USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 437 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 141 HIS HD1 : A 141 HIS ND1 : A 191 ZNZN :(H bumps) USER MOD Set 1.1: A 119 LYS NZ :NH3+ -144:sc= 1.08 (180deg=-0.00986) USER MOD Set 1.2: A 126 SER OG : rot 180:sc= -0.0439 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl 163:sc= -0.0948 (180deg=-0.546) USER MOD Single : A 138 LYS NZ :NH3+ 170:sc= -0.0119 (180deg=-0.175) USER MOD Single : A 142 LYS NZ :NH3+ 157:sc= 1.27 (180deg=0.49) USER MOD Single : A 143 THR OG1 : rot 66:sc= 0.593 USER MOD Single : A 152 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00962) USER MOD Single : A 153 SER OG : rot 180:sc= 0.0356 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 158 ASN : amide:sc= -1.38 K(o=-1.4,f=-5.4!) USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : A 167 TYR OH : rot 35:sc= 1.28 USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 ASN : amide:sc= 0.0131 K(o=0.013,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 119 12.479 2.980 0.378 1.00 0.89 N ATOM 2 CA LYS A 119 13.040 1.778 -0.221 1.00 0.80 C ATOM 3 C LYS A 119 12.036 0.637 -0.170 1.00 0.78 C ATOM 4 O LYS A 119 11.232 0.561 0.757 1.00 0.90 O ATOM 5 CB LYS A 119 14.298 1.362 0.534 1.00 0.93 C ATOM 6 CG LYS A 119 15.404 2.393 0.466 1.00 1.51 C ATOM 7 CD LYS A 119 16.570 2.027 1.354 1.00 1.54 C ATOM 8 CE LYS A 119 17.303 0.785 0.867 1.00 2.16 C ATOM 9 NZ LYS A 119 18.122 1.066 -0.340 1.00 2.76 N ATOM 0 HA LYS A 119 13.284 1.996 -1.261 1.00 0.80 H new ATOM 0 HB2 LYS A 119 14.044 1.180 1.578 1.00 0.93 H new ATOM 0 HB3 LYS A 119 14.663 0.420 0.126 1.00 0.93 H new ATOM 0 HG2 LYS A 119 15.748 2.489 -0.564 1.00 1.51 H new ATOM 0 HG3 LYS A 119 15.012 3.366 0.763 1.00 1.51 H new ATOM 0 HD2 LYS A 119 17.267 2.864 1.397 1.00 1.54 H new ATOM 0 HD3 LYS A 119 16.211 1.859 2.369 1.00 1.54 H new ATOM 0 HE2 LYS A 119 17.945 0.407 1.662 1.00 2.16 H new ATOM 0 HE3 LYS A 119 16.580 0.001 0.641 1.00 2.16 H new ATOM 0 HZ1 LYS A 119 18.101 0.241 -0.974 1.00 2.76 H new ATOM 0 HZ2 LYS A 119 17.736 1.894 -0.837 1.00 2.76 H new ATOM 0 HZ3 LYS A 119 19.104 1.259 -0.056 1.00 2.76 H new ATOM 23 N CYS A 120 12.087 -0.238 -1.168 1.00 0.70 N ATOM 24 CA CYS A 120 11.342 -1.486 -1.136 1.00 0.72 C ATOM 25 C CYS A 120 12.046 -2.439 -0.183 1.00 0.76 C ATOM 26 O CYS A 120 13.116 -2.954 -0.505 1.00 0.80 O ATOM 27 CB CYS A 120 11.260 -2.100 -2.545 1.00 0.67 C ATOM 28 SG CYS A 120 10.444 -3.735 -2.629 1.00 0.74 S ATOM 0 H CYS A 120 12.641 -0.102 -2.014 1.00 0.70 H new ATOM 0 HA CYS A 120 10.324 -1.301 -0.793 1.00 0.72 H new ATOM 0 HB2 CYS A 120 10.724 -1.409 -3.195 1.00 0.67 H new ATOM 0 HB3 CYS A 120 12.270 -2.194 -2.944 1.00 0.67 H new ATOM 33 N PRO A 121 11.462 -2.688 1.000 1.00 0.79 N ATOM 34 CA PRO A 121 12.100 -3.497 2.045 1.00 0.87 C ATOM 35 C PRO A 121 12.164 -4.975 1.680 1.00 0.90 C ATOM 36 O PRO A 121 12.822 -5.767 2.353 1.00 1.00 O ATOM 37 CB PRO A 121 11.194 -3.287 3.260 1.00 0.96 C ATOM 38 CG PRO A 121 9.860 -2.961 2.684 1.00 1.00 C ATOM 39 CD PRO A 121 10.128 -2.212 1.407 1.00 0.82 C ATOM 0 HA PRO A 121 13.136 -3.201 2.211 1.00 0.87 H new ATOM 0 HB2 PRO A 121 11.150 -4.182 3.880 1.00 0.96 H new ATOM 0 HB3 PRO A 121 11.561 -2.479 3.893 1.00 0.96 H new ATOM 0 HG2 PRO A 121 9.287 -3.868 2.491 1.00 1.00 H new ATOM 0 HG3 PRO A 121 9.275 -2.355 3.376 1.00 1.00 H new ATOM 0 HD2 PRO A 121 9.376 -2.430 0.649 1.00 0.82 H new ATOM 0 HD3 PRO A 121 10.118 -1.134 1.565 1.00 0.82 H new ATOM 47 N ARG A 122 11.483 -5.339 0.601 1.00 0.86 N ATOM 48 CA ARG A 122 11.444 -6.723 0.158 1.00 0.94 C ATOM 49 C ARG A 122 12.676 -7.026 -0.678 1.00 0.90 C ATOM 50 O ARG A 122 13.276 -8.091 -0.556 1.00 1.05 O ATOM 51 CB ARG A 122 10.176 -6.987 -0.664 1.00 0.98 C ATOM 52 CG ARG A 122 8.893 -6.556 0.028 1.00 0.97 C ATOM 53 CD ARG A 122 8.666 -7.311 1.333 1.00 1.11 C ATOM 54 NE ARG A 122 8.374 -8.727 1.117 1.00 1.54 N ATOM 55 CZ ARG A 122 7.891 -9.538 2.054 1.00 1.95 C ATOM 56 NH1 ARG A 122 7.672 -9.084 3.285 1.00 2.03 N ATOM 57 NH2 ARG A 122 7.636 -10.807 1.763 1.00 2.82 N ATOM 0 H ARG A 122 10.951 -4.694 0.018 1.00 0.86 H new ATOM 0 HA ARG A 122 11.432 -7.373 1.033 1.00 0.94 H new ATOM 0 HB2 ARG A 122 10.257 -6.464 -1.617 1.00 0.98 H new ATOM 0 HB3 ARG A 122 10.116 -8.052 -0.889 1.00 0.98 H new ATOM 0 HG2 ARG A 122 8.932 -5.486 0.231 1.00 0.97 H new ATOM 0 HG3 ARG A 122 8.047 -6.723 -0.639 1.00 0.97 H new ATOM 0 HD2 ARG A 122 9.552 -7.218 1.962 1.00 1.11 H new ATOM 0 HD3 ARG A 122 7.840 -6.852 1.876 1.00 1.11 H new ATOM 0 HE ARG A 122 8.551 -9.117 0.191 1.00 1.54 H new ATOM 0 HH11 ARG A 122 7.875 -8.111 3.513 1.00 2.03 H new ATOM 0 HH12 ARG A 122 7.301 -9.709 4.001 1.00 2.03 H new ATOM 0 HH21 ARG A 122 7.810 -11.159 0.822 1.00 2.82 H new ATOM 0 HH22 ARG A 122 7.266 -11.430 2.480 1.00 2.82 H new ATOM 71 N CYS A 123 13.055 -6.066 -1.509 1.00 0.76 N ATOM 72 CA CYS A 123 14.216 -6.215 -2.372 1.00 0.78 C ATOM 73 C CYS A 123 15.434 -5.518 -1.780 1.00 0.76 C ATOM 74 O CYS A 123 16.577 -5.851 -2.102 1.00 0.86 O ATOM 75 CB CYS A 123 13.910 -5.633 -3.749 1.00 0.77 C ATOM 76 SG CYS A 123 12.427 -6.338 -4.531 1.00 0.88 S ATOM 0 H CYS A 123 12.573 -5.172 -1.603 1.00 0.76 H new ATOM 0 HA CYS A 123 14.441 -7.278 -2.462 1.00 0.78 H new ATOM 0 HB2 CYS A 123 13.783 -4.554 -3.657 1.00 0.77 H new ATOM 0 HB3 CYS A 123 14.767 -5.799 -4.402 1.00 0.77 H new ATOM 81 N GLY A 124 15.174 -4.547 -0.915 1.00 0.70 N ATOM 82 CA GLY A 124 16.234 -3.731 -0.364 1.00 0.73 C ATOM 83 C GLY A 124 16.693 -2.684 -1.358 1.00 0.71 C ATOM 84 O GLY A 124 17.849 -2.269 -1.354 1.00 0.85 O ATOM 0 H GLY A 124 14.239 -4.310 -0.584 1.00 0.70 H new ATOM 0 HA2 GLY A 124 15.885 -3.244 0.546 1.00 0.73 H new ATOM 0 HA3 GLY A 124 17.076 -4.364 -0.084 1.00 0.73 H new ATOM 88 N LYS A 125 15.770 -2.246 -2.199 1.00 0.61 N ATOM 89 CA LYS A 125 16.090 -1.334 -3.292 1.00 0.61 C ATOM 90 C LYS A 125 15.279 -0.049 -3.179 1.00 0.57 C ATOM 91 O LYS A 125 14.059 -0.088 -3.062 1.00 0.60 O ATOM 92 CB LYS A 125 15.812 -2.019 -4.634 1.00 0.63 C ATOM 93 CG LYS A 125 16.092 -1.148 -5.849 1.00 1.30 C ATOM 94 CD LYS A 125 17.563 -0.784 -5.957 1.00 1.71 C ATOM 95 CE LYS A 125 17.844 0.027 -7.212 1.00 2.44 C ATOM 96 NZ LYS A 125 19.279 0.406 -7.327 1.00 2.99 N ATOM 0 H LYS A 125 14.786 -2.508 -2.147 1.00 0.61 H new ATOM 0 HA LYS A 125 17.147 -1.075 -3.232 1.00 0.61 H new ATOM 0 HB2 LYS A 125 16.419 -2.922 -4.701 1.00 0.63 H new ATOM 0 HB3 LYS A 125 14.769 -2.334 -4.659 1.00 0.63 H new ATOM 0 HG2 LYS A 125 15.781 -1.673 -6.752 1.00 1.30 H new ATOM 0 HG3 LYS A 125 15.496 -0.237 -5.788 1.00 1.30 H new ATOM 0 HD2 LYS A 125 17.863 -0.213 -5.078 1.00 1.71 H new ATOM 0 HD3 LYS A 125 18.164 -1.693 -5.967 1.00 1.71 H new ATOM 0 HE2 LYS A 125 17.551 -0.550 -8.089 1.00 2.44 H new ATOM 0 HE3 LYS A 125 17.231 0.928 -7.205 1.00 2.44 H new ATOM 0 HZ1 LYS A 125 19.424 0.957 -8.197 1.00 2.99 H new ATOM 0 HZ2 LYS A 125 19.554 0.979 -6.504 1.00 2.99 H new ATOM 0 HZ3 LYS A 125 19.863 -0.454 -7.361 1.00 2.99 H new ATOM 110 N SER A 126 15.969 1.082 -3.213 1.00 0.66 N ATOM 111 CA SER A 126 15.327 2.385 -3.099 1.00 0.68 C ATOM 112 C SER A 126 14.374 2.645 -4.265 1.00 0.57 C ATOM 113 O SER A 126 14.683 2.338 -5.421 1.00 0.66 O ATOM 114 CB SER A 126 16.393 3.475 -3.039 1.00 0.89 C ATOM 115 OG SER A 126 17.298 3.230 -1.976 1.00 1.37 O ATOM 0 H SER A 126 16.983 1.124 -3.320 1.00 0.66 H new ATOM 0 HA SER A 126 14.737 2.396 -2.182 1.00 0.68 H new ATOM 0 HB2 SER A 126 16.935 3.513 -3.984 1.00 0.89 H new ATOM 0 HB3 SER A 126 15.919 4.447 -2.904 1.00 0.89 H new ATOM 0 HG SER A 126 17.976 3.938 -1.954 1.00 1.37 H new ATOM 121 N VAL A 127 13.215 3.210 -3.953 1.00 0.52 N ATOM 122 CA VAL A 127 12.209 3.523 -4.958 1.00 0.45 C ATOM 123 C VAL A 127 11.848 5.000 -4.873 1.00 0.58 C ATOM 124 O VAL A 127 11.825 5.569 -3.784 1.00 0.80 O ATOM 125 CB VAL A 127 10.930 2.675 -4.768 1.00 0.50 C ATOM 126 CG1 VAL A 127 9.949 2.909 -5.906 1.00 0.63 C ATOM 127 CG2 VAL A 127 11.271 1.198 -4.656 1.00 0.71 C ATOM 0 H VAL A 127 12.947 3.463 -3.002 1.00 0.52 H new ATOM 0 HA VAL A 127 12.629 3.290 -5.936 1.00 0.45 H new ATOM 0 HB VAL A 127 10.456 2.989 -3.838 1.00 0.50 H new ATOM 0 HG11 VAL A 127 9.058 2.301 -5.749 1.00 0.63 H new ATOM 0 HG12 VAL A 127 9.669 3.962 -5.935 1.00 0.63 H new ATOM 0 HG13 VAL A 127 10.415 2.632 -6.851 1.00 0.63 H new ATOM 0 HG21 VAL A 127 10.355 0.622 -4.523 1.00 0.71 H new ATOM 0 HG22 VAL A 127 11.776 0.871 -5.565 1.00 0.71 H new ATOM 0 HG23 VAL A 127 11.927 1.040 -3.800 1.00 0.71 H new ATOM 137 N TYR A 128 11.587 5.628 -6.011 1.00 0.60 N ATOM 138 CA TYR A 128 11.188 7.025 -6.011 1.00 0.78 C ATOM 139 C TYR A 128 9.921 7.228 -6.839 1.00 0.58 C ATOM 140 O TYR A 128 9.305 6.256 -7.266 1.00 0.48 O ATOM 141 CB TYR A 128 12.322 7.922 -6.508 1.00 1.14 C ATOM 142 CG TYR A 128 12.403 9.219 -5.739 1.00 2.06 C ATOM 143 CD1 TYR A 128 12.920 9.242 -4.451 1.00 2.80 C ATOM 144 CD2 TYR A 128 11.948 10.410 -6.284 1.00 2.76 C ATOM 145 CE1 TYR A 128 12.984 10.414 -3.729 1.00 3.75 C ATOM 146 CE2 TYR A 128 12.010 11.589 -5.569 1.00 3.69 C ATOM 147 CZ TYR A 128 12.528 11.586 -4.290 1.00 4.06 C ATOM 148 OH TYR A 128 12.597 12.760 -3.572 1.00 5.08 O ATOM 0 H TYR A 128 11.644 5.198 -6.934 1.00 0.60 H new ATOM 0 HA TYR A 128 10.967 7.312 -4.983 1.00 0.78 H new ATOM 0 HB2 TYR A 128 13.269 7.390 -6.420 1.00 1.14 H new ATOM 0 HB3 TYR A 128 12.175 8.138 -7.566 1.00 1.14 H new ATOM 0 HD1 TYR A 128 13.278 8.325 -4.007 1.00 2.80 H new ATOM 0 HD2 TYR A 128 11.539 10.415 -7.283 1.00 2.76 H new ATOM 0 HE1 TYR A 128 13.390 10.413 -2.728 1.00 3.75 H new ATOM 0 HE2 TYR A 128 11.655 12.509 -6.008 1.00 3.69 H new ATOM 0 HH TYR A 128 12.236 13.495 -4.111 1.00 5.08 H new ATOM 158 N ALA A 129 9.574 8.497 -7.081 1.00 0.69 N ATOM 159 CA ALA A 129 8.269 8.905 -7.626 1.00 0.74 C ATOM 160 C ALA A 129 7.789 8.062 -8.811 1.00 0.75 C ATOM 161 O ALA A 129 6.591 7.807 -8.930 1.00 0.87 O ATOM 162 CB ALA A 129 8.314 10.372 -8.021 1.00 0.95 C ATOM 0 H ALA A 129 10.199 9.283 -6.902 1.00 0.69 H new ATOM 0 HA ALA A 129 7.544 8.740 -6.829 1.00 0.74 H new ATOM 0 HB1 ALA A 129 7.346 10.670 -8.424 1.00 0.95 H new ATOM 0 HB2 ALA A 129 8.544 10.978 -7.145 1.00 0.95 H new ATOM 0 HB3 ALA A 129 9.084 10.522 -8.778 1.00 0.95 H new ATOM 168 N ALA A 130 8.707 7.636 -9.675 1.00 0.80 N ATOM 169 CA ALA A 130 8.346 6.870 -10.871 1.00 1.00 C ATOM 170 C ALA A 130 7.522 5.627 -10.527 1.00 0.91 C ATOM 171 O ALA A 130 6.471 5.385 -11.127 1.00 1.16 O ATOM 172 CB ALA A 130 9.598 6.474 -11.636 1.00 1.21 C ATOM 0 H ALA A 130 9.707 7.807 -9.572 1.00 0.80 H new ATOM 0 HA ALA A 130 7.726 7.511 -11.498 1.00 1.00 H new ATOM 0 HB1 ALA A 130 9.318 5.905 -12.523 1.00 1.21 H new ATOM 0 HB2 ALA A 130 10.140 7.371 -11.936 1.00 1.21 H new ATOM 0 HB3 ALA A 130 10.235 5.861 -10.998 1.00 1.21 H new ATOM 178 N GLU A 131 7.997 4.848 -9.563 1.00 0.68 N ATOM 179 CA GLU A 131 7.303 3.636 -9.130 1.00 0.65 C ATOM 180 C GLU A 131 6.815 3.791 -7.698 1.00 0.46 C ATOM 181 O GLU A 131 6.478 2.813 -7.040 1.00 0.50 O ATOM 182 CB GLU A 131 8.232 2.422 -9.224 1.00 0.87 C ATOM 183 CG GLU A 131 8.436 1.910 -10.638 1.00 1.41 C ATOM 184 CD GLU A 131 7.182 1.283 -11.209 1.00 1.70 C ATOM 185 OE1 GLU A 131 6.368 2.017 -11.810 1.00 2.44 O ATOM 186 OE2 GLU A 131 7.004 0.057 -11.065 1.00 1.99 O ATOM 0 H GLU A 131 8.866 5.034 -9.062 1.00 0.68 H new ATOM 0 HA GLU A 131 6.447 3.481 -9.787 1.00 0.65 H new ATOM 0 HB2 GLU A 131 9.201 2.685 -8.800 1.00 0.87 H new ATOM 0 HB3 GLU A 131 7.825 1.617 -8.612 1.00 0.87 H new ATOM 0 HG2 GLU A 131 8.751 2.734 -11.278 1.00 1.41 H new ATOM 0 HG3 GLU A 131 9.241 1.176 -10.643 1.00 1.41 H new ATOM 193 N LYS A 132 6.781 5.029 -7.232 1.00 0.44 N ATOM 194 CA LYS A 132 6.476 5.328 -5.841 1.00 0.42 C ATOM 195 C LYS A 132 5.024 5.004 -5.482 1.00 0.44 C ATOM 196 O LYS A 132 4.121 5.827 -5.636 1.00 0.58 O ATOM 197 CB LYS A 132 6.811 6.801 -5.540 1.00 0.55 C ATOM 198 CG LYS A 132 6.427 7.283 -4.152 1.00 0.65 C ATOM 199 CD LYS A 132 7.241 8.509 -3.766 1.00 1.05 C ATOM 200 CE LYS A 132 6.749 9.123 -2.472 1.00 1.58 C ATOM 201 NZ LYS A 132 7.683 10.162 -1.961 1.00 2.18 N ATOM 0 H LYS A 132 6.963 5.853 -7.805 1.00 0.44 H new ATOM 0 HA LYS A 132 7.097 4.687 -5.215 1.00 0.42 H new ATOM 0 HB2 LYS A 132 7.883 6.947 -5.674 1.00 0.55 H new ATOM 0 HB3 LYS A 132 6.309 7.429 -6.276 1.00 0.55 H new ATOM 0 HG2 LYS A 132 5.364 7.523 -4.126 1.00 0.65 H new ATOM 0 HG3 LYS A 132 6.592 6.487 -3.426 1.00 0.65 H new ATOM 0 HD2 LYS A 132 8.290 8.231 -3.661 1.00 1.05 H new ATOM 0 HD3 LYS A 132 7.185 9.249 -4.564 1.00 1.05 H new ATOM 0 HE2 LYS A 132 5.766 9.565 -2.631 1.00 1.58 H new ATOM 0 HE3 LYS A 132 6.630 8.341 -1.722 1.00 1.58 H new ATOM 0 HZ1 LYS A 132 7.311 10.558 -1.074 1.00 2.18 H new ATOM 0 HZ2 LYS A 132 8.615 9.735 -1.785 1.00 2.18 H new ATOM 0 HZ3 LYS A 132 7.778 10.921 -2.666 1.00 2.18 H new ATOM 215 N VAL A 133 4.821 3.779 -5.026 1.00 0.39 N ATOM 216 CA VAL A 133 3.571 3.363 -4.412 1.00 0.44 C ATOM 217 C VAL A 133 3.813 3.165 -2.925 1.00 0.44 C ATOM 218 O VAL A 133 4.555 2.276 -2.512 1.00 0.50 O ATOM 219 CB VAL A 133 3.013 2.075 -5.057 1.00 0.49 C ATOM 220 CG1 VAL A 133 2.332 2.397 -6.377 1.00 1.02 C ATOM 221 CG2 VAL A 133 4.117 1.056 -5.277 1.00 0.88 C ATOM 0 H VAL A 133 5.523 3.041 -5.072 1.00 0.39 H new ATOM 0 HA VAL A 133 2.820 4.137 -4.570 1.00 0.44 H new ATOM 0 HB VAL A 133 2.280 1.646 -4.374 1.00 0.49 H new ATOM 0 HG11 VAL A 133 1.944 1.480 -6.820 1.00 1.02 H new ATOM 0 HG12 VAL A 133 1.510 3.092 -6.203 1.00 1.02 H new ATOM 0 HG13 VAL A 133 3.053 2.851 -7.057 1.00 1.02 H new ATOM 0 HG21 VAL A 133 3.698 0.158 -5.732 1.00 0.88 H new ATOM 0 HG22 VAL A 133 4.875 1.478 -5.937 1.00 0.88 H new ATOM 0 HG23 VAL A 133 4.571 0.799 -4.320 1.00 0.88 H new ATOM 231 N MET A 134 3.203 4.020 -2.125 1.00 0.54 N ATOM 232 CA MET A 134 3.571 4.140 -0.726 1.00 0.60 C ATOM 233 C MET A 134 2.863 3.121 0.153 1.00 0.57 C ATOM 234 O MET A 134 1.702 3.300 0.523 1.00 0.75 O ATOM 235 CB MET A 134 3.285 5.557 -0.229 1.00 0.83 C ATOM 236 CG MET A 134 4.149 6.612 -0.899 1.00 1.14 C ATOM 237 SD MET A 134 3.774 8.287 -0.345 1.00 1.65 S ATOM 238 CE MET A 134 4.149 8.171 1.403 1.00 1.78 C ATOM 0 H MET A 134 2.450 4.642 -2.420 1.00 0.54 H new ATOM 0 HA MET A 134 4.639 3.935 -0.655 1.00 0.60 H new ATOM 0 HB2 MET A 134 2.235 5.792 -0.404 1.00 0.83 H new ATOM 0 HB3 MET A 134 3.445 5.596 0.848 1.00 0.83 H new ATOM 0 HG2 MET A 134 5.198 6.395 -0.698 1.00 1.14 H new ATOM 0 HG3 MET A 134 4.012 6.553 -1.979 1.00 1.14 H new ATOM 0 HE1 MET A 134 4.259 9.173 1.819 1.00 1.78 H new ATOM 0 HE2 MET A 134 3.338 7.653 1.915 1.00 1.78 H new ATOM 0 HE3 MET A 134 5.078 7.617 1.540 1.00 1.78 H new ATOM 248 N GLY A 135 3.566 2.042 0.461 1.00 0.50 N ATOM 249 CA GLY A 135 3.118 1.133 1.487 1.00 0.61 C ATOM 250 C GLY A 135 3.900 1.357 2.764 1.00 0.70 C ATOM 251 O GLY A 135 5.132 1.371 2.745 1.00 0.77 O ATOM 0 H GLY A 135 4.445 1.781 0.013 1.00 0.50 H new ATOM 0 HA2 GLY A 135 2.054 1.280 1.673 1.00 0.61 H new ATOM 0 HA3 GLY A 135 3.244 0.104 1.151 1.00 0.61 H new ATOM 255 N GLY A 136 3.203 1.576 3.865 1.00 0.85 N ATOM 256 CA GLY A 136 3.881 1.828 5.123 1.00 1.03 C ATOM 257 C GLY A 136 4.636 3.145 5.114 1.00 1.08 C ATOM 258 O GLY A 136 5.650 3.294 5.802 1.00 1.72 O ATOM 0 H GLY A 136 2.184 1.585 3.914 1.00 0.85 H new ATOM 0 HA2 GLY A 136 3.151 1.835 5.932 1.00 1.03 H new ATOM 0 HA3 GLY A 136 4.576 1.014 5.328 1.00 1.03 H new ATOM 262 N GLY A 137 4.147 4.093 4.323 1.00 0.94 N ATOM 263 CA GLY A 137 4.733 5.420 4.275 1.00 0.98 C ATOM 264 C GLY A 137 5.954 5.513 3.378 1.00 0.87 C ATOM 265 O GLY A 137 6.628 6.544 3.352 1.00 1.04 O ATOM 0 H GLY A 137 3.345 3.963 3.707 1.00 0.94 H new ATOM 0 HA2 GLY A 137 3.981 6.128 3.926 1.00 0.98 H new ATOM 0 HA3 GLY A 137 5.010 5.722 5.285 1.00 0.98 H new ATOM 269 N LYS A 138 6.252 4.455 2.640 1.00 0.71 N ATOM 270 CA LYS A 138 7.424 4.446 1.773 1.00 0.71 C ATOM 271 C LYS A 138 7.090 3.836 0.418 1.00 0.53 C ATOM 272 O LYS A 138 6.283 2.918 0.330 1.00 0.52 O ATOM 273 CB LYS A 138 8.571 3.676 2.438 1.00 0.92 C ATOM 274 CG LYS A 138 8.179 2.295 2.937 1.00 1.15 C ATOM 275 CD LYS A 138 9.333 1.593 3.633 1.00 1.46 C ATOM 276 CE LYS A 138 9.848 2.387 4.824 1.00 2.11 C ATOM 277 NZ LYS A 138 8.760 2.736 5.777 1.00 2.69 N ATOM 0 H LYS A 138 5.703 3.595 2.622 1.00 0.71 H new ATOM 0 HA LYS A 138 7.740 5.477 1.613 1.00 0.71 H new ATOM 0 HB2 LYS A 138 9.389 3.575 1.725 1.00 0.92 H new ATOM 0 HB3 LYS A 138 8.950 4.260 3.277 1.00 0.92 H new ATOM 0 HG2 LYS A 138 7.339 2.383 3.627 1.00 1.15 H new ATOM 0 HG3 LYS A 138 7.839 1.689 2.097 1.00 1.15 H new ATOM 0 HD2 LYS A 138 9.009 0.607 3.967 1.00 1.46 H new ATOM 0 HD3 LYS A 138 10.145 1.438 2.922 1.00 1.46 H new ATOM 0 HE2 LYS A 138 10.611 1.807 5.343 1.00 2.11 H new ATOM 0 HE3 LYS A 138 10.327 3.300 4.471 1.00 2.11 H new ATOM 0 HZ1 LYS A 138 9.173 3.124 6.649 1.00 2.69 H new ATOM 0 HZ2 LYS A 138 8.134 3.445 5.345 1.00 2.69 H new ATOM 0 HZ3 LYS A 138 8.211 1.883 6.005 1.00 2.69 H new ATOM 291 N PRO A 139 7.672 4.382 -0.660 1.00 0.51 N ATOM 292 CA PRO A 139 7.508 3.839 -2.010 1.00 0.46 C ATOM 293 C PRO A 139 8.096 2.445 -2.165 1.00 0.39 C ATOM 294 O PRO A 139 9.286 2.226 -1.934 1.00 0.51 O ATOM 295 CB PRO A 139 8.278 4.823 -2.894 1.00 0.60 C ATOM 296 CG PRO A 139 9.219 5.508 -1.973 1.00 0.72 C ATOM 297 CD PRO A 139 8.509 5.591 -0.657 1.00 0.63 C ATOM 0 HA PRO A 139 6.453 3.737 -2.265 1.00 0.46 H new ATOM 0 HB2 PRO A 139 8.812 4.304 -3.690 1.00 0.60 H new ATOM 0 HB3 PRO A 139 7.605 5.535 -3.372 1.00 0.60 H new ATOM 0 HG2 PRO A 139 10.151 4.951 -1.880 1.00 0.72 H new ATOM 0 HG3 PRO A 139 9.476 6.501 -2.343 1.00 0.72 H new ATOM 0 HD2 PRO A 139 9.208 5.597 0.180 1.00 0.63 H new ATOM 0 HD3 PRO A 139 7.909 6.498 -0.578 1.00 0.63 H new ATOM 305 N TRP A 140 7.246 1.513 -2.550 1.00 0.34 N ATOM 306 CA TRP A 140 7.674 0.170 -2.893 1.00 0.33 C ATOM 307 C TRP A 140 7.725 0.053 -4.404 1.00 0.31 C ATOM 308 O TRP A 140 7.278 0.953 -5.111 1.00 0.38 O ATOM 309 CB TRP A 140 6.692 -0.875 -2.343 1.00 0.40 C ATOM 310 CG TRP A 140 6.651 -0.976 -0.845 1.00 0.44 C ATOM 311 CD1 TRP A 140 6.800 0.031 0.062 1.00 0.54 C ATOM 312 CD2 TRP A 140 6.425 -2.164 -0.083 1.00 0.51 C ATOM 313 NE1 TRP A 140 6.686 -0.461 1.338 1.00 0.61 N ATOM 314 CE2 TRP A 140 6.455 -1.807 1.276 1.00 0.58 C ATOM 315 CE3 TRP A 140 6.205 -3.493 -0.422 1.00 0.62 C ATOM 316 CZ2 TRP A 140 6.271 -2.738 2.296 1.00 0.69 C ATOM 317 CZ3 TRP A 140 6.018 -4.418 0.588 1.00 0.76 C ATOM 318 CH2 TRP A 140 6.052 -4.038 1.934 1.00 0.78 C ATOM 0 H TRP A 140 6.241 1.665 -2.634 1.00 0.34 H new ATOM 0 HA TRP A 140 8.655 -0.013 -2.455 1.00 0.33 H new ATOM 0 HB2 TRP A 140 5.691 -0.638 -2.704 1.00 0.40 H new ATOM 0 HB3 TRP A 140 6.955 -1.851 -2.752 1.00 0.40 H new ATOM 0 HD1 TRP A 140 6.981 1.066 -0.188 1.00 0.54 H new ATOM 0 HE1 TRP A 140 6.761 0.089 2.194 1.00 0.61 H new ATOM 0 HE3 TRP A 140 6.180 -3.799 -1.458 1.00 0.62 H new ATOM 0 HZ2 TRP A 140 6.300 -2.444 3.335 1.00 0.69 H new ATOM 0 HZ3 TRP A 140 5.842 -5.453 0.333 1.00 0.76 H new ATOM 0 HH2 TRP A 140 5.903 -4.784 2.700 1.00 0.78 H new ATOM 329 N HIS A 141 8.282 -1.037 -4.904 1.00 0.34 N ATOM 330 CA HIS A 141 8.138 -1.362 -6.314 1.00 0.34 C ATOM 331 C HIS A 141 6.683 -1.710 -6.554 1.00 0.40 C ATOM 332 O HIS A 141 6.100 -2.417 -5.748 1.00 0.51 O ATOM 333 CB HIS A 141 9.012 -2.564 -6.699 1.00 0.42 C ATOM 334 CG HIS A 141 10.480 -2.322 -6.589 1.00 0.47 C ATOM 335 ND1 HIS A 141 11.334 -3.275 -6.105 1.00 0.68 N ATOM 336 CD2 HIS A 141 11.203 -1.224 -6.930 1.00 0.70 C ATOM 337 CE1 HIS A 141 12.543 -2.754 -6.147 1.00 0.71 C ATOM 338 NE2 HIS A 141 12.521 -1.504 -6.652 1.00 0.72 N ATOM 0 H HIS A 141 8.832 -1.705 -4.363 1.00 0.34 H new ATOM 0 HA HIS A 141 8.453 -0.511 -6.918 1.00 0.34 H new ATOM 0 HB2 HIS A 141 8.747 -3.408 -6.063 1.00 0.42 H new ATOM 0 HB3 HIS A 141 8.780 -2.852 -7.724 1.00 0.42 H new ATOM 0 HD2 HIS A 141 10.816 -0.304 -7.342 1.00 0.70 H new ATOM 0 HE1 HIS A 141 13.437 -3.263 -5.819 1.00 0.71 H new ATOM 0 HE2 HIS A 141 13.321 -0.889 -6.799 1.00 0.72 H new ATOM 346 N LYS A 142 6.084 -1.214 -7.634 1.00 0.49 N ATOM 347 CA LYS A 142 4.693 -1.561 -7.933 1.00 0.65 C ATOM 348 C LYS A 142 4.521 -3.078 -8.024 1.00 0.71 C ATOM 349 O LYS A 142 3.442 -3.613 -7.760 1.00 0.89 O ATOM 350 CB LYS A 142 4.211 -0.921 -9.235 1.00 0.85 C ATOM 351 CG LYS A 142 2.722 -1.123 -9.452 1.00 1.52 C ATOM 352 CD LYS A 142 2.316 -0.968 -10.903 1.00 1.88 C ATOM 353 CE LYS A 142 0.854 -1.336 -11.083 1.00 2.60 C ATOM 354 NZ LYS A 142 0.443 -1.365 -12.509 1.00 3.19 N ATOM 0 H LYS A 142 6.526 -0.585 -8.304 1.00 0.49 H new ATOM 0 HA LYS A 142 4.088 -1.171 -7.114 1.00 0.65 H new ATOM 0 HB2 LYS A 142 4.433 0.146 -9.218 1.00 0.85 H new ATOM 0 HB3 LYS A 142 4.761 -1.348 -10.074 1.00 0.85 H new ATOM 0 HG2 LYS A 142 2.440 -2.117 -9.104 1.00 1.52 H new ATOM 0 HG3 LYS A 142 2.170 -0.405 -8.846 1.00 1.52 H new ATOM 0 HD2 LYS A 142 2.482 0.060 -11.226 1.00 1.88 H new ATOM 0 HD3 LYS A 142 2.938 -1.605 -11.532 1.00 1.88 H new ATOM 0 HE2 LYS A 142 0.672 -2.314 -10.636 1.00 2.60 H new ATOM 0 HE3 LYS A 142 0.234 -0.619 -10.545 1.00 2.60 H new ATOM 0 HZ1 LYS A 142 -0.395 -1.972 -12.617 1.00 3.19 H new ATOM 0 HZ2 LYS A 142 0.215 -0.401 -12.824 1.00 3.19 H new ATOM 0 HZ3 LYS A 142 1.221 -1.743 -13.087 1.00 3.19 H new ATOM 368 N THR A 143 5.594 -3.761 -8.396 1.00 0.69 N ATOM 369 CA THR A 143 5.600 -5.211 -8.458 1.00 0.84 C ATOM 370 C THR A 143 5.500 -5.819 -7.064 1.00 0.84 C ATOM 371 O THR A 143 4.883 -6.864 -6.874 1.00 1.10 O ATOM 372 CB THR A 143 6.881 -5.719 -9.144 1.00 0.95 C ATOM 373 OG1 THR A 143 8.033 -5.101 -8.547 1.00 1.38 O ATOM 374 CG2 THR A 143 6.851 -5.414 -10.633 1.00 1.47 C ATOM 0 H THR A 143 6.478 -3.327 -8.661 1.00 0.69 H new ATOM 0 HA THR A 143 4.732 -5.519 -9.041 1.00 0.84 H new ATOM 0 HB THR A 143 6.938 -6.799 -9.011 1.00 0.95 H new ATOM 0 HG1 THR A 143 8.121 -5.401 -7.618 1.00 1.38 H new ATOM 0 HG21 THR A 143 7.766 -5.782 -11.098 1.00 1.47 H new ATOM 0 HG22 THR A 143 5.990 -5.905 -11.088 1.00 1.47 H new ATOM 0 HG23 THR A 143 6.775 -4.337 -10.782 1.00 1.47 H new ATOM 382 N CYS A 144 6.099 -5.140 -6.094 1.00 0.68 N ATOM 383 CA CYS A 144 6.163 -5.627 -4.725 1.00 0.76 C ATOM 384 C CYS A 144 5.108 -4.962 -3.863 1.00 0.81 C ATOM 385 O CYS A 144 4.914 -5.324 -2.702 1.00 0.96 O ATOM 386 CB CYS A 144 7.542 -5.356 -4.175 1.00 0.73 C ATOM 387 SG CYS A 144 8.841 -5.760 -5.368 1.00 1.14 S ATOM 0 H CYS A 144 6.553 -4.238 -6.235 1.00 0.68 H new ATOM 0 HA CYS A 144 5.967 -6.699 -4.716 1.00 0.76 H new ATOM 0 HB2 CYS A 144 7.621 -4.305 -3.896 1.00 0.73 H new ATOM 0 HB3 CYS A 144 7.691 -5.939 -3.266 1.00 0.73 H new ATOM 392 N PHE A 145 4.455 -3.964 -4.435 1.00 0.80 N ATOM 393 CA PHE A 145 3.243 -3.419 -3.869 1.00 0.86 C ATOM 394 C PHE A 145 2.170 -4.474 -4.046 1.00 0.79 C ATOM 395 O PHE A 145 1.303 -4.371 -4.905 1.00 0.81 O ATOM 396 CB PHE A 145 2.870 -2.126 -4.586 1.00 0.94 C ATOM 397 CG PHE A 145 1.901 -1.270 -3.828 1.00 0.97 C ATOM 398 CD1 PHE A 145 2.316 -0.566 -2.710 1.00 1.03 C ATOM 399 CD2 PHE A 145 0.584 -1.160 -4.236 1.00 1.05 C ATOM 400 CE1 PHE A 145 1.433 0.235 -2.015 1.00 1.10 C ATOM 401 CE2 PHE A 145 -0.301 -0.360 -3.547 1.00 1.13 C ATOM 402 CZ PHE A 145 0.124 0.338 -2.434 1.00 1.13 C ATOM 0 H PHE A 145 4.752 -3.514 -5.301 1.00 0.80 H new ATOM 0 HA PHE A 145 3.366 -3.176 -2.814 1.00 0.86 H new ATOM 0 HB2 PHE A 145 3.777 -1.552 -4.774 1.00 0.94 H new ATOM 0 HB3 PHE A 145 2.441 -2.371 -5.557 1.00 0.94 H new ATOM 0 HD1 PHE A 145 3.341 -0.645 -2.379 1.00 1.03 H new ATOM 0 HD2 PHE A 145 0.246 -1.707 -5.104 1.00 1.05 H new ATOM 0 HE1 PHE A 145 1.767 0.780 -1.145 1.00 1.10 H new ATOM 0 HE2 PHE A 145 -1.326 -0.279 -3.877 1.00 1.13 H new ATOM 0 HZ PHE A 145 -0.569 0.964 -1.892 1.00 1.13 H new ATOM 412 N ARG A 146 2.291 -5.507 -3.247 1.00 0.76 N ATOM 413 CA ARG A 146 1.590 -6.753 -3.450 1.00 0.69 C ATOM 414 C ARG A 146 1.431 -7.419 -2.111 1.00 0.66 C ATOM 415 O ARG A 146 1.892 -6.893 -1.101 1.00 0.95 O ATOM 416 CB ARG A 146 2.454 -7.664 -4.340 1.00 0.77 C ATOM 417 CG ARG A 146 3.692 -8.192 -3.619 1.00 1.08 C ATOM 418 CD ARG A 146 4.734 -8.742 -4.580 1.00 1.13 C ATOM 419 NE ARG A 146 4.452 -10.103 -5.042 1.00 1.61 N ATOM 420 CZ ARG A 146 4.560 -10.484 -6.317 1.00 1.86 C ATOM 421 NH1 ARG A 146 4.729 -9.577 -7.272 1.00 1.73 N ATOM 422 NH2 ARG A 146 4.479 -11.770 -6.637 1.00 2.78 N ATOM 0 H ARG A 146 2.891 -5.505 -2.422 1.00 0.76 H new ATOM 0 HA ARG A 146 0.621 -6.576 -3.916 1.00 0.69 H new ATOM 0 HB2 ARG A 146 1.852 -8.506 -4.683 1.00 0.77 H new ATOM 0 HB3 ARG A 146 2.764 -7.111 -5.227 1.00 0.77 H new ATOM 0 HG2 ARG A 146 4.134 -7.390 -3.028 1.00 1.08 H new ATOM 0 HG3 ARG A 146 3.396 -8.976 -2.921 1.00 1.08 H new ATOM 0 HD2 ARG A 146 4.802 -8.082 -5.444 1.00 1.13 H new ATOM 0 HD3 ARG A 146 5.708 -8.729 -4.091 1.00 1.13 H new ATOM 0 HE ARG A 146 4.158 -10.796 -4.354 1.00 1.61 H new ATOM 0 HH11 ARG A 146 4.777 -8.587 -7.032 1.00 1.73 H new ATOM 0 HH12 ARG A 146 4.811 -9.871 -8.245 1.00 1.73 H new ATOM 0 HH21 ARG A 146 4.334 -12.469 -5.908 1.00 2.78 H new ATOM 0 HH22 ARG A 146 4.562 -12.059 -7.612 1.00 2.78 H new ATOM 436 N CYS A 147 0.804 -8.568 -2.091 1.00 0.42 N ATOM 437 CA CYS A 147 0.993 -9.443 -0.971 1.00 0.43 C ATOM 438 C CYS A 147 1.629 -10.723 -1.459 1.00 0.52 C ATOM 439 O CYS A 147 1.285 -11.266 -2.536 1.00 0.53 O ATOM 440 CB CYS A 147 -0.288 -9.717 -0.191 1.00 0.43 C ATOM 441 SG CYS A 147 -0.998 -11.357 -0.460 1.00 0.68 S ATOM 0 H CYS A 147 0.175 -8.910 -2.818 1.00 0.42 H new ATOM 0 HA CYS A 147 1.653 -8.944 -0.261 1.00 0.43 H new ATOM 0 HB2 CYS A 147 -0.083 -9.594 0.873 1.00 0.43 H new ATOM 0 HB3 CYS A 147 -1.030 -8.966 -0.461 1.00 0.43 H new ATOM 446 N ALA A 148 2.602 -11.148 -0.680 1.00 0.67 N ATOM 447 CA ALA A 148 3.390 -12.330 -0.962 1.00 0.82 C ATOM 448 C ALA A 148 2.610 -13.614 -0.694 1.00 0.84 C ATOM 449 O ALA A 148 3.128 -14.711 -0.894 1.00 0.98 O ATOM 450 CB ALA A 148 4.665 -12.295 -0.134 1.00 1.02 C ATOM 0 H ALA A 148 2.872 -10.674 0.182 1.00 0.67 H new ATOM 0 HA ALA A 148 3.641 -12.327 -2.023 1.00 0.82 H new ATOM 0 HB1 ALA A 148 5.260 -13.184 -0.344 1.00 1.02 H new ATOM 0 HB2 ALA A 148 5.240 -11.405 -0.389 1.00 1.02 H new ATOM 0 HB3 ALA A 148 4.410 -12.271 0.926 1.00 1.02 H new ATOM 456 N ILE A 149 1.368 -13.481 -0.242 1.00 0.76 N ATOM 457 CA ILE A 149 0.532 -14.641 0.019 1.00 0.84 C ATOM 458 C ILE A 149 0.066 -15.252 -1.293 1.00 0.85 C ATOM 459 O ILE A 149 0.157 -16.467 -1.495 1.00 1.00 O ATOM 460 CB ILE A 149 -0.706 -14.282 0.873 1.00 0.82 C ATOM 461 CG1 ILE A 149 -0.281 -13.705 2.227 1.00 0.86 C ATOM 462 CG2 ILE A 149 -1.593 -15.505 1.073 1.00 0.97 C ATOM 463 CD1 ILE A 149 -1.449 -13.298 3.102 1.00 1.02 C ATOM 0 H ILE A 149 0.922 -12.584 -0.050 1.00 0.76 H new ATOM 0 HA ILE A 149 1.137 -15.356 0.577 1.00 0.84 H new ATOM 0 HB ILE A 149 -1.278 -13.523 0.339 1.00 0.82 H new ATOM 0 HG12 ILE A 149 0.319 -14.445 2.756 1.00 0.86 H new ATOM 0 HG13 ILE A 149 0.357 -12.837 2.059 1.00 0.86 H new ATOM 0 HG21 ILE A 149 -2.459 -15.232 1.676 1.00 0.97 H new ATOM 0 HG22 ILE A 149 -1.928 -15.874 0.104 1.00 0.97 H new ATOM 0 HG23 ILE A 149 -1.027 -16.285 1.582 1.00 0.97 H new ATOM 0 HD11 ILE A 149 -1.075 -12.898 4.045 1.00 1.02 H new ATOM 0 HD12 ILE A 149 -2.037 -12.535 2.592 1.00 1.02 H new ATOM 0 HD13 ILE A 149 -2.076 -14.168 3.300 1.00 1.02 H new ATOM 475 N CYS A 150 -0.402 -14.404 -2.194 1.00 0.73 N ATOM 476 CA CYS A 150 -0.968 -14.861 -3.437 1.00 0.79 C ATOM 477 C CYS A 150 0.012 -14.618 -4.574 1.00 0.75 C ATOM 478 O CYS A 150 0.051 -15.358 -5.559 1.00 0.87 O ATOM 479 CB CYS A 150 -2.256 -14.096 -3.697 1.00 0.78 C ATOM 480 SG CYS A 150 -1.966 -12.318 -3.916 1.00 0.82 S ATOM 0 H CYS A 150 -0.397 -13.390 -2.080 1.00 0.73 H new ATOM 0 HA CYS A 150 -1.175 -15.929 -3.376 1.00 0.79 H new ATOM 0 HB2 CYS A 150 -2.740 -14.496 -4.588 1.00 0.78 H new ATOM 0 HB3 CYS A 150 -2.943 -14.250 -2.865 1.00 0.78 H new ATOM 485 N GLY A 151 0.819 -13.579 -4.405 1.00 0.66 N ATOM 486 CA GLY A 151 1.727 -13.156 -5.442 1.00 0.70 C ATOM 487 C GLY A 151 1.093 -12.115 -6.333 1.00 0.66 C ATOM 488 O GLY A 151 1.434 -11.996 -7.512 1.00 0.76 O ATOM 0 H GLY A 151 0.857 -13.018 -3.554 1.00 0.66 H new ATOM 0 HA2 GLY A 151 2.633 -12.750 -4.992 1.00 0.70 H new ATOM 0 HA3 GLY A 151 2.026 -14.017 -6.040 1.00 0.70 H new ATOM 492 N LYS A 152 0.175 -11.342 -5.764 1.00 0.58 N ATOM 493 CA LYS A 152 -0.615 -10.406 -6.561 1.00 0.64 C ATOM 494 C LYS A 152 -0.189 -8.972 -6.325 1.00 0.56 C ATOM 495 O LYS A 152 -0.177 -8.499 -5.189 1.00 0.50 O ATOM 496 CB LYS A 152 -2.108 -10.550 -6.260 1.00 0.80 C ATOM 497 CG LYS A 152 -3.002 -9.492 -6.887 1.00 0.89 C ATOM 498 CD LYS A 152 -4.266 -9.320 -6.060 1.00 1.39 C ATOM 499 CE LYS A 152 -5.223 -8.304 -6.660 1.00 1.75 C ATOM 500 NZ LYS A 152 -5.860 -8.807 -7.903 1.00 2.37 N ATOM 0 H LYS A 152 -0.040 -11.342 -4.767 1.00 0.58 H new ATOM 0 HA LYS A 152 -0.436 -10.653 -7.607 1.00 0.64 H new ATOM 0 HB2 LYS A 152 -2.438 -11.531 -6.603 1.00 0.80 H new ATOM 0 HB3 LYS A 152 -2.248 -10.526 -5.179 1.00 0.80 H new ATOM 0 HG2 LYS A 152 -2.468 -8.544 -6.950 1.00 0.89 H new ATOM 0 HG3 LYS A 152 -3.261 -9.781 -7.906 1.00 0.89 H new ATOM 0 HD2 LYS A 152 -4.771 -10.282 -5.971 1.00 1.39 H new ATOM 0 HD3 LYS A 152 -3.996 -9.008 -5.051 1.00 1.39 H new ATOM 0 HE2 LYS A 152 -5.995 -8.058 -5.931 1.00 1.75 H new ATOM 0 HE3 LYS A 152 -4.684 -7.382 -6.876 1.00 1.75 H new ATOM 0 HZ1 LYS A 152 -6.530 -8.097 -8.261 1.00 2.37 H new ATOM 0 HZ2 LYS A 152 -5.128 -8.985 -8.620 1.00 2.37 H new ATOM 0 HZ3 LYS A 152 -6.368 -9.691 -7.699 1.00 2.37 H new ATOM 514 N SER A 153 0.154 -8.292 -7.411 1.00 0.67 N ATOM 515 CA SER A 153 0.519 -6.888 -7.362 1.00 0.73 C ATOM 516 C SER A 153 -0.734 -6.016 -7.313 1.00 0.76 C ATOM 517 O SER A 153 -1.756 -6.337 -7.929 1.00 0.94 O ATOM 518 CB SER A 153 1.374 -6.538 -8.576 1.00 0.91 C ATOM 519 OG SER A 153 0.796 -7.053 -9.769 1.00 1.46 O ATOM 0 H SER A 153 0.186 -8.699 -8.346 1.00 0.67 H new ATOM 0 HA SER A 153 1.098 -6.699 -6.458 1.00 0.73 H new ATOM 0 HB2 SER A 153 1.476 -5.456 -8.654 1.00 0.91 H new ATOM 0 HB3 SER A 153 2.377 -6.944 -8.448 1.00 0.91 H new ATOM 0 HG SER A 153 1.360 -6.815 -10.535 1.00 1.46 H new ATOM 525 N LEU A 154 -0.644 -4.918 -6.587 1.00 0.71 N ATOM 526 CA LEU A 154 -1.784 -4.061 -6.335 1.00 0.76 C ATOM 527 C LEU A 154 -1.674 -2.760 -7.130 1.00 0.92 C ATOM 528 O LEU A 154 -0.628 -2.108 -7.145 1.00 1.13 O ATOM 529 CB LEU A 154 -1.868 -3.801 -4.829 1.00 0.70 C ATOM 530 CG LEU A 154 -1.964 -5.082 -3.990 1.00 0.70 C ATOM 531 CD1 LEU A 154 -1.553 -4.841 -2.543 1.00 0.85 C ATOM 532 CD2 LEU A 154 -3.375 -5.644 -4.060 1.00 0.86 C ATOM 0 H LEU A 154 0.222 -4.596 -6.156 1.00 0.71 H new ATOM 0 HA LEU A 154 -2.700 -4.550 -6.665 1.00 0.76 H new ATOM 0 HB2 LEU A 154 -0.989 -3.237 -4.516 1.00 0.70 H new ATOM 0 HB3 LEU A 154 -2.737 -3.176 -4.624 1.00 0.70 H new ATOM 0 HG LEU A 154 -1.268 -5.810 -4.407 1.00 0.70 H new ATOM 0 HD11 LEU A 154 -1.635 -5.772 -1.982 1.00 0.85 H new ATOM 0 HD12 LEU A 154 -0.522 -4.487 -2.512 1.00 0.85 H new ATOM 0 HD13 LEU A 154 -2.208 -4.091 -2.099 1.00 0.85 H new ATOM 0 HD21 LEU A 154 -3.435 -6.553 -3.462 1.00 0.86 H new ATOM 0 HD22 LEU A 154 -4.079 -4.908 -3.673 1.00 0.86 H new ATOM 0 HD23 LEU A 154 -3.624 -5.874 -5.096 1.00 0.86 H new ATOM 544 N GLU A 155 -2.758 -2.407 -7.811 1.00 1.24 N ATOM 545 CA GLU A 155 -2.790 -1.239 -8.683 1.00 1.53 C ATOM 546 C GLU A 155 -2.879 0.069 -7.899 1.00 1.73 C ATOM 547 O GLU A 155 -3.975 0.601 -7.703 1.00 2.45 O ATOM 548 CB GLU A 155 -3.974 -1.337 -9.641 1.00 1.96 C ATOM 549 CG GLU A 155 -3.781 -2.329 -10.773 1.00 2.39 C ATOM 550 CD GLU A 155 -2.706 -1.889 -11.745 1.00 3.01 C ATOM 551 OE1 GLU A 155 -2.750 -0.726 -12.201 1.00 3.46 O ATOM 552 OE2 GLU A 155 -1.818 -2.703 -12.069 1.00 3.54 O ATOM 0 H GLU A 155 -3.638 -2.921 -7.774 1.00 1.24 H new ATOM 0 HA GLU A 155 -1.854 -1.229 -9.241 1.00 1.53 H new ATOM 0 HB2 GLU A 155 -4.862 -1.618 -9.075 1.00 1.96 H new ATOM 0 HB3 GLU A 155 -4.165 -0.352 -10.066 1.00 1.96 H new ATOM 0 HG2 GLU A 155 -3.517 -3.302 -10.359 1.00 2.39 H new ATOM 0 HG3 GLU A 155 -4.722 -2.454 -11.308 1.00 2.39 H new ATOM 559 N SER A 156 -1.721 0.562 -7.448 1.00 1.83 N ATOM 560 CA SER A 156 -1.590 1.885 -6.819 1.00 2.22 C ATOM 561 C SER A 156 -2.203 1.928 -5.415 1.00 1.96 C ATOM 562 O SER A 156 -1.569 2.393 -4.463 1.00 2.65 O ATOM 563 CB SER A 156 -2.215 2.969 -7.707 1.00 3.04 C ATOM 564 OG SER A 156 -1.643 2.955 -9.008 1.00 3.58 O ATOM 0 H SER A 156 -0.840 0.052 -7.509 1.00 1.83 H new ATOM 0 HA SER A 156 -0.523 2.081 -6.712 1.00 2.22 H new ATOM 0 HB2 SER A 156 -3.291 2.810 -7.777 1.00 3.04 H new ATOM 0 HB3 SER A 156 -2.066 3.948 -7.251 1.00 3.04 H new ATOM 0 HG SER A 156 -2.059 3.653 -9.556 1.00 3.58 H new ATOM 570 N THR A 157 -3.433 1.463 -5.301 1.00 1.62 N ATOM 571 CA THR A 157 -4.124 1.376 -4.028 1.00 1.69 C ATOM 572 C THR A 157 -4.309 -0.103 -3.667 1.00 1.51 C ATOM 573 O THR A 157 -3.483 -0.930 -4.054 1.00 2.11 O ATOM 574 CB THR A 157 -5.484 2.102 -4.108 1.00 2.15 C ATOM 575 OG1 THR A 157 -5.361 3.253 -4.956 1.00 2.66 O ATOM 576 CG2 THR A 157 -5.946 2.555 -2.728 1.00 2.67 C ATOM 0 H THR A 157 -3.984 1.133 -6.093 1.00 1.62 H new ATOM 0 HA THR A 157 -3.535 1.863 -3.250 1.00 1.69 H new ATOM 0 HB THR A 157 -6.218 1.406 -4.513 1.00 2.15 H new ATOM 0 HG1 THR A 157 -6.224 3.714 -5.009 1.00 2.66 H new ATOM 0 HG21 THR A 157 -6.906 3.063 -2.815 1.00 2.67 H new ATOM 0 HG22 THR A 157 -6.052 1.687 -2.077 1.00 2.67 H new ATOM 0 HG23 THR A 157 -5.210 3.239 -2.304 1.00 2.67 H new ATOM 584 N ASN A 158 -5.388 -0.434 -2.947 1.00 1.17 N ATOM 585 CA ASN A 158 -5.653 -1.812 -2.509 1.00 1.14 C ATOM 586 C ASN A 158 -4.621 -2.235 -1.469 1.00 0.94 C ATOM 587 O ASN A 158 -4.407 -3.424 -1.231 1.00 1.16 O ATOM 588 CB ASN A 158 -5.638 -2.803 -3.687 1.00 1.38 C ATOM 589 CG ASN A 158 -6.616 -2.446 -4.791 1.00 1.61 C ATOM 590 OD1 ASN A 158 -7.780 -2.842 -4.758 1.00 2.30 O ATOM 591 ND2 ASN A 158 -6.148 -1.704 -5.787 1.00 2.09 N ATOM 0 H ASN A 158 -6.097 0.238 -2.653 1.00 1.17 H new ATOM 0 HA ASN A 158 -6.651 -1.831 -2.070 1.00 1.14 H new ATOM 0 HB2 ASN A 158 -4.632 -2.845 -4.104 1.00 1.38 H new ATOM 0 HB3 ASN A 158 -5.871 -3.801 -3.315 1.00 1.38 H new ATOM 0 HD21 ASN A 158 -6.760 -1.443 -6.560 1.00 2.09 H new ATOM 0 HD22 ASN A 158 -5.176 -1.394 -5.779 1.00 2.09 H new ATOM 598 N VAL A 159 -4.016 -1.244 -0.831 1.00 0.79 N ATOM 599 CA VAL A 159 -2.910 -1.474 0.084 1.00 0.72 C ATOM 600 C VAL A 159 -3.380 -1.588 1.526 1.00 0.69 C ATOM 601 O VAL A 159 -4.164 -0.767 2.009 1.00 0.83 O ATOM 602 CB VAL A 159 -1.842 -0.355 -0.028 1.00 0.94 C ATOM 603 CG1 VAL A 159 -2.488 1.018 -0.154 1.00 1.27 C ATOM 604 CG2 VAL A 159 -0.882 -0.380 1.158 1.00 1.59 C ATOM 0 H VAL A 159 -4.277 -0.263 -0.933 1.00 0.79 H new ATOM 0 HA VAL A 159 -2.460 -2.423 -0.207 1.00 0.72 H new ATOM 0 HB VAL A 159 -1.270 -0.549 -0.935 1.00 0.94 H new ATOM 0 HG11 VAL A 159 -1.712 1.780 -0.230 1.00 1.27 H new ATOM 0 HG12 VAL A 159 -3.113 1.046 -1.047 1.00 1.27 H new ATOM 0 HG13 VAL A 159 -3.102 1.213 0.725 1.00 1.27 H new ATOM 0 HG21 VAL A 159 -0.147 0.417 1.048 1.00 1.59 H new ATOM 0 HG22 VAL A 159 -1.441 -0.233 2.082 1.00 1.59 H new ATOM 0 HG23 VAL A 159 -0.371 -1.342 1.193 1.00 1.59 H new ATOM 614 N THR A 160 -2.925 -2.629 2.198 1.00 0.62 N ATOM 615 CA THR A 160 -3.122 -2.752 3.623 1.00 0.67 C ATOM 616 C THR A 160 -1.849 -3.278 4.278 1.00 0.70 C ATOM 617 O THR A 160 -1.361 -4.351 3.926 1.00 0.81 O ATOM 618 CB THR A 160 -4.305 -3.682 3.945 1.00 0.71 C ATOM 619 OG1 THR A 160 -5.450 -3.286 3.178 1.00 1.16 O ATOM 620 CG2 THR A 160 -4.647 -3.625 5.427 1.00 1.08 C ATOM 0 H THR A 160 -2.414 -3.403 1.774 1.00 0.62 H new ATOM 0 HA THR A 160 -3.353 -1.764 4.021 1.00 0.67 H new ATOM 0 HB THR A 160 -4.022 -4.703 3.690 1.00 0.71 H new ATOM 0 HG1 THR A 160 -6.202 -3.880 3.383 1.00 1.16 H new ATOM 0 HG21 THR A 160 -5.486 -4.290 5.633 1.00 1.08 H new ATOM 0 HG22 THR A 160 -3.783 -3.940 6.012 1.00 1.08 H new ATOM 0 HG23 THR A 160 -4.917 -2.605 5.699 1.00 1.08 H new ATOM 628 N ASP A 161 -1.298 -2.504 5.204 1.00 0.82 N ATOM 629 CA ASP A 161 -0.069 -2.888 5.888 1.00 0.93 C ATOM 630 C ASP A 161 -0.364 -3.713 7.131 1.00 0.96 C ATOM 631 O ASP A 161 -1.287 -3.406 7.892 1.00 1.06 O ATOM 632 CB ASP A 161 0.744 -1.651 6.284 1.00 1.18 C ATOM 633 CG ASP A 161 1.915 -1.993 7.188 1.00 1.61 C ATOM 634 OD1 ASP A 161 2.922 -2.521 6.685 1.00 2.27 O ATOM 635 OD2 ASP A 161 1.818 -1.748 8.409 1.00 2.13 O ATOM 0 H ASP A 161 -1.682 -1.606 5.499 1.00 0.82 H new ATOM 0 HA ASP A 161 0.512 -3.494 5.192 1.00 0.93 H new ATOM 0 HB2 ASP A 161 1.114 -1.160 5.384 1.00 1.18 H new ATOM 0 HB3 ASP A 161 0.093 -0.939 6.791 1.00 1.18 H new ATOM 640 N LYS A 162 0.418 -4.759 7.325 1.00 0.98 N ATOM 641 CA LYS A 162 0.328 -5.568 8.525 1.00 1.10 C ATOM 642 C LYS A 162 1.734 -5.937 8.988 1.00 1.22 C ATOM 643 O LYS A 162 2.364 -6.848 8.447 1.00 1.27 O ATOM 644 CB LYS A 162 -0.535 -6.813 8.266 1.00 1.17 C ATOM 645 CG LYS A 162 -0.819 -7.674 9.494 1.00 1.55 C ATOM 646 CD LYS A 162 0.237 -8.747 9.694 1.00 1.86 C ATOM 647 CE LYS A 162 -0.149 -9.724 10.794 1.00 2.36 C ATOM 648 NZ LYS A 162 -0.284 -9.065 12.119 1.00 2.95 N ATOM 0 H LYS A 162 1.127 -5.069 6.661 1.00 0.98 H new ATOM 0 HA LYS A 162 -0.156 -5.001 9.320 1.00 1.10 H new ATOM 0 HB2 LYS A 162 -1.485 -6.494 7.838 1.00 1.17 H new ATOM 0 HB3 LYS A 162 -0.039 -7.430 7.517 1.00 1.17 H new ATOM 0 HG2 LYS A 162 -0.863 -7.039 10.379 1.00 1.55 H new ATOM 0 HG3 LYS A 162 -1.797 -8.143 9.389 1.00 1.55 H new ATOM 0 HD2 LYS A 162 0.384 -9.291 8.761 1.00 1.86 H new ATOM 0 HD3 LYS A 162 1.189 -8.278 9.943 1.00 1.86 H new ATOM 0 HE2 LYS A 162 -1.092 -10.205 10.534 1.00 2.36 H new ATOM 0 HE3 LYS A 162 0.603 -10.510 10.858 1.00 2.36 H new ATOM 0 HZ1 LYS A 162 -0.548 -9.773 12.834 1.00 2.95 H new ATOM 0 HZ2 LYS A 162 0.622 -8.628 12.383 1.00 2.95 H new ATOM 0 HZ3 LYS A 162 -1.021 -8.332 12.069 1.00 2.95 H new ATOM 662 N ASP A 163 2.230 -5.172 9.957 1.00 1.37 N ATOM 663 CA ASP A 163 3.538 -5.414 10.572 1.00 1.58 C ATOM 664 C ASP A 163 4.679 -5.239 9.574 1.00 1.48 C ATOM 665 O ASP A 163 5.665 -5.981 9.608 1.00 1.94 O ATOM 666 CB ASP A 163 3.608 -6.813 11.204 1.00 1.83 C ATOM 667 CG ASP A 163 2.796 -6.930 12.477 1.00 2.42 C ATOM 668 OD1 ASP A 163 1.573 -7.171 12.392 1.00 2.97 O ATOM 669 OD2 ASP A 163 3.377 -6.799 13.572 1.00 2.80 O ATOM 0 H ASP A 163 1.738 -4.365 10.340 1.00 1.37 H new ATOM 0 HA ASP A 163 3.656 -4.667 11.357 1.00 1.58 H new ATOM 0 HB2 ASP A 163 3.251 -7.549 10.484 1.00 1.83 H new ATOM 0 HB3 ASP A 163 4.648 -7.056 11.420 1.00 1.83 H new ATOM 674 N GLY A 164 4.546 -4.268 8.682 1.00 1.41 N ATOM 675 CA GLY A 164 5.620 -3.967 7.754 1.00 1.46 C ATOM 676 C GLY A 164 5.526 -4.766 6.471 1.00 1.29 C ATOM 677 O GLY A 164 6.314 -4.561 5.545 1.00 1.45 O ATOM 0 H GLY A 164 3.716 -3.684 8.583 1.00 1.41 H new ATOM 0 HA2 GLY A 164 5.602 -2.903 7.517 1.00 1.46 H new ATOM 0 HA3 GLY A 164 6.577 -4.170 8.234 1.00 1.46 H new ATOM 681 N GLU A 165 4.571 -5.684 6.409 1.00 1.10 N ATOM 682 CA GLU A 165 4.386 -6.493 5.220 1.00 1.01 C ATOM 683 C GLU A 165 3.097 -6.079 4.520 1.00 0.86 C ATOM 684 O GLU A 165 2.067 -5.873 5.165 1.00 0.92 O ATOM 685 CB GLU A 165 4.371 -7.984 5.582 1.00 1.13 C ATOM 686 CG GLU A 165 4.506 -8.914 4.383 1.00 1.48 C ATOM 687 CD GLU A 165 4.939 -10.314 4.779 1.00 1.70 C ATOM 688 OE1 GLU A 165 6.149 -10.511 5.031 1.00 2.17 O ATOM 689 OE2 GLU A 165 4.086 -11.226 4.832 1.00 2.21 O ATOM 0 H GLU A 165 3.917 -5.884 7.166 1.00 1.10 H new ATOM 0 HA GLU A 165 5.220 -6.330 4.537 1.00 1.01 H new ATOM 0 HB2 GLU A 165 5.184 -8.186 6.279 1.00 1.13 H new ATOM 0 HB3 GLU A 165 3.441 -8.212 6.103 1.00 1.13 H new ATOM 0 HG2 GLU A 165 3.552 -8.967 3.859 1.00 1.48 H new ATOM 0 HG3 GLU A 165 5.231 -8.497 3.684 1.00 1.48 H new ATOM 696 N LEU A 166 3.172 -5.941 3.205 1.00 0.77 N ATOM 697 CA LEU A 166 2.051 -5.465 2.411 1.00 0.65 C ATOM 698 C LEU A 166 1.111 -6.622 2.086 1.00 0.55 C ATOM 699 O LEU A 166 1.562 -7.724 1.763 1.00 0.63 O ATOM 700 CB LEU A 166 2.577 -4.826 1.119 1.00 0.71 C ATOM 701 CG LEU A 166 1.870 -3.546 0.657 1.00 0.86 C ATOM 702 CD1 LEU A 166 0.416 -3.819 0.291 1.00 1.25 C ATOM 703 CD2 LEU A 166 1.957 -2.476 1.738 1.00 1.21 C ATOM 0 H LEU A 166 4.008 -6.155 2.661 1.00 0.77 H new ATOM 0 HA LEU A 166 1.496 -4.718 2.979 1.00 0.65 H new ATOM 0 HB2 LEU A 166 3.635 -4.603 1.254 1.00 0.71 H new ATOM 0 HB3 LEU A 166 2.507 -5.563 0.319 1.00 0.71 H new ATOM 0 HG LEU A 166 2.376 -3.184 -0.238 1.00 0.86 H new ATOM 0 HD11 LEU A 166 -0.058 -2.892 -0.032 1.00 1.25 H new ATOM 0 HD12 LEU A 166 0.375 -4.549 -0.518 1.00 1.25 H new ATOM 0 HD13 LEU A 166 -0.111 -4.211 1.161 1.00 1.25 H new ATOM 0 HD21 LEU A 166 1.451 -1.573 1.397 1.00 1.21 H new ATOM 0 HD22 LEU A 166 1.479 -2.838 2.648 1.00 1.21 H new ATOM 0 HD23 LEU A 166 3.003 -2.250 1.943 1.00 1.21 H new ATOM 715 N TYR A 167 -0.189 -6.375 2.208 1.00 0.46 N ATOM 716 CA TYR A 167 -1.195 -7.371 1.868 1.00 0.38 C ATOM 717 C TYR A 167 -2.305 -6.750 1.032 1.00 0.33 C ATOM 718 O TYR A 167 -2.700 -5.601 1.262 1.00 0.45 O ATOM 719 CB TYR A 167 -1.792 -7.996 3.132 1.00 0.46 C ATOM 720 CG TYR A 167 -0.779 -8.721 3.986 1.00 0.62 C ATOM 721 CD1 TYR A 167 -0.351 -10.001 3.657 1.00 0.74 C ATOM 722 CD2 TYR A 167 -0.251 -8.126 5.118 1.00 0.79 C ATOM 723 CE1 TYR A 167 0.578 -10.661 4.435 1.00 0.94 C ATOM 724 CE2 TYR A 167 0.679 -8.780 5.899 1.00 0.97 C ATOM 725 CZ TYR A 167 1.090 -10.045 5.555 1.00 1.03 C ATOM 726 OH TYR A 167 2.021 -10.693 6.332 1.00 1.23 O ATOM 0 H TYR A 167 -0.570 -5.490 2.541 1.00 0.46 H new ATOM 0 HA TYR A 167 -0.706 -8.152 1.286 1.00 0.38 H new ATOM 0 HB2 TYR A 167 -2.262 -7.213 3.727 1.00 0.46 H new ATOM 0 HB3 TYR A 167 -2.579 -8.694 2.845 1.00 0.46 H new ATOM 0 HD1 TYR A 167 -0.751 -10.487 2.779 1.00 0.74 H new ATOM 0 HD2 TYR A 167 -0.572 -7.133 5.395 1.00 0.79 H new ATOM 0 HE1 TYR A 167 0.902 -11.656 4.167 1.00 0.94 H new ATOM 0 HE2 TYR A 167 1.083 -8.299 6.778 1.00 0.97 H new ATOM 0 HH TYR A 167 2.607 -11.231 5.760 1.00 1.23 H new ATOM 736 N CYS A 168 -2.783 -7.511 0.051 1.00 0.30 N ATOM 737 CA CYS A 168 -3.918 -7.110 -0.764 1.00 0.38 C ATOM 738 C CYS A 168 -5.156 -6.950 0.110 1.00 0.45 C ATOM 739 O CYS A 168 -5.360 -7.714 1.050 1.00 0.47 O ATOM 740 CB CYS A 168 -4.205 -8.174 -1.824 1.00 0.46 C ATOM 741 SG CYS A 168 -2.724 -8.875 -2.615 1.00 0.52 S ATOM 0 H CYS A 168 -2.393 -8.420 -0.198 1.00 0.30 H new ATOM 0 HA CYS A 168 -3.678 -6.162 -1.246 1.00 0.38 H new ATOM 0 HB2 CYS A 168 -4.772 -8.983 -1.363 1.00 0.46 H new ATOM 0 HB3 CYS A 168 -4.840 -7.738 -2.595 1.00 0.46 H new ATOM 746 N LYS A 169 -5.988 -5.967 -0.219 1.00 0.60 N ATOM 747 CA LYS A 169 -7.264 -5.778 0.468 1.00 0.72 C ATOM 748 C LYS A 169 -8.140 -7.023 0.324 1.00 0.69 C ATOM 749 O LYS A 169 -9.002 -7.289 1.159 1.00 0.75 O ATOM 750 CB LYS A 169 -8.001 -4.549 -0.079 1.00 0.94 C ATOM 751 CG LYS A 169 -8.294 -4.623 -1.569 1.00 1.57 C ATOM 752 CD LYS A 169 -9.102 -3.428 -2.049 1.00 1.97 C ATOM 753 CE LYS A 169 -10.529 -3.451 -1.523 1.00 2.66 C ATOM 754 NZ LYS A 169 -11.332 -2.320 -2.059 1.00 3.12 N ATOM 0 H LYS A 169 -5.803 -5.288 -0.957 1.00 0.60 H new ATOM 0 HA LYS A 169 -7.057 -5.615 1.526 1.00 0.72 H new ATOM 0 HB2 LYS A 169 -8.940 -4.430 0.461 1.00 0.94 H new ATOM 0 HB3 LYS A 169 -7.403 -3.660 0.121 1.00 0.94 H new ATOM 0 HG2 LYS A 169 -7.356 -4.672 -2.121 1.00 1.57 H new ATOM 0 HG3 LYS A 169 -8.840 -5.541 -1.786 1.00 1.57 H new ATOM 0 HD2 LYS A 169 -8.613 -2.508 -1.728 1.00 1.97 H new ATOM 0 HD3 LYS A 169 -9.118 -3.417 -3.139 1.00 1.97 H new ATOM 0 HE2 LYS A 169 -11.002 -4.394 -1.796 1.00 2.66 H new ATOM 0 HE3 LYS A 169 -10.516 -3.404 -0.434 1.00 2.66 H new ATOM 0 HZ1 LYS A 169 -12.299 -2.369 -1.678 1.00 3.12 H new ATOM 0 HZ2 LYS A 169 -10.894 -1.419 -1.777 1.00 3.12 H new ATOM 0 HZ3 LYS A 169 -11.365 -2.379 -3.097 1.00 3.12 H new ATOM 768 N VAL A 170 -7.908 -7.778 -0.747 1.00 0.70 N ATOM 769 CA VAL A 170 -8.655 -9.003 -1.001 1.00 0.77 C ATOM 770 C VAL A 170 -8.181 -10.113 -0.069 1.00 0.69 C ATOM 771 O VAL A 170 -8.986 -10.774 0.589 1.00 0.78 O ATOM 772 CB VAL A 170 -8.476 -9.465 -2.463 1.00 0.88 C ATOM 773 CG1 VAL A 170 -9.331 -10.689 -2.757 1.00 1.02 C ATOM 774 CG2 VAL A 170 -8.798 -8.335 -3.426 1.00 1.02 C ATOM 0 H VAL A 170 -7.206 -7.560 -1.454 1.00 0.70 H new ATOM 0 HA VAL A 170 -9.709 -8.794 -0.820 1.00 0.77 H new ATOM 0 HB VAL A 170 -7.432 -9.745 -2.604 1.00 0.88 H new ATOM 0 HG11 VAL A 170 -9.186 -10.994 -3.793 1.00 1.02 H new ATOM 0 HG12 VAL A 170 -9.039 -11.504 -2.095 1.00 1.02 H new ATOM 0 HG13 VAL A 170 -10.381 -10.447 -2.593 1.00 1.02 H new ATOM 0 HG21 VAL A 170 -8.666 -8.682 -4.451 1.00 1.02 H new ATOM 0 HG22 VAL A 170 -9.830 -8.017 -3.281 1.00 1.02 H new ATOM 0 HG23 VAL A 170 -8.129 -7.495 -3.238 1.00 1.02 H new ATOM 784 N CYS A 171 -6.869 -10.289 0.001 1.00 0.58 N ATOM 785 CA CYS A 171 -6.267 -11.299 0.854 1.00 0.59 C ATOM 786 C CYS A 171 -6.425 -10.930 2.324 1.00 0.57 C ATOM 787 O CYS A 171 -6.512 -11.799 3.192 1.00 0.66 O ATOM 788 CB CYS A 171 -4.801 -11.462 0.465 1.00 0.58 C ATOM 789 SG CYS A 171 -4.603 -11.865 -1.300 1.00 0.80 S ATOM 0 H CYS A 171 -6.196 -9.737 -0.530 1.00 0.58 H new ATOM 0 HA CYS A 171 -6.776 -12.253 0.713 1.00 0.59 H new ATOM 0 HB2 CYS A 171 -4.262 -10.541 0.689 1.00 0.58 H new ATOM 0 HB3 CYS A 171 -4.351 -12.250 1.069 1.00 0.58 H new ATOM 794 N TYR A 172 -6.469 -9.634 2.595 1.00 0.51 N ATOM 795 CA TYR A 172 -6.738 -9.133 3.933 1.00 0.59 C ATOM 796 C TYR A 172 -8.111 -9.610 4.402 1.00 0.67 C ATOM 797 O TYR A 172 -8.251 -10.146 5.501 1.00 0.76 O ATOM 798 CB TYR A 172 -6.675 -7.602 3.939 1.00 0.65 C ATOM 799 CG TYR A 172 -6.793 -6.984 5.315 1.00 0.89 C ATOM 800 CD1 TYR A 172 -5.701 -6.937 6.170 1.00 1.29 C ATOM 801 CD2 TYR A 172 -7.994 -6.440 5.753 1.00 1.24 C ATOM 802 CE1 TYR A 172 -5.802 -6.373 7.426 1.00 1.57 C ATOM 803 CE2 TYR A 172 -8.102 -5.871 7.008 1.00 1.45 C ATOM 804 CZ TYR A 172 -7.002 -5.839 7.838 1.00 1.48 C ATOM 805 OH TYR A 172 -7.102 -5.270 9.085 1.00 1.78 O ATOM 0 H TYR A 172 -6.320 -8.905 1.898 1.00 0.51 H new ATOM 0 HA TYR A 172 -5.982 -9.518 4.618 1.00 0.59 H new ATOM 0 HB2 TYR A 172 -5.733 -7.286 3.490 1.00 0.65 H new ATOM 0 HB3 TYR A 172 -7.475 -7.214 3.308 1.00 0.65 H new ATOM 0 HD1 TYR A 172 -4.756 -7.349 5.847 1.00 1.29 H new ATOM 0 HD2 TYR A 172 -8.856 -6.462 5.103 1.00 1.24 H new ATOM 0 HE1 TYR A 172 -4.944 -6.351 8.082 1.00 1.57 H new ATOM 0 HE2 TYR A 172 -9.043 -5.454 7.336 1.00 1.45 H new ATOM 0 HH TYR A 172 -8.014 -4.939 9.221 1.00 1.78 H new ATOM 815 N ALA A 173 -9.111 -9.438 3.547 1.00 0.72 N ATOM 816 CA ALA A 173 -10.475 -9.854 3.855 1.00 0.87 C ATOM 817 C ALA A 173 -10.576 -11.374 3.982 1.00 0.91 C ATOM 818 O ALA A 173 -11.475 -11.897 4.633 1.00 1.05 O ATOM 819 CB ALA A 173 -11.433 -9.347 2.789 1.00 1.05 C ATOM 0 H ALA A 173 -9.002 -9.010 2.628 1.00 0.72 H new ATOM 0 HA ALA A 173 -10.751 -9.419 4.815 1.00 0.87 H new ATOM 0 HB1 ALA A 173 -12.447 -9.664 3.031 1.00 1.05 H new ATOM 0 HB2 ALA A 173 -11.393 -8.258 2.752 1.00 1.05 H new ATOM 0 HB3 ALA A 173 -11.147 -9.754 1.819 1.00 1.05 H new ATOM 825 N LYS A 174 -9.659 -12.078 3.336 1.00 0.89 N ATOM 826 CA LYS A 174 -9.623 -13.533 3.412 1.00 1.06 C ATOM 827 C LYS A 174 -8.935 -14.000 4.697 1.00 1.08 C ATOM 828 O LYS A 174 -9.436 -14.883 5.394 1.00 1.27 O ATOM 829 CB LYS A 174 -8.901 -14.106 2.186 1.00 1.17 C ATOM 830 CG LYS A 174 -8.733 -15.618 2.221 1.00 1.67 C ATOM 831 CD LYS A 174 -10.071 -16.337 2.193 1.00 2.21 C ATOM 832 CE LYS A 174 -10.771 -16.172 0.854 1.00 2.63 C ATOM 833 NZ LYS A 174 -12.055 -16.920 0.807 1.00 3.36 N ATOM 0 H LYS A 174 -8.930 -11.667 2.753 1.00 0.89 H new ATOM 0 HA LYS A 174 -10.649 -13.899 3.426 1.00 1.06 H new ATOM 0 HB2 LYS A 174 -9.456 -13.833 1.289 1.00 1.17 H new ATOM 0 HB3 LYS A 174 -7.918 -13.643 2.106 1.00 1.17 H new ATOM 0 HG2 LYS A 174 -8.132 -15.936 1.369 1.00 1.67 H new ATOM 0 HG3 LYS A 174 -8.187 -15.902 3.121 1.00 1.67 H new ATOM 0 HD2 LYS A 174 -9.919 -17.397 2.396 1.00 2.21 H new ATOM 0 HD3 LYS A 174 -10.709 -15.949 2.987 1.00 2.21 H new ATOM 0 HE2 LYS A 174 -10.959 -15.114 0.670 1.00 2.63 H new ATOM 0 HE3 LYS A 174 -10.117 -16.523 0.056 1.00 2.63 H new ATOM 0 HZ1 LYS A 174 -12.503 -16.783 -0.122 1.00 3.36 H new ATOM 0 HZ2 LYS A 174 -11.872 -17.933 0.957 1.00 3.36 H new ATOM 0 HZ3 LYS A 174 -12.689 -16.568 1.552 1.00 3.36 H new ATOM 847 N ASN A 175 -7.794 -13.396 5.003 1.00 1.04 N ATOM 848 CA ASN A 175 -6.967 -13.826 6.132 1.00 1.24 C ATOM 849 C ASN A 175 -7.490 -13.280 7.463 1.00 1.33 C ATOM 850 O ASN A 175 -7.516 -13.991 8.467 1.00 1.56 O ATOM 851 CB ASN A 175 -5.519 -13.368 5.912 1.00 1.47 C ATOM 852 CG ASN A 175 -4.550 -13.912 6.949 1.00 1.90 C ATOM 853 OD1 ASN A 175 -4.734 -15.006 7.485 1.00 2.65 O ATOM 854 ND2 ASN A 175 -3.499 -13.154 7.228 1.00 2.25 N ATOM 0 H ASN A 175 -7.416 -12.603 4.485 1.00 1.04 H new ATOM 0 HA ASN A 175 -7.009 -14.914 6.184 1.00 1.24 H new ATOM 0 HB2 ASN A 175 -5.193 -13.682 4.921 1.00 1.47 H new ATOM 0 HB3 ASN A 175 -5.484 -12.279 5.929 1.00 1.47 H new ATOM 0 HD21 ASN A 175 -2.808 -13.471 7.908 1.00 2.25 H new ATOM 0 HD22 ASN A 175 -3.382 -12.254 6.763 1.00 2.25 H new ATOM 861 N PHE A 176 -7.904 -12.021 7.470 1.00 1.30 N ATOM 862 CA PHE A 176 -8.366 -11.377 8.697 1.00 1.58 C ATOM 863 C PHE A 176 -9.889 -11.339 8.760 1.00 2.55 C ATOM 864 O PHE A 176 -10.477 -11.192 9.835 1.00 3.04 O ATOM 865 CB PHE A 176 -7.805 -9.955 8.799 1.00 1.55 C ATOM 866 CG PHE A 176 -6.306 -9.902 8.900 1.00 2.24 C ATOM 867 CD1 PHE A 176 -5.519 -9.965 7.762 1.00 2.85 C ATOM 868 CD2 PHE A 176 -5.688 -9.787 10.133 1.00 2.73 C ATOM 869 CE1 PHE A 176 -4.142 -9.912 7.853 1.00 3.93 C ATOM 870 CE2 PHE A 176 -4.313 -9.734 10.230 1.00 3.72 C ATOM 871 CZ PHE A 176 -3.537 -9.799 9.090 1.00 4.32 C ATOM 0 H PHE A 176 -7.931 -11.424 6.643 1.00 1.30 H new ATOM 0 HA PHE A 176 -8.002 -11.966 9.539 1.00 1.58 H new ATOM 0 HB2 PHE A 176 -8.122 -9.386 7.925 1.00 1.55 H new ATOM 0 HB3 PHE A 176 -8.237 -9.465 9.672 1.00 1.55 H new ATOM 0 HD1 PHE A 176 -5.987 -10.057 6.793 1.00 2.85 H new ATOM 0 HD2 PHE A 176 -6.289 -9.738 11.029 1.00 2.73 H new ATOM 0 HE1 PHE A 176 -3.539 -9.959 6.958 1.00 3.93 H new ATOM 0 HE2 PHE A 176 -3.843 -9.642 11.198 1.00 3.72 H new ATOM 0 HZ PHE A 176 -2.460 -9.762 9.165 1.00 4.32 H new TER 881 PHE A 176 HETATM 882 ZN ZN A 190 -2.577 -11.113 -2.070 1.00 0.51 ZN HETATM 883 ZN ZN A 191 10.784 -4.697 -4.729 1.00 0.75 ZN