USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=28 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+ 132:sc= 0.0101 (180deg=-0.0323) USER MOD Set 1.2: A 189 TYR OH : rot -30:sc= 1.23 USER MOD Set 1.3: A 193 GLN : amide:sc= 0.819 K(o=2.1,f=1.1) USER MOD Set 2.1: A 171 CYS SG : rot 144:sc= 0.524 USER MOD Set 2.2: A 177 CYS SG : rot -153:sc= 0.184 USER MOD Set 2.3: A 187 CYS SG : rot -173:sc= 0.481 USER MOD Set 2.4: A 190 CYS SG : rot 120:sc= -1.59 USER MOD Set 3.1: A 162 THR OG1 : rot 83:sc= 2 USER MOD Set 3.2: A 169 TYR OH : rot -168:sc= 1.17 USER MOD Set 4.1: A 146 HIS : no HE2:sc= -0.268 K(o=0.68,f=-3!) USER MOD Set 4.2: A 151 SER OG : rot -75:sc= 0.943 USER MOD Set 5.1: A 135 CYS SG : rot 10:sc= 0.253 USER MOD Set 5.2: A 138 CYS SG : rot -31:sc= 0.402 USER MOD Set 5.3: A 152 CYS SG : rot -70:sc= 0.408 USER MOD Set 5.4: A 155 CYS SG : rot 159:sc= 0.27 USER MOD Single : A 133 HIS : no HE2:sc= -0.117 K(o=-0.12,f=-5!) USER MOD Single : A 142 SER OG : rot -150:sc= 1.71 USER MOD Single : A 143 SER OG : rot -90:sc= 0.133 USER MOD Single : A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 TYR OH : rot -164:sc= 1.13 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 156 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0128) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0785) USER MOD Single : A 168 THR OG1 : rot 14:sc= 0.5 USER MOD Single : A 170 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 174 ASN : amide:sc= -0.289 X(o=-0.29,f=0) USER MOD Single : A 188 GLN : amide:sc= 0.473 K(o=0.47,f=-3.7!) USER MOD Single : A 192 TYR OH : rot 138:sc= 2.27 USER MOD Single : A 194 LYS NZ :NH3+ 134:sc= 0.0184 (180deg=-0.0378) USER MOD Single : A 198 MET CE :methyl 174:sc= -0.166 (180deg=-0.202) USER MOD Single : A 200 MET CE :methyl 177:sc= -0.726 (180deg=-0.752) USER MOD Single : A 201 LYS NZ :NH3+ 146:sc= 1.17 (180deg=0.255) USER MOD Single : A 206 GLN : amide:sc= -0.0658 X(o=-0.066,f=-0.066) USER MOD ----------------------------------------------------------------- ATOM 57 N HIS A 133 -2.485 -2.364 15.788 1.00 0.00 N ATOM 58 CA HIS A 133 -3.454 -1.771 14.874 1.00 0.00 C ATOM 59 C HIS A 133 -3.306 -2.433 13.500 1.00 0.00 C ATOM 60 O HIS A 133 -2.204 -2.486 12.961 1.00 0.00 O ATOM 61 CB HIS A 133 -3.179 -0.259 14.870 1.00 0.00 C ATOM 62 CG HIS A 133 -3.811 0.627 13.819 1.00 0.00 C ATOM 63 ND1 HIS A 133 -4.134 0.299 12.520 1.00 0.00 N ATOM 64 CD2 HIS A 133 -3.838 1.995 13.894 1.00 0.00 C ATOM 65 CE1 HIS A 133 -4.399 1.436 11.856 1.00 0.00 C ATOM 66 NE2 HIS A 133 -4.225 2.500 12.650 1.00 0.00 N ATOM 0 HA HIS A 133 -4.490 -1.931 15.174 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -3.482 0.127 15.843 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -2.099 -0.127 14.797 1.00 0.00 H new ATOM 0 HD1 HIS A 133 -4.166 -0.643 12.131 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -3.600 2.584 14.768 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -4.710 1.485 10.823 1.00 0.00 H new ATOM 74 N ILE A 134 -4.405 -2.969 12.960 1.00 0.00 N ATOM 75 CA ILE A 134 -4.443 -3.671 11.678 1.00 0.00 C ATOM 76 C ILE A 134 -3.861 -2.846 10.531 1.00 0.00 C ATOM 77 O ILE A 134 -3.726 -1.629 10.635 1.00 0.00 O ATOM 78 CB ILE A 134 -5.887 -4.083 11.333 1.00 0.00 C ATOM 79 CG1 ILE A 134 -6.871 -2.896 11.384 1.00 0.00 C ATOM 80 CG2 ILE A 134 -6.326 -5.256 12.206 1.00 0.00 C ATOM 81 CD1 ILE A 134 -8.331 -3.306 11.170 1.00 0.00 C ATOM 0 H ILE A 134 -5.316 -2.924 13.417 1.00 0.00 H new ATOM 0 HA ILE A 134 -3.819 -4.557 11.793 1.00 0.00 H new ATOM 0 HB ILE A 134 -5.902 -4.419 10.296 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -6.779 -2.399 12.350 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -6.590 -2.168 10.623 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -7.348 -5.536 11.951 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -5.664 -6.105 12.035 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -6.280 -4.966 13.256 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -8.968 -2.423 11.218 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -8.437 -3.777 10.193 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -8.629 -4.011 11.946 1.00 0.00 H new ATOM 93 N CYS A 135 -3.538 -3.509 9.419 1.00 0.00 N ATOM 94 CA CYS A 135 -3.015 -2.831 8.245 1.00 0.00 C ATOM 95 C CYS A 135 -3.975 -1.724 7.810 1.00 0.00 C ATOM 96 O CYS A 135 -5.125 -2.008 7.492 1.00 0.00 O ATOM 97 CB CYS A 135 -2.825 -3.824 7.098 1.00 0.00 C ATOM 98 SG CYS A 135 -2.223 -3.039 5.581 1.00 0.00 S ATOM 0 H CYS A 135 -3.632 -4.519 9.313 1.00 0.00 H new ATOM 0 HA CYS A 135 -2.050 -2.393 8.499 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -2.121 -4.597 7.406 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -3.773 -4.321 6.893 1.00 0.00 H new ATOM 0 HG CYS A 135 -1.873 -1.813 5.836 1.00 0.00 H new ATOM 103 N ALA A 136 -3.509 -0.476 7.775 1.00 0.00 N ATOM 104 CA ALA A 136 -4.310 0.677 7.388 1.00 0.00 C ATOM 105 C ALA A 136 -5.067 0.456 6.073 1.00 0.00 C ATOM 106 O ALA A 136 -6.226 0.835 5.942 1.00 0.00 O ATOM 107 CB ALA A 136 -3.385 1.895 7.279 1.00 0.00 C ATOM 0 H ALA A 136 -2.548 -0.237 8.019 1.00 0.00 H new ATOM 0 HA ALA A 136 -5.070 0.840 8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -3.968 2.770 6.990 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.910 2.078 8.243 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.619 1.704 6.527 1.00 0.00 H new ATOM 113 N ILE A 137 -4.381 -0.124 5.089 1.00 0.00 N ATOM 114 CA ILE A 137 -4.896 -0.321 3.740 1.00 0.00 C ATOM 115 C ILE A 137 -5.999 -1.382 3.644 1.00 0.00 C ATOM 116 O ILE A 137 -7.023 -1.121 3.018 1.00 0.00 O ATOM 117 CB ILE A 137 -3.717 -0.641 2.801 1.00 0.00 C ATOM 118 CG1 ILE A 137 -2.746 0.551 2.728 1.00 0.00 C ATOM 119 CG2 ILE A 137 -4.189 -0.993 1.381 1.00 0.00 C ATOM 120 CD1 ILE A 137 -1.323 0.077 2.442 1.00 0.00 C ATOM 0 H ILE A 137 -3.432 -0.477 5.213 1.00 0.00 H new ATOM 0 HA ILE A 137 -5.380 0.606 3.432 1.00 0.00 H new ATOM 0 HB ILE A 137 -3.208 -1.510 3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -3.068 1.240 1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -2.768 1.102 3.668 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -3.325 -1.211 0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -4.839 -1.867 1.420 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -4.739 -0.151 0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -0.655 0.937 2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -0.996 -0.593 3.237 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -1.300 -0.452 1.489 1.00 0.00 H new ATOM 132 N CYS A 138 -5.764 -2.591 4.175 1.00 0.00 N ATOM 133 CA CYS A 138 -6.672 -3.731 3.995 1.00 0.00 C ATOM 134 C CYS A 138 -7.224 -4.355 5.278 1.00 0.00 C ATOM 135 O CYS A 138 -8.030 -5.276 5.207 1.00 0.00 O ATOM 136 CB CYS A 138 -5.983 -4.781 3.114 1.00 0.00 C ATOM 137 SG CYS A 138 -4.371 -5.398 3.673 1.00 0.00 S ATOM 0 H CYS A 138 -4.942 -2.805 4.739 1.00 0.00 H new ATOM 0 HA CYS A 138 -7.562 -3.333 3.508 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -6.655 -5.633 3.014 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -5.856 -4.357 2.118 1.00 0.00 H new ATOM 0 HG CYS A 138 -3.747 -4.458 4.319 1.00 0.00 H new ATOM 142 N GLY A 139 -6.826 -3.882 6.456 1.00 0.00 N ATOM 143 CA GLY A 139 -7.340 -4.388 7.718 1.00 0.00 C ATOM 144 C GLY A 139 -6.848 -5.794 8.063 1.00 0.00 C ATOM 145 O GLY A 139 -7.384 -6.423 8.973 1.00 0.00 O ATOM 0 H GLY A 139 -6.137 -3.137 6.559 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -7.052 -3.705 8.517 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -8.429 -4.393 7.681 1.00 0.00 H new ATOM 149 N ASP A 140 -5.817 -6.292 7.374 1.00 0.00 N ATOM 150 CA ASP A 140 -5.227 -7.587 7.675 1.00 0.00 C ATOM 151 C ASP A 140 -4.262 -7.429 8.849 1.00 0.00 C ATOM 152 O ASP A 140 -3.966 -6.309 9.272 1.00 0.00 O ATOM 153 CB ASP A 140 -4.506 -8.131 6.436 1.00 0.00 C ATOM 154 CG ASP A 140 -5.491 -8.733 5.442 1.00 0.00 C ATOM 155 OD1 ASP A 140 -5.896 -9.891 5.684 1.00 0.00 O ATOM 156 OD2 ASP A 140 -5.834 -8.025 4.474 1.00 0.00 O ATOM 0 H ASP A 140 -5.373 -5.805 6.595 1.00 0.00 H new ATOM 0 HA ASP A 140 -6.004 -8.300 7.950 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.947 -7.328 5.956 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -3.782 -8.888 6.737 1.00 0.00 H new ATOM 161 N ARG A 141 -3.756 -8.555 9.359 1.00 0.00 N ATOM 162 CA ARG A 141 -2.790 -8.567 10.447 1.00 0.00 C ATOM 163 C ARG A 141 -1.588 -7.714 10.041 1.00 0.00 C ATOM 164 O ARG A 141 -0.871 -8.059 9.102 1.00 0.00 O ATOM 165 CB ARG A 141 -2.366 -10.016 10.753 1.00 0.00 C ATOM 166 CG ARG A 141 -1.240 -10.155 11.796 1.00 0.00 C ATOM 167 CD ARG A 141 -1.713 -10.186 13.257 1.00 0.00 C ATOM 168 NE ARG A 141 -2.643 -9.104 13.603 1.00 0.00 N ATOM 169 CZ ARG A 141 -2.328 -7.815 13.795 1.00 0.00 C ATOM 170 NH1 ARG A 141 -1.085 -7.366 13.598 1.00 0.00 N ATOM 171 NH2 ARG A 141 -3.289 -6.964 14.159 1.00 0.00 N ATOM 0 H ARG A 141 -4.009 -9.484 9.024 1.00 0.00 H new ATOM 0 HA ARG A 141 -3.232 -8.151 11.352 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -3.238 -10.568 11.105 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -2.043 -10.488 9.825 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -0.684 -11.070 11.590 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -0.545 -9.325 11.672 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -2.196 -11.144 13.452 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -0.843 -10.128 13.912 1.00 0.00 H new ATOM 0 HE ARG A 141 -3.625 -9.358 13.708 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -0.353 -8.008 13.295 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -0.868 -6.381 13.750 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -4.244 -7.298 14.287 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -3.068 -5.980 14.310 1.00 0.00 H new ATOM 185 N SER A 142 -1.355 -6.610 10.748 1.00 0.00 N ATOM 186 CA SER A 142 -0.226 -5.743 10.505 1.00 0.00 C ATOM 187 C SER A 142 1.071 -6.483 10.835 1.00 0.00 C ATOM 188 O SER A 142 1.141 -7.242 11.802 1.00 0.00 O ATOM 189 CB SER A 142 -0.386 -4.483 11.361 1.00 0.00 C ATOM 190 OG SER A 142 -0.905 -4.824 12.636 1.00 0.00 O ATOM 0 H SER A 142 -1.956 -6.298 11.511 1.00 0.00 H new ATOM 0 HA SER A 142 -0.184 -5.452 9.455 1.00 0.00 H new ATOM 0 HB2 SER A 142 0.577 -3.985 11.473 1.00 0.00 H new ATOM 0 HB3 SER A 142 -1.053 -3.779 10.864 1.00 0.00 H new ATOM 0 HG SER A 142 -1.431 -4.075 12.986 1.00 0.00 H new ATOM 196 N SER A 143 2.101 -6.230 10.031 1.00 0.00 N ATOM 197 CA SER A 143 3.439 -6.761 10.207 1.00 0.00 C ATOM 198 C SER A 143 4.266 -5.721 10.961 1.00 0.00 C ATOM 199 O SER A 143 5.063 -6.078 11.824 1.00 0.00 O ATOM 200 CB SER A 143 4.048 -7.107 8.845 1.00 0.00 C ATOM 201 OG SER A 143 3.169 -7.957 8.122 1.00 0.00 O ATOM 0 H SER A 143 2.018 -5.628 9.212 1.00 0.00 H new ATOM 0 HA SER A 143 3.421 -7.683 10.788 1.00 0.00 H new ATOM 0 HB2 SER A 143 4.233 -6.195 8.278 1.00 0.00 H new ATOM 0 HB3 SER A 143 5.011 -7.598 8.982 1.00 0.00 H new ATOM 0 HG SER A 143 3.378 -8.893 8.325 1.00 0.00 H new ATOM 207 N GLY A 144 4.071 -4.432 10.659 1.00 0.00 N ATOM 208 CA GLY A 144 4.781 -3.371 11.350 1.00 0.00 C ATOM 209 C GLY A 144 4.310 -2.000 10.879 1.00 0.00 C ATOM 210 O GLY A 144 3.547 -1.880 9.920 1.00 0.00 O ATOM 0 H GLY A 144 3.425 -4.107 9.939 1.00 0.00 H new ATOM 0 HA2 GLY A 144 4.624 -3.464 12.425 1.00 0.00 H new ATOM 0 HA3 GLY A 144 5.852 -3.471 11.175 1.00 0.00 H new ATOM 214 N LYS A 145 4.773 -0.953 11.563 1.00 0.00 N ATOM 215 CA LYS A 145 4.438 0.425 11.245 1.00 0.00 C ATOM 216 C LYS A 145 5.363 0.902 10.121 1.00 0.00 C ATOM 217 O LYS A 145 6.183 1.803 10.302 1.00 0.00 O ATOM 218 CB LYS A 145 4.499 1.247 12.543 1.00 0.00 C ATOM 219 CG LYS A 145 3.848 2.626 12.396 1.00 0.00 C ATOM 220 CD LYS A 145 3.606 3.254 13.773 1.00 0.00 C ATOM 221 CE LYS A 145 2.929 4.621 13.623 1.00 0.00 C ATOM 222 NZ LYS A 145 2.587 5.195 14.936 1.00 0.00 N ATOM 0 H LYS A 145 5.399 -1.045 12.363 1.00 0.00 H new ATOM 0 HA LYS A 145 3.424 0.544 10.863 1.00 0.00 H new ATOM 0 HB2 LYS A 145 4.001 0.697 13.341 1.00 0.00 H new ATOM 0 HB3 LYS A 145 5.540 1.370 12.842 1.00 0.00 H new ATOM 0 HG2 LYS A 145 4.489 3.276 11.801 1.00 0.00 H new ATOM 0 HG3 LYS A 145 2.903 2.534 11.861 1.00 0.00 H new ATOM 0 HD2 LYS A 145 2.981 2.595 14.376 1.00 0.00 H new ATOM 0 HD3 LYS A 145 4.553 3.366 14.301 1.00 0.00 H new ATOM 0 HE2 LYS A 145 3.592 5.301 13.088 1.00 0.00 H new ATOM 0 HE3 LYS A 145 2.025 4.518 13.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 2.130 6.120 14.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 1.936 4.556 15.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 3.453 5.315 15.499 1.00 0.00 H new ATOM 236 N HIS A 146 5.241 0.275 8.948 1.00 0.00 N ATOM 237 CA HIS A 146 6.110 0.568 7.818 1.00 0.00 C ATOM 238 C HIS A 146 5.711 1.913 7.219 1.00 0.00 C ATOM 239 O HIS A 146 4.537 2.278 7.208 1.00 0.00 O ATOM 240 CB HIS A 146 6.040 -0.553 6.776 1.00 0.00 C ATOM 241 CG HIS A 146 6.088 -1.939 7.373 1.00 0.00 C ATOM 242 ND1 HIS A 146 7.088 -2.440 8.178 1.00 0.00 N ATOM 243 CD2 HIS A 146 5.135 -2.914 7.242 1.00 0.00 C ATOM 244 CE1 HIS A 146 6.751 -3.701 8.499 1.00 0.00 C ATOM 245 NE2 HIS A 146 5.570 -4.033 7.955 1.00 0.00 N ATOM 0 H HIS A 146 4.541 -0.443 8.761 1.00 0.00 H new ATOM 0 HA HIS A 146 7.144 0.627 8.157 1.00 0.00 H new ATOM 0 HB2 HIS A 146 5.120 -0.446 6.201 1.00 0.00 H new ATOM 0 HB3 HIS A 146 6.868 -0.439 6.076 1.00 0.00 H new ATOM 0 HD1 HIS A 146 7.929 -1.945 8.475 1.00 0.00 H new ATOM 0 HD2 HIS A 146 4.212 -2.832 6.687 1.00 0.00 H new ATOM 0 HE1 HIS A 146 7.350 -4.358 9.112 1.00 0.00 H new ATOM 253 N TYR A 147 6.700 2.688 6.772 1.00 0.00 N ATOM 254 CA TYR A 147 6.478 4.034 6.255 1.00 0.00 C ATOM 255 C TYR A 147 5.692 4.896 7.257 1.00 0.00 C ATOM 256 O TYR A 147 4.959 5.801 6.861 1.00 0.00 O ATOM 257 CB TYR A 147 5.786 3.984 4.883 1.00 0.00 C ATOM 258 CG TYR A 147 6.242 2.860 3.978 1.00 0.00 C ATOM 259 CD1 TYR A 147 7.595 2.758 3.607 1.00 0.00 C ATOM 260 CD2 TYR A 147 5.339 1.848 3.607 1.00 0.00 C ATOM 261 CE1 TYR A 147 8.050 1.619 2.926 1.00 0.00 C ATOM 262 CE2 TYR A 147 5.788 0.740 2.875 1.00 0.00 C ATOM 263 CZ TYR A 147 7.152 0.605 2.573 1.00 0.00 C ATOM 264 OH TYR A 147 7.610 -0.481 1.895 1.00 0.00 O ATOM 0 H TYR A 147 7.678 2.397 6.759 1.00 0.00 H new ATOM 0 HA TYR A 147 7.450 4.508 6.119 1.00 0.00 H new ATOM 0 HB2 TYR A 147 4.711 3.892 5.038 1.00 0.00 H new ATOM 0 HB3 TYR A 147 5.955 4.932 4.373 1.00 0.00 H new ATOM 0 HD1 TYR A 147 8.283 3.556 3.846 1.00 0.00 H new ATOM 0 HD2 TYR A 147 4.299 1.924 3.886 1.00 0.00 H new ATOM 0 HE1 TYR A 147 9.096 1.524 2.673 1.00 0.00 H new ATOM 0 HE2 TYR A 147 5.085 -0.009 2.544 1.00 0.00 H new ATOM 0 HH TYR A 147 6.854 -0.961 1.498 1.00 0.00 H new ATOM 274 N GLY A 148 5.835 4.609 8.556 1.00 0.00 N ATOM 275 CA GLY A 148 5.160 5.336 9.616 1.00 0.00 C ATOM 276 C GLY A 148 3.674 4.993 9.769 1.00 0.00 C ATOM 277 O GLY A 148 2.995 5.677 10.531 1.00 0.00 O ATOM 0 H GLY A 148 6.432 3.855 8.896 1.00 0.00 H new ATOM 0 HA2 GLY A 148 5.667 5.133 10.559 1.00 0.00 H new ATOM 0 HA3 GLY A 148 5.256 6.405 9.426 1.00 0.00 H new ATOM 281 N VAL A 149 3.154 3.955 9.097 1.00 0.00 N ATOM 282 CA VAL A 149 1.749 3.569 9.205 1.00 0.00 C ATOM 283 C VAL A 149 1.639 2.048 9.329 1.00 0.00 C ATOM 284 O VAL A 149 2.326 1.303 8.633 1.00 0.00 O ATOM 285 CB VAL A 149 0.949 4.090 7.999 1.00 0.00 C ATOM 286 CG1 VAL A 149 -0.527 3.685 8.089 1.00 0.00 C ATOM 287 CG2 VAL A 149 1.045 5.614 7.852 1.00 0.00 C ATOM 0 H VAL A 149 3.698 3.365 8.467 1.00 0.00 H new ATOM 0 HA VAL A 149 1.323 4.020 10.101 1.00 0.00 H new ATOM 0 HB VAL A 149 1.397 3.630 7.118 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -1.063 4.069 7.221 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.605 2.598 8.112 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -0.963 4.099 8.998 1.00 0.00 H new ATOM 0 HG21 VAL A 149 0.464 5.933 6.987 1.00 0.00 H new ATOM 0 HG22 VAL A 149 0.652 6.092 8.750 1.00 0.00 H new ATOM 0 HG23 VAL A 149 2.087 5.901 7.715 1.00 0.00 H new ATOM 297 N TYR A 150 0.757 1.579 10.217 1.00 0.00 N ATOM 298 CA TYR A 150 0.504 0.161 10.424 1.00 0.00 C ATOM 299 C TYR A 150 0.188 -0.512 9.090 1.00 0.00 C ATOM 300 O TYR A 150 -0.782 -0.147 8.425 1.00 0.00 O ATOM 301 CB TYR A 150 -0.648 -0.004 11.413 1.00 0.00 C ATOM 302 CG TYR A 150 -0.249 0.304 12.842 1.00 0.00 C ATOM 303 CD1 TYR A 150 0.369 -0.695 13.616 1.00 0.00 C ATOM 304 CD2 TYR A 150 -0.513 1.567 13.409 1.00 0.00 C ATOM 305 CE1 TYR A 150 0.640 -0.467 14.974 1.00 0.00 C ATOM 306 CE2 TYR A 150 -0.188 1.812 14.754 1.00 0.00 C ATOM 307 CZ TYR A 150 0.332 0.778 15.552 1.00 0.00 C ATOM 308 OH TYR A 150 0.396 0.934 16.902 1.00 0.00 O ATOM 0 H TYR A 150 0.196 2.185 10.816 1.00 0.00 H new ATOM 0 HA TYR A 150 1.391 -0.318 10.839 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -1.468 0.652 11.121 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -1.023 -1.026 11.358 1.00 0.00 H new ATOM 0 HD1 TYR A 150 0.635 -1.639 13.164 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -0.964 2.345 12.811 1.00 0.00 H new ATOM 0 HE1 TYR A 150 1.085 -1.247 15.575 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -0.338 2.795 15.175 1.00 0.00 H new ATOM 0 HH TYR A 150 0.154 1.854 17.137 1.00 0.00 H new ATOM 318 N SER A 151 1.019 -1.472 8.677 1.00 0.00 N ATOM 319 CA SER A 151 0.867 -2.151 7.406 1.00 0.00 C ATOM 320 C SER A 151 1.377 -3.591 7.496 1.00 0.00 C ATOM 321 O SER A 151 2.049 -3.958 8.461 1.00 0.00 O ATOM 322 CB SER A 151 1.535 -1.310 6.313 1.00 0.00 C ATOM 323 OG SER A 151 2.748 -0.744 6.767 1.00 0.00 O ATOM 0 H SER A 151 1.817 -1.795 9.224 1.00 0.00 H new ATOM 0 HA SER A 151 -0.185 -2.243 7.138 1.00 0.00 H new ATOM 0 HB2 SER A 151 1.727 -1.932 5.439 1.00 0.00 H new ATOM 0 HB3 SER A 151 0.857 -0.517 5.997 1.00 0.00 H new ATOM 0 HG SER A 151 2.555 0.008 7.365 1.00 0.00 H new ATOM 329 N CYS A 152 1.013 -4.413 6.502 1.00 0.00 N ATOM 330 CA CYS A 152 1.377 -5.823 6.412 1.00 0.00 C ATOM 331 C CYS A 152 2.389 -6.034 5.285 1.00 0.00 C ATOM 332 O CYS A 152 2.374 -5.273 4.317 1.00 0.00 O ATOM 333 CB CYS A 152 0.126 -6.691 6.221 1.00 0.00 C ATOM 334 SG CYS A 152 -0.863 -6.411 4.726 1.00 0.00 S ATOM 0 H CYS A 152 0.440 -4.100 5.718 1.00 0.00 H new ATOM 0 HA CYS A 152 1.848 -6.130 7.346 1.00 0.00 H new ATOM 0 HB2 CYS A 152 0.436 -7.736 6.229 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -0.521 -6.544 7.086 1.00 0.00 H new ATOM 0 HG CYS A 152 -1.468 -5.264 4.814 1.00 0.00 H new ATOM 339 N GLU A 153 3.263 -7.043 5.404 1.00 0.00 N ATOM 340 CA GLU A 153 4.318 -7.342 4.431 1.00 0.00 C ATOM 341 C GLU A 153 3.882 -7.217 2.964 1.00 0.00 C ATOM 342 O GLU A 153 4.613 -6.650 2.156 1.00 0.00 O ATOM 343 CB GLU A 153 4.935 -8.729 4.674 1.00 0.00 C ATOM 344 CG GLU A 153 5.744 -8.843 5.975 1.00 0.00 C ATOM 345 CD GLU A 153 6.832 -7.778 6.098 1.00 0.00 C ATOM 346 OE1 GLU A 153 7.647 -7.686 5.155 1.00 0.00 O ATOM 347 OE2 GLU A 153 6.821 -7.067 7.126 1.00 0.00 O ATOM 0 H GLU A 153 3.255 -7.686 6.196 1.00 0.00 H new ATOM 0 HA GLU A 153 5.070 -6.571 4.598 1.00 0.00 H new ATOM 0 HB2 GLU A 153 4.137 -9.471 4.690 1.00 0.00 H new ATOM 0 HB3 GLU A 153 5.584 -8.977 3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 153 5.067 -8.762 6.825 1.00 0.00 H new ATOM 0 HG3 GLU A 153 6.203 -9.830 6.025 1.00 0.00 H new ATOM 354 N GLY A 154 2.711 -7.747 2.601 1.00 0.00 N ATOM 355 CA GLY A 154 2.226 -7.666 1.227 1.00 0.00 C ATOM 356 C GLY A 154 2.152 -6.209 0.762 1.00 0.00 C ATOM 357 O GLY A 154 2.740 -5.827 -0.252 1.00 0.00 O ATOM 0 H GLY A 154 2.084 -8.235 3.241 1.00 0.00 H new ATOM 0 HA2 GLY A 154 2.888 -8.229 0.569 1.00 0.00 H new ATOM 0 HA3 GLY A 154 1.240 -8.125 1.157 1.00 0.00 H new ATOM 361 N CYS A 155 1.445 -5.384 1.539 1.00 0.00 N ATOM 362 CA CYS A 155 1.303 -3.964 1.274 1.00 0.00 C ATOM 363 C CYS A 155 2.668 -3.283 1.324 1.00 0.00 C ATOM 364 O CYS A 155 2.971 -2.457 0.466 1.00 0.00 O ATOM 365 CB CYS A 155 0.335 -3.350 2.284 1.00 0.00 C ATOM 366 SG CYS A 155 -1.387 -3.849 2.032 1.00 0.00 S ATOM 0 H CYS A 155 0.953 -5.694 2.377 1.00 0.00 H new ATOM 0 HA CYS A 155 0.894 -3.815 0.275 1.00 0.00 H new ATOM 0 HB2 CYS A 155 0.644 -3.635 3.290 1.00 0.00 H new ATOM 0 HB3 CYS A 155 0.402 -2.264 2.225 1.00 0.00 H new ATOM 0 HG CYS A 155 -2.054 -3.678 3.135 1.00 0.00 H new ATOM 371 N LYS A 156 3.487 -3.641 2.319 1.00 0.00 N ATOM 372 CA LYS A 156 4.832 -3.118 2.485 1.00 0.00 C ATOM 373 C LYS A 156 5.597 -3.258 1.169 1.00 0.00 C ATOM 374 O LYS A 156 5.993 -2.256 0.572 1.00 0.00 O ATOM 375 CB LYS A 156 5.554 -3.839 3.628 1.00 0.00 C ATOM 376 CG LYS A 156 6.906 -3.201 3.968 1.00 0.00 C ATOM 377 CD LYS A 156 7.667 -4.174 4.873 1.00 0.00 C ATOM 378 CE LYS A 156 8.974 -3.585 5.414 1.00 0.00 C ATOM 379 NZ LYS A 156 9.906 -3.228 4.332 1.00 0.00 N ATOM 0 H LYS A 156 3.222 -4.313 3.039 1.00 0.00 H new ATOM 0 HA LYS A 156 4.780 -2.061 2.748 1.00 0.00 H new ATOM 0 HB2 LYS A 156 4.920 -3.832 4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 156 5.708 -4.883 3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 156 7.474 -3.001 3.059 1.00 0.00 H new ATOM 0 HG3 LYS A 156 6.762 -2.245 4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 156 7.029 -4.459 5.709 1.00 0.00 H new ATOM 0 HD3 LYS A 156 7.888 -5.084 4.315 1.00 0.00 H new ATOM 0 HE2 LYS A 156 8.754 -2.699 6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 156 9.449 -4.306 6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 10.797 -2.881 4.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 10.097 -4.067 3.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 9.483 -2.484 3.741 1.00 0.00 H new ATOM 393 N GLY A 157 5.793 -4.505 0.731 1.00 0.00 N ATOM 394 CA GLY A 157 6.509 -4.846 -0.483 1.00 0.00 C ATOM 395 C GLY A 157 5.902 -4.151 -1.694 1.00 0.00 C ATOM 396 O GLY A 157 6.617 -3.504 -2.455 1.00 0.00 O ATOM 0 H GLY A 157 5.444 -5.322 1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 157 7.556 -4.560 -0.383 1.00 0.00 H new ATOM 0 HA3 GLY A 157 6.486 -5.926 -0.631 1.00 0.00 H new ATOM 400 N PHE A 158 4.586 -4.278 -1.872 1.00 0.00 N ATOM 401 CA PHE A 158 3.870 -3.664 -2.981 1.00 0.00 C ATOM 402 C PHE A 158 4.150 -2.154 -3.071 1.00 0.00 C ATOM 403 O PHE A 158 4.502 -1.630 -4.133 1.00 0.00 O ATOM 404 CB PHE A 158 2.374 -3.953 -2.818 1.00 0.00 C ATOM 405 CG PHE A 158 1.507 -3.133 -3.741 1.00 0.00 C ATOM 406 CD1 PHE A 158 1.730 -3.197 -5.129 1.00 0.00 C ATOM 407 CD2 PHE A 158 0.685 -2.121 -3.209 1.00 0.00 C ATOM 408 CE1 PHE A 158 1.226 -2.191 -5.964 1.00 0.00 C ATOM 409 CE2 PHE A 158 0.140 -1.148 -4.059 1.00 0.00 C ATOM 410 CZ PHE A 158 0.456 -1.151 -5.424 1.00 0.00 C ATOM 0 H PHE A 158 3.987 -4.814 -1.244 1.00 0.00 H new ATOM 0 HA PHE A 158 4.220 -4.094 -3.919 1.00 0.00 H new ATOM 0 HB2 PHE A 158 2.192 -5.012 -3.004 1.00 0.00 H new ATOM 0 HB3 PHE A 158 2.083 -3.756 -1.786 1.00 0.00 H new ATOM 0 HD1 PHE A 158 2.289 -4.020 -5.550 1.00 0.00 H new ATOM 0 HD2 PHE A 158 0.475 -2.094 -2.150 1.00 0.00 H new ATOM 0 HE1 PHE A 158 1.431 -2.217 -7.024 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -0.524 -0.395 -3.661 1.00 0.00 H new ATOM 0 HZ PHE A 158 0.106 -0.352 -6.061 1.00 0.00 H new ATOM 420 N PHE A 159 3.997 -1.451 -1.948 1.00 0.00 N ATOM 421 CA PHE A 159 4.240 -0.019 -1.887 1.00 0.00 C ATOM 422 C PHE A 159 5.705 0.265 -2.213 1.00 0.00 C ATOM 423 O PHE A 159 5.993 1.112 -3.057 1.00 0.00 O ATOM 424 CB PHE A 159 3.852 0.526 -0.510 1.00 0.00 C ATOM 425 CG PHE A 159 3.915 2.040 -0.404 1.00 0.00 C ATOM 426 CD1 PHE A 159 2.839 2.818 -0.868 1.00 0.00 C ATOM 427 CD2 PHE A 159 5.028 2.671 0.183 1.00 0.00 C ATOM 428 CE1 PHE A 159 2.850 4.214 -0.694 1.00 0.00 C ATOM 429 CE2 PHE A 159 5.004 4.055 0.423 1.00 0.00 C ATOM 430 CZ PHE A 159 3.924 4.831 -0.030 1.00 0.00 C ATOM 0 H PHE A 159 3.702 -1.861 -1.062 1.00 0.00 H new ATOM 0 HA PHE A 159 3.622 0.490 -2.627 1.00 0.00 H new ATOM 0 HB2 PHE A 159 2.840 0.197 -0.273 1.00 0.00 H new ATOM 0 HB3 PHE A 159 4.513 0.092 0.240 1.00 0.00 H new ATOM 0 HD1 PHE A 159 2.003 2.343 -1.359 1.00 0.00 H new ATOM 0 HD2 PHE A 159 5.900 2.092 0.449 1.00 0.00 H new ATOM 0 HE1 PHE A 159 2.033 4.812 -1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 159 5.818 4.523 0.957 1.00 0.00 H new ATOM 0 HZ PHE A 159 3.919 5.899 0.132 1.00 0.00 H new ATOM 440 N LYS A 160 6.628 -0.459 -1.565 1.00 0.00 N ATOM 441 CA LYS A 160 8.055 -0.287 -1.802 1.00 0.00 C ATOM 442 C LYS A 160 8.347 -0.414 -3.298 1.00 0.00 C ATOM 443 O LYS A 160 8.931 0.492 -3.877 1.00 0.00 O ATOM 444 CB LYS A 160 8.895 -1.263 -0.954 1.00 0.00 C ATOM 445 CG LYS A 160 10.050 -0.548 -0.231 1.00 0.00 C ATOM 446 CD LYS A 160 10.720 -1.411 0.840 1.00 0.00 C ATOM 447 CE LYS A 160 11.271 -2.729 0.286 1.00 0.00 C ATOM 448 NZ LYS A 160 11.950 -3.510 1.333 1.00 0.00 N ATOM 0 H LYS A 160 6.403 -1.171 -0.870 1.00 0.00 H new ATOM 0 HA LYS A 160 8.348 0.714 -1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 160 8.254 -1.750 -0.220 1.00 0.00 H new ATOM 0 HB3 LYS A 160 9.298 -2.047 -1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 160 10.797 -0.246 -0.965 1.00 0.00 H new ATOM 0 HG3 LYS A 160 9.671 0.364 0.231 1.00 0.00 H new ATOM 0 HD2 LYS A 160 11.533 -0.847 1.297 1.00 0.00 H new ATOM 0 HD3 LYS A 160 9.999 -1.627 1.628 1.00 0.00 H new ATOM 0 HE2 LYS A 160 10.456 -3.316 -0.137 1.00 0.00 H new ATOM 0 HE3 LYS A 160 11.969 -2.521 -0.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 12.311 -4.396 0.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 12.742 -2.958 1.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 11.277 -3.729 2.095 1.00 0.00 H new ATOM 462 N ARG A 161 7.913 -1.507 -3.935 1.00 0.00 N ATOM 463 CA ARG A 161 8.073 -1.724 -5.365 1.00 0.00 C ATOM 464 C ARG A 161 7.577 -0.502 -6.142 1.00 0.00 C ATOM 465 O ARG A 161 8.326 0.105 -6.908 1.00 0.00 O ATOM 466 CB ARG A 161 7.253 -2.945 -5.796 1.00 0.00 C ATOM 467 CG ARG A 161 7.860 -4.304 -5.427 1.00 0.00 C ATOM 468 CD ARG A 161 6.786 -5.396 -5.553 1.00 0.00 C ATOM 469 NE ARG A 161 6.008 -5.240 -6.795 1.00 0.00 N ATOM 470 CZ ARG A 161 4.681 -5.402 -6.922 1.00 0.00 C ATOM 471 NH1 ARG A 161 3.981 -6.061 -5.993 1.00 0.00 N ATOM 472 NH2 ARG A 161 4.068 -4.886 -7.993 1.00 0.00 N ATOM 0 H ARG A 161 7.435 -2.272 -3.459 1.00 0.00 H new ATOM 0 HA ARG A 161 9.130 -1.888 -5.576 1.00 0.00 H new ATOM 0 HB2 ARG A 161 6.262 -2.874 -5.347 1.00 0.00 H new ATOM 0 HB3 ARG A 161 7.117 -2.908 -6.877 1.00 0.00 H new ATOM 0 HG2 ARG A 161 8.701 -4.529 -6.083 1.00 0.00 H new ATOM 0 HG3 ARG A 161 8.248 -4.277 -4.409 1.00 0.00 H new ATOM 0 HD2 ARG A 161 7.259 -6.378 -5.538 1.00 0.00 H new ATOM 0 HD3 ARG A 161 6.117 -5.352 -4.694 1.00 0.00 H new ATOM 0 HE ARG A 161 6.526 -4.985 -7.636 1.00 0.00 H new ATOM 0 HH11 ARG A 161 4.455 -6.447 -5.176 1.00 0.00 H new ATOM 0 HH12 ARG A 161 2.973 -6.177 -6.101 1.00 0.00 H new ATOM 0 HH21 ARG A 161 4.608 -4.380 -8.695 1.00 0.00 H new ATOM 0 HH22 ARG A 161 3.061 -4.998 -8.108 1.00 0.00 H new ATOM 486 N THR A 162 6.301 -0.162 -5.943 1.00 0.00 N ATOM 487 CA THR A 162 5.650 0.944 -6.627 1.00 0.00 C ATOM 488 C THR A 162 6.467 2.231 -6.536 1.00 0.00 C ATOM 489 O THR A 162 6.739 2.865 -7.553 1.00 0.00 O ATOM 490 CB THR A 162 4.239 1.132 -6.055 1.00 0.00 C ATOM 491 OG1 THR A 162 3.507 -0.066 -6.232 1.00 0.00 O ATOM 492 CG2 THR A 162 3.507 2.277 -6.759 1.00 0.00 C ATOM 0 H THR A 162 5.689 -0.656 -5.294 1.00 0.00 H new ATOM 0 HA THR A 162 5.576 0.703 -7.688 1.00 0.00 H new ATOM 0 HB THR A 162 4.323 1.376 -4.996 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.721 -0.690 -5.508 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.510 2.387 -6.333 1.00 0.00 H new ATOM 0 HG22 THR A 162 4.064 3.204 -6.623 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.425 2.056 -7.823 1.00 0.00 H new ATOM 500 N VAL A 163 6.837 2.631 -5.322 1.00 0.00 N ATOM 501 CA VAL A 163 7.577 3.860 -5.086 1.00 0.00 C ATOM 502 C VAL A 163 8.989 3.770 -5.669 1.00 0.00 C ATOM 503 O VAL A 163 9.421 4.693 -6.352 1.00 0.00 O ATOM 504 CB VAL A 163 7.579 4.149 -3.584 1.00 0.00 C ATOM 505 CG1 VAL A 163 8.493 5.335 -3.239 1.00 0.00 C ATOM 506 CG2 VAL A 163 6.156 4.447 -3.094 1.00 0.00 C ATOM 0 H VAL A 163 6.629 2.106 -4.472 1.00 0.00 H new ATOM 0 HA VAL A 163 7.094 4.693 -5.597 1.00 0.00 H new ATOM 0 HB VAL A 163 7.961 3.260 -3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 163 8.470 5.512 -2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 163 9.514 5.109 -3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 163 8.145 6.226 -3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 163 6.175 4.650 -2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 163 5.764 5.317 -3.622 1.00 0.00 H new ATOM 0 HG23 VAL A 163 5.516 3.586 -3.288 1.00 0.00 H new ATOM 516 N ARG A 164 9.703 2.669 -5.421 1.00 0.00 N ATOM 517 CA ARG A 164 11.051 2.449 -5.947 1.00 0.00 C ATOM 518 C ARG A 164 11.068 2.639 -7.460 1.00 0.00 C ATOM 519 O ARG A 164 11.946 3.312 -7.998 1.00 0.00 O ATOM 520 CB ARG A 164 11.568 1.045 -5.593 1.00 0.00 C ATOM 521 CG ARG A 164 11.944 0.937 -4.113 1.00 0.00 C ATOM 522 CD ARG A 164 12.153 -0.518 -3.683 1.00 0.00 C ATOM 523 NE ARG A 164 13.384 -1.094 -4.235 1.00 0.00 N ATOM 524 CZ ARG A 164 13.909 -2.247 -3.796 1.00 0.00 C ATOM 525 NH1 ARG A 164 13.218 -3.034 -2.968 1.00 0.00 N ATOM 526 NH2 ARG A 164 15.134 -2.625 -4.168 1.00 0.00 N ATOM 0 H ARG A 164 9.359 1.900 -4.846 1.00 0.00 H new ATOM 0 HA ARG A 164 11.711 3.183 -5.484 1.00 0.00 H new ATOM 0 HB2 ARG A 164 10.803 0.305 -5.829 1.00 0.00 H new ATOM 0 HB3 ARG A 164 12.438 0.812 -6.207 1.00 0.00 H new ATOM 0 HG2 ARG A 164 12.855 1.505 -3.927 1.00 0.00 H new ATOM 0 HG3 ARG A 164 11.159 1.386 -3.505 1.00 0.00 H new ATOM 0 HD2 ARG A 164 12.187 -0.571 -2.595 1.00 0.00 H new ATOM 0 HD3 ARG A 164 11.300 -1.115 -4.005 1.00 0.00 H new ATOM 0 HE ARG A 164 13.862 -0.595 -4.986 1.00 0.00 H new ATOM 0 HH11 ARG A 164 12.284 -2.760 -2.665 1.00 0.00 H new ATOM 0 HH12 ARG A 164 13.625 -3.910 -2.639 1.00 0.00 H new ATOM 0 HH21 ARG A 164 15.682 -2.034 -4.793 1.00 0.00 H new ATOM 0 HH22 ARG A 164 15.522 -3.505 -3.827 1.00 0.00 H new ATOM 540 N LYS A 165 10.090 2.033 -8.134 1.00 0.00 N ATOM 541 CA LYS A 165 9.918 2.133 -9.576 1.00 0.00 C ATOM 542 C LYS A 165 9.350 3.508 -9.963 1.00 0.00 C ATOM 543 O LYS A 165 9.543 3.962 -11.088 1.00 0.00 O ATOM 544 CB LYS A 165 8.968 1.024 -10.034 1.00 0.00 C ATOM 545 CG LYS A 165 9.495 -0.397 -9.793 1.00 0.00 C ATOM 546 CD LYS A 165 10.380 -0.847 -10.960 1.00 0.00 C ATOM 547 CE LYS A 165 10.887 -2.282 -10.771 1.00 0.00 C ATOM 548 NZ LYS A 165 11.759 -2.409 -9.589 1.00 0.00 N ATOM 0 H LYS A 165 9.386 1.450 -7.682 1.00 0.00 H new ATOM 0 HA LYS A 165 10.886 2.021 -10.064 1.00 0.00 H new ATOM 0 HB2 LYS A 165 8.016 1.139 -9.515 1.00 0.00 H new ATOM 0 HB3 LYS A 165 8.768 1.149 -11.098 1.00 0.00 H new ATOM 0 HG2 LYS A 165 10.065 -0.427 -8.864 1.00 0.00 H new ATOM 0 HG3 LYS A 165 8.659 -1.086 -9.676 1.00 0.00 H new ATOM 0 HD2 LYS A 165 9.816 -0.781 -11.890 1.00 0.00 H new ATOM 0 HD3 LYS A 165 11.230 -0.171 -11.053 1.00 0.00 H new ATOM 0 HE2 LYS A 165 10.037 -2.956 -10.668 1.00 0.00 H new ATOM 0 HE3 LYS A 165 11.435 -2.593 -11.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 12.174 -3.362 -9.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 12.520 -1.702 -9.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 11.199 -2.253 -8.726 1.00 0.00 H new ATOM 562 N ASP A 166 8.616 4.137 -9.040 1.00 0.00 N ATOM 563 CA ASP A 166 7.925 5.413 -9.169 1.00 0.00 C ATOM 564 C ASP A 166 6.765 5.279 -10.152 1.00 0.00 C ATOM 565 O ASP A 166 6.583 6.089 -11.056 1.00 0.00 O ATOM 566 CB ASP A 166 8.897 6.555 -9.489 1.00 0.00 C ATOM 567 CG ASP A 166 8.241 7.924 -9.326 1.00 0.00 C ATOM 568 OD1 ASP A 166 7.656 8.147 -8.243 1.00 0.00 O ATOM 569 OD2 ASP A 166 8.356 8.733 -10.272 1.00 0.00 O ATOM 0 H ASP A 166 8.483 3.732 -8.114 1.00 0.00 H new ATOM 0 HA ASP A 166 7.488 5.688 -8.209 1.00 0.00 H new ATOM 0 HB2 ASP A 166 9.765 6.488 -8.833 1.00 0.00 H new ATOM 0 HB3 ASP A 166 9.261 6.446 -10.511 1.00 0.00 H new ATOM 574 N LEU A 167 5.982 4.218 -9.955 1.00 0.00 N ATOM 575 CA LEU A 167 4.842 3.869 -10.790 1.00 0.00 C ATOM 576 C LEU A 167 3.540 4.492 -10.281 1.00 0.00 C ATOM 577 O LEU A 167 3.490 5.182 -9.260 1.00 0.00 O ATOM 578 CB LEU A 167 4.736 2.335 -10.879 1.00 0.00 C ATOM 579 CG LEU A 167 5.914 1.710 -11.640 1.00 0.00 C ATOM 580 CD1 LEU A 167 5.995 0.209 -11.340 1.00 0.00 C ATOM 581 CD2 LEU A 167 5.792 1.912 -13.156 1.00 0.00 C ATOM 0 H LEU A 167 6.131 3.562 -9.188 1.00 0.00 H new ATOM 0 HA LEU A 167 5.002 4.279 -11.787 1.00 0.00 H new ATOM 0 HB2 LEU A 167 4.694 1.917 -9.873 1.00 0.00 H new ATOM 0 HB3 LEU A 167 3.803 2.066 -11.375 1.00 0.00 H new ATOM 0 HG LEU A 167 6.820 2.213 -11.301 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.833 -0.226 -11.884 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.140 0.059 -10.270 1.00 0.00 H new ATOM 0 HD13 LEU A 167 5.070 -0.275 -11.652 1.00 0.00 H new ATOM 0 HD21 LEU A 167 6.647 1.454 -13.654 1.00 0.00 H new ATOM 0 HD22 LEU A 167 4.873 1.447 -13.512 1.00 0.00 H new ATOM 0 HD23 LEU A 167 5.770 2.978 -13.380 1.00 0.00 H new ATOM 593 N THR A 168 2.470 4.228 -11.029 1.00 0.00 N ATOM 594 CA THR A 168 1.086 4.612 -10.816 1.00 0.00 C ATOM 595 C THR A 168 0.297 3.615 -11.667 1.00 0.00 C ATOM 596 O THR A 168 0.857 3.053 -12.609 1.00 0.00 O ATOM 597 CB THR A 168 0.869 6.085 -11.202 1.00 0.00 C ATOM 598 OG1 THR A 168 1.540 6.910 -10.270 1.00 0.00 O ATOM 599 CG2 THR A 168 -0.607 6.495 -11.184 1.00 0.00 C ATOM 0 H THR A 168 2.567 3.684 -11.886 1.00 0.00 H new ATOM 0 HA THR A 168 0.763 4.567 -9.776 1.00 0.00 H new ATOM 0 HB THR A 168 1.252 6.202 -12.216 1.00 0.00 H new ATOM 0 HG1 THR A 168 2.161 6.368 -9.741 1.00 0.00 H new ATOM 0 HG21 THR A 168 -0.697 7.544 -11.465 1.00 0.00 H new ATOM 0 HG22 THR A 168 -1.164 5.881 -11.892 1.00 0.00 H new ATOM 0 HG23 THR A 168 -1.012 6.352 -10.182 1.00 0.00 H new ATOM 607 N TYR A 169 -0.960 3.342 -11.310 1.00 0.00 N ATOM 608 CA TYR A 169 -1.777 2.330 -11.965 1.00 0.00 C ATOM 609 C TYR A 169 -3.220 2.814 -12.058 1.00 0.00 C ATOM 610 O TYR A 169 -3.524 3.972 -11.774 1.00 0.00 O ATOM 611 CB TYR A 169 -1.673 1.019 -11.164 1.00 0.00 C ATOM 612 CG TYR A 169 -0.301 0.695 -10.603 1.00 0.00 C ATOM 613 CD1 TYR A 169 0.683 0.108 -11.420 1.00 0.00 C ATOM 614 CD2 TYR A 169 0.001 1.010 -9.265 1.00 0.00 C ATOM 615 CE1 TYR A 169 1.931 -0.241 -10.874 1.00 0.00 C ATOM 616 CE2 TYR A 169 1.227 0.612 -8.711 1.00 0.00 C ATOM 617 CZ TYR A 169 2.183 -0.037 -9.508 1.00 0.00 C ATOM 618 OH TYR A 169 3.344 -0.490 -8.956 1.00 0.00 O ATOM 0 H TYR A 169 -1.440 3.825 -10.550 1.00 0.00 H new ATOM 0 HA TYR A 169 -1.422 2.150 -12.980 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -2.382 1.063 -10.337 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -1.985 0.196 -11.807 1.00 0.00 H new ATOM 0 HD1 TYR A 169 0.480 -0.074 -12.465 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -0.711 1.558 -8.665 1.00 0.00 H new ATOM 0 HE1 TYR A 169 2.696 -0.666 -11.506 1.00 0.00 H new ATOM 0 HE2 TYR A 169 1.436 0.805 -7.669 1.00 0.00 H new ATOM 0 HH TYR A 169 3.282 -0.443 -7.979 1.00 0.00 H new ATOM 628 N THR A 170 -4.119 1.912 -12.442 1.00 0.00 N ATOM 629 CA THR A 170 -5.553 2.163 -12.530 1.00 0.00 C ATOM 630 C THR A 170 -6.286 0.852 -12.214 1.00 0.00 C ATOM 631 O THR A 170 -5.694 -0.220 -12.328 1.00 0.00 O ATOM 632 CB THR A 170 -5.881 2.746 -13.915 1.00 0.00 C ATOM 633 OG1 THR A 170 -5.026 3.843 -14.173 1.00 0.00 O ATOM 634 CG2 THR A 170 -7.326 3.246 -14.024 1.00 0.00 C ATOM 0 H THR A 170 -3.863 0.961 -12.707 1.00 0.00 H new ATOM 0 HA THR A 170 -5.888 2.904 -11.804 1.00 0.00 H new ATOM 0 HB THR A 170 -5.742 1.941 -14.636 1.00 0.00 H new ATOM 0 HG1 THR A 170 -5.231 4.217 -15.056 1.00 0.00 H new ATOM 0 HG21 THR A 170 -7.498 3.646 -15.023 1.00 0.00 H new ATOM 0 HG22 THR A 170 -8.012 2.419 -13.841 1.00 0.00 H new ATOM 0 HG23 THR A 170 -7.497 4.029 -13.285 1.00 0.00 H new ATOM 642 N CYS A 171 -7.558 0.940 -11.816 1.00 0.00 N ATOM 643 CA CYS A 171 -8.459 -0.167 -11.508 1.00 0.00 C ATOM 644 C CYS A 171 -9.810 0.244 -12.095 1.00 0.00 C ATOM 645 O CYS A 171 -10.006 1.423 -12.387 1.00 0.00 O ATOM 646 CB CYS A 171 -8.551 -0.358 -9.983 1.00 0.00 C ATOM 647 SG CYS A 171 -9.588 -1.707 -9.336 1.00 0.00 S ATOM 0 H CYS A 171 -8.012 1.845 -11.693 1.00 0.00 H new ATOM 0 HA CYS A 171 -8.117 -1.115 -11.923 1.00 0.00 H new ATOM 0 HB2 CYS A 171 -7.539 -0.508 -9.606 1.00 0.00 H new ATOM 0 HB3 CYS A 171 -8.916 0.575 -9.554 1.00 0.00 H new ATOM 0 HG CYS A 171 -9.023 -2.222 -8.284 1.00 0.00 H new ATOM 652 N ARG A 172 -10.736 -0.702 -12.274 1.00 0.00 N ATOM 653 CA ARG A 172 -12.063 -0.378 -12.786 1.00 0.00 C ATOM 654 C ARG A 172 -12.756 0.571 -11.802 1.00 0.00 C ATOM 655 O ARG A 172 -13.351 1.571 -12.193 1.00 0.00 O ATOM 656 CB ARG A 172 -12.883 -1.653 -13.006 1.00 0.00 C ATOM 657 CG ARG A 172 -12.224 -2.575 -14.042 1.00 0.00 C ATOM 658 CD ARG A 172 -13.113 -3.781 -14.363 1.00 0.00 C ATOM 659 NE ARG A 172 -14.341 -3.372 -15.058 1.00 0.00 N ATOM 660 CZ ARG A 172 -15.296 -4.213 -15.478 1.00 0.00 C ATOM 661 NH1 ARG A 172 -15.182 -5.528 -15.259 1.00 0.00 N ATOM 662 NH2 ARG A 172 -16.365 -3.729 -16.118 1.00 0.00 N ATOM 0 H ARG A 172 -10.589 -1.691 -12.072 1.00 0.00 H new ATOM 0 HA ARG A 172 -11.974 0.117 -13.753 1.00 0.00 H new ATOM 0 HB2 ARG A 172 -12.991 -2.185 -12.061 1.00 0.00 H new ATOM 0 HB3 ARG A 172 -13.886 -1.388 -13.339 1.00 0.00 H new ATOM 0 HG2 ARG A 172 -12.025 -2.015 -14.955 1.00 0.00 H new ATOM 0 HG3 ARG A 172 -11.262 -2.921 -13.664 1.00 0.00 H new ATOM 0 HD2 ARG A 172 -12.561 -4.487 -14.983 1.00 0.00 H new ATOM 0 HD3 ARG A 172 -13.371 -4.300 -13.440 1.00 0.00 H new ATOM 0 HE ARG A 172 -14.476 -2.376 -15.233 1.00 0.00 H new ATOM 0 HH11 ARG A 172 -14.365 -5.895 -14.770 1.00 0.00 H new ATOM 0 HH12 ARG A 172 -15.912 -6.164 -15.581 1.00 0.00 H new ATOM 0 HH21 ARG A 172 -16.449 -2.726 -16.284 1.00 0.00 H new ATOM 0 HH22 ARG A 172 -17.096 -4.363 -16.441 1.00 0.00 H new ATOM 676 N ASP A 173 -12.651 0.249 -10.512 1.00 0.00 N ATOM 677 CA ASP A 173 -13.187 1.067 -9.438 1.00 0.00 C ATOM 678 C ASP A 173 -12.227 2.223 -9.166 1.00 0.00 C ATOM 679 O ASP A 173 -11.044 2.153 -9.498 1.00 0.00 O ATOM 680 CB ASP A 173 -13.328 0.233 -8.161 1.00 0.00 C ATOM 681 CG ASP A 173 -14.162 -1.025 -8.362 1.00 0.00 C ATOM 682 OD1 ASP A 173 -13.564 -2.032 -8.804 1.00 0.00 O ATOM 683 OD2 ASP A 173 -15.374 -0.959 -8.068 1.00 0.00 O ATOM 0 H ASP A 173 -12.185 -0.598 -10.186 1.00 0.00 H new ATOM 0 HA ASP A 173 -14.166 1.446 -9.732 1.00 0.00 H new ATOM 0 HB2 ASP A 173 -12.337 -0.048 -7.806 1.00 0.00 H new ATOM 0 HB3 ASP A 173 -13.784 0.845 -7.383 1.00 0.00 H new ATOM 688 N ASN A 174 -12.721 3.262 -8.493 1.00 0.00 N ATOM 689 CA ASN A 174 -11.888 4.378 -8.065 1.00 0.00 C ATOM 690 C ASN A 174 -11.134 3.934 -6.808 1.00 0.00 C ATOM 691 O ASN A 174 -11.305 2.808 -6.346 1.00 0.00 O ATOM 692 CB ASN A 174 -12.761 5.617 -7.803 1.00 0.00 C ATOM 693 CG ASN A 174 -13.025 6.434 -9.068 1.00 0.00 C ATOM 694 OD1 ASN A 174 -12.898 7.652 -9.055 1.00 0.00 O ATOM 695 ND2 ASN A 174 -13.381 5.783 -10.173 1.00 0.00 N ATOM 0 H ASN A 174 -13.703 3.351 -8.232 1.00 0.00 H new ATOM 0 HA ASN A 174 -11.171 4.655 -8.838 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -13.712 5.301 -7.375 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -12.272 6.250 -7.062 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -13.555 6.299 -11.035 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -13.480 4.768 -10.157 1.00 0.00 H new ATOM 702 N LYS A 175 -10.300 4.815 -6.247 1.00 0.00 N ATOM 703 CA LYS A 175 -9.506 4.548 -5.051 1.00 0.00 C ATOM 704 C LYS A 175 -10.289 3.817 -3.950 1.00 0.00 C ATOM 705 O LYS A 175 -9.767 2.901 -3.315 1.00 0.00 O ATOM 706 CB LYS A 175 -8.869 5.852 -4.541 1.00 0.00 C ATOM 707 CG LYS A 175 -9.875 6.989 -4.285 1.00 0.00 C ATOM 708 CD LYS A 175 -9.223 8.217 -3.633 1.00 0.00 C ATOM 709 CE LYS A 175 -8.043 8.798 -4.423 1.00 0.00 C ATOM 710 NZ LYS A 175 -8.388 9.073 -5.830 1.00 0.00 N ATOM 0 H LYS A 175 -10.157 5.753 -6.622 1.00 0.00 H new ATOM 0 HA LYS A 175 -8.711 3.859 -5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 175 -8.331 5.643 -3.616 1.00 0.00 H new ATOM 0 HB3 LYS A 175 -8.132 6.192 -5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 175 -10.333 7.284 -5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 175 -10.676 6.623 -3.643 1.00 0.00 H new ATOM 0 HD2 LYS A 175 -9.979 8.992 -3.509 1.00 0.00 H new ATOM 0 HD3 LYS A 175 -8.879 7.945 -2.635 1.00 0.00 H new ATOM 0 HE2 LYS A 175 -7.710 9.720 -3.947 1.00 0.00 H new ATOM 0 HE3 LYS A 175 -7.207 8.100 -4.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 175 -8.069 10.029 -6.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 175 -7.920 8.377 -6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 175 -9.418 9.007 -5.954 1.00 0.00 H new ATOM 724 N ASP A 176 -11.554 4.198 -3.744 1.00 0.00 N ATOM 725 CA ASP A 176 -12.438 3.599 -2.751 1.00 0.00 C ATOM 726 C ASP A 176 -13.002 2.276 -3.277 1.00 0.00 C ATOM 727 O ASP A 176 -14.208 2.108 -3.428 1.00 0.00 O ATOM 728 CB ASP A 176 -13.543 4.597 -2.374 1.00 0.00 C ATOM 729 CG ASP A 176 -14.447 4.066 -1.262 1.00 0.00 C ATOM 730 OD1 ASP A 176 -13.906 3.400 -0.353 1.00 0.00 O ATOM 731 OD2 ASP A 176 -15.660 4.360 -1.330 1.00 0.00 O ATOM 0 H ASP A 176 -11.997 4.947 -4.276 1.00 0.00 H new ATOM 0 HA ASP A 176 -11.878 3.370 -1.844 1.00 0.00 H new ATOM 0 HB2 ASP A 176 -13.089 5.535 -2.054 1.00 0.00 H new ATOM 0 HB3 ASP A 176 -14.146 4.819 -3.255 1.00 0.00 H new ATOM 736 N CYS A 177 -12.101 1.341 -3.572 1.00 0.00 N ATOM 737 CA CYS A 177 -12.422 0.016 -4.080 1.00 0.00 C ATOM 738 C CYS A 177 -12.643 -0.937 -2.902 1.00 0.00 C ATOM 739 O CYS A 177 -12.318 -0.613 -1.759 1.00 0.00 O ATOM 740 CB CYS A 177 -11.270 -0.420 -4.989 1.00 0.00 C ATOM 741 SG CYS A 177 -11.425 -1.946 -5.956 1.00 0.00 S ATOM 0 H CYS A 177 -11.099 1.493 -3.459 1.00 0.00 H new ATOM 0 HA CYS A 177 -13.343 0.012 -4.663 1.00 0.00 H new ATOM 0 HB2 CYS A 177 -11.081 0.393 -5.690 1.00 0.00 H new ATOM 0 HB3 CYS A 177 -10.381 -0.517 -4.366 1.00 0.00 H new ATOM 0 HG CYS A 177 -10.243 -2.438 -6.182 1.00 0.00 H new ATOM 746 N LEU A 178 -13.193 -2.121 -3.180 1.00 0.00 N ATOM 747 CA LEU A 178 -13.470 -3.147 -2.183 1.00 0.00 C ATOM 748 C LEU A 178 -12.164 -3.795 -1.706 1.00 0.00 C ATOM 749 O LEU A 178 -11.892 -4.963 -1.992 1.00 0.00 O ATOM 750 CB LEU A 178 -14.436 -4.184 -2.780 1.00 0.00 C ATOM 751 CG LEU A 178 -15.773 -3.593 -3.262 1.00 0.00 C ATOM 752 CD1 LEU A 178 -16.625 -4.716 -3.866 1.00 0.00 C ATOM 753 CD2 LEU A 178 -16.554 -2.924 -2.124 1.00 0.00 C ATOM 0 H LEU A 178 -13.462 -2.395 -4.125 1.00 0.00 H new ATOM 0 HA LEU A 178 -13.944 -2.697 -1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 178 -13.947 -4.680 -3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 178 -14.638 -4.950 -2.031 1.00 0.00 H new ATOM 0 HG LEU A 178 -15.552 -2.828 -4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 178 -17.575 -4.307 -4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 178 -16.095 -5.162 -4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 178 -16.811 -5.478 -3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 178 -17.490 -2.522 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 178 -16.769 -3.659 -1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 178 -15.959 -2.114 -1.701 1.00 0.00 H new ATOM 765 N ILE A 179 -11.333 -3.039 -0.983 1.00 0.00 N ATOM 766 CA ILE A 179 -10.060 -3.523 -0.461 1.00 0.00 C ATOM 767 C ILE A 179 -10.306 -4.367 0.792 1.00 0.00 C ATOM 768 O ILE A 179 -9.908 -4.022 1.901 1.00 0.00 O ATOM 769 CB ILE A 179 -9.048 -2.370 -0.297 1.00 0.00 C ATOM 770 CG1 ILE A 179 -8.875 -1.583 -1.611 1.00 0.00 C ATOM 771 CG2 ILE A 179 -7.666 -2.874 0.148 1.00 0.00 C ATOM 772 CD1 ILE A 179 -8.435 -2.443 -2.801 1.00 0.00 C ATOM 0 H ILE A 179 -11.530 -2.067 -0.744 1.00 0.00 H new ATOM 0 HA ILE A 179 -9.582 -4.191 -1.178 1.00 0.00 H new ATOM 0 HB ILE A 179 -9.458 -1.719 0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 179 -9.818 -1.096 -1.857 1.00 0.00 H new ATOM 0 HG13 ILE A 179 -8.140 -0.793 -1.455 1.00 0.00 H new ATOM 0 HG21 ILE A 179 -6.986 -2.028 0.251 1.00 0.00 H new ATOM 0 HG22 ILE A 179 -7.756 -3.385 1.106 1.00 0.00 H new ATOM 0 HG23 ILE A 179 -7.274 -3.566 -0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 179 -8.336 -1.815 -3.687 1.00 0.00 H new ATOM 0 HD12 ILE A 179 -7.476 -2.910 -2.578 1.00 0.00 H new ATOM 0 HD13 ILE A 179 -9.180 -3.217 -2.986 1.00 0.00 H new ATOM 784 N ASP A 180 -10.974 -5.503 0.586 1.00 0.00 N ATOM 785 CA ASP A 180 -11.253 -6.483 1.620 1.00 0.00 C ATOM 786 C ASP A 180 -10.021 -7.376 1.782 1.00 0.00 C ATOM 787 O ASP A 180 -9.064 -7.275 1.015 1.00 0.00 O ATOM 788 CB ASP A 180 -12.496 -7.298 1.239 1.00 0.00 C ATOM 789 CG ASP A 180 -13.762 -6.451 1.321 1.00 0.00 C ATOM 790 OD1 ASP A 180 -13.997 -5.680 0.365 1.00 0.00 O ATOM 791 OD2 ASP A 180 -14.468 -6.587 2.343 1.00 0.00 O ATOM 0 H ASP A 180 -11.342 -5.767 -0.328 1.00 0.00 H new ATOM 0 HA ASP A 180 -11.461 -5.994 2.571 1.00 0.00 H new ATOM 0 HB2 ASP A 180 -12.382 -7.688 0.227 1.00 0.00 H new ATOM 0 HB3 ASP A 180 -12.587 -8.157 1.903 1.00 0.00 H new ATOM 921 N CYS A 187 -4.882 -5.373 -7.661 1.00 0.00 N ATOM 922 CA CYS A 187 -5.502 -4.107 -7.258 1.00 0.00 C ATOM 923 C CYS A 187 -4.482 -3.082 -6.725 1.00 0.00 C ATOM 924 O CYS A 187 -4.662 -2.472 -5.669 1.00 0.00 O ATOM 925 CB CYS A 187 -6.651 -4.389 -6.285 1.00 0.00 C ATOM 926 SG CYS A 187 -7.888 -3.073 -6.259 1.00 0.00 S ATOM 0 HA CYS A 187 -5.921 -3.628 -8.143 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -7.132 -5.328 -6.561 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -6.247 -4.521 -5.281 1.00 0.00 H new ATOM 0 HG CYS A 187 -8.749 -3.306 -5.314 1.00 0.00 H new ATOM 931 N GLN A 188 -3.415 -2.882 -7.501 1.00 0.00 N ATOM 932 CA GLN A 188 -2.293 -2.004 -7.211 1.00 0.00 C ATOM 933 C GLN A 188 -2.743 -0.561 -6.976 1.00 0.00 C ATOM 934 O GLN A 188 -2.454 0.017 -5.930 1.00 0.00 O ATOM 935 CB GLN A 188 -1.262 -2.116 -8.348 1.00 0.00 C ATOM 936 CG GLN A 188 -0.721 -3.551 -8.454 1.00 0.00 C ATOM 937 CD GLN A 188 0.566 -3.692 -9.257 1.00 0.00 C ATOM 938 OE1 GLN A 188 1.487 -4.399 -8.845 1.00 0.00 O ATOM 939 NE2 GLN A 188 0.645 -3.044 -10.412 1.00 0.00 N ATOM 0 H GLN A 188 -3.310 -3.358 -8.397 1.00 0.00 H new ATOM 0 HA GLN A 188 -1.823 -2.320 -6.280 1.00 0.00 H new ATOM 0 HB2 GLN A 188 -1.722 -1.825 -9.292 1.00 0.00 H new ATOM 0 HB3 GLN A 188 -0.439 -1.424 -8.168 1.00 0.00 H new ATOM 0 HG2 GLN A 188 -0.549 -3.934 -7.448 1.00 0.00 H new ATOM 0 HG3 GLN A 188 -1.487 -4.180 -8.908 1.00 0.00 H new ATOM 0 HE21 GLN A 188 -0.134 -2.466 -10.727 1.00 0.00 H new ATOM 0 HE22 GLN A 188 1.485 -3.124 -10.985 1.00 0.00 H new ATOM 948 N TYR A 189 -3.437 0.024 -7.957 1.00 0.00 N ATOM 949 CA TYR A 189 -3.905 1.407 -7.913 1.00 0.00 C ATOM 950 C TYR A 189 -4.536 1.762 -6.573 1.00 0.00 C ATOM 951 O TYR A 189 -4.088 2.665 -5.876 1.00 0.00 O ATOM 952 CB TYR A 189 -4.943 1.631 -9.021 1.00 0.00 C ATOM 953 CG TYR A 189 -5.628 2.987 -8.987 1.00 0.00 C ATOM 954 CD1 TYR A 189 -4.870 4.174 -8.978 1.00 0.00 C ATOM 955 CD2 TYR A 189 -7.030 3.064 -8.900 1.00 0.00 C ATOM 956 CE1 TYR A 189 -5.511 5.420 -8.873 1.00 0.00 C ATOM 957 CE2 TYR A 189 -7.667 4.307 -8.775 1.00 0.00 C ATOM 958 CZ TYR A 189 -6.908 5.485 -8.727 1.00 0.00 C ATOM 959 OH TYR A 189 -7.511 6.651 -8.362 1.00 0.00 O ATOM 0 H TYR A 189 -3.692 -0.461 -8.817 1.00 0.00 H new ATOM 0 HA TYR A 189 -3.035 2.048 -8.057 1.00 0.00 H new ATOM 0 HB2 TYR A 189 -4.454 1.511 -9.988 1.00 0.00 H new ATOM 0 HB3 TYR A 189 -5.704 0.853 -8.950 1.00 0.00 H new ATOM 0 HD1 TYR A 189 -3.794 4.126 -9.052 1.00 0.00 H new ATOM 0 HD2 TYR A 189 -7.620 2.160 -8.930 1.00 0.00 H new ATOM 0 HE1 TYR A 189 -4.930 6.330 -8.904 1.00 0.00 H new ATOM 0 HE2 TYR A 189 -8.744 4.357 -8.716 1.00 0.00 H new ATOM 0 HH TYR A 189 -6.901 7.172 -7.799 1.00 0.00 H new ATOM 969 N CYS A 190 -5.611 1.060 -6.241 1.00 0.00 N ATOM 970 CA CYS A 190 -6.386 1.316 -5.050 1.00 0.00 C ATOM 971 C CYS A 190 -5.532 1.163 -3.796 1.00 0.00 C ATOM 972 O CYS A 190 -5.539 2.057 -2.956 1.00 0.00 O ATOM 973 CB CYS A 190 -7.580 0.377 -5.066 1.00 0.00 C ATOM 974 SG CYS A 190 -8.613 0.549 -6.544 1.00 0.00 S ATOM 0 H CYS A 190 -5.968 0.288 -6.804 1.00 0.00 H new ATOM 0 HA CYS A 190 -6.743 2.346 -5.035 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -7.225 -0.651 -4.998 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -8.190 0.562 -4.182 1.00 0.00 H new ATOM 0 HG CYS A 190 -8.652 -0.584 -7.180 1.00 0.00 H new ATOM 979 N ARG A 191 -4.775 0.069 -3.658 1.00 0.00 N ATOM 980 CA ARG A 191 -3.919 -0.078 -2.485 1.00 0.00 C ATOM 981 C ARG A 191 -2.915 1.076 -2.389 1.00 0.00 C ATOM 982 O ARG A 191 -2.677 1.598 -1.302 1.00 0.00 O ATOM 983 CB ARG A 191 -3.190 -1.421 -2.487 1.00 0.00 C ATOM 984 CG ARG A 191 -4.125 -2.594 -2.160 1.00 0.00 C ATOM 985 CD ARG A 191 -3.287 -3.803 -1.725 1.00 0.00 C ATOM 986 NE ARG A 191 -2.208 -4.058 -2.687 1.00 0.00 N ATOM 987 CZ ARG A 191 -2.372 -4.618 -3.890 1.00 0.00 C ATOM 988 NH1 ARG A 191 -3.520 -5.230 -4.203 1.00 0.00 N ATOM 989 NH2 ARG A 191 -1.375 -4.546 -4.774 1.00 0.00 N ATOM 0 H ARG A 191 -4.739 -0.703 -4.323 1.00 0.00 H new ATOM 0 HA ARG A 191 -4.564 -0.048 -1.607 1.00 0.00 H new ATOM 0 HB2 ARG A 191 -2.736 -1.583 -3.464 1.00 0.00 H new ATOM 0 HB3 ARG A 191 -2.379 -1.392 -1.759 1.00 0.00 H new ATOM 0 HG2 ARG A 191 -4.817 -2.312 -1.367 1.00 0.00 H new ATOM 0 HG3 ARG A 191 -4.727 -2.849 -3.032 1.00 0.00 H new ATOM 0 HD2 ARG A 191 -2.865 -3.623 -0.736 1.00 0.00 H new ATOM 0 HD3 ARG A 191 -3.924 -4.683 -1.644 1.00 0.00 H new ATOM 0 HE ARG A 191 -1.262 -3.788 -2.418 1.00 0.00 H new ATOM 0 HH11 ARG A 191 -4.278 -5.272 -3.522 1.00 0.00 H new ATOM 0 HH12 ARG A 191 -3.637 -5.655 -5.123 1.00 0.00 H new ATOM 0 HH21 ARG A 191 -0.507 -4.070 -4.527 1.00 0.00 H new ATOM 0 HH22 ARG A 191 -1.480 -4.967 -5.697 1.00 0.00 H new ATOM 1003 N TYR A 192 -2.324 1.484 -3.513 1.00 0.00 N ATOM 1004 CA TYR A 192 -1.366 2.582 -3.556 1.00 0.00 C ATOM 1005 C TYR A 192 -2.045 3.876 -3.095 1.00 0.00 C ATOM 1006 O TYR A 192 -1.552 4.566 -2.206 1.00 0.00 O ATOM 1007 CB TYR A 192 -0.797 2.677 -4.978 1.00 0.00 C ATOM 1008 CG TYR A 192 0.177 3.802 -5.268 1.00 0.00 C ATOM 1009 CD1 TYR A 192 1.265 4.048 -4.407 1.00 0.00 C ATOM 1010 CD2 TYR A 192 0.133 4.428 -6.528 1.00 0.00 C ATOM 1011 CE1 TYR A 192 2.332 4.859 -4.833 1.00 0.00 C ATOM 1012 CE2 TYR A 192 1.188 5.258 -6.940 1.00 0.00 C ATOM 1013 CZ TYR A 192 2.314 5.421 -6.122 1.00 0.00 C ATOM 1014 OH TYR A 192 3.433 6.020 -6.622 1.00 0.00 O ATOM 0 H TYR A 192 -2.500 1.057 -4.423 1.00 0.00 H new ATOM 0 HA TYR A 192 -0.533 2.407 -2.875 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -0.299 1.734 -5.205 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -1.634 2.770 -5.670 1.00 0.00 H new ATOM 0 HD1 TYR A 192 1.279 3.613 -3.419 1.00 0.00 H new ATOM 0 HD2 TYR A 192 -0.714 4.270 -7.179 1.00 0.00 H new ATOM 0 HE1 TYR A 192 3.164 5.050 -4.171 1.00 0.00 H new ATOM 0 HE2 TYR A 192 1.132 5.771 -7.888 1.00 0.00 H new ATOM 0 HH TYR A 192 3.549 5.765 -7.561 1.00 0.00 H new ATOM 1024 N GLN A 193 -3.202 4.192 -3.680 1.00 0.00 N ATOM 1025 CA GLN A 193 -3.993 5.353 -3.313 1.00 0.00 C ATOM 1026 C GLN A 193 -4.318 5.327 -1.819 1.00 0.00 C ATOM 1027 O GLN A 193 -4.128 6.327 -1.134 1.00 0.00 O ATOM 1028 CB GLN A 193 -5.270 5.369 -4.160 1.00 0.00 C ATOM 1029 CG GLN A 193 -5.012 5.630 -5.650 1.00 0.00 C ATOM 1030 CD GLN A 193 -4.857 7.105 -6.002 1.00 0.00 C ATOM 1031 OE1 GLN A 193 -5.763 7.712 -6.568 1.00 0.00 O ATOM 1032 NE2 GLN A 193 -3.701 7.695 -5.714 1.00 0.00 N ATOM 0 H GLN A 193 -3.615 3.638 -4.430 1.00 0.00 H new ATOM 0 HA GLN A 193 -3.427 6.264 -3.507 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -5.782 4.413 -4.050 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -5.942 6.136 -3.776 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -4.109 5.098 -5.951 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -5.836 5.213 -6.230 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -2.964 7.170 -5.244 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -3.551 8.673 -5.963 1.00 0.00 H new ATOM 1041 N LYS A 194 -4.786 4.187 -1.306 1.00 0.00 N ATOM 1042 CA LYS A 194 -5.099 4.005 0.104 1.00 0.00 C ATOM 1043 C LYS A 194 -3.850 4.287 0.948 1.00 0.00 C ATOM 1044 O LYS A 194 -3.902 5.061 1.901 1.00 0.00 O ATOM 1045 CB LYS A 194 -5.631 2.578 0.318 1.00 0.00 C ATOM 1046 CG LYS A 194 -7.039 2.376 -0.263 1.00 0.00 C ATOM 1047 CD LYS A 194 -8.136 2.821 0.714 1.00 0.00 C ATOM 1048 CE LYS A 194 -9.529 2.797 0.074 1.00 0.00 C ATOM 1049 NZ LYS A 194 -9.887 1.465 -0.445 1.00 0.00 N ATOM 0 H LYS A 194 -4.959 3.355 -1.871 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.872 4.705 0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -4.946 1.867 -0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -5.648 2.357 1.385 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -7.132 2.939 -1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -7.181 1.324 -0.512 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -8.128 2.169 1.587 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -7.918 3.829 1.067 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -10.270 3.108 0.811 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -9.565 3.522 -0.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -10.856 1.227 -0.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -9.831 1.470 -1.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -9.227 0.756 -0.066 1.00 0.00 H new ATOM 1063 N ALA A 195 -2.718 3.674 0.590 1.00 0.00 N ATOM 1064 CA ALA A 195 -1.453 3.864 1.280 1.00 0.00 C ATOM 1065 C ALA A 195 -1.115 5.353 1.378 1.00 0.00 C ATOM 1066 O ALA A 195 -0.812 5.871 2.454 1.00 0.00 O ATOM 1067 CB ALA A 195 -0.349 3.098 0.545 1.00 0.00 C ATOM 0 H ALA A 195 -2.661 3.027 -0.196 1.00 0.00 H new ATOM 0 HA ALA A 195 -1.534 3.474 2.295 1.00 0.00 H new ATOM 0 HB1 ALA A 195 0.600 3.241 1.063 1.00 0.00 H new ATOM 0 HB2 ALA A 195 -0.595 2.036 0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 195 -0.265 3.471 -0.476 1.00 0.00 H new ATOM 1073 N LEU A 196 -1.181 6.054 0.244 1.00 0.00 N ATOM 1074 CA LEU A 196 -0.902 7.476 0.212 1.00 0.00 C ATOM 1075 C LEU A 196 -1.898 8.234 1.091 1.00 0.00 C ATOM 1076 O LEU A 196 -1.493 9.041 1.923 1.00 0.00 O ATOM 1077 CB LEU A 196 -0.907 7.972 -1.239 1.00 0.00 C ATOM 1078 CG LEU A 196 0.237 7.386 -2.091 1.00 0.00 C ATOM 1079 CD1 LEU A 196 -0.015 7.709 -3.567 1.00 0.00 C ATOM 1080 CD2 LEU A 196 1.608 7.936 -1.679 1.00 0.00 C ATOM 0 H LEU A 196 -1.426 5.652 -0.661 1.00 0.00 H new ATOM 0 HA LEU A 196 0.090 7.666 0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -1.861 7.715 -1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -0.833 9.059 -1.244 1.00 0.00 H new ATOM 0 HG LEU A 196 0.251 6.308 -1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 196 0.792 7.296 -4.173 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -0.963 7.271 -3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -0.053 8.790 -3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 196 2.381 7.494 -2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 196 1.617 9.019 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 196 1.802 7.686 -0.636 1.00 0.00 H new ATOM 1092 N ALA A 197 -3.192 7.956 0.928 1.00 0.00 N ATOM 1093 CA ALA A 197 -4.261 8.584 1.694 1.00 0.00 C ATOM 1094 C ALA A 197 -4.004 8.485 3.198 1.00 0.00 C ATOM 1095 O ALA A 197 -4.097 9.490 3.901 1.00 0.00 O ATOM 1096 CB ALA A 197 -5.615 7.976 1.315 1.00 0.00 C ATOM 0 H ALA A 197 -3.529 7.276 0.247 1.00 0.00 H new ATOM 0 HA ALA A 197 -4.282 9.645 1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -6.404 8.455 1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -5.800 8.133 0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -5.606 6.907 1.528 1.00 0.00 H new ATOM 1102 N MET A 198 -3.673 7.290 3.700 1.00 0.00 N ATOM 1103 CA MET A 198 -3.394 7.098 5.117 1.00 0.00 C ATOM 1104 C MET A 198 -2.018 7.631 5.536 1.00 0.00 C ATOM 1105 O MET A 198 -1.707 7.633 6.726 1.00 0.00 O ATOM 1106 CB MET A 198 -3.656 5.644 5.536 1.00 0.00 C ATOM 1107 CG MET A 198 -5.157 5.448 5.803 1.00 0.00 C ATOM 1108 SD MET A 198 -6.273 5.398 4.379 1.00 0.00 S ATOM 1109 CE MET A 198 -6.031 3.683 3.888 1.00 0.00 C ATOM 0 H MET A 198 -3.593 6.442 3.139 1.00 0.00 H new ATOM 0 HA MET A 198 -4.098 7.713 5.678 1.00 0.00 H new ATOM 0 HB2 MET A 198 -3.324 4.963 4.752 1.00 0.00 H new ATOM 0 HB3 MET A 198 -3.082 5.404 6.431 1.00 0.00 H new ATOM 0 HG2 MET A 198 -5.279 4.517 6.356 1.00 0.00 H new ATOM 0 HG3 MET A 198 -5.488 6.254 6.459 1.00 0.00 H new ATOM 0 HE1 MET A 198 -6.723 3.434 3.083 1.00 0.00 H new ATOM 0 HE2 MET A 198 -5.007 3.545 3.542 1.00 0.00 H new ATOM 0 HE3 MET A 198 -6.217 3.031 4.741 1.00 0.00 H new ATOM 1119 N GLY A 199 -1.217 8.145 4.599 1.00 0.00 N ATOM 1120 CA GLY A 199 0.026 8.821 4.912 1.00 0.00 C ATOM 1121 C GLY A 199 1.252 7.923 4.957 1.00 0.00 C ATOM 1122 O GLY A 199 2.171 8.215 5.720 1.00 0.00 O ATOM 0 H GLY A 199 -1.421 8.099 3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 199 0.194 9.603 4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 199 -0.080 9.315 5.878 1.00 0.00 H new ATOM 1126 N MET A 200 1.321 6.874 4.128 1.00 0.00 N ATOM 1127 CA MET A 200 2.549 6.098 4.042 1.00 0.00 C ATOM 1128 C MET A 200 3.669 7.043 3.591 1.00 0.00 C ATOM 1129 O MET A 200 3.618 7.593 2.489 1.00 0.00 O ATOM 1130 CB MET A 200 2.400 4.950 3.039 1.00 0.00 C ATOM 1131 CG MET A 200 1.889 3.665 3.685 1.00 0.00 C ATOM 1132 SD MET A 200 0.260 3.637 4.454 1.00 0.00 S ATOM 1133 CE MET A 200 0.360 1.957 5.107 1.00 0.00 C ATOM 0 H MET A 200 0.562 6.555 3.526 1.00 0.00 H new ATOM 0 HA MET A 200 2.779 5.661 5.014 1.00 0.00 H new ATOM 0 HB2 MET A 200 1.714 5.251 2.248 1.00 0.00 H new ATOM 0 HB3 MET A 200 3.364 4.757 2.569 1.00 0.00 H new ATOM 0 HG2 MET A 200 1.901 2.889 2.920 1.00 0.00 H new ATOM 0 HG3 MET A 200 2.613 3.373 4.446 1.00 0.00 H new ATOM 0 HE1 MET A 200 -0.540 1.736 5.681 1.00 0.00 H new ATOM 0 HE2 MET A 200 0.447 1.250 4.282 1.00 0.00 H new ATOM 0 HE3 MET A 200 1.233 1.869 5.753 1.00 0.00 H new ATOM 1143 N LYS A 201 4.672 7.248 4.446 1.00 0.00 N ATOM 1144 CA LYS A 201 5.792 8.128 4.182 1.00 0.00 C ATOM 1145 C LYS A 201 6.646 7.578 3.044 1.00 0.00 C ATOM 1146 O LYS A 201 7.632 6.883 3.283 1.00 0.00 O ATOM 1147 CB LYS A 201 6.622 8.309 5.456 1.00 0.00 C ATOM 1148 CG LYS A 201 5.871 9.002 6.604 1.00 0.00 C ATOM 1149 CD LYS A 201 5.778 10.535 6.479 1.00 0.00 C ATOM 1150 CE LYS A 201 4.501 11.074 5.817 1.00 0.00 C ATOM 1151 NZ LYS A 201 3.280 10.667 6.534 1.00 0.00 N ATOM 0 H LYS A 201 4.722 6.794 5.358 1.00 0.00 H new ATOM 0 HA LYS A 201 5.415 9.103 3.874 1.00 0.00 H new ATOM 0 HB2 LYS A 201 6.961 7.331 5.797 1.00 0.00 H new ATOM 0 HB3 LYS A 201 7.513 8.890 5.216 1.00 0.00 H new ATOM 0 HG2 LYS A 201 4.862 8.594 6.659 1.00 0.00 H new ATOM 0 HG3 LYS A 201 6.366 8.757 7.544 1.00 0.00 H new ATOM 0 HD2 LYS A 201 5.859 10.968 7.476 1.00 0.00 H new ATOM 0 HD3 LYS A 201 6.637 10.887 5.908 1.00 0.00 H new ATOM 0 HE2 LYS A 201 4.549 12.162 5.775 1.00 0.00 H new ATOM 0 HE3 LYS A 201 4.450 10.717 4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 201 2.570 11.425 6.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 201 2.900 9.799 6.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 201 3.507 10.490 7.533 1.00 0.00 H new ATOM 1165 N ARG A 202 6.270 7.925 1.810 1.00 0.00 N ATOM 1166 CA ARG A 202 6.951 7.579 0.570 1.00 0.00 C ATOM 1167 C ARG A 202 8.472 7.657 0.748 1.00 0.00 C ATOM 1168 O ARG A 202 9.199 6.755 0.342 1.00 0.00 O ATOM 1169 CB ARG A 202 6.465 8.548 -0.523 1.00 0.00 C ATOM 1170 CG ARG A 202 6.858 8.091 -1.931 1.00 0.00 C ATOM 1171 CD ARG A 202 6.430 9.122 -2.983 1.00 0.00 C ATOM 1172 NE ARG A 202 6.571 8.588 -4.347 1.00 0.00 N ATOM 1173 CZ ARG A 202 5.645 7.863 -4.993 1.00 0.00 C ATOM 1174 NH1 ARG A 202 4.490 7.539 -4.408 1.00 0.00 N ATOM 1175 NH2 ARG A 202 5.853 7.446 -6.243 1.00 0.00 N ATOM 0 H ARG A 202 5.434 8.487 1.646 1.00 0.00 H new ATOM 0 HA ARG A 202 6.718 6.554 0.282 1.00 0.00 H new ATOM 0 HB2 ARG A 202 5.381 8.642 -0.465 1.00 0.00 H new ATOM 0 HB3 ARG A 202 6.881 9.538 -0.337 1.00 0.00 H new ATOM 0 HG2 ARG A 202 7.937 7.942 -1.981 1.00 0.00 H new ATOM 0 HG3 ARG A 202 6.393 7.130 -2.148 1.00 0.00 H new ATOM 0 HD2 ARG A 202 5.394 9.412 -2.810 1.00 0.00 H new ATOM 0 HD3 ARG A 202 7.035 10.023 -2.879 1.00 0.00 H new ATOM 0 HE ARG A 202 7.442 8.785 -4.841 1.00 0.00 H new ATOM 0 HH11 ARG A 202 4.299 7.843 -3.453 1.00 0.00 H new ATOM 0 HH12 ARG A 202 3.798 6.987 -4.916 1.00 0.00 H new ATOM 0 HH21 ARG A 202 6.725 7.678 -6.720 1.00 0.00 H new ATOM 0 HH22 ARG A 202 5.140 6.896 -6.722 1.00 0.00 H new ATOM 1189 N GLU A 203 8.943 8.720 1.402 1.00 0.00 N ATOM 1190 CA GLU A 203 10.342 8.975 1.691 1.00 0.00 C ATOM 1191 C GLU A 203 11.041 7.745 2.285 1.00 0.00 C ATOM 1192 O GLU A 203 12.138 7.377 1.866 1.00 0.00 O ATOM 1193 CB GLU A 203 10.433 10.150 2.677 1.00 0.00 C ATOM 1194 CG GLU A 203 9.666 11.411 2.242 1.00 0.00 C ATOM 1195 CD GLU A 203 8.272 11.490 2.869 1.00 0.00 C ATOM 1196 OE1 GLU A 203 7.371 10.804 2.340 1.00 0.00 O ATOM 1197 OE2 GLU A 203 8.141 12.207 3.884 1.00 0.00 O ATOM 0 H GLU A 203 8.329 9.453 1.757 1.00 0.00 H new ATOM 0 HA GLU A 203 10.848 9.215 0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 203 10.053 9.825 3.645 1.00 0.00 H new ATOM 0 HB3 GLU A 203 11.482 10.409 2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 203 10.238 12.296 2.522 1.00 0.00 H new ATOM 0 HG3 GLU A 203 9.574 11.421 1.156 1.00 0.00 H new ATOM 1204 N ALA A 204 10.397 7.102 3.262 1.00 0.00 N ATOM 1205 CA ALA A 204 10.944 5.955 3.969 1.00 0.00 C ATOM 1206 C ALA A 204 11.180 4.747 3.062 1.00 0.00 C ATOM 1207 O ALA A 204 11.975 3.875 3.414 1.00 0.00 O ATOM 1208 CB ALA A 204 10.059 5.612 5.166 1.00 0.00 C ATOM 0 H ALA A 204 9.468 7.372 3.584 1.00 0.00 H new ATOM 0 HA ALA A 204 11.933 6.234 4.334 1.00 0.00 H new ATOM 0 HB1 ALA A 204 10.475 4.752 5.691 1.00 0.00 H new ATOM 0 HB2 ALA A 204 10.017 6.465 5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 204 9.054 5.374 4.819 1.00 0.00 H new ATOM 1214 N VAL A 205 10.553 4.681 1.882 1.00 0.00 N ATOM 1215 CA VAL A 205 10.817 3.588 0.955 1.00 0.00 C ATOM 1216 C VAL A 205 12.309 3.524 0.652 1.00 0.00 C ATOM 1217 O VAL A 205 12.908 2.451 0.686 1.00 0.00 O ATOM 1218 CB VAL A 205 9.984 3.752 -0.322 1.00 0.00 C ATOM 1219 CG1 VAL A 205 10.542 2.894 -1.461 1.00 0.00 C ATOM 1220 CG2 VAL A 205 8.527 3.403 -0.003 1.00 0.00 C ATOM 0 H VAL A 205 9.870 5.364 1.554 1.00 0.00 H new ATOM 0 HA VAL A 205 10.522 2.644 1.413 1.00 0.00 H new ATOM 0 HB VAL A 205 10.034 4.785 -0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 205 9.931 3.031 -2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 205 11.568 3.195 -1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 205 10.525 1.844 -1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 205 7.921 3.515 -0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 205 8.468 2.373 0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 205 8.154 4.073 0.772 1.00 0.00 H new ATOM 1230 N GLN A 206 12.912 4.688 0.414 1.00 0.00 N ATOM 1231 CA GLN A 206 14.331 4.810 0.130 1.00 0.00 C ATOM 1232 C GLN A 206 15.203 4.260 1.266 1.00 0.00 C ATOM 1233 O GLN A 206 16.377 3.978 1.040 1.00 0.00 O ATOM 1234 CB GLN A 206 14.671 6.282 -0.155 1.00 0.00 C ATOM 1235 CG GLN A 206 13.885 6.858 -1.345 1.00 0.00 C ATOM 1236 CD GLN A 206 14.208 6.135 -2.648 1.00 0.00 C ATOM 1237 OE1 GLN A 206 13.365 5.453 -3.225 1.00 0.00 O ATOM 1238 NE2 GLN A 206 15.445 6.247 -3.121 1.00 0.00 N ATOM 0 H GLN A 206 12.418 5.580 0.414 1.00 0.00 H new ATOM 0 HA GLN A 206 14.551 4.206 -0.750 1.00 0.00 H new ATOM 0 HB2 GLN A 206 14.462 6.877 0.734 1.00 0.00 H new ATOM 0 HB3 GLN A 206 15.739 6.371 -0.354 1.00 0.00 H new ATOM 0 HG2 GLN A 206 12.816 6.782 -1.144 1.00 0.00 H new ATOM 0 HG3 GLN A 206 14.115 7.918 -1.452 1.00 0.00 H new ATOM 0 HE21 GLN A 206 16.130 6.818 -2.627 1.00 0.00 H new ATOM 0 HE22 GLN A 206 15.709 5.762 -3.978 1.00 0.00 H new ATOM 1247 N GLU A 207 14.640 4.090 2.468 1.00 0.00 N ATOM 1248 CA GLU A 207 15.340 3.556 3.626 1.00 0.00 C ATOM 1249 C GLU A 207 15.084 2.056 3.698 1.00 0.00 C ATOM 1250 O GLU A 207 16.004 1.259 3.854 1.00 0.00 O ATOM 1251 CB GLU A 207 14.880 4.270 4.904 1.00 0.00 C ATOM 1252 CG GLU A 207 15.103 5.785 4.819 1.00 0.00 C ATOM 1253 CD GLU A 207 14.741 6.466 6.135 1.00 0.00 C ATOM 1254 OE1 GLU A 207 13.540 6.765 6.308 1.00 0.00 O ATOM 1255 OE2 GLU A 207 15.669 6.663 6.948 1.00 0.00 O ATOM 0 H GLU A 207 13.666 4.326 2.659 1.00 0.00 H new ATOM 0 HA GLU A 207 16.412 3.728 3.531 1.00 0.00 H new ATOM 0 HB2 GLU A 207 13.823 4.067 5.074 1.00 0.00 H new ATOM 0 HB3 GLU A 207 15.423 3.870 5.760 1.00 0.00 H new ATOM 0 HG2 GLU A 207 16.145 5.989 4.574 1.00 0.00 H new ATOM 0 HG3 GLU A 207 14.499 6.200 4.012 1.00 0.00 H new