USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=25 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 147 CYS SG : rot -158:sc= -1.22! USER MOD Set 1.2: A 150 CYS SG : rot -59:sc= -6.53! USER MOD Set 1.3: A 152 LYS NZ :NH3+ -132:sc= 0.278 (180deg=-0.344) USER MOD Set 1.4: A 168 CYS SG : rot 75:sc= -1.62! USER MOD Set 1.5: A 171 CYS SG : rot 116:sc= 0.864 USER MOD Set 1.6: A 174 LYS NZ :NH3+ 159:sc= 0.378 (180deg=0) USER MOD Set 2.1: A 120 CYS SG : rot 147:sc= -1.89! USER MOD Set 2.2: A 123 CYS SG : rot 74:sc= 0.227 USER MOD Set 2.3: A 141 HIS : no HE2:sc= -7.65! C(o=-13!,f=-12!) USER MOD Set 2.4: A 144 CYS SG : rot -17:sc= -3.84! USER MOD Set 3.1: A 119 LYS NZ :NH3+ -175:sc= 0.692 (180deg=-0.0509) USER MOD Set 3.2: A 126 SER OG : rot -95:sc= 0.691 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 -165:sc= -0.0707 (180deg=-0.433) USER MOD Single : A 138 LYS NZ :NH3+ -167:sc= -0.0388 (180deg=-0.212) USER MOD Single : A 142 LYS NZ :NH3+ -131:sc= 0.98 (180deg=-0.694!) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 153 SER OG : rot 180:sc= 0.0285 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 157 THR OG1 : rot 23:sc= 0.723 USER MOD Single : A 158 ASN : amide:sc= 0.133 K(o=0.13,f=-6.2!) USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 162 LYS NZ :NH3+ -141:sc= 1 (180deg=0.649) USER MOD Single : A 167 TYR OH : rot 55:sc= 1.31 USER MOD Single : A 169 LYS NZ :NH3+ -165:sc= -0.0194 (180deg=-0.217) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 175 ASN : amide:sc= -0.177 K(o=-0.18,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 119 12.382 4.142 0.557 1.00 0.89 N ATOM 2 CA LYS A 119 13.088 2.926 0.185 1.00 0.80 C ATOM 3 C LYS A 119 12.190 1.706 0.337 1.00 0.78 C ATOM 4 O LYS A 119 11.379 1.636 1.260 1.00 0.90 O ATOM 5 CB LYS A 119 14.323 2.775 1.078 1.00 0.93 C ATOM 6 CG LYS A 119 15.368 1.811 0.552 1.00 1.51 C ATOM 7 CD LYS A 119 16.478 1.607 1.570 1.00 1.54 C ATOM 8 CE LYS A 119 17.673 0.893 0.965 1.00 2.16 C ATOM 9 NZ LYS A 119 18.459 1.782 0.066 1.00 2.76 N ATOM 0 HA LYS A 119 13.387 2.997 -0.861 1.00 0.80 H new ATOM 0 HB2 LYS A 119 14.784 3.754 1.207 1.00 0.93 H new ATOM 0 HB3 LYS A 119 14.003 2.440 2.065 1.00 0.93 H new ATOM 0 HG2 LYS A 119 14.901 0.854 0.320 1.00 1.51 H new ATOM 0 HG3 LYS A 119 15.788 2.195 -0.378 1.00 1.51 H new ATOM 0 HD2 LYS A 119 16.793 2.574 1.963 1.00 1.54 H new ATOM 0 HD3 LYS A 119 16.097 1.029 2.412 1.00 1.54 H new ATOM 0 HE2 LYS A 119 18.317 0.524 1.763 1.00 2.16 H new ATOM 0 HE3 LYS A 119 17.330 0.023 0.405 1.00 2.16 H new ATOM 0 HZ1 LYS A 119 19.215 1.233 -0.391 1.00 2.76 H new ATOM 0 HZ2 LYS A 119 17.833 2.181 -0.662 1.00 2.76 H new ATOM 0 HZ3 LYS A 119 18.880 2.554 0.622 1.00 2.76 H new ATOM 23 N CYS A 120 12.344 0.752 -0.573 1.00 0.70 N ATOM 24 CA CYS A 120 11.644 -0.516 -0.487 1.00 0.72 C ATOM 25 C CYS A 120 12.391 -1.468 0.441 1.00 0.76 C ATOM 26 O CYS A 120 13.504 -1.901 0.129 1.00 0.80 O ATOM 27 CB CYS A 120 11.506 -1.149 -1.876 1.00 0.67 C ATOM 28 SG CYS A 120 10.977 -2.893 -1.845 1.00 0.74 S ATOM 0 H CYS A 120 12.955 0.838 -1.385 1.00 0.70 H new ATOM 0 HA CYS A 120 10.648 -0.332 -0.084 1.00 0.72 H new ATOM 0 HB2 CYS A 120 10.787 -0.572 -2.457 1.00 0.67 H new ATOM 0 HB3 CYS A 120 12.463 -1.079 -2.393 1.00 0.67 H new ATOM 0 HG CYS A 120 10.249 -3.144 -2.892 1.00 0.74 H new ATOM 33 N PRO A 121 11.794 -1.800 1.594 1.00 0.79 N ATOM 34 CA PRO A 121 12.372 -2.743 2.550 1.00 0.87 C ATOM 35 C PRO A 121 12.232 -4.194 2.086 1.00 0.90 C ATOM 36 O PRO A 121 12.768 -5.114 2.702 1.00 1.00 O ATOM 37 CB PRO A 121 11.554 -2.515 3.834 1.00 0.96 C ATOM 38 CG PRO A 121 10.674 -1.338 3.561 1.00 1.00 C ATOM 39 CD PRO A 121 10.516 -1.267 2.073 1.00 0.82 C ATOM 0 HA PRO A 121 13.442 -2.580 2.679 1.00 0.87 H new ATOM 0 HB2 PRO A 121 10.961 -3.396 4.080 1.00 0.96 H new ATOM 0 HB3 PRO A 121 12.209 -2.323 4.684 1.00 0.96 H new ATOM 0 HG2 PRO A 121 9.707 -1.454 4.050 1.00 1.00 H new ATOM 0 HG3 PRO A 121 11.119 -0.422 3.949 1.00 1.00 H new ATOM 0 HD2 PRO A 121 9.672 -1.863 1.725 1.00 0.82 H new ATOM 0 HD3 PRO A 121 10.348 -0.246 1.731 1.00 0.82 H new ATOM 47 N ARG A 122 11.517 -4.391 0.987 1.00 0.86 N ATOM 48 CA ARG A 122 11.292 -5.725 0.455 1.00 0.94 C ATOM 49 C ARG A 122 12.527 -6.197 -0.299 1.00 0.90 C ATOM 50 O ARG A 122 12.974 -7.334 -0.133 1.00 1.05 O ATOM 51 CB ARG A 122 10.073 -5.737 -0.474 1.00 0.98 C ATOM 52 CG ARG A 122 9.730 -7.108 -1.045 1.00 0.97 C ATOM 53 CD ARG A 122 8.944 -7.962 -0.061 1.00 1.11 C ATOM 54 NE ARG A 122 9.683 -8.232 1.169 1.00 1.54 N ATOM 55 CZ ARG A 122 9.445 -9.271 1.958 1.00 1.95 C ATOM 56 NH1 ARG A 122 8.517 -10.162 1.627 1.00 2.03 N ATOM 57 NH2 ARG A 122 10.129 -9.421 3.084 1.00 2.82 N ATOM 0 H ARG A 122 11.083 -3.642 0.447 1.00 0.86 H new ATOM 0 HA ARG A 122 11.099 -6.403 1.286 1.00 0.94 H new ATOM 0 HB2 ARG A 122 9.210 -5.359 0.074 1.00 0.98 H new ATOM 0 HB3 ARG A 122 10.253 -5.048 -1.299 1.00 0.98 H new ATOM 0 HG2 ARG A 122 9.150 -6.984 -1.959 1.00 0.97 H new ATOM 0 HG3 ARG A 122 10.649 -7.626 -1.319 1.00 0.97 H new ATOM 0 HD2 ARG A 122 8.009 -7.458 0.185 1.00 1.11 H new ATOM 0 HD3 ARG A 122 8.681 -8.907 -0.536 1.00 1.11 H new ATOM 0 HE ARG A 122 10.424 -7.585 1.437 1.00 1.54 H new ATOM 0 HH11 ARG A 122 7.985 -10.048 0.764 1.00 2.03 H new ATOM 0 HH12 ARG A 122 8.336 -10.960 2.236 1.00 2.03 H new ATOM 0 HH21 ARG A 122 10.839 -8.737 3.344 1.00 2.82 H new ATOM 0 HH22 ARG A 122 9.945 -10.221 3.690 1.00 2.82 H new ATOM 71 N CYS A 123 13.074 -5.311 -1.121 1.00 0.76 N ATOM 72 CA CYS A 123 14.244 -5.630 -1.923 1.00 0.78 C ATOM 73 C CYS A 123 15.485 -4.917 -1.391 1.00 0.76 C ATOM 74 O CYS A 123 16.611 -5.216 -1.795 1.00 0.86 O ATOM 75 CB CYS A 123 13.996 -5.219 -3.372 1.00 0.77 C ATOM 76 SG CYS A 123 12.344 -5.670 -3.988 1.00 0.88 S ATOM 0 H CYS A 123 12.723 -4.362 -1.249 1.00 0.76 H new ATOM 0 HA CYS A 123 14.418 -6.705 -1.868 1.00 0.78 H new ATOM 0 HB2 CYS A 123 14.125 -4.140 -3.462 1.00 0.77 H new ATOM 0 HB3 CYS A 123 14.750 -5.684 -4.007 1.00 0.77 H new ATOM 0 HG CYS A 123 11.456 -4.874 -3.470 1.00 0.88 H new ATOM 81 N GLY A 124 15.267 -3.969 -0.486 1.00 0.70 N ATOM 82 CA GLY A 124 16.360 -3.177 0.040 1.00 0.73 C ATOM 83 C GLY A 124 16.829 -2.146 -0.966 1.00 0.71 C ATOM 84 O GLY A 124 17.990 -1.738 -0.962 1.00 0.85 O ATOM 0 H GLY A 124 14.349 -3.735 -0.107 1.00 0.70 H new ATOM 0 HA2 GLY A 124 16.042 -2.677 0.955 1.00 0.73 H new ATOM 0 HA3 GLY A 124 17.190 -3.831 0.307 1.00 0.73 H new ATOM 88 N LYS A 125 15.910 -1.714 -1.816 1.00 0.61 N ATOM 89 CA LYS A 125 16.235 -0.822 -2.919 1.00 0.61 C ATOM 90 C LYS A 125 15.451 0.477 -2.807 1.00 0.57 C ATOM 91 O LYS A 125 14.246 0.464 -2.575 1.00 0.60 O ATOM 92 CB LYS A 125 15.923 -1.499 -4.254 1.00 0.63 C ATOM 93 CG LYS A 125 16.767 -2.729 -4.541 1.00 1.30 C ATOM 94 CD LYS A 125 18.201 -2.367 -4.890 1.00 1.71 C ATOM 95 CE LYS A 125 18.267 -1.480 -6.125 1.00 2.44 C ATOM 96 NZ LYS A 125 19.657 -1.337 -6.632 1.00 2.99 N ATOM 0 H LYS A 125 14.924 -1.970 -1.762 1.00 0.61 H new ATOM 0 HA LYS A 125 17.300 -0.594 -2.872 1.00 0.61 H new ATOM 0 HB2 LYS A 125 14.871 -1.783 -4.267 1.00 0.63 H new ATOM 0 HB3 LYS A 125 16.068 -0.777 -5.057 1.00 0.63 H new ATOM 0 HG2 LYS A 125 16.760 -3.384 -3.670 1.00 1.30 H new ATOM 0 HG3 LYS A 125 16.324 -3.289 -5.365 1.00 1.30 H new ATOM 0 HD2 LYS A 125 18.663 -1.854 -4.047 1.00 1.71 H new ATOM 0 HD3 LYS A 125 18.775 -3.277 -5.063 1.00 1.71 H new ATOM 0 HE2 LYS A 125 17.637 -1.901 -6.908 1.00 2.44 H new ATOM 0 HE3 LYS A 125 17.865 -0.495 -5.887 1.00 2.44 H new ATOM 0 HZ1 LYS A 125 19.658 -0.726 -7.473 1.00 2.99 H new ATOM 0 HZ2 LYS A 125 20.254 -0.912 -5.894 1.00 2.99 H new ATOM 0 HZ3 LYS A 125 20.033 -2.273 -6.884 1.00 2.99 H new ATOM 110 N SER A 126 16.148 1.590 -2.963 1.00 0.66 N ATOM 111 CA SER A 126 15.532 2.907 -2.883 1.00 0.68 C ATOM 112 C SER A 126 14.592 3.137 -4.073 1.00 0.57 C ATOM 113 O SER A 126 14.864 2.667 -5.181 1.00 0.66 O ATOM 114 CB SER A 126 16.636 3.960 -2.847 1.00 0.89 C ATOM 115 OG SER A 126 17.668 3.560 -1.957 1.00 1.37 O ATOM 0 H SER A 126 17.151 1.608 -3.148 1.00 0.66 H new ATOM 0 HA SER A 126 14.932 2.979 -1.976 1.00 0.68 H new ATOM 0 HB2 SER A 126 17.044 4.103 -3.847 1.00 0.89 H new ATOM 0 HB3 SER A 126 16.224 4.918 -2.530 1.00 0.89 H new ATOM 0 HG SER A 126 17.517 3.965 -1.077 1.00 1.37 H new ATOM 121 N VAL A 127 13.486 3.841 -3.837 1.00 0.52 N ATOM 122 CA VAL A 127 12.477 4.066 -4.871 1.00 0.45 C ATOM 123 C VAL A 127 12.171 5.559 -5.015 1.00 0.58 C ATOM 124 O VAL A 127 12.284 6.318 -4.054 1.00 0.80 O ATOM 125 CB VAL A 127 11.152 3.332 -4.536 1.00 0.50 C ATOM 126 CG1 VAL A 127 10.218 3.319 -5.735 1.00 0.63 C ATOM 127 CG2 VAL A 127 11.411 1.916 -4.044 1.00 0.71 C ATOM 0 H VAL A 127 13.266 4.266 -2.937 1.00 0.52 H new ATOM 0 HA VAL A 127 12.886 3.675 -5.803 1.00 0.45 H new ATOM 0 HB VAL A 127 10.667 3.883 -3.730 1.00 0.50 H new ATOM 0 HG11 VAL A 127 9.297 2.798 -5.473 1.00 0.63 H new ATOM 0 HG12 VAL A 127 9.986 4.343 -6.026 1.00 0.63 H new ATOM 0 HG13 VAL A 127 10.701 2.806 -6.567 1.00 0.63 H new ATOM 0 HG21 VAL A 127 10.462 1.430 -3.818 1.00 0.71 H new ATOM 0 HG22 VAL A 127 11.933 1.352 -4.817 1.00 0.71 H new ATOM 0 HG23 VAL A 127 12.024 1.950 -3.144 1.00 0.71 H new ATOM 137 N TYR A 128 11.805 5.981 -6.219 1.00 0.60 N ATOM 138 CA TYR A 128 11.337 7.340 -6.423 1.00 0.78 C ATOM 139 C TYR A 128 10.039 7.331 -7.239 1.00 0.58 C ATOM 140 O TYR A 128 9.472 6.265 -7.480 1.00 0.48 O ATOM 141 CB TYR A 128 12.418 8.203 -7.088 1.00 1.14 C ATOM 142 CG TYR A 128 12.168 9.689 -6.932 1.00 2.06 C ATOM 143 CD1 TYR A 128 11.557 10.201 -5.798 1.00 2.76 C ATOM 144 CD2 TYR A 128 12.565 10.581 -7.923 1.00 2.80 C ATOM 145 CE1 TYR A 128 11.344 11.559 -5.656 1.00 3.69 C ATOM 146 CE2 TYR A 128 12.362 11.936 -7.787 1.00 3.75 C ATOM 147 CZ TYR A 128 11.668 12.408 -6.637 1.00 4.06 C ATOM 148 OH TYR A 128 11.548 13.780 -6.512 1.00 5.08 O ATOM 0 H TYR A 128 11.824 5.405 -7.061 1.00 0.60 H new ATOM 0 HA TYR A 128 11.125 7.787 -5.452 1.00 0.78 H new ATOM 0 HB2 TYR A 128 13.388 7.956 -6.657 1.00 1.14 H new ATOM 0 HB3 TYR A 128 12.469 7.958 -8.149 1.00 1.14 H new ATOM 0 HD1 TYR A 128 11.243 9.528 -5.014 1.00 2.76 H new ATOM 0 HD2 TYR A 128 13.041 10.204 -8.816 1.00 2.80 H new ATOM 0 HE1 TYR A 128 10.911 11.939 -4.742 1.00 3.69 H new ATOM 0 HE2 TYR A 128 12.721 12.626 -8.536 1.00 3.75 H new ATOM 0 HH TYR A 128 11.839 14.211 -7.343 1.00 5.08 H new ATOM 158 N ALA A 129 9.582 8.506 -7.667 1.00 0.69 N ATOM 159 CA ALA A 129 8.277 8.667 -8.314 1.00 0.74 C ATOM 160 C ALA A 129 8.073 7.712 -9.490 1.00 0.75 C ATOM 161 O ALA A 129 6.964 7.220 -9.701 1.00 0.87 O ATOM 162 CB ALA A 129 8.103 10.105 -8.779 1.00 0.95 C ATOM 0 H ALA A 129 10.106 9.377 -7.576 1.00 0.69 H new ATOM 0 HA ALA A 129 7.521 8.419 -7.569 1.00 0.74 H new ATOM 0 HB1 ALA A 129 7.131 10.217 -9.259 1.00 0.95 H new ATOM 0 HB2 ALA A 129 8.164 10.775 -7.921 1.00 0.95 H new ATOM 0 HB3 ALA A 129 8.890 10.355 -9.491 1.00 0.95 H new ATOM 168 N ALA A 130 9.141 7.443 -10.234 1.00 0.80 N ATOM 169 CA ALA A 130 9.067 6.602 -11.429 1.00 1.00 C ATOM 170 C ALA A 130 8.456 5.232 -11.141 1.00 0.91 C ATOM 171 O ALA A 130 7.739 4.681 -11.977 1.00 1.16 O ATOM 172 CB ALA A 130 10.448 6.430 -12.037 1.00 1.21 C ATOM 0 H ALA A 130 10.076 7.797 -10.030 1.00 0.80 H new ATOM 0 HA ALA A 130 8.412 7.111 -12.136 1.00 1.00 H new ATOM 0 HB1 ALA A 130 10.379 5.802 -12.925 1.00 1.21 H new ATOM 0 HB2 ALA A 130 10.848 7.406 -12.312 1.00 1.21 H new ATOM 0 HB3 ALA A 130 11.109 5.958 -11.310 1.00 1.21 H new ATOM 178 N GLU A 131 8.734 4.684 -9.965 1.00 0.68 N ATOM 179 CA GLU A 131 8.235 3.361 -9.610 1.00 0.65 C ATOM 180 C GLU A 131 7.375 3.430 -8.349 1.00 0.46 C ATOM 181 O GLU A 131 6.899 2.415 -7.847 1.00 0.50 O ATOM 182 CB GLU A 131 9.414 2.399 -9.405 1.00 0.87 C ATOM 183 CG GLU A 131 9.012 0.935 -9.332 1.00 1.41 C ATOM 184 CD GLU A 131 8.232 0.499 -10.550 1.00 1.70 C ATOM 185 OE1 GLU A 131 7.016 0.769 -10.614 1.00 2.44 O ATOM 186 OE2 GLU A 131 8.828 -0.121 -11.451 1.00 1.99 O ATOM 0 H GLU A 131 9.299 5.132 -9.244 1.00 0.68 H new ATOM 0 HA GLU A 131 7.612 2.990 -10.424 1.00 0.65 H new ATOM 0 HB2 GLU A 131 10.123 2.530 -10.222 1.00 0.87 H new ATOM 0 HB3 GLU A 131 9.934 2.669 -8.486 1.00 0.87 H new ATOM 0 HG2 GLU A 131 9.906 0.318 -9.234 1.00 1.41 H new ATOM 0 HG3 GLU A 131 8.411 0.769 -8.438 1.00 1.41 H new ATOM 193 N LYS A 132 7.141 4.644 -7.875 1.00 0.44 N ATOM 194 CA LYS A 132 6.485 4.872 -6.594 1.00 0.42 C ATOM 195 C LYS A 132 5.065 4.289 -6.537 1.00 0.44 C ATOM 196 O LYS A 132 4.125 4.843 -7.106 1.00 0.58 O ATOM 197 CB LYS A 132 6.474 6.381 -6.288 1.00 0.55 C ATOM 198 CG LYS A 132 5.568 6.798 -5.136 1.00 0.65 C ATOM 199 CD LYS A 132 4.375 7.601 -5.641 1.00 1.05 C ATOM 200 CE LYS A 132 4.822 8.825 -6.427 1.00 1.58 C ATOM 201 NZ LYS A 132 3.675 9.582 -6.999 1.00 2.18 N ATOM 0 H LYS A 132 7.400 5.500 -8.366 1.00 0.44 H new ATOM 0 HA LYS A 132 7.057 4.345 -5.830 1.00 0.42 H new ATOM 0 HB2 LYS A 132 7.492 6.698 -6.063 1.00 0.55 H new ATOM 0 HB3 LYS A 132 6.165 6.916 -7.186 1.00 0.55 H new ATOM 0 HG2 LYS A 132 5.217 5.912 -4.606 1.00 0.65 H new ATOM 0 HG3 LYS A 132 6.135 7.394 -4.420 1.00 0.65 H new ATOM 0 HD2 LYS A 132 3.750 6.969 -6.273 1.00 1.05 H new ATOM 0 HD3 LYS A 132 3.761 7.913 -4.796 1.00 1.05 H new ATOM 0 HE2 LYS A 132 5.398 9.482 -5.775 1.00 1.58 H new ATOM 0 HE3 LYS A 132 5.486 8.513 -7.233 1.00 1.58 H new ATOM 0 HZ1 LYS A 132 4.030 10.406 -7.525 1.00 2.18 H new ATOM 0 HZ2 LYS A 132 3.139 8.966 -7.642 1.00 2.18 H new ATOM 0 HZ3 LYS A 132 3.053 9.904 -6.230 1.00 2.18 H new ATOM 215 N VAL A 133 4.942 3.144 -5.878 1.00 0.39 N ATOM 216 CA VAL A 133 3.649 2.635 -5.436 1.00 0.44 C ATOM 217 C VAL A 133 3.558 2.805 -3.930 1.00 0.44 C ATOM 218 O VAL A 133 4.576 2.784 -3.240 1.00 0.50 O ATOM 219 CB VAL A 133 3.423 1.157 -5.825 1.00 0.49 C ATOM 220 CG1 VAL A 133 3.266 1.021 -7.334 1.00 1.02 C ATOM 221 CG2 VAL A 133 4.562 0.284 -5.330 1.00 0.88 C ATOM 0 H VAL A 133 5.731 2.544 -5.636 1.00 0.39 H new ATOM 0 HA VAL A 133 2.867 3.205 -5.938 1.00 0.44 H new ATOM 0 HB VAL A 133 2.504 0.818 -5.347 1.00 0.49 H new ATOM 0 HG11 VAL A 133 3.108 -0.027 -7.590 1.00 1.02 H new ATOM 0 HG12 VAL A 133 2.410 1.609 -7.665 1.00 1.02 H new ATOM 0 HG13 VAL A 133 4.168 1.383 -7.828 1.00 1.02 H new ATOM 0 HG21 VAL A 133 4.378 -0.751 -5.617 1.00 0.88 H new ATOM 0 HG22 VAL A 133 5.499 0.622 -5.773 1.00 0.88 H new ATOM 0 HG23 VAL A 133 4.628 0.353 -4.244 1.00 0.88 H new ATOM 231 N MET A 134 2.358 2.972 -3.414 1.00 0.54 N ATOM 232 CA MET A 134 2.199 3.444 -2.047 1.00 0.60 C ATOM 233 C MET A 134 2.104 2.312 -1.033 1.00 0.57 C ATOM 234 O MET A 134 1.004 1.890 -0.665 1.00 0.75 O ATOM 235 CB MET A 134 0.965 4.341 -1.930 1.00 0.83 C ATOM 236 CG MET A 134 1.024 5.583 -2.805 1.00 1.14 C ATOM 237 SD MET A 134 2.463 6.619 -2.459 1.00 1.65 S ATOM 238 CE MET A 134 2.191 7.031 -0.734 1.00 1.78 C ATOM 0 H MET A 134 1.485 2.791 -3.910 1.00 0.54 H new ATOM 0 HA MET A 134 3.098 4.014 -1.814 1.00 0.60 H new ATOM 0 HB2 MET A 134 0.080 3.762 -2.196 1.00 0.83 H new ATOM 0 HB3 MET A 134 0.846 4.646 -0.890 1.00 0.83 H new ATOM 0 HG2 MET A 134 1.042 5.283 -3.853 1.00 1.14 H new ATOM 0 HG3 MET A 134 0.117 6.169 -2.657 1.00 1.14 H new ATOM 0 HE1 MET A 134 2.834 7.865 -0.453 1.00 1.78 H new ATOM 0 HE2 MET A 134 1.148 7.312 -0.587 1.00 1.78 H new ATOM 0 HE3 MET A 134 2.425 6.167 -0.112 1.00 1.78 H new ATOM 248 N GLY A 135 3.254 1.822 -0.581 1.00 0.50 N ATOM 249 CA GLY A 135 3.276 0.956 0.576 1.00 0.61 C ATOM 250 C GLY A 135 3.283 1.762 1.856 1.00 0.70 C ATOM 251 O GLY A 135 4.346 2.076 2.397 1.00 0.77 O ATOM 0 H GLY A 135 4.167 2.010 -0.996 1.00 0.50 H new ATOM 0 HA2 GLY A 135 2.406 0.300 0.560 1.00 0.61 H new ATOM 0 HA3 GLY A 135 4.158 0.317 0.540 1.00 0.61 H new ATOM 255 N GLY A 136 2.094 2.128 2.321 1.00 0.85 N ATOM 256 CA GLY A 136 1.978 2.952 3.507 1.00 1.03 C ATOM 257 C GLY A 136 2.278 4.407 3.209 1.00 1.08 C ATOM 258 O GLY A 136 1.448 5.115 2.632 1.00 1.72 O ATOM 0 H GLY A 136 1.205 1.867 1.895 1.00 0.85 H new ATOM 0 HA2 GLY A 136 0.971 2.864 3.914 1.00 1.03 H new ATOM 0 HA3 GLY A 136 2.664 2.588 4.272 1.00 1.03 H new ATOM 262 N GLY A 137 3.466 4.848 3.592 1.00 0.94 N ATOM 263 CA GLY A 137 3.886 6.205 3.310 1.00 0.98 C ATOM 264 C GLY A 137 5.200 6.244 2.552 1.00 0.87 C ATOM 265 O GLY A 137 5.848 7.289 2.468 1.00 1.04 O ATOM 0 H GLY A 137 4.152 4.286 4.097 1.00 0.94 H new ATOM 0 HA2 GLY A 137 3.116 6.710 2.727 1.00 0.98 H new ATOM 0 HA3 GLY A 137 3.990 6.755 4.245 1.00 0.98 H new ATOM 269 N LYS A 138 5.595 5.099 2.010 1.00 0.71 N ATOM 270 CA LYS A 138 6.840 4.991 1.258 1.00 0.71 C ATOM 271 C LYS A 138 6.574 4.382 -0.116 1.00 0.53 C ATOM 272 O LYS A 138 5.714 3.513 -0.258 1.00 0.52 O ATOM 273 CB LYS A 138 7.848 4.114 2.011 1.00 0.92 C ATOM 274 CG LYS A 138 8.230 4.634 3.391 1.00 1.15 C ATOM 275 CD LYS A 138 9.279 3.744 4.042 1.00 1.46 C ATOM 276 CE LYS A 138 9.684 4.251 5.418 1.00 2.11 C ATOM 277 NZ LYS A 138 10.255 5.623 5.363 1.00 2.69 N ATOM 0 H LYS A 138 5.069 4.228 2.077 1.00 0.71 H new ATOM 0 HA LYS A 138 7.254 5.992 1.139 1.00 0.71 H new ATOM 0 HB2 LYS A 138 7.431 3.112 2.117 1.00 0.92 H new ATOM 0 HB3 LYS A 138 8.752 4.022 1.408 1.00 0.92 H new ATOM 0 HG2 LYS A 138 8.613 5.651 3.306 1.00 1.15 H new ATOM 0 HG3 LYS A 138 7.344 4.679 4.024 1.00 1.15 H new ATOM 0 HD2 LYS A 138 8.890 2.730 4.130 1.00 1.46 H new ATOM 0 HD3 LYS A 138 10.159 3.693 3.401 1.00 1.46 H new ATOM 0 HE2 LYS A 138 8.815 4.247 6.076 1.00 2.11 H new ATOM 0 HE3 LYS A 138 10.416 3.571 5.853 1.00 2.11 H new ATOM 0 HZ1 LYS A 138 10.715 5.844 6.269 1.00 2.69 H new ATOM 0 HZ2 LYS A 138 10.956 5.677 4.596 1.00 2.69 H new ATOM 0 HZ3 LYS A 138 9.494 6.309 5.185 1.00 2.69 H new ATOM 291 N PRO A 139 7.267 4.870 -1.154 1.00 0.51 N ATOM 292 CA PRO A 139 7.249 4.248 -2.477 1.00 0.46 C ATOM 293 C PRO A 139 7.906 2.870 -2.482 1.00 0.39 C ATOM 294 O PRO A 139 9.013 2.689 -1.974 1.00 0.51 O ATOM 295 CB PRO A 139 8.058 5.213 -3.348 1.00 0.60 C ATOM 296 CG PRO A 139 8.900 5.973 -2.390 1.00 0.72 C ATOM 297 CD PRO A 139 8.073 6.101 -1.145 1.00 0.63 C ATOM 0 HA PRO A 139 6.229 4.087 -2.826 1.00 0.46 H new ATOM 0 HB2 PRO A 139 8.670 4.675 -4.072 1.00 0.60 H new ATOM 0 HB3 PRO A 139 7.405 5.877 -3.914 1.00 0.60 H new ATOM 0 HG2 PRO A 139 9.835 5.450 -2.188 1.00 0.72 H new ATOM 0 HG3 PRO A 139 9.163 6.953 -2.789 1.00 0.72 H new ATOM 0 HD2 PRO A 139 8.695 6.169 -0.253 1.00 0.63 H new ATOM 0 HD3 PRO A 139 7.447 6.993 -1.166 1.00 0.63 H new ATOM 305 N TRP A 140 7.198 1.905 -3.039 1.00 0.34 N ATOM 306 CA TRP A 140 7.707 0.554 -3.209 1.00 0.33 C ATOM 307 C TRP A 140 7.848 0.252 -4.699 1.00 0.31 C ATOM 308 O TRP A 140 7.656 1.139 -5.527 1.00 0.38 O ATOM 309 CB TRP A 140 6.753 -0.447 -2.550 1.00 0.40 C ATOM 310 CG TRP A 140 6.739 -0.384 -1.047 1.00 0.44 C ATOM 311 CD1 TRP A 140 6.456 0.693 -0.262 1.00 0.54 C ATOM 312 CD2 TRP A 140 7.010 -1.462 -0.156 1.00 0.51 C ATOM 313 NE1 TRP A 140 6.538 0.348 1.065 1.00 0.61 N ATOM 314 CE2 TRP A 140 6.879 -0.975 1.155 1.00 0.58 C ATOM 315 CE3 TRP A 140 7.351 -2.789 -0.350 1.00 0.62 C ATOM 316 CZ2 TRP A 140 7.083 -1.781 2.272 1.00 0.69 C ATOM 317 CZ3 TRP A 140 7.556 -3.595 0.753 1.00 0.76 C ATOM 318 CH2 TRP A 140 7.420 -3.087 2.053 1.00 0.78 C ATOM 0 H TRP A 140 6.249 2.036 -3.388 1.00 0.34 H new ATOM 0 HA TRP A 140 8.684 0.467 -2.733 1.00 0.33 H new ATOM 0 HB2 TRP A 140 5.743 -0.268 -2.920 1.00 0.40 H new ATOM 0 HB3 TRP A 140 7.031 -1.455 -2.858 1.00 0.40 H new ATOM 0 HD1 TRP A 140 6.204 1.676 -0.630 1.00 0.54 H new ATOM 0 HE1 TRP A 140 6.372 0.974 1.853 1.00 0.61 H new ATOM 0 HE3 TRP A 140 7.455 -3.188 -1.348 1.00 0.62 H new ATOM 0 HZ2 TRP A 140 6.979 -1.389 3.273 1.00 0.69 H new ATOM 0 HZ3 TRP A 140 7.825 -4.631 0.612 1.00 0.76 H new ATOM 0 HH2 TRP A 140 7.585 -3.740 2.897 1.00 0.78 H new ATOM 329 N HIS A 141 8.171 -0.990 -5.042 1.00 0.34 N ATOM 330 CA HIS A 141 8.298 -1.385 -6.447 1.00 0.34 C ATOM 331 C HIS A 141 7.060 -2.162 -6.871 1.00 0.40 C ATOM 332 O HIS A 141 6.681 -3.117 -6.210 1.00 0.51 O ATOM 333 CB HIS A 141 9.528 -2.275 -6.665 1.00 0.42 C ATOM 334 CG HIS A 141 10.815 -1.705 -6.167 1.00 0.47 C ATOM 335 ND1 HIS A 141 11.662 -2.435 -5.369 1.00 0.68 N ATOM 336 CD2 HIS A 141 11.373 -0.495 -6.405 1.00 0.70 C ATOM 337 CE1 HIS A 141 12.705 -1.668 -5.135 1.00 0.71 C ATOM 338 NE2 HIS A 141 12.580 -0.475 -5.746 1.00 0.72 N ATOM 0 H HIS A 141 8.350 -1.739 -4.374 1.00 0.34 H new ATOM 0 HA HIS A 141 8.406 -0.478 -7.042 1.00 0.34 H new ATOM 0 HB2 HIS A 141 9.357 -3.232 -6.172 1.00 0.42 H new ATOM 0 HB3 HIS A 141 9.626 -2.478 -7.731 1.00 0.42 H new ATOM 0 HD1 HIS A 141 11.512 -3.384 -5.026 1.00 0.68 H new ATOM 0 HD2 HIS A 141 10.951 0.302 -6.999 1.00 0.70 H new ATOM 0 HE1 HIS A 141 13.552 -1.958 -4.531 1.00 0.71 H new ATOM 346 N LYS A 142 6.445 -1.772 -7.982 1.00 0.49 N ATOM 347 CA LYS A 142 5.195 -2.404 -8.436 1.00 0.65 C ATOM 348 C LYS A 142 5.359 -3.904 -8.711 1.00 0.71 C ATOM 349 O LYS A 142 4.373 -4.632 -8.814 1.00 0.89 O ATOM 350 CB LYS A 142 4.657 -1.722 -9.696 1.00 0.85 C ATOM 351 CG LYS A 142 5.579 -1.833 -10.898 1.00 1.52 C ATOM 352 CD LYS A 142 4.880 -1.403 -12.173 1.00 1.88 C ATOM 353 CE LYS A 142 5.851 -1.289 -13.338 1.00 2.60 C ATOM 354 NZ LYS A 142 6.712 -0.082 -13.228 1.00 3.19 N ATOM 0 H LYS A 142 6.784 -1.025 -8.588 1.00 0.49 H new ATOM 0 HA LYS A 142 4.484 -2.283 -7.619 1.00 0.65 H new ATOM 0 HB2 LYS A 142 3.691 -2.159 -9.950 1.00 0.85 H new ATOM 0 HB3 LYS A 142 4.483 -0.668 -9.480 1.00 0.85 H new ATOM 0 HG2 LYS A 142 6.462 -1.214 -10.739 1.00 1.52 H new ATOM 0 HG3 LYS A 142 5.924 -2.862 -11.000 1.00 1.52 H new ATOM 0 HD2 LYS A 142 4.099 -2.122 -12.420 1.00 1.88 H new ATOM 0 HD3 LYS A 142 4.390 -0.443 -12.013 1.00 1.88 H new ATOM 0 HE2 LYS A 142 6.478 -2.180 -13.376 1.00 2.60 H new ATOM 0 HE3 LYS A 142 5.293 -1.252 -14.273 1.00 2.60 H new ATOM 0 HZ1 LYS A 142 6.705 0.433 -14.132 1.00 3.19 H new ATOM 0 HZ2 LYS A 142 6.349 0.536 -12.474 1.00 3.19 H new ATOM 0 HZ3 LYS A 142 7.685 -0.369 -13.001 1.00 3.19 H new ATOM 368 N THR A 143 6.597 -4.356 -8.858 1.00 0.69 N ATOM 369 CA THR A 143 6.863 -5.756 -9.147 1.00 0.84 C ATOM 370 C THR A 143 6.908 -6.589 -7.864 1.00 0.84 C ATOM 371 O THR A 143 6.481 -7.744 -7.842 1.00 1.10 O ATOM 372 CB THR A 143 8.192 -5.909 -9.906 1.00 0.95 C ATOM 373 OG1 THR A 143 8.269 -4.923 -10.947 1.00 1.38 O ATOM 374 CG2 THR A 143 8.314 -7.298 -10.511 1.00 1.47 C ATOM 0 H THR A 143 7.431 -3.774 -8.782 1.00 0.69 H new ATOM 0 HA THR A 143 6.048 -6.122 -9.771 1.00 0.84 H new ATOM 0 HB THR A 143 9.010 -5.766 -9.200 1.00 0.95 H new ATOM 0 HG1 THR A 143 9.117 -5.021 -11.428 1.00 1.38 H new ATOM 0 HG21 THR A 143 9.262 -7.381 -11.042 1.00 1.47 H new ATOM 0 HG22 THR A 143 8.276 -8.045 -9.718 1.00 1.47 H new ATOM 0 HG23 THR A 143 7.492 -7.465 -11.207 1.00 1.47 H new ATOM 382 N CYS A 144 7.403 -5.987 -6.791 1.00 0.68 N ATOM 383 CA CYS A 144 7.577 -6.687 -5.524 1.00 0.76 C ATOM 384 C CYS A 144 6.436 -6.371 -4.574 1.00 0.81 C ATOM 385 O CYS A 144 6.167 -7.124 -3.634 1.00 0.96 O ATOM 386 CB CYS A 144 8.872 -6.235 -4.884 1.00 0.73 C ATOM 387 SG CYS A 144 8.853 -4.464 -4.485 1.00 1.14 S ATOM 0 H CYS A 144 7.693 -5.009 -6.773 1.00 0.68 H new ATOM 0 HA CYS A 144 7.594 -7.759 -5.719 1.00 0.76 H new ATOM 0 HB2 CYS A 144 9.046 -6.810 -3.974 1.00 0.73 H new ATOM 0 HB3 CYS A 144 9.702 -6.446 -5.558 1.00 0.73 H new ATOM 0 HG CYS A 144 7.904 -3.879 -5.153 1.00 1.14 H new ATOM 392 N PHE A 145 5.812 -5.222 -4.803 1.00 0.80 N ATOM 393 CA PHE A 145 4.704 -4.748 -3.993 1.00 0.86 C ATOM 394 C PHE A 145 3.484 -5.616 -4.235 1.00 0.79 C ATOM 395 O PHE A 145 2.509 -5.199 -4.858 1.00 0.81 O ATOM 396 CB PHE A 145 4.407 -3.291 -4.335 1.00 0.94 C ATOM 397 CG PHE A 145 3.523 -2.599 -3.347 1.00 0.97 C ATOM 398 CD1 PHE A 145 3.819 -2.630 -1.997 1.00 1.03 C ATOM 399 CD2 PHE A 145 2.404 -1.904 -3.772 1.00 1.05 C ATOM 400 CE1 PHE A 145 3.014 -1.984 -1.087 1.00 1.10 C ATOM 401 CE2 PHE A 145 1.597 -1.255 -2.868 1.00 1.13 C ATOM 402 CZ PHE A 145 1.903 -1.294 -1.523 1.00 1.13 C ATOM 0 H PHE A 145 6.065 -4.590 -5.563 1.00 0.80 H new ATOM 0 HA PHE A 145 4.969 -4.811 -2.937 1.00 0.86 H new ATOM 0 HB2 PHE A 145 5.349 -2.747 -4.407 1.00 0.94 H new ATOM 0 HB3 PHE A 145 3.938 -3.248 -5.318 1.00 0.94 H new ATOM 0 HD1 PHE A 145 4.691 -3.167 -1.653 1.00 1.03 H new ATOM 0 HD2 PHE A 145 2.163 -1.871 -4.824 1.00 1.05 H new ATOM 0 HE1 PHE A 145 3.252 -2.017 -0.034 1.00 1.10 H new ATOM 0 HE2 PHE A 145 0.726 -0.716 -3.210 1.00 1.13 H new ATOM 0 HZ PHE A 145 1.271 -0.783 -0.811 1.00 1.13 H new ATOM 412 N ARG A 146 3.573 -6.830 -3.742 1.00 0.76 N ATOM 413 CA ARG A 146 2.561 -7.836 -3.936 1.00 0.69 C ATOM 414 C ARG A 146 2.359 -8.598 -2.643 1.00 0.66 C ATOM 415 O ARG A 146 3.316 -8.841 -1.903 1.00 0.95 O ATOM 416 CB ARG A 146 3.005 -8.796 -5.044 1.00 0.77 C ATOM 417 CG ARG A 146 4.347 -9.450 -4.777 1.00 1.08 C ATOM 418 CD ARG A 146 4.767 -10.362 -5.911 1.00 1.13 C ATOM 419 NE ARG A 146 6.085 -10.943 -5.671 1.00 1.61 N ATOM 420 CZ ARG A 146 6.948 -11.251 -6.638 1.00 1.86 C ATOM 421 NH1 ARG A 146 6.626 -11.071 -7.913 1.00 1.73 N ATOM 422 NH2 ARG A 146 8.142 -11.736 -6.331 1.00 2.78 N ATOM 0 H ARG A 146 4.366 -7.149 -3.185 1.00 0.76 H new ATOM 0 HA ARG A 146 1.622 -7.365 -4.226 1.00 0.69 H new ATOM 0 HB2 ARG A 146 2.249 -9.572 -5.165 1.00 0.77 H new ATOM 0 HB3 ARG A 146 3.057 -8.251 -5.987 1.00 0.77 H new ATOM 0 HG2 ARG A 146 5.104 -8.679 -4.632 1.00 1.08 H new ATOM 0 HG3 ARG A 146 4.294 -10.023 -3.851 1.00 1.08 H new ATOM 0 HD2 ARG A 146 4.033 -11.159 -6.029 1.00 1.13 H new ATOM 0 HD3 ARG A 146 4.781 -9.800 -6.845 1.00 1.13 H new ATOM 0 HE ARG A 146 6.361 -11.124 -4.706 1.00 1.61 H new ATOM 0 HH11 ARG A 146 5.711 -10.694 -8.160 1.00 1.73 H new ATOM 0 HH12 ARG A 146 7.294 -11.310 -8.646 1.00 1.73 H new ATOM 0 HH21 ARG A 146 8.401 -11.874 -5.354 1.00 2.78 H new ATOM 0 HH22 ARG A 146 8.803 -11.972 -7.072 1.00 2.78 H new ATOM 436 N CYS A 147 1.125 -8.955 -2.351 1.00 0.42 N ATOM 437 CA CYS A 147 0.861 -9.765 -1.192 1.00 0.43 C ATOM 438 C CYS A 147 1.236 -11.202 -1.509 1.00 0.52 C ATOM 439 O CYS A 147 0.958 -11.709 -2.619 1.00 0.53 O ATOM 440 CB CYS A 147 -0.595 -9.657 -0.760 1.00 0.43 C ATOM 441 SG CYS A 147 -1.549 -11.184 -0.942 1.00 0.68 S ATOM 0 H CYS A 147 0.302 -8.698 -2.896 1.00 0.42 H new ATOM 0 HA CYS A 147 1.462 -9.408 -0.356 1.00 0.43 H new ATOM 0 HB2 CYS A 147 -0.629 -9.345 0.284 1.00 0.43 H new ATOM 0 HB3 CYS A 147 -1.076 -8.872 -1.343 1.00 0.43 H new ATOM 0 HG CYS A 147 -2.816 -10.900 -0.998 1.00 0.68 H new ATOM 446 N ALA A 148 1.902 -11.828 -0.546 1.00 0.67 N ATOM 447 CA ALA A 148 2.398 -13.188 -0.688 1.00 0.82 C ATOM 448 C ALA A 148 1.279 -14.219 -0.591 1.00 0.84 C ATOM 449 O ALA A 148 1.526 -15.416 -0.738 1.00 0.98 O ATOM 450 CB ALA A 148 3.462 -13.465 0.363 1.00 1.02 C ATOM 0 H ALA A 148 2.113 -11.404 0.357 1.00 0.67 H new ATOM 0 HA ALA A 148 2.836 -13.277 -1.682 1.00 0.82 H new ATOM 0 HB1 ALA A 148 3.828 -14.485 0.250 1.00 1.02 H new ATOM 0 HB2 ALA A 148 4.289 -12.766 0.236 1.00 1.02 H new ATOM 0 HB3 ALA A 148 3.032 -13.342 1.357 1.00 1.02 H new ATOM 456 N ILE A 149 0.058 -13.768 -0.334 1.00 0.76 N ATOM 457 CA ILE A 149 -1.072 -14.680 -0.230 1.00 0.84 C ATOM 458 C ILE A 149 -1.505 -15.141 -1.614 1.00 0.85 C ATOM 459 O ILE A 149 -1.792 -16.319 -1.825 1.00 1.00 O ATOM 460 CB ILE A 149 -2.273 -14.039 0.503 1.00 0.82 C ATOM 461 CG1 ILE A 149 -1.893 -13.692 1.945 1.00 0.86 C ATOM 462 CG2 ILE A 149 -3.481 -14.971 0.477 1.00 0.97 C ATOM 463 CD1 ILE A 149 -3.026 -13.075 2.740 1.00 1.02 C ATOM 0 H ILE A 149 -0.174 -12.784 -0.195 1.00 0.76 H new ATOM 0 HA ILE A 149 -0.741 -15.536 0.358 1.00 0.84 H new ATOM 0 HB ILE A 149 -2.542 -13.119 -0.016 1.00 0.82 H new ATOM 0 HG12 ILE A 149 -1.556 -14.597 2.451 1.00 0.86 H new ATOM 0 HG13 ILE A 149 -1.050 -13.001 1.933 1.00 0.86 H new ATOM 0 HG21 ILE A 149 -4.315 -14.501 0.998 1.00 0.97 H new ATOM 0 HG22 ILE A 149 -3.765 -15.170 -0.556 1.00 0.97 H new ATOM 0 HG23 ILE A 149 -3.227 -15.909 0.971 1.00 0.97 H new ATOM 0 HD11 ILE A 149 -2.684 -12.856 3.751 1.00 1.02 H new ATOM 0 HD12 ILE A 149 -3.348 -12.152 2.258 1.00 1.02 H new ATOM 0 HD13 ILE A 149 -3.862 -13.773 2.783 1.00 1.02 H new ATOM 475 N CYS A 150 -1.532 -14.220 -2.564 1.00 0.73 N ATOM 476 CA CYS A 150 -1.960 -14.553 -3.904 1.00 0.79 C ATOM 477 C CYS A 150 -0.803 -14.388 -4.881 1.00 0.75 C ATOM 478 O CYS A 150 -0.833 -14.904 -5.999 1.00 0.87 O ATOM 479 CB CYS A 150 -3.125 -13.654 -4.302 1.00 0.78 C ATOM 480 SG CYS A 150 -2.680 -11.897 -4.419 1.00 0.82 S ATOM 0 H CYS A 150 -1.264 -13.245 -2.430 1.00 0.73 H new ATOM 0 HA CYS A 150 -2.286 -15.593 -3.931 1.00 0.79 H new ATOM 0 HB2 CYS A 150 -3.517 -13.986 -5.263 1.00 0.78 H new ATOM 0 HB3 CYS A 150 -3.928 -13.769 -3.573 1.00 0.78 H new ATOM 0 HG CYS A 150 -2.237 -11.484 -3.269 1.00 0.82 H new ATOM 485 N GLY A 151 0.219 -13.662 -4.437 1.00 0.66 N ATOM 486 CA GLY A 151 1.357 -13.371 -5.281 1.00 0.70 C ATOM 487 C GLY A 151 1.062 -12.229 -6.228 1.00 0.66 C ATOM 488 O GLY A 151 1.712 -12.083 -7.264 1.00 0.76 O ATOM 0 H GLY A 151 0.276 -13.268 -3.498 1.00 0.66 H new ATOM 0 HA2 GLY A 151 2.217 -13.119 -4.661 1.00 0.70 H new ATOM 0 HA3 GLY A 151 1.625 -14.260 -5.852 1.00 0.70 H new ATOM 492 N LYS A 152 0.095 -11.400 -5.860 1.00 0.58 N ATOM 493 CA LYS A 152 -0.385 -10.359 -6.759 1.00 0.64 C ATOM 494 C LYS A 152 -0.032 -8.971 -6.255 1.00 0.56 C ATOM 495 O LYS A 152 -0.128 -8.689 -5.062 1.00 0.50 O ATOM 496 CB LYS A 152 -1.891 -10.478 -6.937 1.00 0.80 C ATOM 497 CG LYS A 152 -2.529 -9.347 -7.714 1.00 0.89 C ATOM 498 CD LYS A 152 -4.029 -9.354 -7.506 1.00 1.39 C ATOM 499 CE LYS A 152 -4.386 -9.019 -6.066 1.00 1.75 C ATOM 500 NZ LYS A 152 -3.837 -7.701 -5.635 1.00 2.37 N ATOM 0 H LYS A 152 -0.370 -11.427 -4.952 1.00 0.58 H new ATOM 0 HA LYS A 152 0.110 -10.499 -7.720 1.00 0.64 H new ATOM 0 HB2 LYS A 152 -2.110 -11.418 -7.444 1.00 0.80 H new ATOM 0 HB3 LYS A 152 -2.356 -10.532 -5.953 1.00 0.80 H new ATOM 0 HG2 LYS A 152 -2.114 -8.393 -7.390 1.00 0.89 H new ATOM 0 HG3 LYS A 152 -2.301 -9.450 -8.775 1.00 0.89 H new ATOM 0 HD2 LYS A 152 -4.495 -8.632 -8.176 1.00 1.39 H new ATOM 0 HD3 LYS A 152 -4.430 -10.334 -7.764 1.00 1.39 H new ATOM 0 HE2 LYS A 152 -5.470 -9.011 -5.956 1.00 1.75 H new ATOM 0 HE3 LYS A 152 -4.005 -9.801 -5.409 1.00 1.75 H new ATOM 0 HZ1 LYS A 152 -3.366 -7.806 -4.714 1.00 2.37 H new ATOM 0 HZ2 LYS A 152 -3.149 -7.364 -6.339 1.00 2.37 H new ATOM 0 HZ3 LYS A 152 -4.612 -7.013 -5.551 1.00 2.37 H new ATOM 514 N SER A 153 0.357 -8.109 -7.187 1.00 0.67 N ATOM 515 CA SER A 153 0.820 -6.769 -6.871 1.00 0.73 C ATOM 516 C SER A 153 -0.324 -5.849 -6.445 1.00 0.76 C ATOM 517 O SER A 153 -1.506 -6.150 -6.654 1.00 0.94 O ATOM 518 CB SER A 153 1.549 -6.186 -8.084 1.00 0.91 C ATOM 519 OG SER A 153 0.791 -6.370 -9.270 1.00 1.46 O ATOM 0 H SER A 153 0.359 -8.323 -8.184 1.00 0.67 H new ATOM 0 HA SER A 153 1.504 -6.839 -6.025 1.00 0.73 H new ATOM 0 HB2 SER A 153 1.732 -5.123 -7.926 1.00 0.91 H new ATOM 0 HB3 SER A 153 2.522 -6.664 -8.192 1.00 0.91 H new ATOM 0 HG SER A 153 1.276 -5.988 -10.031 1.00 1.46 H new ATOM 525 N LEU A 154 0.056 -4.738 -5.829 1.00 0.71 N ATOM 526 CA LEU A 154 -0.875 -3.716 -5.378 1.00 0.76 C ATOM 527 C LEU A 154 -0.464 -2.369 -5.956 1.00 0.92 C ATOM 528 O LEU A 154 0.522 -2.281 -6.693 1.00 1.13 O ATOM 529 CB LEU A 154 -0.885 -3.668 -3.849 1.00 0.70 C ATOM 530 CG LEU A 154 -1.390 -4.944 -3.180 1.00 0.70 C ATOM 531 CD1 LEU A 154 -1.159 -4.891 -1.681 1.00 0.85 C ATOM 532 CD2 LEU A 154 -2.865 -5.134 -3.491 1.00 0.86 C ATOM 0 H LEU A 154 1.032 -4.520 -5.627 1.00 0.71 H new ATOM 0 HA LEU A 154 -1.881 -3.954 -5.723 1.00 0.76 H new ATOM 0 HB2 LEU A 154 0.126 -3.464 -3.498 1.00 0.70 H new ATOM 0 HB3 LEU A 154 -1.508 -2.833 -3.528 1.00 0.70 H new ATOM 0 HG LEU A 154 -0.833 -5.795 -3.573 1.00 0.70 H new ATOM 0 HD11 LEU A 154 -1.526 -5.810 -1.224 1.00 0.85 H new ATOM 0 HD12 LEU A 154 -0.093 -4.787 -1.481 1.00 0.85 H new ATOM 0 HD13 LEU A 154 -1.692 -4.038 -1.261 1.00 0.85 H new ATOM 0 HD21 LEU A 154 -3.223 -6.045 -3.012 1.00 0.86 H new ATOM 0 HD22 LEU A 154 -3.429 -4.281 -3.115 1.00 0.86 H new ATOM 0 HD23 LEU A 154 -3.002 -5.212 -4.569 1.00 0.86 H new ATOM 544 N GLU A 155 -1.216 -1.321 -5.631 1.00 1.24 N ATOM 545 CA GLU A 155 -0.967 -0.003 -6.204 1.00 1.53 C ATOM 546 C GLU A 155 -1.076 1.090 -5.143 1.00 1.73 C ATOM 547 O GLU A 155 -0.066 1.594 -4.645 1.00 2.45 O ATOM 548 CB GLU A 155 -1.963 0.272 -7.335 1.00 1.96 C ATOM 549 CG GLU A 155 -1.891 -0.736 -8.469 1.00 2.39 C ATOM 550 CD GLU A 155 -3.044 -0.606 -9.437 1.00 3.01 C ATOM 551 OE1 GLU A 155 -4.142 -1.118 -9.134 1.00 3.54 O ATOM 552 OE2 GLU A 155 -2.861 0.027 -10.497 1.00 3.46 O ATOM 0 H GLU A 155 -1.998 -1.359 -4.978 1.00 1.24 H new ATOM 0 HA GLU A 155 0.048 0.007 -6.601 1.00 1.53 H new ATOM 0 HB2 GLU A 155 -2.973 0.274 -6.925 1.00 1.96 H new ATOM 0 HB3 GLU A 155 -1.779 1.269 -7.735 1.00 1.96 H new ATOM 0 HG2 GLU A 155 -0.953 -0.605 -9.008 1.00 2.39 H new ATOM 0 HG3 GLU A 155 -1.882 -1.744 -8.054 1.00 2.39 H new ATOM 559 N SER A 156 -2.306 1.434 -4.790 1.00 1.83 N ATOM 560 CA SER A 156 -2.562 2.503 -3.846 1.00 2.22 C ATOM 561 C SER A 156 -3.984 2.381 -3.312 1.00 1.96 C ATOM 562 O SER A 156 -4.879 1.930 -4.028 1.00 2.65 O ATOM 563 CB SER A 156 -2.358 3.862 -4.528 1.00 3.04 C ATOM 564 OG SER A 156 -2.460 4.936 -3.607 1.00 3.58 O ATOM 0 H SER A 156 -3.147 0.981 -5.149 1.00 1.83 H new ATOM 0 HA SER A 156 -1.864 2.427 -3.012 1.00 2.22 H new ATOM 0 HB2 SER A 156 -1.379 3.885 -5.006 1.00 3.04 H new ATOM 0 HB3 SER A 156 -3.100 3.988 -5.316 1.00 3.04 H new ATOM 0 HG SER A 156 -2.323 5.785 -4.078 1.00 3.58 H new ATOM 570 N THR A 157 -4.165 2.765 -2.051 1.00 1.62 N ATOM 571 CA THR A 157 -5.461 2.707 -1.362 1.00 1.69 C ATOM 572 C THR A 157 -6.111 1.323 -1.447 1.00 1.51 C ATOM 573 O THR A 157 -7.332 1.189 -1.356 1.00 2.11 O ATOM 574 CB THR A 157 -6.444 3.791 -1.865 1.00 2.15 C ATOM 575 OG1 THR A 157 -6.544 3.779 -3.295 1.00 2.66 O ATOM 576 CG2 THR A 157 -6.006 5.173 -1.396 1.00 2.67 C ATOM 0 H THR A 157 -3.411 3.130 -1.469 1.00 1.62 H new ATOM 0 HA THR A 157 -5.242 2.909 -0.314 1.00 1.69 H new ATOM 0 HB THR A 157 -7.424 3.563 -1.446 1.00 2.15 H new ATOM 0 HG1 THR A 157 -6.282 2.898 -3.634 1.00 2.66 H new ATOM 0 HG21 THR A 157 -6.710 5.921 -1.760 1.00 2.67 H new ATOM 0 HG22 THR A 157 -5.982 5.197 -0.307 1.00 2.67 H new ATOM 0 HG23 THR A 157 -5.012 5.391 -1.785 1.00 2.67 H new ATOM 584 N ASN A 158 -5.285 0.296 -1.613 1.00 1.17 N ATOM 585 CA ASN A 158 -5.758 -1.081 -1.646 1.00 1.14 C ATOM 586 C ASN A 158 -4.733 -1.988 -0.982 1.00 0.94 C ATOM 587 O ASN A 158 -4.639 -3.180 -1.280 1.00 1.16 O ATOM 588 CB ASN A 158 -6.035 -1.533 -3.091 1.00 1.38 C ATOM 589 CG ASN A 158 -4.784 -1.680 -3.949 1.00 1.61 C ATOM 590 OD1 ASN A 158 -3.765 -1.023 -3.729 1.00 2.30 O ATOM 591 ND2 ASN A 158 -4.867 -2.538 -4.956 1.00 2.09 N ATOM 0 H ASN A 158 -4.276 0.394 -1.728 1.00 1.17 H new ATOM 0 HA ASN A 158 -6.697 -1.145 -1.096 1.00 1.14 H new ATOM 0 HB2 ASN A 158 -6.560 -2.488 -3.067 1.00 1.38 H new ATOM 0 HB3 ASN A 158 -6.704 -0.813 -3.563 1.00 1.38 H new ATOM 0 HD21 ASN A 158 -4.071 -2.671 -5.579 1.00 2.09 H new ATOM 0 HD22 ASN A 158 -5.727 -3.065 -5.108 1.00 2.09 H new ATOM 598 N VAL A 159 -3.978 -1.402 -0.060 1.00 0.79 N ATOM 599 CA VAL A 159 -2.874 -2.091 0.586 1.00 0.72 C ATOM 600 C VAL A 159 -3.060 -2.101 2.098 1.00 0.69 C ATOM 601 O VAL A 159 -3.297 -1.057 2.707 1.00 0.83 O ATOM 602 CB VAL A 159 -1.529 -1.409 0.266 1.00 0.94 C ATOM 603 CG1 VAL A 159 -0.368 -2.245 0.786 1.00 1.27 C ATOM 604 CG2 VAL A 159 -1.394 -1.146 -1.228 1.00 1.59 C ATOM 0 H VAL A 159 -4.115 -0.442 0.257 1.00 0.79 H new ATOM 0 HA VAL A 159 -2.863 -3.112 0.204 1.00 0.72 H new ATOM 0 HB VAL A 159 -1.504 -0.445 0.774 1.00 0.94 H new ATOM 0 HG11 VAL A 159 0.573 -1.747 0.551 1.00 1.27 H new ATOM 0 HG12 VAL A 159 -0.457 -2.360 1.866 1.00 1.27 H new ATOM 0 HG13 VAL A 159 -0.387 -3.227 0.314 1.00 1.27 H new ATOM 0 HG21 VAL A 159 -0.437 -0.664 -1.428 1.00 1.59 H new ATOM 0 HG22 VAL A 159 -1.445 -2.090 -1.770 1.00 1.59 H new ATOM 0 HG23 VAL A 159 -2.204 -0.495 -1.557 1.00 1.59 H new ATOM 614 N THR A 160 -2.964 -3.276 2.698 1.00 0.62 N ATOM 615 CA THR A 160 -3.014 -3.402 4.146 1.00 0.67 C ATOM 616 C THR A 160 -1.981 -4.426 4.607 1.00 0.70 C ATOM 617 O THR A 160 -2.065 -5.596 4.250 1.00 0.81 O ATOM 618 CB THR A 160 -4.417 -3.824 4.623 1.00 0.71 C ATOM 619 OG1 THR A 160 -5.400 -2.951 4.054 1.00 1.16 O ATOM 620 CG2 THR A 160 -4.514 -3.774 6.138 1.00 1.08 C ATOM 0 H THR A 160 -2.850 -4.160 2.202 1.00 0.62 H new ATOM 0 HA THR A 160 -2.788 -2.429 4.581 1.00 0.67 H new ATOM 0 HB THR A 160 -4.597 -4.849 4.298 1.00 0.71 H new ATOM 0 HG1 THR A 160 -6.292 -3.221 4.357 1.00 1.16 H new ATOM 0 HG21 THR A 160 -5.514 -4.076 6.449 1.00 1.08 H new ATOM 0 HG22 THR A 160 -3.779 -4.451 6.572 1.00 1.08 H new ATOM 0 HG23 THR A 160 -4.319 -2.758 6.482 1.00 1.08 H new ATOM 628 N ASP A 161 -1.000 -3.983 5.378 1.00 0.82 N ATOM 629 CA ASP A 161 0.108 -4.850 5.757 1.00 0.93 C ATOM 630 C ASP A 161 0.002 -5.309 7.206 1.00 0.96 C ATOM 631 O ASP A 161 -0.792 -4.783 7.991 1.00 1.06 O ATOM 632 CB ASP A 161 1.445 -4.132 5.551 1.00 1.18 C ATOM 633 CG ASP A 161 1.704 -3.063 6.593 1.00 1.61 C ATOM 634 OD1 ASP A 161 1.167 -1.943 6.440 1.00 2.27 O ATOM 635 OD2 ASP A 161 2.442 -3.340 7.564 1.00 2.13 O ATOM 0 H ASP A 161 -0.947 -3.036 5.752 1.00 0.82 H new ATOM 0 HA ASP A 161 0.058 -5.730 5.115 1.00 0.93 H new ATOM 0 HB2 ASP A 161 2.253 -4.863 5.579 1.00 1.18 H new ATOM 0 HB3 ASP A 161 1.460 -3.678 4.560 1.00 1.18 H new ATOM 640 N LYS A 162 0.798 -6.311 7.537 1.00 0.98 N ATOM 641 CA LYS A 162 0.928 -6.781 8.901 1.00 1.10 C ATOM 642 C LYS A 162 2.407 -6.870 9.254 1.00 1.22 C ATOM 643 O LYS A 162 3.102 -7.803 8.836 1.00 1.27 O ATOM 644 CB LYS A 162 0.252 -8.145 9.075 1.00 1.17 C ATOM 645 CG LYS A 162 0.294 -8.692 10.496 1.00 1.55 C ATOM 646 CD LYS A 162 -0.565 -7.871 11.449 1.00 1.86 C ATOM 647 CE LYS A 162 -0.571 -8.462 12.852 1.00 2.36 C ATOM 648 NZ LYS A 162 0.740 -8.305 13.538 1.00 2.95 N ATOM 0 H LYS A 162 1.372 -6.821 6.865 1.00 0.98 H new ATOM 0 HA LYS A 162 0.433 -6.079 9.572 1.00 1.10 H new ATOM 0 HB2 LYS A 162 -0.789 -8.064 8.761 1.00 1.17 H new ATOM 0 HB3 LYS A 162 0.731 -8.862 8.408 1.00 1.17 H new ATOM 0 HG2 LYS A 162 -0.051 -9.726 10.497 1.00 1.55 H new ATOM 0 HG3 LYS A 162 1.324 -8.699 10.851 1.00 1.55 H new ATOM 0 HD2 LYS A 162 -0.191 -6.848 11.487 1.00 1.86 H new ATOM 0 HD3 LYS A 162 -1.586 -7.823 11.070 1.00 1.86 H new ATOM 0 HE2 LYS A 162 -1.348 -7.978 13.444 1.00 2.36 H new ATOM 0 HE3 LYS A 162 -0.825 -9.521 12.797 1.00 2.36 H new ATOM 0 HZ1 LYS A 162 0.951 -9.164 14.085 1.00 2.95 H new ATOM 0 HZ2 LYS A 162 1.486 -8.153 12.830 1.00 2.95 H new ATOM 0 HZ3 LYS A 162 0.700 -7.487 14.180 1.00 2.95 H new ATOM 662 N ASP A 163 2.886 -5.866 9.981 1.00 1.37 N ATOM 663 CA ASP A 163 4.287 -5.791 10.403 1.00 1.58 C ATOM 664 C ASP A 163 5.212 -5.636 9.200 1.00 1.48 C ATOM 665 O ASP A 163 6.364 -6.081 9.227 1.00 1.94 O ATOM 666 CB ASP A 163 4.709 -7.026 11.213 1.00 1.83 C ATOM 667 CG ASP A 163 3.824 -7.282 12.416 1.00 2.42 C ATOM 668 OD1 ASP A 163 3.919 -6.528 13.411 1.00 2.80 O ATOM 669 OD2 ASP A 163 3.028 -8.245 12.373 1.00 2.97 O ATOM 0 H ASP A 163 2.317 -5.080 10.296 1.00 1.37 H new ATOM 0 HA ASP A 163 4.375 -4.913 11.043 1.00 1.58 H new ATOM 0 HB2 ASP A 163 4.691 -7.902 10.564 1.00 1.83 H new ATOM 0 HB3 ASP A 163 5.738 -6.898 11.548 1.00 1.83 H new ATOM 674 N GLY A 164 4.711 -5.008 8.147 1.00 1.41 N ATOM 675 CA GLY A 164 5.526 -4.779 6.973 1.00 1.46 C ATOM 676 C GLY A 164 5.221 -5.730 5.831 1.00 1.29 C ATOM 677 O GLY A 164 5.610 -5.473 4.691 1.00 1.45 O ATOM 0 H GLY A 164 3.757 -4.654 8.085 1.00 1.41 H new ATOM 0 HA2 GLY A 164 5.378 -3.754 6.632 1.00 1.46 H new ATOM 0 HA3 GLY A 164 6.577 -4.876 7.245 1.00 1.46 H new ATOM 681 N GLU A 165 4.543 -6.833 6.123 1.00 1.10 N ATOM 682 CA GLU A 165 4.181 -7.784 5.077 1.00 1.01 C ATOM 683 C GLU A 165 2.875 -7.353 4.425 1.00 0.86 C ATOM 684 O GLU A 165 1.821 -7.354 5.061 1.00 0.92 O ATOM 685 CB GLU A 165 4.066 -9.210 5.632 1.00 1.13 C ATOM 686 CG GLU A 165 3.944 -10.263 4.539 1.00 1.48 C ATOM 687 CD GLU A 165 3.967 -11.682 5.067 1.00 1.70 C ATOM 688 OE1 GLU A 165 5.059 -12.171 5.427 1.00 2.17 O ATOM 689 OE2 GLU A 165 2.899 -12.328 5.103 1.00 2.21 O ATOM 0 H GLU A 165 4.236 -7.090 7.061 1.00 1.10 H new ATOM 0 HA GLU A 165 4.972 -7.790 4.327 1.00 1.01 H new ATOM 0 HB2 GLU A 165 4.941 -9.428 6.244 1.00 1.13 H new ATOM 0 HB3 GLU A 165 3.197 -9.271 6.287 1.00 1.13 H new ATOM 0 HG2 GLU A 165 3.015 -10.102 3.991 1.00 1.48 H new ATOM 0 HG3 GLU A 165 4.760 -10.134 3.828 1.00 1.48 H new ATOM 696 N LEU A 166 2.962 -6.972 3.154 1.00 0.77 N ATOM 697 CA LEU A 166 1.833 -6.390 2.439 1.00 0.65 C ATOM 698 C LEU A 166 0.781 -7.442 2.113 1.00 0.55 C ATOM 699 O LEU A 166 1.107 -8.580 1.766 1.00 0.63 O ATOM 700 CB LEU A 166 2.289 -5.717 1.132 1.00 0.71 C ATOM 701 CG LEU A 166 3.396 -4.659 1.248 1.00 0.86 C ATOM 702 CD1 LEU A 166 3.136 -3.705 2.404 1.00 1.25 C ATOM 703 CD2 LEU A 166 4.760 -5.319 1.383 1.00 1.21 C ATOM 0 H LEU A 166 3.811 -7.057 2.595 1.00 0.77 H new ATOM 0 HA LEU A 166 1.396 -5.639 3.098 1.00 0.65 H new ATOM 0 HB2 LEU A 166 2.633 -6.495 0.451 1.00 0.71 H new ATOM 0 HB3 LEU A 166 1.420 -5.250 0.669 1.00 0.71 H new ATOM 0 HG LEU A 166 3.390 -4.071 0.330 1.00 0.86 H new ATOM 0 HD11 LEU A 166 3.939 -2.970 2.457 1.00 1.25 H new ATOM 0 HD12 LEU A 166 2.186 -3.194 2.248 1.00 1.25 H new ATOM 0 HD13 LEU A 166 3.097 -4.267 3.337 1.00 1.25 H new ATOM 0 HD21 LEU A 166 5.529 -4.551 1.464 1.00 1.21 H new ATOM 0 HD22 LEU A 166 4.775 -5.943 2.276 1.00 1.21 H new ATOM 0 HD23 LEU A 166 4.954 -5.936 0.506 1.00 1.21 H new ATOM 715 N TYR A 167 -0.477 -7.052 2.248 1.00 0.46 N ATOM 716 CA TYR A 167 -1.600 -7.873 1.825 1.00 0.38 C ATOM 717 C TYR A 167 -2.569 -7.018 1.017 1.00 0.33 C ATOM 718 O TYR A 167 -2.732 -5.826 1.293 1.00 0.45 O ATOM 719 CB TYR A 167 -2.333 -8.459 3.031 1.00 0.46 C ATOM 720 CG TYR A 167 -1.477 -9.299 3.953 1.00 0.62 C ATOM 721 CD1 TYR A 167 -0.917 -10.492 3.518 1.00 0.74 C ATOM 722 CD2 TYR A 167 -1.246 -8.906 5.265 1.00 0.79 C ATOM 723 CE1 TYR A 167 -0.154 -11.271 4.364 1.00 0.94 C ATOM 724 CE2 TYR A 167 -0.480 -9.678 6.115 1.00 0.97 C ATOM 725 CZ TYR A 167 0.063 -10.857 5.659 1.00 1.03 C ATOM 726 OH TYR A 167 0.820 -11.634 6.509 1.00 1.23 O ATOM 0 H TYR A 167 -0.748 -6.157 2.654 1.00 0.46 H new ATOM 0 HA TYR A 167 -1.220 -8.694 1.217 1.00 0.38 H new ATOM 0 HB2 TYR A 167 -2.766 -7.641 3.607 1.00 0.46 H new ATOM 0 HB3 TYR A 167 -3.161 -9.070 2.672 1.00 0.46 H new ATOM 0 HD1 TYR A 167 -1.081 -10.816 2.501 1.00 0.74 H new ATOM 0 HD2 TYR A 167 -1.672 -7.982 5.626 1.00 0.79 H new ATOM 0 HE1 TYR A 167 0.270 -12.200 4.012 1.00 0.94 H new ATOM 0 HE2 TYR A 167 -0.308 -9.358 7.132 1.00 0.97 H new ATOM 0 HH TYR A 167 1.696 -11.803 6.104 1.00 1.23 H new ATOM 736 N CYS A 168 -3.191 -7.621 0.012 1.00 0.30 N ATOM 737 CA CYS A 168 -4.200 -6.935 -0.778 1.00 0.38 C ATOM 738 C CYS A 168 -5.413 -6.626 0.084 1.00 0.45 C ATOM 739 O CYS A 168 -5.697 -7.342 1.039 1.00 0.47 O ATOM 740 CB CYS A 168 -4.633 -7.806 -1.957 1.00 0.46 C ATOM 741 SG CYS A 168 -3.257 -8.522 -2.906 1.00 0.52 S ATOM 0 H CYS A 168 -3.013 -8.584 -0.274 1.00 0.30 H new ATOM 0 HA CYS A 168 -3.771 -6.006 -1.154 1.00 0.38 H new ATOM 0 HB2 CYS A 168 -5.261 -8.615 -1.584 1.00 0.46 H new ATOM 0 HB3 CYS A 168 -5.249 -7.208 -2.628 1.00 0.46 H new ATOM 0 HG CYS A 168 -2.730 -9.502 -2.234 1.00 0.52 H new ATOM 746 N LYS A 169 -6.132 -5.569 -0.268 1.00 0.60 N ATOM 747 CA LYS A 169 -7.364 -5.211 0.421 1.00 0.72 C ATOM 748 C LYS A 169 -8.368 -6.362 0.330 1.00 0.69 C ATOM 749 O LYS A 169 -9.220 -6.540 1.204 1.00 0.75 O ATOM 750 CB LYS A 169 -7.951 -3.941 -0.201 1.00 0.94 C ATOM 751 CG LYS A 169 -9.245 -3.477 0.447 1.00 1.57 C ATOM 752 CD LYS A 169 -9.784 -2.220 -0.212 1.00 1.97 C ATOM 753 CE LYS A 169 -11.141 -1.837 0.355 1.00 2.66 C ATOM 754 NZ LYS A 169 -12.192 -2.836 0.018 1.00 3.12 N ATOM 0 H LYS A 169 -5.881 -4.941 -1.032 1.00 0.60 H new ATOM 0 HA LYS A 169 -7.147 -5.022 1.472 1.00 0.72 H new ATOM 0 HB2 LYS A 169 -7.214 -3.141 -0.131 1.00 0.94 H new ATOM 0 HB3 LYS A 169 -8.131 -4.118 -1.262 1.00 0.94 H new ATOM 0 HG2 LYS A 169 -9.990 -4.270 0.381 1.00 1.57 H new ATOM 0 HG3 LYS A 169 -9.074 -3.288 1.507 1.00 1.57 H new ATOM 0 HD2 LYS A 169 -9.081 -1.400 -0.065 1.00 1.97 H new ATOM 0 HD3 LYS A 169 -9.868 -2.378 -1.287 1.00 1.97 H new ATOM 0 HE2 LYS A 169 -11.067 -1.741 1.438 1.00 2.66 H new ATOM 0 HE3 LYS A 169 -11.432 -0.861 -0.032 1.00 2.66 H new ATOM 0 HZ1 LYS A 169 -13.131 -2.425 0.195 1.00 3.12 H new ATOM 0 HZ2 LYS A 169 -12.113 -3.099 -0.985 1.00 3.12 H new ATOM 0 HZ3 LYS A 169 -12.068 -3.683 0.608 1.00 3.12 H new ATOM 768 N VAL A 170 -8.251 -7.144 -0.735 1.00 0.70 N ATOM 769 CA VAL A 170 -9.097 -8.311 -0.933 1.00 0.77 C ATOM 770 C VAL A 170 -8.608 -9.479 -0.076 1.00 0.69 C ATOM 771 O VAL A 170 -9.394 -10.121 0.626 1.00 0.78 O ATOM 772 CB VAL A 170 -9.117 -8.739 -2.418 1.00 0.88 C ATOM 773 CG1 VAL A 170 -10.001 -9.959 -2.624 1.00 1.02 C ATOM 774 CG2 VAL A 170 -9.578 -7.587 -3.297 1.00 1.02 C ATOM 0 H VAL A 170 -7.572 -6.988 -1.480 1.00 0.70 H new ATOM 0 HA VAL A 170 -10.109 -8.039 -0.632 1.00 0.77 H new ATOM 0 HB VAL A 170 -8.101 -9.010 -2.706 1.00 0.88 H new ATOM 0 HG11 VAL A 170 -9.996 -10.238 -3.678 1.00 1.02 H new ATOM 0 HG12 VAL A 170 -9.621 -10.788 -2.027 1.00 1.02 H new ATOM 0 HG13 VAL A 170 -11.020 -9.726 -2.315 1.00 1.02 H new ATOM 0 HG21 VAL A 170 -9.586 -7.905 -4.339 1.00 1.02 H new ATOM 0 HG22 VAL A 170 -10.583 -7.284 -3.002 1.00 1.02 H new ATOM 0 HG23 VAL A 170 -8.896 -6.745 -3.180 1.00 1.02 H new ATOM 784 N CYS A 171 -7.306 -9.738 -0.122 1.00 0.58 N ATOM 785 CA CYS A 171 -6.714 -10.852 0.607 1.00 0.59 C ATOM 786 C CYS A 171 -6.734 -10.620 2.115 1.00 0.57 C ATOM 787 O CYS A 171 -6.892 -11.562 2.890 1.00 0.66 O ATOM 788 CB CYS A 171 -5.291 -11.100 0.115 1.00 0.58 C ATOM 789 SG CYS A 171 -5.202 -11.486 -1.666 1.00 0.80 S ATOM 0 H CYS A 171 -6.637 -9.187 -0.660 1.00 0.58 H new ATOM 0 HA CYS A 171 -7.317 -11.739 0.412 1.00 0.59 H new ATOM 0 HB2 CYS A 171 -4.684 -10.218 0.320 1.00 0.58 H new ATOM 0 HB3 CYS A 171 -4.857 -11.924 0.681 1.00 0.58 H new ATOM 0 HG CYS A 171 -4.549 -10.546 -2.282 1.00 0.80 H new ATOM 794 N TYR A 172 -6.581 -9.370 2.526 1.00 0.51 N ATOM 795 CA TYR A 172 -6.639 -9.022 3.940 1.00 0.59 C ATOM 796 C TYR A 172 -8.012 -9.356 4.510 1.00 0.67 C ATOM 797 O TYR A 172 -8.128 -9.800 5.652 1.00 0.76 O ATOM 798 CB TYR A 172 -6.326 -7.535 4.140 1.00 0.65 C ATOM 799 CG TYR A 172 -6.409 -7.081 5.581 1.00 0.89 C ATOM 800 CD1 TYR A 172 -5.457 -7.478 6.513 1.00 1.29 C ATOM 801 CD2 TYR A 172 -7.448 -6.265 6.010 1.00 1.24 C ATOM 802 CE1 TYR A 172 -5.538 -7.072 7.829 1.00 1.57 C ATOM 803 CE2 TYR A 172 -7.535 -5.857 7.326 1.00 1.45 C ATOM 804 CZ TYR A 172 -6.579 -6.265 8.232 1.00 1.48 C ATOM 805 OH TYR A 172 -6.663 -5.861 9.545 1.00 1.78 O ATOM 0 H TYR A 172 -6.416 -8.580 1.902 1.00 0.51 H new ATOM 0 HA TYR A 172 -5.889 -9.607 4.472 1.00 0.59 H new ATOM 0 HB2 TYR A 172 -5.325 -7.330 3.762 1.00 0.65 H new ATOM 0 HB3 TYR A 172 -7.020 -6.944 3.542 1.00 0.65 H new ATOM 0 HD1 TYR A 172 -4.641 -8.114 6.202 1.00 1.29 H new ATOM 0 HD2 TYR A 172 -8.199 -5.945 5.303 1.00 1.24 H new ATOM 0 HE1 TYR A 172 -4.788 -7.386 8.540 1.00 1.57 H new ATOM 0 HE2 TYR A 172 -8.348 -5.221 7.644 1.00 1.45 H new ATOM 0 HH TYR A 172 -7.455 -5.296 9.663 1.00 1.78 H new ATOM 815 N ALA A 173 -9.044 -9.155 3.697 1.00 0.72 N ATOM 816 CA ALA A 173 -10.407 -9.469 4.101 1.00 0.87 C ATOM 817 C ALA A 173 -10.596 -10.976 4.247 1.00 0.91 C ATOM 818 O ALA A 173 -11.278 -11.440 5.162 1.00 1.05 O ATOM 819 CB ALA A 173 -11.400 -8.906 3.098 1.00 1.05 C ATOM 0 H ALA A 173 -8.961 -8.776 2.754 1.00 0.72 H new ATOM 0 HA ALA A 173 -10.590 -9.006 5.071 1.00 0.87 H new ATOM 0 HB1 ALA A 173 -12.414 -9.149 3.414 1.00 1.05 H new ATOM 0 HB2 ALA A 173 -11.287 -7.823 3.043 1.00 1.05 H new ATOM 0 HB3 ALA A 173 -11.212 -9.341 2.116 1.00 1.05 H new ATOM 825 N LYS A 174 -9.978 -11.735 3.344 1.00 0.89 N ATOM 826 CA LYS A 174 -10.049 -13.191 3.386 1.00 1.06 C ATOM 827 C LYS A 174 -9.282 -13.731 4.591 1.00 1.08 C ATOM 828 O LYS A 174 -9.783 -14.564 5.348 1.00 1.27 O ATOM 829 CB LYS A 174 -9.465 -13.801 2.103 1.00 1.17 C ATOM 830 CG LYS A 174 -10.190 -13.402 0.824 1.00 1.67 C ATOM 831 CD LYS A 174 -9.515 -13.996 -0.408 1.00 2.21 C ATOM 832 CE LYS A 174 -8.084 -13.504 -0.547 1.00 2.63 C ATOM 833 NZ LYS A 174 -7.366 -14.141 -1.680 1.00 3.36 N ATOM 0 H LYS A 174 -9.422 -11.363 2.574 1.00 0.89 H new ATOM 0 HA LYS A 174 -11.099 -13.470 3.471 1.00 1.06 H new ATOM 0 HB2 LYS A 174 -8.419 -13.506 2.019 1.00 1.17 H new ATOM 0 HB3 LYS A 174 -9.483 -14.887 2.192 1.00 1.17 H new ATOM 0 HG2 LYS A 174 -11.226 -13.739 0.871 1.00 1.67 H new ATOM 0 HG3 LYS A 174 -10.212 -12.315 0.740 1.00 1.67 H new ATOM 0 HD2 LYS A 174 -9.522 -15.084 -0.340 1.00 2.21 H new ATOM 0 HD3 LYS A 174 -10.082 -13.729 -1.300 1.00 2.21 H new ATOM 0 HE2 LYS A 174 -8.088 -12.423 -0.687 1.00 2.63 H new ATOM 0 HE3 LYS A 174 -7.544 -13.704 0.378 1.00 2.63 H new ATOM 0 HZ1 LYS A 174 -6.558 -13.547 -1.957 1.00 3.36 H new ATOM 0 HZ2 LYS A 174 -7.023 -15.079 -1.390 1.00 3.36 H new ATOM 0 HZ3 LYS A 174 -8.013 -14.243 -2.488 1.00 3.36 H new ATOM 847 N ASN A 175 -8.067 -13.235 4.768 1.00 1.04 N ATOM 848 CA ASN A 175 -7.166 -13.749 5.791 1.00 1.24 C ATOM 849 C ASN A 175 -7.580 -13.302 7.193 1.00 1.33 C ATOM 850 O ASN A 175 -7.570 -14.099 8.129 1.00 1.56 O ATOM 851 CB ASN A 175 -5.730 -13.307 5.487 1.00 1.47 C ATOM 852 CG ASN A 175 -4.707 -13.944 6.408 1.00 1.90 C ATOM 853 OD1 ASN A 175 -4.928 -15.023 6.953 1.00 2.65 O ATOM 854 ND2 ASN A 175 -3.563 -13.298 6.560 1.00 2.25 N ATOM 0 H ASN A 175 -7.679 -12.472 4.213 1.00 1.04 H new ATOM 0 HA ASN A 175 -7.221 -14.837 5.772 1.00 1.24 H new ATOM 0 HB2 ASN A 175 -5.489 -13.560 4.455 1.00 1.47 H new ATOM 0 HB3 ASN A 175 -5.663 -12.222 5.574 1.00 1.47 H new ATOM 0 HD21 ASN A 175 -2.828 -13.694 7.146 1.00 2.25 H new ATOM 0 HD22 ASN A 175 -3.416 -12.404 6.091 1.00 2.25 H new ATOM 861 N PHE A 176 -7.953 -12.040 7.342 1.00 1.30 N ATOM 862 CA PHE A 176 -8.333 -11.521 8.653 1.00 1.58 C ATOM 863 C PHE A 176 -9.690 -10.831 8.614 1.00 2.55 C ATOM 864 O PHE A 176 -10.693 -11.366 9.085 1.00 3.04 O ATOM 865 CB PHE A 176 -7.282 -10.536 9.180 1.00 1.55 C ATOM 866 CG PHE A 176 -5.982 -11.170 9.578 1.00 2.24 C ATOM 867 CD1 PHE A 176 -5.913 -12.014 10.676 1.00 2.73 C ATOM 868 CD2 PHE A 176 -4.829 -10.936 8.845 1.00 2.85 C ATOM 869 CE1 PHE A 176 -4.719 -12.608 11.035 1.00 3.72 C ATOM 870 CE2 PHE A 176 -3.634 -11.527 9.199 1.00 3.93 C ATOM 871 CZ PHE A 176 -3.570 -12.324 10.332 1.00 4.32 C ATOM 0 H PHE A 176 -8.002 -11.361 6.583 1.00 1.30 H new ATOM 0 HA PHE A 176 -8.396 -12.378 9.324 1.00 1.58 H new ATOM 0 HB2 PHE A 176 -7.087 -9.787 8.413 1.00 1.55 H new ATOM 0 HB3 PHE A 176 -7.694 -10.010 10.041 1.00 1.55 H new ATOM 0 HD1 PHE A 176 -6.802 -12.209 11.257 1.00 2.73 H new ATOM 0 HD2 PHE A 176 -4.867 -10.283 7.986 1.00 2.85 H new ATOM 0 HE1 PHE A 176 -4.687 -13.295 11.867 1.00 3.72 H new ATOM 0 HE2 PHE A 176 -2.752 -11.370 8.596 1.00 3.93 H new ATOM 0 HZ PHE A 176 -2.621 -12.721 10.662 1.00 4.32 H new