USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 535 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 Single : A 10 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0164) USER MOD Single : A 14 SER OG : rot 64:sc= 1.11 USER MOD Single : A 20 CYS SG : rot 180:sc= -0.466 USER MOD Single : A 21 SER OG : rot -37:sc= 0.561 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.00906) USER MOD Single : A 28 LYS NZ :NH3+ -117:sc= -0.0043 (180deg=-0.121) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc=-0.00951 K(o=-0.0095,f=-3.7!) USER MOD Single : A 35 SER OG : rot 180:sc=7.22e-05 USER MOD Single : A 39 THR OG1 : rot 108:sc= -0.46 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.97 K(o=-2,f=-5.2!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -141:sc=-0.00117 (180deg=-0.127) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.68 K(o=-0.68,f=-2.6!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.83 K(o=-1.8,f=-3.6!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 136 N PRO A 9 1.582 15.685 2.114 1.00 0.00 N ATOM 137 CA PRO A 9 1.503 14.225 2.390 1.00 0.00 C ATOM 138 C PRO A 9 0.628 13.930 3.620 1.00 0.00 C ATOM 139 O PRO A 9 1.053 13.250 4.535 1.00 0.00 O ATOM 140 CB PRO A 9 2.953 13.838 2.671 1.00 0.00 C ATOM 141 CG PRO A 9 3.606 15.092 3.160 1.00 0.00 C ATOM 142 CD PRO A 9 2.870 16.253 2.546 1.00 0.00 C ATOM 0 HA PRO A 9 1.055 13.671 1.565 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.012 13.046 3.418 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.442 13.464 1.772 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.567 15.145 4.248 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.658 15.112 2.877 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.727 17.058 3.266 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.421 16.672 1.704 1.00 0.00 H new ATOM 150 N LYS A 10 -0.587 14.421 3.651 1.00 0.00 N ATOM 151 CA LYS A 10 -1.469 14.157 4.818 1.00 0.00 C ATOM 152 C LYS A 10 -1.930 12.700 4.813 1.00 0.00 C ATOM 153 O LYS A 10 -1.829 12.012 3.816 1.00 0.00 O ATOM 154 CB LYS A 10 -2.660 15.101 4.639 1.00 0.00 C ATOM 155 CG LYS A 10 -2.879 15.891 5.923 1.00 0.00 C ATOM 156 CD LYS A 10 -2.191 17.253 5.813 1.00 0.00 C ATOM 157 CE LYS A 10 -2.999 18.299 6.585 1.00 0.00 C ATOM 158 NZ LYS A 10 -1.987 19.269 7.090 1.00 0.00 N ATOM 0 H LYS A 10 -1.002 14.993 2.915 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.959 14.324 5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.477 15.781 3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.556 14.531 4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.946 16.025 6.102 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.480 15.339 6.774 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.178 17.194 6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.105 17.545 4.766 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.729 18.789 5.941 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.553 17.843 7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.469 20.054 7.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.350 18.790 7.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.434 19.641 6.292 1.00 0.00 H new ATOM 172 N ARG A 11 -2.442 12.229 5.922 1.00 0.00 N ATOM 173 CA ARG A 11 -2.927 10.812 6.007 1.00 0.00 C ATOM 174 C ARG A 11 -1.880 9.821 5.466 1.00 0.00 C ATOM 175 O ARG A 11 -1.834 9.570 4.278 1.00 0.00 O ATOM 176 CB ARG A 11 -4.192 10.773 5.150 1.00 0.00 C ATOM 177 CG ARG A 11 -5.408 11.131 6.017 1.00 0.00 C ATOM 178 CD ARG A 11 -5.903 12.538 5.663 1.00 0.00 C ATOM 179 NE ARG A 11 -7.075 12.767 6.553 1.00 0.00 N ATOM 180 CZ ARG A 11 -7.116 13.824 7.319 1.00 0.00 C ATOM 181 NH1 ARG A 11 -6.079 14.145 8.044 1.00 0.00 N ATOM 182 NH2 ARG A 11 -8.192 14.559 7.359 1.00 0.00 N ATOM 0 H ARG A 11 -2.547 12.768 6.781 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.114 10.518 7.040 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.104 11.475 4.320 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.320 9.781 4.716 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.205 10.405 5.859 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.140 11.085 7.072 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.127 13.284 5.832 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.186 12.605 4.612 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.845 12.099 6.564 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.237 13.570 8.012 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.111 14.970 8.642 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.002 14.309 6.792 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.224 15.384 7.957 1.00 0.00 H new ATOM 196 N PRO A 12 -1.078 9.274 6.354 1.00 0.00 N ATOM 197 CA PRO A 12 -0.048 8.298 5.924 1.00 0.00 C ATOM 198 C PRO A 12 -0.717 6.960 5.564 1.00 0.00 C ATOM 199 O PRO A 12 -1.592 6.509 6.276 1.00 0.00 O ATOM 200 CB PRO A 12 0.844 8.146 7.151 1.00 0.00 C ATOM 201 CG PRO A 12 -0.024 8.512 8.311 1.00 0.00 C ATOM 202 CD PRO A 12 -1.045 9.501 7.808 1.00 0.00 C ATOM 0 HA PRO A 12 0.509 8.616 5.043 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.216 7.126 7.244 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.715 8.799 7.089 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.513 7.628 8.720 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.570 8.947 9.114 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.022 9.330 8.260 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.758 10.526 8.045 1.00 0.00 H new ATOM 210 N PRO A 13 -0.297 6.362 4.469 1.00 0.00 N ATOM 211 CA PRO A 13 -0.895 5.074 4.048 1.00 0.00 C ATOM 212 C PRO A 13 -0.290 3.919 4.849 1.00 0.00 C ATOM 213 O PRO A 13 0.701 4.084 5.537 1.00 0.00 O ATOM 214 CB PRO A 13 -0.523 4.970 2.574 1.00 0.00 C ATOM 215 CG PRO A 13 0.712 5.803 2.410 1.00 0.00 C ATOM 216 CD PRO A 13 0.748 6.809 3.535 1.00 0.00 C ATOM 0 HA PRO A 13 -1.971 5.026 4.213 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.338 3.934 2.289 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.330 5.336 1.939 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.602 5.174 2.433 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.704 6.310 1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.726 6.831 4.016 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.549 7.817 3.171 1.00 0.00 H new ATOM 224 N SER A 14 -0.882 2.754 4.768 1.00 0.00 N ATOM 225 CA SER A 14 -0.347 1.584 5.527 1.00 0.00 C ATOM 226 C SER A 14 -0.886 0.273 4.941 1.00 0.00 C ATOM 227 O SER A 14 -1.646 -0.434 5.573 1.00 0.00 O ATOM 228 CB SER A 14 -0.849 1.784 6.956 1.00 0.00 C ATOM 229 OG SER A 14 -2.243 1.510 7.009 1.00 0.00 O ATOM 0 H SER A 14 -1.713 2.563 4.209 1.00 0.00 H new ATOM 0 HA SER A 14 0.740 1.522 5.480 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.311 1.125 7.638 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.655 2.806 7.282 1.00 0.00 H new ATOM 0 HG SER A 14 -2.399 0.567 6.793 1.00 0.00 H new ATOM 235 N ALA A 15 -0.504 -0.054 3.726 1.00 0.00 N ATOM 236 CA ALA A 15 -0.987 -1.314 3.066 1.00 0.00 C ATOM 237 C ALA A 15 -2.494 -1.231 2.819 1.00 0.00 C ATOM 238 O ALA A 15 -2.930 -0.992 1.708 1.00 0.00 O ATOM 239 CB ALA A 15 -0.642 -2.477 4.011 1.00 0.00 C ATOM 0 H ALA A 15 0.130 0.506 3.156 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.510 -1.462 2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.976 -3.416 3.570 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.436 -2.512 4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.141 -2.328 4.968 1.00 0.00 H new ATOM 245 N PHE A 16 -3.296 -1.427 3.836 1.00 0.00 N ATOM 246 CA PHE A 16 -4.786 -1.361 3.658 1.00 0.00 C ATOM 247 C PHE A 16 -5.195 -0.068 2.948 1.00 0.00 C ATOM 248 O PHE A 16 -6.033 -0.072 2.065 1.00 0.00 O ATOM 249 CB PHE A 16 -5.349 -1.376 5.076 1.00 0.00 C ATOM 250 CG PHE A 16 -6.803 -1.781 5.042 1.00 0.00 C ATOM 251 CD1 PHE A 16 -7.185 -2.978 4.423 1.00 0.00 C ATOM 252 CD2 PHE A 16 -7.771 -0.958 5.633 1.00 0.00 C ATOM 253 CE1 PHE A 16 -8.533 -3.351 4.394 1.00 0.00 C ATOM 254 CE2 PHE A 16 -9.119 -1.332 5.602 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.501 -2.529 4.983 1.00 0.00 C ATOM 0 H PHE A 16 -2.985 -1.631 4.786 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.157 -2.186 3.049 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.782 -2.071 5.695 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.247 -0.390 5.529 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.439 -3.613 3.968 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.477 -0.036 6.112 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.827 -4.274 3.917 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -9.866 -0.697 6.056 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.541 -2.818 4.960 1.00 0.00 H new ATOM 265 N PHE A 17 -4.601 1.034 3.324 1.00 0.00 N ATOM 266 CA PHE A 17 -4.943 2.331 2.672 1.00 0.00 C ATOM 267 C PHE A 17 -4.553 2.291 1.192 1.00 0.00 C ATOM 268 O PHE A 17 -5.107 3.006 0.381 1.00 0.00 O ATOM 269 CB PHE A 17 -4.122 3.388 3.414 1.00 0.00 C ATOM 270 CG PHE A 17 -4.902 4.678 3.483 1.00 0.00 C ATOM 271 CD1 PHE A 17 -4.969 5.518 2.365 1.00 0.00 C ATOM 272 CD2 PHE A 17 -5.560 5.035 4.666 1.00 0.00 C ATOM 273 CE1 PHE A 17 -5.693 6.714 2.430 1.00 0.00 C ATOM 274 CE2 PHE A 17 -6.284 6.232 4.731 1.00 0.00 C ATOM 275 CZ PHE A 17 -6.351 7.071 3.613 1.00 0.00 C ATOM 0 H PHE A 17 -3.893 1.091 4.056 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.011 2.546 2.719 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.886 3.040 4.420 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.174 3.552 2.902 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.462 5.243 1.452 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.509 4.387 5.529 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.744 7.362 1.567 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.791 6.508 5.644 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.910 7.994 3.663 1.00 0.00 H new ATOM 285 N LEU A 18 -3.598 1.465 0.838 1.00 0.00 N ATOM 286 CA LEU A 18 -3.162 1.383 -0.590 1.00 0.00 C ATOM 287 C LEU A 18 -4.069 0.427 -1.370 1.00 0.00 C ATOM 288 O LEU A 18 -4.403 0.673 -2.513 1.00 0.00 O ATOM 289 CB LEU A 18 -1.729 0.825 -0.560 1.00 0.00 C ATOM 290 CG LEU A 18 -0.849 1.610 0.426 1.00 0.00 C ATOM 291 CD1 LEU A 18 0.569 1.040 0.403 1.00 0.00 C ATOM 292 CD2 LEU A 18 -0.806 3.087 0.021 1.00 0.00 C ATOM 0 H LEU A 18 -3.102 0.844 1.477 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.212 2.357 -1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.751 -0.227 -0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.295 0.875 -1.559 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.267 1.522 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.196 1.595 1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.544 -0.010 0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.980 1.128 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.181 3.639 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.391 3.177 -0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.816 3.497 0.034 1.00 0.00 H new ATOM 304 N PHE A 19 -4.461 -0.663 -0.761 1.00 0.00 N ATOM 305 CA PHE A 19 -5.339 -1.649 -1.464 1.00 0.00 C ATOM 306 C PHE A 19 -6.737 -1.065 -1.675 1.00 0.00 C ATOM 307 O PHE A 19 -7.267 -1.089 -2.770 1.00 0.00 O ATOM 308 CB PHE A 19 -5.403 -2.865 -0.537 1.00 0.00 C ATOM 309 CG PHE A 19 -6.086 -4.007 -1.251 1.00 0.00 C ATOM 310 CD1 PHE A 19 -7.482 -4.113 -1.227 1.00 0.00 C ATOM 311 CD2 PHE A 19 -5.323 -4.961 -1.934 1.00 0.00 C ATOM 312 CE1 PHE A 19 -8.115 -5.172 -1.887 1.00 0.00 C ATOM 313 CE2 PHE A 19 -5.956 -6.022 -2.594 1.00 0.00 C ATOM 314 CZ PHE A 19 -7.352 -6.127 -2.571 1.00 0.00 C ATOM 0 H PHE A 19 -4.211 -0.914 0.195 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.952 -1.908 -2.449 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.398 -3.160 -0.236 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.947 -2.614 0.373 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.070 -3.377 -0.699 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.246 -4.879 -1.952 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.192 -5.253 -1.869 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.367 -6.759 -3.120 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.841 -6.944 -3.081 1.00 0.00 H new ATOM 324 N CYS A 20 -7.336 -0.542 -0.636 1.00 0.00 N ATOM 325 CA CYS A 20 -8.704 0.046 -0.774 1.00 0.00 C ATOM 326 C CYS A 20 -8.656 1.283 -1.674 1.00 0.00 C ATOM 327 O CYS A 20 -9.593 1.576 -2.393 1.00 0.00 O ATOM 328 CB CYS A 20 -9.125 0.431 0.645 1.00 0.00 C ATOM 329 SG CYS A 20 -10.867 0.920 0.645 1.00 0.00 S ATOM 0 H CYS A 20 -6.938 -0.496 0.302 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.407 -0.653 -1.227 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.972 -0.410 1.322 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.506 1.251 1.010 1.00 0.00 H new ATOM 0 HG CYS A 20 -11.226 1.245 1.851 1.00 0.00 H new ATOM 335 N SER A 21 -7.575 2.017 -1.627 1.00 0.00 N ATOM 336 CA SER A 21 -7.461 3.248 -2.466 1.00 0.00 C ATOM 337 C SER A 21 -7.030 2.915 -3.904 1.00 0.00 C ATOM 338 O SER A 21 -6.864 3.805 -4.717 1.00 0.00 O ATOM 339 CB SER A 21 -6.394 4.098 -1.778 1.00 0.00 C ATOM 340 OG SER A 21 -6.294 5.352 -2.440 1.00 0.00 O ATOM 0 H SER A 21 -6.764 1.817 -1.042 1.00 0.00 H new ATOM 0 HA SER A 21 -8.419 3.762 -2.547 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.651 4.247 -0.729 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.433 3.584 -1.800 1.00 0.00 H new ATOM 0 HG SER A 21 -6.419 5.224 -3.404 1.00 0.00 H new ATOM 346 N GLU A 22 -6.842 1.654 -4.232 1.00 0.00 N ATOM 347 CA GLU A 22 -6.417 1.304 -5.624 1.00 0.00 C ATOM 348 C GLU A 22 -7.237 0.136 -6.197 1.00 0.00 C ATOM 349 O GLU A 22 -6.989 -0.303 -7.305 1.00 0.00 O ATOM 350 CB GLU A 22 -4.951 0.905 -5.495 1.00 0.00 C ATOM 351 CG GLU A 22 -4.097 2.153 -5.267 1.00 0.00 C ATOM 352 CD GLU A 22 -3.865 2.865 -6.601 1.00 0.00 C ATOM 353 OE1 GLU A 22 -2.910 2.519 -7.277 1.00 0.00 O ATOM 354 OE2 GLU A 22 -4.646 3.745 -6.924 1.00 0.00 O ATOM 0 H GLU A 22 -6.964 0.862 -3.601 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.570 2.140 -6.306 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.825 0.209 -4.665 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.624 0.388 -6.397 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.595 2.824 -4.567 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.142 1.876 -4.820 1.00 0.00 H new ATOM 361 N TYR A 23 -8.198 -0.380 -5.465 1.00 0.00 N ATOM 362 CA TYR A 23 -9.008 -1.523 -5.993 1.00 0.00 C ATOM 363 C TYR A 23 -10.446 -1.083 -6.288 1.00 0.00 C ATOM 364 O TYR A 23 -11.114 -1.652 -7.130 1.00 0.00 O ATOM 365 CB TYR A 23 -8.984 -2.573 -4.882 1.00 0.00 C ATOM 366 CG TYR A 23 -7.795 -3.483 -5.077 1.00 0.00 C ATOM 367 CD1 TYR A 23 -6.497 -2.988 -4.902 1.00 0.00 C ATOM 368 CD2 TYR A 23 -7.990 -4.823 -5.437 1.00 0.00 C ATOM 369 CE1 TYR A 23 -5.395 -3.832 -5.084 1.00 0.00 C ATOM 370 CE2 TYR A 23 -6.888 -5.666 -5.620 1.00 0.00 C ATOM 371 CZ TYR A 23 -5.590 -5.170 -5.444 1.00 0.00 C ATOM 372 OH TYR A 23 -4.503 -6.002 -5.624 1.00 0.00 O ATOM 0 H TYR A 23 -8.454 -0.061 -4.531 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.605 -1.907 -6.930 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.928 -2.087 -3.908 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.906 -3.154 -4.895 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.346 -1.955 -4.627 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.991 -5.205 -5.573 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.394 -3.450 -4.947 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.038 -6.699 -5.897 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.814 -6.898 -5.870 1.00 0.00 H new ATOM 382 N ARG A 24 -10.929 -0.079 -5.600 1.00 0.00 N ATOM 383 CA ARG A 24 -12.327 0.404 -5.833 1.00 0.00 C ATOM 384 C ARG A 24 -12.626 0.626 -7.328 1.00 0.00 C ATOM 385 O ARG A 24 -13.607 0.107 -7.813 1.00 0.00 O ATOM 386 CB ARG A 24 -12.440 1.719 -5.070 1.00 0.00 C ATOM 387 CG ARG A 24 -12.396 1.442 -3.567 1.00 0.00 C ATOM 388 CD ARG A 24 -12.404 2.766 -2.803 1.00 0.00 C ATOM 389 NE ARG A 24 -13.846 3.104 -2.640 1.00 0.00 N ATOM 390 CZ ARG A 24 -14.248 3.751 -1.581 1.00 0.00 C ATOM 391 NH1 ARG A 24 -14.363 3.128 -0.441 1.00 0.00 N ATOM 392 NH2 ARG A 24 -14.540 5.021 -1.665 1.00 0.00 N ATOM 0 H ARG A 24 -10.413 0.430 -4.883 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.049 -0.338 -5.492 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.625 2.386 -5.352 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.370 2.224 -5.330 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.253 0.835 -3.273 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.501 0.872 -3.318 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.909 2.668 -1.837 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.875 3.544 -3.354 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.518 2.830 -3.356 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.139 2.135 -0.378 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.677 3.634 0.387 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.454 5.506 -2.558 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.854 5.528 -0.838 1.00 0.00 H new ATOM 406 N PRO A 25 -11.786 1.381 -8.023 1.00 0.00 N ATOM 407 CA PRO A 25 -12.030 1.639 -9.475 1.00 0.00 C ATOM 408 C PRO A 25 -12.061 0.322 -10.249 1.00 0.00 C ATOM 409 O PRO A 25 -12.751 0.194 -11.243 1.00 0.00 O ATOM 410 CB PRO A 25 -10.858 2.531 -9.886 1.00 0.00 C ATOM 411 CG PRO A 25 -9.807 2.253 -8.868 1.00 0.00 C ATOM 412 CD PRO A 25 -10.546 2.040 -7.575 1.00 0.00 C ATOM 0 HA PRO A 25 -12.989 2.115 -9.682 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.511 2.293 -10.891 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.141 3.584 -9.888 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.224 1.372 -9.136 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.108 3.086 -8.788 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.981 1.415 -6.883 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.748 2.981 -7.063 1.00 0.00 H new ATOM 420 N LYS A 26 -11.347 -0.664 -9.777 1.00 0.00 N ATOM 421 CA LYS A 26 -11.362 -1.992 -10.458 1.00 0.00 C ATOM 422 C LYS A 26 -12.743 -2.617 -10.279 1.00 0.00 C ATOM 423 O LYS A 26 -13.323 -3.162 -11.198 1.00 0.00 O ATOM 424 CB LYS A 26 -10.322 -2.827 -9.718 1.00 0.00 C ATOM 425 CG LYS A 26 -9.993 -4.078 -10.535 1.00 0.00 C ATOM 426 CD LYS A 26 -11.072 -5.138 -10.304 1.00 0.00 C ATOM 427 CE LYS A 26 -10.532 -6.512 -10.703 1.00 0.00 C ATOM 428 NZ LYS A 26 -10.626 -6.546 -12.189 1.00 0.00 N ATOM 0 H LYS A 26 -10.754 -0.608 -8.949 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.148 -1.924 -11.525 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.419 -2.239 -9.554 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.700 -3.111 -8.736 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.935 -3.828 -11.594 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.017 -4.468 -10.245 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.372 -5.144 -9.256 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.961 -4.901 -10.889 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.503 -6.644 -10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.118 -7.313 -10.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.243 -7.331 -12.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.023 -5.648 -12.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.678 -6.683 -12.594 1.00 0.00 H new ATOM 442 N ILE A 27 -13.265 -2.529 -9.085 1.00 0.00 N ATOM 443 CA ILE A 27 -14.612 -3.103 -8.793 1.00 0.00 C ATOM 444 C ILE A 27 -15.672 -2.429 -9.663 1.00 0.00 C ATOM 445 O ILE A 27 -16.688 -3.016 -9.975 1.00 0.00 O ATOM 446 CB ILE A 27 -14.884 -2.766 -7.313 1.00 0.00 C ATOM 447 CG1 ILE A 27 -13.816 -3.396 -6.405 1.00 0.00 C ATOM 448 CG2 ILE A 27 -16.268 -3.285 -6.904 1.00 0.00 C ATOM 449 CD1 ILE A 27 -13.796 -4.914 -6.581 1.00 0.00 C ATOM 0 H ILE A 27 -12.811 -2.079 -8.290 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.645 -4.174 -8.993 1.00 0.00 H new ATOM 0 HB ILE A 27 -14.849 -1.683 -7.198 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.836 -2.983 -6.644 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.021 -3.147 -5.364 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.453 -3.043 -5.857 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.031 -2.815 -7.525 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.306 -4.366 -7.039 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.035 -5.346 -5.931 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.771 -5.324 -6.319 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.568 -5.157 -7.619 1.00 0.00 H new ATOM 461 N LYS A 28 -15.464 -1.188 -10.009 1.00 0.00 N ATOM 462 CA LYS A 28 -16.495 -0.452 -10.806 1.00 0.00 C ATOM 463 C LYS A 28 -16.513 -0.949 -12.256 1.00 0.00 C ATOM 464 O LYS A 28 -17.562 -1.059 -12.864 1.00 0.00 O ATOM 465 CB LYS A 28 -16.131 1.053 -10.755 1.00 0.00 C ATOM 466 CG LYS A 28 -15.565 1.514 -9.387 1.00 0.00 C ATOM 467 CD LYS A 28 -16.279 0.871 -8.181 1.00 0.00 C ATOM 468 CE LYS A 28 -17.790 1.101 -8.278 1.00 0.00 C ATOM 469 NZ LYS A 28 -17.988 2.523 -7.884 1.00 0.00 N ATOM 0 H LYS A 28 -14.629 -0.651 -9.777 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.489 -0.621 -10.391 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.397 1.266 -11.532 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.020 1.640 -10.987 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.503 1.273 -9.342 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.649 2.598 -9.314 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.067 -0.198 -8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.897 1.297 -7.253 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.153 0.917 -9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.335 0.428 -7.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.563 2.567 -7.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.064 2.966 -7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.475 3.031 -8.650 1.00 0.00 H new ATOM 483 N SER A 29 -15.367 -1.243 -12.817 1.00 0.00 N ATOM 484 CA SER A 29 -15.320 -1.727 -14.235 1.00 0.00 C ATOM 485 C SER A 29 -16.186 -2.982 -14.409 1.00 0.00 C ATOM 486 O SER A 29 -16.677 -3.261 -15.486 1.00 0.00 O ATOM 487 CB SER A 29 -13.849 -2.055 -14.500 1.00 0.00 C ATOM 488 OG SER A 29 -13.665 -2.293 -15.889 1.00 0.00 O ATOM 0 H SER A 29 -14.460 -1.169 -12.356 1.00 0.00 H new ATOM 0 HA SER A 29 -15.705 -0.980 -14.929 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.216 -1.230 -14.173 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.551 -2.932 -13.926 1.00 0.00 H new ATOM 0 HG SER A 29 -12.724 -2.502 -16.063 1.00 0.00 H new ATOM 494 N GLU A 30 -16.368 -3.737 -13.358 1.00 0.00 N ATOM 495 CA GLU A 30 -17.196 -4.978 -13.451 1.00 0.00 C ATOM 496 C GLU A 30 -18.461 -4.853 -12.591 1.00 0.00 C ATOM 497 O GLU A 30 -19.459 -5.501 -12.845 1.00 0.00 O ATOM 498 CB GLU A 30 -16.289 -6.092 -12.915 1.00 0.00 C ATOM 499 CG GLU A 30 -15.775 -6.947 -14.076 1.00 0.00 C ATOM 500 CD GLU A 30 -16.888 -7.882 -14.553 1.00 0.00 C ATOM 501 OE1 GLU A 30 -17.771 -7.411 -15.251 1.00 0.00 O ATOM 502 OE2 GLU A 30 -16.837 -9.053 -14.213 1.00 0.00 O ATOM 0 H GLU A 30 -15.978 -3.548 -12.435 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.533 -5.172 -14.469 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.450 -5.659 -12.371 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.840 -6.714 -12.210 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.447 -6.307 -14.895 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.909 -7.528 -13.758 1.00 0.00 H new ATOM 509 N HIS A 31 -18.425 -4.022 -11.581 1.00 0.00 N ATOM 510 CA HIS A 31 -19.625 -3.849 -10.703 1.00 0.00 C ATOM 511 C HIS A 31 -20.079 -2.382 -10.732 1.00 0.00 C ATOM 512 O HIS A 31 -19.556 -1.566 -9.998 1.00 0.00 O ATOM 513 CB HIS A 31 -19.191 -4.243 -9.281 1.00 0.00 C ATOM 514 CG HIS A 31 -18.453 -5.559 -9.291 1.00 0.00 C ATOM 515 ND1 HIS A 31 -17.070 -5.625 -9.333 1.00 0.00 N ATOM 516 CD2 HIS A 31 -18.891 -6.860 -9.265 1.00 0.00 C ATOM 517 CE1 HIS A 31 -16.726 -6.924 -9.330 1.00 0.00 C ATOM 518 NE2 HIS A 31 -17.798 -7.721 -9.290 1.00 0.00 N ATOM 0 H HIS A 31 -17.617 -3.455 -11.325 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.458 -4.466 -11.040 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.552 -3.466 -8.863 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -20.067 -4.317 -8.636 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -16.429 -4.832 -9.361 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -19.926 -7.168 -9.230 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -15.707 -7.281 -9.357 1.00 0.00 H new ATOM 526 N PRO A 32 -21.039 -2.083 -11.580 1.00 0.00 N ATOM 527 CA PRO A 32 -21.542 -0.692 -11.681 1.00 0.00 C ATOM 528 C PRO A 32 -22.428 -0.363 -10.480 1.00 0.00 C ATOM 529 O PRO A 32 -22.355 0.713 -9.919 1.00 0.00 O ATOM 530 CB PRO A 32 -22.348 -0.693 -12.975 1.00 0.00 C ATOM 531 CG PRO A 32 -22.759 -2.115 -13.190 1.00 0.00 C ATOM 532 CD PRO A 32 -21.738 -2.989 -12.507 1.00 0.00 C ATOM 0 HA PRO A 32 -20.748 0.055 -11.686 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.218 -0.041 -12.896 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -21.750 -0.327 -13.810 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -23.753 -2.293 -12.779 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.808 -2.343 -14.255 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.213 -3.813 -11.974 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.048 -3.430 -13.226 1.00 0.00 H new ATOM 540 N GLY A 33 -23.261 -1.288 -10.084 1.00 0.00 N ATOM 541 CA GLY A 33 -24.156 -1.048 -8.917 1.00 0.00 C ATOM 542 C GLY A 33 -23.331 -0.987 -7.624 1.00 0.00 C ATOM 543 O GLY A 33 -23.786 -0.471 -6.624 1.00 0.00 O ATOM 0 H GLY A 33 -23.360 -2.204 -10.522 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -24.702 -0.115 -9.054 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -24.897 -1.844 -8.847 1.00 0.00 H new ATOM 547 N LEU A 34 -22.132 -1.525 -7.635 1.00 0.00 N ATOM 548 CA LEU A 34 -21.269 -1.517 -6.404 1.00 0.00 C ATOM 549 C LEU A 34 -21.054 -0.086 -5.886 1.00 0.00 C ATOM 550 O LEU A 34 -20.066 0.552 -6.197 1.00 0.00 O ATOM 551 CB LEU A 34 -19.926 -2.130 -6.854 1.00 0.00 C ATOM 552 CG LEU A 34 -19.658 -3.458 -6.125 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.422 -3.189 -4.638 1.00 0.00 C ATOM 554 CD2 LEU A 34 -20.849 -4.414 -6.293 1.00 0.00 C ATOM 0 H LEU A 34 -21.710 -1.973 -8.449 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.729 -2.075 -5.588 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.941 -2.298 -7.931 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.116 -1.429 -6.652 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.772 -3.922 -6.558 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.232 -4.131 -4.123 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.561 -2.531 -4.519 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.304 -2.713 -4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.642 -5.348 -5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.745 -3.956 -5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.006 -4.617 -7.352 1.00 0.00 H new ATOM 566 N SER A 35 -21.970 0.415 -5.096 1.00 0.00 N ATOM 567 CA SER A 35 -21.823 1.799 -4.550 1.00 0.00 C ATOM 568 C SER A 35 -20.742 1.813 -3.467 1.00 0.00 C ATOM 569 O SER A 35 -20.202 0.783 -3.111 1.00 0.00 O ATOM 570 CB SER A 35 -23.187 2.144 -3.953 1.00 0.00 C ATOM 571 OG SER A 35 -23.525 1.179 -2.964 1.00 0.00 O ATOM 0 H SER A 35 -22.815 -0.076 -4.805 1.00 0.00 H new ATOM 0 HA SER A 35 -21.527 2.518 -5.313 1.00 0.00 H new ATOM 0 HB2 SER A 35 -23.162 3.140 -3.512 1.00 0.00 H new ATOM 0 HB3 SER A 35 -23.946 2.161 -4.736 1.00 0.00 H new ATOM 0 HG SER A 35 -24.399 1.398 -2.578 1.00 0.00 H new ATOM 577 N ILE A 36 -20.423 2.971 -2.937 1.00 0.00 N ATOM 578 CA ILE A 36 -19.370 3.045 -1.870 1.00 0.00 C ATOM 579 C ILE A 36 -19.740 2.127 -0.699 1.00 0.00 C ATOM 580 O ILE A 36 -18.880 1.565 -0.047 1.00 0.00 O ATOM 581 CB ILE A 36 -19.342 4.514 -1.422 1.00 0.00 C ATOM 582 CG1 ILE A 36 -18.913 5.412 -2.595 1.00 0.00 C ATOM 583 CG2 ILE A 36 -18.353 4.680 -0.258 1.00 0.00 C ATOM 584 CD1 ILE A 36 -17.515 5.016 -3.089 1.00 0.00 C ATOM 0 H ILE A 36 -20.843 3.864 -3.195 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.395 2.720 -2.233 1.00 0.00 H new ATOM 0 HB ILE A 36 -20.340 4.806 -1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -19.632 5.325 -3.410 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -18.912 6.456 -2.281 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -18.335 5.723 0.058 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -18.665 4.053 0.577 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -17.356 4.382 -0.582 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.226 5.661 -3.919 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.797 5.127 -2.276 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -17.527 3.978 -3.423 1.00 0.00 H new ATOM 596 N GLY A 37 -21.013 1.972 -0.433 1.00 0.00 N ATOM 597 CA GLY A 37 -21.446 1.090 0.691 1.00 0.00 C ATOM 598 C GLY A 37 -20.919 -0.326 0.453 1.00 0.00 C ATOM 599 O GLY A 37 -20.090 -0.820 1.191 1.00 0.00 O ATOM 0 H GLY A 37 -21.771 2.420 -0.947 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -21.069 1.476 1.638 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -22.534 1.079 0.762 1.00 0.00 H new ATOM 603 N ASP A 38 -21.385 -0.973 -0.583 1.00 0.00 N ATOM 604 CA ASP A 38 -20.908 -2.356 -0.882 1.00 0.00 C ATOM 605 C ASP A 38 -19.440 -2.329 -1.319 1.00 0.00 C ATOM 606 O ASP A 38 -18.675 -3.204 -0.979 1.00 0.00 O ATOM 607 CB ASP A 38 -21.798 -2.851 -2.025 1.00 0.00 C ATOM 608 CG ASP A 38 -22.983 -3.629 -1.450 1.00 0.00 C ATOM 609 OD1 ASP A 38 -22.849 -4.828 -1.272 1.00 0.00 O ATOM 610 OD2 ASP A 38 -24.004 -3.012 -1.198 1.00 0.00 O ATOM 0 H ASP A 38 -22.076 -0.603 -1.236 1.00 0.00 H new ATOM 0 HA ASP A 38 -20.968 -3.007 -0.010 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -22.155 -2.006 -2.614 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -21.223 -3.488 -2.698 1.00 0.00 H new ATOM 615 N THR A 39 -19.041 -1.319 -2.049 1.00 0.00 N ATOM 616 CA THR A 39 -17.614 -1.233 -2.496 1.00 0.00 C ATOM 617 C THR A 39 -16.691 -1.104 -1.283 1.00 0.00 C ATOM 618 O THR A 39 -15.558 -1.547 -1.307 1.00 0.00 O ATOM 619 CB THR A 39 -17.532 0.019 -3.379 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.381 -0.146 -4.507 1.00 0.00 O ATOM 621 CG2 THR A 39 -16.089 0.221 -3.856 1.00 0.00 C ATOM 0 H THR A 39 -19.638 -0.551 -2.355 1.00 0.00 H new ATOM 0 HA THR A 39 -17.301 -2.124 -3.041 1.00 0.00 H new ATOM 0 HB THR A 39 -17.848 0.889 -2.804 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.168 0.431 -4.412 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.034 1.111 -4.483 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.434 0.344 -2.993 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.771 -0.648 -4.432 1.00 0.00 H new ATOM 629 N ALA A 40 -17.170 -0.507 -0.223 1.00 0.00 N ATOM 630 CA ALA A 40 -16.322 -0.353 0.995 1.00 0.00 C ATOM 631 C ALA A 40 -16.227 -1.689 1.732 1.00 0.00 C ATOM 632 O ALA A 40 -15.165 -2.094 2.166 1.00 0.00 O ATOM 633 CB ALA A 40 -17.043 0.686 1.857 1.00 0.00 C ATOM 0 H ALA A 40 -18.111 -0.120 -0.148 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.305 -0.043 0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.478 0.853 2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.125 1.622 1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -18.040 0.323 2.107 1.00 0.00 H new ATOM 639 N LYS A 41 -17.336 -2.368 1.888 1.00 0.00 N ATOM 640 CA LYS A 41 -17.321 -3.674 2.614 1.00 0.00 C ATOM 641 C LYS A 41 -16.991 -4.848 1.676 1.00 0.00 C ATOM 642 O LYS A 41 -16.716 -5.942 2.137 1.00 0.00 O ATOM 643 CB LYS A 41 -18.723 -3.827 3.224 1.00 0.00 C ATOM 644 CG LYS A 41 -19.781 -3.969 2.124 1.00 0.00 C ATOM 645 CD LYS A 41 -21.175 -3.746 2.722 1.00 0.00 C ATOM 646 CE LYS A 41 -21.333 -2.281 3.149 1.00 0.00 C ATOM 647 NZ LYS A 41 -21.896 -2.339 4.528 1.00 0.00 N ATOM 0 H LYS A 41 -18.250 -2.074 1.544 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.545 -3.686 3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.748 -4.701 3.875 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -18.951 -2.961 3.845 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.595 -3.246 1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.721 -4.960 1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.940 -4.005 1.990 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -21.321 -4.402 3.580 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -20.375 -1.761 3.135 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -21.998 -1.743 2.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -22.032 -1.373 4.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.811 -2.834 4.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -21.238 -2.851 5.150 1.00 0.00 H new ATOM 661 N LYS A 42 -16.998 -4.647 0.376 1.00 0.00 N ATOM 662 CA LYS A 42 -16.664 -5.772 -0.558 1.00 0.00 C ATOM 663 C LYS A 42 -15.145 -5.838 -0.801 1.00 0.00 C ATOM 664 O LYS A 42 -14.675 -6.615 -1.611 1.00 0.00 O ATOM 665 CB LYS A 42 -17.407 -5.441 -1.861 1.00 0.00 C ATOM 666 CG LYS A 42 -17.287 -6.595 -2.868 1.00 0.00 C ATOM 667 CD LYS A 42 -17.840 -7.889 -2.256 1.00 0.00 C ATOM 668 CE LYS A 42 -18.554 -8.704 -3.336 1.00 0.00 C ATOM 669 NZ LYS A 42 -18.329 -10.126 -2.955 1.00 0.00 N ATOM 0 H LYS A 42 -17.219 -3.759 -0.075 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.958 -6.741 -0.155 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.458 -5.248 -1.646 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.998 -4.529 -2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.834 -6.352 -3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.244 -6.734 -3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -17.029 -8.474 -1.822 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.532 -7.654 -1.447 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -19.618 -8.468 -3.371 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -18.148 -8.491 -4.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.790 -10.748 -3.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.308 -10.323 -2.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.732 -10.301 -2.012 1.00 0.00 H new ATOM 683 N LEU A 43 -14.375 -5.045 -0.094 1.00 0.00 N ATOM 684 CA LEU A 43 -12.894 -5.078 -0.274 1.00 0.00 C ATOM 685 C LEU A 43 -12.259 -5.884 0.861 1.00 0.00 C ATOM 686 O LEU A 43 -11.211 -6.480 0.699 1.00 0.00 O ATOM 687 CB LEU A 43 -12.452 -3.616 -0.215 1.00 0.00 C ATOM 688 CG LEU A 43 -12.378 -3.047 -1.632 1.00 0.00 C ATOM 689 CD1 LEU A 43 -12.334 -1.519 -1.569 1.00 0.00 C ATOM 690 CD2 LEU A 43 -11.114 -3.564 -2.322 1.00 0.00 C ATOM 0 H LEU A 43 -14.711 -4.377 0.600 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.594 -5.548 -1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.154 -3.037 0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.479 -3.539 0.270 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.257 -3.361 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.281 -1.115 -2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.233 -1.149 -1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.456 -1.203 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.060 -3.159 -3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.236 -3.249 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.144 -4.653 -2.368 1.00 0.00 H new ATOM 702 N GLY A 44 -12.898 -5.916 2.006 1.00 0.00 N ATOM 703 CA GLY A 44 -12.349 -6.694 3.153 1.00 0.00 C ATOM 704 C GLY A 44 -12.442 -8.188 2.837 1.00 0.00 C ATOM 705 O GLY A 44 -11.650 -8.980 3.311 1.00 0.00 O ATOM 0 H GLY A 44 -13.778 -5.435 2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.312 -6.413 3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.906 -6.467 4.062 1.00 0.00 H new ATOM 709 N GLU A 45 -13.403 -8.579 2.030 1.00 0.00 N ATOM 710 CA GLU A 45 -13.548 -10.026 1.669 1.00 0.00 C ATOM 711 C GLU A 45 -12.252 -10.536 1.031 1.00 0.00 C ATOM 712 O GLU A 45 -11.666 -11.501 1.483 1.00 0.00 O ATOM 713 CB GLU A 45 -14.698 -10.078 0.660 1.00 0.00 C ATOM 714 CG GLU A 45 -15.420 -11.423 0.778 1.00 0.00 C ATOM 715 CD GLU A 45 -16.737 -11.364 0.001 1.00 0.00 C ATOM 716 OE1 GLU A 45 -17.647 -10.699 0.466 1.00 0.00 O ATOM 717 OE2 GLU A 45 -16.812 -11.986 -1.046 1.00 0.00 O ATOM 0 H GLU A 45 -14.092 -7.958 1.607 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.748 -10.651 2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.396 -9.261 0.845 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.314 -9.947 -0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.790 -12.222 0.387 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.613 -11.654 1.826 1.00 0.00 H new ATOM 724 N MET A 46 -11.799 -9.880 -0.008 1.00 0.00 N ATOM 725 CA MET A 46 -10.531 -10.309 -0.671 1.00 0.00 C ATOM 726 C MET A 46 -9.353 -10.043 0.266 1.00 0.00 C ATOM 727 O MET A 46 -8.553 -10.917 0.537 1.00 0.00 O ATOM 728 CB MET A 46 -10.422 -9.448 -1.932 1.00 0.00 C ATOM 729 CG MET A 46 -11.501 -9.868 -2.932 1.00 0.00 C ATOM 730 SD MET A 46 -11.269 -8.965 -4.484 1.00 0.00 S ATOM 731 CE MET A 46 -12.135 -10.135 -5.558 1.00 0.00 C ATOM 0 H MET A 46 -12.252 -9.067 -0.425 1.00 0.00 H new ATOM 0 HA MET A 46 -10.524 -11.372 -0.913 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.538 -8.395 -1.677 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.434 -9.561 -2.378 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.447 -10.942 -3.112 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.490 -9.662 -2.524 1.00 0.00 H new ATOM 0 HE1 MET A 46 -12.115 -9.770 -6.585 1.00 0.00 H new ATOM 0 HE2 MET A 46 -11.644 -11.107 -5.508 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.169 -10.234 -5.229 1.00 0.00 H new ATOM 741 N TRP A 47 -9.241 -8.832 0.763 1.00 0.00 N ATOM 742 CA TRP A 47 -8.112 -8.489 1.691 1.00 0.00 C ATOM 743 C TRP A 47 -8.010 -9.511 2.832 1.00 0.00 C ATOM 744 O TRP A 47 -6.988 -10.143 3.018 1.00 0.00 O ATOM 745 CB TRP A 47 -8.458 -7.106 2.247 1.00 0.00 C ATOM 746 CG TRP A 47 -7.295 -6.577 3.023 1.00 0.00 C ATOM 747 CD1 TRP A 47 -7.318 -6.258 4.337 1.00 0.00 C ATOM 748 CD2 TRP A 47 -5.941 -6.301 2.558 1.00 0.00 C ATOM 749 NE1 TRP A 47 -6.066 -5.803 4.709 1.00 0.00 N ATOM 750 CE2 TRP A 47 -5.183 -5.810 3.647 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.304 -6.428 1.310 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -3.840 -5.457 3.503 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -3.953 -6.073 1.162 1.00 0.00 C ATOM 754 CH2 TRP A 47 -3.224 -5.589 2.256 1.00 0.00 C ATOM 0 H TRP A 47 -9.884 -8.065 0.566 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.151 -8.499 1.176 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.705 -6.426 1.432 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.338 -7.169 2.887 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.174 -6.344 4.989 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.824 -5.499 5.652 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.857 -6.801 0.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.282 -5.085 4.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.474 -6.174 0.199 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.186 -5.318 2.135 1.00 0.00 H new ATOM 765 N SER A 48 -9.063 -9.675 3.594 1.00 0.00 N ATOM 766 CA SER A 48 -9.034 -10.657 4.725 1.00 0.00 C ATOM 767 C SER A 48 -8.740 -12.066 4.201 1.00 0.00 C ATOM 768 O SER A 48 -8.087 -12.855 4.857 1.00 0.00 O ATOM 769 CB SER A 48 -10.431 -10.599 5.345 1.00 0.00 C ATOM 770 OG SER A 48 -10.458 -11.408 6.514 1.00 0.00 O ATOM 0 H SER A 48 -9.943 -9.171 3.483 1.00 0.00 H new ATOM 0 HA SER A 48 -8.256 -10.419 5.451 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.689 -9.570 5.595 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.174 -10.949 4.629 1.00 0.00 H new ATOM 0 HG SER A 48 -11.351 -11.373 6.916 1.00 0.00 H new ATOM 776 N GLU A 49 -9.216 -12.382 3.023 1.00 0.00 N ATOM 777 CA GLU A 49 -8.963 -13.741 2.449 1.00 0.00 C ATOM 778 C GLU A 49 -7.459 -13.958 2.262 1.00 0.00 C ATOM 779 O GLU A 49 -6.940 -15.025 2.529 1.00 0.00 O ATOM 780 CB GLU A 49 -9.678 -13.747 1.094 1.00 0.00 C ATOM 781 CG GLU A 49 -11.014 -14.484 1.219 1.00 0.00 C ATOM 782 CD GLU A 49 -11.701 -14.532 -0.147 1.00 0.00 C ATOM 783 OE1 GLU A 49 -11.962 -13.473 -0.695 1.00 0.00 O ATOM 784 OE2 GLU A 49 -11.955 -15.626 -0.623 1.00 0.00 O ATOM 0 H GLU A 49 -9.768 -11.759 2.434 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.325 -14.537 3.100 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.846 -12.724 0.756 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.053 -14.232 0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.850 -15.495 1.591 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.654 -13.978 1.942 1.00 0.00 H new ATOM 791 N GLN A 50 -6.761 -12.951 1.806 1.00 0.00 N ATOM 792 CA GLN A 50 -5.285 -13.084 1.599 1.00 0.00 C ATOM 793 C GLN A 50 -4.592 -13.420 2.920 1.00 0.00 C ATOM 794 O GLN A 50 -5.090 -13.119 3.989 1.00 0.00 O ATOM 795 CB GLN A 50 -4.823 -11.716 1.088 1.00 0.00 C ATOM 796 CG GLN A 50 -5.391 -11.476 -0.311 1.00 0.00 C ATOM 797 CD GLN A 50 -4.532 -12.209 -1.344 1.00 0.00 C ATOM 798 OE1 GLN A 50 -4.014 -13.274 -1.075 1.00 0.00 O ATOM 799 NE2 GLN A 50 -4.359 -11.679 -2.524 1.00 0.00 N ATOM 0 H GLN A 50 -7.149 -12.039 1.567 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.042 -13.883 0.898 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.156 -10.931 1.767 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.734 -11.674 1.062 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.421 -11.829 -0.362 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.409 -10.408 -0.529 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.794 -10.785 -2.750 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.789 -12.159 -3.220 1.00 0.00 H new ATOM 808 N SER A 51 -3.442 -14.035 2.847 1.00 0.00 N ATOM 809 CA SER A 51 -2.693 -14.391 4.085 1.00 0.00 C ATOM 810 C SER A 51 -1.490 -13.456 4.235 1.00 0.00 C ATOM 811 O SER A 51 -1.513 -12.334 3.762 1.00 0.00 O ATOM 812 CB SER A 51 -2.243 -15.837 3.871 1.00 0.00 C ATOM 813 OG SER A 51 -3.361 -16.623 3.478 1.00 0.00 O ATOM 0 H SER A 51 -2.987 -14.308 1.976 1.00 0.00 H new ATOM 0 HA SER A 51 -3.292 -14.292 4.990 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.467 -15.879 3.107 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.809 -16.235 4.788 1.00 0.00 H new ATOM 0 HG SER A 51 -3.076 -17.550 3.338 1.00 0.00 H new ATOM 819 N ALA A 52 -0.440 -13.903 4.876 1.00 0.00 N ATOM 820 CA ALA A 52 0.763 -13.032 5.039 1.00 0.00 C ATOM 821 C ALA A 52 1.598 -13.047 3.753 1.00 0.00 C ATOM 822 O ALA A 52 2.759 -13.412 3.760 1.00 0.00 O ATOM 823 CB ALA A 52 1.546 -13.649 6.200 1.00 0.00 C ATOM 0 H ALA A 52 -0.364 -14.831 5.292 1.00 0.00 H new ATOM 0 HA ALA A 52 0.501 -11.993 5.236 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.447 -13.064 6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.926 -13.650 7.097 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.823 -14.673 5.949 1.00 0.00 H new ATOM 829 N LYS A 53 1.012 -12.652 2.647 1.00 0.00 N ATOM 830 CA LYS A 53 1.766 -12.642 1.357 1.00 0.00 C ATOM 831 C LYS A 53 1.413 -11.392 0.548 1.00 0.00 C ATOM 832 O LYS A 53 2.280 -10.655 0.119 1.00 0.00 O ATOM 833 CB LYS A 53 1.304 -13.903 0.622 1.00 0.00 C ATOM 834 CG LYS A 53 2.499 -14.560 -0.073 1.00 0.00 C ATOM 835 CD LYS A 53 2.087 -15.932 -0.609 1.00 0.00 C ATOM 836 CE LYS A 53 3.339 -16.760 -0.907 1.00 0.00 C ATOM 837 NZ LYS A 53 3.741 -17.336 0.407 1.00 0.00 N ATOM 0 H LYS A 53 0.044 -12.337 2.584 1.00 0.00 H new ATOM 0 HA LYS A 53 2.845 -12.628 1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.851 -14.601 1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.539 -13.649 -0.111 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.850 -13.929 -0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.328 -14.665 0.627 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.463 -16.447 0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.490 -15.817 -1.514 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.130 -17.544 -1.634 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.132 -16.140 -1.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.778 -17.324 0.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.326 -16.771 1.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.400 -18.316 0.475 1.00 0.00 H new ATOM 851 N ASP A 54 0.144 -11.152 0.335 1.00 0.00 N ATOM 852 CA ASP A 54 -0.278 -9.952 -0.450 1.00 0.00 C ATOM 853 C ASP A 54 0.155 -8.665 0.259 1.00 0.00 C ATOM 854 O ASP A 54 0.334 -7.636 -0.365 1.00 0.00 O ATOM 855 CB ASP A 54 -1.805 -10.031 -0.523 1.00 0.00 C ATOM 856 CG ASP A 54 -2.312 -9.118 -1.640 1.00 0.00 C ATOM 857 OD1 ASP A 54 -2.257 -7.912 -1.464 1.00 0.00 O ATOM 858 OD2 ASP A 54 -2.747 -9.639 -2.654 1.00 0.00 O ATOM 0 H ASP A 54 -0.620 -11.737 0.672 1.00 0.00 H new ATOM 0 HA ASP A 54 0.177 -9.937 -1.440 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.118 -11.058 -0.709 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.241 -9.733 0.431 1.00 0.00 H new ATOM 863 N LYS A 55 0.319 -8.713 1.559 1.00 0.00 N ATOM 864 CA LYS A 55 0.736 -7.490 2.308 1.00 0.00 C ATOM 865 C LYS A 55 2.251 -7.291 2.214 1.00 0.00 C ATOM 866 O LYS A 55 2.728 -6.178 2.181 1.00 0.00 O ATOM 867 CB LYS A 55 0.327 -7.746 3.759 1.00 0.00 C ATOM 868 CG LYS A 55 -1.113 -7.282 3.977 1.00 0.00 C ATOM 869 CD LYS A 55 -1.433 -7.291 5.473 1.00 0.00 C ATOM 870 CE LYS A 55 -0.818 -6.055 6.133 1.00 0.00 C ATOM 871 NZ LYS A 55 -0.631 -6.434 7.561 1.00 0.00 N ATOM 0 H LYS A 55 0.182 -9.546 2.132 1.00 0.00 H new ATOM 0 HA LYS A 55 0.271 -6.591 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.416 -8.807 3.990 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.997 -7.215 4.435 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.248 -6.279 3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.802 -7.937 3.443 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.512 -7.299 5.625 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.040 -8.197 5.935 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.131 -5.790 5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.473 -5.189 6.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.212 -5.636 8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.552 -6.675 7.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.002 -7.257 7.622 1.00 0.00 H new ATOM 885 N GLN A 56 3.007 -8.364 2.185 1.00 0.00 N ATOM 886 CA GLN A 56 4.508 -8.256 2.110 1.00 0.00 C ATOM 887 C GLN A 56 4.961 -7.206 1.072 1.00 0.00 C ATOM 888 O GLN A 56 5.737 -6.331 1.395 1.00 0.00 O ATOM 889 CB GLN A 56 4.984 -9.652 1.700 1.00 0.00 C ATOM 890 CG GLN A 56 5.451 -10.424 2.936 1.00 0.00 C ATOM 891 CD GLN A 56 6.770 -9.837 3.439 1.00 0.00 C ATOM 892 OE1 GLN A 56 6.784 -8.800 4.074 1.00 0.00 O ATOM 893 NE2 GLN A 56 7.887 -10.458 3.181 1.00 0.00 N ATOM 0 H GLN A 56 2.649 -9.319 2.210 1.00 0.00 H new ATOM 0 HA GLN A 56 4.927 -7.931 3.062 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.176 -10.192 1.207 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.799 -9.572 0.981 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.695 -10.369 3.719 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.580 -11.478 2.691 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.876 -11.328 2.648 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.772 -10.074 3.512 1.00 0.00 H new ATOM 902 N PRO A 57 4.467 -7.320 -0.141 1.00 0.00 N ATOM 903 CA PRO A 57 4.847 -6.348 -1.195 1.00 0.00 C ATOM 904 C PRO A 57 4.067 -5.036 -1.035 1.00 0.00 C ATOM 905 O PRO A 57 4.588 -3.962 -1.268 1.00 0.00 O ATOM 906 CB PRO A 57 4.446 -7.046 -2.488 1.00 0.00 C ATOM 907 CG PRO A 57 3.350 -7.984 -2.101 1.00 0.00 C ATOM 908 CD PRO A 57 3.538 -8.341 -0.649 1.00 0.00 C ATOM 0 HA PRO A 57 5.903 -6.082 -1.160 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.105 -6.328 -3.234 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.289 -7.583 -2.924 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.377 -7.519 -2.257 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.378 -8.880 -2.721 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.591 -8.322 -0.109 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.949 -9.344 -0.536 1.00 0.00 H new ATOM 916 N TYR A 58 2.813 -5.123 -0.666 1.00 0.00 N ATOM 917 CA TYR A 58 1.977 -3.887 -0.520 1.00 0.00 C ATOM 918 C TYR A 58 2.181 -3.209 0.848 1.00 0.00 C ATOM 919 O TYR A 58 1.510 -2.242 1.158 1.00 0.00 O ATOM 920 CB TYR A 58 0.527 -4.375 -0.666 1.00 0.00 C ATOM 921 CG TYR A 58 -0.171 -3.595 -1.758 1.00 0.00 C ATOM 922 CD1 TYR A 58 0.340 -3.607 -3.062 1.00 0.00 C ATOM 923 CD2 TYR A 58 -1.326 -2.861 -1.466 1.00 0.00 C ATOM 924 CE1 TYR A 58 -0.306 -2.885 -4.072 1.00 0.00 C ATOM 925 CE2 TYR A 58 -1.972 -2.139 -2.476 1.00 0.00 C ATOM 926 CZ TYR A 58 -1.460 -2.152 -3.780 1.00 0.00 C ATOM 927 OH TYR A 58 -2.096 -1.438 -4.777 1.00 0.00 O ATOM 0 H TYR A 58 2.330 -5.997 -0.459 1.00 0.00 H new ATOM 0 HA TYR A 58 2.248 -3.137 -1.263 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.514 -5.439 -0.902 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.004 -4.251 0.278 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.232 -4.173 -3.288 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.719 -2.852 -0.460 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.087 -2.894 -5.078 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -2.864 -1.573 -2.251 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.882 -0.986 -4.405 1.00 0.00 H new ATOM 937 N GLU A 59 3.090 -3.691 1.662 1.00 0.00 N ATOM 938 CA GLU A 59 3.313 -3.048 2.995 1.00 0.00 C ATOM 939 C GLU A 59 4.533 -2.118 2.942 1.00 0.00 C ATOM 940 O GLU A 59 4.654 -1.199 3.731 1.00 0.00 O ATOM 941 CB GLU A 59 3.539 -4.205 3.981 1.00 0.00 C ATOM 942 CG GLU A 59 4.804 -4.994 3.599 1.00 0.00 C ATOM 943 CD GLU A 59 5.847 -4.879 4.716 1.00 0.00 C ATOM 944 OE1 GLU A 59 5.586 -5.382 5.797 1.00 0.00 O ATOM 945 OE2 GLU A 59 6.887 -4.292 4.469 1.00 0.00 O ATOM 0 H GLU A 59 3.683 -4.496 1.463 1.00 0.00 H new ATOM 0 HA GLU A 59 2.466 -2.432 3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.638 -3.814 4.994 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.674 -4.868 3.978 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.553 -6.041 3.430 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.215 -4.610 2.665 1.00 0.00 H new ATOM 952 N GLN A 60 5.431 -2.346 2.013 1.00 0.00 N ATOM 953 CA GLN A 60 6.638 -1.472 1.903 1.00 0.00 C ATOM 954 C GLN A 60 6.271 -0.143 1.226 1.00 0.00 C ATOM 955 O GLN A 60 6.909 0.870 1.441 1.00 0.00 O ATOM 956 CB GLN A 60 7.639 -2.270 1.052 1.00 0.00 C ATOM 957 CG GLN A 60 7.081 -2.502 -0.359 1.00 0.00 C ATOM 958 CD GLN A 60 7.508 -3.884 -0.857 1.00 0.00 C ATOM 959 OE1 GLN A 60 7.398 -4.860 -0.142 1.00 0.00 O ATOM 960 NE2 GLN A 60 7.994 -4.008 -2.061 1.00 0.00 N ATOM 0 H GLN A 60 5.379 -3.100 1.328 1.00 0.00 H new ATOM 0 HA GLN A 60 7.056 -1.219 2.877 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.584 -1.731 0.991 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.848 -3.228 1.529 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.994 -2.428 -0.348 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.446 -1.731 -1.037 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.086 -3.188 -2.661 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.282 -4.925 -2.403 1.00 0.00 H new ATOM 969 N LYS A 61 5.242 -0.146 0.413 1.00 0.00 N ATOM 970 CA LYS A 61 4.822 1.114 -0.281 1.00 0.00 C ATOM 971 C LYS A 61 4.467 2.189 0.749 1.00 0.00 C ATOM 972 O LYS A 61 4.830 3.341 0.602 1.00 0.00 O ATOM 973 CB LYS A 61 3.590 0.723 -1.105 1.00 0.00 C ATOM 974 CG LYS A 61 3.074 1.941 -1.876 1.00 0.00 C ATOM 975 CD LYS A 61 2.187 1.473 -3.033 1.00 0.00 C ATOM 976 CE LYS A 61 1.861 2.662 -3.940 1.00 0.00 C ATOM 977 NZ LYS A 61 0.925 2.119 -4.962 1.00 0.00 N ATOM 0 H LYS A 61 4.674 -0.966 0.200 1.00 0.00 H new ATOM 0 HA LYS A 61 5.613 1.526 -0.908 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.845 -0.077 -1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.809 0.339 -0.449 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.508 2.593 -1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.911 2.525 -2.258 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.695 0.696 -3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.267 1.035 -2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.403 3.475 -3.377 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.762 3.064 -4.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.655 2.876 -5.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.391 1.352 -5.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.074 1.750 -4.492 1.00 0.00 H new ATOM 991 N ALA A 62 3.769 1.818 1.793 1.00 0.00 N ATOM 992 CA ALA A 62 3.399 2.818 2.842 1.00 0.00 C ATOM 993 C ALA A 62 4.641 3.265 3.625 1.00 0.00 C ATOM 994 O ALA A 62 4.592 4.224 4.373 1.00 0.00 O ATOM 995 CB ALA A 62 2.419 2.091 3.762 1.00 0.00 C ATOM 0 H ALA A 62 3.440 0.868 1.964 1.00 0.00 H new ATOM 0 HA ALA A 62 2.961 3.717 2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.102 2.763 4.559 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.549 1.773 3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.907 1.218 4.196 1.00 0.00 H new ATOM 1001 N ALA A 63 5.757 2.592 3.453 1.00 0.00 N ATOM 1002 CA ALA A 63 6.997 2.996 4.179 1.00 0.00 C ATOM 1003 C ALA A 63 7.746 4.091 3.400 1.00 0.00 C ATOM 1004 O ALA A 63 8.821 4.507 3.789 1.00 0.00 O ATOM 1005 CB ALA A 63 7.841 1.723 4.256 1.00 0.00 C ATOM 0 H ALA A 63 5.858 1.782 2.841 1.00 0.00 H new ATOM 0 HA ALA A 63 6.779 3.406 5.165 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.774 1.936 4.778 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.290 0.953 4.797 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.061 1.371 3.248 1.00 0.00 H new ATOM 1011 N LYS A 64 7.180 4.575 2.316 1.00 0.00 N ATOM 1012 CA LYS A 64 7.846 5.655 1.532 1.00 0.00 C ATOM 1013 C LYS A 64 7.124 6.975 1.778 1.00 0.00 C ATOM 1014 O LYS A 64 7.730 8.029 1.832 1.00 0.00 O ATOM 1015 CB LYS A 64 7.708 5.228 0.072 1.00 0.00 C ATOM 1016 CG LYS A 64 8.717 4.119 -0.238 1.00 0.00 C ATOM 1017 CD LYS A 64 10.137 4.680 -0.154 1.00 0.00 C ATOM 1018 CE LYS A 64 11.115 3.689 -0.791 1.00 0.00 C ATOM 1019 NZ LYS A 64 12.268 4.521 -1.235 1.00 0.00 N ATOM 0 H LYS A 64 6.283 4.264 1.944 1.00 0.00 H new ATOM 0 HA LYS A 64 8.890 5.797 1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.695 4.875 -0.120 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.878 6.082 -0.584 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.598 3.297 0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.533 3.714 -1.233 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.191 5.641 -0.666 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.409 4.858 0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.429 2.928 -0.076 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.657 3.167 -1.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.983 3.913 -1.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.940 5.232 -1.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.687 5.000 -0.413 1.00 0.00 H new ATOM 1033 N LEU A 65 5.831 6.915 1.946 1.00 0.00 N ATOM 1034 CA LEU A 65 5.043 8.153 2.215 1.00 0.00 C ATOM 1035 C LEU A 65 5.112 8.517 3.705 1.00 0.00 C ATOM 1036 O LEU A 65 4.580 9.527 4.121 1.00 0.00 O ATOM 1037 CB LEU A 65 3.609 7.803 1.813 1.00 0.00 C ATOM 1038 CG LEU A 65 3.400 8.126 0.333 1.00 0.00 C ATOM 1039 CD1 LEU A 65 4.124 7.086 -0.523 1.00 0.00 C ATOM 1040 CD2 LEU A 65 1.904 8.097 0.012 1.00 0.00 C ATOM 0 H LEU A 65 5.283 6.056 1.908 1.00 0.00 H new ATOM 0 HA LEU A 65 5.424 9.012 1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.417 6.746 1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.902 8.366 2.422 1.00 0.00 H new ATOM 0 HG LEU A 65 3.800 9.117 0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.975 7.316 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.190 7.105 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.724 6.095 -0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.754 8.327 -1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.505 7.106 0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.387 8.837 0.622 1.00 0.00 H new ATOM 1052 N LYS A 66 5.774 7.713 4.509 1.00 0.00 N ATOM 1053 CA LYS A 66 5.887 8.030 5.960 1.00 0.00 C ATOM 1054 C LYS A 66 7.037 9.012 6.169 1.00 0.00 C ATOM 1055 O LYS A 66 6.981 9.873 7.028 1.00 0.00 O ATOM 1056 CB LYS A 66 6.182 6.694 6.642 1.00 0.00 C ATOM 1057 CG LYS A 66 6.299 6.903 8.154 1.00 0.00 C ATOM 1058 CD LYS A 66 4.927 6.716 8.804 1.00 0.00 C ATOM 1059 CE LYS A 66 5.088 6.617 10.322 1.00 0.00 C ATOM 1060 NZ LYS A 66 3.768 6.140 10.818 1.00 0.00 N ATOM 0 H LYS A 66 6.238 6.853 4.217 1.00 0.00 H new ATOM 0 HA LYS A 66 4.985 8.489 6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.388 5.980 6.424 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.107 6.271 6.251 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.012 6.195 8.575 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.680 7.902 8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.276 7.553 8.551 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.451 5.814 8.419 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.885 5.923 10.590 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.347 7.583 10.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.799 6.047 11.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.030 6.824 10.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.551 5.216 10.394 1.00 0.00 H new ATOM 1074 N GLU A 67 8.073 8.896 5.377 1.00 0.00 N ATOM 1075 CA GLU A 67 9.225 9.834 5.514 1.00 0.00 C ATOM 1076 C GLU A 67 8.782 11.237 5.099 1.00 0.00 C ATOM 1077 O GLU A 67 8.809 12.165 5.884 1.00 0.00 O ATOM 1078 CB GLU A 67 10.298 9.301 4.561 1.00 0.00 C ATOM 1079 CG GLU A 67 11.183 8.296 5.301 1.00 0.00 C ATOM 1080 CD GLU A 67 12.267 7.776 4.354 1.00 0.00 C ATOM 1081 OE1 GLU A 67 13.160 8.542 4.030 1.00 0.00 O ATOM 1082 OE2 GLU A 67 12.185 6.622 3.969 1.00 0.00 O ATOM 0 H GLU A 67 8.170 8.194 4.644 1.00 0.00 H new ATOM 0 HA GLU A 67 9.599 9.895 6.536 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.830 8.825 3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.903 10.124 4.181 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.641 8.769 6.170 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.580 7.467 5.670 1.00 0.00 H new ATOM 1089 N LYS A 68 8.380 11.392 3.864 1.00 0.00 N ATOM 1090 CA LYS A 68 7.932 12.734 3.373 1.00 0.00 C ATOM 1091 C LYS A 68 6.752 13.259 4.202 1.00 0.00 C ATOM 1092 O LYS A 68 6.471 14.442 4.196 1.00 0.00 O ATOM 1093 CB LYS A 68 7.502 12.510 1.922 1.00 0.00 C ATOM 1094 CG LYS A 68 8.742 12.325 1.045 1.00 0.00 C ATOM 1095 CD LYS A 68 8.332 12.349 -0.429 1.00 0.00 C ATOM 1096 CE LYS A 68 9.585 12.328 -1.308 1.00 0.00 C ATOM 1097 NZ LYS A 68 9.144 12.882 -2.618 1.00 0.00 N ATOM 0 H LYS A 68 8.342 10.645 3.170 1.00 0.00 H new ATOM 0 HA LYS A 68 8.727 13.475 3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.860 11.631 1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.918 13.360 1.569 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.464 13.117 1.246 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.231 11.380 1.282 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.701 11.490 -0.656 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.742 13.241 -0.639 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.383 12.930 -0.873 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.973 11.316 -1.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.949 12.900 -3.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.389 12.285 -3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.786 13.849 -2.483 1.00 0.00 H new ATOM 1111 N TYR A 69 6.066 12.400 4.920 1.00 0.00 N ATOM 1112 CA TYR A 69 4.916 12.875 5.751 1.00 0.00 C ATOM 1113 C TYR A 69 5.446 13.520 7.037 1.00 0.00 C ATOM 1114 O TYR A 69 5.208 14.681 7.299 1.00 0.00 O ATOM 1115 CB TYR A 69 4.087 11.613 6.057 1.00 0.00 C ATOM 1116 CG TYR A 69 2.992 11.907 7.074 1.00 0.00 C ATOM 1117 CD1 TYR A 69 2.240 13.090 6.992 1.00 0.00 C ATOM 1118 CD2 TYR A 69 2.733 10.990 8.101 1.00 0.00 C ATOM 1119 CE1 TYR A 69 1.238 13.351 7.933 1.00 0.00 C ATOM 1120 CE2 TYR A 69 1.730 11.252 9.041 1.00 0.00 C ATOM 1121 CZ TYR A 69 0.982 12.432 8.958 1.00 0.00 C ATOM 1122 OH TYR A 69 -0.006 12.690 9.886 1.00 0.00 O ATOM 0 H TYR A 69 6.252 11.398 4.966 1.00 0.00 H new ATOM 0 HA TYR A 69 4.311 13.627 5.245 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.641 11.236 5.137 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.741 10.829 6.439 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.435 13.799 6.201 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.309 10.079 8.167 1.00 0.00 H new ATOM 0 HE1 TYR A 69 0.662 14.262 7.869 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.533 10.543 9.831 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.054 11.950 10.527 1.00 0.00 H new ATOM 1132 N GLU A 70 6.157 12.769 7.837 1.00 0.00 N ATOM 1133 CA GLU A 70 6.703 13.329 9.114 1.00 0.00 C ATOM 1134 C GLU A 70 7.932 14.220 8.861 1.00 0.00 C ATOM 1135 O GLU A 70 8.499 14.767 9.789 1.00 0.00 O ATOM 1136 CB GLU A 70 7.099 12.106 9.943 1.00 0.00 C ATOM 1137 CG GLU A 70 5.910 11.660 10.796 1.00 0.00 C ATOM 1138 CD GLU A 70 6.379 10.627 11.822 1.00 0.00 C ATOM 1139 OE1 GLU A 70 7.344 10.904 12.515 1.00 0.00 O ATOM 1140 OE2 GLU A 70 5.766 9.575 11.897 1.00 0.00 O ATOM 0 H GLU A 70 6.385 11.790 7.663 1.00 0.00 H new ATOM 0 HA GLU A 70 5.969 13.959 9.617 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.413 11.295 9.286 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.949 12.346 10.582 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.470 12.519 11.303 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.134 11.232 10.162 1.00 0.00 H new ATOM 1147 N LYS A 71 8.358 14.367 7.626 1.00 0.00 N ATOM 1148 CA LYS A 71 9.557 15.214 7.343 1.00 0.00 C ATOM 1149 C LYS A 71 9.175 16.470 6.550 1.00 0.00 C ATOM 1150 O LYS A 71 9.730 17.533 6.761 1.00 0.00 O ATOM 1151 CB LYS A 71 10.481 14.323 6.513 1.00 0.00 C ATOM 1152 CG LYS A 71 11.853 14.987 6.384 1.00 0.00 C ATOM 1153 CD LYS A 71 12.482 14.605 5.042 1.00 0.00 C ATOM 1154 CE LYS A 71 13.041 13.183 5.126 1.00 0.00 C ATOM 1155 NZ LYS A 71 13.792 12.991 3.854 1.00 0.00 N ATOM 0 H LYS A 71 7.927 13.938 6.807 1.00 0.00 H new ATOM 0 HA LYS A 71 10.028 15.563 8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.582 13.346 6.985 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.052 14.157 5.525 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.753 16.070 6.455 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.499 14.672 7.203 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.737 14.668 4.248 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.278 15.306 4.789 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.693 13.065 5.991 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.241 12.449 5.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.206 12.037 3.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.144 13.102 3.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.551 13.699 3.789 1.00 0.00 H new ATOM 1169 N ASP A 72 8.250 16.354 5.632 1.00 0.00 N ATOM 1170 CA ASP A 72 7.851 17.541 4.812 1.00 0.00 C ATOM 1171 C ASP A 72 6.755 18.356 5.509 1.00 0.00 C ATOM 1172 O ASP A 72 6.676 19.560 5.343 1.00 0.00 O ATOM 1173 CB ASP A 72 7.325 16.952 3.502 1.00 0.00 C ATOM 1174 CG ASP A 72 7.413 18.006 2.398 1.00 0.00 C ATOM 1175 OD1 ASP A 72 8.519 18.317 1.989 1.00 0.00 O ATOM 1176 OD2 ASP A 72 6.372 18.484 1.977 1.00 0.00 O ATOM 0 H ASP A 72 7.753 15.490 5.414 1.00 0.00 H new ATOM 0 HA ASP A 72 8.687 18.223 4.658 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.907 16.072 3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.293 16.625 3.626 1.00 0.00 H new ATOM 1181 N ILE A 73 5.906 17.715 6.271 1.00 0.00 N ATOM 1182 CA ILE A 73 4.808 18.464 6.963 1.00 0.00 C ATOM 1183 C ILE A 73 5.377 19.447 8.005 1.00 0.00 C ATOM 1184 O ILE A 73 4.696 20.357 8.440 1.00 0.00 O ATOM 1185 CB ILE A 73 3.926 17.380 7.616 1.00 0.00 C ATOM 1186 CG1 ILE A 73 2.575 17.993 7.991 1.00 0.00 C ATOM 1187 CG2 ILE A 73 4.592 16.807 8.875 1.00 0.00 C ATOM 1188 CD1 ILE A 73 1.621 17.885 6.799 1.00 0.00 C ATOM 0 H ILE A 73 5.923 16.710 6.445 1.00 0.00 H new ATOM 0 HA ILE A 73 4.232 19.078 6.270 1.00 0.00 H new ATOM 0 HB ILE A 73 3.789 16.568 6.902 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.156 17.477 8.855 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.703 19.037 8.275 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.947 16.045 9.313 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.550 16.361 8.609 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.752 17.607 9.598 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.658 18.321 7.063 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.040 18.421 5.948 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.485 16.836 6.536 1.00 0.00 H new