ARG B 40 6.262 -2.081 -7.907 1.00 0.00 H new ATOM 0 HD2 ARG B 40 5.780 -1.764 -10.263 1.00 0.00 H new ATOM 0 HD3 ARG B 40 4.269 -1.721 -9.375 1.00 0.00 H new ATOM 0 HE ARG B 40 5.285 0.953 -9.630 1.00 0.00 H new ATOM 0 HH11 ARG B 40 3.843 -1.659 -11.522 1.00 0.00 H new ATOM 0 HH12 ARG B 40 3.117 -0.559 -12.698 1.00 0.00 H new ATOM 0 HH21 ARG B 40 4.343 2.354 -11.140 1.00 0.00 H new ATOM 0 HH22 ARG B 40 3.399 1.702 -12.483 1.00 0.00 H new ATOM 648 N ALA B 41 3.998 1.070 -4.947 1.00 0.00 N ATOM 649 CA ALA B 41 3.275 2.145 -4.288 1.00 0.00 C ATOM 650 C ALA B 41 4.096 2.650 -3.115 1.00 0.00 C ATOM 651 O ALA B 41 4.090 3.837 -2.789 1.00 0.00 O ATOM 652 CB ALA B 41 1.906 1.661 -3.831 1.00 0.00 C ATOM 0 H ALA B 41 3.440 0.237 -5.134 1.00 0.00 H new ATOM 0 HA ALA B 41 3.118 2.965 -4.989 1.00 0.00 H new ATOM 0 HB1 ALA B 41 1.377 2.477 -3.339 1.00 0.00 H new ATOM 0 HB2 ALA B 41 1.332 1.325 -4.694 1.00 0.00 H new ATOM 0 HB3 ALA B 41 2.027 0.834 -3.131 1.00 0.00 H new ATOM 658 N LEU B 42 4.823 1.723 -2.505 1.00 0.00 N ATOM 659 CA LEU B 42 5.684 2.022 -1.385 1.00 0.00 C ATOM 660 C LEU B 42 6.763 3.016 -1.802 1.00 0.00 C ATOM 661 O LEU B 42 6.913 4.080 -1.206 1.00 0.00 O ATOM 662 CB LEU B 42 6.341 0.720 -0.918 1.00 0.00 C ATOM 663 CG LEU B 42 5.954 0.193 0.450 1.00 0.00 C ATOM 664 CD1 LEU B 42 5.989 1.293 1.475 1.00 0.00 C ATOM 665 CD2 LEU B 42 4.594 -0.424 0.415 1.00 0.00 C ATOM 0 H LEU B 42 4.827 0.741 -2.780 1.00 0.00 H new ATOM 0 HA LEU B 42 5.098 2.462 -0.578 1.00 0.00 H new ATOM 0 HB2 LEU B 42 6.115 -0.053 -1.653 1.00 0.00 H new ATOM 0 HB3 LEU B 42 7.421 0.865 -0.929 1.00 0.00 H new ATOM 0 HG LEU B 42 6.679 -0.571 0.730 1.00 0.00 H new ATOM 0 HD11 LEU B 42 5.708 0.892 2.449 1.00 0.00 H new ATOM 0 HD12 LEU B 42 6.996 1.707 1.530 1.00 0.00 H new ATOM 0 HD13 LEU B 42 5.289 2.078 1.190 1.00 0.00 H new ATOM 0 HD21 LEU B 42 4.337 -0.795 1.407 1.00 0.00 H new ATOM 0 HD22 LEU B 42 3.863 0.324 0.107 1.00 0.00 H new ATOM 0 HD23 LEU B 42 4.588 -1.251 -0.295 1.00 0.00 H new ATOM 677 N VAL B 43 7.516 2.647 -2.835 1.00 0.00 N ATOM 678 CA VAL B 43 8.585 3.479 -3.358 1.00 0.00 C ATOM 679 C VAL B 43 8.084 4.878 -3.722 1.00 0.00 C ATOM 680 O VAL B 43 8.869 5.820 -3.831 1.00 0.00 O ATOM 681 CB VAL B 43 9.219 2.806 -4.590 1.00 0.00 C ATOM 682 CG1 VAL B 43 8.495 3.184 -5.867 1.00 0.00 C ATOM 683 CG2 VAL B 43 10.690 3.141 -4.684 1.00 0.00 C ATOM 0 H VAL B 43 7.399 1.763 -3.330 1.00 0.00 H new ATOM 0 HA VAL B 43 9.337 3.589 -2.577 1.00 0.00 H new ATOM 0 HB VAL B 43 9.119 1.728 -4.466 1.00 0.00 H new ATOM 0 HG11 VAL B 43 8.970 2.690 -6.715 1.00 0.00 H new ATOM 0 HG12 VAL B 43 7.453 2.869 -5.801 1.00 0.00 H new ATOM 0 HG13 VAL B 43 8.540 4.264 -6.004 1.00 0.00 H new ATOM 0 HG21 VAL B 43 11.118 2.656 -5.561 1.00 0.00 H new ATOM 0 HG22 VAL B 43 10.812 4.221 -4.771 1.00 0.00 H new ATOM 0 HG23 VAL B 43 11.201 2.789 -3.788 1.00 0.00 H new ATOM 693 N ARG B 44 6.774 4.999 -3.907 1.00 0.00 N ATOM 694 CA ARG B 44 6.158 6.273 -4.270 1.00 0.00 C ATOM 695 C ARG B 44 6.026 7.219 -3.076 1.00 0.00 C ATOM 696 O ARG B 44 6.561 8.328 -3.091 1.00 0.00 O ATOM 697 CB ARG B 44 4.784 6.026 -4.873 1.00 0.00 C ATOM 698 CG ARG B 44 4.082 7.293 -5.333 1.00 0.00 C ATOM 699 CD ARG B 44 2.696 6.994 -5.882 1.00 0.00 C ATOM 700 NE ARG B 44 2.015 8.202 -6.340 1.00 0.00 N ATOM 701 CZ ARG B 44 0.798 8.203 -6.877 1.00 0.00 C ATOM 702 NH1 ARG B 44 0.132 7.065 -7.024 1.00 0.00 N ATOM 703 NH2 ARG B 44 0.246 9.345 -7.267 1.00 0.00 N ATOM 0 H ARG B 44 6.114 4.227 -3.811 1.00 0.00 H new ATOM 0 HA ARG B 44 6.812 6.752 -4.999 1.00 0.00 H new ATOM 0 HB2 ARG B 44 4.886 5.349 -5.721 1.00 0.00 H new ATOM 0 HB3 ARG B 44 4.159 5.522 -4.136 1.00 0.00 H new ATOM 0 HG2 ARG B 44 4.001 7.989 -4.498 1.00 0.00 H new ATOM 0 HG3 ARG B 44 4.681 7.784 -6.101 1.00 0.00 H new ATOM 0 HD2 ARG B 44 2.778 6.289 -6.709 1.00 0.00 H new ATOM 0 HD3 ARG B 44 2.097 6.511 -5.110 1.00 0.00 H new ATOM 0 HE ARG B 44 2.499 9.094 -6.243 1.00 0.00 H new ATOM 0 HH11 ARG B 44 0.553 6.185 -6.725 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -0.801 7.070 -7.436 1.00 0.00 H new ATOM 0 HH21 ARG B 44 0.755 10.222 -7.155 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -0.687 9.346 -7.679 1.00 0.00 H new ATOM 717 N VAL B 45 5.311 6.777 -2.046 1.00 0.00 N ATOM 718 CA VAL B 45 5.079 7.604 -0.860 1.00 0.00 C ATOM 719 C VAL B 45 6.109 7.334 0.233 1.00 0.00 C ATOM 720 O VAL B 45 6.603 8.261 0.876 1.00 0.00 O ATOM 721 CB VAL B 45 3.644 7.399 -0.296 1.00 0.00 C ATOM 722 CG1 VAL B 45 2.804 6.573 -1.251 1.00 0.00 C ATOM 723 CG2 VAL B 45 3.649 6.746 1.083 1.00 0.00 C ATOM 0 H VAL B 45 4.882 5.853 -2.006 1.00 0.00 H new ATOM 0 HA VAL B 45 5.185 8.641 -1.179 1.00 0.00 H new ATOM 0 HB VAL B 45 3.205 8.391 -0.192 1.00 0.00 H new ATOM 0 HG11 VAL B 45 1.804 6.442 -0.836 1.00 0.00 H new ATOM 0 HG12 VAL B 45 2.735 7.085 -2.211 1.00 0.00 H new ATOM 0 HG13 VAL B 45 3.268 5.597 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL B 45 2.623 6.625 1.432 1.00 0.00 H new ATOM 0 HG22 VAL B 45 4.129 5.769 1.021 1.00 0.00 H new ATOM 0 HG23 VAL B 45 4.198 7.377 1.782 1.00 0.00 H new ATOM 733 N CYS B 46 6.426 6.065 0.439 1.00 0.00 N ATOM 734 CA CYS B 46 7.383 5.676 1.463 1.00 0.00 C ATOM 735 C CYS B 46 8.706 5.215 0.857 1.00 0.00 C ATOM 736 O CYS B 46 9.075 4.044 0.966 1.00 0.00 O ATOM 737 CB CYS B 46 6.792 4.565 2.328 1.00 0.00 C ATOM 738 SG CYS B 46 5.527 5.124 3.516 1.00 0.00 S ATOM 0 H CYS B 46 6.034 5.286 -0.090 1.00 0.00 H new ATOM 0 HA CYS B 46 7.588 6.552 2.078 1.00 0.00 H new ATOM 0 HB2 CYS B 46 6.352 3.810 1.677 1.00 0.00 H new ATOM 0 HB3 CYS B 46 7.600 4.081 2.877 1.00 0.00 H new ATOM 743 N GLY B 47 9.411 6.140 0.212 1.00 0.00 N ATOM 744 CA GLY B 47 10.693 5.812 -0.388 1.00 0.00 C ATOM 745 C GLY B 47 11.638 5.146 0.596 1.00 0.00 C ATOM 746 O GLY B 47 11.841 5.642 1.703 1.00 0.00 O ATOM 0 H GLY B 47 9.118 7.110 0.094 1.00 0.00 H new ATOM 0 HA2 GLY B 47 10.534 5.151 -1.240 1.00 0.00 H new ATOM 0 HA3 GLY B 47 11.155 6.721 -0.772 1.00 0.00 H new ATOM 750 N GLY B 48 12.218 4.020 0.187 1.00 0.00 N ATOM 751 CA GLY B 48 13.133 3.295 1.053 1.00 0.00 C ATOM 752 C GLY B 48 14.406 2.879 0.339 1.00 0.00 C ATOM 753 O GLY B 48 14.500 2.998 -0.883 1.00 0.00 O ATOM 0 H GLY B 48 12.071 3.597 -0.729 1.00 0.00 H new ATOM 0 HA2 GLY B 48 13.388 3.919 1.909 1.00 0.00 H new ATOM 0 HA3 GLY B 48 12.633 2.408 1.443 1.00 0.00 H new ATOM 757 N PRO B 49 15.407 2.383 1.085 1.00 0.00 N ATOM 758 CA PRO B 49 16.683 1.948 0.524 1.00 0.00 C ATOM 759 C PRO B 49 16.605 0.539 -0.057 1.00 0.00 C ATOM 760 O PRO B 49 17.529 0.082 -0.730 1.00 0.00 O ATOM 761 CB PRO B 49 17.639 1.979 1.732 1.00 0.00 C ATOM 762 CG PRO B 49 16.823 2.461 2.895 1.00 0.00 C ATOM 763 CD PRO B 49 15.389 2.210 2.536 1.00 0.00 C ATOM 0 HA PRO B 49 17.003 2.583 -0.302 1.00 0.00 H new ATOM 0 HB2 PRO B 49 18.051 0.989 1.928 1.00 0.00 H new ATOM 0 HB3 PRO B 49 18.482 2.644 1.545 1.00 0.00 H new ATOM 0 HG2 PRO B 49 17.094 1.929 3.807 1.00 0.00 H new ATOM 0 HG3 PRO B 49 16.998 3.521 3.080 1.00 0.00 H new ATOM 0 HD2 PRO B 49 15.065 1.210 2.824 1.00 0.00 H new ATOM 0 HD3 PRO B 49 14.716 2.916 3.023 1.00 0.00 H new ATOM 771 N LYS B 50 15.495 -0.145 0.211 1.00 0.00 N ATOM 772 CA LYS B 50 15.292 -1.502 -0.285 1.00 0.00 C ATOM 773 C LYS B 50 14.740 -1.481 -1.707 1.00 0.00 C ATOM 774 O LYS B 50 15.425 -1.867 -2.655 1.00 0.00 O ATOM 775 CB LYS B 50 14.338 -2.275 0.632 1.00 0.00 C ATOM 776 CG LYS B 50 14.952 -2.681 1.965 1.00 0.00 C ATOM 777 CD LYS B 50 15.190 -1.483 2.873 1.00 0.00 C ATOM 778 CE LYS B 50 13.882 -0.848 3.324 1.00 0.00 C ATOM 779 NZ LYS B 50 13.152 -1.686 4.274 1.00 0.00 N ATOM 0 H LYS B 50 14.723 0.219 0.769 1.00 0.00 H new ATOM 0 HA LYS B 50 16.259 -2.005 -0.292 1.00 0.00 H new ATOM 0 HB2 LYS B 50 13.457 -1.662 0.821 1.00 0.00 H new ATOM 0 HB3 LYS B 50 13.998 -3.171 0.113 1.00 0.00 H new ATOM 0 HG2 LYS B 50 14.293 -3.390 2.466 1.00 0.00 H new ATOM 0 HG3 LYS B 50 15.897 -3.194 1.787 1.00 0.00 H new ATOM 0 HD2 LYS B 50 15.762 -1.797 3.746 1.00 0.00 H new ATOM 0 HD3 LYS B 50 15.792 -0.742 2.347 1.00 0.00 H new ATOM 0 HE2 LYS B 50 14.090 0.119 3.782 1.00 0.00 H new ATOM 0 HE3 LYS B 50 13.254 -0.659 2.453 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 12.263 -2.008 3.841 1.00 0.00 H new ATOM 791 N TRP B 51 13.499 -1.028 -1.847 1.00 0.00 N ATOM 792 CA TRP B 51 12.853 -0.955 -3.155 1.00 0.00 C ATOM 793 C TRP B 51 13.494 0.122 -4.025 1.00 0.00 C ATOM 794 O TRP B 51 14.406 -0.220 -4.808 1.00 0.00 O ATOM 795 CB TRP B 51 11.350 -0.695 -3.001 1.00 0.00 C ATOM 796 CG TRP B 51 10.992 0.106 -1.787 1.00 0.00 C ATOM 797 CD1 TRP B 51 11.332 1.400 -1.517 1.00 0.00 C ATOM 798 CD2 TRP B 51 10.219 -0.343 -0.671 1.00 0.00 C ATOM 799 NE1 TRP B 51 10.819 1.778 -0.302 1.00 0.00 N ATOM 800 CE2 TRP B 51 10.135 0.724 0.238 1.00 0.00 C ATOM 801 CE3 TRP B 51 9.594 -1.546 -0.353 1.00 0.00 C ATOM 802 CZ2 TRP B 51 9.451 0.623 1.443 1.00 0.00 C ATOM 803 CZ3 TRP B 51 8.913 -1.649 0.845 1.00 0.00 C ATOM 804 CH2 TRP B 51 8.849 -0.568 1.732 1.00 0.00 C ATOM 805 OXT TRP B 51 13.085 1.296 -3.918 1.00 0.00 O ATOM 0 H TRP B 51 12.919 -0.706 -1.072 1.00 0.00 H new ATOM 0 HA TRP B 51 12.990 -1.916 -3.651 1.00 0.00 H new ATOM 0 HB2 TRP B 51 10.989 -0.173 -3.887 1.00 0.00 H new ATOM 0 HB3 TRP B 51 10.829 -1.651 -2.960 1.00 0.00 H new ATOM 0 HD1 TRP B 51 11.919 2.034 -2.165 1.00 0.00 H new ATOM 0 HE1 TRP B 51 10.930 2.696 0.129 1.00 0.00 H new ATOM 0 HE3 TRP B 51 9.641 -2.385 -1.032 1.00 0.00 H new ATOM 0 HZ2 TRP B 51 9.397 1.457 2.127 1.00 0.00 H new ATOM 0 HZ3 TRP B 51 8.423 -2.577 1.101 1.00 0.00 H new ATOM 0 HH2 TRP B 51 8.313 -0.678 2.663 1.00 0.00 H new TER 816 TRP B 51