USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 619 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 24 LYS NZ :NH3+ -156:sc= -0.0526 (180deg=-0.576) USER MOD Set 1.2: A 27 LYS NZ :NH3+ -158:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.15 K(o=-0.15,f=-1) USER MOD Single : A 37 HIS : no HD1:sc= -0.845 X(o=-0.85,f=-0.66) USER MOD Single : A 41 ASN : amide:sc= -3.07 K(o=-3.1,f=-11!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 45 HIS : no HE2:sc= -1.88 X(o=-1.9,f=-2.3) USER MOD Single : A 53 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.11) USER MOD Single : A 56 LYS NZ :NH3+ -158:sc= -0.115 (180deg=-0.702) USER MOD Single : A 57 CYS SG : rot 78:sc= 0.357 USER MOD Single : A 60 HIS : no HD1:sc= -0.165 X(o=-0.16,f=-0.084) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN :FLIP amide:sc= -0.408 F(o=-1.9,f=-0.41) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.0412 X(o=-0.041,f=-0.48) USER MOD Single : A 95 GLN : amide:sc=-0.000391 X(o=-0.00039,f=0) USER MOD Single : A 96 LYS NZ :NH3+ -179:sc= -0.359 (180deg=-0.364) USER MOD Single : A 97 SER OG : rot 75:sc= 0.296 USER MOD Single : A 100 ASN : amide:sc= 0.693 K(o=0.69,f=-0.0078) USER MOD Single : A 101 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 102 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 108 N HIS A 20 13.414 -1.815 -7.606 1.00 0.00 N ATOM 109 CA HIS A 20 13.213 -0.481 -8.170 1.00 0.00 C ATOM 110 C HIS A 20 11.909 0.119 -7.660 1.00 0.00 C ATOM 111 O HIS A 20 11.814 1.322 -7.435 1.00 0.00 O ATOM 112 CB HIS A 20 13.185 -0.560 -9.709 1.00 0.00 C ATOM 113 CG HIS A 20 13.099 0.831 -10.290 1.00 0.00 C ATOM 114 ND1 HIS A 20 12.091 1.207 -11.154 1.00 0.00 N ATOM 115 CD2 HIS A 20 13.883 1.943 -10.111 1.00 0.00 C ATOM 116 CE1 HIS A 20 12.288 2.499 -11.461 1.00 0.00 C ATOM 117 NE2 HIS A 20 13.369 2.997 -10.851 1.00 0.00 N ATOM 0 HA HIS A 20 14.039 0.158 -7.858 1.00 0.00 H new ATOM 0 HB2 HIS A 20 14.082 -1.061 -10.073 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.332 -1.154 -10.037 1.00 0.00 H new ATOM 0 HD2 HIS A 20 14.765 1.990 -9.489 1.00 0.00 H new ATOM 0 HE1 HIS A 20 11.650 3.068 -12.121 1.00 0.00 H new ATOM 0 HE2 HIS A 20 13.736 3.947 -10.916 1.00 0.00 H new ATOM 125 N MET A 21 10.898 -0.729 -7.499 1.00 0.00 N ATOM 126 CA MET A 21 9.583 -0.275 -7.037 1.00 0.00 C ATOM 127 C MET A 21 9.703 0.393 -5.672 1.00 0.00 C ATOM 128 O MET A 21 8.970 1.317 -5.365 1.00 0.00 O ATOM 129 CB MET A 21 8.618 -1.478 -6.951 1.00 0.00 C ATOM 130 CG MET A 21 9.219 -2.577 -6.036 1.00 0.00 C ATOM 131 SD MET A 21 8.147 -4.022 -6.056 1.00 0.00 S ATOM 132 CE MET A 21 9.050 -4.968 -4.806 1.00 0.00 C ATOM 0 H MET A 21 10.959 -1.731 -7.680 1.00 0.00 H new ATOM 0 HA MET A 21 9.191 0.452 -7.748 1.00 0.00 H new ATOM 0 HB2 MET A 21 7.654 -1.154 -6.559 1.00 0.00 H new ATOM 0 HB3 MET A 21 8.437 -1.882 -7.947 1.00 0.00 H new ATOM 0 HG2 MET A 21 10.218 -2.846 -6.380 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.323 -2.202 -5.018 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.556 -5.927 -4.648 1.00 0.00 H new ATOM 0 HE2 MET A 21 10.072 -5.138 -5.146 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.067 -4.410 -3.870 1.00 0.00 H new ATOM 142 N ALA A 22 10.636 -0.105 -4.852 1.00 0.00 N ATOM 143 CA ALA A 22 10.842 0.439 -3.508 1.00 0.00 C ATOM 144 C ALA A 22 10.962 1.957 -3.563 1.00 0.00 C ATOM 145 O ALA A 22 10.414 2.667 -2.724 1.00 0.00 O ATOM 146 CB ALA A 22 12.121 -0.152 -2.895 1.00 0.00 C ATOM 0 H ALA A 22 11.255 -0.878 -5.095 1.00 0.00 H new ATOM 0 HA ALA A 22 9.984 0.172 -2.890 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.268 0.257 -1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.028 -1.236 -2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.976 0.103 -3.521 1.00 0.00 H new ATOM 152 N SER A 23 11.670 2.449 -4.586 1.00 0.00 N ATOM 153 CA SER A 23 11.853 3.892 -4.761 1.00 0.00 C ATOM 154 C SER A 23 10.506 4.604 -4.804 1.00 0.00 C ATOM 155 O SER A 23 10.339 5.663 -4.217 1.00 0.00 O ATOM 156 CB SER A 23 12.622 4.167 -6.058 1.00 0.00 C ATOM 157 OG SER A 23 12.792 5.571 -6.201 1.00 0.00 O ATOM 0 H SER A 23 12.121 1.875 -5.298 1.00 0.00 H new ATOM 0 HA SER A 23 12.422 4.272 -3.913 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.592 3.670 -6.034 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.078 3.764 -6.912 1.00 0.00 H new ATOM 0 HG SER A 23 13.284 5.758 -7.027 1.00 0.00 H new ATOM 163 N LYS A 24 9.544 4.000 -5.494 1.00 0.00 N ATOM 164 CA LYS A 24 8.204 4.581 -5.604 1.00 0.00 C ATOM 165 C LYS A 24 7.533 4.663 -4.260 1.00 0.00 C ATOM 166 O LYS A 24 6.822 5.625 -3.965 1.00 0.00 O ATOM 167 CB LYS A 24 7.353 3.736 -6.577 1.00 0.00 C ATOM 168 CG LYS A 24 8.025 3.718 -7.984 1.00 0.00 C ATOM 169 CD LYS A 24 7.644 5.007 -8.765 1.00 0.00 C ATOM 170 CE LYS A 24 8.310 4.990 -10.140 1.00 0.00 C ATOM 171 NZ LYS A 24 9.789 4.987 -9.959 1.00 0.00 N ATOM 0 H LYS A 24 9.663 3.113 -5.984 1.00 0.00 H new ATOM 0 HA LYS A 24 8.298 5.596 -5.990 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.253 2.719 -6.198 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.347 4.150 -6.649 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.108 3.652 -7.879 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.704 2.837 -8.539 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.561 5.071 -8.875 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.960 5.889 -8.208 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.997 4.109 -10.700 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.003 5.861 -10.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.244 5.375 -10.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.039 5.571 -9.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.118 4.013 -9.805 1.00 0.00 H new ATOM 185 N ARG A 25 7.735 3.636 -3.458 1.00 0.00 N ATOM 186 CA ARG A 25 7.122 3.578 -2.130 1.00 0.00 C ATOM 187 C ARG A 25 7.675 4.656 -1.235 1.00 0.00 C ATOM 188 O ARG A 25 6.943 5.267 -0.454 1.00 0.00 O ATOM 189 CB ARG A 25 7.393 2.194 -1.493 1.00 0.00 C ATOM 190 CG ARG A 25 6.961 1.059 -2.473 1.00 0.00 C ATOM 191 CD ARG A 25 5.423 0.941 -2.523 1.00 0.00 C ATOM 192 NE ARG A 25 4.856 2.071 -3.282 1.00 0.00 N ATOM 193 CZ ARG A 25 4.920 2.123 -4.614 1.00 0.00 C ATOM 194 NH1 ARG A 25 5.495 1.153 -5.271 1.00 0.00 N ATOM 195 NH2 ARG A 25 4.415 3.136 -5.250 1.00 0.00 N ATOM 0 H ARG A 25 8.314 2.830 -3.694 1.00 0.00 H new ATOM 0 HA ARG A 25 6.049 3.733 -2.240 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.452 2.096 -1.255 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.845 2.103 -0.555 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.348 1.266 -3.471 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.394 0.111 -2.154 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.137 -0.002 -2.990 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.017 0.931 -1.511 1.00 0.00 H new ATOM 0 HE ARG A 25 4.403 2.832 -2.776 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.892 0.361 -4.766 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.547 1.187 -6.289 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.969 3.893 -4.732 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.464 3.175 -6.268 1.00 0.00 H new ATOM 209 N ASP A 26 8.985 4.867 -1.334 1.00 0.00 N ATOM 210 CA ASP A 26 9.652 5.856 -0.495 1.00 0.00 C ATOM 211 C ASP A 26 9.267 7.261 -0.911 1.00 0.00 C ATOM 212 O ASP A 26 8.986 8.110 -0.066 1.00 0.00 O ATOM 213 CB ASP A 26 11.181 5.685 -0.595 1.00 0.00 C ATOM 214 CG ASP A 26 11.888 6.624 0.393 1.00 0.00 C ATOM 215 OD1 ASP A 26 11.447 6.686 1.531 1.00 0.00 O ATOM 216 OD2 ASP A 26 12.828 7.285 -0.009 1.00 0.00 O ATOM 0 H ASP A 26 9.600 4.372 -1.980 1.00 0.00 H new ATOM 0 HA ASP A 26 9.336 5.700 0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.453 4.651 -0.382 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.512 5.899 -1.611 1.00 0.00 H new ATOM 221 N LYS A 27 9.281 7.512 -2.213 1.00 0.00 N ATOM 222 CA LYS A 27 8.969 8.845 -2.720 1.00 0.00 C ATOM 223 C LYS A 27 7.653 9.345 -2.184 1.00 0.00 C ATOM 224 O LYS A 27 7.602 10.391 -1.567 1.00 0.00 O ATOM 225 CB LYS A 27 8.911 8.813 -4.254 1.00 0.00 C ATOM 226 CG LYS A 27 10.349 8.923 -4.852 1.00 0.00 C ATOM 227 CD LYS A 27 10.263 9.160 -6.380 1.00 0.00 C ATOM 228 CE LYS A 27 9.668 7.924 -7.081 1.00 0.00 C ATOM 229 NZ LYS A 27 9.883 8.041 -8.530 1.00 0.00 N ATOM 0 H LYS A 27 9.502 6.822 -2.931 1.00 0.00 H new ATOM 0 HA LYS A 27 9.755 9.523 -2.387 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.441 7.888 -4.588 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.294 9.634 -4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.889 9.742 -4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.909 8.011 -4.647 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.646 10.035 -6.585 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.256 9.370 -6.779 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.138 7.016 -6.704 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.603 7.846 -6.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.194 7.445 -9.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.760 9.032 -8.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.847 7.728 -8.764 1.00 0.00 H new ATOM 243 N ILE A 28 6.600 8.593 -2.414 1.00 0.00 N ATOM 244 CA ILE A 28 5.282 8.994 -1.940 1.00 0.00 C ATOM 245 C ILE A 28 5.302 9.203 -0.435 1.00 0.00 C ATOM 246 O ILE A 28 4.863 10.228 0.048 1.00 0.00 O ATOM 247 CB ILE A 28 4.256 7.897 -2.294 1.00 0.00 C ATOM 248 CG1 ILE A 28 4.243 7.674 -3.843 1.00 0.00 C ATOM 249 CG2 ILE A 28 2.828 8.329 -1.824 1.00 0.00 C ATOM 250 CD1 ILE A 28 3.431 6.412 -4.182 1.00 0.00 C ATOM 0 H ILE A 28 6.623 7.708 -2.921 1.00 0.00 H new ATOM 0 HA ILE A 28 5.003 9.931 -2.421 1.00 0.00 H new ATOM 0 HB ILE A 28 4.537 6.972 -1.790 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.809 8.541 -4.341 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.263 7.571 -4.213 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.110 7.549 -2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.831 8.482 -0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.546 9.257 -2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.426 6.262 -5.262 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.884 5.547 -3.698 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.407 6.532 -3.827 1.00 0.00 H new ATOM 262 N ALA A 29 5.797 8.210 0.288 1.00 0.00 N ATOM 263 CA ALA A 29 5.861 8.300 1.747 1.00 0.00 C ATOM 264 C ALA A 29 6.631 9.548 2.159 1.00 0.00 C ATOM 265 O ALA A 29 6.383 10.119 3.216 1.00 0.00 O ATOM 266 CB ALA A 29 6.555 7.051 2.313 1.00 0.00 C ATOM 0 H ALA A 29 6.158 7.339 -0.102 1.00 0.00 H new ATOM 0 HA ALA A 29 4.848 8.361 2.145 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.601 7.121 3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.991 6.162 2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.566 6.983 1.911 1.00 0.00 H new ATOM 272 N ASP A 30 7.589 9.946 1.325 1.00 0.00 N ATOM 273 CA ASP A 30 8.423 11.116 1.615 1.00 0.00 C ATOM 274 C ASP A 30 7.769 12.394 1.133 1.00 0.00 C ATOM 275 O ASP A 30 7.972 13.452 1.725 1.00 0.00 O ATOM 276 CB ASP A 30 9.798 10.938 0.949 1.00 0.00 C ATOM 277 CG ASP A 30 10.540 9.734 1.546 1.00 0.00 C ATOM 278 OD1 ASP A 30 10.092 9.205 2.555 1.00 0.00 O ATOM 279 OD2 ASP A 30 11.543 9.351 0.977 1.00 0.00 O ATOM 0 H ASP A 30 7.809 9.479 0.445 1.00 0.00 H new ATOM 0 HA ASP A 30 8.545 11.196 2.695 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.672 10.798 -0.125 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.393 11.841 1.085 1.00 0.00 H new ATOM 284 N ILE A 31 7.025 12.295 0.046 1.00 0.00 N ATOM 285 CA ILE A 31 6.390 13.463 -0.539 1.00 0.00 C ATOM 286 C ILE A 31 5.074 13.764 0.127 1.00 0.00 C ATOM 287 O ILE A 31 4.719 14.938 0.286 1.00 0.00 O ATOM 288 CB ILE A 31 6.164 13.218 -2.047 1.00 0.00 C ATOM 289 CG1 ILE A 31 7.547 13.154 -2.788 1.00 0.00 C ATOM 290 CG2 ILE A 31 5.314 14.381 -2.663 1.00 0.00 C ATOM 291 CD1 ILE A 31 7.357 12.582 -4.204 1.00 0.00 C ATOM 0 H ILE A 31 6.846 11.421 -0.448 1.00 0.00 H new ATOM 0 HA ILE A 31 7.046 14.321 -0.391 1.00 0.00 H new ATOM 0 HB ILE A 31 5.632 12.274 -2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.985 14.150 -2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.242 12.531 -2.225 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.162 14.197 -3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.348 14.431 -2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.841 15.326 -2.531 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.320 12.541 -4.712 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.938 11.578 -4.138 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.677 13.222 -4.767 1.00 0.00 H new ATOM 303 N GLN A 32 4.336 12.724 0.461 1.00 0.00 N ATOM 304 CA GLN A 32 3.030 12.900 1.058 1.00 0.00 C ATOM 305 C GLN A 32 3.109 13.793 2.291 1.00 0.00 C ATOM 306 O GLN A 32 2.438 14.824 2.368 1.00 0.00 O ATOM 307 CB GLN A 32 2.443 11.522 1.455 1.00 0.00 C ATOM 308 CG GLN A 32 0.939 11.668 1.839 1.00 0.00 C ATOM 309 CD GLN A 32 0.115 12.023 0.596 1.00 0.00 C ATOM 310 OE1 GLN A 32 0.378 11.501 -0.490 1.00 0.00 O ATOM 311 NE2 GLN A 32 -0.827 12.908 0.683 1.00 0.00 N ATOM 0 H GLN A 32 4.618 11.753 0.329 1.00 0.00 H new ATOM 0 HA GLN A 32 2.382 13.379 0.324 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.548 10.821 0.627 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.002 11.109 2.295 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.574 10.738 2.274 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.822 12.442 2.597 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.042 13.338 1.583 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.354 13.175 -0.148 1.00 0.00 H new ATOM 320 N GLU A 33 3.926 13.383 3.252 1.00 0.00 N ATOM 321 CA GLU A 33 4.078 14.139 4.487 1.00 0.00 C ATOM 322 C GLU A 33 4.642 15.504 4.210 1.00 0.00 C ATOM 323 O GLU A 33 4.066 16.487 4.642 1.00 0.00 O ATOM 324 CB GLU A 33 5.029 13.383 5.452 1.00 0.00 C ATOM 325 CG GLU A 33 4.265 12.234 6.162 1.00 0.00 C ATOM 326 CD GLU A 33 3.675 11.271 5.133 1.00 0.00 C ATOM 327 OE1 GLU A 33 4.383 10.377 4.716 1.00 0.00 O ATOM 328 OE2 GLU A 33 2.537 11.484 4.736 1.00 0.00 O ATOM 0 H GLU A 33 4.491 12.535 3.201 1.00 0.00 H new ATOM 0 HA GLU A 33 3.094 14.248 4.944 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.876 12.979 4.898 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.433 14.074 6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.941 11.696 6.827 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.469 12.647 6.782 1.00 0.00 H new ATOM 335 N ALA A 34 5.787 15.557 3.532 1.00 0.00 N ATOM 336 CA ALA A 34 6.456 16.824 3.278 1.00 0.00 C ATOM 337 C ALA A 34 5.460 17.899 2.935 1.00 0.00 C ATOM 338 O ALA A 34 5.399 18.864 3.639 1.00 0.00 O ATOM 339 CB ALA A 34 7.404 16.662 2.080 1.00 0.00 C ATOM 0 H ALA A 34 6.266 14.740 3.152 1.00 0.00 H new ATOM 0 HA ALA A 34 7.001 17.107 4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.908 17.608 1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.145 15.895 2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.832 16.368 1.200 1.00 0.00 H new ATOM 345 N LEU A 35 4.674 17.699 1.880 1.00 0.00 N ATOM 346 CA LEU A 35 3.703 18.700 1.495 1.00 0.00 C ATOM 347 C LEU A 35 2.578 18.837 2.531 1.00 0.00 C ATOM 348 O LEU A 35 2.348 19.914 3.069 1.00 0.00 O ATOM 349 CB LEU A 35 3.110 18.297 0.126 1.00 0.00 C ATOM 350 CG LEU A 35 1.893 19.214 -0.235 1.00 0.00 C ATOM 351 CD1 LEU A 35 2.353 20.700 -0.311 1.00 0.00 C ATOM 352 CD2 LEU A 35 1.283 18.770 -1.563 1.00 0.00 C ATOM 0 H LEU A 35 4.694 16.867 1.291 1.00 0.00 H new ATOM 0 HA LEU A 35 4.202 19.667 1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.875 18.377 -0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.792 17.255 0.153 1.00 0.00 H new ATOM 0 HG LEU A 35 1.133 19.126 0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.501 21.332 -0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.759 21.005 0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.121 20.804 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.437 19.412 -1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.033 18.842 -2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.943 17.738 -1.480 1.00 0.00 H new ATOM 364 N ALA A 36 1.853 17.757 2.750 1.00 0.00 N ATOM 365 CA ALA A 36 0.733 17.773 3.706 1.00 0.00 C ATOM 366 C ALA A 36 1.179 18.463 4.996 1.00 0.00 C ATOM 367 O ALA A 36 0.611 19.443 5.435 1.00 0.00 O ATOM 368 CB ALA A 36 0.309 16.331 4.000 1.00 0.00 C ATOM 0 H ALA A 36 2.007 16.860 2.290 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.111 18.319 3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.520 16.333 4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.004 15.848 3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.150 15.785 4.428 1.00 0.00 H new ATOM 374 N HIS A 37 2.248 17.937 5.573 1.00 0.00 N ATOM 375 CA HIS A 37 2.833 18.477 6.804 1.00 0.00 C ATOM 376 C HIS A 37 3.656 19.712 6.514 1.00 0.00 C ATOM 377 O HIS A 37 4.630 20.004 7.226 1.00 0.00 O ATOM 378 CB HIS A 37 3.687 17.423 7.528 1.00 0.00 C ATOM 379 CG HIS A 37 4.013 17.909 8.923 1.00 0.00 C ATOM 380 ND1 HIS A 37 3.038 18.034 9.901 1.00 0.00 N ATOM 381 CD2 HIS A 37 5.181 18.324 9.496 1.00 0.00 C ATOM 382 CE1 HIS A 37 3.637 18.506 11.005 1.00 0.00 C ATOM 383 NE2 HIS A 37 4.945 18.701 10.811 1.00 0.00 N ATOM 0 H HIS A 37 2.740 17.122 5.205 1.00 0.00 H new ATOM 0 HA HIS A 37 2.010 18.755 7.462 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.150 16.476 7.578 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.606 17.239 6.971 1.00 0.00 H new ATOM 0 HD2 HIS A 37 6.141 18.354 9.002 1.00 0.00 H new ATOM 0 HE1 HIS A 37 3.125 18.704 11.935 1.00 0.00 H new ATOM 0 HE2 HIS A 37 5.625 19.052 11.485 1.00 0.00 H new ATOM 391 N ALA A 38 3.306 20.429 5.448 1.00 0.00 N ATOM 392 CA ALA A 38 4.055 21.628 5.073 1.00 0.00 C ATOM 393 C ALA A 38 3.209 22.850 5.136 1.00 0.00 C ATOM 394 O ALA A 38 3.597 23.779 5.833 1.00 0.00 O ATOM 395 CB ALA A 38 4.578 21.498 3.627 1.00 0.00 C ATOM 0 H ALA A 38 2.521 20.206 4.836 1.00 0.00 H new ATOM 0 HA ALA A 38 4.878 21.720 5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.134 22.396 3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.234 20.630 3.554 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.736 21.375 2.945 1.00 0.00 H new ATOM 401 N ASP A 39 2.058 22.848 4.413 1.00 0.00 N ATOM 402 CA ASP A 39 1.156 24.030 4.327 1.00 0.00 C ATOM 403 C ASP A 39 1.767 25.239 5.048 1.00 0.00 C ATOM 404 O ASP A 39 1.174 25.830 5.943 1.00 0.00 O ATOM 405 CB ASP A 39 -0.208 23.696 4.948 1.00 0.00 C ATOM 406 CG ASP A 39 -0.849 22.528 4.212 1.00 0.00 C ATOM 407 OD1 ASP A 39 -0.771 22.509 2.992 1.00 0.00 O ATOM 408 OD2 ASP A 39 -1.411 21.675 4.874 1.00 0.00 O ATOM 0 H ASP A 39 1.732 22.041 3.881 1.00 0.00 H new ATOM 0 HA ASP A 39 1.026 24.282 3.275 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.085 23.447 6.002 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.861 24.568 4.900 1.00 0.00 H new ATOM 413 N ALA A 40 3.017 25.559 4.669 1.00 0.00 N ATOM 414 CA ALA A 40 3.755 26.620 5.339 1.00 0.00 C ATOM 415 C ALA A 40 3.006 27.932 5.221 1.00 0.00 C ATOM 416 O ALA A 40 2.752 28.604 6.224 1.00 0.00 O ATOM 417 CB ALA A 40 5.150 26.772 4.704 1.00 0.00 C ATOM 0 H ALA A 40 3.523 25.100 3.912 1.00 0.00 H new ATOM 0 HA ALA A 40 3.861 26.359 6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.696 27.568 5.211 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.699 25.835 4.803 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.044 27.020 3.648 1.00 0.00 H new ATOM 423 N ASN A 41 2.652 28.290 3.989 1.00 0.00 N ATOM 424 CA ASN A 41 1.953 29.551 3.748 1.00 0.00 C ATOM 425 C ASN A 41 0.483 29.440 4.103 1.00 0.00 C ATOM 426 O ASN A 41 -0.200 30.459 4.215 1.00 0.00 O ATOM 427 CB ASN A 41 2.106 29.939 2.264 1.00 0.00 C ATOM 428 CG ASN A 41 1.566 28.825 1.363 1.00 0.00 C ATOM 429 OD1 ASN A 41 0.399 28.449 1.477 1.00 0.00 O ATOM 430 ND2 ASN A 41 2.347 28.270 0.487 1.00 0.00 N ATOM 0 H ASN A 41 2.834 27.735 3.153 1.00 0.00 H new ATOM 0 HA ASN A 41 2.394 30.320 4.382 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.569 30.867 2.067 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.156 30.123 2.036 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.994 27.521 -0.109 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.313 28.583 0.394 1.00 0.00 H new ATOM 437 N ALA A 42 0.003 28.206 4.263 1.00 0.00 N ATOM 438 CA ALA A 42 -1.400 27.970 4.599 1.00 0.00 C ATOM 439 C ALA A 42 -2.326 28.733 3.651 1.00 0.00 C ATOM 440 O ALA A 42 -3.159 29.534 4.097 1.00 0.00 O ATOM 441 CB ALA A 42 -1.660 28.417 6.049 1.00 0.00 C ATOM 0 H ALA A 42 0.563 27.359 4.166 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.608 26.905 4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.706 28.242 6.302 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.023 27.847 6.725 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.436 29.479 6.148 1.00 0.00 H new ATOM 447 N ASP A 43 -2.172 28.487 2.351 1.00 0.00 N ATOM 448 CA ASP A 43 -3.005 29.157 1.339 1.00 0.00 C ATOM 449 C ASP A 43 -4.013 28.191 0.774 1.00 0.00 C ATOM 450 O ASP A 43 -4.930 28.597 0.066 1.00 0.00 O ATOM 451 CB ASP A 43 -2.113 29.711 0.220 1.00 0.00 C ATOM 452 CG ASP A 43 -1.118 30.727 0.789 1.00 0.00 C ATOM 453 OD1 ASP A 43 -1.403 31.311 1.829 1.00 0.00 O ATOM 454 OD2 ASP A 43 -0.087 30.907 0.173 1.00 0.00 O ATOM 0 H ASP A 43 -1.486 27.835 1.970 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.541 29.983 1.807 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.575 28.895 -0.263 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.729 30.184 -0.545 1.00 0.00 H new ATOM 459 N GLN A 44 -3.844 26.908 1.085 1.00 0.00 N ATOM 460 CA GLN A 44 -4.750 25.874 0.606 1.00 0.00 C ATOM 461 C GLN A 44 -4.667 25.728 -0.904 1.00 0.00 C ATOM 462 O GLN A 44 -5.453 24.988 -1.503 1.00 0.00 O ATOM 463 CB GLN A 44 -6.211 26.222 1.013 1.00 0.00 C ATOM 464 CG GLN A 44 -7.045 24.933 1.172 1.00 0.00 C ATOM 465 CD GLN A 44 -8.483 25.284 1.496 1.00 0.00 C ATOM 466 OE1 GLN A 44 -9.062 26.161 0.856 1.00 0.00 O ATOM 467 NE2 GLN A 44 -9.085 24.660 2.459 1.00 0.00 N ATOM 0 H GLN A 44 -3.083 26.561 1.670 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.454 24.929 1.061 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.212 26.781 1.949 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.663 26.865 0.257 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.003 24.347 0.254 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.625 24.314 1.965 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.594 23.935 2.982 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.050 24.894 2.694 1.00 0.00 H new ATOM 476 N HIS A 45 -3.725 26.441 -1.515 1.00 0.00 N ATOM 477 CA HIS A 45 -3.522 26.370 -2.963 1.00 0.00 C ATOM 478 C HIS A 45 -2.098 25.923 -3.238 1.00 0.00 C ATOM 479 O HIS A 45 -1.142 26.432 -2.646 1.00 0.00 O ATOM 480 CB HIS A 45 -3.779 27.758 -3.609 1.00 0.00 C ATOM 481 CG HIS A 45 -3.066 27.843 -4.938 1.00 0.00 C ATOM 482 ND1 HIS A 45 -2.249 28.903 -5.265 1.00 0.00 N ATOM 483 CD2 HIS A 45 -3.004 26.973 -5.996 1.00 0.00 C ATOM 484 CE1 HIS A 45 -1.730 28.649 -6.475 1.00 0.00 C ATOM 485 NE2 HIS A 45 -2.159 27.484 -6.968 1.00 0.00 N ATOM 0 H HIS A 45 -3.089 27.075 -1.032 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.222 25.655 -3.395 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.849 27.912 -3.749 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.428 28.549 -2.946 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -2.072 29.728 -4.693 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.533 26.034 -6.062 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -1.046 29.308 -6.990 1.00 0.00 H new ATOM 493 N LEU A 46 -1.957 24.975 -4.165 1.00 0.00 N ATOM 494 CA LEU A 46 -0.637 24.455 -4.526 1.00 0.00 C ATOM 495 C LEU A 46 0.030 25.274 -5.602 1.00 0.00 C ATOM 496 O LEU A 46 -0.384 25.218 -6.752 1.00 0.00 O ATOM 497 CB LEU A 46 -0.791 22.998 -5.038 1.00 0.00 C ATOM 498 CG LEU A 46 -0.873 22.011 -3.827 1.00 0.00 C ATOM 499 CD1 LEU A 46 -2.032 22.418 -2.877 1.00 0.00 C ATOM 500 CD2 LEU A 46 -1.096 20.574 -4.347 1.00 0.00 C ATOM 0 H LEU A 46 -2.733 24.554 -4.676 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.012 24.500 -3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.689 22.912 -5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.054 22.736 -5.674 1.00 0.00 H new ATOM 0 HG LEU A 46 0.063 22.053 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.077 21.722 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.858 23.427 -2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.976 22.391 -3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.153 19.886 -3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.027 20.532 -4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.266 20.288 -4.993 1.00 0.00 H new ATOM 512 N ASP A 47 1.048 26.013 -5.194 1.00 0.00 N ATOM 513 CA ASP A 47 1.827 26.836 -6.135 1.00 0.00 C ATOM 514 C ASP A 47 3.135 26.130 -6.387 1.00 0.00 C ATOM 515 O ASP A 47 3.767 25.642 -5.438 1.00 0.00 O ATOM 516 CB ASP A 47 2.045 28.245 -5.572 1.00 0.00 C ATOM 517 CG ASP A 47 2.697 28.161 -4.195 1.00 0.00 C ATOM 518 OD1 ASP A 47 2.226 27.382 -3.382 1.00 0.00 O ATOM 519 OD2 ASP A 47 3.661 28.869 -3.980 1.00 0.00 O ATOM 0 H ASP A 47 1.362 26.067 -4.225 1.00 0.00 H new ATOM 0 HA ASP A 47 1.288 26.957 -7.075 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.676 28.822 -6.248 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.092 28.769 -5.501 1.00 0.00 H new ATOM 524 N PHE A 48 3.547 26.069 -7.661 1.00 0.00 N ATOM 525 CA PHE A 48 4.763 25.386 -8.044 1.00 0.00 C ATOM 526 C PHE A 48 5.892 25.585 -7.048 1.00 0.00 C ATOM 527 O PHE A 48 6.519 24.615 -6.642 1.00 0.00 O ATOM 528 CB PHE A 48 5.239 25.898 -9.413 1.00 0.00 C ATOM 529 CG PHE A 48 6.352 24.973 -9.947 1.00 0.00 C ATOM 530 CD1 PHE A 48 6.025 23.661 -10.350 1.00 0.00 C ATOM 531 CD2 PHE A 48 7.681 25.414 -10.019 1.00 0.00 C ATOM 532 CE1 PHE A 48 7.023 22.814 -10.821 1.00 0.00 C ATOM 533 CE2 PHE A 48 8.671 24.566 -10.491 1.00 0.00 C ATOM 534 CZ PHE A 48 8.347 23.266 -10.894 1.00 0.00 C ATOM 0 H PHE A 48 3.042 26.492 -8.440 1.00 0.00 H new ATOM 0 HA PHE A 48 4.522 24.324 -8.078 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.405 25.924 -10.114 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.611 26.919 -9.323 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.003 23.315 -10.293 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.934 26.416 -9.706 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.777 21.809 -11.130 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.693 24.909 -10.548 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.120 22.609 -11.263 1.00 0.00 H new ATOM 544 N ASP A 49 6.117 26.840 -6.636 1.00 0.00 N ATOM 545 CA ASP A 49 7.181 27.152 -5.694 1.00 0.00 C ATOM 546 C ASP A 49 7.211 26.175 -4.519 1.00 0.00 C ATOM 547 O ASP A 49 8.207 25.491 -4.305 1.00 0.00 O ATOM 548 CB ASP A 49 6.992 28.588 -5.162 1.00 0.00 C ATOM 549 CG ASP A 49 8.207 29.006 -4.328 1.00 0.00 C ATOM 550 OD1 ASP A 49 9.255 29.210 -4.918 1.00 0.00 O ATOM 551 OD2 ASP A 49 8.085 29.064 -3.116 1.00 0.00 O ATOM 0 H ASP A 49 5.575 27.647 -6.943 1.00 0.00 H new ATOM 0 HA ASP A 49 8.129 27.064 -6.224 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.859 29.278 -5.995 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.088 28.643 -4.555 1.00 0.00 H new ATOM 556 N GLU A 50 6.097 26.090 -3.800 1.00 0.00 N ATOM 557 CA GLU A 50 5.999 25.163 -2.680 1.00 0.00 C ATOM 558 C GLU A 50 6.350 23.759 -3.125 1.00 0.00 C ATOM 559 O GLU A 50 7.108 23.085 -2.471 1.00 0.00 O ATOM 560 CB GLU A 50 4.562 25.185 -2.121 1.00 0.00 C ATOM 561 CG GLU A 50 4.259 26.569 -1.494 1.00 0.00 C ATOM 562 CD GLU A 50 5.089 26.765 -0.220 1.00 0.00 C ATOM 563 OE1 GLU A 50 5.009 25.906 0.643 1.00 0.00 O ATOM 564 OE2 GLU A 50 5.826 27.735 -0.152 1.00 0.00 O ATOM 0 H GLU A 50 5.258 26.645 -3.970 1.00 0.00 H new ATOM 0 HA GLU A 50 6.700 25.470 -1.904 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.849 24.974 -2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.442 24.403 -1.371 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.486 27.359 -2.210 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.197 26.646 -1.261 1.00 0.00 H new ATOM 571 N TRP A 51 5.801 23.338 -4.249 1.00 0.00 N ATOM 572 CA TRP A 51 6.073 22.001 -4.763 1.00 0.00 C ATOM 573 C TRP A 51 7.498 21.900 -5.282 1.00 0.00 C ATOM 574 O TRP A 51 8.039 20.797 -5.418 1.00 0.00 O ATOM 575 CB TRP A 51 5.095 21.685 -5.922 1.00 0.00 C ATOM 576 CG TRP A 51 5.316 20.278 -6.419 1.00 0.00 C ATOM 577 CD1 TRP A 51 6.226 19.918 -7.352 1.00 0.00 C ATOM 578 CD2 TRP A 51 4.669 19.055 -5.977 1.00 0.00 C ATOM 579 NE1 TRP A 51 6.168 18.556 -7.528 1.00 0.00 N ATOM 580 CE2 TRP A 51 5.213 17.978 -6.709 1.00 0.00 C ATOM 581 CE3 TRP A 51 3.663 18.783 -5.031 1.00 0.00 C ATOM 582 CZ2 TRP A 51 4.783 16.668 -6.512 1.00 0.00 C ATOM 583 CZ3 TRP A 51 3.225 17.460 -4.831 1.00 0.00 C ATOM 584 CH2 TRP A 51 3.783 16.406 -5.571 1.00 0.00 C ATOM 0 H TRP A 51 5.168 23.895 -4.823 1.00 0.00 H new ATOM 0 HA TRP A 51 5.941 21.288 -3.950 1.00 0.00 H new ATOM 0 HB2 TRP A 51 4.066 21.801 -5.582 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.243 22.394 -6.737 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.890 20.591 -7.874 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.755 18.036 -8.180 1.00 0.00 H new ATOM 0 HE3 TRP A 51 3.227 19.589 -4.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 5.219 15.861 -7.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 2.454 17.255 -4.103 1.00 0.00 H new ATOM 0 HH2 TRP A 51 3.440 15.394 -5.414 1.00 0.00 H new ATOM 595 N ARG A 52 8.100 23.041 -5.570 1.00 0.00 N ATOM 596 CA ARG A 52 9.440 23.043 -6.111 1.00 0.00 C ATOM 597 C ARG A 52 10.508 22.892 -5.039 1.00 0.00 C ATOM 598 O ARG A 52 11.254 21.919 -5.035 1.00 0.00 O ATOM 599 CB ARG A 52 9.690 24.384 -6.842 1.00 0.00 C ATOM 600 CG ARG A 52 10.965 24.269 -7.743 1.00 0.00 C ATOM 601 CD ARG A 52 11.463 25.670 -8.118 1.00 0.00 C ATOM 602 NE ARG A 52 10.353 26.486 -8.621 1.00 0.00 N ATOM 603 CZ ARG A 52 10.537 27.755 -8.990 1.00 0.00 C ATOM 604 NH1 ARG A 52 11.729 28.287 -8.904 1.00 0.00 N ATOM 605 NH2 ARG A 52 9.539 28.459 -9.430 1.00 0.00 N ATOM 0 H ARG A 52 7.686 23.964 -5.439 1.00 0.00 H new ATOM 0 HA ARG A 52 9.511 22.191 -6.787 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.825 24.643 -7.452 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.819 25.186 -6.115 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.747 23.724 -7.214 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.735 23.701 -8.645 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.911 26.149 -7.248 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.242 25.596 -8.877 1.00 0.00 H new ATOM 0 HE ARG A 52 9.422 26.075 -8.690 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.511 27.732 -8.556 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.876 29.257 -9.185 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.610 28.042 -9.495 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.684 29.429 -9.711 1.00 0.00 H new ATOM 619 N GLN A 53 10.581 23.861 -4.147 1.00 0.00 N ATOM 620 CA GLN A 53 11.607 23.867 -3.133 1.00 0.00 C ATOM 621 C GLN A 53 11.405 22.783 -2.094 1.00 0.00 C ATOM 622 O GLN A 53 12.389 22.178 -1.622 1.00 0.00 O ATOM 623 CB GLN A 53 11.624 25.239 -2.409 1.00 0.00 C ATOM 624 CG GLN A 53 12.944 25.400 -1.584 1.00 0.00 C ATOM 625 CD GLN A 53 14.140 25.568 -2.528 1.00 0.00 C ATOM 626 OE1 GLN A 53 14.179 26.515 -3.313 1.00 0.00 O ATOM 627 NE2 GLN A 53 15.089 24.675 -2.530 1.00 0.00 N ATOM 0 H GLN A 53 9.940 24.653 -4.107 1.00 0.00 H new ATOM 0 HA GLN A 53 12.552 23.680 -3.643 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.543 26.044 -3.139 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.761 25.320 -1.748 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.867 26.265 -0.925 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.093 24.527 -0.948 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.053 23.891 -1.878 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.867 24.760 -3.184 1.00 0.00 H new ATOM 636 N GLU A 54 10.160 22.558 -1.735 1.00 0.00 N ATOM 637 CA GLU A 54 9.857 21.599 -0.707 1.00 0.00 C ATOM 638 C GLU A 54 10.380 20.200 -1.029 1.00 0.00 C ATOM 639 O GLU A 54 11.109 19.606 -0.230 1.00 0.00 O ATOM 640 CB GLU A 54 8.323 21.518 -0.496 1.00 0.00 C ATOM 641 CG GLU A 54 7.982 20.621 0.734 1.00 0.00 C ATOM 642 CD GLU A 54 8.512 21.268 2.023 1.00 0.00 C ATOM 643 OE1 GLU A 54 8.596 22.491 2.071 1.00 0.00 O ATOM 644 OE2 GLU A 54 8.864 20.534 2.922 1.00 0.00 O ATOM 0 H GLU A 54 9.349 23.025 -2.140 1.00 0.00 H new ATOM 0 HA GLU A 54 10.357 21.944 0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.918 22.519 -0.346 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.849 21.113 -1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.903 20.482 0.805 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.423 19.632 0.606 1.00 0.00 H new ATOM 651 N LEU A 55 9.990 19.690 -2.170 1.00 0.00 N ATOM 652 CA LEU A 55 10.374 18.341 -2.561 1.00 0.00 C ATOM 653 C LEU A 55 11.829 18.264 -2.926 1.00 0.00 C ATOM 654 O LEU A 55 12.450 17.219 -2.742 1.00 0.00 O ATOM 655 CB LEU A 55 9.537 17.893 -3.782 1.00 0.00 C ATOM 656 CG LEU A 55 8.133 17.385 -3.309 1.00 0.00 C ATOM 657 CD1 LEU A 55 7.360 18.528 -2.605 1.00 0.00 C ATOM 658 CD2 LEU A 55 7.335 16.869 -4.519 1.00 0.00 C ATOM 0 H LEU A 55 9.408 20.181 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 55 10.191 17.687 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.417 18.724 -4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.058 17.101 -4.320 1.00 0.00 H new ATOM 0 HG LEU A 55 8.269 16.570 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.386 18.162 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.926 18.870 -1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.224 19.357 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.359 16.516 -4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.203 17.676 -5.239 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.877 16.048 -4.989 1.00 0.00 H new ATOM 670 N LYS A 56 12.351 19.333 -3.480 1.00 0.00 N ATOM 671 CA LYS A 56 13.720 19.327 -3.939 1.00 0.00 C ATOM 672 C LYS A 56 14.693 18.911 -2.838 1.00 0.00 C ATOM 673 O LYS A 56 15.581 18.073 -3.066 1.00 0.00 O ATOM 674 CB LYS A 56 14.106 20.735 -4.433 1.00 0.00 C ATOM 675 CG LYS A 56 15.532 20.716 -5.051 1.00 0.00 C ATOM 676 CD LYS A 56 15.894 22.116 -5.582 1.00 0.00 C ATOM 677 CE LYS A 56 17.300 22.073 -6.203 1.00 0.00 C ATOM 678 NZ LYS A 56 18.276 21.642 -5.160 1.00 0.00 N ATOM 0 H LYS A 56 11.853 20.212 -3.623 1.00 0.00 H new ATOM 0 HA LYS A 56 13.788 18.600 -4.748 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.385 21.078 -5.175 1.00 0.00 H new ATOM 0 HB3 LYS A 56 14.071 21.441 -3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 56 16.258 20.403 -4.301 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.577 19.988 -5.861 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.164 22.436 -6.326 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.863 22.845 -4.772 1.00 0.00 H new ATOM 0 HE2 LYS A 56 17.319 21.382 -7.046 1.00 0.00 H new ATOM 0 HE3 LYS A 56 17.571 23.055 -6.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 19.231 21.955 -5.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 18.016 22.064 -4.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 18.262 20.605 -5.079 1.00 0.00 H new ATOM 692 N CYS A 57 14.528 19.504 -1.668 1.00 0.00 N ATOM 693 CA CYS A 57 15.419 19.216 -0.548 1.00 0.00 C ATOM 694 C CYS A 57 15.313 17.762 -0.124 1.00 0.00 C ATOM 695 O CYS A 57 16.121 17.290 0.682 1.00 0.00 O ATOM 696 CB CYS A 57 15.060 20.121 0.643 1.00 0.00 C ATOM 697 SG CYS A 57 15.212 21.854 0.141 1.00 0.00 S ATOM 0 H CYS A 57 13.794 20.182 -1.466 1.00 0.00 H new ATOM 0 HA CYS A 57 16.443 19.409 -0.869 1.00 0.00 H new ATOM 0 HB2 CYS A 57 14.044 19.915 0.978 1.00 0.00 H new ATOM 0 HB3 CYS A 57 15.721 19.914 1.484 1.00 0.00 H new ATOM 0 HG CYS A 57 14.172 22.195 -0.561 1.00 0.00 H new ATOM 703 N ARG A 58 14.317 17.067 -0.664 1.00 0.00 N ATOM 704 CA ARG A 58 14.103 15.677 -0.322 1.00 0.00 C ATOM 705 C ARG A 58 14.963 14.760 -1.171 1.00 0.00 C ATOM 706 O ARG A 58 14.660 13.564 -1.319 1.00 0.00 O ATOM 707 CB ARG A 58 12.615 15.313 -0.512 1.00 0.00 C ATOM 708 CG ARG A 58 12.257 14.060 0.364 1.00 0.00 C ATOM 709 CD ARG A 58 11.559 14.523 1.653 1.00 0.00 C ATOM 710 NE ARG A 58 12.329 15.608 2.295 1.00 0.00 N ATOM 711 CZ ARG A 58 11.990 16.086 3.490 1.00 0.00 C ATOM 712 NH1 ARG A 58 10.957 15.589 4.113 1.00 0.00 N ATOM 713 NH2 ARG A 58 12.685 17.041 4.030 1.00 0.00 N ATOM 0 H ARG A 58 13.651 17.447 -1.337 1.00 0.00 H new ATOM 0 HA ARG A 58 14.386 15.541 0.722 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.986 16.157 -0.230 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.414 15.103 -1.563 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.606 13.386 -0.194 1.00 0.00 H new ATOM 0 HG3 ARG A 58 13.161 13.502 0.607 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.551 14.870 1.424 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.458 13.684 2.341 1.00 0.00 H new ATOM 0 HE ARG A 58 13.138 15.999 1.812 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.415 14.839 3.684 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.691 15.950 5.029 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.492 17.426 3.538 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.424 17.406 4.946 1.00 0.00 H new ATOM 727 N GLY A 59 16.038 15.302 -1.716 1.00 0.00 N ATOM 728 CA GLY A 59 16.955 14.514 -2.536 1.00 0.00 C ATOM 729 C GLY A 59 16.471 14.421 -3.963 1.00 0.00 C ATOM 730 O GLY A 59 17.035 13.664 -4.760 1.00 0.00 O ATOM 0 H GLY A 59 16.301 16.282 -1.609 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.946 14.967 -2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.053 13.513 -2.117 1.00 0.00 H new ATOM 734 N HIS A 60 15.423 15.183 -4.288 1.00 0.00 N ATOM 735 CA HIS A 60 14.858 15.178 -5.648 1.00 0.00 C ATOM 736 C HIS A 60 15.344 16.398 -6.406 1.00 0.00 C ATOM 737 O HIS A 60 15.678 17.424 -5.808 1.00 0.00 O ATOM 738 CB HIS A 60 13.322 15.197 -5.580 1.00 0.00 C ATOM 739 CG HIS A 60 12.840 14.013 -4.791 1.00 0.00 C ATOM 740 ND1 HIS A 60 13.477 12.784 -4.841 1.00 0.00 N ATOM 741 CD2 HIS A 60 11.789 13.857 -3.930 1.00 0.00 C ATOM 742 CE1 HIS A 60 12.810 11.948 -4.028 1.00 0.00 C ATOM 743 NE2 HIS A 60 11.770 12.553 -3.447 1.00 0.00 N ATOM 0 H HIS A 60 14.949 15.808 -3.636 1.00 0.00 H new ATOM 0 HA HIS A 60 15.183 14.274 -6.163 1.00 0.00 H new ATOM 0 HB2 HIS A 60 12.980 16.121 -5.115 1.00 0.00 H new ATOM 0 HB3 HIS A 60 12.903 15.172 -6.586 1.00 0.00 H new ATOM 0 HD2 HIS A 60 11.082 14.629 -3.665 1.00 0.00 H new ATOM 0 HE1 HIS A 60 13.081 10.915 -3.864 1.00 0.00 H new ATOM 0 HE2 HIS A 60 11.105 12.146 -2.790 1.00 0.00 H new ATOM 751 N ALA A 61 15.417 16.276 -7.737 1.00 0.00 N ATOM 752 CA ALA A 61 15.876 17.377 -8.584 1.00 0.00 C ATOM 753 C ALA A 61 14.711 18.286 -8.920 1.00 0.00 C ATOM 754 O ALA A 61 13.571 17.997 -8.583 1.00 0.00 O ATOM 755 CB ALA A 61 16.488 16.816 -9.876 1.00 0.00 C ATOM 0 H ALA A 61 15.165 15.429 -8.246 1.00 0.00 H new ATOM 0 HA ALA A 61 16.633 17.950 -8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.829 17.639 -10.504 1.00 0.00 H new ATOM 0 HB2 ALA A 61 17.333 16.174 -9.629 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.737 16.237 -10.413 1.00 0.00 H new ATOM 761 N ASP A 62 15.012 19.397 -9.580 1.00 0.00 N ATOM 762 CA ASP A 62 13.986 20.360 -9.974 1.00 0.00 C ATOM 763 C ASP A 62 13.231 19.888 -11.209 1.00 0.00 C ATOM 764 O ASP A 62 12.039 20.170 -11.367 1.00 0.00 O ATOM 765 CB ASP A 62 14.634 21.725 -10.279 1.00 0.00 C ATOM 766 CG ASP A 62 13.561 22.767 -10.625 1.00 0.00 C ATOM 767 OD1 ASP A 62 12.928 23.250 -9.705 1.00 0.00 O ATOM 768 OD2 ASP A 62 13.357 23.018 -11.801 1.00 0.00 O ATOM 0 H ASP A 62 15.959 19.656 -9.855 1.00 0.00 H new ATOM 0 HA ASP A 62 13.284 20.454 -9.146 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.210 22.061 -9.417 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.332 21.625 -11.110 1.00 0.00 H new ATOM 773 N ALA A 63 13.926 19.185 -12.087 1.00 0.00 N ATOM 774 CA ALA A 63 13.322 18.703 -13.325 1.00 0.00 C ATOM 775 C ALA A 63 12.473 17.468 -13.104 1.00 0.00 C ATOM 776 O ALA A 63 11.360 17.363 -13.624 1.00 0.00 O ATOM 777 CB ALA A 63 14.422 18.358 -14.339 1.00 0.00 C ATOM 0 H ALA A 63 14.908 18.934 -11.969 1.00 0.00 H new ATOM 0 HA ALA A 63 12.681 19.501 -13.700 1.00 0.00 H new ATOM 0 HB1 ALA A 63 13.967 17.999 -15.262 1.00 0.00 H new ATOM 0 HB2 ALA A 63 15.015 19.248 -14.550 1.00 0.00 H new ATOM 0 HB3 ALA A 63 15.067 17.582 -13.926 1.00 0.00 H new ATOM 783 N ASP A 64 12.990 16.508 -12.331 1.00 0.00 N ATOM 784 CA ASP A 64 12.291 15.256 -12.110 1.00 0.00 C ATOM 785 C ASP A 64 10.898 15.462 -11.547 1.00 0.00 C ATOM 786 O ASP A 64 9.946 14.800 -11.971 1.00 0.00 O ATOM 787 CB ASP A 64 13.106 14.390 -11.118 1.00 0.00 C ATOM 788 CG ASP A 64 14.484 14.059 -11.706 1.00 0.00 C ATOM 789 OD1 ASP A 64 15.035 14.903 -12.391 1.00 0.00 O ATOM 790 OD2 ASP A 64 14.962 12.958 -11.470 1.00 0.00 O ATOM 0 H ASP A 64 13.888 16.581 -11.853 1.00 0.00 H new ATOM 0 HA ASP A 64 12.190 14.762 -13.076 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.224 14.921 -10.174 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.565 13.469 -10.900 1.00 0.00 H new ATOM 795 N ILE A 65 10.785 16.363 -10.596 1.00 0.00 N ATOM 796 CA ILE A 65 9.503 16.624 -9.953 1.00 0.00 C ATOM 797 C ILE A 65 8.482 17.172 -10.937 1.00 0.00 C ATOM 798 O ILE A 65 7.276 17.137 -10.675 1.00 0.00 O ATOM 799 CB ILE A 65 9.697 17.623 -8.788 1.00 0.00 C ATOM 800 CG1 ILE A 65 10.419 18.906 -9.302 1.00 0.00 C ATOM 801 CG2 ILE A 65 10.558 16.958 -7.666 1.00 0.00 C ATOM 802 CD1 ILE A 65 10.424 19.982 -8.214 1.00 0.00 C ATOM 0 H ILE A 65 11.559 16.929 -10.247 1.00 0.00 H new ATOM 0 HA ILE A 65 9.122 15.678 -9.569 1.00 0.00 H new ATOM 0 HB ILE A 65 8.721 17.896 -8.387 1.00 0.00 H new ATOM 0 HG12 ILE A 65 11.442 18.665 -9.590 1.00 0.00 H new ATOM 0 HG13 ILE A 65 9.917 19.282 -10.193 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.694 17.663 -6.846 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.050 16.067 -7.298 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.531 16.680 -8.071 1.00 0.00 H new ATOM 0 HD11 ILE A 65 10.931 20.873 -8.585 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.398 20.234 -7.946 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.947 19.607 -7.334 1.00 0.00 H new ATOM 814 N GLU A 66 8.975 17.737 -12.030 1.00 0.00 N ATOM 815 CA GLU A 66 8.104 18.324 -13.014 1.00 0.00 C ATOM 816 C GLU A 66 7.279 17.270 -13.733 1.00 0.00 C ATOM 817 O GLU A 66 6.094 17.469 -13.991 1.00 0.00 O ATOM 818 CB GLU A 66 8.945 19.097 -14.066 1.00 0.00 C ATOM 819 CG GLU A 66 8.026 20.056 -14.886 1.00 0.00 C ATOM 820 CD GLU A 66 7.586 21.237 -14.014 1.00 0.00 C ATOM 821 OE1 GLU A 66 8.453 21.991 -13.607 1.00 0.00 O ATOM 822 OE2 GLU A 66 6.405 21.335 -13.720 1.00 0.00 O ATOM 0 H GLU A 66 9.969 17.797 -12.249 1.00 0.00 H new ATOM 0 HA GLU A 66 7.428 19.000 -12.491 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.728 19.668 -13.568 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.440 18.394 -14.736 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.559 20.421 -15.764 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.151 19.514 -15.246 1.00 0.00 H new ATOM 829 N ALA A 67 7.917 16.152 -14.053 1.00 0.00 N ATOM 830 CA ALA A 67 7.239 15.076 -14.774 1.00 0.00 C ATOM 831 C ALA A 67 6.033 14.554 -13.999 1.00 0.00 C ATOM 832 O ALA A 67 4.928 14.468 -14.533 1.00 0.00 O ATOM 833 CB ALA A 67 8.218 13.913 -15.006 1.00 0.00 C ATOM 0 H ALA A 67 8.894 15.964 -13.829 1.00 0.00 H new ATOM 0 HA ALA A 67 6.893 15.481 -15.725 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.711 13.112 -15.544 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.067 14.263 -15.593 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.572 13.538 -14.046 1.00 0.00 H new ATOM 839 N VAL A 68 6.252 14.216 -12.741 1.00 0.00 N ATOM 840 CA VAL A 68 5.184 13.677 -11.899 1.00 0.00 C ATOM 841 C VAL A 68 4.138 14.729 -11.606 1.00 0.00 C ATOM 842 O VAL A 68 3.001 14.396 -11.323 1.00 0.00 O ATOM 843 CB VAL A 68 5.784 13.138 -10.576 1.00 0.00 C ATOM 844 CG1 VAL A 68 6.760 11.966 -10.891 1.00 0.00 C ATOM 845 CG2 VAL A 68 6.560 14.267 -9.844 1.00 0.00 C ATOM 0 H VAL A 68 7.155 14.303 -12.275 1.00 0.00 H new ATOM 0 HA VAL A 68 4.700 12.862 -12.436 1.00 0.00 H new ATOM 0 HB VAL A 68 4.975 12.785 -9.936 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.183 11.585 -9.962 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.218 11.167 -11.397 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.563 12.324 -11.535 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.978 13.878 -8.915 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.367 14.627 -10.482 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.881 15.089 -9.620 1.00 0.00 H new ATOM 855 N PHE A 69 4.558 15.987 -11.589 1.00 0.00 N ATOM 856 CA PHE A 69 3.655 17.079 -11.291 1.00 0.00 C ATOM 857 C PHE A 69 2.864 17.449 -12.516 1.00 0.00 C ATOM 858 O PHE A 69 1.638 17.393 -12.499 1.00 0.00 O ATOM 859 CB PHE A 69 4.444 18.299 -10.790 1.00 0.00 C ATOM 860 CG PHE A 69 3.507 19.517 -10.694 1.00 0.00 C ATOM 861 CD1 PHE A 69 2.495 19.540 -9.715 1.00 0.00 C ATOM 862 CD2 PHE A 69 3.638 20.592 -11.591 1.00 0.00 C ATOM 863 CE1 PHE A 69 1.635 20.634 -9.635 1.00 0.00 C ATOM 864 CE2 PHE A 69 2.782 21.677 -11.505 1.00 0.00 C ATOM 865 CZ PHE A 69 1.781 21.706 -10.531 1.00 0.00 C ATOM 0 H PHE A 69 5.519 16.272 -11.779 1.00 0.00 H new ATOM 0 HA PHE A 69 2.967 16.757 -10.509 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.881 18.086 -9.814 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.269 18.515 -11.469 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.386 18.713 -9.029 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.408 20.571 -12.348 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.858 20.657 -8.885 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.889 22.503 -12.193 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.117 22.555 -10.467 1.00 0.00 H new ATOM 875 N ALA A 70 3.563 17.912 -13.568 1.00 0.00 N ATOM 876 CA ALA A 70 2.913 18.391 -14.798 1.00 0.00 C ATOM 877 C ALA A 70 1.715 17.537 -15.181 1.00 0.00 C ATOM 878 O ALA A 70 0.728 18.043 -15.692 1.00 0.00 O ATOM 879 CB ALA A 70 3.914 18.319 -15.966 1.00 0.00 C ATOM 0 H ALA A 70 4.581 17.964 -13.589 1.00 0.00 H new ATOM 0 HA ALA A 70 2.581 19.412 -14.607 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.435 18.673 -16.878 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.778 18.945 -15.744 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.239 17.288 -16.104 1.00 0.00 H new ATOM 885 N LYS A 71 1.791 16.261 -14.879 1.00 0.00 N ATOM 886 CA LYS A 71 0.714 15.323 -15.135 1.00 0.00 C ATOM 887 C LYS A 71 -0.624 15.786 -14.550 1.00 0.00 C ATOM 888 O LYS A 71 -1.646 15.143 -14.792 1.00 0.00 O ATOM 889 CB LYS A 71 1.063 13.933 -14.613 1.00 0.00 C ATOM 890 CG LYS A 71 0.728 13.820 -13.095 1.00 0.00 C ATOM 891 CD LYS A 71 1.289 12.508 -12.512 1.00 0.00 C ATOM 892 CE LYS A 71 0.558 11.297 -13.145 1.00 0.00 C ATOM 893 NZ LYS A 71 0.821 10.105 -12.326 1.00 0.00 N ATOM 0 H LYS A 71 2.610 15.837 -14.444 1.00 0.00 H new ATOM 0 HA LYS A 71 0.597 15.278 -16.218 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.508 13.179 -15.171 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.122 13.733 -14.774 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.149 14.671 -12.560 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.352 13.856 -12.952 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.359 12.441 -12.707 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.161 12.496 -11.430 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.514 11.489 -13.199 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.905 11.138 -14.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.335 9.284 -12.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.845 9.923 -12.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.470 10.263 -11.360 1.00 0.00 H new ATOM 907 N TYR A 72 -0.573 16.825 -13.719 1.00 0.00 N ATOM 908 CA TYR A 72 -1.756 17.347 -13.059 1.00 0.00 C ATOM 909 C TYR A 72 -2.168 18.692 -13.611 1.00 0.00 C ATOM 910 O TYR A 72 -3.251 19.170 -13.280 1.00 0.00 O ATOM 911 CB TYR A 72 -1.457 17.477 -11.551 1.00 0.00 C ATOM 912 CG TYR A 72 -1.360 16.082 -10.924 1.00 0.00 C ATOM 913 CD1 TYR A 72 -2.506 15.260 -10.882 1.00 0.00 C ATOM 914 CD2 TYR A 72 -0.153 15.612 -10.396 1.00 0.00 C ATOM 915 CE1 TYR A 72 -2.427 13.990 -10.322 1.00 0.00 C ATOM 916 CE2 TYR A 72 -0.081 14.344 -9.837 1.00 0.00 C ATOM 917 CZ TYR A 72 -1.215 13.532 -9.803 1.00 0.00 C ATOM 918 OH TYR A 72 -1.142 12.277 -9.240 1.00 0.00 O ATOM 0 H TYR A 72 0.287 17.323 -13.489 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.582 16.657 -13.236 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.524 18.020 -11.400 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.243 18.053 -11.062 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.443 15.617 -11.284 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.726 16.238 -10.424 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.302 13.358 -10.289 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.852 13.986 -9.428 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.228 12.111 -8.928 1.00 0.00 H new ATOM 928 N ASP A 73 -1.338 19.275 -14.460 1.00 0.00 N ATOM 929 CA ASP A 73 -1.646 20.582 -15.060 1.00 0.00 C ATOM 930 C ASP A 73 -2.412 20.371 -16.351 1.00 0.00 C ATOM 931 O ASP A 73 -1.976 20.796 -17.429 1.00 0.00 O ATOM 932 CB ASP A 73 -0.337 21.335 -15.341 1.00 0.00 C ATOM 933 CG ASP A 73 0.497 21.440 -14.073 1.00 0.00 C ATOM 934 OD1 ASP A 73 -0.053 21.287 -12.991 1.00 0.00 O ATOM 935 OD2 ASP A 73 1.680 21.674 -14.204 1.00 0.00 O ATOM 0 H ASP A 73 -0.448 18.874 -14.754 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.255 21.171 -14.374 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.229 20.816 -16.115 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.558 22.332 -15.722 1.00 0.00 H new ATOM 940 N VAL A 74 -3.564 19.721 -16.252 1.00 0.00 N ATOM 941 CA VAL A 74 -4.364 19.450 -17.440 1.00 0.00 C ATOM 942 C VAL A 74 -4.625 20.731 -18.238 1.00 0.00 C ATOM 943 O VAL A 74 -4.530 20.730 -19.464 1.00 0.00 O ATOM 944 CB VAL A 74 -5.720 18.818 -17.011 1.00 0.00 C ATOM 945 CG1 VAL A 74 -6.546 19.827 -16.151 1.00 0.00 C ATOM 946 CG2 VAL A 74 -6.543 18.414 -18.275 1.00 0.00 C ATOM 0 H VAL A 74 -3.961 19.377 -15.378 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.812 18.760 -18.078 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.513 17.930 -16.413 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.491 19.368 -15.860 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.981 20.092 -15.258 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.744 20.726 -16.735 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.491 17.972 -17.966 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.736 19.299 -18.882 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.978 17.688 -18.860 1.00 0.00 H new ATOM 956 N ASP A 75 -5.014 21.792 -17.535 1.00 0.00 N ATOM 957 CA ASP A 75 -5.346 23.052 -18.196 1.00 0.00 C ATOM 958 C ASP A 75 -4.076 23.804 -18.521 1.00 0.00 C ATOM 959 O ASP A 75 -4.096 24.751 -19.310 1.00 0.00 O ATOM 960 CB ASP A 75 -6.235 23.903 -17.261 1.00 0.00 C ATOM 961 CG ASP A 75 -5.606 24.007 -15.864 1.00 0.00 C ATOM 962 OD1 ASP A 75 -4.397 23.875 -15.751 1.00 0.00 O ATOM 963 OD2 ASP A 75 -6.351 24.203 -14.924 1.00 0.00 O ATOM 0 H ASP A 75 -5.107 21.806 -16.519 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.886 22.848 -19.120 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -6.365 24.900 -17.682 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.226 23.456 -17.187 1.00 0.00 H new ATOM 968 N GLY A 76 -2.960 23.390 -17.914 1.00 0.00 N ATOM 969 CA GLY A 76 -1.676 24.041 -18.162 1.00 0.00 C ATOM 970 C GLY A 76 -1.635 25.424 -17.538 1.00 0.00 C ATOM 971 O GLY A 76 -0.733 26.217 -17.840 1.00 0.00 O ATOM 0 H GLY A 76 -2.922 22.614 -17.253 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.870 23.431 -17.754 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.505 24.118 -19.236 1.00 0.00 H new ATOM 975 N ASP A 77 -2.629 25.726 -16.672 1.00 0.00 N ATOM 976 CA ASP A 77 -2.679 27.052 -16.047 1.00 0.00 C ATOM 977 C ASP A 77 -1.739 27.112 -14.874 1.00 0.00 C ATOM 978 O ASP A 77 -1.445 28.205 -14.407 1.00 0.00 O ATOM 979 CB ASP A 77 -4.125 27.322 -15.581 1.00 0.00 C ATOM 980 CG ASP A 77 -5.074 27.297 -16.784 1.00 0.00 C ATOM 981 OD1 ASP A 77 -4.611 27.460 -17.908 1.00 0.00 O ATOM 982 OD2 ASP A 77 -6.254 27.121 -16.560 1.00 0.00 O ATOM 0 H ASP A 77 -3.379 25.090 -16.402 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.373 27.810 -16.768 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.428 26.570 -14.852 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.181 28.290 -15.083 1.00 0.00 H new ATOM 987 N ARG A 78 -1.281 25.943 -14.407 1.00 0.00 N ATOM 988 CA ARG A 78 -0.343 25.875 -13.288 1.00 0.00 C ATOM 989 C ARG A 78 -0.977 26.324 -11.986 1.00 0.00 C ATOM 990 O ARG A 78 -0.282 26.868 -11.111 1.00 0.00 O ATOM 991 CB ARG A 78 0.888 26.762 -13.595 1.00 0.00 C ATOM 992 CG ARG A 78 1.487 26.330 -14.959 1.00 0.00 C ATOM 993 CD ARG A 78 2.682 27.225 -15.287 1.00 0.00 C ATOM 994 NE ARG A 78 3.721 27.045 -14.270 1.00 0.00 N ATOM 995 CZ ARG A 78 4.801 27.829 -14.236 1.00 0.00 C ATOM 996 NH1 ARG A 78 4.934 28.785 -15.118 1.00 0.00 N ATOM 997 NH2 ARG A 78 5.709 27.650 -13.327 1.00 0.00 N ATOM 0 H ARG A 78 -1.547 25.035 -14.789 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.042 24.834 -13.169 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.598 27.812 -13.626 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.633 26.660 -12.806 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.799 25.286 -14.919 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.733 26.408 -15.742 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.076 26.977 -16.273 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.369 28.269 -15.322 1.00 0.00 H new ATOM 0 HE ARG A 78 3.617 26.306 -13.574 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.215 28.929 -15.827 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.757 29.387 -15.097 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.599 26.908 -12.635 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.533 28.251 -13.304 1.00 0.00 H new ATOM 1011 N VAL A 79 -2.276 26.089 -11.847 1.00 0.00 N ATOM 1012 CA VAL A 79 -2.985 26.440 -10.620 1.00 0.00 C ATOM 1013 C VAL A 79 -3.920 25.317 -10.232 1.00 0.00 C ATOM 1014 O VAL A 79 -4.840 24.990 -10.983 1.00 0.00 O ATOM 1015 CB VAL A 79 -3.788 27.743 -10.823 1.00 0.00 C ATOM 1016 CG1 VAL A 79 -4.536 28.115 -9.508 1.00 0.00 C ATOM 1017 CG2 VAL A 79 -2.824 28.891 -11.213 1.00 0.00 C ATOM 0 H VAL A 79 -2.859 25.659 -12.565 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.258 26.595 -9.823 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.517 27.593 -11.620 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.100 29.035 -9.658 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.220 27.310 -9.238 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.812 28.260 -8.706 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.392 29.810 -11.356 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.092 29.037 -10.419 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.309 28.635 -12.139 1.00 0.00 H new ATOM 1027 N LEU A 80 -3.688 24.743 -9.039 1.00 0.00 N ATOM 1028 CA LEU A 80 -4.515 23.639 -8.544 1.00 0.00 C ATOM 1029 C LEU A 80 -4.898 23.839 -7.109 1.00 0.00 C ATOM 1030 O LEU A 80 -4.081 23.597 -6.213 1.00 0.00 O ATOM 1031 CB LEU A 80 -3.720 22.323 -8.661 1.00 0.00 C ATOM 1032 CG LEU A 80 -3.141 22.175 -10.116 1.00 0.00 C ATOM 1033 CD1 LEU A 80 -1.698 22.746 -10.162 1.00 0.00 C ATOM 1034 CD2 LEU A 80 -3.127 20.690 -10.527 1.00 0.00 C ATOM 0 H LEU A 80 -2.939 25.026 -8.407 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.424 23.602 -9.144 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.908 22.313 -7.934 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.366 21.476 -8.429 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.772 22.730 -10.811 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.298 22.643 -11.171 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.715 23.800 -9.884 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.067 22.197 -9.463 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.725 20.595 -11.536 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.503 20.126 -9.833 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.143 20.296 -10.503 1.00 0.00 H new ATOM 1046 N ASP A 81 -6.133 24.254 -6.892 1.00 0.00 N ATOM 1047 CA ASP A 81 -6.643 24.465 -5.538 1.00 0.00 C ATOM 1048 C ASP A 81 -7.483 23.279 -5.140 1.00 0.00 C ATOM 1049 O ASP A 81 -7.488 22.266 -5.834 1.00 0.00 O ATOM 1050 CB ASP A 81 -7.476 25.767 -5.484 1.00 0.00 C ATOM 1051 CG ASP A 81 -7.693 26.193 -4.027 1.00 0.00 C ATOM 1052 OD1 ASP A 81 -6.708 26.287 -3.315 1.00 0.00 O ATOM 1053 OD2 ASP A 81 -8.832 26.346 -3.630 1.00 0.00 O ATOM 0 H ASP A 81 -6.806 24.453 -7.632 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.811 24.565 -4.840 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.963 26.559 -6.030 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.438 25.613 -5.973 1.00 0.00 H new ATOM 1058 N ALA A 82 -8.239 23.418 -4.036 1.00 0.00 N ATOM 1059 CA ALA A 82 -9.132 22.361 -3.561 1.00 0.00 C ATOM 1060 C ALA A 82 -9.941 21.749 -4.715 1.00 0.00 C ATOM 1061 O ALA A 82 -10.481 20.658 -4.586 1.00 0.00 O ATOM 1062 CB ALA A 82 -10.097 22.933 -2.504 1.00 0.00 C ATOM 0 H ALA A 82 -8.245 24.258 -3.458 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.519 21.575 -3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.761 22.143 -2.152 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.525 23.327 -1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.689 23.734 -2.947 1.00 0.00 H new ATOM 1068 N GLU A 83 -10.012 22.476 -5.830 1.00 0.00 N ATOM 1069 CA GLU A 83 -10.756 21.997 -6.987 1.00 0.00 C ATOM 1070 C GLU A 83 -10.077 20.794 -7.610 1.00 0.00 C ATOM 1071 O GLU A 83 -10.653 19.709 -7.630 1.00 0.00 O ATOM 1072 CB GLU A 83 -10.850 23.138 -8.034 1.00 0.00 C ATOM 1073 CG GLU A 83 -11.911 24.180 -7.586 1.00 0.00 C ATOM 1074 CD GLU A 83 -11.482 24.859 -6.284 1.00 0.00 C ATOM 1075 OE1 GLU A 83 -11.755 24.298 -5.232 1.00 0.00 O ATOM 1076 OE2 GLU A 83 -10.854 25.893 -6.361 1.00 0.00 O ATOM 0 H GLU A 83 -9.569 23.386 -5.953 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.753 21.697 -6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.879 23.620 -8.147 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.118 22.729 -9.008 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.045 24.929 -8.366 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.874 23.689 -7.446 1.00 0.00 H new ATOM 1083 N GLU A 84 -8.861 20.984 -8.097 1.00 0.00 N ATOM 1084 CA GLU A 84 -8.095 19.891 -8.702 1.00 0.00 C ATOM 1085 C GLU A 84 -7.308 19.134 -7.657 1.00 0.00 C ATOM 1086 O GLU A 84 -6.922 17.979 -7.867 1.00 0.00 O ATOM 1087 CB GLU A 84 -7.146 20.444 -9.771 1.00 0.00 C ATOM 1088 CG GLU A 84 -7.963 21.059 -10.934 1.00 0.00 C ATOM 1089 CD GLU A 84 -7.021 21.648 -11.985 1.00 0.00 C ATOM 1090 OE1 GLU A 84 -6.014 21.017 -12.265 1.00 0.00 O ATOM 1091 OE2 GLU A 84 -7.314 22.723 -12.475 1.00 0.00 O ATOM 0 H GLU A 84 -8.378 21.882 -8.088 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.799 19.200 -9.166 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.493 21.200 -9.334 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.504 19.647 -10.147 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.595 20.296 -11.388 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.626 21.836 -10.552 1.00 0.00 H new ATOM 1098 N GLN A 85 -7.036 19.798 -6.533 1.00 0.00 N ATOM 1099 CA GLN A 85 -6.237 19.194 -5.485 1.00 0.00 C ATOM 1100 C GLN A 85 -6.914 17.947 -4.934 1.00 0.00 C ATOM 1101 O GLN A 85 -6.253 16.944 -4.664 1.00 0.00 O ATOM 1102 CB GLN A 85 -6.012 20.206 -4.349 1.00 0.00 C ATOM 1103 CG GLN A 85 -4.980 19.659 -3.327 1.00 0.00 C ATOM 1104 CD GLN A 85 -4.840 20.611 -2.150 1.00 0.00 C ATOM 1105 OE1 GLN A 85 -5.006 21.892 -2.333 1.00 0.00 O flip ATOM 1106 NE2 GLN A 85 -4.588 20.168 -1.036 1.00 0.00 N flip ATOM 0 H GLN A 85 -7.357 20.745 -6.333 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.277 18.905 -5.912 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.658 21.151 -4.761 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.957 20.412 -3.846 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.295 18.678 -2.973 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.013 19.527 -3.813 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.460 19.165 -0.903 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.506 20.802 -0.241 1.00 0.00 H new ATOM 1115 N MET A 86 -8.225 18.026 -4.730 1.00 0.00 N ATOM 1116 CA MET A 86 -8.966 16.895 -4.168 1.00 0.00 C ATOM 1117 C MET A 86 -8.757 15.663 -5.016 1.00 0.00 C ATOM 1118 O MET A 86 -8.507 14.579 -4.491 1.00 0.00 O ATOM 1119 CB MET A 86 -10.470 17.257 -4.112 1.00 0.00 C ATOM 1120 CG MET A 86 -10.745 18.198 -2.916 1.00 0.00 C ATOM 1121 SD MET A 86 -10.671 17.245 -1.365 1.00 0.00 S ATOM 1122 CE MET A 86 -11.321 18.522 -0.288 1.00 0.00 C ATOM 0 H MET A 86 -8.792 18.847 -4.941 1.00 0.00 H new ATOM 0 HA MET A 86 -8.604 16.684 -3.162 1.00 0.00 H new ATOM 0 HB2 MET A 86 -10.771 17.740 -5.042 1.00 0.00 H new ATOM 0 HB3 MET A 86 -11.067 16.350 -4.016 1.00 0.00 H new ATOM 0 HG2 MET A 86 -10.010 19.003 -2.896 1.00 0.00 H new ATOM 0 HG3 MET A 86 -11.725 18.663 -3.023 1.00 0.00 H new ATOM 0 HE1 MET A 86 -11.364 18.148 0.735 1.00 0.00 H new ATOM 0 HE2 MET A 86 -10.672 19.397 -0.327 1.00 0.00 H new ATOM 0 HE3 MET A 86 -12.323 18.799 -0.616 1.00 0.00 H new ATOM 1132 N LYS A 87 -8.861 15.830 -6.327 1.00 0.00 N ATOM 1133 CA LYS A 87 -8.678 14.711 -7.230 1.00 0.00 C ATOM 1134 C LYS A 87 -7.283 14.118 -7.074 1.00 0.00 C ATOM 1135 O LYS A 87 -7.104 12.898 -7.123 1.00 0.00 O ATOM 1136 CB LYS A 87 -8.873 15.186 -8.670 1.00 0.00 C ATOM 1137 CG LYS A 87 -8.860 13.960 -9.640 1.00 0.00 C ATOM 1138 CD LYS A 87 -9.242 14.412 -11.068 1.00 0.00 C ATOM 1139 CE LYS A 87 -8.161 15.369 -11.632 1.00 0.00 C ATOM 1140 NZ LYS A 87 -8.313 15.455 -13.092 1.00 0.00 N ATOM 0 H LYS A 87 -9.069 16.719 -6.781 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.412 13.942 -6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.817 15.723 -8.761 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.082 15.885 -8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.871 13.502 -9.647 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.560 13.201 -9.290 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.344 13.543 -11.718 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.210 14.913 -11.052 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.262 16.357 -11.184 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.166 15.004 -11.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.591 16.096 -13.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.197 14.510 -13.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.259 15.821 -13.322 1.00 0.00 H new ATOM 1154 N MET A 88 -6.299 14.992 -6.891 1.00 0.00 N ATOM 1155 CA MET A 88 -4.926 14.545 -6.727 1.00 0.00 C ATOM 1156 C MET A 88 -4.773 13.764 -5.427 1.00 0.00 C ATOM 1157 O MET A 88 -4.385 12.606 -5.433 1.00 0.00 O ATOM 1158 CB MET A 88 -3.976 15.759 -6.707 1.00 0.00 C ATOM 1159 CG MET A 88 -2.502 15.276 -6.713 1.00 0.00 C ATOM 1160 SD MET A 88 -1.402 16.709 -6.739 1.00 0.00 S ATOM 1161 CE MET A 88 -1.206 16.888 -4.948 1.00 0.00 C ATOM 0 H MET A 88 -6.427 16.003 -6.853 1.00 0.00 H new ATOM 0 HA MET A 88 -4.672 13.896 -7.565 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.164 16.393 -7.574 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.165 16.366 -5.821 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.304 14.667 -5.831 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.318 14.646 -7.583 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.550 17.733 -4.736 1.00 0.00 H new ATOM 0 HE2 MET A 88 -2.180 17.061 -4.491 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.769 15.978 -4.537 1.00 0.00 H new ATOM 1171 N ALA A 89 -5.079 14.413 -4.303 1.00 0.00 N ATOM 1172 CA ALA A 89 -4.949 13.773 -2.993 1.00 0.00 C ATOM 1173 C ALA A 89 -5.718 12.458 -2.954 1.00 0.00 C ATOM 1174 O ALA A 89 -5.319 11.516 -2.269 1.00 0.00 O ATOM 1175 CB ALA A 89 -5.489 14.714 -1.900 1.00 0.00 C ATOM 0 H ALA A 89 -5.416 15.375 -4.272 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.894 13.566 -2.815 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.391 14.235 -0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.919 15.643 -1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.540 14.931 -2.093 1.00 0.00 H new ATOM 1181 N HIS A 90 -6.827 12.405 -3.695 1.00 0.00 N ATOM 1182 CA HIS A 90 -7.653 11.203 -3.730 1.00 0.00 C ATOM 1183 C HIS A 90 -6.877 10.043 -4.346 1.00 0.00 C ATOM 1184 O HIS A 90 -6.925 8.920 -3.844 1.00 0.00 O ATOM 1185 CB HIS A 90 -8.936 11.470 -4.545 1.00 0.00 C ATOM 1186 CG HIS A 90 -9.821 10.247 -4.532 1.00 0.00 C ATOM 1187 ND1 HIS A 90 -9.713 9.255 -5.490 1.00 0.00 N ATOM 1188 CD2 HIS A 90 -10.800 9.838 -3.669 1.00 0.00 C ATOM 1189 CE1 HIS A 90 -10.605 8.303 -5.184 1.00 0.00 C ATOM 1190 NE2 HIS A 90 -11.297 8.609 -4.081 1.00 0.00 N ATOM 0 H HIS A 90 -7.169 13.173 -4.272 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.927 10.937 -2.709 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.472 12.321 -4.126 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.677 11.730 -5.571 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -11.135 10.386 -2.801 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -10.748 7.399 -5.758 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -12.032 8.058 -3.638 1.00 0.00 H new ATOM 1198 N ASP A 91 -6.202 10.314 -5.468 1.00 0.00 N ATOM 1199 CA ASP A 91 -5.447 9.276 -6.168 1.00 0.00 C ATOM 1200 C ASP A 91 -4.280 8.797 -5.321 1.00 0.00 C ATOM 1201 O ASP A 91 -3.939 7.616 -5.333 1.00 0.00 O ATOM 1202 CB ASP A 91 -4.930 9.829 -7.506 1.00 0.00 C ATOM 1203 CG ASP A 91 -6.106 10.230 -8.399 1.00 0.00 C ATOM 1204 OD1 ASP A 91 -7.054 9.463 -8.471 1.00 0.00 O ATOM 1205 OD2 ASP A 91 -6.040 11.289 -8.998 1.00 0.00 O ATOM 0 H ASP A 91 -6.164 11.235 -5.905 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.107 8.429 -6.354 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.288 10.692 -7.328 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.322 9.077 -8.008 1.00 0.00 H new ATOM 1210 N LEU A 92 -3.686 9.717 -4.575 1.00 0.00 N ATOM 1211 CA LEU A 92 -2.563 9.375 -3.708 1.00 0.00 C ATOM 1212 C LEU A 92 -2.987 8.506 -2.576 1.00 0.00 C ATOM 1213 O LEU A 92 -2.205 7.673 -2.109 1.00 0.00 O ATOM 1214 CB LEU A 92 -1.895 10.690 -3.176 1.00 0.00 C ATOM 1215 CG LEU A 92 -0.764 11.139 -4.154 1.00 0.00 C ATOM 1216 CD1 LEU A 92 0.408 10.095 -4.126 1.00 0.00 C ATOM 1217 CD2 LEU A 92 -1.325 11.262 -5.607 1.00 0.00 C ATOM 0 H LEU A 92 -3.959 10.700 -4.551 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.837 8.810 -4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.643 11.478 -3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.483 10.523 -2.181 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.389 12.112 -3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.195 10.413 -4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.811 10.028 -3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.033 9.119 -4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.527 11.576 -6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.713 10.296 -5.930 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.127 12.000 -5.626 1.00 0.00 H new ATOM 1229 N GLU A 93 -4.191 8.718 -2.115 1.00 0.00 N ATOM 1230 CA GLU A 93 -4.698 7.947 -0.996 1.00 0.00 C ATOM 1231 C GLU A 93 -5.022 6.527 -1.431 1.00 0.00 C ATOM 1232 O GLU A 93 -4.714 5.563 -0.722 1.00 0.00 O ATOM 1233 CB GLU A 93 -5.981 8.630 -0.421 1.00 0.00 C ATOM 1234 CG GLU A 93 -6.126 8.304 1.094 1.00 0.00 C ATOM 1235 CD GLU A 93 -6.288 6.792 1.296 1.00 0.00 C ATOM 1236 OE1 GLU A 93 -7.046 6.198 0.544 1.00 0.00 O ATOM 1237 OE2 GLU A 93 -5.603 6.246 2.143 1.00 0.00 O ATOM 0 H GLU A 93 -4.839 9.411 -2.489 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.931 7.908 -0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.924 9.709 -0.565 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.861 8.282 -0.962 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.249 8.659 1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.989 8.828 1.506 1.00 0.00 H new ATOM 1244 N GLY A 94 -5.671 6.403 -2.586 1.00 0.00 N ATOM 1245 CA GLY A 94 -6.063 5.090 -3.104 1.00 0.00 C ATOM 1246 C GLY A 94 -4.828 4.298 -3.492 1.00 0.00 C ATOM 1247 O GLY A 94 -4.662 3.143 -3.089 1.00 0.00 O ATOM 0 H GLY A 94 -5.936 7.189 -3.180 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.632 4.547 -2.349 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.715 5.211 -3.969 1.00 0.00 H new ATOM 1251 N GLN A 95 -3.948 4.927 -4.277 1.00 0.00 N ATOM 1252 CA GLN A 95 -2.722 4.268 -4.710 1.00 0.00 C ATOM 1253 C GLN A 95 -1.942 3.750 -3.515 1.00 0.00 C ATOM 1254 O GLN A 95 -1.350 2.679 -3.574 1.00 0.00 O ATOM 1255 CB GLN A 95 -1.849 5.260 -5.505 1.00 0.00 C ATOM 1256 CG GLN A 95 -0.671 4.504 -6.183 1.00 0.00 C ATOM 1257 CD GLN A 95 0.201 5.476 -6.953 1.00 0.00 C ATOM 1258 OE1 GLN A 95 0.392 5.314 -8.155 1.00 0.00 O ATOM 1259 NE2 GLN A 95 0.730 6.490 -6.331 1.00 0.00 N ATOM 0 H GLN A 95 -4.063 5.881 -4.620 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.989 3.424 -5.346 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.452 5.764 -6.261 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.462 6.032 -4.839 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.076 3.990 -5.428 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.059 3.740 -6.857 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.566 6.617 -5.332 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.308 7.157 -6.842 1.00 0.00 H new ATOM 1268 N LYS A 96 -1.944 4.525 -2.435 1.00 0.00 N ATOM 1269 CA LYS A 96 -1.236 4.135 -1.235 1.00 0.00 C ATOM 1270 C LYS A 96 -1.838 2.867 -0.636 1.00 0.00 C ATOM 1271 O LYS A 96 -1.121 1.985 -0.162 1.00 0.00 O ATOM 1272 CB LYS A 96 -1.300 5.268 -0.209 1.00 0.00 C ATOM 1273 CG LYS A 96 -0.434 4.907 1.037 1.00 0.00 C ATOM 1274 CD LYS A 96 -0.391 6.112 2.018 1.00 0.00 C ATOM 1275 CE LYS A 96 0.765 7.058 1.627 1.00 0.00 C ATOM 1276 NZ LYS A 96 0.745 8.227 2.519 1.00 0.00 N ATOM 0 H LYS A 96 -2.427 5.421 -2.372 1.00 0.00 H new ATOM 0 HA LYS A 96 -0.197 3.934 -1.497 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.941 6.195 -0.656 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.333 5.439 0.093 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.849 4.033 1.539 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.577 4.645 0.725 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.339 6.649 1.991 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.254 5.757 3.040 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.720 6.539 1.707 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.659 7.374 0.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.510 8.880 2.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.170 8.713 2.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.881 7.916 3.502 1.00 0.00 H new ATOM 1290 N SER A 97 -3.161 2.810 -0.610 1.00 0.00 N ATOM 1291 CA SER A 97 -3.860 1.667 -0.027 1.00 0.00 C ATOM 1292 C SER A 97 -3.617 0.421 -0.867 1.00 0.00 C ATOM 1293 O SER A 97 -3.603 -0.695 -0.343 1.00 0.00 O ATOM 1294 CB SER A 97 -5.364 1.960 0.054 1.00 0.00 C ATOM 1295 OG SER A 97 -5.574 3.086 0.895 1.00 0.00 O ATOM 0 H SER A 97 -3.773 3.536 -0.983 1.00 0.00 H new ATOM 0 HA SER A 97 -3.477 1.494 0.979 1.00 0.00 H new ATOM 0 HB2 SER A 97 -5.763 2.155 -0.941 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.895 1.093 0.447 1.00 0.00 H new ATOM 0 HG SER A 97 -5.311 3.902 0.421 1.00 0.00 H new ATOM 1301 N ASP A 98 -3.462 0.617 -2.177 1.00 0.00 N ATOM 1302 CA ASP A 98 -3.271 -0.509 -3.095 1.00 0.00 C ATOM 1303 C ASP A 98 -1.965 -1.224 -2.804 1.00 0.00 C ATOM 1304 O ASP A 98 -1.782 -2.372 -3.196 1.00 0.00 O ATOM 1305 CB ASP A 98 -3.276 0.003 -4.547 1.00 0.00 C ATOM 1306 CG ASP A 98 -4.629 0.640 -4.881 1.00 0.00 C ATOM 1307 OD1 ASP A 98 -5.636 0.170 -4.371 1.00 0.00 O ATOM 1308 OD2 ASP A 98 -4.642 1.583 -5.649 1.00 0.00 O ATOM 0 H ASP A 98 -3.465 1.534 -2.624 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.088 -1.217 -2.955 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.479 0.733 -4.685 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.076 -0.821 -5.231 1.00 0.00 H new ATOM 1313 N LEU A 99 -1.071 -0.546 -2.103 1.00 0.00 N ATOM 1314 CA LEU A 99 0.222 -1.135 -1.747 1.00 0.00 C ATOM 1315 C LEU A 99 0.042 -2.332 -0.859 1.00 0.00 C ATOM 1316 O LEU A 99 0.765 -3.314 -0.984 1.00 0.00 O ATOM 1317 CB LEU A 99 1.086 -0.083 -1.026 1.00 0.00 C ATOM 1318 CG LEU A 99 1.216 1.198 -1.907 1.00 0.00 C ATOM 1319 CD1 LEU A 99 1.992 2.282 -1.136 1.00 0.00 C ATOM 1320 CD2 LEU A 99 1.941 0.869 -3.242 1.00 0.00 C ATOM 0 H LEU A 99 -1.210 0.407 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 99 0.717 -1.458 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.638 0.171 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.074 -0.493 -0.818 1.00 0.00 H new ATOM 0 HG LEU A 99 0.217 1.568 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.081 3.175 -1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.458 2.528 -0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.987 1.911 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.023 1.774 -3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.938 0.483 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.371 0.119 -3.790 1.00 0.00 H new ATOM 1332 N ASN A 100 -0.917 -2.244 0.053 1.00 0.00 N ATOM 1333 CA ASN A 100 -1.169 -3.340 0.984 1.00 0.00 C ATOM 1334 C ASN A 100 -1.428 -4.640 0.230 1.00 0.00 C ATOM 1335 O ASN A 100 -0.787 -5.652 0.494 1.00 0.00 O ATOM 1336 CB ASN A 100 -2.398 -3.005 1.853 1.00 0.00 C ATOM 1337 CG ASN A 100 -2.132 -1.754 2.685 1.00 0.00 C ATOM 1338 OD1 ASN A 100 -1.615 -1.851 3.798 1.00 0.00 O ATOM 1339 ND2 ASN A 100 -2.433 -0.583 2.200 1.00 0.00 N ATOM 0 H ASN A 100 -1.528 -1.436 0.169 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.289 -3.468 1.614 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -3.270 -2.849 1.218 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -2.628 -3.844 2.509 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -2.240 0.259 2.743 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -2.861 -0.508 1.277 1.00 0.00 H new ATOM 1346 N ASN A 101 -2.368 -4.596 -0.714 1.00 0.00 N ATOM 1347 CA ASN A 101 -2.709 -5.780 -1.497 1.00 0.00 C ATOM 1348 C ASN A 101 -1.579 -6.145 -2.444 1.00 0.00 C ATOM 1349 O ASN A 101 -1.242 -7.324 -2.598 1.00 0.00 O ATOM 1350 CB ASN A 101 -3.997 -5.519 -2.297 1.00 0.00 C ATOM 1351 CG ASN A 101 -5.144 -5.186 -1.344 1.00 0.00 C ATOM 1352 OD1 ASN A 101 -5.169 -5.657 -0.204 1.00 0.00 O ATOM 1353 ND2 ASN A 101 -6.102 -4.402 -1.745 1.00 0.00 N ATOM 0 H ASN A 101 -2.902 -3.760 -0.953 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.867 -6.614 -0.813 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -3.842 -4.696 -2.994 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -4.250 -6.397 -2.892 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -6.873 -4.177 -1.117 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -6.081 -4.012 -2.687 1.00 0.00 H new ATOM 1360 N GLN A 102 -1.021 -5.135 -3.102 1.00 0.00 N ATOM 1361 CA GLN A 102 0.037 -5.371 -4.071 1.00 0.00 C ATOM 1362 C GLN A 102 1.243 -6.015 -3.412 1.00 0.00 C ATOM 1363 O GLN A 102 1.740 -7.048 -3.870 1.00 0.00 O ATOM 1364 CB GLN A 102 0.457 -4.033 -4.730 1.00 0.00 C ATOM 1365 CG GLN A 102 1.304 -4.310 -6.008 1.00 0.00 C ATOM 1366 CD GLN A 102 0.409 -4.871 -7.118 1.00 0.00 C ATOM 1367 OE1 GLN A 102 -0.608 -4.265 -7.456 1.00 0.00 O ATOM 1368 NE2 GLN A 102 0.699 -6.018 -7.659 1.00 0.00 N ATOM 0 H GLN A 102 -1.281 -4.156 -2.983 1.00 0.00 H new ATOM 0 HA GLN A 102 -0.345 -6.050 -4.833 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.428 -3.452 -4.989 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.034 -3.436 -4.024 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.781 -3.390 -6.345 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.101 -5.017 -5.780 1.00 0.00 H new ATOM 0 HE21 GLN A 102 1.543 -6.517 -7.376 1.00 0.00 H new ATOM 0 HE22 GLN A 102 0.083 -6.419 -8.366 1.00 0.00 H new ATOM 1377 N LEU A 103 1.708 -5.396 -2.342 1.00 0.00 N ATOM 1378 CA LEU A 103 2.858 -5.906 -1.628 1.00 0.00 C ATOM 1379 C LEU A 103 2.449 -6.980 -0.644 1.00 0.00 C ATOM 1380 O LEU A 103 3.299 -7.522 0.074 1.00 0.00 O ATOM 1381 CB LEU A 103 3.563 -4.740 -0.867 1.00 0.00 C ATOM 1382 CG LEU A 103 5.105 -4.799 -1.107 1.00 0.00 C ATOM 1383 CD1 LEU A 103 5.772 -3.566 -0.485 1.00 0.00 C ATOM 1384 CD2 LEU A 103 5.686 -6.100 -0.472 1.00 0.00 C ATOM 0 H LEU A 103 1.307 -4.543 -1.952 1.00 0.00 H new ATOM 0 HA LEU A 103 3.546 -6.343 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.170 -3.782 -1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 103 3.350 -4.810 0.200 1.00 0.00 H new ATOM 0 HG LEU A 103 5.305 -4.808 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.848 -3.610 -0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.369 -2.664 -0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.574 -3.547 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.762 -6.138 -0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.487 -6.102 0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.216 -6.970 -0.930 1.00 0.00 H new