USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=21 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 Set 1.1: A 156 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 157 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 147 CYS SG : rot -77:sc= -2.1! USER MOD Set 2.2: A 150 CYS SG : rot -116:sc= -5.26! USER MOD Set 2.3: A 168 CYS SG : rot 72:sc= -2.6! USER MOD Set 2.4: A 171 CYS SG : rot 127:sc= 0.408 USER MOD Set 3.1: A 120 CYS SG : rot 140:sc= 0.291! USER MOD Set 3.2: A 123 CYS SG : rot 70:sc= 0.231 USER MOD Set 3.3: A 141 HIS : +bothHN:sc= -3.56! C(o=-6!,f=-9.3!) USER MOD Set 3.4: A 144 CYS SG : rot -11:sc= -2.99! USER MOD Single : A 119 LYS NZ :NH3+ -146:sc= 0.2 (180deg=-0.00366) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 180:sc= 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 162:sc= -0.122 (180deg=-0.559) USER MOD Single : A 138 LYS NZ :NH3+ -125:sc= -0.946 (180deg=-2.99!) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 SER OG : rot 37:sc= 0.0448 USER MOD Single : A 158 ASN : amide:sc= -1.95! C(o=-2!,f=-7!) USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 162 LYS NZ :NH3+ -173:sc= 1.31 (180deg=1.13) USER MOD Single : A 167 TYR OH : rot 27:sc= 0.861 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= -0.114 K(o=-0.11,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 119 13.308 4.151 -0.055 1.00 0.89 N ATOM 2 CA LYS A 119 13.999 2.903 -0.322 1.00 0.80 C ATOM 3 C LYS A 119 13.113 1.709 0.018 1.00 0.78 C ATOM 4 O LYS A 119 12.513 1.647 1.093 1.00 0.90 O ATOM 5 CB LYS A 119 15.299 2.849 0.486 1.00 0.93 C ATOM 6 CG LYS A 119 16.078 1.548 0.345 1.00 1.51 C ATOM 7 CD LYS A 119 17.328 1.570 1.209 1.00 1.54 C ATOM 8 CE LYS A 119 17.995 0.203 1.283 1.00 2.16 C ATOM 9 NZ LYS A 119 18.773 -0.115 0.059 1.00 2.76 N ATOM 0 HA LYS A 119 14.236 2.855 -1.385 1.00 0.80 H new ATOM 0 HB2 LYS A 119 15.939 3.676 0.177 1.00 0.93 H new ATOM 0 HB3 LYS A 119 15.064 3.004 1.539 1.00 0.93 H new ATOM 0 HG2 LYS A 119 15.446 0.708 0.633 1.00 1.51 H new ATOM 0 HG3 LYS A 119 16.354 1.396 -0.698 1.00 1.51 H new ATOM 0 HD2 LYS A 119 18.034 2.296 0.807 1.00 1.54 H new ATOM 0 HD3 LYS A 119 17.068 1.901 2.214 1.00 1.54 H new ATOM 0 HE2 LYS A 119 18.656 0.171 2.149 1.00 2.16 H new ATOM 0 HE3 LYS A 119 17.233 -0.562 1.435 1.00 2.16 H new ATOM 0 HZ1 LYS A 119 18.719 -1.136 -0.131 1.00 2.76 H new ATOM 0 HZ2 LYS A 119 18.379 0.409 -0.749 1.00 2.76 H new ATOM 0 HZ3 LYS A 119 19.767 0.159 0.198 1.00 2.76 H new ATOM 23 N CYS A 120 13.047 0.770 -0.915 1.00 0.70 N ATOM 24 CA CYS A 120 12.276 -0.447 -0.757 1.00 0.72 C ATOM 25 C CYS A 120 12.999 -1.432 0.156 1.00 0.76 C ATOM 26 O CYS A 120 14.142 -1.827 -0.120 1.00 0.80 O ATOM 27 CB CYS A 120 12.035 -1.083 -2.126 1.00 0.67 C ATOM 28 SG CYS A 120 11.598 -2.849 -2.077 1.00 0.74 S ATOM 0 H CYS A 120 13.533 0.836 -1.810 1.00 0.70 H new ATOM 0 HA CYS A 120 11.319 -0.196 -0.299 1.00 0.72 H new ATOM 0 HB2 CYS A 120 11.236 -0.539 -2.629 1.00 0.67 H new ATOM 0 HB3 CYS A 120 12.933 -0.961 -2.731 1.00 0.67 H new ATOM 0 HG CYS A 120 10.666 -3.090 -2.951 1.00 0.74 H new ATOM 33 N PRO A 121 12.334 -1.840 1.250 1.00 0.79 N ATOM 34 CA PRO A 121 12.860 -2.810 2.204 1.00 0.87 C ATOM 35 C PRO A 121 12.608 -4.246 1.761 1.00 0.90 C ATOM 36 O PRO A 121 12.938 -5.199 2.471 1.00 1.00 O ATOM 37 CB PRO A 121 12.077 -2.515 3.494 1.00 0.96 C ATOM 38 CG PRO A 121 11.079 -1.448 3.153 1.00 1.00 C ATOM 39 CD PRO A 121 11.007 -1.374 1.654 1.00 0.82 C ATOM 0 HA PRO A 121 13.941 -2.721 2.314 1.00 0.87 H new ATOM 0 HB2 PRO A 121 11.576 -3.412 3.857 1.00 0.96 H new ATOM 0 HB3 PRO A 121 12.747 -2.181 4.286 1.00 0.96 H new ATOM 0 HG2 PRO A 121 10.102 -1.685 3.574 1.00 1.00 H new ATOM 0 HG3 PRO A 121 11.382 -0.489 3.572 1.00 1.00 H new ATOM 0 HD2 PRO A 121 10.215 -2.007 1.254 1.00 0.82 H new ATOM 0 HD3 PRO A 121 10.810 -0.360 1.307 1.00 0.82 H new ATOM 47 N ARG A 122 12.015 -4.397 0.589 1.00 0.86 N ATOM 48 CA ARG A 122 11.717 -5.711 0.050 1.00 0.94 C ATOM 49 C ARG A 122 12.909 -6.210 -0.750 1.00 0.90 C ATOM 50 O ARG A 122 13.513 -7.231 -0.418 1.00 1.05 O ATOM 51 CB ARG A 122 10.473 -5.650 -0.842 1.00 0.98 C ATOM 52 CG ARG A 122 9.832 -7.000 -1.100 1.00 0.97 C ATOM 53 CD ARG A 122 9.393 -7.643 0.201 1.00 1.11 C ATOM 54 NE ARG A 122 8.526 -8.797 -0.008 1.00 1.54 N ATOM 55 CZ ARG A 122 7.990 -9.493 0.989 1.00 1.95 C ATOM 56 NH1 ARG A 122 8.294 -9.186 2.245 1.00 2.03 N ATOM 57 NH2 ARG A 122 7.156 -10.500 0.736 1.00 2.82 N ATOM 0 H ARG A 122 11.730 -3.622 -0.009 1.00 0.86 H new ATOM 0 HA ARG A 122 11.519 -6.399 0.872 1.00 0.94 H new ATOM 0 HB2 ARG A 122 9.738 -4.993 -0.378 1.00 0.98 H new ATOM 0 HB3 ARG A 122 10.745 -5.200 -1.797 1.00 0.98 H new ATOM 0 HG2 ARG A 122 8.973 -6.880 -1.760 1.00 0.97 H new ATOM 0 HG3 ARG A 122 10.539 -7.652 -1.613 1.00 0.97 H new ATOM 0 HD2 ARG A 122 10.273 -7.952 0.764 1.00 1.11 H new ATOM 0 HD3 ARG A 122 8.869 -6.905 0.808 1.00 1.11 H new ATOM 0 HE ARG A 122 8.321 -9.084 -0.965 1.00 1.54 H new ATOM 0 HH11 ARG A 122 8.937 -8.419 2.441 1.00 2.03 H new ATOM 0 HH12 ARG A 122 7.885 -9.718 3.013 1.00 2.03 H new ATOM 0 HH21 ARG A 122 6.925 -10.741 -0.228 1.00 2.82 H new ATOM 0 HH22 ARG A 122 6.748 -11.030 1.506 1.00 2.82 H new ATOM 71 N CYS A 123 13.264 -5.455 -1.777 1.00 0.76 N ATOM 72 CA CYS A 123 14.350 -5.833 -2.665 1.00 0.78 C ATOM 73 C CYS A 123 15.672 -5.227 -2.195 1.00 0.76 C ATOM 74 O CYS A 123 16.752 -5.671 -2.591 1.00 0.86 O ATOM 75 CB CYS A 123 14.029 -5.368 -4.084 1.00 0.77 C ATOM 76 SG CYS A 123 12.279 -5.593 -4.546 1.00 0.88 S ATOM 0 H CYS A 123 12.813 -4.572 -2.017 1.00 0.76 H new ATOM 0 HA CYS A 123 14.455 -6.918 -2.653 1.00 0.78 H new ATOM 0 HB2 CYS A 123 14.289 -4.314 -4.180 1.00 0.77 H new ATOM 0 HB3 CYS A 123 14.656 -5.916 -4.788 1.00 0.77 H new ATOM 0 HG CYS A 123 11.542 -4.762 -3.871 1.00 0.88 H new ATOM 81 N GLY A 124 15.573 -4.211 -1.342 1.00 0.70 N ATOM 82 CA GLY A 124 16.758 -3.555 -0.825 1.00 0.73 C ATOM 83 C GLY A 124 17.289 -2.501 -1.774 1.00 0.71 C ATOM 84 O GLY A 124 18.501 -2.298 -1.873 1.00 0.85 O ATOM 0 H GLY A 124 14.690 -3.831 -1.000 1.00 0.70 H new ATOM 0 HA2 GLY A 124 16.526 -3.093 0.135 1.00 0.73 H new ATOM 0 HA3 GLY A 124 17.533 -4.300 -0.642 1.00 0.73 H new ATOM 88 N LYS A 125 16.383 -1.805 -2.448 1.00 0.61 N ATOM 89 CA LYS A 125 16.765 -0.823 -3.465 1.00 0.61 C ATOM 90 C LYS A 125 15.882 0.409 -3.375 1.00 0.57 C ATOM 91 O LYS A 125 14.723 0.315 -2.991 1.00 0.60 O ATOM 92 CB LYS A 125 16.666 -1.413 -4.877 1.00 0.63 C ATOM 93 CG LYS A 125 17.683 -2.504 -5.172 1.00 1.30 C ATOM 94 CD LYS A 125 17.772 -2.795 -6.665 1.00 1.71 C ATOM 95 CE LYS A 125 18.230 -1.568 -7.439 1.00 2.44 C ATOM 96 NZ LYS A 125 18.387 -1.842 -8.892 1.00 2.99 N ATOM 0 H LYS A 125 15.377 -1.899 -2.312 1.00 0.61 H new ATOM 0 HA LYS A 125 17.801 -0.544 -3.274 1.00 0.61 H new ATOM 0 HB2 LYS A 125 15.664 -1.818 -5.019 1.00 0.63 H new ATOM 0 HB3 LYS A 125 16.791 -0.610 -5.603 1.00 0.63 H new ATOM 0 HG2 LYS A 125 18.662 -2.201 -4.800 1.00 1.30 H new ATOM 0 HG3 LYS A 125 17.407 -3.414 -4.639 1.00 1.30 H new ATOM 0 HD2 LYS A 125 18.467 -3.617 -6.837 1.00 1.71 H new ATOM 0 HD3 LYS A 125 16.799 -3.118 -7.034 1.00 1.71 H new ATOM 0 HE2 LYS A 125 17.508 -0.763 -7.299 1.00 2.44 H new ATOM 0 HE3 LYS A 125 19.179 -1.219 -7.033 1.00 2.44 H new ATOM 0 HZ1 LYS A 125 18.700 -0.977 -9.377 1.00 2.99 H new ATOM 0 HZ2 LYS A 125 19.095 -2.591 -9.029 1.00 2.99 H new ATOM 0 HZ3 LYS A 125 17.476 -2.150 -9.288 1.00 2.99 H new ATOM 110 N SER A 126 16.429 1.554 -3.744 1.00 0.66 N ATOM 111 CA SER A 126 15.715 2.817 -3.629 1.00 0.68 C ATOM 112 C SER A 126 14.537 2.885 -4.604 1.00 0.57 C ATOM 113 O SER A 126 14.504 2.169 -5.613 1.00 0.66 O ATOM 114 CB SER A 126 16.672 3.980 -3.882 1.00 0.89 C ATOM 115 OG SER A 126 17.745 3.962 -2.951 1.00 1.37 O ATOM 0 H SER A 126 17.370 1.637 -4.128 1.00 0.66 H new ATOM 0 HA SER A 126 15.316 2.888 -2.617 1.00 0.68 H new ATOM 0 HB2 SER A 126 17.064 3.920 -4.897 1.00 0.89 H new ATOM 0 HB3 SER A 126 16.133 4.924 -3.804 1.00 0.89 H new ATOM 0 HG SER A 126 18.347 4.714 -3.131 1.00 1.37 H new ATOM 121 N VAL A 127 13.568 3.733 -4.286 1.00 0.52 N ATOM 122 CA VAL A 127 12.408 3.944 -5.144 1.00 0.45 C ATOM 123 C VAL A 127 12.168 5.433 -5.307 1.00 0.58 C ATOM 124 O VAL A 127 12.377 6.201 -4.371 1.00 0.80 O ATOM 125 CB VAL A 127 11.119 3.315 -4.563 1.00 0.50 C ATOM 126 CG1 VAL A 127 10.010 3.309 -5.603 1.00 0.63 C ATOM 127 CG2 VAL A 127 11.373 1.914 -4.039 1.00 0.71 C ATOM 0 H VAL A 127 13.563 4.291 -3.432 1.00 0.52 H new ATOM 0 HA VAL A 127 12.626 3.464 -6.098 1.00 0.45 H new ATOM 0 HB VAL A 127 10.800 3.929 -3.721 1.00 0.50 H new ATOM 0 HG11 VAL A 127 9.112 2.863 -5.175 1.00 0.63 H new ATOM 0 HG12 VAL A 127 9.795 4.332 -5.912 1.00 0.63 H new ATOM 0 HG13 VAL A 127 10.327 2.728 -6.469 1.00 0.63 H new ATOM 0 HG21 VAL A 127 10.447 1.502 -3.638 1.00 0.71 H new ATOM 0 HG22 VAL A 127 11.730 1.281 -4.851 1.00 0.71 H new ATOM 0 HG23 VAL A 127 12.125 1.951 -3.251 1.00 0.71 H new ATOM 137 N TYR A 128 11.731 5.853 -6.485 1.00 0.60 N ATOM 138 CA TYR A 128 11.421 7.250 -6.693 1.00 0.78 C ATOM 139 C TYR A 128 10.047 7.402 -7.341 1.00 0.58 C ATOM 140 O TYR A 128 9.381 6.406 -7.609 1.00 0.48 O ATOM 141 CB TYR A 128 12.505 7.944 -7.522 1.00 1.14 C ATOM 142 CG TYR A 128 12.581 9.424 -7.243 1.00 2.06 C ATOM 143 CD1 TYR A 128 12.380 9.932 -5.969 1.00 2.80 C ATOM 144 CD2 TYR A 128 12.875 10.310 -8.266 1.00 2.76 C ATOM 145 CE1 TYR A 128 12.472 11.289 -5.723 1.00 3.75 C ATOM 146 CE2 TYR A 128 12.966 11.661 -8.034 1.00 3.69 C ATOM 147 CZ TYR A 128 12.674 12.143 -6.701 1.00 4.06 C ATOM 148 OH TYR A 128 12.867 13.498 -6.524 1.00 5.08 O ATOM 0 H TYR A 128 11.586 5.253 -7.297 1.00 0.60 H new ATOM 0 HA TYR A 128 11.394 7.739 -5.719 1.00 0.78 H new ATOM 0 HB2 TYR A 128 13.471 7.486 -7.308 1.00 1.14 H new ATOM 0 HB3 TYR A 128 12.305 7.786 -8.582 1.00 1.14 H new ATOM 0 HD1 TYR A 128 12.148 9.258 -5.157 1.00 2.80 H new ATOM 0 HD2 TYR A 128 13.036 9.932 -9.265 1.00 2.76 H new ATOM 0 HE1 TYR A 128 12.376 11.653 -4.711 1.00 3.75 H new ATOM 0 HE2 TYR A 128 13.247 12.343 -8.823 1.00 3.69 H new ATOM 0 HH TYR A 128 12.998 13.926 -7.396 1.00 5.08 H new ATOM 158 N ALA A 129 9.656 8.650 -7.597 1.00 0.69 N ATOM 159 CA ALA A 129 8.292 9.013 -7.995 1.00 0.74 C ATOM 160 C ALA A 129 7.711 8.124 -9.093 1.00 0.75 C ATOM 161 O ALA A 129 6.538 7.752 -9.026 1.00 0.87 O ATOM 162 CB ALA A 129 8.263 10.461 -8.444 1.00 0.95 C ATOM 0 H ALA A 129 10.285 9.450 -7.533 1.00 0.69 H new ATOM 0 HA ALA A 129 7.665 8.865 -7.116 1.00 0.74 H new ATOM 0 HB1 ALA A 129 7.249 10.730 -8.740 1.00 0.95 H new ATOM 0 HB2 ALA A 129 8.584 11.103 -7.624 1.00 0.95 H new ATOM 0 HB3 ALA A 129 8.935 10.593 -9.292 1.00 0.95 H new ATOM 168 N ALA A 130 8.526 7.789 -10.087 1.00 0.80 N ATOM 169 CA ALA A 130 8.066 7.017 -11.246 1.00 1.00 C ATOM 170 C ALA A 130 7.407 5.701 -10.837 1.00 0.91 C ATOM 171 O ALA A 130 6.444 5.265 -11.468 1.00 1.16 O ATOM 172 CB ALA A 130 9.225 6.750 -12.194 1.00 1.21 C ATOM 0 H ALA A 130 9.514 8.039 -10.117 1.00 0.80 H new ATOM 0 HA ALA A 130 7.311 7.616 -11.756 1.00 1.00 H new ATOM 0 HB1 ALA A 130 8.870 6.176 -13.050 1.00 1.21 H new ATOM 0 HB2 ALA A 130 9.639 7.698 -12.539 1.00 1.21 H new ATOM 0 HB3 ALA A 130 9.998 6.185 -11.673 1.00 1.21 H new ATOM 178 N GLU A 131 7.918 5.085 -9.777 1.00 0.68 N ATOM 179 CA GLU A 131 7.396 3.804 -9.309 1.00 0.65 C ATOM 180 C GLU A 131 6.969 3.892 -7.845 1.00 0.46 C ATOM 181 O GLU A 131 6.704 2.876 -7.212 1.00 0.50 O ATOM 182 CB GLU A 131 8.454 2.703 -9.470 1.00 0.87 C ATOM 183 CG GLU A 131 8.802 2.376 -10.916 1.00 1.41 C ATOM 184 CD GLU A 131 7.648 1.743 -11.668 1.00 1.70 C ATOM 185 OE1 GLU A 131 7.380 0.543 -11.463 1.00 1.99 O ATOM 186 OE2 GLU A 131 6.991 2.452 -12.459 1.00 2.44 O ATOM 0 H GLU A 131 8.693 5.451 -9.225 1.00 0.68 H new ATOM 0 HA GLU A 131 6.524 3.557 -9.915 1.00 0.65 H new ATOM 0 HB2 GLU A 131 9.362 3.009 -8.950 1.00 0.87 H new ATOM 0 HB3 GLU A 131 8.096 1.797 -8.981 1.00 0.87 H new ATOM 0 HG2 GLU A 131 9.106 3.289 -11.427 1.00 1.41 H new ATOM 0 HG3 GLU A 131 9.657 1.700 -10.935 1.00 1.41 H new ATOM 193 N LYS A 132 6.896 5.110 -7.318 1.00 0.44 N ATOM 194 CA LYS A 132 6.591 5.321 -5.908 1.00 0.42 C ATOM 195 C LYS A 132 5.161 4.897 -5.558 1.00 0.44 C ATOM 196 O LYS A 132 4.215 5.682 -5.666 1.00 0.58 O ATOM 197 CB LYS A 132 6.818 6.794 -5.514 1.00 0.55 C ATOM 198 CG LYS A 132 6.391 7.124 -4.092 1.00 0.65 C ATOM 199 CD LYS A 132 6.498 8.612 -3.804 1.00 1.05 C ATOM 200 CE LYS A 132 7.920 9.119 -3.974 1.00 1.58 C ATOM 201 NZ LYS A 132 8.034 10.559 -3.630 1.00 2.18 N ATOM 0 H LYS A 132 7.045 5.968 -7.849 1.00 0.44 H new ATOM 0 HA LYS A 132 7.273 4.690 -5.337 1.00 0.42 H new ATOM 0 HB2 LYS A 132 7.875 7.032 -5.630 1.00 0.55 H new ATOM 0 HB3 LYS A 132 6.269 7.434 -6.205 1.00 0.55 H new ATOM 0 HG2 LYS A 132 5.363 6.796 -3.935 1.00 0.65 H new ATOM 0 HG3 LYS A 132 7.013 6.571 -3.388 1.00 0.65 H new ATOM 0 HD2 LYS A 132 5.834 9.160 -4.473 1.00 1.05 H new ATOM 0 HD3 LYS A 132 6.161 8.810 -2.787 1.00 1.05 H new ATOM 0 HE2 LYS A 132 8.591 8.539 -3.341 1.00 1.58 H new ATOM 0 HE3 LYS A 132 8.241 8.964 -5.004 1.00 1.58 H new ATOM 0 HZ1 LYS A 132 9.018 10.870 -3.758 1.00 2.18 H new ATOM 0 HZ2 LYS A 132 7.412 11.115 -4.251 1.00 2.18 H new ATOM 0 HZ3 LYS A 132 7.752 10.703 -2.639 1.00 2.18 H new ATOM 215 N VAL A 133 5.014 3.645 -5.162 1.00 0.39 N ATOM 216 CA VAL A 133 3.779 3.163 -4.562 1.00 0.44 C ATOM 217 C VAL A 133 3.967 3.084 -3.055 1.00 0.44 C ATOM 218 O VAL A 133 4.745 2.279 -2.552 1.00 0.50 O ATOM 219 CB VAL A 133 3.349 1.796 -5.140 1.00 0.49 C ATOM 220 CG1 VAL A 133 2.717 1.982 -6.510 1.00 1.02 C ATOM 221 CG2 VAL A 133 4.531 0.847 -5.240 1.00 0.88 C ATOM 0 H VAL A 133 5.742 2.936 -5.246 1.00 0.39 H new ATOM 0 HA VAL A 133 2.977 3.862 -4.798 1.00 0.44 H new ATOM 0 HB VAL A 133 2.616 1.359 -4.462 1.00 0.49 H new ATOM 0 HG11 VAL A 133 2.418 1.012 -6.907 1.00 1.02 H new ATOM 0 HG12 VAL A 133 1.841 2.624 -6.422 1.00 1.02 H new ATOM 0 HG13 VAL A 133 3.439 2.443 -7.184 1.00 1.02 H new ATOM 0 HG21 VAL A 133 4.198 -0.107 -5.650 1.00 0.88 H new ATOM 0 HG22 VAL A 133 5.289 1.278 -5.894 1.00 0.88 H new ATOM 0 HG23 VAL A 133 4.955 0.688 -4.248 1.00 0.88 H new ATOM 231 N MET A 134 3.275 3.955 -2.343 1.00 0.54 N ATOM 232 CA MET A 134 3.561 4.185 -0.933 1.00 0.60 C ATOM 233 C MET A 134 2.922 3.138 -0.027 1.00 0.57 C ATOM 234 O MET A 134 1.796 3.310 0.441 1.00 0.75 O ATOM 235 CB MET A 134 3.095 5.588 -0.532 1.00 0.83 C ATOM 236 CG MET A 134 3.799 6.696 -1.298 1.00 1.14 C ATOM 237 SD MET A 134 3.117 8.331 -0.960 1.00 1.65 S ATOM 238 CE MET A 134 3.510 8.524 0.777 1.00 1.78 C ATOM 0 H MET A 134 2.510 4.517 -2.716 1.00 0.54 H new ATOM 0 HA MET A 134 4.640 4.101 -0.802 1.00 0.60 H new ATOM 0 HB2 MET A 134 2.020 5.668 -0.697 1.00 0.83 H new ATOM 0 HB3 MET A 134 3.265 5.729 0.535 1.00 0.83 H new ATOM 0 HG2 MET A 134 4.858 6.690 -1.042 1.00 1.14 H new ATOM 0 HG3 MET A 134 3.728 6.493 -2.367 1.00 1.14 H new ATOM 0 HE1 MET A 134 3.448 9.578 1.049 1.00 1.78 H new ATOM 0 HE2 MET A 134 2.801 7.952 1.376 1.00 1.78 H new ATOM 0 HE3 MET A 134 4.520 8.160 0.964 1.00 1.78 H new ATOM 248 N GLY A 135 3.644 2.049 0.216 1.00 0.50 N ATOM 249 CA GLY A 135 3.222 1.097 1.220 1.00 0.61 C ATOM 250 C GLY A 135 3.559 1.592 2.612 1.00 0.70 C ATOM 251 O GLY A 135 4.733 1.705 2.971 1.00 0.77 O ATOM 0 H GLY A 135 4.512 1.811 -0.265 1.00 0.50 H new ATOM 0 HA2 GLY A 135 2.148 0.930 1.139 1.00 0.61 H new ATOM 0 HA3 GLY A 135 3.708 0.137 1.044 1.00 0.61 H new ATOM 255 N GLY A 136 2.534 1.953 3.372 1.00 0.85 N ATOM 256 CA GLY A 136 2.737 2.440 4.723 1.00 1.03 C ATOM 257 C GLY A 136 3.132 3.903 4.758 1.00 1.08 C ATOM 258 O GLY A 136 3.040 4.557 5.799 1.00 1.72 O ATOM 0 H GLY A 136 1.559 1.917 3.075 1.00 0.85 H new ATOM 0 HA2 GLY A 136 1.822 2.300 5.298 1.00 1.03 H new ATOM 0 HA3 GLY A 136 3.512 1.846 5.208 1.00 1.03 H new ATOM 262 N GLY A 137 3.560 4.420 3.616 1.00 0.94 N ATOM 263 CA GLY A 137 4.020 5.790 3.544 1.00 0.98 C ATOM 264 C GLY A 137 5.372 5.899 2.869 1.00 0.87 C ATOM 265 O GLY A 137 5.884 6.996 2.654 1.00 1.04 O ATOM 0 H GLY A 137 3.597 3.911 2.733 1.00 0.94 H new ATOM 0 HA2 GLY A 137 3.292 6.389 2.997 1.00 0.98 H new ATOM 0 HA3 GLY A 137 4.082 6.205 4.550 1.00 0.98 H new ATOM 269 N LYS A 138 5.953 4.754 2.532 1.00 0.71 N ATOM 270 CA LYS A 138 7.243 4.722 1.852 1.00 0.71 C ATOM 271 C LYS A 138 7.083 4.135 0.455 1.00 0.53 C ATOM 272 O LYS A 138 6.266 3.240 0.249 1.00 0.52 O ATOM 273 CB LYS A 138 8.249 3.899 2.664 1.00 0.92 C ATOM 274 CG LYS A 138 7.791 2.481 2.957 1.00 1.15 C ATOM 275 CD LYS A 138 8.780 1.717 3.828 1.00 1.46 C ATOM 276 CE LYS A 138 8.886 2.300 5.231 1.00 2.11 C ATOM 277 NZ LYS A 138 9.837 3.445 5.306 1.00 2.69 N ATOM 0 H LYS A 138 5.552 3.835 2.718 1.00 0.71 H new ATOM 0 HA LYS A 138 7.620 5.741 1.762 1.00 0.71 H new ATOM 0 HB2 LYS A 138 9.194 3.860 2.121 1.00 0.92 H new ATOM 0 HB3 LYS A 138 8.444 4.409 3.607 1.00 0.92 H new ATOM 0 HG2 LYS A 138 6.822 2.511 3.454 1.00 1.15 H new ATOM 0 HG3 LYS A 138 7.651 1.946 2.017 1.00 1.15 H new ATOM 0 HD2 LYS A 138 8.472 0.673 3.893 1.00 1.46 H new ATOM 0 HD3 LYS A 138 9.762 1.731 3.356 1.00 1.46 H new ATOM 0 HE2 LYS A 138 7.900 2.629 5.559 1.00 2.11 H new ATOM 0 HE3 LYS A 138 9.207 1.520 5.921 1.00 2.11 H new ATOM 0 HZ1 LYS A 138 10.550 3.256 6.039 1.00 2.69 H new ATOM 0 HZ2 LYS A 138 10.308 3.566 4.387 1.00 2.69 H new ATOM 0 HZ3 LYS A 138 9.317 4.313 5.545 1.00 2.69 H new ATOM 291 N PRO A 139 7.821 4.666 -0.531 1.00 0.51 N ATOM 292 CA PRO A 139 7.822 4.139 -1.900 1.00 0.46 C ATOM 293 C PRO A 139 8.316 2.699 -1.989 1.00 0.39 C ATOM 294 O PRO A 139 9.415 2.371 -1.540 1.00 0.51 O ATOM 295 CB PRO A 139 8.782 5.073 -2.647 1.00 0.60 C ATOM 296 CG PRO A 139 9.610 5.693 -1.582 1.00 0.72 C ATOM 297 CD PRO A 139 8.689 5.848 -0.413 1.00 0.63 C ATOM 0 HA PRO A 139 6.813 4.113 -2.312 1.00 0.46 H new ATOM 0 HB2 PRO A 139 9.398 4.522 -3.357 1.00 0.60 H new ATOM 0 HB3 PRO A 139 8.238 5.827 -3.215 1.00 0.60 H new ATOM 0 HG2 PRO A 139 10.464 5.064 -1.330 1.00 0.72 H new ATOM 0 HG3 PRO A 139 10.007 6.657 -1.902 1.00 0.72 H new ATOM 0 HD2 PRO A 139 9.232 5.860 0.532 1.00 0.63 H new ATOM 0 HD3 PRO A 139 8.120 6.776 -0.465 1.00 0.63 H new ATOM 305 N TRP A 140 7.477 1.849 -2.553 1.00 0.34 N ATOM 306 CA TRP A 140 7.844 0.483 -2.884 1.00 0.33 C ATOM 307 C TRP A 140 7.955 0.358 -4.398 1.00 0.31 C ATOM 308 O TRP A 140 7.695 1.322 -5.112 1.00 0.38 O ATOM 309 CB TRP A 140 6.787 -0.487 -2.356 1.00 0.40 C ATOM 310 CG TRP A 140 6.781 -0.629 -0.861 1.00 0.44 C ATOM 311 CD1 TRP A 140 6.512 0.335 0.062 1.00 0.54 C ATOM 312 CD2 TRP A 140 7.047 -1.818 -0.127 1.00 0.51 C ATOM 313 NE1 TRP A 140 6.603 -0.185 1.330 1.00 0.61 N ATOM 314 CE2 TRP A 140 6.933 -1.509 1.241 1.00 0.58 C ATOM 315 CE3 TRP A 140 7.370 -3.115 -0.498 1.00 0.62 C ATOM 316 CZ2 TRP A 140 7.135 -2.459 2.237 1.00 0.69 C ATOM 317 CZ3 TRP A 140 7.574 -4.063 0.486 1.00 0.76 C ATOM 318 CH2 TRP A 140 7.456 -3.730 1.843 1.00 0.78 C ATOM 0 H TRP A 140 6.516 2.088 -2.796 1.00 0.34 H new ATOM 0 HA TRP A 140 8.800 0.237 -2.422 1.00 0.33 H new ATOM 0 HB2 TRP A 140 5.803 -0.149 -2.683 1.00 0.40 H new ATOM 0 HB3 TRP A 140 6.952 -1.467 -2.803 1.00 0.40 H new ATOM 0 HD1 TRP A 140 6.263 1.360 -0.169 1.00 0.54 H new ATOM 0 HE1 TRP A 140 6.450 0.332 2.196 1.00 0.61 H new ATOM 0 HE3 TRP A 140 7.461 -3.380 -1.541 1.00 0.62 H new ATOM 0 HZ2 TRP A 140 7.042 -2.203 3.282 1.00 0.69 H new ATOM 0 HZ3 TRP A 140 7.828 -5.075 0.206 1.00 0.76 H new ATOM 0 HH2 TRP A 140 7.622 -4.491 2.591 1.00 0.78 H new ATOM 329 N HIS A 141 8.325 -0.814 -4.893 1.00 0.34 N ATOM 330 CA HIS A 141 8.383 -1.034 -6.334 1.00 0.34 C ATOM 331 C HIS A 141 7.089 -1.684 -6.786 1.00 0.40 C ATOM 332 O HIS A 141 6.589 -2.591 -6.136 1.00 0.51 O ATOM 333 CB HIS A 141 9.556 -1.941 -6.728 1.00 0.42 C ATOM 334 CG HIS A 141 10.905 -1.433 -6.325 1.00 0.47 C ATOM 335 ND1 HIS A 141 11.784 -2.218 -5.624 1.00 0.68 N ATOM 336 CD2 HIS A 141 11.491 -0.235 -6.574 1.00 0.70 C ATOM 337 CE1 HIS A 141 12.877 -1.498 -5.457 1.00 0.71 C ATOM 338 NE2 HIS A 141 12.750 -0.282 -6.018 1.00 0.72 N ATOM 0 H HIS A 141 8.587 -1.621 -4.327 1.00 0.34 H new ATOM 0 HA HIS A 141 8.526 -0.067 -6.816 1.00 0.34 H new ATOM 0 HB2 HIS A 141 9.404 -2.923 -6.280 1.00 0.42 H new ATOM 0 HB3 HIS A 141 9.543 -2.079 -7.809 1.00 0.42 H new ATOM 0 HD1 HIS A 141 11.624 -3.171 -5.296 1.00 0.68 H new ATOM 0 HD2 HIS A 141 11.054 0.597 -7.107 1.00 0.70 H new ATOM 0 HE1 HIS A 141 13.759 -1.841 -4.937 1.00 0.71 H new ATOM 0 HE2 HIS A 141 13.450 0.460 -6.029 1.00 0.72 H new ATOM 346 N LYS A 142 6.560 -1.223 -7.907 1.00 0.49 N ATOM 347 CA LYS A 142 5.309 -1.743 -8.462 1.00 0.65 C ATOM 348 C LYS A 142 5.383 -3.258 -8.721 1.00 0.71 C ATOM 349 O LYS A 142 4.363 -3.925 -8.892 1.00 0.89 O ATOM 350 CB LYS A 142 4.998 -0.985 -9.752 1.00 0.85 C ATOM 351 CG LYS A 142 3.677 -1.357 -10.406 1.00 1.52 C ATOM 352 CD LYS A 142 3.425 -0.503 -11.639 1.00 1.88 C ATOM 353 CE LYS A 142 4.580 -0.606 -12.627 1.00 2.60 C ATOM 354 NZ LYS A 142 4.421 0.324 -13.775 1.00 3.19 N ATOM 0 H LYS A 142 6.981 -0.478 -8.462 1.00 0.49 H new ATOM 0 HA LYS A 142 4.509 -1.590 -7.737 1.00 0.65 H new ATOM 0 HB2 LYS A 142 4.993 0.084 -9.537 1.00 0.85 H new ATOM 0 HB3 LYS A 142 5.803 -1.163 -10.465 1.00 0.85 H new ATOM 0 HG2 LYS A 142 3.688 -2.411 -10.684 1.00 1.52 H new ATOM 0 HG3 LYS A 142 2.863 -1.224 -9.693 1.00 1.52 H new ATOM 0 HD2 LYS A 142 2.501 -0.821 -12.122 1.00 1.88 H new ATOM 0 HD3 LYS A 142 3.289 0.537 -11.342 1.00 1.88 H new ATOM 0 HE2 LYS A 142 5.516 -0.389 -12.113 1.00 2.60 H new ATOM 0 HE3 LYS A 142 4.649 -1.629 -12.997 1.00 2.60 H new ATOM 0 HZ1 LYS A 142 5.229 0.219 -14.421 1.00 3.19 H new ATOM 0 HZ2 LYS A 142 3.541 0.102 -14.283 1.00 3.19 H new ATOM 0 HZ3 LYS A 142 4.381 1.303 -13.426 1.00 3.19 H new ATOM 368 N THR A 143 6.600 -3.790 -8.750 1.00 0.69 N ATOM 369 CA THR A 143 6.823 -5.208 -9.004 1.00 0.84 C ATOM 370 C THR A 143 6.881 -6.025 -7.706 1.00 0.84 C ATOM 371 O THR A 143 6.677 -7.241 -7.724 1.00 1.10 O ATOM 372 CB THR A 143 8.133 -5.406 -9.791 1.00 0.95 C ATOM 373 OG1 THR A 143 8.222 -4.420 -10.826 1.00 1.38 O ATOM 374 CG2 THR A 143 8.196 -6.791 -10.417 1.00 1.47 C ATOM 0 H THR A 143 7.455 -3.254 -8.599 1.00 0.69 H new ATOM 0 HA THR A 143 5.977 -5.567 -9.590 1.00 0.84 H new ATOM 0 HB THR A 143 8.966 -5.302 -9.096 1.00 0.95 H new ATOM 0 HG1 THR A 143 9.056 -4.545 -11.326 1.00 1.38 H new ATOM 0 HG21 THR A 143 9.132 -6.900 -10.965 1.00 1.47 H new ATOM 0 HG22 THR A 143 8.144 -7.547 -9.634 1.00 1.47 H new ATOM 0 HG23 THR A 143 7.357 -6.919 -11.101 1.00 1.47 H new ATOM 382 N CYS A 144 7.147 -5.365 -6.579 1.00 0.68 N ATOM 383 CA CYS A 144 7.275 -6.062 -5.300 1.00 0.76 C ATOM 384 C CYS A 144 6.170 -5.647 -4.334 1.00 0.81 C ATOM 385 O CYS A 144 5.879 -6.355 -3.367 1.00 0.96 O ATOM 386 CB CYS A 144 8.628 -5.757 -4.686 1.00 0.73 C ATOM 387 SG CYS A 144 8.899 -3.984 -4.407 1.00 1.14 S ATOM 0 H CYS A 144 7.277 -4.355 -6.526 1.00 0.68 H new ATOM 0 HA CYS A 144 7.185 -7.133 -5.484 1.00 0.76 H new ATOM 0 HB2 CYS A 144 8.717 -6.286 -3.737 1.00 0.73 H new ATOM 0 HB3 CYS A 144 9.412 -6.140 -5.340 1.00 0.73 H new ATOM 0 HG CYS A 144 7.962 -3.304 -4.998 1.00 1.14 H new ATOM 392 N PHE A 145 5.602 -4.478 -4.585 1.00 0.80 N ATOM 393 CA PHE A 145 4.442 -3.993 -3.859 1.00 0.86 C ATOM 394 C PHE A 145 3.265 -4.904 -4.159 1.00 0.79 C ATOM 395 O PHE A 145 2.470 -4.648 -5.060 1.00 0.81 O ATOM 396 CB PHE A 145 4.145 -2.552 -4.284 1.00 0.94 C ATOM 397 CG PHE A 145 3.110 -1.847 -3.454 1.00 0.97 C ATOM 398 CD1 PHE A 145 3.299 -1.679 -2.092 1.00 1.03 C ATOM 399 CD2 PHE A 145 1.939 -1.383 -4.027 1.00 1.05 C ATOM 400 CE1 PHE A 145 2.345 -1.051 -1.319 1.00 1.10 C ATOM 401 CE2 PHE A 145 0.980 -0.757 -3.257 1.00 1.13 C ATOM 402 CZ PHE A 145 1.214 -0.500 -1.942 1.00 1.13 C ATOM 0 H PHE A 145 5.936 -3.836 -5.303 1.00 0.80 H new ATOM 0 HA PHE A 145 4.629 -4.001 -2.785 1.00 0.86 H new ATOM 0 HB2 PHE A 145 5.072 -1.979 -4.246 1.00 0.94 H new ATOM 0 HB3 PHE A 145 3.815 -2.556 -5.323 1.00 0.94 H new ATOM 0 HD1 PHE A 145 4.204 -2.044 -1.630 1.00 1.03 H new ATOM 0 HD2 PHE A 145 1.774 -1.512 -5.087 1.00 1.05 H new ATOM 0 HE1 PHE A 145 2.466 -0.984 -0.248 1.00 1.10 H new ATOM 0 HE2 PHE A 145 0.038 -0.470 -3.701 1.00 1.13 H new ATOM 0 HZ PHE A 145 0.534 0.124 -1.381 1.00 1.13 H new ATOM 412 N ARG A 146 3.194 -5.992 -3.419 1.00 0.76 N ATOM 413 CA ARG A 146 2.258 -7.054 -3.696 1.00 0.69 C ATOM 414 C ARG A 146 2.137 -7.940 -2.474 1.00 0.66 C ATOM 415 O ARG A 146 3.035 -7.963 -1.629 1.00 0.95 O ATOM 416 CB ARG A 146 2.753 -7.865 -4.897 1.00 0.77 C ATOM 417 CG ARG A 146 4.101 -8.532 -4.687 1.00 1.08 C ATOM 418 CD ARG A 146 4.772 -8.855 -6.012 1.00 1.13 C ATOM 419 NE ARG A 146 4.048 -9.866 -6.783 1.00 1.61 N ATOM 420 CZ ARG A 146 4.402 -10.246 -8.011 1.00 1.86 C ATOM 421 NH1 ARG A 146 5.438 -9.680 -8.619 1.00 1.73 N ATOM 422 NH2 ARG A 146 3.718 -11.192 -8.642 1.00 2.78 N ATOM 0 H ARG A 146 3.787 -6.162 -2.607 1.00 0.76 H new ATOM 0 HA ARG A 146 1.278 -6.638 -3.932 1.00 0.69 H new ATOM 0 HB2 ARG A 146 2.014 -8.631 -5.133 1.00 0.77 H new ATOM 0 HB3 ARG A 146 2.817 -7.207 -5.764 1.00 0.77 H new ATOM 0 HG2 ARG A 146 4.746 -7.877 -4.101 1.00 1.08 H new ATOM 0 HG3 ARG A 146 3.970 -9.448 -4.111 1.00 1.08 H new ATOM 0 HD2 ARG A 146 4.854 -7.943 -6.604 1.00 1.13 H new ATOM 0 HD3 ARG A 146 5.787 -9.206 -5.824 1.00 1.13 H new ATOM 0 HE ARG A 146 3.230 -10.303 -6.359 1.00 1.61 H new ATOM 0 HH11 ARG A 146 5.970 -8.949 -8.147 1.00 1.73 H new ATOM 0 HH12 ARG A 146 5.702 -9.976 -9.558 1.00 1.73 H new ATOM 0 HH21 ARG A 146 2.918 -11.632 -8.188 1.00 2.78 H new ATOM 0 HH22 ARG A 146 3.993 -11.479 -9.581 1.00 2.78 H new ATOM 436 N CYS A 147 1.041 -8.664 -2.368 1.00 0.42 N ATOM 437 CA CYS A 147 0.858 -9.553 -1.246 1.00 0.43 C ATOM 438 C CYS A 147 1.245 -10.969 -1.646 1.00 0.52 C ATOM 439 O CYS A 147 0.954 -11.424 -2.769 1.00 0.53 O ATOM 440 CB CYS A 147 -0.575 -9.498 -0.736 1.00 0.43 C ATOM 441 SG CYS A 147 -1.519 -11.021 -0.969 1.00 0.68 S ATOM 0 H CYS A 147 0.273 -8.653 -3.039 1.00 0.42 H new ATOM 0 HA CYS A 147 1.506 -9.231 -0.431 1.00 0.43 H new ATOM 0 HB2 CYS A 147 -0.559 -9.256 0.327 1.00 0.43 H new ATOM 0 HB3 CYS A 147 -1.095 -8.684 -1.241 1.00 0.43 H new ATOM 0 HG CYS A 147 -1.894 -11.114 -2.210 1.00 0.68 H new ATOM 446 N ALA A 148 1.930 -11.642 -0.733 1.00 0.67 N ATOM 447 CA ALA A 148 2.408 -12.997 -0.958 1.00 0.82 C ATOM 448 C ALA A 148 1.281 -14.023 -0.887 1.00 0.84 C ATOM 449 O ALA A 148 1.475 -15.187 -1.240 1.00 0.98 O ATOM 450 CB ALA A 148 3.493 -13.338 0.049 1.00 1.02 C ATOM 0 H ALA A 148 2.170 -11.264 0.184 1.00 0.67 H new ATOM 0 HA ALA A 148 2.820 -13.038 -1.966 1.00 0.82 H new ATOM 0 HB1 ALA A 148 3.846 -14.354 -0.126 1.00 1.02 H new ATOM 0 HB2 ALA A 148 4.324 -12.641 -0.062 1.00 1.02 H new ATOM 0 HB3 ALA A 148 3.089 -13.263 1.059 1.00 1.02 H new ATOM 456 N ILE A 149 0.101 -13.600 -0.439 1.00 0.76 N ATOM 457 CA ILE A 149 -1.030 -14.511 -0.317 1.00 0.84 C ATOM 458 C ILE A 149 -1.499 -14.961 -1.692 1.00 0.85 C ATOM 459 O ILE A 149 -1.672 -16.156 -1.935 1.00 1.00 O ATOM 460 CB ILE A 149 -2.212 -13.884 0.459 1.00 0.82 C ATOM 461 CG1 ILE A 149 -1.837 -13.686 1.930 1.00 0.86 C ATOM 462 CG2 ILE A 149 -3.464 -14.751 0.340 1.00 0.97 C ATOM 463 CD1 ILE A 149 -2.961 -13.119 2.773 1.00 1.02 C ATOM 0 H ILE A 149 -0.094 -12.639 -0.157 1.00 0.76 H new ATOM 0 HA ILE A 149 -0.682 -15.373 0.253 1.00 0.84 H new ATOM 0 HB ILE A 149 -2.431 -12.911 0.019 1.00 0.82 H new ATOM 0 HG12 ILE A 149 -1.528 -14.643 2.349 1.00 0.86 H new ATOM 0 HG13 ILE A 149 -0.977 -13.019 1.990 1.00 0.86 H new ATOM 0 HG21 ILE A 149 -4.281 -14.289 0.894 1.00 0.97 H new ATOM 0 HG22 ILE A 149 -3.744 -14.844 -0.709 1.00 0.97 H new ATOM 0 HG23 ILE A 149 -3.262 -15.740 0.750 1.00 0.97 H new ATOM 0 HD11 ILE A 149 -2.622 -13.006 3.803 1.00 1.02 H new ATOM 0 HD12 ILE A 149 -3.256 -12.146 2.379 1.00 1.02 H new ATOM 0 HD13 ILE A 149 -3.815 -13.796 2.744 1.00 1.02 H new ATOM 475 N CYS A 150 -1.669 -14.017 -2.604 1.00 0.73 N ATOM 476 CA CYS A 150 -2.120 -14.351 -3.933 1.00 0.79 C ATOM 477 C CYS A 150 -0.946 -14.274 -4.896 1.00 0.75 C ATOM 478 O CYS A 150 -1.016 -14.740 -6.034 1.00 0.87 O ATOM 479 CB CYS A 150 -3.233 -13.398 -4.358 1.00 0.78 C ATOM 480 SG CYS A 150 -2.713 -11.656 -4.443 1.00 0.82 S ATOM 0 H CYS A 150 -1.502 -13.024 -2.445 1.00 0.73 H new ATOM 0 HA CYS A 150 -2.518 -15.366 -3.943 1.00 0.79 H new ATOM 0 HB2 CYS A 150 -3.608 -13.704 -5.335 1.00 0.78 H new ATOM 0 HB3 CYS A 150 -4.062 -13.486 -3.656 1.00 0.78 H new ATOM 0 HG CYS A 150 -3.370 -10.963 -3.560 1.00 0.82 H new ATOM 485 N GLY A 151 0.145 -13.688 -4.403 1.00 0.66 N ATOM 486 CA GLY A 151 1.322 -13.484 -5.215 1.00 0.70 C ATOM 487 C GLY A 151 1.071 -12.444 -6.280 1.00 0.66 C ATOM 488 O GLY A 151 1.684 -12.476 -7.346 1.00 0.76 O ATOM 0 H GLY A 151 0.228 -13.350 -3.444 1.00 0.66 H new ATOM 0 HA2 GLY A 151 2.154 -13.170 -4.584 1.00 0.70 H new ATOM 0 HA3 GLY A 151 1.614 -14.425 -5.682 1.00 0.70 H new ATOM 492 N LYS A 152 0.179 -11.511 -5.984 1.00 0.58 N ATOM 493 CA LYS A 152 -0.283 -10.565 -6.988 1.00 0.64 C ATOM 494 C LYS A 152 0.075 -9.136 -6.607 1.00 0.56 C ATOM 495 O LYS A 152 0.009 -8.756 -5.433 1.00 0.50 O ATOM 496 CB LYS A 152 -1.792 -10.715 -7.198 1.00 0.80 C ATOM 497 CG LYS A 152 -2.411 -9.698 -8.138 1.00 0.89 C ATOM 498 CD LYS A 152 -3.906 -9.931 -8.269 1.00 1.39 C ATOM 499 CE LYS A 152 -4.577 -8.840 -9.087 1.00 1.75 C ATOM 500 NZ LYS A 152 -6.021 -9.123 -9.309 1.00 2.37 N ATOM 0 H LYS A 152 -0.238 -11.389 -5.061 1.00 0.58 H new ATOM 0 HA LYS A 152 0.223 -10.788 -7.927 1.00 0.64 H new ATOM 0 HB2 LYS A 152 -1.993 -11.714 -7.584 1.00 0.80 H new ATOM 0 HB3 LYS A 152 -2.288 -10.642 -6.230 1.00 0.80 H new ATOM 0 HG2 LYS A 152 -2.226 -8.691 -7.765 1.00 0.89 H new ATOM 0 HG3 LYS A 152 -1.940 -9.767 -9.118 1.00 0.89 H new ATOM 0 HD2 LYS A 152 -4.083 -10.899 -8.738 1.00 1.39 H new ATOM 0 HD3 LYS A 152 -4.356 -9.971 -7.277 1.00 1.39 H new ATOM 0 HE2 LYS A 152 -4.469 -7.884 -8.575 1.00 1.75 H new ATOM 0 HE3 LYS A 152 -4.073 -8.745 -10.049 1.00 1.75 H new ATOM 0 HZ1 LYS A 152 -6.443 -8.356 -9.871 1.00 2.37 H new ATOM 0 HZ2 LYS A 152 -6.124 -10.023 -9.820 1.00 2.37 H new ATOM 0 HZ3 LYS A 152 -6.507 -9.188 -8.392 1.00 2.37 H new ATOM 514 N SER A 153 0.464 -8.359 -7.615 1.00 0.67 N ATOM 515 CA SER A 153 0.938 -6.999 -7.426 1.00 0.73 C ATOM 516 C SER A 153 -0.196 -6.025 -7.123 1.00 0.76 C ATOM 517 O SER A 153 -1.294 -6.133 -7.673 1.00 0.94 O ATOM 518 CB SER A 153 1.702 -6.555 -8.675 1.00 0.91 C ATOM 519 OG SER A 153 1.032 -6.982 -9.850 1.00 1.46 O ATOM 0 H SER A 153 0.458 -8.661 -8.589 1.00 0.67 H new ATOM 0 HA SER A 153 1.599 -6.990 -6.559 1.00 0.73 H new ATOM 0 HB2 SER A 153 1.800 -5.469 -8.681 1.00 0.91 H new ATOM 0 HB3 SER A 153 2.711 -6.967 -8.656 1.00 0.91 H new ATOM 0 HG SER A 153 0.063 -6.918 -9.716 1.00 1.46 H new ATOM 525 N LEU A 154 0.097 -5.079 -6.245 1.00 0.71 N ATOM 526 CA LEU A 154 -0.838 -4.038 -5.872 1.00 0.76 C ATOM 527 C LEU A 154 -0.633 -2.827 -6.772 1.00 0.92 C ATOM 528 O LEU A 154 0.502 -2.440 -7.054 1.00 1.13 O ATOM 529 CB LEU A 154 -0.616 -3.654 -4.408 1.00 0.70 C ATOM 530 CG LEU A 154 -0.751 -4.807 -3.411 1.00 0.70 C ATOM 531 CD1 LEU A 154 -0.230 -4.401 -2.041 1.00 0.85 C ATOM 532 CD2 LEU A 154 -2.199 -5.250 -3.320 1.00 0.86 C ATOM 0 H LEU A 154 0.997 -5.014 -5.770 1.00 0.71 H new ATOM 0 HA LEU A 154 -1.859 -4.399 -5.992 1.00 0.76 H new ATOM 0 HB2 LEU A 154 0.380 -3.221 -4.308 1.00 0.70 H new ATOM 0 HB3 LEU A 154 -1.330 -2.876 -4.140 1.00 0.70 H new ATOM 0 HG LEU A 154 -0.149 -5.644 -3.766 1.00 0.70 H new ATOM 0 HD11 LEU A 154 -0.336 -5.236 -1.349 1.00 0.85 H new ATOM 0 HD12 LEU A 154 0.822 -4.126 -2.119 1.00 0.85 H new ATOM 0 HD13 LEU A 154 -0.802 -3.549 -1.672 1.00 0.85 H new ATOM 0 HD21 LEU A 154 -2.284 -6.071 -2.608 1.00 0.86 H new ATOM 0 HD22 LEU A 154 -2.815 -4.415 -2.986 1.00 0.86 H new ATOM 0 HD23 LEU A 154 -2.540 -5.583 -4.300 1.00 0.86 H new ATOM 544 N GLU A 155 -1.730 -2.249 -7.240 1.00 1.24 N ATOM 545 CA GLU A 155 -1.670 -1.111 -8.153 1.00 1.53 C ATOM 546 C GLU A 155 -1.296 0.163 -7.412 1.00 1.73 C ATOM 547 O GLU A 155 -0.203 0.695 -7.582 1.00 2.45 O ATOM 548 CB GLU A 155 -3.016 -0.908 -8.841 1.00 1.96 C ATOM 549 CG GLU A 155 -3.552 -2.144 -9.537 1.00 2.39 C ATOM 550 CD GLU A 155 -4.991 -1.974 -9.959 1.00 3.01 C ATOM 551 OE1 GLU A 155 -5.890 -2.156 -9.120 1.00 3.46 O ATOM 552 OE2 GLU A 155 -5.227 -1.677 -11.150 1.00 3.54 O ATOM 0 H GLU A 155 -2.676 -2.549 -7.003 1.00 1.24 H new ATOM 0 HA GLU A 155 -0.906 -1.327 -8.899 1.00 1.53 H new ATOM 0 HB2 GLU A 155 -3.744 -0.578 -8.100 1.00 1.96 H new ATOM 0 HB3 GLU A 155 -2.920 -0.106 -9.573 1.00 1.96 H new ATOM 0 HG2 GLU A 155 -2.940 -2.361 -10.413 1.00 2.39 H new ATOM 0 HG3 GLU A 155 -3.469 -3.001 -8.869 1.00 2.39 H new ATOM 559 N SER A 156 -2.225 0.652 -6.599 1.00 1.83 N ATOM 560 CA SER A 156 -2.019 1.889 -5.857 1.00 2.22 C ATOM 561 C SER A 156 -3.118 2.088 -4.818 1.00 1.96 C ATOM 562 O SER A 156 -2.844 2.376 -3.655 1.00 2.65 O ATOM 563 CB SER A 156 -1.980 3.077 -6.828 1.00 3.04 C ATOM 564 OG SER A 156 -3.071 3.032 -7.736 1.00 3.58 O ATOM 0 H SER A 156 -3.130 0.210 -6.437 1.00 1.83 H new ATOM 0 HA SER A 156 -1.066 1.826 -5.332 1.00 2.22 H new ATOM 0 HB2 SER A 156 -2.009 4.011 -6.266 1.00 3.04 H new ATOM 0 HB3 SER A 156 -1.041 3.067 -7.382 1.00 3.04 H new ATOM 0 HG SER A 156 -3.024 3.800 -8.342 1.00 3.58 H new ATOM 570 N THR A 157 -4.362 1.905 -5.238 1.00 1.62 N ATOM 571 CA THR A 157 -5.510 2.131 -4.372 1.00 1.69 C ATOM 572 C THR A 157 -5.868 0.859 -3.593 1.00 1.51 C ATOM 573 O THR A 157 -7.027 0.633 -3.241 1.00 2.11 O ATOM 574 CB THR A 157 -6.722 2.578 -5.208 1.00 2.15 C ATOM 575 OG1 THR A 157 -6.273 3.350 -6.331 1.00 2.66 O ATOM 576 CG2 THR A 157 -7.678 3.416 -4.377 1.00 2.67 C ATOM 0 H THR A 157 -4.603 1.598 -6.181 1.00 1.62 H new ATOM 0 HA THR A 157 -5.248 2.914 -3.661 1.00 1.69 H new ATOM 0 HB THR A 157 -7.247 1.687 -5.551 1.00 2.15 H new ATOM 0 HG1 THR A 157 -7.046 3.633 -6.864 1.00 2.66 H new ATOM 0 HG21 THR A 157 -8.525 3.719 -4.992 1.00 2.67 H new ATOM 0 HG22 THR A 157 -8.035 2.829 -3.531 1.00 2.67 H new ATOM 0 HG23 THR A 157 -7.161 4.303 -4.011 1.00 2.67 H new ATOM 584 N ASN A 158 -4.862 0.040 -3.320 1.00 1.17 N ATOM 585 CA ASN A 158 -5.068 -1.242 -2.657 1.00 1.14 C ATOM 586 C ASN A 158 -3.799 -1.668 -1.927 1.00 0.94 C ATOM 587 O ASN A 158 -2.831 -2.089 -2.554 1.00 1.16 O ATOM 588 CB ASN A 158 -5.477 -2.304 -3.690 1.00 1.38 C ATOM 589 CG ASN A 158 -5.637 -3.693 -3.094 1.00 1.61 C ATOM 590 OD1 ASN A 158 -5.969 -3.851 -1.919 1.00 2.30 O ATOM 591 ND2 ASN A 158 -5.417 -4.712 -3.912 1.00 2.09 N ATOM 0 H ASN A 158 -3.889 0.242 -3.549 1.00 1.17 H new ATOM 0 HA ASN A 158 -5.868 -1.139 -1.924 1.00 1.14 H new ATOM 0 HB2 ASN A 158 -6.417 -2.005 -4.155 1.00 1.38 H new ATOM 0 HB3 ASN A 158 -4.727 -2.340 -4.480 1.00 1.38 H new ATOM 0 HD21 ASN A 158 -5.521 -5.669 -3.574 1.00 2.09 H new ATOM 0 HD22 ASN A 158 -5.143 -4.540 -4.879 1.00 2.09 H new ATOM 598 N VAL A 159 -3.800 -1.515 -0.608 1.00 0.79 N ATOM 599 CA VAL A 159 -2.668 -1.916 0.218 1.00 0.72 C ATOM 600 C VAL A 159 -3.039 -1.936 1.692 1.00 0.69 C ATOM 601 O VAL A 159 -3.623 -0.981 2.211 1.00 0.83 O ATOM 602 CB VAL A 159 -1.437 -1.000 0.009 1.00 0.94 C ATOM 603 CG1 VAL A 159 -1.818 0.473 0.026 1.00 1.27 C ATOM 604 CG2 VAL A 159 -0.368 -1.277 1.057 1.00 1.59 C ATOM 0 H VAL A 159 -4.578 -1.113 -0.085 1.00 0.79 H new ATOM 0 HA VAL A 159 -2.401 -2.924 -0.099 1.00 0.72 H new ATOM 0 HB VAL A 159 -1.032 -1.230 -0.976 1.00 0.94 H new ATOM 0 HG11 VAL A 159 -0.926 1.081 -0.124 1.00 1.27 H new ATOM 0 HG12 VAL A 159 -2.532 0.673 -0.773 1.00 1.27 H new ATOM 0 HG13 VAL A 159 -2.269 0.721 0.987 1.00 1.27 H new ATOM 0 HG21 VAL A 159 0.486 -0.621 0.888 1.00 1.59 H new ATOM 0 HG22 VAL A 159 -0.776 -1.093 2.051 1.00 1.59 H new ATOM 0 HG23 VAL A 159 -0.047 -2.316 0.984 1.00 1.59 H new ATOM 614 N THR A 160 -2.726 -3.036 2.353 1.00 0.62 N ATOM 615 CA THR A 160 -2.932 -3.142 3.781 1.00 0.67 C ATOM 616 C THR A 160 -1.679 -3.718 4.443 1.00 0.70 C ATOM 617 O THR A 160 -0.961 -4.502 3.820 1.00 0.81 O ATOM 618 CB THR A 160 -4.146 -4.039 4.100 1.00 0.71 C ATOM 619 OG1 THR A 160 -5.170 -3.847 3.111 1.00 1.16 O ATOM 620 CG2 THR A 160 -4.709 -3.725 5.477 1.00 1.08 C ATOM 0 H THR A 160 -2.327 -3.869 1.920 1.00 0.62 H new ATOM 0 HA THR A 160 -3.129 -2.144 4.173 1.00 0.67 H new ATOM 0 HB THR A 160 -3.812 -5.077 4.088 1.00 0.71 H new ATOM 0 HG1 THR A 160 -5.937 -4.421 3.319 1.00 1.16 H new ATOM 0 HG21 THR A 160 -5.564 -4.371 5.677 1.00 1.08 H new ATOM 0 HG22 THR A 160 -3.941 -3.895 6.232 1.00 1.08 H new ATOM 0 HG23 THR A 160 -5.026 -2.683 5.511 1.00 1.08 H new ATOM 628 N ASP A 161 -1.413 -3.331 5.687 1.00 0.82 N ATOM 629 CA ASP A 161 -0.226 -3.813 6.392 1.00 0.93 C ATOM 630 C ASP A 161 -0.617 -4.619 7.623 1.00 0.96 C ATOM 631 O ASP A 161 -1.461 -4.196 8.419 1.00 1.06 O ATOM 632 CB ASP A 161 0.675 -2.649 6.815 1.00 1.18 C ATOM 633 CG ASP A 161 1.989 -3.117 7.427 1.00 1.61 C ATOM 634 OD1 ASP A 161 1.987 -3.582 8.590 1.00 2.13 O ATOM 635 OD2 ASP A 161 3.032 -3.006 6.752 1.00 2.27 O ATOM 0 H ASP A 161 -1.997 -2.691 6.225 1.00 0.82 H new ATOM 0 HA ASP A 161 0.323 -4.454 5.703 1.00 0.93 H new ATOM 0 HB2 ASP A 161 0.885 -2.023 5.948 1.00 1.18 H new ATOM 0 HB3 ASP A 161 0.144 -2.027 7.536 1.00 1.18 H new ATOM 640 N LYS A 162 -0.014 -5.789 7.756 1.00 0.98 N ATOM 641 CA LYS A 162 -0.168 -6.609 8.944 1.00 1.10 C ATOM 642 C LYS A 162 1.206 -7.027 9.461 1.00 1.22 C ATOM 643 O LYS A 162 1.802 -7.985 8.967 1.00 1.27 O ATOM 644 CB LYS A 162 -1.051 -7.831 8.645 1.00 1.17 C ATOM 645 CG LYS A 162 -1.052 -8.900 9.736 1.00 1.55 C ATOM 646 CD LYS A 162 -1.369 -8.329 11.110 1.00 1.86 C ATOM 647 CE LYS A 162 -1.325 -9.413 12.175 1.00 2.36 C ATOM 648 NZ LYS A 162 -1.241 -8.848 13.548 1.00 2.95 N ATOM 0 H LYS A 162 0.594 -6.195 7.045 1.00 0.98 H new ATOM 0 HA LYS A 162 -0.665 -6.028 9.721 1.00 1.10 H new ATOM 0 HB2 LYS A 162 -2.075 -7.492 8.486 1.00 1.17 H new ATOM 0 HB3 LYS A 162 -0.717 -8.284 7.712 1.00 1.17 H new ATOM 0 HG2 LYS A 162 -1.785 -9.668 9.487 1.00 1.55 H new ATOM 0 HG3 LYS A 162 -0.077 -9.387 9.764 1.00 1.55 H new ATOM 0 HD2 LYS A 162 -0.653 -7.544 11.355 1.00 1.86 H new ATOM 0 HD3 LYS A 162 -2.356 -7.867 11.097 1.00 1.86 H new ATOM 0 HE2 LYS A 162 -2.216 -10.036 12.094 1.00 2.36 H new ATOM 0 HE3 LYS A 162 -0.466 -10.060 11.997 1.00 2.36 H new ATOM 0 HZ1 LYS A 162 -1.094 -9.618 14.232 1.00 2.95 H new ATOM 0 HZ2 LYS A 162 -0.445 -8.181 13.601 1.00 2.95 H new ATOM 0 HZ3 LYS A 162 -2.126 -8.349 13.773 1.00 2.95 H new ATOM 662 N ASP A 163 1.719 -6.263 10.429 1.00 1.37 N ATOM 663 CA ASP A 163 2.996 -6.567 11.085 1.00 1.58 C ATOM 664 C ASP A 163 4.161 -6.511 10.100 1.00 1.48 C ATOM 665 O ASP A 163 5.188 -7.159 10.302 1.00 1.94 O ATOM 666 CB ASP A 163 2.953 -7.943 11.769 1.00 1.83 C ATOM 667 CG ASP A 163 2.290 -7.916 13.134 1.00 2.42 C ATOM 668 OD1 ASP A 163 1.101 -7.544 13.212 1.00 2.97 O ATOM 669 OD2 ASP A 163 2.951 -8.255 14.138 1.00 2.80 O ATOM 0 H ASP A 163 1.264 -5.420 10.780 1.00 1.37 H new ATOM 0 HA ASP A 163 3.155 -5.802 11.845 1.00 1.58 H new ATOM 0 HB2 ASP A 163 2.418 -8.643 11.127 1.00 1.83 H new ATOM 0 HB3 ASP A 163 3.970 -8.320 11.875 1.00 1.83 H new ATOM 674 N GLY A 164 4.004 -5.728 9.043 1.00 1.41 N ATOM 675 CA GLY A 164 5.047 -5.619 8.045 1.00 1.46 C ATOM 676 C GLY A 164 4.730 -6.416 6.797 1.00 1.29 C ATOM 677 O GLY A 164 5.439 -6.327 5.794 1.00 1.45 O ATOM 0 H GLY A 164 3.173 -5.166 8.859 1.00 1.41 H new ATOM 0 HA2 GLY A 164 5.185 -4.571 7.779 1.00 1.46 H new ATOM 0 HA3 GLY A 164 5.989 -5.968 8.467 1.00 1.46 H new ATOM 681 N GLU A 165 3.671 -7.212 6.858 1.00 1.10 N ATOM 682 CA GLU A 165 3.235 -7.963 5.698 1.00 1.01 C ATOM 683 C GLU A 165 2.199 -7.188 4.912 1.00 0.86 C ATOM 684 O GLU A 165 1.157 -6.802 5.441 1.00 0.92 O ATOM 685 CB GLU A 165 2.686 -9.332 6.087 1.00 1.13 C ATOM 686 CG GLU A 165 3.775 -10.350 6.355 1.00 1.48 C ATOM 687 CD GLU A 165 3.245 -11.767 6.373 1.00 1.70 C ATOM 688 OE1 GLU A 165 2.969 -12.312 5.282 1.00 2.21 O ATOM 689 OE2 GLU A 165 3.080 -12.343 7.466 1.00 2.17 O ATOM 0 H GLU A 165 3.104 -7.351 7.694 1.00 1.10 H new ATOM 0 HA GLU A 165 4.110 -8.119 5.067 1.00 1.01 H new ATOM 0 HB2 GLU A 165 2.065 -9.229 6.977 1.00 1.13 H new ATOM 0 HB3 GLU A 165 2.041 -9.699 5.289 1.00 1.13 H new ATOM 0 HG2 GLU A 165 4.547 -10.263 5.590 1.00 1.48 H new ATOM 0 HG3 GLU A 165 4.248 -10.129 7.312 1.00 1.48 H new ATOM 696 N LEU A 166 2.498 -6.970 3.646 1.00 0.77 N ATOM 697 CA LEU A 166 1.603 -6.237 2.763 1.00 0.65 C ATOM 698 C LEU A 166 0.588 -7.191 2.162 1.00 0.55 C ATOM 699 O LEU A 166 0.953 -8.245 1.648 1.00 0.63 O ATOM 700 CB LEU A 166 2.377 -5.525 1.644 1.00 0.71 C ATOM 701 CG LEU A 166 3.170 -4.275 2.059 1.00 0.86 C ATOM 702 CD1 LEU A 166 2.260 -3.263 2.738 1.00 1.25 C ATOM 703 CD2 LEU A 166 4.337 -4.638 2.965 1.00 1.21 C ATOM 0 H LEU A 166 3.358 -7.291 3.201 1.00 0.77 H new ATOM 0 HA LEU A 166 1.091 -5.476 3.352 1.00 0.65 H new ATOM 0 HB2 LEU A 166 3.070 -6.239 1.199 1.00 0.71 H new ATOM 0 HB3 LEU A 166 1.669 -5.240 0.866 1.00 0.71 H new ATOM 0 HG LEU A 166 3.577 -3.822 1.155 1.00 0.86 H new ATOM 0 HD11 LEU A 166 2.841 -2.386 3.024 1.00 1.25 H new ATOM 0 HD12 LEU A 166 1.469 -2.966 2.050 1.00 1.25 H new ATOM 0 HD13 LEU A 166 1.818 -3.711 3.628 1.00 1.25 H new ATOM 0 HD21 LEU A 166 4.878 -3.733 3.241 1.00 1.21 H new ATOM 0 HD22 LEU A 166 3.961 -5.125 3.865 1.00 1.21 H new ATOM 0 HD23 LEU A 166 5.009 -5.316 2.439 1.00 1.21 H new ATOM 715 N TYR A 167 -0.681 -6.831 2.251 1.00 0.46 N ATOM 716 CA TYR A 167 -1.756 -7.661 1.726 1.00 0.38 C ATOM 717 C TYR A 167 -2.742 -6.827 0.924 1.00 0.33 C ATOM 718 O TYR A 167 -2.926 -5.636 1.197 1.00 0.45 O ATOM 719 CB TYR A 167 -2.518 -8.339 2.864 1.00 0.46 C ATOM 720 CG TYR A 167 -1.738 -9.370 3.644 1.00 0.62 C ATOM 721 CD1 TYR A 167 -0.862 -10.244 3.013 1.00 0.74 C ATOM 722 CD2 TYR A 167 -1.905 -9.486 5.017 1.00 0.79 C ATOM 723 CE1 TYR A 167 -0.175 -11.202 3.729 1.00 0.94 C ATOM 724 CE2 TYR A 167 -1.216 -10.438 5.740 1.00 0.97 C ATOM 725 CZ TYR A 167 -0.354 -11.294 5.091 1.00 1.03 C ATOM 726 OH TYR A 167 0.320 -12.253 5.805 1.00 1.23 O ATOM 0 H TYR A 167 -0.995 -5.963 2.685 1.00 0.46 H new ATOM 0 HA TYR A 167 -1.300 -8.413 1.082 1.00 0.38 H new ATOM 0 HB2 TYR A 167 -2.863 -7.570 3.555 1.00 0.46 H new ATOM 0 HB3 TYR A 167 -3.406 -8.817 2.450 1.00 0.46 H new ATOM 0 HD1 TYR A 167 -0.717 -10.172 1.945 1.00 0.74 H new ATOM 0 HD2 TYR A 167 -2.585 -8.820 5.528 1.00 0.79 H new ATOM 0 HE1 TYR A 167 0.500 -11.877 3.224 1.00 0.94 H new ATOM 0 HE2 TYR A 167 -1.352 -10.512 6.809 1.00 0.97 H new ATOM 0 HH TYR A 167 1.153 -12.481 5.341 1.00 1.23 H new ATOM 736 N CYS A 168 -3.370 -7.453 -0.063 1.00 0.30 N ATOM 737 CA CYS A 168 -4.457 -6.832 -0.796 1.00 0.38 C ATOM 738 C CYS A 168 -5.711 -6.820 0.069 1.00 0.45 C ATOM 739 O CYS A 168 -5.818 -7.619 0.996 1.00 0.47 O ATOM 740 CB CYS A 168 -4.732 -7.606 -2.081 1.00 0.46 C ATOM 741 SG CYS A 168 -3.239 -8.294 -2.862 1.00 0.52 S ATOM 0 H CYS A 168 -3.140 -8.397 -0.373 1.00 0.30 H new ATOM 0 HA CYS A 168 -4.177 -5.810 -1.050 1.00 0.38 H new ATOM 0 HB2 CYS A 168 -5.423 -8.420 -1.862 1.00 0.46 H new ATOM 0 HB3 CYS A 168 -5.230 -6.946 -2.791 1.00 0.46 H new ATOM 0 HG CYS A 168 -2.803 -9.295 -2.157 1.00 0.52 H new ATOM 746 N LYS A 169 -6.651 -5.931 -0.218 1.00 0.60 N ATOM 747 CA LYS A 169 -7.880 -5.840 0.570 1.00 0.72 C ATOM 748 C LYS A 169 -8.608 -7.189 0.657 1.00 0.69 C ATOM 749 O LYS A 169 -9.088 -7.577 1.722 1.00 0.75 O ATOM 750 CB LYS A 169 -8.818 -4.772 -0.009 1.00 0.94 C ATOM 751 CG LYS A 169 -9.168 -4.980 -1.476 1.00 1.57 C ATOM 752 CD LYS A 169 -10.225 -3.994 -1.944 1.00 1.97 C ATOM 753 CE LYS A 169 -11.531 -4.181 -1.189 1.00 2.66 C ATOM 754 NZ LYS A 169 -12.580 -3.236 -1.646 1.00 3.12 N ATOM 0 H LYS A 169 -6.590 -5.263 -0.987 1.00 0.60 H new ATOM 0 HA LYS A 169 -7.592 -5.552 1.581 1.00 0.72 H new ATOM 0 HB2 LYS A 169 -9.739 -4.758 0.574 1.00 0.94 H new ATOM 0 HB3 LYS A 169 -8.352 -3.793 0.107 1.00 0.94 H new ATOM 0 HG2 LYS A 169 -8.270 -4.868 -2.084 1.00 1.57 H new ATOM 0 HG3 LYS A 169 -9.528 -5.998 -1.624 1.00 1.57 H new ATOM 0 HD2 LYS A 169 -9.863 -2.976 -1.802 1.00 1.97 H new ATOM 0 HD3 LYS A 169 -10.399 -4.124 -3.012 1.00 1.97 H new ATOM 0 HE2 LYS A 169 -11.883 -5.204 -1.322 1.00 2.66 H new ATOM 0 HE3 LYS A 169 -11.356 -4.040 -0.122 1.00 2.66 H new ATOM 0 HZ1 LYS A 169 -13.453 -3.398 -1.105 1.00 3.12 H new ATOM 0 HZ2 LYS A 169 -12.256 -2.259 -1.496 1.00 3.12 H new ATOM 0 HZ3 LYS A 169 -12.767 -3.387 -2.658 1.00 3.12 H new ATOM 768 N VAL A 170 -8.658 -7.909 -0.461 1.00 0.70 N ATOM 769 CA VAL A 170 -9.359 -9.187 -0.527 1.00 0.77 C ATOM 770 C VAL A 170 -8.635 -10.252 0.293 1.00 0.69 C ATOM 771 O VAL A 170 -9.247 -10.972 1.080 1.00 0.78 O ATOM 772 CB VAL A 170 -9.492 -9.669 -1.988 1.00 0.88 C ATOM 773 CG1 VAL A 170 -10.265 -10.976 -2.058 1.00 1.02 C ATOM 774 CG2 VAL A 170 -10.163 -8.606 -2.848 1.00 1.02 C ATOM 0 H VAL A 170 -8.219 -7.627 -1.337 1.00 0.70 H new ATOM 0 HA VAL A 170 -10.354 -9.034 -0.110 1.00 0.77 H new ATOM 0 HB VAL A 170 -8.489 -9.844 -2.378 1.00 0.88 H new ATOM 0 HG11 VAL A 170 -10.346 -11.296 -3.097 1.00 1.02 H new ATOM 0 HG12 VAL A 170 -9.741 -11.740 -1.483 1.00 1.02 H new ATOM 0 HG13 VAL A 170 -11.263 -10.831 -1.644 1.00 1.02 H new ATOM 0 HG21 VAL A 170 -10.246 -8.967 -3.873 1.00 1.02 H new ATOM 0 HG22 VAL A 170 -11.158 -8.395 -2.455 1.00 1.02 H new ATOM 0 HG23 VAL A 170 -9.566 -7.694 -2.832 1.00 1.02 H new ATOM 784 N CYS A 171 -7.330 -10.332 0.110 1.00 0.58 N ATOM 785 CA CYS A 171 -6.507 -11.296 0.815 1.00 0.59 C ATOM 786 C CYS A 171 -6.465 -10.973 2.313 1.00 0.57 C ATOM 787 O CYS A 171 -6.390 -11.868 3.159 1.00 0.66 O ATOM 788 CB CYS A 171 -5.120 -11.279 0.189 1.00 0.58 C ATOM 789 SG CYS A 171 -5.179 -11.274 -1.636 1.00 0.80 S ATOM 0 H CYS A 171 -6.812 -9.731 -0.531 1.00 0.58 H new ATOM 0 HA CYS A 171 -6.927 -12.298 0.725 1.00 0.59 H new ATOM 0 HB2 CYS A 171 -4.579 -10.398 0.535 1.00 0.58 H new ATOM 0 HB3 CYS A 171 -4.560 -12.150 0.529 1.00 0.58 H new ATOM 0 HG CYS A 171 -4.464 -10.288 -2.091 1.00 0.80 H new ATOM 794 N TYR A 172 -6.541 -9.685 2.625 1.00 0.51 N ATOM 795 CA TYR A 172 -6.636 -9.215 4.003 1.00 0.59 C ATOM 796 C TYR A 172 -7.956 -9.666 4.632 1.00 0.67 C ATOM 797 O TYR A 172 -8.004 -10.018 5.811 1.00 0.76 O ATOM 798 CB TYR A 172 -6.512 -7.683 4.029 1.00 0.65 C ATOM 799 CG TYR A 172 -6.895 -7.025 5.338 1.00 0.89 C ATOM 800 CD1 TYR A 172 -6.011 -6.985 6.409 1.00 1.29 C ATOM 801 CD2 TYR A 172 -8.143 -6.432 5.495 1.00 1.24 C ATOM 802 CE1 TYR A 172 -6.361 -6.371 7.599 1.00 1.57 C ATOM 803 CE2 TYR A 172 -8.498 -5.817 6.678 1.00 1.45 C ATOM 804 CZ TYR A 172 -7.605 -5.788 7.729 1.00 1.48 C ATOM 805 OH TYR A 172 -7.957 -5.173 8.911 1.00 1.78 O ATOM 0 H TYR A 172 -6.539 -8.937 1.931 1.00 0.51 H new ATOM 0 HA TYR A 172 -5.823 -9.645 4.588 1.00 0.59 H new ATOM 0 HB2 TYR A 172 -5.482 -7.414 3.794 1.00 0.65 H new ATOM 0 HB3 TYR A 172 -7.138 -7.271 3.237 1.00 0.65 H new ATOM 0 HD1 TYR A 172 -5.036 -7.440 6.312 1.00 1.29 H new ATOM 0 HD2 TYR A 172 -8.847 -6.453 4.676 1.00 1.24 H new ATOM 0 HE1 TYR A 172 -5.663 -6.348 8.423 1.00 1.57 H new ATOM 0 HE2 TYR A 172 -9.471 -5.360 6.781 1.00 1.45 H new ATOM 0 HH TYR A 172 -8.865 -4.813 8.835 1.00 1.78 H new ATOM 815 N ALA A 173 -9.011 -9.679 3.820 1.00 0.72 N ATOM 816 CA ALA A 173 -10.343 -10.056 4.278 1.00 0.87 C ATOM 817 C ALA A 173 -10.404 -11.525 4.692 1.00 0.91 C ATOM 818 O ALA A 173 -11.258 -11.913 5.489 1.00 1.05 O ATOM 819 CB ALA A 173 -11.374 -9.766 3.195 1.00 1.05 C ATOM 0 H ALA A 173 -8.966 -9.430 2.832 1.00 0.72 H new ATOM 0 HA ALA A 173 -10.573 -9.457 5.159 1.00 0.87 H new ATOM 0 HB1 ALA A 173 -12.364 -10.052 3.549 1.00 1.05 H new ATOM 0 HB2 ALA A 173 -11.366 -8.702 2.961 1.00 1.05 H new ATOM 0 HB3 ALA A 173 -11.131 -10.337 2.299 1.00 1.05 H new ATOM 825 N LYS A 174 -9.516 -12.342 4.138 1.00 0.89 N ATOM 826 CA LYS A 174 -9.464 -13.753 4.499 1.00 1.06 C ATOM 827 C LYS A 174 -8.931 -13.928 5.918 1.00 1.08 C ATOM 828 O LYS A 174 -9.533 -14.627 6.736 1.00 1.27 O ATOM 829 CB LYS A 174 -8.591 -14.543 3.520 1.00 1.17 C ATOM 830 CG LYS A 174 -8.417 -15.998 3.924 1.00 1.67 C ATOM 831 CD LYS A 174 -7.534 -16.763 2.954 1.00 2.21 C ATOM 832 CE LYS A 174 -8.178 -16.891 1.584 1.00 2.63 C ATOM 833 NZ LYS A 174 -7.442 -17.851 0.722 1.00 3.36 N ATOM 0 H LYS A 174 -8.827 -12.055 3.443 1.00 0.89 H new ATOM 0 HA LYS A 174 -10.481 -14.142 4.450 1.00 1.06 H new ATOM 0 HB2 LYS A 174 -9.036 -14.498 2.526 1.00 1.17 H new ATOM 0 HB3 LYS A 174 -7.611 -14.070 3.452 1.00 1.17 H new ATOM 0 HG2 LYS A 174 -7.983 -16.046 4.923 1.00 1.67 H new ATOM 0 HG3 LYS A 174 -9.394 -16.477 3.978 1.00 1.67 H new ATOM 0 HD2 LYS A 174 -6.574 -16.255 2.858 1.00 2.21 H new ATOM 0 HD3 LYS A 174 -7.330 -17.756 3.354 1.00 2.21 H new ATOM 0 HE2 LYS A 174 -9.211 -17.220 1.696 1.00 2.63 H new ATOM 0 HE3 LYS A 174 -8.205 -15.914 1.101 1.00 2.63 H new ATOM 0 HZ1 LYS A 174 -7.909 -17.914 -0.205 1.00 3.36 H new ATOM 0 HZ2 LYS A 174 -6.463 -17.524 0.595 1.00 3.36 H new ATOM 0 HZ3 LYS A 174 -7.438 -18.789 1.172 1.00 3.36 H new ATOM 847 N ASN A 175 -7.802 -13.290 6.204 1.00 1.04 N ATOM 848 CA ASN A 175 -7.179 -13.401 7.520 1.00 1.24 C ATOM 849 C ASN A 175 -7.987 -12.659 8.572 1.00 1.33 C ATOM 850 O ASN A 175 -8.039 -13.070 9.732 1.00 1.56 O ATOM 851 CB ASN A 175 -5.739 -12.880 7.490 1.00 1.47 C ATOM 852 CG ASN A 175 -4.763 -13.896 6.927 1.00 1.90 C ATOM 853 OD1 ASN A 175 -4.959 -15.104 7.060 1.00 2.65 O ATOM 854 ND2 ASN A 175 -3.706 -13.417 6.294 1.00 2.25 N ATOM 0 H ASN A 175 -7.300 -12.693 5.547 1.00 1.04 H new ATOM 0 HA ASN A 175 -7.158 -14.458 7.787 1.00 1.24 H new ATOM 0 HB2 ASN A 175 -5.698 -11.971 6.890 1.00 1.47 H new ATOM 0 HB3 ASN A 175 -5.433 -12.609 8.501 1.00 1.47 H new ATOM 0 HD21 ASN A 175 -3.018 -14.055 5.895 1.00 2.25 H new ATOM 0 HD22 ASN A 175 -3.579 -12.409 6.204 1.00 2.25 H new ATOM 861 N PHE A 176 -8.623 -11.574 8.161 1.00 1.30 N ATOM 862 CA PHE A 176 -9.452 -10.784 9.058 1.00 1.58 C ATOM 863 C PHE A 176 -10.920 -10.910 8.669 1.00 2.55 C ATOM 864 O PHE A 176 -11.536 -9.959 8.184 1.00 3.04 O ATOM 865 CB PHE A 176 -9.020 -9.314 9.036 1.00 1.55 C ATOM 866 CG PHE A 176 -7.715 -9.051 9.735 1.00 2.24 C ATOM 867 CD1 PHE A 176 -6.516 -9.419 9.145 1.00 2.85 C ATOM 868 CD2 PHE A 176 -7.684 -8.439 10.979 1.00 2.73 C ATOM 869 CE1 PHE A 176 -5.314 -9.184 9.781 1.00 3.93 C ATOM 870 CE2 PHE A 176 -6.486 -8.200 11.620 1.00 3.72 C ATOM 871 CZ PHE A 176 -5.310 -8.555 11.038 1.00 4.32 C ATOM 0 H PHE A 176 -8.581 -11.218 7.206 1.00 1.30 H new ATOM 0 HA PHE A 176 -9.325 -11.165 10.071 1.00 1.58 H new ATOM 0 HB2 PHE A 176 -8.939 -8.985 8.000 1.00 1.55 H new ATOM 0 HB3 PHE A 176 -9.798 -8.710 9.502 1.00 1.55 H new ATOM 0 HD1 PHE A 176 -6.522 -9.895 8.176 1.00 2.85 H new ATOM 0 HD2 PHE A 176 -8.610 -8.146 11.452 1.00 2.73 H new ATOM 0 HE1 PHE A 176 -4.385 -9.481 9.317 1.00 3.93 H new ATOM 0 HE2 PHE A 176 -6.482 -7.727 12.591 1.00 3.72 H new ATOM 0 HZ PHE A 176 -4.375 -8.354 11.540 1.00 4.32 H new