USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 414 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 147 HIS HE2 : A 147 HIS NE2 : A 330 ZNZN :(H bumps) USER MOD NoAdj-H: A 169 HIS HE2 : A 169 HIS NE2 : A 530 ZNZN :(H bumps) USER MOD Set 1.1: A 141 ASN : amide:sc= -0.465 K(o=-0.86,f=-4.1!) USER MOD Set 1.2: A 157 GLN : amide:sc= -0.396 K(o=-0.86,f=-2.4!) USER MOD Set 2.1: A 140 TYR OH : rot -61:sc= 1.25 USER MOD Set 2.2: A 162 HIS :FLIP no HD1:sc= -10.5! C(o=-13!,f=-9.3!) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot -172:sc= 0.874 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 148 HIS : no HD1:sc= -2.42! C(o=-2.4!,f=-4.7!) USER MOD Single : A 150 LYS NZ :NH3+ -155:sc= -0.405 (180deg=-1.41!) USER MOD Single : A 153 LYS NZ :NH3+ -166:sc= -0.0156 (180deg=-0.177) USER MOD Single : A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ -114:sc=-0.00765 (180deg=-2.36!) USER MOD Single : A 165 GLN : amide:sc= -0.377 K(o=-0.38,f=-0.9) USER MOD Single : A 166 SER OG : rot 160:sc= -0.124 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 170 MET CE :methyl -153:sc= -0.169 (180deg=-0.789) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 177 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 179 GLN : amide:sc= -1.14 K(o=-1.1,f=-4.7!) USER MOD Single : A 180 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 183 SER OG : rot 180:sc= 0.0016 USER MOD Single : A 185 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.018) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 190 SER OG : rot 17:sc= 0.634 USER MOD Single : A 191 SER OG : rot -56:sc= 0.104 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 130 -21.280 2.745 -11.735 1.00 0.00 N ATOM 2 CA GLY A 130 -20.259 1.747 -11.478 1.00 0.00 C ATOM 3 C GLY A 130 -20.435 1.070 -10.133 1.00 0.00 C ATOM 4 O GLY A 130 -20.078 1.631 -9.097 1.00 0.00 O ATOM 0 HA2 GLY A 130 -20.284 0.994 -12.266 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -19.277 2.218 -11.518 1.00 0.00 H new ATOM 8 N SER A 131 -20.989 -0.138 -10.148 1.00 0.00 N ATOM 9 CA SER A 131 -21.217 -0.890 -8.920 1.00 0.00 C ATOM 10 C SER A 131 -19.917 -1.064 -8.140 1.00 0.00 C ATOM 11 O SER A 131 -19.101 -1.929 -8.459 1.00 0.00 O ATOM 12 CB SER A 131 -21.822 -2.258 -9.239 1.00 0.00 C ATOM 13 OG SER A 131 -22.959 -2.131 -10.075 1.00 0.00 O ATOM 0 H SER A 131 -21.288 -0.617 -10.997 1.00 0.00 H new ATOM 0 HA SER A 131 -21.917 -0.327 -8.303 1.00 0.00 H new ATOM 0 HB2 SER A 131 -21.076 -2.884 -9.728 1.00 0.00 H new ATOM 0 HB3 SER A 131 -22.102 -2.760 -8.313 1.00 0.00 H new ATOM 0 HG SER A 131 -23.326 -3.020 -10.265 1.00 0.00 H new ATOM 19 N SER A 132 -19.733 -0.237 -7.117 1.00 0.00 N ATOM 20 CA SER A 132 -18.531 -0.296 -6.293 1.00 0.00 C ATOM 21 C SER A 132 -18.656 -1.381 -5.228 1.00 0.00 C ATOM 22 O SER A 132 -19.688 -2.041 -5.115 1.00 0.00 O ATOM 23 CB SER A 132 -18.274 1.059 -5.629 1.00 0.00 C ATOM 24 OG SER A 132 -17.775 1.998 -6.565 1.00 0.00 O ATOM 0 H SER A 132 -20.401 0.482 -6.838 1.00 0.00 H new ATOM 0 HA SER A 132 -17.689 -0.541 -6.940 1.00 0.00 H new ATOM 0 HB2 SER A 132 -19.199 1.434 -5.190 1.00 0.00 H new ATOM 0 HB3 SER A 132 -17.560 0.939 -4.814 1.00 0.00 H new ATOM 0 HG SER A 132 -17.500 2.813 -6.096 1.00 0.00 H new ATOM 30 N GLY A 133 -17.594 -1.560 -4.446 1.00 0.00 N ATOM 31 CA GLY A 133 -17.604 -2.565 -3.400 1.00 0.00 C ATOM 32 C GLY A 133 -16.272 -2.669 -2.684 1.00 0.00 C ATOM 33 O GLY A 133 -15.718 -1.664 -2.240 1.00 0.00 O ATOM 0 H GLY A 133 -16.728 -1.026 -4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -18.384 -2.325 -2.677 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -17.857 -3.533 -3.833 1.00 0.00 H new ATOM 37 N SER A 134 -15.758 -3.890 -2.569 1.00 0.00 N ATOM 38 CA SER A 134 -14.485 -4.122 -1.896 1.00 0.00 C ATOM 39 C SER A 134 -13.322 -3.998 -2.875 1.00 0.00 C ATOM 40 O SER A 134 -12.382 -4.792 -2.844 1.00 0.00 O ATOM 41 CB SER A 134 -14.473 -5.507 -1.245 1.00 0.00 C ATOM 42 OG SER A 134 -14.738 -6.520 -2.200 1.00 0.00 O ATOM 0 H SER A 134 -16.203 -4.733 -2.933 1.00 0.00 H new ATOM 0 HA SER A 134 -14.368 -3.363 -1.122 1.00 0.00 H new ATOM 0 HB2 SER A 134 -13.504 -5.686 -0.780 1.00 0.00 H new ATOM 0 HB3 SER A 134 -15.219 -5.546 -0.452 1.00 0.00 H new ATOM 0 HG SER A 134 -14.723 -7.396 -1.761 1.00 0.00 H new ATOM 48 N SER A 135 -13.393 -2.995 -3.744 1.00 0.00 N ATOM 49 CA SER A 135 -12.349 -2.767 -4.736 1.00 0.00 C ATOM 50 C SER A 135 -11.629 -1.448 -4.474 1.00 0.00 C ATOM 51 O SER A 135 -10.407 -1.411 -4.338 1.00 0.00 O ATOM 52 CB SER A 135 -12.945 -2.765 -6.145 1.00 0.00 C ATOM 53 OG SER A 135 -11.999 -3.209 -7.101 1.00 0.00 O ATOM 0 H SER A 135 -14.163 -2.327 -3.781 1.00 0.00 H new ATOM 0 HA SER A 135 -11.625 -3.578 -4.657 1.00 0.00 H new ATOM 0 HB2 SER A 135 -13.824 -3.410 -6.172 1.00 0.00 H new ATOM 0 HB3 SER A 135 -13.279 -1.759 -6.400 1.00 0.00 H new ATOM 0 HG SER A 135 -12.406 -3.200 -7.993 1.00 0.00 H new ATOM 59 N GLY A 136 -12.397 -0.365 -4.405 1.00 0.00 N ATOM 60 CA GLY A 136 -11.817 0.942 -4.160 1.00 0.00 C ATOM 61 C GLY A 136 -12.704 2.071 -4.647 1.00 0.00 C ATOM 62 O GLY A 136 -12.793 2.325 -5.848 1.00 0.00 O ATOM 0 H GLY A 136 -13.411 -0.370 -4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -11.636 1.061 -3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -10.849 1.005 -4.656 1.00 0.00 H new ATOM 66 N ASP A 137 -13.362 2.749 -3.714 1.00 0.00 N ATOM 67 CA ASP A 137 -14.247 3.857 -4.054 1.00 0.00 C ATOM 68 C ASP A 137 -13.538 5.195 -3.872 1.00 0.00 C ATOM 69 O ASP A 137 -13.627 6.077 -4.727 1.00 0.00 O ATOM 70 CB ASP A 137 -15.510 3.813 -3.192 1.00 0.00 C ATOM 71 CG ASP A 137 -16.655 4.598 -3.801 1.00 0.00 C ATOM 72 OD1 ASP A 137 -17.127 4.210 -4.889 1.00 0.00 O ATOM 73 OD2 ASP A 137 -17.077 5.602 -3.189 1.00 0.00 O ATOM 0 H ASP A 137 -13.299 2.551 -2.715 1.00 0.00 H new ATOM 0 HA ASP A 137 -14.529 3.755 -5.102 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -15.817 2.776 -3.055 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -15.285 4.212 -2.203 1.00 0.00 H new ATOM 78 N ARG A 138 -12.836 5.339 -2.754 1.00 0.00 N ATOM 79 CA ARG A 138 -12.113 6.571 -2.459 1.00 0.00 C ATOM 80 C ARG A 138 -10.747 6.267 -1.849 1.00 0.00 C ATOM 81 O ARG A 138 -10.470 5.134 -1.453 1.00 0.00 O ATOM 82 CB ARG A 138 -12.926 7.447 -1.504 1.00 0.00 C ATOM 83 CG ARG A 138 -13.021 6.887 -0.094 1.00 0.00 C ATOM 84 CD ARG A 138 -13.834 7.797 0.813 1.00 0.00 C ATOM 85 NE ARG A 138 -13.501 7.605 2.222 1.00 0.00 N ATOM 86 CZ ARG A 138 -13.867 8.444 3.185 1.00 0.00 C ATOM 87 NH1 ARG A 138 -14.573 9.527 2.892 1.00 0.00 N ATOM 88 NH2 ARG A 138 -13.526 8.200 4.444 1.00 0.00 N ATOM 0 H ARG A 138 -12.752 4.618 -2.037 1.00 0.00 H new ATOM 0 HA ARG A 138 -11.962 7.108 -3.395 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -12.476 8.439 -1.462 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -13.932 7.570 -1.905 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -13.479 5.898 -0.124 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -12.019 6.762 0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -13.656 8.836 0.537 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -14.896 7.604 0.662 1.00 0.00 H new ATOM 0 HE ARG A 138 -12.958 6.782 2.481 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -14.837 9.718 1.925 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -14.853 10.169 3.633 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -12.982 7.368 4.673 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -13.807 8.845 5.183 1.00 0.00 H new ATOM 102 N CYS A 139 -9.898 7.286 -1.778 1.00 0.00 N ATOM 103 CA CYS A 139 -8.560 7.129 -1.218 1.00 0.00 C ATOM 104 C CYS A 139 -8.606 6.341 0.087 1.00 0.00 C ATOM 105 O CYS A 139 -9.269 6.742 1.044 1.00 0.00 O ATOM 106 CB CYS A 139 -7.922 8.499 -0.978 1.00 0.00 C ATOM 107 SG CYS A 139 -6.436 8.452 0.076 1.00 0.00 S ATOM 0 H CYS A 139 -10.112 8.230 -2.101 1.00 0.00 H new ATOM 0 HA CYS A 139 -7.955 6.574 -1.935 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -7.659 8.939 -1.940 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -8.660 9.156 -0.518 1.00 0.00 H new ATOM 112 N TYR A 140 -7.897 5.218 0.119 1.00 0.00 N ATOM 113 CA TYR A 140 -7.858 4.372 1.306 1.00 0.00 C ATOM 114 C TYR A 140 -6.757 4.824 2.261 1.00 0.00 C ATOM 115 O TYR A 140 -6.053 4.003 2.846 1.00 0.00 O ATOM 116 CB TYR A 140 -7.637 2.911 0.909 1.00 0.00 C ATOM 117 CG TYR A 140 -6.193 2.578 0.606 1.00 0.00 C ATOM 118 CD1 TYR A 140 -5.592 3.013 -0.569 1.00 0.00 C ATOM 119 CD2 TYR A 140 -5.431 1.830 1.494 1.00 0.00 C ATOM 120 CE1 TYR A 140 -4.274 2.710 -0.851 1.00 0.00 C ATOM 121 CE2 TYR A 140 -4.112 1.523 1.221 1.00 0.00 C ATOM 122 CZ TYR A 140 -3.538 1.965 0.047 1.00 0.00 C ATOM 123 OH TYR A 140 -2.224 1.663 -0.229 1.00 0.00 O ATOM 0 H TYR A 140 -7.341 4.872 -0.664 1.00 0.00 H new ATOM 0 HA TYR A 140 -8.816 4.462 1.817 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -7.988 2.267 1.715 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -8.245 2.685 0.033 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -6.165 3.598 -1.274 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -5.877 1.482 2.414 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -3.822 3.054 -1.770 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -3.534 0.940 1.923 1.00 0.00 H new ATOM 0 HH TYR A 140 -2.176 1.131 -1.051 1.00 0.00 H new ATOM 133 N ASN A 141 -6.617 6.137 2.413 1.00 0.00 N ATOM 134 CA ASN A 141 -5.603 6.700 3.297 1.00 0.00 C ATOM 135 C ASN A 141 -6.198 7.789 4.183 1.00 0.00 C ATOM 136 O ASN A 141 -6.187 7.682 5.410 1.00 0.00 O ATOM 137 CB ASN A 141 -4.443 7.269 2.478 1.00 0.00 C ATOM 138 CG ASN A 141 -3.205 7.513 3.321 1.00 0.00 C ATOM 139 OD1 ASN A 141 -3.285 7.621 4.544 1.00 0.00 O ATOM 140 ND2 ASN A 141 -2.053 7.600 2.667 1.00 0.00 N ATOM 0 H ASN A 141 -7.193 6.831 1.936 1.00 0.00 H new ATOM 0 HA ASN A 141 -5.229 5.901 3.937 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -4.199 6.579 1.670 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -4.754 8.205 2.014 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -1.186 7.763 3.180 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -2.034 7.504 1.652 1.00 0.00 H new ATOM 147 N CYS A 142 -6.717 8.838 3.554 1.00 0.00 N ATOM 148 CA CYS A 142 -7.318 9.948 4.284 1.00 0.00 C ATOM 149 C CYS A 142 -8.836 9.944 4.128 1.00 0.00 C ATOM 150 O CYS A 142 -9.571 10.096 5.103 1.00 0.00 O ATOM 151 CB CYS A 142 -6.747 11.279 3.790 1.00 0.00 C ATOM 152 SG CYS A 142 -7.297 11.749 2.118 1.00 0.00 S ATOM 0 H CYS A 142 -6.733 8.943 2.540 1.00 0.00 H new ATOM 0 HA CYS A 142 -7.079 9.827 5.341 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -7.031 12.066 4.489 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -5.659 11.221 3.800 1.00 0.00 H new ATOM 157 N GLY A 143 -9.298 9.769 2.894 1.00 0.00 N ATOM 158 CA GLY A 143 -10.725 9.748 2.632 1.00 0.00 C ATOM 159 C GLY A 143 -11.138 10.766 1.588 1.00 0.00 C ATOM 160 O GLY A 143 -12.216 11.353 1.675 1.00 0.00 O ATOM 0 H GLY A 143 -8.709 9.641 2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -11.015 8.752 2.298 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -11.264 9.943 3.559 1.00 0.00 H new ATOM 164 N GLY A 144 -10.277 10.978 0.597 1.00 0.00 N ATOM 165 CA GLY A 144 -10.576 11.934 -0.453 1.00 0.00 C ATOM 166 C GLY A 144 -11.408 11.331 -1.567 1.00 0.00 C ATOM 167 O GLY A 144 -11.178 10.193 -1.978 1.00 0.00 O ATOM 0 H GLY A 144 -9.378 10.505 0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -11.108 12.784 -0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -9.644 12.318 -0.867 1.00 0.00 H new ATOM 171 N LEU A 145 -12.380 12.094 -2.056 1.00 0.00 N ATOM 172 CA LEU A 145 -13.252 11.627 -3.129 1.00 0.00 C ATOM 173 C LEU A 145 -12.740 12.094 -4.488 1.00 0.00 C ATOM 174 O LEU A 145 -12.649 11.309 -5.431 1.00 0.00 O ATOM 175 CB LEU A 145 -14.679 12.130 -2.908 1.00 0.00 C ATOM 176 CG LEU A 145 -15.350 11.696 -1.604 1.00 0.00 C ATOM 177 CD1 LEU A 145 -16.544 12.585 -1.296 1.00 0.00 C ATOM 178 CD2 LEU A 145 -15.775 10.237 -1.684 1.00 0.00 C ATOM 0 H LEU A 145 -12.584 13.038 -1.727 1.00 0.00 H new ATOM 0 HA LEU A 145 -13.252 10.537 -3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -14.668 13.219 -2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -15.295 11.791 -3.741 1.00 0.00 H new ATOM 0 HG LEU A 145 -14.628 11.800 -0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -17.008 12.261 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -16.212 13.618 -1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -17.269 12.514 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -16.251 9.945 -0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -16.480 10.108 -2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -14.899 9.612 -1.857 1.00 0.00 H new ATOM 190 N ASP A 146 -12.407 13.377 -4.580 1.00 0.00 N ATOM 191 CA ASP A 146 -11.902 13.948 -5.823 1.00 0.00 C ATOM 192 C ASP A 146 -10.536 13.365 -6.173 1.00 0.00 C ATOM 193 O ASP A 146 -10.318 12.897 -7.291 1.00 0.00 O ATOM 194 CB ASP A 146 -11.805 15.470 -5.707 1.00 0.00 C ATOM 195 CG ASP A 146 -11.189 15.914 -4.395 1.00 0.00 C ATOM 196 OD1 ASP A 146 -9.946 15.876 -4.280 1.00 0.00 O ATOM 197 OD2 ASP A 146 -11.950 16.298 -3.482 1.00 0.00 O ATOM 0 H ASP A 146 -12.478 14.041 -3.809 1.00 0.00 H new ATOM 0 HA ASP A 146 -12.601 13.695 -6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -11.209 15.857 -6.534 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -12.801 15.903 -5.802 1.00 0.00 H new ATOM 202 N HIS A 147 -9.619 13.398 -5.211 1.00 0.00 N ATOM 203 CA HIS A 147 -8.275 12.873 -5.418 1.00 0.00 C ATOM 204 C HIS A 147 -8.208 11.392 -5.058 1.00 0.00 C ATOM 205 O HIS A 147 -8.974 10.911 -4.223 1.00 0.00 O ATOM 206 CB HIS A 147 -7.263 13.659 -4.583 1.00 0.00 C ATOM 207 CG HIS A 147 -7.142 13.169 -3.172 1.00 0.00 C ATOM 208 ND1 HIS A 147 -7.540 13.911 -2.081 1.00 0.00 N ATOM 209 CD2 HIS A 147 -6.666 12.002 -2.678 1.00 0.00 C ATOM 210 CE1 HIS A 147 -7.312 13.223 -0.976 1.00 0.00 C ATOM 211 NE2 HIS A 147 -6.782 12.061 -1.311 1.00 0.00 N ATOM 0 H HIS A 147 -9.783 13.783 -4.281 1.00 0.00 H new ATOM 0 HA HIS A 147 -8.028 12.983 -6.474 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -6.286 13.603 -5.063 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -7.552 14.710 -4.571 1.00 0.00 H new ATOM 0 HD1 HIS A 147 -7.947 14.845 -2.120 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -6.269 11.178 -3.252 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -7.523 13.555 0.030 1.00 0.00 H new ATOM 219 N HIS A 148 -7.289 10.674 -5.696 1.00 0.00 N ATOM 220 CA HIS A 148 -7.123 9.247 -5.443 1.00 0.00 C ATOM 221 C HIS A 148 -5.916 8.991 -4.545 1.00 0.00 C ATOM 222 O HIS A 148 -4.998 9.808 -4.475 1.00 0.00 O ATOM 223 CB HIS A 148 -6.962 8.489 -6.761 1.00 0.00 C ATOM 224 CG HIS A 148 -7.557 7.115 -6.738 1.00 0.00 C ATOM 225 ND1 HIS A 148 -7.939 6.479 -5.575 1.00 0.00 N ATOM 226 CD2 HIS A 148 -7.838 6.255 -7.745 1.00 0.00 C ATOM 227 CE1 HIS A 148 -8.427 5.287 -5.868 1.00 0.00 C ATOM 228 NE2 HIS A 148 -8.377 5.126 -7.178 1.00 0.00 N ATOM 0 H HIS A 148 -6.648 11.057 -6.391 1.00 0.00 H new ATOM 0 HA HIS A 148 -8.017 8.888 -4.933 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -7.428 9.064 -7.561 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -5.901 8.413 -7.000 1.00 0.00 H new ATOM 0 HD2 HIS A 148 -7.670 6.425 -8.798 1.00 0.00 H new ATOM 0 HE1 HIS A 148 -8.803 4.566 -5.157 1.00 0.00 H new ATOM 0 HE2 HIS A 148 -8.688 4.298 -7.686 1.00 0.00 H new ATOM 236 N ALA A 149 -5.925 7.852 -3.860 1.00 0.00 N ATOM 237 CA ALA A 149 -4.831 7.489 -2.968 1.00 0.00 C ATOM 238 C ALA A 149 -3.480 7.693 -3.644 1.00 0.00 C ATOM 239 O ALA A 149 -2.628 8.428 -3.144 1.00 0.00 O ATOM 240 CB ALA A 149 -4.981 6.046 -2.510 1.00 0.00 C ATOM 0 H ALA A 149 -6.678 7.165 -3.906 1.00 0.00 H new ATOM 0 HA ALA A 149 -4.874 8.142 -2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -4.157 5.788 -1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -5.926 5.929 -1.980 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -4.967 5.386 -3.377 1.00 0.00 H new ATOM 246 N LYS A 150 -3.289 7.038 -4.784 1.00 0.00 N ATOM 247 CA LYS A 150 -2.042 7.148 -5.531 1.00 0.00 C ATOM 248 C LYS A 150 -1.559 8.594 -5.575 1.00 0.00 C ATOM 249 O LYS A 150 -0.386 8.873 -5.332 1.00 0.00 O ATOM 250 CB LYS A 150 -2.227 6.617 -6.955 1.00 0.00 C ATOM 251 CG LYS A 150 -3.203 7.432 -7.785 1.00 0.00 C ATOM 252 CD LYS A 150 -3.582 6.710 -9.067 1.00 0.00 C ATOM 253 CE LYS A 150 -4.820 5.847 -8.876 1.00 0.00 C ATOM 254 NZ LYS A 150 -4.506 4.577 -8.165 1.00 0.00 N ATOM 0 H LYS A 150 -3.983 6.425 -5.211 1.00 0.00 H new ATOM 0 HA LYS A 150 -1.289 6.547 -5.021 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -1.260 6.603 -7.457 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -2.577 5.586 -6.907 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -4.101 7.632 -7.200 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -2.758 8.397 -8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.764 7.439 -9.856 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -2.750 6.087 -9.394 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.568 6.404 -8.311 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -5.258 5.620 -9.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -5.214 3.856 -8.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -3.561 4.246 -8.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -4.523 4.741 -7.138 1.00 0.00 H new ATOM 268 N GLU A 151 -2.473 9.509 -5.885 1.00 0.00 N ATOM 269 CA GLU A 151 -2.139 10.926 -5.960 1.00 0.00 C ATOM 270 C GLU A 151 -1.894 11.501 -4.568 1.00 0.00 C ATOM 271 O GLU A 151 -0.950 12.264 -4.356 1.00 0.00 O ATOM 272 CB GLU A 151 -3.261 11.701 -6.654 1.00 0.00 C ATOM 273 CG GLU A 151 -3.247 11.569 -8.167 1.00 0.00 C ATOM 274 CD GLU A 151 -3.795 12.798 -8.866 1.00 0.00 C ATOM 275 OE1 GLU A 151 -5.030 12.880 -9.038 1.00 0.00 O ATOM 276 OE2 GLU A 151 -2.991 13.676 -9.240 1.00 0.00 O ATOM 0 H GLU A 151 -3.449 9.294 -6.088 1.00 0.00 H new ATOM 0 HA GLU A 151 -1.223 11.027 -6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -4.221 11.350 -6.276 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -3.181 12.755 -6.389 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -2.226 11.390 -8.503 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -3.835 10.698 -8.457 1.00 0.00 H new ATOM 283 N CYS A 152 -2.750 11.130 -3.622 1.00 0.00 N ATOM 284 CA CYS A 152 -2.629 11.609 -2.250 1.00 0.00 C ATOM 285 C CYS A 152 -1.164 11.799 -1.868 1.00 0.00 C ATOM 286 O CYS A 152 -0.283 11.101 -2.371 1.00 0.00 O ATOM 287 CB CYS A 152 -3.296 10.627 -1.285 1.00 0.00 C ATOM 288 SG CYS A 152 -3.737 11.353 0.327 1.00 0.00 S ATOM 0 H CYS A 152 -3.535 10.499 -3.780 1.00 0.00 H new ATOM 0 HA CYS A 152 -3.132 12.574 -2.182 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -4.198 10.231 -1.752 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -2.625 9.784 -1.120 1.00 0.00 H new ATOM 293 N LYS A 153 -0.910 12.749 -0.974 1.00 0.00 N ATOM 294 CA LYS A 153 0.447 13.032 -0.522 1.00 0.00 C ATOM 295 C LYS A 153 0.721 12.368 0.824 1.00 0.00 C ATOM 296 O LYS A 153 1.788 11.790 1.037 1.00 0.00 O ATOM 297 CB LYS A 153 0.665 14.543 -0.411 1.00 0.00 C ATOM 298 CG LYS A 153 0.349 15.298 -1.690 1.00 0.00 C ATOM 299 CD LYS A 153 -1.105 15.739 -1.732 1.00 0.00 C ATOM 300 CE LYS A 153 -1.408 16.542 -2.987 1.00 0.00 C ATOM 301 NZ LYS A 153 -0.669 17.835 -3.011 1.00 0.00 N ATOM 0 H LYS A 153 -1.627 13.336 -0.548 1.00 0.00 H new ATOM 0 HA LYS A 153 1.141 12.624 -1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.043 14.933 0.395 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.702 14.733 -0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 153 0.997 16.171 -1.768 1.00 0.00 H new ATOM 0 HG3 LYS A 153 0.563 14.664 -2.550 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -1.753 14.863 -1.694 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -1.329 16.340 -0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -1.142 15.955 -3.866 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -2.479 16.735 -3.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -1.072 18.451 -3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -0.753 18.300 -2.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 0.334 17.658 -3.220 1.00 0.00 H new ATOM 315 N LEU A 154 -0.247 12.454 1.729 1.00 0.00 N ATOM 316 CA LEU A 154 -0.111 11.859 3.054 1.00 0.00 C ATOM 317 C LEU A 154 0.638 10.532 2.982 1.00 0.00 C ATOM 318 O LEU A 154 0.660 9.859 1.951 1.00 0.00 O ATOM 319 CB LEU A 154 -1.488 11.647 3.684 1.00 0.00 C ATOM 320 CG LEU A 154 -2.227 12.911 4.126 1.00 0.00 C ATOM 321 CD1 LEU A 154 -3.690 12.605 4.405 1.00 0.00 C ATOM 322 CD2 LEU A 154 -1.562 13.515 5.354 1.00 0.00 C ATOM 0 H LEU A 154 -1.135 12.930 1.570 1.00 0.00 H new ATOM 0 HA LEU A 154 0.464 12.546 3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -2.115 11.116 2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -1.372 10.996 4.551 1.00 0.00 H new ATOM 0 HG LEU A 154 -2.179 13.639 3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -4.199 13.517 4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -4.160 12.219 3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -3.761 11.859 5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -2.101 14.414 5.655 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -1.579 12.792 6.169 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -0.529 13.773 5.119 1.00 0.00 H new ATOM 334 N PRO A 155 1.265 10.144 4.102 1.00 0.00 N ATOM 335 CA PRO A 155 2.024 8.893 4.192 1.00 0.00 C ATOM 336 C PRO A 155 1.122 7.664 4.154 1.00 0.00 C ATOM 337 O PRO A 155 0.163 7.544 4.916 1.00 0.00 O ATOM 338 CB PRO A 155 2.725 9.000 5.548 1.00 0.00 C ATOM 339 CG PRO A 155 1.865 9.917 6.348 1.00 0.00 C ATOM 340 CD PRO A 155 1.281 10.896 5.368 1.00 0.00 C ATOM 0 HA PRO A 155 2.708 8.770 3.352 1.00 0.00 H new ATOM 0 HB2 PRO A 155 2.815 8.024 6.025 1.00 0.00 H new ATOM 0 HB3 PRO A 155 3.735 9.397 5.441 1.00 0.00 H new ATOM 0 HG2 PRO A 155 1.079 9.365 6.863 1.00 0.00 H new ATOM 0 HG3 PRO A 155 2.448 10.431 7.113 1.00 0.00 H new ATOM 0 HD2 PRO A 155 0.279 11.209 5.662 1.00 0.00 H new ATOM 0 HD3 PRO A 155 1.888 11.798 5.292 1.00 0.00 H new ATOM 348 N PRO A 156 1.434 6.728 3.246 1.00 0.00 N ATOM 349 CA PRO A 156 0.664 5.490 3.087 1.00 0.00 C ATOM 350 C PRO A 156 0.840 4.543 4.269 1.00 0.00 C ATOM 351 O PRO A 156 1.954 4.115 4.572 1.00 0.00 O ATOM 352 CB PRO A 156 1.246 4.871 1.814 1.00 0.00 C ATOM 353 CG PRO A 156 2.628 5.418 1.724 1.00 0.00 C ATOM 354 CD PRO A 156 2.563 6.804 2.304 1.00 0.00 C ATOM 0 HA PRO A 156 -0.408 5.680 3.033 1.00 0.00 H new ATOM 0 HB2 PRO A 156 1.254 3.783 1.871 1.00 0.00 H new ATOM 0 HB3 PRO A 156 0.656 5.140 0.938 1.00 0.00 H new ATOM 0 HG2 PRO A 156 3.331 4.796 2.278 1.00 0.00 H new ATOM 0 HG3 PRO A 156 2.971 5.443 0.690 1.00 0.00 H new ATOM 0 HD2 PRO A 156 3.491 7.072 2.810 1.00 0.00 H new ATOM 0 HD3 PRO A 156 2.392 7.555 1.532 1.00 0.00 H new ATOM 362 N GLN A 157 -0.265 4.220 4.932 1.00 0.00 N ATOM 363 CA GLN A 157 -0.231 3.322 6.081 1.00 0.00 C ATOM 364 C GLN A 157 0.263 1.938 5.676 1.00 0.00 C ATOM 365 O GLN A 157 0.169 1.533 4.517 1.00 0.00 O ATOM 366 CB GLN A 157 -1.620 3.217 6.714 1.00 0.00 C ATOM 367 CG GLN A 157 -2.028 4.454 7.497 1.00 0.00 C ATOM 368 CD GLN A 157 -3.530 4.653 7.533 1.00 0.00 C ATOM 369 OE1 GLN A 157 -4.238 3.989 8.292 1.00 0.00 O ATOM 370 NE2 GLN A 157 -4.026 5.571 6.712 1.00 0.00 N ATOM 0 H GLN A 157 -1.195 4.566 4.694 1.00 0.00 H new ATOM 0 HA GLN A 157 0.463 3.735 6.813 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -2.355 3.035 5.929 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -1.643 2.353 7.378 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -1.651 4.374 8.517 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -1.560 5.332 7.052 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -3.403 6.098 6.100 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -5.030 5.749 6.693 1.00 0.00 H new ATOM 379 N PRO A 158 0.803 1.193 6.652 1.00 0.00 N ATOM 380 CA PRO A 158 1.322 -0.159 6.421 1.00 0.00 C ATOM 381 C PRO A 158 0.213 -1.165 6.133 1.00 0.00 C ATOM 382 O PRO A 158 0.442 -2.374 6.136 1.00 0.00 O ATOM 383 CB PRO A 158 2.023 -0.499 7.739 1.00 0.00 C ATOM 384 CG PRO A 158 1.339 0.342 8.761 1.00 0.00 C ATOM 385 CD PRO A 158 0.947 1.611 8.057 1.00 0.00 C ATOM 0 HA PRO A 158 1.976 -0.201 5.550 1.00 0.00 H new ATOM 0 HB2 PRO A 158 1.932 -1.560 7.974 1.00 0.00 H new ATOM 0 HB3 PRO A 158 3.088 -0.274 7.690 1.00 0.00 H new ATOM 0 HG2 PRO A 158 0.463 -0.168 9.163 1.00 0.00 H new ATOM 0 HG3 PRO A 158 2.001 0.550 9.602 1.00 0.00 H new ATOM 0 HD2 PRO A 158 0.016 2.018 8.452 1.00 0.00 H new ATOM 0 HD3 PRO A 158 1.707 2.384 8.170 1.00 0.00 H new ATOM 393 N LYS A 159 -0.989 -0.657 5.883 1.00 0.00 N ATOM 394 CA LYS A 159 -2.135 -1.511 5.590 1.00 0.00 C ATOM 395 C LYS A 159 -1.794 -2.523 4.501 1.00 0.00 C ATOM 396 O LYS A 159 -0.897 -2.299 3.688 1.00 0.00 O ATOM 397 CB LYS A 159 -3.332 -0.662 5.156 1.00 0.00 C ATOM 398 CG LYS A 159 -3.720 0.404 6.166 1.00 0.00 C ATOM 399 CD LYS A 159 -4.551 -0.177 7.298 1.00 0.00 C ATOM 400 CE LYS A 159 -4.376 0.618 8.583 1.00 0.00 C ATOM 401 NZ LYS A 159 -3.234 0.114 9.396 1.00 0.00 N ATOM 0 H LYS A 159 -1.195 0.342 5.877 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.394 -2.055 6.499 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -3.101 -0.182 4.205 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -4.187 -1.316 4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -2.820 0.865 6.573 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -4.284 1.192 5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -5.603 -0.182 7.013 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -4.261 -1.214 7.468 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -4.214 1.668 8.341 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -5.292 0.564 9.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -3.148 0.682 10.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -3.400 -0.881 9.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -2.355 0.189 8.845 1.00 0.00 H new ATOM 415 N LYS A 160 -2.517 -3.638 4.489 1.00 0.00 N ATOM 416 CA LYS A 160 -2.295 -4.685 3.499 1.00 0.00 C ATOM 417 C LYS A 160 -2.607 -4.179 2.094 1.00 0.00 C ATOM 418 O LYS A 160 -3.300 -3.176 1.924 1.00 0.00 O ATOM 419 CB LYS A 160 -3.158 -5.908 3.816 1.00 0.00 C ATOM 420 CG LYS A 160 -4.642 -5.598 3.909 1.00 0.00 C ATOM 421 CD LYS A 160 -5.478 -6.867 3.908 1.00 0.00 C ATOM 422 CE LYS A 160 -6.875 -6.614 4.452 1.00 0.00 C ATOM 423 NZ LYS A 160 -7.648 -5.681 3.586 1.00 0.00 N ATOM 0 H LYS A 160 -3.263 -3.840 5.155 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.244 -4.971 3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -3.001 -6.663 3.045 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -2.826 -6.342 4.759 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -4.840 -5.032 4.819 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -4.936 -4.967 3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -5.547 -7.258 2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -4.984 -7.630 4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -7.410 -7.560 4.534 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -6.803 -6.200 5.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -7.830 -4.797 4.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -7.102 -5.472 2.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -8.553 -6.121 3.323 1.00 0.00 H new ATOM 437 N CYS A 161 -2.094 -4.882 1.090 1.00 0.00 N ATOM 438 CA CYS A 161 -2.319 -4.506 -0.301 1.00 0.00 C ATOM 439 C CYS A 161 -3.750 -4.019 -0.508 1.00 0.00 C ATOM 440 O CYS A 161 -4.708 -4.764 -0.297 1.00 0.00 O ATOM 441 CB CYS A 161 -2.033 -5.691 -1.224 1.00 0.00 C ATOM 442 SG CYS A 161 -2.574 -5.441 -2.946 1.00 0.00 S ATOM 0 H CYS A 161 -1.519 -5.716 1.214 1.00 0.00 H new ATOM 0 HA CYS A 161 -1.638 -3.691 -0.546 1.00 0.00 H new ATOM 0 HB2 CYS A 161 -0.962 -5.893 -1.217 1.00 0.00 H new ATOM 0 HB3 CYS A 161 -2.527 -6.577 -0.824 1.00 0.00 H new ATOM 447 N HIS A 162 -3.888 -2.763 -0.922 1.00 0.00 N ATOM 448 CA HIS A 162 -5.203 -2.177 -1.159 1.00 0.00 C ATOM 449 C HIS A 162 -5.705 -2.516 -2.559 1.00 0.00 C ATOM 450 O HIS A 162 -6.326 -1.687 -3.225 1.00 0.00 O ATOM 451 CB HIS A 162 -5.147 -0.659 -0.978 1.00 0.00 C ATOM 452 CG HIS A 162 -4.500 0.057 -2.124 1.00 0.00 C ATOM 453 ND1 HIS A 162 -3.198 0.319 -2.382 1.00 0.00 N flip ATOM 454 CD2 HIS A 162 -5.214 0.601 -3.171 1.00 0.00 C flip ATOM 455 CE1 HIS A 162 -3.148 1.008 -3.569 1.00 0.00 C flip ATOM 456 NE2 HIS A 162 -4.378 1.165 -4.024 1.00 0.00 N flip ATOM 0 H HIS A 162 -3.106 -2.132 -1.100 1.00 0.00 H new ATOM 0 HA HIS A 162 -5.898 -2.597 -0.432 1.00 0.00 H new ATOM 0 HB2 HIS A 162 -6.160 -0.279 -0.848 1.00 0.00 H new ATOM 0 HB3 HIS A 162 -4.601 -0.430 -0.063 1.00 0.00 H new ATOM 0 HD2 HIS A 162 -6.288 0.571 -3.277 1.00 0.00 H new ATOM 0 HE1 HIS A 162 -2.250 1.363 -4.052 1.00 0.00 H new ATOM 0 HE2 HIS A 162 -4.638 1.641 -4.888 1.00 0.00 H new ATOM 464 N PHE A 163 -5.432 -3.740 -3.000 1.00 0.00 N ATOM 465 CA PHE A 163 -5.855 -4.188 -4.321 1.00 0.00 C ATOM 466 C PHE A 163 -6.494 -5.571 -4.247 1.00 0.00 C ATOM 467 O PHE A 163 -7.609 -5.779 -4.728 1.00 0.00 O ATOM 468 CB PHE A 163 -4.662 -4.216 -5.280 1.00 0.00 C ATOM 469 CG PHE A 163 -5.057 -4.295 -6.726 1.00 0.00 C ATOM 470 CD1 PHE A 163 -5.473 -5.495 -7.280 1.00 0.00 C ATOM 471 CD2 PHE A 163 -5.013 -3.168 -7.532 1.00 0.00 C ATOM 472 CE1 PHE A 163 -5.836 -5.570 -8.612 1.00 0.00 C ATOM 473 CE2 PHE A 163 -5.376 -3.237 -8.865 1.00 0.00 C ATOM 474 CZ PHE A 163 -5.789 -4.440 -9.404 1.00 0.00 C ATOM 0 H PHE A 163 -4.920 -4.439 -2.462 1.00 0.00 H new ATOM 0 HA PHE A 163 -6.597 -3.483 -4.696 1.00 0.00 H new ATOM 0 HB2 PHE A 163 -4.060 -3.321 -5.125 1.00 0.00 H new ATOM 0 HB3 PHE A 163 -4.031 -5.071 -5.037 1.00 0.00 H new ATOM 0 HD1 PHE A 163 -5.514 -6.382 -6.665 1.00 0.00 H new ATOM 0 HD2 PHE A 163 -4.692 -2.225 -7.114 1.00 0.00 H new ATOM 0 HE1 PHE A 163 -6.156 -6.512 -9.033 1.00 0.00 H new ATOM 0 HE2 PHE A 163 -5.337 -2.352 -9.483 1.00 0.00 H new ATOM 0 HZ PHE A 163 -6.075 -4.497 -10.444 1.00 0.00 H new ATOM 484 N CYS A 164 -5.780 -6.515 -3.643 1.00 0.00 N ATOM 485 CA CYS A 164 -6.276 -7.879 -3.506 1.00 0.00 C ATOM 486 C CYS A 164 -6.117 -8.374 -2.071 1.00 0.00 C ATOM 487 O CYS A 164 -6.041 -9.578 -1.825 1.00 0.00 O ATOM 488 CB CYS A 164 -5.533 -8.813 -4.464 1.00 0.00 C ATOM 489 SG CYS A 164 -3.790 -9.101 -4.020 1.00 0.00 S ATOM 0 H CYS A 164 -4.856 -6.360 -3.241 1.00 0.00 H new ATOM 0 HA CYS A 164 -7.337 -7.880 -3.757 1.00 0.00 H new ATOM 0 HB2 CYS A 164 -6.052 -9.771 -4.495 1.00 0.00 H new ATOM 0 HB3 CYS A 164 -5.576 -8.394 -5.469 1.00 0.00 H new ATOM 494 N GLN A 165 -6.068 -7.437 -1.130 1.00 0.00 N ATOM 495 CA GLN A 165 -5.917 -7.778 0.280 1.00 0.00 C ATOM 496 C GLN A 165 -4.891 -8.891 0.464 1.00 0.00 C ATOM 497 O GLN A 165 -5.083 -9.799 1.272 1.00 0.00 O ATOM 498 CB GLN A 165 -7.263 -8.207 0.868 1.00 0.00 C ATOM 499 CG GLN A 165 -8.344 -7.145 0.751 1.00 0.00 C ATOM 500 CD GLN A 165 -9.093 -7.218 -0.565 1.00 0.00 C ATOM 501 OE1 GLN A 165 -9.433 -8.301 -1.040 1.00 0.00 O ATOM 502 NE2 GLN A 165 -9.354 -6.061 -1.163 1.00 0.00 N ATOM 0 H GLN A 165 -6.131 -6.436 -1.318 1.00 0.00 H new ATOM 0 HA GLN A 165 -5.563 -6.892 0.807 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -7.599 -9.113 0.363 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -7.127 -8.461 1.919 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -9.050 -7.259 1.573 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -7.892 -6.159 0.853 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -9.054 -5.186 -0.734 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -9.855 -6.048 -2.051 1.00 0.00 H new ATOM 511 N SER A 166 -3.799 -8.813 -0.291 1.00 0.00 N ATOM 512 CA SER A 166 -2.744 -9.816 -0.213 1.00 0.00 C ATOM 513 C SER A 166 -1.671 -9.400 0.789 1.00 0.00 C ATOM 514 O SER A 166 -0.617 -8.888 0.410 1.00 0.00 O ATOM 515 CB SER A 166 -2.114 -10.032 -1.591 1.00 0.00 C ATOM 516 OG SER A 166 -0.863 -10.688 -1.483 1.00 0.00 O ATOM 0 H SER A 166 -3.622 -8.066 -0.963 1.00 0.00 H new ATOM 0 HA SER A 166 -3.190 -10.751 0.126 1.00 0.00 H new ATOM 0 HB2 SER A 166 -2.786 -10.624 -2.213 1.00 0.00 H new ATOM 0 HB3 SER A 166 -1.983 -9.071 -2.089 1.00 0.00 H new ATOM 0 HG SER A 166 -0.632 -11.096 -2.343 1.00 0.00 H new ATOM 522 N ILE A 167 -1.949 -9.624 2.069 1.00 0.00 N ATOM 523 CA ILE A 167 -1.009 -9.273 3.126 1.00 0.00 C ATOM 524 C ILE A 167 0.401 -9.746 2.787 1.00 0.00 C ATOM 525 O ILE A 167 1.383 -9.249 3.339 1.00 0.00 O ATOM 526 CB ILE A 167 -1.430 -9.880 4.478 1.00 0.00 C ATOM 527 CG1 ILE A 167 -1.486 -11.406 4.381 1.00 0.00 C ATOM 528 CG2 ILE A 167 -2.776 -9.321 4.913 1.00 0.00 C ATOM 529 CD1 ILE A 167 -1.629 -12.092 5.722 1.00 0.00 C ATOM 0 H ILE A 167 -2.817 -10.047 2.399 1.00 0.00 H new ATOM 0 HA ILE A 167 -1.016 -8.186 3.206 1.00 0.00 H new ATOM 0 HB ILE A 167 -0.687 -9.610 5.228 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -2.324 -11.691 3.745 1.00 0.00 H new ATOM 0 HG13 ILE A 167 -0.579 -11.765 3.893 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -3.060 -9.759 5.870 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -2.704 -8.238 5.017 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -3.530 -9.564 4.164 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -1.662 -13.172 5.577 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -0.778 -11.837 6.354 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -2.550 -11.762 6.203 1.00 0.00 H new ATOM 541 N SER A 168 0.494 -10.707 1.874 1.00 0.00 N ATOM 542 CA SER A 168 1.783 -11.248 1.462 1.00 0.00 C ATOM 543 C SER A 168 2.633 -10.174 0.788 1.00 0.00 C ATOM 544 O SER A 168 3.648 -9.738 1.332 1.00 0.00 O ATOM 545 CB SER A 168 1.584 -12.429 0.509 1.00 0.00 C ATOM 546 OG SER A 168 2.828 -12.969 0.100 1.00 0.00 O ATOM 0 H SER A 168 -0.309 -11.127 1.405 1.00 0.00 H new ATOM 0 HA SER A 168 2.305 -11.594 2.354 1.00 0.00 H new ATOM 0 HB2 SER A 168 0.993 -13.201 1.001 1.00 0.00 H new ATOM 0 HB3 SER A 168 1.020 -12.104 -0.365 1.00 0.00 H new ATOM 0 HG SER A 168 2.674 -13.723 -0.507 1.00 0.00 H new ATOM 552 N HIS A 169 2.210 -9.753 -0.400 1.00 0.00 N ATOM 553 CA HIS A 169 2.931 -8.730 -1.149 1.00 0.00 C ATOM 554 C HIS A 169 2.277 -7.363 -0.968 1.00 0.00 C ATOM 555 O HIS A 169 1.236 -7.243 -0.324 1.00 0.00 O ATOM 556 CB HIS A 169 2.978 -9.093 -2.634 1.00 0.00 C ATOM 557 CG HIS A 169 1.658 -8.953 -3.327 1.00 0.00 C ATOM 558 ND1 HIS A 169 1.097 -9.958 -4.087 1.00 0.00 N ATOM 559 CD2 HIS A 169 0.785 -7.919 -3.370 1.00 0.00 C ATOM 560 CE1 HIS A 169 -0.062 -9.547 -4.569 1.00 0.00 C ATOM 561 NE2 HIS A 169 -0.275 -8.313 -4.148 1.00 0.00 N ATOM 0 H HIS A 169 1.372 -10.104 -0.864 1.00 0.00 H new ATOM 0 HA HIS A 169 3.949 -8.681 -0.762 1.00 0.00 H new ATOM 0 HB2 HIS A 169 3.710 -8.457 -3.132 1.00 0.00 H new ATOM 0 HB3 HIS A 169 3.326 -10.121 -2.737 1.00 0.00 H new ATOM 0 HD1 HIS A 169 1.512 -10.875 -4.251 1.00 0.00 H new ATOM 0 HD2 HIS A 169 0.901 -6.962 -2.883 1.00 0.00 H new ATOM 0 HE1 HIS A 169 -0.723 -10.122 -5.200 1.00 0.00 H new ATOM 569 N MET A 170 2.897 -6.336 -1.540 1.00 0.00 N ATOM 570 CA MET A 170 2.375 -4.978 -1.442 1.00 0.00 C ATOM 571 C MET A 170 1.818 -4.511 -2.783 1.00 0.00 C ATOM 572 O MET A 170 2.266 -4.955 -3.841 1.00 0.00 O ATOM 573 CB MET A 170 3.471 -4.020 -0.971 1.00 0.00 C ATOM 574 CG MET A 170 3.786 -4.139 0.512 1.00 0.00 C ATOM 575 SD MET A 170 2.733 -3.090 1.532 1.00 0.00 S ATOM 576 CE MET A 170 3.288 -1.463 1.029 1.00 0.00 C ATOM 0 H MET A 170 3.761 -6.418 -2.076 1.00 0.00 H new ATOM 0 HA MET A 170 1.565 -4.979 -0.713 1.00 0.00 H new ATOM 0 HB2 MET A 170 4.379 -4.210 -1.543 1.00 0.00 H new ATOM 0 HB3 MET A 170 3.166 -2.996 -1.188 1.00 0.00 H new ATOM 0 HG2 MET A 170 3.668 -5.177 0.822 1.00 0.00 H new ATOM 0 HG3 MET A 170 4.830 -3.873 0.680 1.00 0.00 H new ATOM 0 HE1 MET A 170 3.124 -0.755 1.841 1.00 0.00 H new ATOM 0 HE2 MET A 170 4.351 -1.499 0.789 1.00 0.00 H new ATOM 0 HE3 MET A 170 2.728 -1.143 0.150 1.00 0.00 H new ATOM 586 N VAL A 171 0.839 -3.614 -2.733 1.00 0.00 N ATOM 587 CA VAL A 171 0.221 -3.087 -3.944 1.00 0.00 C ATOM 588 C VAL A 171 1.277 -2.642 -4.950 1.00 0.00 C ATOM 589 O VAL A 171 1.063 -2.709 -6.160 1.00 0.00 O ATOM 590 CB VAL A 171 -0.705 -1.897 -3.629 1.00 0.00 C ATOM 591 CG1 VAL A 171 0.104 -0.704 -3.145 1.00 0.00 C ATOM 592 CG2 VAL A 171 -1.534 -1.530 -4.851 1.00 0.00 C ATOM 0 H VAL A 171 0.456 -3.237 -1.866 1.00 0.00 H new ATOM 0 HA VAL A 171 -0.371 -3.894 -4.375 1.00 0.00 H new ATOM 0 HB VAL A 171 -1.387 -2.190 -2.831 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -0.567 0.127 -2.928 1.00 0.00 H new ATOM 0 HG12 VAL A 171 0.649 -0.976 -2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 171 0.811 -0.406 -3.919 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -2.183 -0.688 -4.611 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -0.871 -1.255 -5.671 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -2.143 -2.384 -5.147 1.00 0.00 H new ATOM 602 N ALA A 172 2.418 -2.189 -4.441 1.00 0.00 N ATOM 603 CA ALA A 172 3.509 -1.736 -5.295 1.00 0.00 C ATOM 604 C ALA A 172 4.046 -2.878 -6.151 1.00 0.00 C ATOM 605 O ALA A 172 4.485 -2.666 -7.282 1.00 0.00 O ATOM 606 CB ALA A 172 4.624 -1.135 -4.453 1.00 0.00 C ATOM 0 H ALA A 172 2.611 -2.126 -3.441 1.00 0.00 H new ATOM 0 HA ALA A 172 3.120 -0.968 -5.963 1.00 0.00 H new ATOM 0 HB1 ALA A 172 5.432 -0.801 -5.104 1.00 0.00 H new ATOM 0 HB2 ALA A 172 4.237 -0.286 -3.890 1.00 0.00 H new ATOM 0 HB3 ALA A 172 5.003 -1.887 -3.761 1.00 0.00 H new ATOM 612 N SER A 173 4.010 -4.089 -5.605 1.00 0.00 N ATOM 613 CA SER A 173 4.498 -5.264 -6.317 1.00 0.00 C ATOM 614 C SER A 173 3.341 -6.045 -6.934 1.00 0.00 C ATOM 615 O SER A 173 3.519 -6.775 -7.910 1.00 0.00 O ATOM 616 CB SER A 173 5.290 -6.168 -5.371 1.00 0.00 C ATOM 617 OG SER A 173 6.570 -5.623 -5.099 1.00 0.00 O ATOM 0 H SER A 173 3.648 -4.282 -4.671 1.00 0.00 H new ATOM 0 HA SER A 173 5.154 -4.925 -7.119 1.00 0.00 H new ATOM 0 HB2 SER A 173 4.740 -6.296 -4.439 1.00 0.00 H new ATOM 0 HB3 SER A 173 5.399 -7.158 -5.815 1.00 0.00 H new ATOM 0 HG SER A 173 7.056 -6.218 -4.491 1.00 0.00 H new ATOM 623 N CYS A 174 2.154 -5.885 -6.358 1.00 0.00 N ATOM 624 CA CYS A 174 0.967 -6.574 -6.849 1.00 0.00 C ATOM 625 C CYS A 174 0.981 -6.664 -8.372 1.00 0.00 C ATOM 626 O CYS A 174 0.979 -5.656 -9.079 1.00 0.00 O ATOM 627 CB CYS A 174 -0.298 -5.851 -6.382 1.00 0.00 C ATOM 628 SG CYS A 174 -1.828 -6.816 -6.594 1.00 0.00 S ATOM 0 H CYS A 174 1.989 -5.284 -5.551 1.00 0.00 H new ATOM 0 HA CYS A 174 0.971 -7.585 -6.443 1.00 0.00 H new ATOM 0 HB2 CYS A 174 -0.188 -5.592 -5.329 1.00 0.00 H new ATOM 0 HB3 CYS A 174 -0.393 -4.915 -6.932 1.00 0.00 H new ATOM 633 N PRO A 175 0.994 -7.901 -8.892 1.00 0.00 N ATOM 634 CA PRO A 175 1.008 -8.153 -10.336 1.00 0.00 C ATOM 635 C PRO A 175 -0.313 -7.782 -11.001 1.00 0.00 C ATOM 636 O PRO A 175 -0.331 -7.175 -12.073 1.00 0.00 O ATOM 637 CB PRO A 175 1.249 -9.662 -10.430 1.00 0.00 C ATOM 638 CG PRO A 175 0.736 -10.209 -9.143 1.00 0.00 C ATOM 639 CD PRO A 175 0.997 -9.148 -8.109 1.00 0.00 C ATOM 0 HA PRO A 175 1.762 -7.555 -10.848 1.00 0.00 H new ATOM 0 HB2 PRO A 175 0.723 -10.094 -11.281 1.00 0.00 H new ATOM 0 HB3 PRO A 175 2.308 -9.886 -10.561 1.00 0.00 H new ATOM 0 HG2 PRO A 175 -0.328 -10.434 -9.211 1.00 0.00 H new ATOM 0 HG3 PRO A 175 1.243 -11.139 -8.885 1.00 0.00 H new ATOM 0 HD2 PRO A 175 0.227 -9.140 -7.338 1.00 0.00 H new ATOM 0 HD3 PRO A 175 1.951 -9.304 -7.605 1.00 0.00 H new ATOM 647 N LEU A 176 -1.417 -8.151 -10.361 1.00 0.00 N ATOM 648 CA LEU A 176 -2.743 -7.856 -10.891 1.00 0.00 C ATOM 649 C LEU A 176 -2.855 -6.389 -11.293 1.00 0.00 C ATOM 650 O LEU A 176 -3.431 -6.061 -12.331 1.00 0.00 O ATOM 651 CB LEU A 176 -3.815 -8.195 -9.854 1.00 0.00 C ATOM 652 CG LEU A 176 -3.869 -9.653 -9.396 1.00 0.00 C ATOM 653 CD1 LEU A 176 -4.630 -9.774 -8.085 1.00 0.00 C ATOM 654 CD2 LEU A 176 -4.507 -10.526 -10.468 1.00 0.00 C ATOM 0 H LEU A 176 -1.420 -8.655 -9.474 1.00 0.00 H new ATOM 0 HA LEU A 176 -2.897 -8.470 -11.779 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -3.657 -7.566 -8.978 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -4.788 -7.928 -10.266 1.00 0.00 H new ATOM 0 HG LEU A 176 -2.849 -10.000 -9.233 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -4.658 -10.819 -7.775 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -4.131 -9.181 -7.318 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -5.648 -9.409 -8.220 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -4.537 -11.560 -10.125 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -5.522 -10.179 -10.664 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -3.920 -10.465 -11.384 1.00 0.00 H new ATOM 666 N LYS A 177 -2.299 -5.510 -10.467 1.00 0.00 N ATOM 667 CA LYS A 177 -2.333 -4.077 -10.737 1.00 0.00 C ATOM 668 C LYS A 177 -1.718 -3.766 -12.097 1.00 0.00 C ATOM 669 O LYS A 177 -2.329 -3.092 -12.926 1.00 0.00 O ATOM 670 CB LYS A 177 -1.586 -3.313 -9.641 1.00 0.00 C ATOM 671 CG LYS A 177 -1.638 -1.805 -9.808 1.00 0.00 C ATOM 672 CD LYS A 177 -1.032 -1.090 -8.612 1.00 0.00 C ATOM 673 CE LYS A 177 0.459 -0.853 -8.801 1.00 0.00 C ATOM 674 NZ LYS A 177 0.733 0.444 -9.480 1.00 0.00 N ATOM 0 H LYS A 177 -1.819 -5.765 -9.604 1.00 0.00 H new ATOM 0 HA LYS A 177 -3.375 -3.759 -10.747 1.00 0.00 H new ATOM 0 HB2 LYS A 177 -2.009 -3.578 -8.672 1.00 0.00 H new ATOM 0 HB3 LYS A 177 -0.544 -3.633 -9.632 1.00 0.00 H new ATOM 0 HG2 LYS A 177 -1.102 -1.520 -10.713 1.00 0.00 H new ATOM 0 HG3 LYS A 177 -2.673 -1.488 -9.937 1.00 0.00 H new ATOM 0 HD2 LYS A 177 -1.537 -0.136 -8.463 1.00 0.00 H new ATOM 0 HD3 LYS A 177 -1.196 -1.682 -7.711 1.00 0.00 H new ATOM 0 HE2 LYS A 177 0.955 -0.867 -7.830 1.00 0.00 H new ATOM 0 HE3 LYS A 177 0.885 -1.667 -9.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 1.760 0.568 -9.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 0.281 0.448 -10.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 0.349 1.223 -8.908 1.00 0.00 H new ATOM 688 N ALA A 178 -0.505 -4.262 -12.321 1.00 0.00 N ATOM 689 CA ALA A 178 0.190 -4.039 -13.583 1.00 0.00 C ATOM 690 C ALA A 178 0.017 -5.228 -14.522 1.00 0.00 C ATOM 691 O ALA A 178 0.956 -5.626 -15.211 1.00 0.00 O ATOM 692 CB ALA A 178 1.667 -3.773 -13.331 1.00 0.00 C ATOM 0 H ALA A 178 0.016 -4.821 -11.645 1.00 0.00 H new ATOM 0 HA ALA A 178 -0.249 -3.164 -14.063 1.00 0.00 H new ATOM 0 HB1 ALA A 178 2.174 -3.608 -14.282 1.00 0.00 H new ATOM 0 HB2 ALA A 178 1.775 -2.888 -12.704 1.00 0.00 H new ATOM 0 HB3 ALA A 178 2.111 -4.632 -12.827 1.00 0.00 H new ATOM 698 N GLN A 179 -1.187 -5.789 -14.544 1.00 0.00 N ATOM 699 CA GLN A 179 -1.482 -6.933 -15.399 1.00 0.00 C ATOM 700 C GLN A 179 -0.784 -6.798 -16.748 1.00 0.00 C ATOM 701 O GLN A 179 -0.153 -7.740 -17.227 1.00 0.00 O ATOM 702 CB GLN A 179 -2.991 -7.068 -15.603 1.00 0.00 C ATOM 703 CG GLN A 179 -3.443 -8.495 -15.872 1.00 0.00 C ATOM 704 CD GLN A 179 -3.655 -9.289 -14.598 1.00 0.00 C ATOM 705 OE1 GLN A 179 -2.753 -9.406 -13.768 1.00 0.00 O ATOM 706 NE2 GLN A 179 -4.852 -9.841 -14.436 1.00 0.00 N ATOM 0 H GLN A 179 -1.975 -5.470 -13.980 1.00 0.00 H new ATOM 0 HA GLN A 179 -1.108 -7.830 -14.905 1.00 0.00 H new ATOM 0 HB2 GLN A 179 -3.504 -6.694 -14.717 1.00 0.00 H new ATOM 0 HB3 GLN A 179 -3.295 -6.436 -16.438 1.00 0.00 H new ATOM 0 HG2 GLN A 179 -4.371 -8.477 -16.443 1.00 0.00 H new ATOM 0 HG3 GLN A 179 -2.699 -8.998 -16.490 1.00 0.00 H new ATOM 0 HE21 GLN A 179 -5.571 -9.719 -15.149 1.00 0.00 H new ATOM 0 HE22 GLN A 179 -5.053 -10.387 -13.598 1.00 0.00 H new ATOM 715 N GLN A 180 -0.902 -5.621 -17.355 1.00 0.00 N ATOM 716 CA GLN A 180 -0.283 -5.365 -18.650 1.00 0.00 C ATOM 717 C GLN A 180 1.218 -5.139 -18.500 1.00 0.00 C ATOM 718 O GLN A 180 1.655 -4.319 -17.694 1.00 0.00 O ATOM 719 CB GLN A 180 -0.930 -4.149 -19.316 1.00 0.00 C ATOM 720 CG GLN A 180 -0.811 -2.872 -18.499 1.00 0.00 C ATOM 721 CD GLN A 180 -1.300 -1.651 -19.252 1.00 0.00 C ATOM 722 OE1 GLN A 180 -2.464 -1.264 -19.140 1.00 0.00 O ATOM 723 NE2 GLN A 180 -0.412 -1.035 -20.024 1.00 0.00 N ATOM 0 H GLN A 180 -1.420 -4.831 -16.971 1.00 0.00 H new ATOM 0 HA GLN A 180 -0.439 -6.241 -19.279 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -0.469 -3.991 -20.291 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -1.985 -4.360 -19.493 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -1.384 -2.980 -17.578 1.00 0.00 H new ATOM 0 HG3 GLN A 180 0.230 -2.724 -18.212 1.00 0.00 H new ATOM 0 HE21 GLN A 180 0.542 -1.390 -20.087 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -0.684 -0.207 -20.554 1.00 0.00 H new ATOM 732 N GLY A 181 2.003 -5.872 -19.284 1.00 0.00 N ATOM 733 CA GLY A 181 3.447 -5.738 -19.223 1.00 0.00 C ATOM 734 C GLY A 181 4.157 -6.660 -20.194 1.00 0.00 C ATOM 735 O GLY A 181 3.576 -7.610 -20.718 1.00 0.00 O ATOM 0 H GLY A 181 1.665 -6.556 -19.960 1.00 0.00 H new ATOM 0 HA2 GLY A 181 3.722 -4.706 -19.440 1.00 0.00 H new ATOM 0 HA3 GLY A 181 3.786 -5.952 -18.209 1.00 0.00 H new ATOM 739 N PRO A 182 5.444 -6.380 -20.447 1.00 0.00 N ATOM 740 CA PRO A 182 6.262 -7.180 -21.364 1.00 0.00 C ATOM 741 C PRO A 182 6.570 -8.566 -20.808 1.00 0.00 C ATOM 742 O PRO A 182 6.438 -8.807 -19.608 1.00 0.00 O ATOM 743 CB PRO A 182 7.547 -6.360 -21.500 1.00 0.00 C ATOM 744 CG PRO A 182 7.622 -5.563 -20.244 1.00 0.00 C ATOM 745 CD PRO A 182 6.200 -5.263 -19.858 1.00 0.00 C ATOM 0 HA PRO A 182 5.754 -7.361 -22.311 1.00 0.00 H new ATOM 0 HB2 PRO A 182 8.418 -7.005 -21.612 1.00 0.00 H new ATOM 0 HB3 PRO A 182 7.514 -5.714 -22.377 1.00 0.00 H new ATOM 0 HG2 PRO A 182 8.130 -6.121 -19.458 1.00 0.00 H new ATOM 0 HG3 PRO A 182 8.187 -4.644 -20.398 1.00 0.00 H new ATOM 0 HD2 PRO A 182 6.078 -5.221 -18.776 1.00 0.00 H new ATOM 0 HD3 PRO A 182 5.870 -4.302 -20.253 1.00 0.00 H new ATOM 753 N SER A 183 6.982 -9.473 -21.687 1.00 0.00 N ATOM 754 CA SER A 183 7.306 -10.837 -21.284 1.00 0.00 C ATOM 755 C SER A 183 8.714 -10.910 -20.699 1.00 0.00 C ATOM 756 O SER A 183 8.930 -11.512 -19.647 1.00 0.00 O ATOM 757 CB SER A 183 7.188 -11.786 -22.477 1.00 0.00 C ATOM 758 OG SER A 183 7.946 -11.318 -23.579 1.00 0.00 O ATOM 0 H SER A 183 7.100 -9.289 -22.683 1.00 0.00 H new ATOM 0 HA SER A 183 6.595 -11.141 -20.516 1.00 0.00 H new ATOM 0 HB2 SER A 183 7.533 -12.780 -22.191 1.00 0.00 H new ATOM 0 HB3 SER A 183 6.142 -11.883 -22.766 1.00 0.00 H new ATOM 0 HG SER A 183 7.855 -11.943 -24.328 1.00 0.00 H new ATOM 764 N ALA A 184 9.667 -10.292 -21.389 1.00 0.00 N ATOM 765 CA ALA A 184 11.053 -10.285 -20.938 1.00 0.00 C ATOM 766 C ALA A 184 11.314 -9.125 -19.983 1.00 0.00 C ATOM 767 O ALA A 184 10.470 -8.245 -19.818 1.00 0.00 O ATOM 768 CB ALA A 184 11.996 -10.211 -22.130 1.00 0.00 C ATOM 0 H ALA A 184 9.505 -9.790 -22.262 1.00 0.00 H new ATOM 0 HA ALA A 184 11.238 -11.214 -20.399 1.00 0.00 H new ATOM 0 HB1 ALA A 184 13.028 -10.207 -21.778 1.00 0.00 H new ATOM 0 HB2 ALA A 184 11.836 -11.075 -22.775 1.00 0.00 H new ATOM 0 HB3 ALA A 184 11.801 -9.298 -22.692 1.00 0.00 H new ATOM 774 N GLN A 185 12.486 -9.133 -19.356 1.00 0.00 N ATOM 775 CA GLN A 185 12.856 -8.081 -18.416 1.00 0.00 C ATOM 776 C GLN A 185 12.940 -6.730 -19.117 1.00 0.00 C ATOM 777 O GLN A 185 13.621 -6.586 -20.131 1.00 0.00 O ATOM 778 CB GLN A 185 14.194 -8.409 -17.752 1.00 0.00 C ATOM 779 CG GLN A 185 14.608 -7.405 -16.688 1.00 0.00 C ATOM 780 CD GLN A 185 14.000 -7.708 -15.332 1.00 0.00 C ATOM 781 OE1 GLN A 185 13.345 -6.858 -14.729 1.00 0.00 O ATOM 782 NE2 GLN A 185 14.215 -8.925 -14.845 1.00 0.00 N ATOM 0 H GLN A 185 13.195 -9.855 -19.482 1.00 0.00 H new ATOM 0 HA GLN A 185 12.083 -8.024 -17.650 1.00 0.00 H new ATOM 0 HB2 GLN A 185 14.133 -9.399 -17.301 1.00 0.00 H new ATOM 0 HB3 GLN A 185 14.969 -8.455 -18.518 1.00 0.00 H new ATOM 0 HG2 GLN A 185 15.695 -7.400 -16.602 1.00 0.00 H new ATOM 0 HG3 GLN A 185 14.308 -6.405 -17.001 1.00 0.00 H new ATOM 0 HE21 GLN A 185 14.764 -9.598 -15.379 1.00 0.00 H new ATOM 0 HE22 GLN A 185 13.831 -9.186 -13.937 1.00 0.00 H new ATOM 791 N GLY A 186 12.242 -5.739 -18.569 1.00 0.00 N ATOM 792 CA GLY A 186 12.251 -4.412 -19.155 1.00 0.00 C ATOM 793 C GLY A 186 11.004 -3.620 -18.817 1.00 0.00 C ATOM 794 O GLY A 186 9.919 -3.914 -19.318 1.00 0.00 O ATOM 0 H GLY A 186 11.670 -5.832 -17.729 1.00 0.00 H new ATOM 0 HA2 GLY A 186 13.129 -3.869 -18.804 1.00 0.00 H new ATOM 0 HA3 GLY A 186 12.341 -4.497 -20.238 1.00 0.00 H new ATOM 798 N SER A 187 11.157 -2.613 -17.963 1.00 0.00 N ATOM 799 CA SER A 187 10.033 -1.780 -17.554 1.00 0.00 C ATOM 800 C SER A 187 9.433 -1.050 -18.752 1.00 0.00 C ATOM 801 O SER A 187 8.215 -0.990 -18.911 1.00 0.00 O ATOM 802 CB SER A 187 10.479 -0.768 -16.497 1.00 0.00 C ATOM 803 OG SER A 187 9.411 0.087 -16.126 1.00 0.00 O ATOM 0 H SER A 187 12.049 -2.354 -17.541 1.00 0.00 H new ATOM 0 HA SER A 187 9.269 -2.429 -17.126 1.00 0.00 H new ATOM 0 HB2 SER A 187 10.849 -1.295 -15.618 1.00 0.00 H new ATOM 0 HB3 SER A 187 11.307 -0.174 -16.884 1.00 0.00 H new ATOM 0 HG SER A 187 9.722 0.723 -15.448 1.00 0.00 H new ATOM 809 N GLY A 188 10.300 -0.496 -19.594 1.00 0.00 N ATOM 810 CA GLY A 188 9.839 0.223 -20.767 1.00 0.00 C ATOM 811 C GLY A 188 9.817 1.724 -20.556 1.00 0.00 C ATOM 812 O GLY A 188 9.427 2.218 -19.498 1.00 0.00 O ATOM 0 H GLY A 188 11.313 -0.532 -19.485 1.00 0.00 H new ATOM 0 HA2 GLY A 188 10.487 -0.013 -21.611 1.00 0.00 H new ATOM 0 HA3 GLY A 188 8.837 -0.119 -21.028 1.00 0.00 H new ATOM 816 N PRO A 189 10.247 2.476 -21.581 1.00 0.00 N ATOM 817 CA PRO A 189 10.286 3.940 -21.526 1.00 0.00 C ATOM 818 C PRO A 189 8.891 4.558 -21.529 1.00 0.00 C ATOM 819 O PRO A 189 7.981 4.056 -22.189 1.00 0.00 O ATOM 820 CB PRO A 189 11.043 4.323 -22.800 1.00 0.00 C ATOM 821 CG PRO A 189 10.815 3.184 -23.733 1.00 0.00 C ATOM 822 CD PRO A 189 10.727 1.954 -22.871 1.00 0.00 C ATOM 0 HA PRO A 189 10.755 4.301 -20.610 1.00 0.00 H new ATOM 0 HB2 PRO A 189 10.668 5.258 -23.217 1.00 0.00 H new ATOM 0 HB3 PRO A 189 12.105 4.466 -22.602 1.00 0.00 H new ATOM 0 HG2 PRO A 189 9.898 3.326 -24.305 1.00 0.00 H new ATOM 0 HG3 PRO A 189 11.630 3.099 -24.452 1.00 0.00 H new ATOM 0 HD2 PRO A 189 10.039 1.219 -23.288 1.00 0.00 H new ATOM 0 HD3 PRO A 189 11.695 1.463 -22.771 1.00 0.00 H new ATOM 830 N SER A 190 8.731 5.650 -20.789 1.00 0.00 N ATOM 831 CA SER A 190 7.446 6.334 -20.704 1.00 0.00 C ATOM 832 C SER A 190 7.635 7.801 -20.328 1.00 0.00 C ATOM 833 O SER A 190 8.367 8.124 -19.392 1.00 0.00 O ATOM 834 CB SER A 190 6.544 5.645 -19.678 1.00 0.00 C ATOM 835 OG SER A 190 5.967 4.468 -20.215 1.00 0.00 O ATOM 0 H SER A 190 9.475 6.080 -20.240 1.00 0.00 H new ATOM 0 HA SER A 190 6.972 6.286 -21.684 1.00 0.00 H new ATOM 0 HB2 SER A 190 7.123 5.397 -18.789 1.00 0.00 H new ATOM 0 HB3 SER A 190 5.756 6.330 -19.364 1.00 0.00 H new ATOM 0 HG SER A 190 6.460 4.199 -21.018 1.00 0.00 H new ATOM 841 N SER A 191 6.970 8.684 -21.065 1.00 0.00 N ATOM 842 CA SER A 191 7.067 10.117 -20.813 1.00 0.00 C ATOM 843 C SER A 191 8.455 10.639 -21.172 1.00 0.00 C ATOM 844 O SER A 191 9.035 11.445 -20.444 1.00 0.00 O ATOM 845 CB SER A 191 6.759 10.420 -19.345 1.00 0.00 C ATOM 846 OG SER A 191 6.482 11.797 -19.156 1.00 0.00 O ATOM 0 H SER A 191 6.358 8.433 -21.841 1.00 0.00 H new ATOM 0 HA SER A 191 6.334 10.622 -21.442 1.00 0.00 H new ATOM 0 HB2 SER A 191 5.905 9.826 -19.019 1.00 0.00 H new ATOM 0 HB3 SER A 191 7.606 10.128 -18.725 1.00 0.00 H new ATOM 0 HG SER A 191 7.232 12.331 -19.491 1.00 0.00 H new ATOM 852 N GLY A 192 8.983 10.173 -22.300 1.00 0.00 N ATOM 853 CA GLY A 192 10.299 10.603 -22.736 1.00 0.00 C ATOM 854 C GLY A 192 10.455 12.110 -22.708 1.00 0.00 C ATOM 855 O GLY A 192 9.902 12.786 -23.574 1.00 0.00 O ATOM 0 H GLY A 192 8.523 9.506 -22.919 1.00 0.00 H new ATOM 0 HA2 GLY A 192 11.056 10.150 -22.096 1.00 0.00 H new ATOM 0 HA3 GLY A 192 10.479 10.241 -23.748 1.00 0.00 H new TER 859 GLY A 192 HETATM 860 ZN ZN A 330 -6.015 10.713 0.479 1.00 0.00 ZN HETATM 861 ZN ZN A 530 -2.369 -7.291 -4.337 1.00 0.00 ZN