USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 531 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 175 LYS NZ :NH3+ -152:sc= 0.959 (180deg=-0.0791) USER MOD Set 1.2: A 189 TYR OH : rot -115:sc= 2.08 USER MOD Set 1.3: A 193 GLN : amide:sc= 1.48 K(o=4.5,f=-0.81) USER MOD Set 2.1: A 171 CYS SG : rot 137:sc= 0.699 USER MOD Set 2.2: A 177 CYS SG : rot -154:sc= 0.363 USER MOD Set 2.3: A 187 CYS SG : rot -170:sc= -0.371 USER MOD Set 2.4: A 190 CYS SG : rot 120:sc= -1.17 USER MOD Set 3.1: A 162 THR OG1 : rot 84:sc= 2.06 USER MOD Set 3.2: A 169 TYR OH : rot -170:sc= 1.22 USER MOD Set 4.1: A 143 SER OG : rot 180:sc= -0.162 USER MOD Set 4.2: A 146 HIS : no HD1:sc= -4.07 K(o=-3,f=-9!) USER MOD Set 4.3: A 151 SER OG : rot -96:sc= 1.28 USER MOD Set 4.4: A 200 MET CE :methyl 170:sc= -0.0995 (180deg=-0.392) USER MOD Set 5.1: A 147 TYR OH : rot -167:sc= 1.14 USER MOD Set 5.2: A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 135 CYS SG : rot 13:sc= 0.274 USER MOD Set 6.2: A 138 CYS SG : rot -23:sc= 0.082 USER MOD Set 6.3: A 152 CYS SG : rot -75:sc= 0.286 USER MOD Set 6.4: A 155 CYS SG : rot 158:sc= 0.393 USER MOD Single : A 133 HIS : no HD1:sc= -1.22 X(o=-1.2,f=-1.5) USER MOD Single : A 142 SER OG : rot 91:sc= 0.679 USER MOD Single : A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 THR OG1 : rot 180:sc= 0 USER MOD Single : A 170 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 174 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 188 GLN : amide:sc= 0.966 K(o=0.97,f=-4.8!) USER MOD Single : A 192 TYR OH : rot 137:sc= 2.2 USER MOD Single : A 194 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0065) USER MOD Single : A 198 MET CE :methyl 165:sc= -0.636 (180deg=-1.22) USER MOD Single : A 201 LYS NZ :NH3+ -153:sc= 0.00706 (180deg=0) USER MOD Single : A 206 GLN : amide:sc= -0.0831 K(o=-0.083,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 57 N HIS A 133 -3.661 -4.258 15.473 1.00 0.00 N ATOM 58 CA HIS A 133 -2.908 -3.824 14.305 1.00 0.00 C ATOM 59 C HIS A 133 -3.337 -4.511 13.004 1.00 0.00 C ATOM 60 O HIS A 133 -2.585 -5.288 12.411 1.00 0.00 O ATOM 61 CB HIS A 133 -1.402 -3.965 14.562 1.00 0.00 C ATOM 62 CG HIS A 133 -0.880 -3.127 15.705 1.00 0.00 C ATOM 63 ND1 HIS A 133 -1.565 -2.157 16.403 1.00 0.00 N ATOM 64 CD2 HIS A 133 0.399 -3.153 16.193 1.00 0.00 C ATOM 65 CE1 HIS A 133 -0.728 -1.650 17.322 1.00 0.00 C ATOM 66 NE2 HIS A 133 0.487 -2.215 17.226 1.00 0.00 N ATOM 0 HA HIS A 133 -3.140 -2.770 14.153 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -1.177 -5.012 14.764 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -0.864 -3.693 13.654 1.00 0.00 H new ATOM 0 HD2 HIS A 133 1.200 -3.787 15.842 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -0.995 -0.890 18.042 1.00 0.00 H new ATOM 0 HE2 HIS A 133 1.308 -2.003 17.793 1.00 0.00 H new ATOM 74 N ILE A 134 -4.526 -4.167 12.510 1.00 0.00 N ATOM 75 CA ILE A 134 -4.948 -4.584 11.186 1.00 0.00 C ATOM 76 C ILE A 134 -4.223 -3.681 10.186 1.00 0.00 C ATOM 77 O ILE A 134 -3.820 -2.566 10.516 1.00 0.00 O ATOM 78 CB ILE A 134 -6.478 -4.557 11.005 1.00 0.00 C ATOM 79 CG1 ILE A 134 -7.246 -3.403 11.676 1.00 0.00 C ATOM 80 CG2 ILE A 134 -7.062 -5.889 11.479 1.00 0.00 C ATOM 81 CD1 ILE A 134 -6.815 -2.014 11.201 1.00 0.00 C ATOM 0 H ILE A 134 -5.210 -3.600 13.012 1.00 0.00 H new ATOM 0 HA ILE A 134 -4.682 -5.628 11.021 1.00 0.00 H new ATOM 0 HB ILE A 134 -6.617 -4.385 9.938 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -8.312 -3.528 11.483 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -7.108 -3.466 12.755 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -8.145 -5.877 11.354 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -6.638 -6.702 10.890 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -6.820 -6.038 12.531 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -7.401 -1.254 11.719 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -5.757 -1.867 11.419 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -6.980 -1.930 10.127 1.00 0.00 H new ATOM 93 N CYS A 135 -4.019 -4.170 8.968 1.00 0.00 N ATOM 94 CA CYS A 135 -3.344 -3.415 7.939 1.00 0.00 C ATOM 95 C CYS A 135 -4.246 -2.246 7.582 1.00 0.00 C ATOM 96 O CYS A 135 -5.357 -2.463 7.099 1.00 0.00 O ATOM 97 CB CYS A 135 -3.069 -4.296 6.722 1.00 0.00 C ATOM 98 SG CYS A 135 -2.289 -3.405 5.359 1.00 0.00 S ATOM 0 H CYS A 135 -4.319 -5.100 8.674 1.00 0.00 H new ATOM 0 HA CYS A 135 -2.377 -3.053 8.289 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -2.427 -5.125 7.020 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -4.008 -4.728 6.375 1.00 0.00 H new ATOM 0 HG CYS A 135 -1.867 -2.250 5.781 1.00 0.00 H new ATOM 103 N ALA A 136 -3.768 -1.024 7.818 1.00 0.00 N ATOM 104 CA ALA A 136 -4.502 0.210 7.568 1.00 0.00 C ATOM 105 C ALA A 136 -5.213 0.215 6.212 1.00 0.00 C ATOM 106 O ALA A 136 -6.286 0.794 6.064 1.00 0.00 O ATOM 107 CB ALA A 136 -3.515 1.375 7.663 1.00 0.00 C ATOM 0 H ALA A 136 -2.835 -0.864 8.198 1.00 0.00 H new ATOM 0 HA ALA A 136 -5.288 0.304 8.317 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -4.040 2.312 7.479 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -3.072 1.396 8.659 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.729 1.248 6.919 1.00 0.00 H new ATOM 113 N ILE A 137 -4.587 -0.412 5.216 1.00 0.00 N ATOM 114 CA ILE A 137 -5.090 -0.480 3.859 1.00 0.00 C ATOM 115 C ILE A 137 -6.160 -1.566 3.699 1.00 0.00 C ATOM 116 O ILE A 137 -7.328 -1.248 3.502 1.00 0.00 O ATOM 117 CB ILE A 137 -3.901 -0.676 2.903 1.00 0.00 C ATOM 118 CG1 ILE A 137 -2.946 0.530 2.971 1.00 0.00 C ATOM 119 CG2 ILE A 137 -4.378 -0.869 1.459 1.00 0.00 C ATOM 120 CD1 ILE A 137 -1.521 0.114 2.610 1.00 0.00 C ATOM 0 H ILE A 137 -3.697 -0.895 5.341 1.00 0.00 H new ATOM 0 HA ILE A 137 -5.591 0.455 3.609 1.00 0.00 H new ATOM 0 HB ILE A 137 -3.370 -1.574 3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -3.287 1.308 2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -2.962 0.956 3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -3.516 -1.005 0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -5.019 -1.749 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -4.939 0.010 1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -0.864 0.982 2.665 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -1.176 -0.647 3.310 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -1.505 -0.290 1.598 1.00 0.00 H new ATOM 132 N CYS A 138 -5.751 -2.841 3.698 1.00 0.00 N ATOM 133 CA CYS A 138 -6.610 -3.979 3.361 1.00 0.00 C ATOM 134 C CYS A 138 -7.179 -4.768 4.544 1.00 0.00 C ATOM 135 O CYS A 138 -7.908 -5.735 4.333 1.00 0.00 O ATOM 136 CB CYS A 138 -5.852 -4.884 2.383 1.00 0.00 C ATOM 137 SG CYS A 138 -4.213 -5.443 2.917 1.00 0.00 S ATOM 0 H CYS A 138 -4.797 -3.113 3.936 1.00 0.00 H new ATOM 0 HA CYS A 138 -7.506 -3.564 2.900 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -6.465 -5.763 2.183 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -5.741 -4.351 1.439 1.00 0.00 H new ATOM 0 HG CYS A 138 -3.745 -4.624 3.812 1.00 0.00 H new ATOM 142 N GLY A 139 -6.881 -4.380 5.783 1.00 0.00 N ATOM 143 CA GLY A 139 -7.431 -5.038 6.963 1.00 0.00 C ATOM 144 C GLY A 139 -6.799 -6.396 7.291 1.00 0.00 C ATOM 145 O GLY A 139 -7.279 -7.094 8.181 1.00 0.00 O ATOM 0 H GLY A 139 -6.254 -3.604 5.995 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -7.307 -4.378 7.821 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -8.503 -5.176 6.819 1.00 0.00 H new ATOM 149 N ASP A 140 -5.720 -6.777 6.602 1.00 0.00 N ATOM 150 CA ASP A 140 -4.992 -8.018 6.848 1.00 0.00 C ATOM 151 C ASP A 140 -4.297 -7.932 8.213 1.00 0.00 C ATOM 152 O ASP A 140 -4.221 -6.858 8.798 1.00 0.00 O ATOM 153 CB ASP A 140 -3.915 -8.195 5.766 1.00 0.00 C ATOM 154 CG ASP A 140 -4.422 -8.494 4.357 1.00 0.00 C ATOM 155 OD1 ASP A 140 -5.653 -8.496 4.139 1.00 0.00 O ATOM 156 OD2 ASP A 140 -3.549 -8.721 3.492 1.00 0.00 O ATOM 0 H ASP A 140 -5.324 -6.220 5.845 1.00 0.00 H new ATOM 0 HA ASP A 140 -5.687 -8.857 6.830 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.313 -7.287 5.729 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -3.252 -9.004 6.071 1.00 0.00 H new ATOM 161 N ARG A 141 -3.724 -9.025 8.717 1.00 0.00 N ATOM 162 CA ARG A 141 -2.944 -8.953 9.948 1.00 0.00 C ATOM 163 C ARG A 141 -1.657 -8.181 9.632 1.00 0.00 C ATOM 164 O ARG A 141 -0.938 -8.568 8.710 1.00 0.00 O ATOM 165 CB ARG A 141 -2.600 -10.370 10.430 1.00 0.00 C ATOM 166 CG ARG A 141 -1.777 -10.334 11.731 1.00 0.00 C ATOM 167 CD ARG A 141 -1.055 -11.655 12.035 1.00 0.00 C ATOM 168 NE ARG A 141 -0.333 -12.213 10.880 1.00 0.00 N ATOM 169 CZ ARG A 141 0.716 -11.677 10.234 1.00 0.00 C ATOM 170 NH1 ARG A 141 1.250 -10.505 10.594 1.00 0.00 N ATOM 171 NH2 ARG A 141 1.239 -12.337 9.195 1.00 0.00 N ATOM 0 H ARG A 141 -3.784 -9.954 8.300 1.00 0.00 H new ATOM 0 HA ARG A 141 -3.509 -8.452 10.734 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -3.518 -10.934 10.594 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -2.038 -10.893 9.656 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -1.040 -9.533 11.664 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -2.438 -10.090 12.563 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -0.350 -11.494 12.850 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -1.785 -12.386 12.384 1.00 0.00 H new ATOM 0 HE ARG A 141 -0.668 -13.110 10.530 1.00 0.00 H new ATOM 0 HH11 ARG A 141 0.861 -9.988 11.382 1.00 0.00 H new ATOM 0 HH12 ARG A 141 2.047 -10.128 10.080 1.00 0.00 H new ATOM 0 HH21 ARG A 141 0.841 -13.231 8.906 1.00 0.00 H new ATOM 0 HH22 ARG A 141 2.036 -11.947 8.692 1.00 0.00 H new ATOM 185 N SER A 142 -1.338 -7.114 10.373 1.00 0.00 N ATOM 186 CA SER A 142 -0.091 -6.407 10.117 1.00 0.00 C ATOM 187 C SER A 142 1.102 -7.201 10.641 1.00 0.00 C ATOM 188 O SER A 142 0.992 -7.898 11.650 1.00 0.00 O ATOM 189 CB SER A 142 -0.078 -5.039 10.801 1.00 0.00 C ATOM 190 OG SER A 142 -1.161 -4.265 10.348 1.00 0.00 O ATOM 0 H SER A 142 -1.908 -6.735 11.129 1.00 0.00 H new ATOM 0 HA SER A 142 -0.017 -6.282 9.037 1.00 0.00 H new ATOM 0 HB2 SER A 142 -0.136 -5.163 11.882 1.00 0.00 H new ATOM 0 HB3 SER A 142 0.860 -4.526 10.589 1.00 0.00 H new ATOM 0 HG SER A 142 -1.934 -4.411 10.932 1.00 0.00 H new ATOM 196 N SER A 143 2.257 -7.034 9.997 1.00 0.00 N ATOM 197 CA SER A 143 3.526 -7.570 10.465 1.00 0.00 C ATOM 198 C SER A 143 4.274 -6.455 11.199 1.00 0.00 C ATOM 199 O SER A 143 5.016 -6.733 12.137 1.00 0.00 O ATOM 200 CB SER A 143 4.338 -8.145 9.303 1.00 0.00 C ATOM 201 OG SER A 143 4.251 -7.315 8.165 1.00 0.00 O ATOM 0 H SER A 143 2.334 -6.514 9.123 1.00 0.00 H new ATOM 0 HA SER A 143 3.357 -8.397 11.155 1.00 0.00 H new ATOM 0 HB2 SER A 143 5.381 -8.251 9.601 1.00 0.00 H new ATOM 0 HB3 SER A 143 3.973 -9.143 9.059 1.00 0.00 H new ATOM 0 HG SER A 143 4.779 -7.703 7.436 1.00 0.00 H new ATOM 207 N GLY A 144 4.083 -5.194 10.789 1.00 0.00 N ATOM 208 CA GLY A 144 4.728 -4.067 11.434 1.00 0.00 C ATOM 209 C GLY A 144 4.172 -2.748 10.908 1.00 0.00 C ATOM 210 O GLY A 144 3.365 -2.725 9.974 1.00 0.00 O ATOM 0 H GLY A 144 3.480 -4.939 10.007 1.00 0.00 H new ATOM 0 HA2 GLY A 144 4.578 -4.125 12.512 1.00 0.00 H new ATOM 0 HA3 GLY A 144 5.803 -4.109 11.259 1.00 0.00 H new ATOM 214 N LYS A 145 4.613 -1.639 11.509 1.00 0.00 N ATOM 215 CA LYS A 145 4.210 -0.307 11.092 1.00 0.00 C ATOM 216 C LYS A 145 5.053 0.107 9.884 1.00 0.00 C ATOM 217 O LYS A 145 5.989 0.901 9.988 1.00 0.00 O ATOM 218 CB LYS A 145 4.197 0.680 12.272 1.00 0.00 C ATOM 219 CG LYS A 145 5.531 0.889 13.005 1.00 0.00 C ATOM 220 CD LYS A 145 5.323 1.629 14.336 1.00 0.00 C ATOM 221 CE LYS A 145 4.651 2.996 14.152 1.00 0.00 C ATOM 222 NZ LYS A 145 4.596 3.740 15.422 1.00 0.00 N ATOM 0 H LYS A 145 5.259 -1.647 12.298 1.00 0.00 H new ATOM 0 HA LYS A 145 3.173 -0.301 10.757 1.00 0.00 H new ATOM 0 HB2 LYS A 145 3.855 1.647 11.904 1.00 0.00 H new ATOM 0 HB3 LYS A 145 3.460 0.335 12.997 1.00 0.00 H new ATOM 0 HG2 LYS A 145 6.001 -0.076 13.192 1.00 0.00 H new ATOM 0 HG3 LYS A 145 6.212 1.458 12.372 1.00 0.00 H new ATOM 0 HD2 LYS A 145 4.713 1.014 14.998 1.00 0.00 H new ATOM 0 HD3 LYS A 145 6.287 1.765 14.826 1.00 0.00 H new ATOM 0 HE2 LYS A 145 5.200 3.577 13.411 1.00 0.00 H new ATOM 0 HE3 LYS A 145 3.642 2.858 13.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 4.136 4.660 15.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 4.051 3.195 16.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 5.561 3.891 15.778 1.00 0.00 H new ATOM 236 N HIS A 146 4.715 -0.441 8.715 1.00 0.00 N ATOM 237 CA HIS A 146 5.489 -0.190 7.512 1.00 0.00 C ATOM 238 C HIS A 146 5.250 1.254 7.109 1.00 0.00 C ATOM 239 O HIS A 146 4.111 1.716 7.041 1.00 0.00 O ATOM 240 CB HIS A 146 5.092 -1.124 6.358 1.00 0.00 C ATOM 241 CG HIS A 146 4.998 -2.583 6.722 1.00 0.00 C ATOM 242 ND1 HIS A 146 4.164 -3.516 6.157 1.00 0.00 N ATOM 243 CD2 HIS A 146 5.669 -3.203 7.736 1.00 0.00 C ATOM 244 CE1 HIS A 146 4.354 -4.664 6.821 1.00 0.00 C ATOM 245 NE2 HIS A 146 5.265 -4.538 7.796 1.00 0.00 N ATOM 0 H HIS A 146 3.913 -1.058 8.583 1.00 0.00 H new ATOM 0 HA HIS A 146 6.542 -0.379 7.721 1.00 0.00 H new ATOM 0 HB2 HIS A 146 4.128 -0.801 5.964 1.00 0.00 H new ATOM 0 HB3 HIS A 146 5.819 -1.012 5.554 1.00 0.00 H new ATOM 0 HD2 HIS A 146 6.394 -2.737 8.386 1.00 0.00 H new ATOM 0 HE1 HIS A 146 3.834 -5.584 6.597 1.00 0.00 H new ATOM 0 HE2 HIS A 146 5.591 -5.259 8.440 1.00 0.00 H new ATOM 253 N TYR A 147 6.347 1.978 6.894 1.00 0.00 N ATOM 254 CA TYR A 147 6.307 3.383 6.533 1.00 0.00 C ATOM 255 C TYR A 147 5.492 4.168 7.570 1.00 0.00 C ATOM 256 O TYR A 147 4.797 5.123 7.230 1.00 0.00 O ATOM 257 CB TYR A 147 5.792 3.517 5.092 1.00 0.00 C ATOM 258 CG TYR A 147 6.380 2.474 4.157 1.00 0.00 C ATOM 259 CD1 TYR A 147 7.771 2.448 3.947 1.00 0.00 C ATOM 260 CD2 TYR A 147 5.597 1.376 3.751 1.00 0.00 C ATOM 261 CE1 TYR A 147 8.380 1.313 3.387 1.00 0.00 C ATOM 262 CE2 TYR A 147 6.200 0.265 3.136 1.00 0.00 C ATOM 263 CZ TYR A 147 7.592 0.236 2.953 1.00 0.00 C ATOM 264 OH TYR A 147 8.195 -0.851 2.398 1.00 0.00 O ATOM 0 H TYR A 147 7.291 1.599 6.967 1.00 0.00 H new ATOM 0 HA TYR A 147 7.304 3.822 6.549 1.00 0.00 H new ATOM 0 HB2 TYR A 147 4.706 3.429 5.090 1.00 0.00 H new ATOM 0 HB3 TYR A 147 6.032 4.512 4.716 1.00 0.00 H new ATOM 0 HD1 TYR A 147 8.372 3.303 4.217 1.00 0.00 H new ATOM 0 HD2 TYR A 147 4.529 1.388 3.913 1.00 0.00 H new ATOM 0 HE1 TYR A 147 9.455 1.269 3.290 1.00 0.00 H new ATOM 0 HE2 TYR A 147 5.594 -0.565 2.805 1.00 0.00 H new ATOM 0 HH TYR A 147 7.520 -1.414 1.965 1.00 0.00 H new ATOM 274 N GLY A 148 5.590 3.743 8.838 1.00 0.00 N ATOM 275 CA GLY A 148 4.935 4.369 9.973 1.00 0.00 C ATOM 276 C GLY A 148 3.464 3.994 10.153 1.00 0.00 C ATOM 277 O GLY A 148 2.826 4.559 11.038 1.00 0.00 O ATOM 0 H GLY A 148 6.146 2.929 9.099 1.00 0.00 H new ATOM 0 HA2 GLY A 148 5.477 4.101 10.880 1.00 0.00 H new ATOM 0 HA3 GLY A 148 5.009 5.451 9.865 1.00 0.00 H new ATOM 281 N VAL A 149 2.907 3.072 9.356 1.00 0.00 N ATOM 282 CA VAL A 149 1.496 2.700 9.452 1.00 0.00 C ATOM 283 C VAL A 149 1.356 1.174 9.502 1.00 0.00 C ATOM 284 O VAL A 149 1.990 0.474 8.714 1.00 0.00 O ATOM 285 CB VAL A 149 0.742 3.315 8.260 1.00 0.00 C ATOM 286 CG1 VAL A 149 -0.739 2.935 8.280 1.00 0.00 C ATOM 287 CG2 VAL A 149 0.864 4.845 8.229 1.00 0.00 C ATOM 0 H VAL A 149 3.421 2.568 8.633 1.00 0.00 H new ATOM 0 HA VAL A 149 1.059 3.089 10.372 1.00 0.00 H new ATOM 0 HB VAL A 149 1.208 2.908 7.363 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -1.242 3.386 7.424 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.837 1.851 8.229 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -1.195 3.297 9.201 1.00 0.00 H new ATOM 0 HG21 VAL A 149 0.317 5.236 7.371 1.00 0.00 H new ATOM 0 HG22 VAL A 149 0.448 5.262 9.146 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.914 5.125 8.147 1.00 0.00 H new ATOM 297 N TYR A 150 0.531 0.657 10.425 1.00 0.00 N ATOM 298 CA TYR A 150 0.271 -0.774 10.594 1.00 0.00 C ATOM 299 C TYR A 150 -0.052 -1.395 9.236 1.00 0.00 C ATOM 300 O TYR A 150 -0.999 -0.972 8.567 1.00 0.00 O ATOM 301 CB TYR A 150 -0.843 -0.983 11.625 1.00 0.00 C ATOM 302 CG TYR A 150 -0.493 -0.423 12.990 1.00 0.00 C ATOM 303 CD1 TYR A 150 0.610 -0.936 13.698 1.00 0.00 C ATOM 304 CD2 TYR A 150 -1.168 0.709 13.483 1.00 0.00 C ATOM 305 CE1 TYR A 150 1.089 -0.269 14.836 1.00 0.00 C ATOM 306 CE2 TYR A 150 -0.743 1.320 14.676 1.00 0.00 C ATOM 307 CZ TYR A 150 0.384 0.830 15.353 1.00 0.00 C ATOM 308 OH TYR A 150 0.760 1.386 16.539 1.00 0.00 O ATOM 0 H TYR A 150 0.017 1.238 11.087 1.00 0.00 H new ATOM 0 HA TYR A 150 1.156 -1.280 10.980 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -1.757 -0.509 11.267 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -1.051 -2.049 11.717 1.00 0.00 H new ATOM 0 HD1 TYR A 150 1.089 -1.845 13.365 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -2.014 1.109 12.944 1.00 0.00 H new ATOM 0 HE1 TYR A 150 1.999 -0.601 15.314 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -1.284 2.167 15.071 1.00 0.00 H new ATOM 0 HH TYR A 150 0.167 2.137 16.751 1.00 0.00 H new ATOM 318 N SER A 151 0.801 -2.324 8.792 1.00 0.00 N ATOM 319 CA SER A 151 0.745 -2.873 7.454 1.00 0.00 C ATOM 320 C SER A 151 1.193 -4.339 7.428 1.00 0.00 C ATOM 321 O SER A 151 1.872 -4.808 8.344 1.00 0.00 O ATOM 322 CB SER A 151 1.618 -1.949 6.605 1.00 0.00 C ATOM 323 OG SER A 151 1.786 -2.406 5.275 1.00 0.00 O ATOM 0 H SER A 151 1.551 -2.712 9.364 1.00 0.00 H new ATOM 0 HA SER A 151 -0.270 -2.904 7.058 1.00 0.00 H new ATOM 0 HB2 SER A 151 1.172 -0.954 6.587 1.00 0.00 H new ATOM 0 HB3 SER A 151 2.597 -1.851 7.075 1.00 0.00 H new ATOM 0 HG SER A 151 2.628 -2.902 5.203 1.00 0.00 H new ATOM 329 N CYS A 152 0.801 -5.056 6.367 1.00 0.00 N ATOM 330 CA CYS A 152 1.085 -6.472 6.142 1.00 0.00 C ATOM 331 C CYS A 152 2.171 -6.669 5.081 1.00 0.00 C ATOM 332 O CYS A 152 2.522 -5.742 4.352 1.00 0.00 O ATOM 333 CB CYS A 152 -0.200 -7.206 5.747 1.00 0.00 C ATOM 334 SG CYS A 152 -0.931 -6.700 4.169 1.00 0.00 S ATOM 0 H CYS A 152 0.254 -4.644 5.611 1.00 0.00 H new ATOM 0 HA CYS A 152 1.463 -6.894 7.073 1.00 0.00 H new ATOM 0 HB2 CYS A 152 0.011 -8.275 5.704 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -0.939 -7.058 6.534 1.00 0.00 H new ATOM 0 HG CYS A 152 -1.514 -5.547 4.311 1.00 0.00 H new ATOM 339 N GLU A 153 2.712 -7.886 5.019 1.00 0.00 N ATOM 340 CA GLU A 153 3.806 -8.303 4.152 1.00 0.00 C ATOM 341 C GLU A 153 3.600 -7.888 2.690 1.00 0.00 C ATOM 342 O GLU A 153 4.496 -7.322 2.066 1.00 0.00 O ATOM 343 CB GLU A 153 4.020 -9.823 4.272 1.00 0.00 C ATOM 344 CG GLU A 153 4.338 -10.301 5.705 1.00 0.00 C ATOM 345 CD GLU A 153 3.119 -10.622 6.576 1.00 0.00 C ATOM 346 OE1 GLU A 153 1.996 -10.248 6.176 1.00 0.00 O ATOM 347 OE2 GLU A 153 3.331 -11.233 7.647 1.00 0.00 O ATOM 0 H GLU A 153 2.377 -8.648 5.608 1.00 0.00 H new ATOM 0 HA GLU A 153 4.704 -7.785 4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 153 3.124 -10.335 3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 153 4.836 -10.118 3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 153 4.963 -11.192 5.642 1.00 0.00 H new ATOM 0 HG3 GLU A 153 4.928 -9.532 6.204 1.00 0.00 H new ATOM 354 N GLY A 154 2.419 -8.172 2.135 1.00 0.00 N ATOM 355 CA GLY A 154 2.113 -7.814 0.755 1.00 0.00 C ATOM 356 C GLY A 154 2.319 -6.315 0.543 1.00 0.00 C ATOM 357 O GLY A 154 3.059 -5.892 -0.345 1.00 0.00 O ATOM 0 H GLY A 154 1.661 -8.649 2.624 1.00 0.00 H new ATOM 0 HA2 GLY A 154 2.753 -8.377 0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 154 1.083 -8.084 0.521 1.00 0.00 H new ATOM 361 N CYS A 155 1.682 -5.517 1.402 1.00 0.00 N ATOM 362 CA CYS A 155 1.763 -4.069 1.374 1.00 0.00 C ATOM 363 C CYS A 155 3.200 -3.579 1.576 1.00 0.00 C ATOM 364 O CYS A 155 3.624 -2.682 0.848 1.00 0.00 O ATOM 365 CB CYS A 155 0.778 -3.494 2.391 1.00 0.00 C ATOM 366 SG CYS A 155 -0.958 -3.713 1.905 1.00 0.00 S ATOM 0 H CYS A 155 1.085 -5.874 2.149 1.00 0.00 H new ATOM 0 HA CYS A 155 1.476 -3.704 0.388 1.00 0.00 H new ATOM 0 HB2 CYS A 155 0.942 -3.972 3.357 1.00 0.00 H new ATOM 0 HB3 CYS A 155 0.981 -2.431 2.523 1.00 0.00 H new ATOM 0 HG CYS A 155 -1.715 -3.653 2.960 1.00 0.00 H new ATOM 371 N LYS A 156 3.944 -4.164 2.529 1.00 0.00 N ATOM 372 CA LYS A 156 5.348 -3.835 2.795 1.00 0.00 C ATOM 373 C LYS A 156 6.102 -3.755 1.467 1.00 0.00 C ATOM 374 O LYS A 156 6.597 -2.694 1.081 1.00 0.00 O ATOM 375 CB LYS A 156 6.030 -4.900 3.682 1.00 0.00 C ATOM 376 CG LYS A 156 7.532 -4.673 3.928 1.00 0.00 C ATOM 377 CD LYS A 156 7.839 -3.372 4.677 1.00 0.00 C ATOM 378 CE LYS A 156 9.351 -3.138 4.752 1.00 0.00 C ATOM 379 NZ LYS A 156 9.659 -1.831 5.358 1.00 0.00 N ATOM 0 H LYS A 156 3.578 -4.890 3.145 1.00 0.00 H new ATOM 0 HA LYS A 156 5.373 -2.881 3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 156 5.520 -4.931 4.645 1.00 0.00 H new ATOM 0 HB3 LYS A 156 5.896 -5.878 3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 156 7.930 -5.513 4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 156 8.051 -4.663 2.970 1.00 0.00 H new ATOM 0 HD2 LYS A 156 7.360 -2.533 4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 156 7.422 -3.418 5.683 1.00 0.00 H new ATOM 0 HE2 LYS A 156 9.816 -3.932 5.337 1.00 0.00 H new ATOM 0 HE3 LYS A 156 9.779 -3.188 3.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 10.690 -1.700 5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 9.235 -1.074 4.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 9.270 -1.795 6.322 1.00 0.00 H new ATOM 393 N GLY A 157 6.189 -4.909 0.797 1.00 0.00 N ATOM 394 CA GLY A 157 6.916 -5.073 -0.447 1.00 0.00 C ATOM 395 C GLY A 157 6.302 -4.253 -1.572 1.00 0.00 C ATOM 396 O GLY A 157 7.009 -3.524 -2.260 1.00 0.00 O ATOM 0 H GLY A 157 5.743 -5.768 1.119 1.00 0.00 H new ATOM 0 HA2 GLY A 157 7.954 -4.773 -0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 157 6.924 -6.126 -0.727 1.00 0.00 H new ATOM 400 N PHE A 158 4.989 -4.383 -1.769 1.00 0.00 N ATOM 401 CA PHE A 158 4.268 -3.690 -2.825 1.00 0.00 C ATOM 402 C PHE A 158 4.536 -2.184 -2.810 1.00 0.00 C ATOM 403 O PHE A 158 4.914 -1.601 -3.830 1.00 0.00 O ATOM 404 CB PHE A 158 2.771 -3.970 -2.684 1.00 0.00 C ATOM 405 CG PHE A 158 1.916 -3.102 -3.579 1.00 0.00 C ATOM 406 CD1 PHE A 158 2.162 -3.080 -4.963 1.00 0.00 C ATOM 407 CD2 PHE A 158 0.940 -2.252 -3.025 1.00 0.00 C ATOM 408 CE1 PHE A 158 1.509 -2.144 -5.774 1.00 0.00 C ATOM 409 CE2 PHE A 158 0.256 -1.346 -3.850 1.00 0.00 C ATOM 410 CZ PHE A 158 0.581 -1.254 -5.211 1.00 0.00 C ATOM 0 H PHE A 158 4.396 -4.979 -1.192 1.00 0.00 H new ATOM 0 HA PHE A 158 4.624 -4.066 -3.784 1.00 0.00 H new ATOM 0 HB2 PHE A 158 2.581 -5.018 -2.916 1.00 0.00 H new ATOM 0 HB3 PHE A 158 2.475 -3.814 -1.647 1.00 0.00 H new ATOM 0 HD1 PHE A 158 2.854 -3.784 -5.400 1.00 0.00 H new ATOM 0 HD2 PHE A 158 0.718 -2.297 -1.969 1.00 0.00 H new ATOM 0 HE1 PHE A 158 1.719 -2.107 -6.833 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -0.521 -0.720 -3.437 1.00 0.00 H new ATOM 0 HZ PHE A 158 0.117 -0.498 -5.827 1.00 0.00 H new ATOM 420 N PHE A 159 4.333 -1.549 -1.655 1.00 0.00 N ATOM 421 CA PHE A 159 4.551 -0.120 -1.528 1.00 0.00 C ATOM 422 C PHE A 159 6.015 0.191 -1.838 1.00 0.00 C ATOM 423 O PHE A 159 6.295 1.087 -2.631 1.00 0.00 O ATOM 424 CB PHE A 159 4.130 0.357 -0.136 1.00 0.00 C ATOM 425 CG PHE A 159 4.149 1.865 0.037 1.00 0.00 C ATOM 426 CD1 PHE A 159 3.073 2.646 -0.429 1.00 0.00 C ATOM 427 CD2 PHE A 159 5.215 2.485 0.710 1.00 0.00 C ATOM 428 CE1 PHE A 159 3.043 4.029 -0.172 1.00 0.00 C ATOM 429 CE2 PHE A 159 5.140 3.846 1.049 1.00 0.00 C ATOM 430 CZ PHE A 159 4.062 4.624 0.594 1.00 0.00 C ATOM 0 H PHE A 159 4.019 -2.007 -0.799 1.00 0.00 H new ATOM 0 HA PHE A 159 3.935 0.423 -2.244 1.00 0.00 H new ATOM 0 HB2 PHE A 159 3.125 -0.009 0.072 1.00 0.00 H new ATOM 0 HB3 PHE A 159 4.792 -0.091 0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 159 2.271 2.183 -0.984 1.00 0.00 H new ATOM 0 HD2 PHE A 159 6.095 1.914 0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 159 2.238 4.634 -0.563 1.00 0.00 H new ATOM 0 HE2 PHE A 159 5.910 4.294 1.659 1.00 0.00 H new ATOM 0 HZ PHE A 159 4.016 5.676 0.832 1.00 0.00 H new ATOM 440 N LYS A 160 6.947 -0.570 -1.247 1.00 0.00 N ATOM 441 CA LYS A 160 8.370 -0.371 -1.489 1.00 0.00 C ATOM 442 C LYS A 160 8.670 -0.385 -2.992 1.00 0.00 C ATOM 443 O LYS A 160 9.237 0.569 -3.515 1.00 0.00 O ATOM 444 CB LYS A 160 9.209 -1.414 -0.727 1.00 0.00 C ATOM 445 CG LYS A 160 10.486 -0.791 -0.150 1.00 0.00 C ATOM 446 CD LYS A 160 11.241 -1.728 0.800 1.00 0.00 C ATOM 447 CE LYS A 160 11.719 -3.000 0.094 1.00 0.00 C ATOM 448 NZ LYS A 160 12.667 -3.756 0.933 1.00 0.00 N ATOM 0 H LYS A 160 6.734 -1.328 -0.599 1.00 0.00 H new ATOM 0 HA LYS A 160 8.652 0.610 -1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 160 8.614 -1.842 0.080 1.00 0.00 H new ATOM 0 HB3 LYS A 160 9.472 -2.232 -1.398 1.00 0.00 H new ATOM 0 HG2 LYS A 160 11.146 -0.507 -0.970 1.00 0.00 H new ATOM 0 HG3 LYS A 160 10.227 0.124 0.383 1.00 0.00 H new ATOM 0 HD2 LYS A 160 12.099 -1.203 1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 160 10.593 -1.998 1.633 1.00 0.00 H new ATOM 0 HE2 LYS A 160 10.862 -3.629 -0.146 1.00 0.00 H new ATOM 0 HE3 LYS A 160 12.196 -2.737 -0.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 12.972 -4.612 0.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 13.496 -3.163 1.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 12.203 -4.027 1.823 1.00 0.00 H new ATOM 462 N ARG A 161 8.263 -1.450 -3.688 1.00 0.00 N ATOM 463 CA ARG A 161 8.432 -1.597 -5.125 1.00 0.00 C ATOM 464 C ARG A 161 7.894 -0.360 -5.844 1.00 0.00 C ATOM 465 O ARG A 161 8.623 0.320 -6.565 1.00 0.00 O ATOM 466 CB ARG A 161 7.646 -2.820 -5.610 1.00 0.00 C ATOM 467 CG ARG A 161 8.274 -4.181 -5.284 1.00 0.00 C ATOM 468 CD ARG A 161 7.208 -5.282 -5.416 1.00 0.00 C ATOM 469 NE ARG A 161 6.381 -5.091 -6.620 1.00 0.00 N ATOM 470 CZ ARG A 161 5.059 -5.307 -6.710 1.00 0.00 C ATOM 471 NH1 ARG A 161 4.415 -6.022 -5.781 1.00 0.00 N ATOM 472 NH2 ARG A 161 4.378 -4.793 -7.740 1.00 0.00 N ATOM 0 H ARG A 161 7.798 -2.247 -3.254 1.00 0.00 H new ATOM 0 HA ARG A 161 9.493 -1.718 -5.343 1.00 0.00 H new ATOM 0 HB2 ARG A 161 6.648 -2.786 -5.172 1.00 0.00 H new ATOM 0 HB3 ARG A 161 7.523 -2.746 -6.690 1.00 0.00 H new ATOM 0 HG2 ARG A 161 9.105 -4.381 -5.960 1.00 0.00 H new ATOM 0 HG3 ARG A 161 8.681 -4.173 -4.273 1.00 0.00 H new ATOM 0 HD2 ARG A 161 7.694 -6.257 -5.458 1.00 0.00 H new ATOM 0 HD3 ARG A 161 6.571 -5.281 -4.532 1.00 0.00 H new ATOM 0 HE ARG A 161 6.856 -4.765 -7.462 1.00 0.00 H new ATOM 0 HH11 ARG A 161 4.929 -6.412 -4.991 1.00 0.00 H new ATOM 0 HH12 ARG A 161 3.410 -6.178 -5.863 1.00 0.00 H new ATOM 0 HH21 ARG A 161 4.863 -4.242 -8.448 1.00 0.00 H new ATOM 0 HH22 ARG A 161 3.373 -4.952 -7.817 1.00 0.00 H new ATOM 486 N THR A 162 6.599 -0.097 -5.648 1.00 0.00 N ATOM 487 CA THR A 162 5.892 0.998 -6.285 1.00 0.00 C ATOM 488 C THR A 162 6.638 2.318 -6.129 1.00 0.00 C ATOM 489 O THR A 162 6.868 3.014 -7.114 1.00 0.00 O ATOM 490 CB THR A 162 4.473 1.090 -5.714 1.00 0.00 C ATOM 491 OG1 THR A 162 3.826 -0.151 -5.910 1.00 0.00 O ATOM 492 CG2 THR A 162 3.670 2.187 -6.414 1.00 0.00 C ATOM 0 H THR A 162 6.009 -0.654 -5.030 1.00 0.00 H new ATOM 0 HA THR A 162 5.833 0.798 -7.355 1.00 0.00 H new ATOM 0 HB THR A 162 4.535 1.332 -4.653 1.00 0.00 H new ATOM 0 HG1 THR A 162 4.061 -0.761 -5.180 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.667 2.231 -5.990 1.00 0.00 H new ATOM 0 HG22 THR A 162 4.166 3.147 -6.273 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.604 1.966 -7.479 1.00 0.00 H new ATOM 500 N VAL A 163 6.995 2.669 -4.896 1.00 0.00 N ATOM 501 CA VAL A 163 7.670 3.919 -4.599 1.00 0.00 C ATOM 502 C VAL A 163 9.075 3.937 -5.204 1.00 0.00 C ATOM 503 O VAL A 163 9.428 4.904 -5.875 1.00 0.00 O ATOM 504 CB VAL A 163 7.674 4.126 -3.083 1.00 0.00 C ATOM 505 CG1 VAL A 163 8.535 5.330 -2.684 1.00 0.00 C ATOM 506 CG2 VAL A 163 6.249 4.321 -2.552 1.00 0.00 C ATOM 0 H VAL A 163 6.821 2.089 -4.075 1.00 0.00 H new ATOM 0 HA VAL A 163 7.137 4.753 -5.055 1.00 0.00 H new ATOM 0 HB VAL A 163 8.102 3.227 -2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 163 8.516 5.448 -1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 163 9.561 5.168 -3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 163 8.141 6.231 -3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 163 6.280 4.466 -1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 163 5.802 5.196 -3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 163 5.651 3.439 -2.783 1.00 0.00 H new ATOM 516 N ARG A 164 9.878 2.889 -4.987 1.00 0.00 N ATOM 517 CA ARG A 164 11.236 2.829 -5.530 1.00 0.00 C ATOM 518 C ARG A 164 11.244 3.014 -7.042 1.00 0.00 C ATOM 519 O ARG A 164 12.087 3.743 -7.567 1.00 0.00 O ATOM 520 CB ARG A 164 11.960 1.527 -5.149 1.00 0.00 C ATOM 521 CG ARG A 164 12.363 1.595 -3.678 1.00 0.00 C ATOM 522 CD ARG A 164 13.281 0.468 -3.214 1.00 0.00 C ATOM 523 NE ARG A 164 13.608 0.686 -1.800 1.00 0.00 N ATOM 524 CZ ARG A 164 14.126 -0.219 -0.965 1.00 0.00 C ATOM 525 NH1 ARG A 164 14.537 -1.412 -1.404 1.00 0.00 N ATOM 526 NH2 ARG A 164 14.218 0.090 0.329 1.00 0.00 N ATOM 0 H ARG A 164 9.609 2.072 -4.439 1.00 0.00 H new ATOM 0 HA ARG A 164 11.782 3.657 -5.078 1.00 0.00 H new ATOM 0 HB2 ARG A 164 11.309 0.670 -5.322 1.00 0.00 H new ATOM 0 HB3 ARG A 164 12.842 1.389 -5.775 1.00 0.00 H new ATOM 0 HG2 ARG A 164 12.860 2.548 -3.495 1.00 0.00 H new ATOM 0 HG3 ARG A 164 11.460 1.584 -3.067 1.00 0.00 H new ATOM 0 HD2 ARG A 164 12.792 -0.497 -3.345 1.00 0.00 H new ATOM 0 HD3 ARG A 164 14.190 0.449 -3.815 1.00 0.00 H new ATOM 0 HE ARG A 164 13.423 1.614 -1.420 1.00 0.00 H new ATOM 0 HH11 ARG A 164 14.458 -1.646 -2.394 1.00 0.00 H new ATOM 0 HH12 ARG A 164 14.930 -2.089 -0.750 1.00 0.00 H new ATOM 0 HH21 ARG A 164 13.897 1.000 0.660 1.00 0.00 H new ATOM 0 HH22 ARG A 164 14.610 -0.583 0.988 1.00 0.00 H new ATOM 540 N LYS A 165 10.316 2.345 -7.723 1.00 0.00 N ATOM 541 CA LYS A 165 10.152 2.437 -9.166 1.00 0.00 C ATOM 542 C LYS A 165 9.480 3.767 -9.543 1.00 0.00 C ATOM 543 O LYS A 165 9.664 4.261 -10.652 1.00 0.00 O ATOM 544 CB LYS A 165 9.288 1.264 -9.637 1.00 0.00 C ATOM 545 CG LYS A 165 9.915 -0.116 -9.398 1.00 0.00 C ATOM 546 CD LYS A 165 10.809 -0.512 -10.578 1.00 0.00 C ATOM 547 CE LYS A 165 11.449 -1.881 -10.328 1.00 0.00 C ATOM 548 NZ LYS A 165 12.300 -2.288 -11.460 1.00 0.00 N ATOM 0 H LYS A 165 9.648 1.715 -7.278 1.00 0.00 H new ATOM 0 HA LYS A 165 11.129 2.398 -9.648 1.00 0.00 H new ATOM 0 HB2 LYS A 165 8.327 1.307 -9.125 1.00 0.00 H new ATOM 0 HB3 LYS A 165 9.088 1.380 -10.702 1.00 0.00 H new ATOM 0 HG2 LYS A 165 10.501 -0.101 -8.479 1.00 0.00 H new ATOM 0 HG3 LYS A 165 9.130 -0.860 -9.263 1.00 0.00 H new ATOM 0 HD2 LYS A 165 10.220 -0.541 -11.495 1.00 0.00 H new ATOM 0 HD3 LYS A 165 11.586 0.239 -10.722 1.00 0.00 H new ATOM 0 HE2 LYS A 165 12.045 -1.845 -9.416 1.00 0.00 H new ATOM 0 HE3 LYS A 165 10.669 -2.626 -10.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 12.720 -3.219 -11.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 11.724 -2.345 -12.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 13.058 -1.588 -11.594 1.00 0.00 H new ATOM 562 N ASP A 166 8.671 4.309 -8.628 1.00 0.00 N ATOM 563 CA ASP A 166 7.867 5.514 -8.753 1.00 0.00 C ATOM 564 C ASP A 166 6.753 5.282 -9.772 1.00 0.00 C ATOM 565 O ASP A 166 6.553 6.064 -10.697 1.00 0.00 O ATOM 566 CB ASP A 166 8.731 6.751 -9.029 1.00 0.00 C ATOM 567 CG ASP A 166 7.941 8.042 -8.843 1.00 0.00 C ATOM 568 OD1 ASP A 166 7.307 8.169 -7.771 1.00 0.00 O ATOM 569 OD2 ASP A 166 8.002 8.892 -9.757 1.00 0.00 O ATOM 0 H ASP A 166 8.557 3.877 -7.711 1.00 0.00 H new ATOM 0 HA ASP A 166 7.383 5.732 -7.801 1.00 0.00 H new ATOM 0 HB2 ASP A 166 9.591 6.751 -8.360 1.00 0.00 H new ATOM 0 HB3 ASP A 166 9.119 6.705 -10.047 1.00 0.00 H new ATOM 574 N LEU A 167 6.038 4.170 -9.587 1.00 0.00 N ATOM 575 CA LEU A 167 4.967 3.728 -10.468 1.00 0.00 C ATOM 576 C LEU A 167 3.602 4.280 -10.058 1.00 0.00 C ATOM 577 O LEU A 167 3.416 4.831 -8.969 1.00 0.00 O ATOM 578 CB LEU A 167 4.938 2.190 -10.505 1.00 0.00 C ATOM 579 CG LEU A 167 6.155 1.602 -11.234 1.00 0.00 C ATOM 580 CD1 LEU A 167 6.339 0.130 -10.845 1.00 0.00 C ATOM 581 CD2 LEU A 167 6.011 1.704 -12.757 1.00 0.00 C ATOM 0 H LEU A 167 6.195 3.540 -8.800 1.00 0.00 H new ATOM 0 HA LEU A 167 5.173 4.120 -11.464 1.00 0.00 H new ATOM 0 HB2 LEU A 167 4.907 1.805 -9.486 1.00 0.00 H new ATOM 0 HB3 LEU A 167 4.025 1.858 -11.000 1.00 0.00 H new ATOM 0 HG LEU A 167 7.027 2.183 -10.933 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.204 -0.279 -11.367 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.495 0.055 -9.769 1.00 0.00 H new ATOM 0 HD13 LEU A 167 5.448 -0.434 -11.123 1.00 0.00 H new ATOM 0 HD21 LEU A 167 6.893 1.277 -13.235 1.00 0.00 H new ATOM 0 HD22 LEU A 167 5.124 1.157 -13.076 1.00 0.00 H new ATOM 0 HD23 LEU A 167 5.914 2.751 -13.044 1.00 0.00 H new ATOM 593 N THR A 168 2.645 4.074 -10.963 1.00 0.00 N ATOM 594 CA THR A 168 1.235 4.405 -10.889 1.00 0.00 C ATOM 595 C THR A 168 0.516 3.213 -11.525 1.00 0.00 C ATOM 596 O THR A 168 1.119 2.522 -12.346 1.00 0.00 O ATOM 597 CB THR A 168 0.967 5.700 -11.671 1.00 0.00 C ATOM 598 OG1 THR A 168 1.600 5.652 -12.936 1.00 0.00 O ATOM 599 CG2 THR A 168 1.501 6.921 -10.917 1.00 0.00 C ATOM 0 H THR A 168 2.868 3.626 -11.852 1.00 0.00 H new ATOM 0 HA THR A 168 0.892 4.577 -9.869 1.00 0.00 H new ATOM 0 HB THR A 168 -0.113 5.788 -11.791 1.00 0.00 H new ATOM 0 HG1 THR A 168 1.419 6.483 -13.424 1.00 0.00 H new ATOM 0 HG21 THR A 168 1.297 7.823 -11.494 1.00 0.00 H new ATOM 0 HG22 THR A 168 1.010 6.993 -9.946 1.00 0.00 H new ATOM 0 HG23 THR A 168 2.576 6.818 -10.773 1.00 0.00 H new ATOM 607 N TYR A 169 -0.743 2.964 -11.159 1.00 0.00 N ATOM 608 CA TYR A 169 -1.512 1.833 -11.664 1.00 0.00 C ATOM 609 C TYR A 169 -2.955 2.264 -11.917 1.00 0.00 C ATOM 610 O TYR A 169 -3.289 3.447 -11.869 1.00 0.00 O ATOM 611 CB TYR A 169 -1.443 0.687 -10.642 1.00 0.00 C ATOM 612 CG TYR A 169 -0.062 0.343 -10.123 1.00 0.00 C ATOM 613 CD1 TYR A 169 0.853 -0.354 -10.934 1.00 0.00 C ATOM 614 CD2 TYR A 169 0.291 0.688 -8.806 1.00 0.00 C ATOM 615 CE1 TYR A 169 2.107 -0.726 -10.418 1.00 0.00 C ATOM 616 CE2 TYR A 169 1.525 0.278 -8.284 1.00 0.00 C ATOM 617 CZ TYR A 169 2.439 -0.421 -9.089 1.00 0.00 C ATOM 618 OH TYR A 169 3.627 -0.840 -8.571 1.00 0.00 O ATOM 0 H TYR A 169 -1.258 3.547 -10.499 1.00 0.00 H new ATOM 0 HA TYR A 169 -1.096 1.484 -12.609 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -2.075 0.946 -9.792 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -1.871 -0.206 -11.097 1.00 0.00 H new ATOM 0 HD1 TYR A 169 0.592 -0.603 -11.952 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -0.388 1.268 -8.198 1.00 0.00 H new ATOM 0 HE1 TYR A 169 2.815 -1.247 -11.045 1.00 0.00 H new ATOM 0 HE2 TYR A 169 1.775 0.501 -7.257 1.00 0.00 H new ATOM 0 HH TYR A 169 3.634 -0.687 -7.603 1.00 0.00 H new ATOM 628 N THR A 170 -3.819 1.288 -12.179 1.00 0.00 N ATOM 629 CA THR A 170 -5.248 1.459 -12.393 1.00 0.00 C ATOM 630 C THR A 170 -5.926 0.162 -11.932 1.00 0.00 C ATOM 631 O THR A 170 -5.248 -0.857 -11.798 1.00 0.00 O ATOM 632 CB THR A 170 -5.504 1.810 -13.868 1.00 0.00 C ATOM 633 OG1 THR A 170 -4.689 2.905 -14.243 1.00 0.00 O ATOM 634 CG2 THR A 170 -6.958 2.204 -14.141 1.00 0.00 C ATOM 0 H THR A 170 -3.527 0.313 -12.251 1.00 0.00 H new ATOM 0 HA THR A 170 -5.668 2.284 -11.818 1.00 0.00 H new ATOM 0 HB THR A 170 -5.272 0.914 -14.444 1.00 0.00 H new ATOM 0 HG1 THR A 170 -4.852 3.127 -15.184 1.00 0.00 H new ATOM 0 HG21 THR A 170 -7.078 2.441 -15.198 1.00 0.00 H new ATOM 0 HG22 THR A 170 -7.615 1.375 -13.878 1.00 0.00 H new ATOM 0 HG23 THR A 170 -7.217 3.077 -13.542 1.00 0.00 H new ATOM 642 N CYS A 171 -7.235 0.196 -11.666 1.00 0.00 N ATOM 643 CA CYS A 171 -8.033 -0.940 -11.214 1.00 0.00 C ATOM 644 C CYS A 171 -9.333 -0.954 -12.017 1.00 0.00 C ATOM 645 O CYS A 171 -9.748 0.085 -12.531 1.00 0.00 O ATOM 646 CB CYS A 171 -8.308 -0.790 -9.710 1.00 0.00 C ATOM 647 SG CYS A 171 -9.398 -2.027 -8.948 1.00 0.00 S ATOM 0 H CYS A 171 -7.786 1.049 -11.764 1.00 0.00 H new ATOM 0 HA CYS A 171 -7.508 -1.882 -11.370 1.00 0.00 H new ATOM 0 HB2 CYS A 171 -7.352 -0.811 -9.186 1.00 0.00 H new ATOM 0 HB3 CYS A 171 -8.742 0.195 -9.541 1.00 0.00 H new ATOM 0 HG CYS A 171 -8.901 -2.398 -7.806 1.00 0.00 H new ATOM 652 N ARG A 172 -9.984 -2.115 -12.130 1.00 0.00 N ATOM 653 CA ARG A 172 -11.253 -2.260 -12.838 1.00 0.00 C ATOM 654 C ARG A 172 -12.395 -1.914 -11.883 1.00 0.00 C ATOM 655 O ARG A 172 -13.303 -2.709 -11.659 1.00 0.00 O ATOM 656 CB ARG A 172 -11.368 -3.669 -13.443 1.00 0.00 C ATOM 657 CG ARG A 172 -10.192 -4.089 -14.348 1.00 0.00 C ATOM 658 CD ARG A 172 -10.022 -3.232 -15.612 1.00 0.00 C ATOM 659 NE ARG A 172 -9.562 -1.880 -15.277 1.00 0.00 N ATOM 660 CZ ARG A 172 -9.886 -0.765 -15.944 1.00 0.00 C ATOM 661 NH1 ARG A 172 -10.261 -0.829 -17.225 1.00 0.00 N ATOM 662 NH2 ARG A 172 -9.851 0.407 -15.302 1.00 0.00 N ATOM 0 H ARG A 172 -9.640 -2.987 -11.728 1.00 0.00 H new ATOM 0 HA ARG A 172 -11.308 -1.567 -13.678 1.00 0.00 H new ATOM 0 HB2 ARG A 172 -11.457 -4.390 -12.631 1.00 0.00 H new ATOM 0 HB3 ARG A 172 -12.290 -3.725 -14.022 1.00 0.00 H new ATOM 0 HG2 ARG A 172 -9.270 -4.045 -13.768 1.00 0.00 H new ATOM 0 HG3 ARG A 172 -10.332 -5.128 -14.645 1.00 0.00 H new ATOM 0 HD2 ARG A 172 -9.306 -3.707 -16.283 1.00 0.00 H new ATOM 0 HD3 ARG A 172 -10.970 -3.175 -16.146 1.00 0.00 H new ATOM 0 HE ARG A 172 -8.945 -1.781 -14.471 1.00 0.00 H new ATOM 0 HH11 ARG A 172 -10.302 -1.731 -17.700 1.00 0.00 H new ATOM 0 HH12 ARG A 172 -10.507 0.024 -17.728 1.00 0.00 H new ATOM 0 HH21 ARG A 172 -9.580 0.442 -14.319 1.00 0.00 H new ATOM 0 HH22 ARG A 172 -10.095 1.266 -15.795 1.00 0.00 H new ATOM 676 N ASP A 173 -12.330 -0.700 -11.335 1.00 0.00 N ATOM 677 CA ASP A 173 -13.275 -0.101 -10.406 1.00 0.00 C ATOM 678 C ASP A 173 -13.030 1.404 -10.484 1.00 0.00 C ATOM 679 O ASP A 173 -12.069 1.835 -11.124 1.00 0.00 O ATOM 680 CB ASP A 173 -13.017 -0.586 -8.971 1.00 0.00 C ATOM 681 CG ASP A 173 -13.448 -2.028 -8.727 1.00 0.00 C ATOM 682 OD1 ASP A 173 -14.670 -2.229 -8.556 1.00 0.00 O ATOM 683 OD2 ASP A 173 -12.548 -2.895 -8.676 1.00 0.00 O ATOM 0 H ASP A 173 -11.558 -0.068 -11.547 1.00 0.00 H new ATOM 0 HA ASP A 173 -14.300 -0.371 -10.662 1.00 0.00 H new ATOM 0 HB2 ASP A 173 -11.954 -0.491 -8.750 1.00 0.00 H new ATOM 0 HB3 ASP A 173 -13.547 0.065 -8.276 1.00 0.00 H new ATOM 688 N ASN A 174 -13.843 2.202 -9.791 1.00 0.00 N ATOM 689 CA ASN A 174 -13.614 3.632 -9.709 1.00 0.00 C ATOM 690 C ASN A 174 -12.517 3.837 -8.667 1.00 0.00 C ATOM 691 O ASN A 174 -12.092 2.890 -8.005 1.00 0.00 O ATOM 692 CB ASN A 174 -14.905 4.348 -9.284 1.00 0.00 C ATOM 693 CG ASN A 174 -16.003 4.314 -10.343 1.00 0.00 C ATOM 694 OD1 ASN A 174 -15.764 4.001 -11.504 1.00 0.00 O ATOM 695 ND2 ASN A 174 -17.229 4.646 -9.948 1.00 0.00 N ATOM 0 H ASN A 174 -14.664 1.876 -9.281 1.00 0.00 H new ATOM 0 HA ASN A 174 -13.315 4.044 -10.673 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -15.280 3.889 -8.369 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -14.673 5.386 -9.047 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -17.999 4.644 -10.618 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -17.400 4.902 -8.976 1.00 0.00 H new ATOM 702 N LYS A 175 -12.070 5.081 -8.486 1.00 0.00 N ATOM 703 CA LYS A 175 -11.061 5.383 -7.482 1.00 0.00 C ATOM 704 C LYS A 175 -11.529 4.921 -6.099 1.00 0.00 C ATOM 705 O LYS A 175 -10.736 4.402 -5.315 1.00 0.00 O ATOM 706 CB LYS A 175 -10.716 6.876 -7.498 1.00 0.00 C ATOM 707 CG LYS A 175 -10.093 7.284 -8.840 1.00 0.00 C ATOM 708 CD LYS A 175 -9.412 8.652 -8.713 1.00 0.00 C ATOM 709 CE LYS A 175 -8.877 9.160 -10.059 1.00 0.00 C ATOM 710 NZ LYS A 175 -7.944 8.206 -10.689 1.00 0.00 N ATOM 0 H LYS A 175 -12.391 5.888 -9.021 1.00 0.00 H new ATOM 0 HA LYS A 175 -10.149 4.835 -7.721 1.00 0.00 H new ATOM 0 HB2 LYS A 175 -11.617 7.463 -7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 175 -10.022 7.101 -6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 175 -9.366 6.535 -9.154 1.00 0.00 H new ATOM 0 HG3 LYS A 175 -10.863 7.323 -9.610 1.00 0.00 H new ATOM 0 HD2 LYS A 175 -10.123 9.374 -8.311 1.00 0.00 H new ATOM 0 HD3 LYS A 175 -8.590 8.582 -8.000 1.00 0.00 H new ATOM 0 HE2 LYS A 175 -9.713 9.345 -10.733 1.00 0.00 H new ATOM 0 HE3 LYS A 175 -8.371 10.114 -9.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 175 -7.271 8.724 -11.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 175 -7.424 7.690 -9.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 175 -8.479 7.530 -11.271 1.00 0.00 H new ATOM 724 N ASP A 176 -12.829 5.051 -5.821 1.00 0.00 N ATOM 725 CA ASP A 176 -13.448 4.619 -4.574 1.00 0.00 C ATOM 726 C ASP A 176 -13.716 3.113 -4.623 1.00 0.00 C ATOM 727 O ASP A 176 -14.846 2.661 -4.448 1.00 0.00 O ATOM 728 CB ASP A 176 -14.719 5.441 -4.297 1.00 0.00 C ATOM 729 CG ASP A 176 -15.772 5.327 -5.399 1.00 0.00 C ATOM 730 OD1 ASP A 176 -15.423 5.677 -6.549 1.00 0.00 O ATOM 731 OD2 ASP A 176 -16.908 4.919 -5.078 1.00 0.00 O ATOM 0 H ASP A 176 -13.492 5.469 -6.474 1.00 0.00 H new ATOM 0 HA ASP A 176 -12.769 4.800 -3.741 1.00 0.00 H new ATOM 0 HB2 ASP A 176 -15.155 5.113 -3.353 1.00 0.00 H new ATOM 0 HB3 ASP A 176 -14.445 6.489 -4.175 1.00 0.00 H new ATOM 736 N CYS A 177 -12.666 2.325 -4.862 1.00 0.00 N ATOM 737 CA CYS A 177 -12.776 0.877 -4.921 1.00 0.00 C ATOM 738 C CYS A 177 -13.056 0.330 -3.521 1.00 0.00 C ATOM 739 O CYS A 177 -12.505 0.813 -2.532 1.00 0.00 O ATOM 740 CB CYS A 177 -11.489 0.286 -5.494 1.00 0.00 C ATOM 741 SG CYS A 177 -11.488 -1.508 -5.772 1.00 0.00 S ATOM 0 H CYS A 177 -11.721 2.677 -5.019 1.00 0.00 H new ATOM 0 HA CYS A 177 -13.602 0.594 -5.574 1.00 0.00 H new ATOM 0 HB2 CYS A 177 -11.277 0.780 -6.442 1.00 0.00 H new ATOM 0 HB3 CYS A 177 -10.669 0.529 -4.818 1.00 0.00 H new ATOM 0 HG CYS A 177 -10.269 -1.955 -5.716 1.00 0.00 H new ATOM 746 N LEU A 178 -13.912 -0.691 -3.437 1.00 0.00 N ATOM 747 CA LEU A 178 -14.278 -1.309 -2.175 1.00 0.00 C ATOM 748 C LEU A 178 -13.103 -2.125 -1.630 1.00 0.00 C ATOM 749 O LEU A 178 -13.058 -3.342 -1.824 1.00 0.00 O ATOM 750 CB LEU A 178 -15.536 -2.173 -2.361 1.00 0.00 C ATOM 751 CG LEU A 178 -16.747 -1.409 -2.927 1.00 0.00 C ATOM 752 CD1 LEU A 178 -17.926 -2.378 -3.062 1.00 0.00 C ATOM 753 CD2 LEU A 178 -17.159 -0.230 -2.037 1.00 0.00 C ATOM 0 H LEU A 178 -14.368 -1.108 -4.248 1.00 0.00 H new ATOM 0 HA LEU A 178 -14.511 -0.536 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 178 -15.299 -3.002 -3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 178 -15.811 -2.607 -1.400 1.00 0.00 H new ATOM 0 HG LEU A 178 -16.463 -1.003 -3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 178 -18.790 -1.847 -3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 178 -17.654 -3.190 -3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 178 -18.174 -2.788 -2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 178 -18.017 0.277 -2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 178 -17.425 -0.598 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 178 -16.328 0.470 -1.953 1.00 0.00 H new ATOM 765 N ILE A 179 -12.154 -1.455 -0.967 1.00 0.00 N ATOM 766 CA ILE A 179 -10.998 -2.076 -0.333 1.00 0.00 C ATOM 767 C ILE A 179 -11.442 -2.755 0.965 1.00 0.00 C ATOM 768 O ILE A 179 -11.983 -2.106 1.855 1.00 0.00 O ATOM 769 CB ILE A 179 -9.857 -1.058 -0.129 1.00 0.00 C ATOM 770 CG1 ILE A 179 -9.129 -0.773 -1.457 1.00 0.00 C ATOM 771 CG2 ILE A 179 -8.851 -1.529 0.930 1.00 0.00 C ATOM 772 CD1 ILE A 179 -8.111 -1.857 -1.841 1.00 0.00 C ATOM 0 H ILE A 179 -12.174 -0.441 -0.857 1.00 0.00 H new ATOM 0 HA ILE A 179 -10.586 -2.846 -0.986 1.00 0.00 H new ATOM 0 HB ILE A 179 -10.315 -0.136 0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 179 -9.867 -0.679 -2.254 1.00 0.00 H new ATOM 0 HG13 ILE A 179 -8.616 0.186 -1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 179 -8.064 -0.783 1.042 1.00 0.00 H new ATOM 0 HG22 ILE A 179 -9.362 -1.663 1.883 1.00 0.00 H new ATOM 0 HG23 ILE A 179 -8.411 -2.476 0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 179 -7.636 -1.592 -2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 179 -7.352 -1.935 -1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 179 -8.621 -2.814 -1.947 1.00 0.00 H new ATOM 784 N ASP A 180 -11.185 -4.061 1.063 1.00 0.00 N ATOM 785 CA ASP A 180 -11.451 -4.932 2.199 1.00 0.00 C ATOM 786 C ASP A 180 -10.552 -6.152 1.997 1.00 0.00 C ATOM 787 O ASP A 180 -9.905 -6.254 0.953 1.00 0.00 O ATOM 788 CB ASP A 180 -12.919 -5.395 2.219 1.00 0.00 C ATOM 789 CG ASP A 180 -13.912 -4.282 2.533 1.00 0.00 C ATOM 790 OD1 ASP A 180 -13.915 -3.841 3.703 1.00 0.00 O ATOM 791 OD2 ASP A 180 -14.676 -3.926 1.608 1.00 0.00 O ATOM 0 H ASP A 180 -10.754 -4.570 0.291 1.00 0.00 H new ATOM 0 HA ASP A 180 -11.260 -4.410 3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 180 -13.167 -5.827 1.250 1.00 0.00 H new ATOM 0 HB3 ASP A 180 -13.030 -6.187 2.959 1.00 0.00 H new ATOM 921 N CYS A 187 -5.062 -5.737 -6.311 1.00 0.00 N ATOM 922 CA CYS A 187 -5.652 -4.404 -6.329 1.00 0.00 C ATOM 923 C CYS A 187 -4.622 -3.321 -5.963 1.00 0.00 C ATOM 924 O CYS A 187 -4.852 -2.464 -5.105 1.00 0.00 O ATOM 925 CB CYS A 187 -6.891 -4.435 -5.423 1.00 0.00 C ATOM 926 SG CYS A 187 -8.036 -3.058 -5.652 1.00 0.00 S ATOM 0 HA CYS A 187 -5.971 -4.128 -7.334 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -7.428 -5.367 -5.598 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -6.563 -4.446 -4.384 1.00 0.00 H new ATOM 0 HG CYS A 187 -8.925 -3.071 -4.704 1.00 0.00 H new ATOM 931 N GLN A 188 -3.481 -3.367 -6.656 1.00 0.00 N ATOM 932 CA GLN A 188 -2.332 -2.487 -6.492 1.00 0.00 C ATOM 933 C GLN A 188 -2.728 -1.014 -6.407 1.00 0.00 C ATOM 934 O GLN A 188 -2.445 -0.353 -5.409 1.00 0.00 O ATOM 935 CB GLN A 188 -1.352 -2.721 -7.654 1.00 0.00 C ATOM 936 CG GLN A 188 -0.673 -4.097 -7.552 1.00 0.00 C ATOM 937 CD GLN A 188 0.585 -4.195 -8.411 1.00 0.00 C ATOM 938 OE1 GLN A 188 1.623 -4.669 -7.955 1.00 0.00 O ATOM 939 NE2 GLN A 188 0.519 -3.735 -9.657 1.00 0.00 N ATOM 0 H GLN A 188 -3.331 -4.062 -7.388 1.00 0.00 H new ATOM 0 HA GLN A 188 -1.852 -2.730 -5.544 1.00 0.00 H new ATOM 0 HB2 GLN A 188 -1.886 -2.647 -8.602 1.00 0.00 H new ATOM 0 HB3 GLN A 188 -0.593 -1.939 -7.654 1.00 0.00 H new ATOM 0 HG2 GLN A 188 -0.415 -4.294 -6.512 1.00 0.00 H new ATOM 0 HG3 GLN A 188 -1.378 -4.870 -7.857 1.00 0.00 H new ATOM 0 HE21 GLN A 188 -0.355 -3.346 -10.012 1.00 0.00 H new ATOM 0 HE22 GLN A 188 1.342 -3.771 -10.258 1.00 0.00 H new ATOM 948 N TYR A 189 -3.355 -0.491 -7.463 1.00 0.00 N ATOM 949 CA TYR A 189 -3.725 0.915 -7.546 1.00 0.00 C ATOM 950 C TYR A 189 -4.418 1.413 -6.286 1.00 0.00 C ATOM 951 O TYR A 189 -4.027 2.413 -5.691 1.00 0.00 O ATOM 952 CB TYR A 189 -4.660 1.140 -8.740 1.00 0.00 C ATOM 953 CG TYR A 189 -5.093 2.585 -8.912 1.00 0.00 C ATOM 954 CD1 TYR A 189 -4.134 3.616 -8.935 1.00 0.00 C ATOM 955 CD2 TYR A 189 -6.463 2.912 -8.939 1.00 0.00 C ATOM 956 CE1 TYR A 189 -4.538 4.957 -9.038 1.00 0.00 C ATOM 957 CE2 TYR A 189 -6.865 4.256 -9.003 1.00 0.00 C ATOM 958 CZ TYR A 189 -5.903 5.278 -9.067 1.00 0.00 C ATOM 959 OH TYR A 189 -6.286 6.583 -8.993 1.00 0.00 O ATOM 0 H TYR A 189 -3.619 -1.036 -8.284 1.00 0.00 H new ATOM 0 HA TYR A 189 -2.799 1.476 -7.667 1.00 0.00 H new ATOM 0 HB2 TYR A 189 -4.159 0.809 -9.650 1.00 0.00 H new ATOM 0 HB3 TYR A 189 -5.546 0.516 -8.619 1.00 0.00 H new ATOM 0 HD1 TYR A 189 -3.083 3.374 -8.873 1.00 0.00 H new ATOM 0 HD2 TYR A 189 -7.205 2.128 -8.910 1.00 0.00 H new ATOM 0 HE1 TYR A 189 -3.798 5.741 -9.095 1.00 0.00 H new ATOM 0 HE2 TYR A 189 -7.916 4.505 -9.003 1.00 0.00 H new ATOM 0 HH TYR A 189 -6.778 6.733 -8.159 1.00 0.00 H new ATOM 969 N CYS A 190 -5.483 0.723 -5.901 1.00 0.00 N ATOM 970 CA CYS A 190 -6.294 1.123 -4.777 1.00 0.00 C ATOM 971 C CYS A 190 -5.523 0.967 -3.470 1.00 0.00 C ATOM 972 O CYS A 190 -5.593 1.856 -2.624 1.00 0.00 O ATOM 973 CB CYS A 190 -7.594 0.344 -4.844 1.00 0.00 C ATOM 974 SG CYS A 190 -8.435 0.556 -6.437 1.00 0.00 S ATOM 0 H CYS A 190 -5.802 -0.128 -6.364 1.00 0.00 H new ATOM 0 HA CYS A 190 -6.544 2.183 -4.817 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -7.391 -0.714 -4.680 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -8.254 0.670 -4.040 1.00 0.00 H new ATOM 0 HG CYS A 190 -8.562 -0.600 -7.018 1.00 0.00 H new ATOM 979 N ARG A 191 -4.749 -0.112 -3.307 1.00 0.00 N ATOM 980 CA ARG A 191 -3.914 -0.241 -2.118 1.00 0.00 C ATOM 981 C ARG A 191 -2.959 0.960 -2.024 1.00 0.00 C ATOM 982 O ARG A 191 -2.783 1.541 -0.954 1.00 0.00 O ATOM 983 CB ARG A 191 -3.135 -1.564 -2.121 1.00 0.00 C ATOM 984 CG ARG A 191 -4.027 -2.766 -1.788 1.00 0.00 C ATOM 985 CD ARG A 191 -3.164 -4.000 -1.500 1.00 0.00 C ATOM 986 NE ARG A 191 -4.003 -5.142 -1.112 1.00 0.00 N ATOM 987 CZ ARG A 191 -3.613 -6.188 -0.369 1.00 0.00 C ATOM 988 NH1 ARG A 191 -2.328 -6.375 -0.044 1.00 0.00 N ATOM 989 NH2 ARG A 191 -4.537 -7.060 0.044 1.00 0.00 N ATOM 0 H ARG A 191 -4.686 -0.887 -3.967 1.00 0.00 H new ATOM 0 HA ARG A 191 -4.560 -0.250 -1.240 1.00 0.00 H new ATOM 0 HB2 ARG A 191 -2.680 -1.713 -3.100 1.00 0.00 H new ATOM 0 HB3 ARG A 191 -2.322 -1.506 -1.397 1.00 0.00 H new ATOM 0 HG2 ARG A 191 -4.649 -2.538 -0.923 1.00 0.00 H new ATOM 0 HG3 ARG A 191 -4.701 -2.970 -2.620 1.00 0.00 H new ATOM 0 HD2 ARG A 191 -2.580 -4.256 -2.384 1.00 0.00 H new ATOM 0 HD3 ARG A 191 -2.455 -3.776 -0.703 1.00 0.00 H new ATOM 0 HE ARG A 191 -4.970 -5.139 -1.437 1.00 0.00 H new ATOM 0 HH11 ARG A 191 -1.620 -5.714 -0.363 1.00 0.00 H new ATOM 0 HH12 ARG A 191 -2.057 -7.179 0.522 1.00 0.00 H new ATOM 0 HH21 ARG A 191 -5.516 -6.923 -0.207 1.00 0.00 H new ATOM 0 HH22 ARG A 191 -4.263 -7.863 0.610 1.00 0.00 H new ATOM 1003 N TYR A 192 -2.356 1.344 -3.153 1.00 0.00 N ATOM 1004 CA TYR A 192 -1.454 2.484 -3.238 1.00 0.00 C ATOM 1005 C TYR A 192 -2.202 3.772 -2.873 1.00 0.00 C ATOM 1006 O TYR A 192 -1.743 4.517 -2.008 1.00 0.00 O ATOM 1007 CB TYR A 192 -0.816 2.505 -4.634 1.00 0.00 C ATOM 1008 CG TYR A 192 0.160 3.623 -4.945 1.00 0.00 C ATOM 1009 CD1 TYR A 192 1.257 3.877 -4.097 1.00 0.00 C ATOM 1010 CD2 TYR A 192 0.116 4.218 -6.220 1.00 0.00 C ATOM 1011 CE1 TYR A 192 2.313 4.698 -4.536 1.00 0.00 C ATOM 1012 CE2 TYR A 192 1.180 5.020 -6.663 1.00 0.00 C ATOM 1013 CZ TYR A 192 2.297 5.226 -5.839 1.00 0.00 C ATOM 1014 OH TYR A 192 3.429 5.775 -6.367 1.00 0.00 O ATOM 0 H TYR A 192 -2.486 0.862 -4.042 1.00 0.00 H new ATOM 0 HA TYR A 192 -0.641 2.401 -2.517 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -0.298 1.557 -4.781 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -1.619 2.547 -5.370 1.00 0.00 H new ATOM 0 HD1 TYR A 192 1.287 3.441 -3.109 1.00 0.00 H new ATOM 0 HD2 TYR A 192 -0.739 4.057 -6.860 1.00 0.00 H new ATOM 0 HE1 TYR A 192 3.135 4.922 -3.872 1.00 0.00 H new ATOM 0 HE2 TYR A 192 1.139 5.479 -7.640 1.00 0.00 H new ATOM 0 HH TYR A 192 3.534 5.479 -7.295 1.00 0.00 H new ATOM 1024 N GLN A 193 -3.369 4.027 -3.484 1.00 0.00 N ATOM 1025 CA GLN A 193 -4.192 5.180 -3.143 1.00 0.00 C ATOM 1026 C GLN A 193 -4.425 5.231 -1.634 1.00 0.00 C ATOM 1027 O GLN A 193 -4.197 6.262 -1.013 1.00 0.00 O ATOM 1028 CB GLN A 193 -5.569 5.094 -3.811 1.00 0.00 C ATOM 1029 CG GLN A 193 -5.638 5.379 -5.316 1.00 0.00 C ATOM 1030 CD GLN A 193 -7.094 5.448 -5.785 1.00 0.00 C ATOM 1031 OE1 GLN A 193 -7.455 6.297 -6.597 1.00 0.00 O ATOM 1032 NE2 GLN A 193 -7.952 4.568 -5.275 1.00 0.00 N ATOM 0 H GLN A 193 -3.760 3.441 -4.221 1.00 0.00 H new ATOM 0 HA GLN A 193 -3.662 6.067 -3.490 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -5.966 4.094 -3.638 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -6.234 5.793 -3.304 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -5.134 6.320 -5.537 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -5.110 4.598 -5.864 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -7.630 3.872 -4.602 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -8.932 4.589 -5.557 1.00 0.00 H new ATOM 1041 N LYS A 194 -4.889 4.126 -1.047 1.00 0.00 N ATOM 1042 CA LYS A 194 -5.153 4.040 0.381 1.00 0.00 C ATOM 1043 C LYS A 194 -3.888 4.396 1.171 1.00 0.00 C ATOM 1044 O LYS A 194 -3.924 5.263 2.043 1.00 0.00 O ATOM 1045 CB LYS A 194 -5.675 2.636 0.710 1.00 0.00 C ATOM 1046 CG LYS A 194 -7.108 2.377 0.220 1.00 0.00 C ATOM 1047 CD LYS A 194 -8.207 3.148 0.974 1.00 0.00 C ATOM 1048 CE LYS A 194 -8.232 2.904 2.490 1.00 0.00 C ATOM 1049 NZ LYS A 194 -8.365 1.475 2.828 1.00 0.00 N ATOM 0 H LYS A 194 -5.091 3.265 -1.555 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.920 4.758 0.671 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -5.009 1.897 0.264 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -5.638 2.488 1.789 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -7.166 2.635 -0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -7.315 1.310 0.300 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -8.074 4.215 0.793 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -9.176 2.872 0.559 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -7.316 3.296 2.933 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -9.061 3.457 2.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -8.428 1.367 3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -9.225 1.092 2.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -7.535 0.956 2.476 1.00 0.00 H new ATOM 1063 N ALA A 195 -2.760 3.754 0.855 1.00 0.00 N ATOM 1064 CA ALA A 195 -1.484 4.033 1.503 1.00 0.00 C ATOM 1065 C ALA A 195 -1.175 5.535 1.486 1.00 0.00 C ATOM 1066 O ALA A 195 -0.792 6.118 2.506 1.00 0.00 O ATOM 1067 CB ALA A 195 -0.376 3.238 0.809 1.00 0.00 C ATOM 0 H ALA A 195 -2.710 3.027 0.142 1.00 0.00 H new ATOM 0 HA ALA A 195 -1.542 3.725 2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 195 0.578 3.446 1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 195 -0.594 2.172 0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 195 -0.322 3.529 -0.240 1.00 0.00 H new ATOM 1073 N LEU A 196 -1.358 6.168 0.324 1.00 0.00 N ATOM 1074 CA LEU A 196 -1.128 7.593 0.168 1.00 0.00 C ATOM 1075 C LEU A 196 -2.141 8.409 0.976 1.00 0.00 C ATOM 1076 O LEU A 196 -1.772 9.396 1.605 1.00 0.00 O ATOM 1077 CB LEU A 196 -1.176 7.952 -1.322 1.00 0.00 C ATOM 1078 CG LEU A 196 -0.006 7.365 -2.133 1.00 0.00 C ATOM 1079 CD1 LEU A 196 -0.305 7.508 -3.629 1.00 0.00 C ATOM 1080 CD2 LEU A 196 1.325 8.060 -1.817 1.00 0.00 C ATOM 0 H LEU A 196 -1.669 5.702 -0.528 1.00 0.00 H new ATOM 0 HA LEU A 196 -0.141 7.842 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -2.115 7.595 -1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -1.172 9.037 -1.427 1.00 0.00 H new ATOM 0 HG LEU A 196 0.093 6.315 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 196 0.521 7.093 -4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -1.222 6.970 -3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -0.427 8.562 -3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 196 2.120 7.612 -2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 196 1.247 9.121 -2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 196 1.555 7.942 -0.758 1.00 0.00 H new ATOM 1092 N ALA A 197 -3.407 7.997 0.963 1.00 0.00 N ATOM 1093 CA ALA A 197 -4.491 8.649 1.686 1.00 0.00 C ATOM 1094 C ALA A 197 -4.181 8.705 3.182 1.00 0.00 C ATOM 1095 O ALA A 197 -4.284 9.771 3.783 1.00 0.00 O ATOM 1096 CB ALA A 197 -5.824 7.948 1.412 1.00 0.00 C ATOM 0 H ALA A 197 -3.713 7.179 0.435 1.00 0.00 H new ATOM 0 HA ALA A 197 -4.581 9.675 1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -6.619 8.451 1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -6.041 7.984 0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -5.762 6.909 1.734 1.00 0.00 H new ATOM 1102 N MET A 198 -3.782 7.577 3.787 1.00 0.00 N ATOM 1103 CA MET A 198 -3.394 7.599 5.196 1.00 0.00 C ATOM 1104 C MET A 198 -2.113 8.415 5.348 1.00 0.00 C ATOM 1105 O MET A 198 -1.954 9.144 6.325 1.00 0.00 O ATOM 1106 CB MET A 198 -3.212 6.192 5.779 1.00 0.00 C ATOM 1107 CG MET A 198 -4.554 5.555 6.166 1.00 0.00 C ATOM 1108 SD MET A 198 -5.512 4.781 4.844 1.00 0.00 S ATOM 1109 CE MET A 198 -4.431 3.381 4.495 1.00 0.00 C ATOM 0 H MET A 198 -3.722 6.665 3.335 1.00 0.00 H new ATOM 0 HA MET A 198 -4.202 8.063 5.761 1.00 0.00 H new ATOM 0 HB2 MET A 198 -2.707 5.559 5.049 1.00 0.00 H new ATOM 0 HB3 MET A 198 -2.568 6.243 6.657 1.00 0.00 H new ATOM 0 HG2 MET A 198 -4.363 4.802 6.930 1.00 0.00 H new ATOM 0 HG3 MET A 198 -5.173 6.325 6.626 1.00 0.00 H new ATOM 0 HE1 MET A 198 -4.970 2.644 3.900 1.00 0.00 H new ATOM 0 HE2 MET A 198 -3.557 3.725 3.942 1.00 0.00 H new ATOM 0 HE3 MET A 198 -4.111 2.926 5.432 1.00 0.00 H new ATOM 1119 N GLY A 199 -1.205 8.289 4.378 1.00 0.00 N ATOM 1120 CA GLY A 199 0.035 9.037 4.356 1.00 0.00 C ATOM 1121 C GLY A 199 1.194 8.185 4.837 1.00 0.00 C ATOM 1122 O GLY A 199 1.930 8.589 5.736 1.00 0.00 O ATOM 0 H GLY A 199 -1.319 7.658 3.584 1.00 0.00 H new ATOM 0 HA2 GLY A 199 0.233 9.389 3.344 1.00 0.00 H new ATOM 0 HA3 GLY A 199 -0.058 9.920 4.988 1.00 0.00 H new ATOM 1126 N MET A 200 1.384 7.016 4.214 1.00 0.00 N ATOM 1127 CA MET A 200 2.547 6.189 4.500 1.00 0.00 C ATOM 1128 C MET A 200 3.793 7.024 4.181 1.00 0.00 C ATOM 1129 O MET A 200 3.803 7.758 3.192 1.00 0.00 O ATOM 1130 CB MET A 200 2.497 4.900 3.668 1.00 0.00 C ATOM 1131 CG MET A 200 1.628 3.846 4.362 1.00 0.00 C ATOM 1132 SD MET A 200 1.690 2.185 3.650 1.00 0.00 S ATOM 1133 CE MET A 200 0.780 1.273 4.918 1.00 0.00 C ATOM 0 H MET A 200 0.749 6.629 3.515 1.00 0.00 H new ATOM 0 HA MET A 200 2.568 5.887 5.547 1.00 0.00 H new ATOM 0 HB2 MET A 200 2.096 5.115 2.677 1.00 0.00 H new ATOM 0 HB3 MET A 200 3.506 4.512 3.527 1.00 0.00 H new ATOM 0 HG2 MET A 200 1.930 3.784 5.408 1.00 0.00 H new ATOM 0 HG3 MET A 200 0.593 4.189 4.348 1.00 0.00 H new ATOM 0 HE1 MET A 200 0.567 0.266 4.560 1.00 0.00 H new ATOM 0 HE2 MET A 200 1.380 1.216 5.826 1.00 0.00 H new ATOM 0 HE3 MET A 200 -0.157 1.787 5.134 1.00 0.00 H new ATOM 1143 N LYS A 201 4.824 6.953 5.030 1.00 0.00 N ATOM 1144 CA LYS A 201 6.041 7.745 4.901 1.00 0.00 C ATOM 1145 C LYS A 201 6.867 7.283 3.696 1.00 0.00 C ATOM 1146 O LYS A 201 7.907 6.645 3.843 1.00 0.00 O ATOM 1147 CB LYS A 201 6.830 7.713 6.223 1.00 0.00 C ATOM 1148 CG LYS A 201 6.293 8.692 7.284 1.00 0.00 C ATOM 1149 CD LYS A 201 4.797 8.532 7.581 1.00 0.00 C ATOM 1150 CE LYS A 201 4.322 9.474 8.689 1.00 0.00 C ATOM 1151 NZ LYS A 201 2.867 9.345 8.885 1.00 0.00 N ATOM 0 H LYS A 201 4.831 6.331 5.838 1.00 0.00 H new ATOM 0 HA LYS A 201 5.781 8.786 4.708 1.00 0.00 H new ATOM 0 HB2 LYS A 201 6.804 6.701 6.628 1.00 0.00 H new ATOM 0 HB3 LYS A 201 7.875 7.948 6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 201 6.853 8.553 8.209 1.00 0.00 H new ATOM 0 HG3 LYS A 201 6.479 9.712 6.949 1.00 0.00 H new ATOM 0 HD2 LYS A 201 4.226 8.725 6.673 1.00 0.00 H new ATOM 0 HD3 LYS A 201 4.595 7.501 7.872 1.00 0.00 H new ATOM 0 HE2 LYS A 201 4.842 9.244 9.619 1.00 0.00 H new ATOM 0 HE3 LYS A 201 4.571 10.503 8.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 201 2.487 10.237 9.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 201 2.412 9.131 7.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 201 2.674 8.576 9.558 1.00 0.00 H new ATOM 1165 N ARG A 202 6.380 7.631 2.502 1.00 0.00 N ATOM 1166 CA ARG A 202 6.932 7.326 1.190 1.00 0.00 C ATOM 1167 C ARG A 202 8.459 7.422 1.197 1.00 0.00 C ATOM 1168 O ARG A 202 9.143 6.473 0.829 1.00 0.00 O ATOM 1169 CB ARG A 202 6.271 8.272 0.168 1.00 0.00 C ATOM 1170 CG ARG A 202 6.335 7.726 -1.261 1.00 0.00 C ATOM 1171 CD ARG A 202 5.455 8.546 -2.214 1.00 0.00 C ATOM 1172 NE ARG A 202 5.232 7.843 -3.488 1.00 0.00 N ATOM 1173 CZ ARG A 202 6.014 7.909 -4.576 1.00 0.00 C ATOM 1174 NH1 ARG A 202 7.164 8.587 -4.555 1.00 0.00 N ATOM 1175 NH2 ARG A 202 5.640 7.298 -5.704 1.00 0.00 N ATOM 0 H ARG A 202 5.521 8.176 2.428 1.00 0.00 H new ATOM 0 HA ARG A 202 6.711 6.297 0.908 1.00 0.00 H new ATOM 0 HB2 ARG A 202 5.229 8.432 0.446 1.00 0.00 H new ATOM 0 HB3 ARG A 202 6.764 9.244 0.205 1.00 0.00 H new ATOM 0 HG2 ARG A 202 7.367 7.742 -1.612 1.00 0.00 H new ATOM 0 HG3 ARG A 202 6.011 6.685 -1.269 1.00 0.00 H new ATOM 0 HD2 ARG A 202 4.496 8.751 -1.738 1.00 0.00 H new ATOM 0 HD3 ARG A 202 5.927 9.509 -2.407 1.00 0.00 H new ATOM 0 HE ARG A 202 4.405 7.250 -3.549 1.00 0.00 H new ATOM 0 HH11 ARG A 202 7.459 9.064 -3.703 1.00 0.00 H new ATOM 0 HH12 ARG A 202 7.747 8.628 -5.391 1.00 0.00 H new ATOM 0 HH21 ARG A 202 4.761 6.782 -5.737 1.00 0.00 H new ATOM 0 HH22 ARG A 202 6.234 7.348 -6.532 1.00 0.00 H new ATOM 1189 N GLU A 203 8.991 8.555 1.656 1.00 0.00 N ATOM 1190 CA GLU A 203 10.424 8.805 1.740 1.00 0.00 C ATOM 1191 C GLU A 203 11.200 7.648 2.388 1.00 0.00 C ATOM 1192 O GLU A 203 12.270 7.285 1.904 1.00 0.00 O ATOM 1193 CB GLU A 203 10.669 10.108 2.511 1.00 0.00 C ATOM 1194 CG GLU A 203 10.072 11.328 1.796 1.00 0.00 C ATOM 1195 CD GLU A 203 10.357 12.608 2.574 1.00 0.00 C ATOM 1196 OE1 GLU A 203 9.629 12.839 3.563 1.00 0.00 O ATOM 1197 OE2 GLU A 203 11.301 13.321 2.173 1.00 0.00 O ATOM 0 H GLU A 203 8.425 9.337 1.985 1.00 0.00 H new ATOM 0 HA GLU A 203 10.799 8.893 0.720 1.00 0.00 H new ATOM 0 HB2 GLU A 203 10.235 10.025 3.507 1.00 0.00 H new ATOM 0 HB3 GLU A 203 11.741 10.255 2.641 1.00 0.00 H new ATOM 0 HG2 GLU A 203 10.490 11.407 0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 203 8.996 11.198 1.684 1.00 0.00 H new ATOM 1204 N ALA A 204 10.667 7.055 3.464 1.00 0.00 N ATOM 1205 CA ALA A 204 11.335 5.969 4.175 1.00 0.00 C ATOM 1206 C ALA A 204 11.654 4.784 3.261 1.00 0.00 C ATOM 1207 O ALA A 204 12.630 4.073 3.493 1.00 0.00 O ATOM 1208 CB ALA A 204 10.509 5.528 5.385 1.00 0.00 C ATOM 0 H ALA A 204 9.765 7.316 3.861 1.00 0.00 H new ATOM 0 HA ALA A 204 12.290 6.355 4.530 1.00 0.00 H new ATOM 0 HB1 ALA A 204 11.024 4.718 5.901 1.00 0.00 H new ATOM 0 HB2 ALA A 204 10.383 6.370 6.066 1.00 0.00 H new ATOM 0 HB3 ALA A 204 9.531 5.182 5.051 1.00 0.00 H new ATOM 1214 N VAL A 205 10.872 4.583 2.195 1.00 0.00 N ATOM 1215 CA VAL A 205 11.147 3.524 1.235 1.00 0.00 C ATOM 1216 C VAL A 205 12.575 3.642 0.705 1.00 0.00 C ATOM 1217 O VAL A 205 13.243 2.633 0.474 1.00 0.00 O ATOM 1218 CB VAL A 205 10.145 3.597 0.077 1.00 0.00 C ATOM 1219 CG1 VAL A 205 10.628 2.735 -1.085 1.00 0.00 C ATOM 1220 CG2 VAL A 205 8.749 3.164 0.535 1.00 0.00 C ATOM 0 H VAL A 205 10.046 5.142 1.981 1.00 0.00 H new ATOM 0 HA VAL A 205 11.043 2.561 1.735 1.00 0.00 H new ATOM 0 HB VAL A 205 10.077 4.631 -0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 205 9.910 2.792 -1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 205 11.598 3.096 -1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 205 10.721 1.700 -0.756 1.00 0.00 H new ATOM 0 HG21 VAL A 205 8.056 3.224 -0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 205 8.788 2.138 0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 205 8.408 3.821 1.335 1.00 0.00 H new ATOM 1230 N GLN A 206 13.060 4.871 0.535 1.00 0.00 N ATOM 1231 CA GLN A 206 14.387 5.123 0.009 1.00 0.00 C ATOM 1232 C GLN A 206 15.503 4.756 0.994 1.00 0.00 C ATOM 1233 O GLN A 206 16.659 5.052 0.701 1.00 0.00 O ATOM 1234 CB GLN A 206 14.486 6.582 -0.467 1.00 0.00 C ATOM 1235 CG GLN A 206 13.409 6.936 -1.506 1.00 0.00 C ATOM 1236 CD GLN A 206 13.526 6.088 -2.769 1.00 0.00 C ATOM 1237 OE1 GLN A 206 12.749 5.163 -2.981 1.00 0.00 O ATOM 1238 NE2 GLN A 206 14.510 6.380 -3.614 1.00 0.00 N ATOM 0 H GLN A 206 12.537 5.717 0.761 1.00 0.00 H new ATOM 0 HA GLN A 206 14.538 4.465 -0.846 1.00 0.00 H new ATOM 0 HB2 GLN A 206 14.392 7.248 0.391 1.00 0.00 H new ATOM 0 HB3 GLN A 206 15.472 6.754 -0.898 1.00 0.00 H new ATOM 0 HG2 GLN A 206 12.422 6.795 -1.066 1.00 0.00 H new ATOM 0 HG3 GLN A 206 13.493 7.990 -1.769 1.00 0.00 H new ATOM 0 HE21 GLN A 206 15.142 7.155 -3.413 1.00 0.00 H new ATOM 0 HE22 GLN A 206 14.633 5.829 -4.464 1.00 0.00 H new ATOM 1247 N GLU A 207 15.208 4.105 2.129 1.00 0.00 N ATOM 1248 CA GLU A 207 16.213 3.703 3.108 1.00 0.00 C ATOM 1249 C GLU A 207 17.378 2.974 2.426 1.00 0.00 C ATOM 1250 O GLU A 207 18.513 3.447 2.437 1.00 0.00 O ATOM 1251 CB GLU A 207 15.537 2.842 4.187 1.00 0.00 C ATOM 1252 CG GLU A 207 16.513 2.357 5.266 1.00 0.00 C ATOM 1253 CD GLU A 207 15.791 1.506 6.305 1.00 0.00 C ATOM 1254 OE1 GLU A 207 15.450 0.357 5.952 1.00 0.00 O ATOM 1255 OE2 GLU A 207 15.581 2.023 7.424 1.00 0.00 O ATOM 0 H GLU A 207 14.257 3.844 2.389 1.00 0.00 H new ATOM 0 HA GLU A 207 16.641 4.584 3.587 1.00 0.00 H new ATOM 0 HB2 GLU A 207 14.741 3.419 4.658 1.00 0.00 H new ATOM 0 HB3 GLU A 207 15.069 1.979 3.714 1.00 0.00 H new ATOM 0 HG2 GLU A 207 17.312 1.776 4.805 1.00 0.00 H new ATOM 0 HG3 GLU A 207 16.980 3.214 5.752 1.00 0.00 H new