USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 584 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 310 SER OG : rot -169:sc=-0.000386 USER MOD Set 1.2: A 347 LYS NZ :NH3+ 148:sc= 0.779 (180deg=-1.14) USER MOD Set 2.1: A 299 LYS NZ :NH3+ 175:sc= 1.17 (180deg=0.229) USER MOD Set 2.2: A 351 ASN : amide:sc= 0.179 K(o=1.3,f=-8.9!) USER MOD Set 3.1: A 290 CYS SG : rot 46:sc= 0.997 USER MOD Set 3.2: A 362 ASN : amide:sc= 1.87 K(o=4.2,f=1.6) USER MOD Set 3.3: A 363 SER OG : rot 73:sc= 1.3 USER MOD Single : A 289 HIS : no HE2:sc= -5.14 K(o=-5.1,f=-11!) USER MOD Single : A 292 HIS : no HE2:sc= -2.8! C(o=-2.8!,f=-8.5!) USER MOD Single : A 293 MET CE :methyl 161:sc= -2.1 (180deg=-3.27!) USER MOD Single : A 298 TYR OH : rot 180:sc= 0 USER MOD Single : A 301 THR OG1 : rot 180:sc= 0 USER MOD Single : A 303 ASN : amide:sc= 1.15 K(o=1.1,f=-0.041) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= 0.834 K(o=0.83,f=-0.0067) USER MOD Single : A 313 ASN : amide:sc= 0.0302 X(o=0.03,f=0) USER MOD Single : A 318 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.56) USER MOD Single : A 328 THR OG1 : rot -45:sc= 0.349 USER MOD Single : A 337 THR OG1 : rot -69:sc= 1.11 USER MOD Single : A 338 HIS : no HD1:sc=-0.000925 X(o=-0.00092,f=-0.07) USER MOD Single : A 345 MET CE :methyl 152:sc= -3.21 (180deg=-5.82!) USER MOD Single : A 346 SER OG : rot -40:sc= 0.372 USER MOD Single : A 352 MET CE :methyl 168:sc=-0.00516 (180deg=-0.166) USER MOD Single : A 353 GLN : amide:sc= -0.008 K(o=-0.008,f=-0.71) USER MOD Single : A 354 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 356 TYR OH : rot 32:sc= 0.857 USER MOD Single : A 364 THR OG1 : rot 180:sc= 0 USER MOD Single : A 365 THR OG1 : rot 54:sc= 0.0916 USER MOD ----------------------------------------------------------------- ATOM 22 N HIS A 289 0.402 12.710 5.108 1.00 0.00 N ATOM 23 CA HIS A 289 1.111 11.751 4.283 1.00 0.00 C ATOM 24 C HIS A 289 0.148 10.860 3.496 1.00 0.00 C ATOM 25 O HIS A 289 -0.843 10.378 4.058 1.00 0.00 O ATOM 26 CB HIS A 289 2.011 10.836 5.122 1.00 0.00 C ATOM 27 CG HIS A 289 3.246 10.527 4.327 1.00 0.00 C ATOM 28 ND1 HIS A 289 4.294 11.383 4.097 1.00 0.00 N ATOM 29 CD2 HIS A 289 3.448 9.438 3.536 1.00 0.00 C ATOM 30 CE1 HIS A 289 5.137 10.803 3.229 1.00 0.00 C ATOM 31 NE2 HIS A 289 4.651 9.617 2.847 1.00 0.00 N ATOM 0 HA HIS A 289 1.717 12.342 3.596 1.00 0.00 H new ATOM 0 HB2 HIS A 289 2.276 11.322 6.061 1.00 0.00 H new ATOM 0 HB3 HIS A 289 1.484 9.916 5.377 1.00 0.00 H new ATOM 0 HD1 HIS A 289 4.412 12.306 4.516 1.00 0.00 H new ATOM 0 HD2 HIS A 289 2.792 8.584 3.455 1.00 0.00 H new ATOM 0 HE1 HIS A 289 6.069 11.230 2.889 1.00 0.00 H new ATOM 39 N CYS A 290 0.536 10.490 2.277 1.00 0.00 N ATOM 40 CA CYS A 290 0.086 9.259 1.641 1.00 0.00 C ATOM 41 C CYS A 290 1.190 8.527 0.859 1.00 0.00 C ATOM 42 O CYS A 290 2.246 9.099 0.579 1.00 0.00 O ATOM 43 CB CYS A 290 -1.153 9.520 0.771 1.00 0.00 C ATOM 44 SG CYS A 290 -0.972 10.919 -0.373 1.00 0.00 S ATOM 0 H CYS A 290 1.174 11.040 1.702 1.00 0.00 H new ATOM 0 HA CYS A 290 -0.192 8.579 2.446 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -1.377 8.621 0.197 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -2.008 9.704 1.421 1.00 0.00 H new ATOM 0 HG CYS A 290 0.175 10.838 -0.979 1.00 0.00 H new ATOM 50 N VAL A 291 0.960 7.248 0.528 1.00 0.00 N ATOM 51 CA VAL A 291 1.960 6.386 -0.131 1.00 0.00 C ATOM 52 C VAL A 291 1.327 5.585 -1.240 1.00 0.00 C ATOM 53 O VAL A 291 0.255 5.018 -1.026 1.00 0.00 O ATOM 54 CB VAL A 291 2.576 5.389 0.855 1.00 0.00 C ATOM 55 CG1 VAL A 291 3.806 4.687 0.287 1.00 0.00 C ATOM 56 CG2 VAL A 291 3.033 6.098 2.111 1.00 0.00 C ATOM 0 H VAL A 291 0.073 6.778 0.709 1.00 0.00 H new ATOM 0 HA VAL A 291 2.731 7.049 -0.524 1.00 0.00 H new ATOM 0 HB VAL A 291 1.794 4.658 1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 291 4.202 3.992 1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 291 3.529 4.139 -0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 291 4.567 5.428 0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 291 3.468 5.374 2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 291 3.781 6.848 1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 291 2.180 6.583 2.586 1.00 0.00 H new ATOM 66 N HIS A 292 1.977 5.508 -2.404 1.00 0.00 N ATOM 67 CA HIS A 292 1.302 4.999 -3.581 1.00 0.00 C ATOM 68 C HIS A 292 1.635 3.510 -3.707 1.00 0.00 C ATOM 69 O HIS A 292 2.664 3.030 -3.215 1.00 0.00 O ATOM 70 CB HIS A 292 1.694 5.899 -4.766 1.00 0.00 C ATOM 71 CG HIS A 292 0.941 5.722 -6.059 1.00 0.00 C ATOM 72 ND1 HIS A 292 -0.106 4.874 -6.315 1.00 0.00 N ATOM 73 CD2 HIS A 292 1.245 6.340 -7.241 1.00 0.00 C ATOM 74 CE1 HIS A 292 -0.348 4.887 -7.627 1.00 0.00 C ATOM 75 NE2 HIS A 292 0.447 5.777 -8.249 1.00 0.00 N ATOM 0 H HIS A 292 2.948 5.787 -2.547 1.00 0.00 H new ATOM 0 HA HIS A 292 0.214 5.041 -3.534 1.00 0.00 H new ATOM 0 HB2 HIS A 292 1.581 6.936 -4.451 1.00 0.00 H new ATOM 0 HB3 HIS A 292 2.753 5.742 -4.970 1.00 0.00 H new ATOM 0 HD1 HIS A 292 -0.614 4.326 -5.620 1.00 0.00 H new ATOM 0 HD2 HIS A 292 1.974 7.126 -7.375 1.00 0.00 H new ATOM 0 HE1 HIS A 292 -1.082 4.268 -8.122 1.00 0.00 H new ATOM 83 N MET A 293 0.718 2.771 -4.327 1.00 0.00 N ATOM 84 CA MET A 293 0.797 1.339 -4.556 1.00 0.00 C ATOM 85 C MET A 293 0.362 1.016 -5.968 1.00 0.00 C ATOM 86 O MET A 293 -0.732 1.403 -6.385 1.00 0.00 O ATOM 87 CB MET A 293 -0.052 0.529 -3.572 1.00 0.00 C ATOM 88 CG MET A 293 -0.222 1.212 -2.224 1.00 0.00 C ATOM 89 SD MET A 293 -0.977 0.118 -1.017 1.00 0.00 S ATOM 90 CE MET A 293 0.487 -0.804 -0.510 1.00 0.00 C ATOM 0 H MET A 293 -0.140 3.179 -4.699 1.00 0.00 H new ATOM 0 HA MET A 293 1.838 1.056 -4.401 1.00 0.00 H new ATOM 0 HB2 MET A 293 -1.035 0.353 -4.009 1.00 0.00 H new ATOM 0 HB3 MET A 293 0.409 -0.447 -3.422 1.00 0.00 H new ATOM 0 HG2 MET A 293 0.750 1.542 -1.858 1.00 0.00 H new ATOM 0 HG3 MET A 293 -0.838 2.104 -2.343 1.00 0.00 H new ATOM 0 HE1 MET A 293 0.300 -1.285 0.450 1.00 0.00 H new ATOM 0 HE2 MET A 293 0.716 -1.564 -1.258 1.00 0.00 H new ATOM 0 HE3 MET A 293 1.332 -0.122 -0.416 1.00 0.00 H new ATOM 100 N ARG A 294 1.212 0.294 -6.692 1.00 0.00 N ATOM 101 CA ARG A 294 0.895 -0.187 -8.042 1.00 0.00 C ATOM 102 C ARG A 294 1.418 -1.600 -8.263 1.00 0.00 C ATOM 103 O ARG A 294 2.573 -1.898 -7.962 1.00 0.00 O ATOM 104 CB ARG A 294 1.422 0.787 -9.098 1.00 0.00 C ATOM 105 CG ARG A 294 0.754 2.163 -9.044 1.00 0.00 C ATOM 106 CD ARG A 294 1.112 3.001 -10.282 1.00 0.00 C ATOM 107 NE ARG A 294 2.570 3.201 -10.425 1.00 0.00 N ATOM 108 CZ ARG A 294 3.235 4.338 -10.502 1.00 0.00 C ATOM 109 NH1 ARG A 294 2.658 5.501 -10.368 1.00 0.00 N ATOM 110 NH2 ARG A 294 4.520 4.321 -10.689 1.00 0.00 N ATOM 0 H ARG A 294 2.139 0.024 -6.364 1.00 0.00 H new ATOM 0 HA ARG A 294 -0.189 -0.231 -8.143 1.00 0.00 H new ATOM 0 HB2 ARG A 294 2.497 0.908 -8.965 1.00 0.00 H new ATOM 0 HB3 ARG A 294 1.269 0.356 -10.087 1.00 0.00 H new ATOM 0 HG2 ARG A 294 -0.328 2.043 -8.982 1.00 0.00 H new ATOM 0 HG3 ARG A 294 1.068 2.688 -8.142 1.00 0.00 H new ATOM 0 HD2 ARG A 294 0.726 2.509 -11.175 1.00 0.00 H new ATOM 0 HD3 ARG A 294 0.620 3.971 -10.215 1.00 0.00 H new ATOM 0 HE ARG A 294 3.133 2.352 -10.470 1.00 0.00 H new ATOM 0 HH11 ARG A 294 1.654 5.555 -10.196 1.00 0.00 H new ATOM 0 HH12 ARG A 294 3.211 6.355 -10.435 1.00 0.00 H new ATOM 0 HH21 ARG A 294 5.011 3.431 -10.776 1.00 0.00 H new ATOM 0 HH22 ARG A 294 5.038 5.197 -10.749 1.00 0.00 H new ATOM 124 N GLY A 295 0.543 -2.470 -8.755 1.00 0.00 N ATOM 125 CA GLY A 295 0.826 -3.875 -9.054 1.00 0.00 C ATOM 126 C GLY A 295 0.104 -4.851 -8.122 1.00 0.00 C ATOM 127 O GLY A 295 0.440 -6.037 -8.129 1.00 0.00 O ATOM 0 H GLY A 295 -0.420 -2.209 -8.966 1.00 0.00 H new ATOM 0 HA2 GLY A 295 0.536 -4.085 -10.084 1.00 0.00 H new ATOM 0 HA3 GLY A 295 1.900 -4.045 -8.984 1.00 0.00 H new ATOM 131 N LEU A 296 -0.832 -4.369 -7.285 1.00 0.00 N ATOM 132 CA LEU A 296 -1.532 -5.185 -6.286 1.00 0.00 C ATOM 133 C LEU A 296 -2.184 -6.426 -6.919 1.00 0.00 C ATOM 134 O LEU A 296 -2.661 -6.364 -8.055 1.00 0.00 O ATOM 135 CB LEU A 296 -2.601 -4.369 -5.545 1.00 0.00 C ATOM 136 CG LEU A 296 -2.162 -3.102 -4.794 1.00 0.00 C ATOM 137 CD1 LEU A 296 -3.383 -2.503 -4.094 1.00 0.00 C ATOM 138 CD2 LEU A 296 -1.131 -3.426 -3.716 1.00 0.00 C ATOM 0 H LEU A 296 -1.124 -3.392 -7.286 1.00 0.00 H new ATOM 0 HA LEU A 296 -0.778 -5.514 -5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 296 -3.360 -4.078 -6.272 1.00 0.00 H new ATOM 0 HB3 LEU A 296 -3.085 -5.030 -4.826 1.00 0.00 H new ATOM 0 HG LEU A 296 -1.725 -2.412 -5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 296 -3.088 -1.602 -3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 296 -4.141 -2.251 -4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 296 -3.791 -3.229 -3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 296 -0.841 -2.509 -3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 296 -1.563 -4.123 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 296 -0.252 -3.878 -4.177 1.00 0.00 H new ATOM 150 N PRO A 297 -2.243 -7.553 -6.192 1.00 0.00 N ATOM 151 CA PRO A 297 -2.908 -8.752 -6.691 1.00 0.00 C ATOM 152 C PRO A 297 -4.436 -8.597 -6.587 1.00 0.00 C ATOM 153 O PRO A 297 -4.940 -7.817 -5.780 1.00 0.00 O ATOM 154 CB PRO A 297 -2.364 -9.865 -5.795 1.00 0.00 C ATOM 155 CG PRO A 297 -2.231 -9.156 -4.445 1.00 0.00 C ATOM 156 CD PRO A 297 -1.781 -7.745 -4.819 1.00 0.00 C ATOM 0 HA PRO A 297 -2.717 -8.958 -7.744 1.00 0.00 H new ATOM 0 HB2 PRO A 297 -3.044 -10.715 -5.743 1.00 0.00 H new ATOM 0 HB3 PRO A 297 -1.406 -10.244 -6.152 1.00 0.00 H new ATOM 0 HG2 PRO A 297 -3.177 -9.144 -3.904 1.00 0.00 H new ATOM 0 HG3 PRO A 297 -1.503 -9.651 -3.803 1.00 0.00 H new ATOM 0 HD2 PRO A 297 -2.214 -7.002 -4.149 1.00 0.00 H new ATOM 0 HD3 PRO A 297 -0.698 -7.644 -4.749 1.00 0.00 H new ATOM 164 N TYR A 298 -5.199 -9.393 -7.337 1.00 0.00 N ATOM 165 CA TYR A 298 -6.676 -9.382 -7.328 1.00 0.00 C ATOM 166 C TYR A 298 -7.337 -9.627 -5.951 1.00 0.00 C ATOM 167 O TYR A 298 -8.501 -9.278 -5.756 1.00 0.00 O ATOM 168 CB TYR A 298 -7.194 -10.367 -8.392 1.00 0.00 C ATOM 169 CG TYR A 298 -6.374 -11.629 -8.569 1.00 0.00 C ATOM 170 CD1 TYR A 298 -6.351 -12.617 -7.567 1.00 0.00 C ATOM 171 CD2 TYR A 298 -5.588 -11.774 -9.730 1.00 0.00 C ATOM 172 CE1 TYR A 298 -5.521 -13.745 -7.715 1.00 0.00 C ATOM 173 CE2 TYR A 298 -4.758 -12.902 -9.880 1.00 0.00 C ATOM 174 CZ TYR A 298 -4.719 -13.889 -8.869 1.00 0.00 C ATOM 175 OH TYR A 298 -3.913 -14.980 -8.999 1.00 0.00 O ATOM 0 H TYR A 298 -4.808 -10.079 -7.982 1.00 0.00 H new ATOM 0 HA TYR A 298 -6.975 -8.363 -7.572 1.00 0.00 H new ATOM 0 HB2 TYR A 298 -8.214 -10.651 -8.133 1.00 0.00 H new ATOM 0 HB3 TYR A 298 -7.241 -9.848 -9.349 1.00 0.00 H new ATOM 0 HD1 TYR A 298 -6.968 -12.510 -6.687 1.00 0.00 H new ATOM 0 HD2 TYR A 298 -5.622 -11.021 -10.504 1.00 0.00 H new ATOM 0 HE1 TYR A 298 -5.498 -14.502 -6.945 1.00 0.00 H new ATOM 0 HE2 TYR A 298 -4.152 -13.013 -10.767 1.00 0.00 H new ATOM 0 HH TYR A 298 -3.428 -14.929 -9.849 1.00 0.00 H new ATOM 185 N LYS A 299 -6.593 -10.181 -4.983 1.00 0.00 N ATOM 186 CA LYS A 299 -6.968 -10.337 -3.560 1.00 0.00 C ATOM 187 C LYS A 299 -6.833 -9.063 -2.696 1.00 0.00 C ATOM 188 O LYS A 299 -7.156 -9.110 -1.509 1.00 0.00 O ATOM 189 CB LYS A 299 -6.256 -11.575 -2.964 1.00 0.00 C ATOM 190 CG LYS A 299 -4.742 -11.706 -3.230 1.00 0.00 C ATOM 191 CD LYS A 299 -3.787 -11.341 -2.089 1.00 0.00 C ATOM 192 CE LYS A 299 -3.986 -9.951 -1.490 1.00 0.00 C ATOM 193 NZ LYS A 299 -2.823 -9.543 -0.665 1.00 0.00 N ATOM 0 H LYS A 299 -5.663 -10.554 -5.176 1.00 0.00 H new ATOM 0 HA LYS A 299 -8.044 -10.511 -3.537 1.00 0.00 H new ATOM 0 HB2 LYS A 299 -6.411 -11.569 -1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 299 -6.747 -12.468 -3.352 1.00 0.00 H new ATOM 0 HG2 LYS A 299 -4.540 -12.737 -3.520 1.00 0.00 H new ATOM 0 HG3 LYS A 299 -4.496 -11.079 -4.087 1.00 0.00 H new ATOM 0 HD2 LYS A 299 -3.897 -12.080 -1.295 1.00 0.00 H new ATOM 0 HD3 LYS A 299 -2.763 -11.417 -2.456 1.00 0.00 H new ATOM 0 HE2 LYS A 299 -4.137 -9.227 -2.291 1.00 0.00 H new ATOM 0 HE3 LYS A 299 -4.888 -9.943 -0.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 299 -2.953 -8.563 -0.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 299 -2.745 -10.171 0.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 299 -1.954 -9.609 -1.233 1.00 0.00 H new ATOM 207 N ALA A 300 -6.358 -7.944 -3.255 1.00 0.00 N ATOM 208 CA ALA A 300 -6.311 -6.616 -2.642 1.00 0.00 C ATOM 209 C ALA A 300 -7.587 -6.191 -1.873 1.00 0.00 C ATOM 210 O ALA A 300 -8.725 -6.522 -2.217 1.00 0.00 O ATOM 211 CB ALA A 300 -6.008 -5.588 -3.742 1.00 0.00 C ATOM 0 H ALA A 300 -5.975 -7.943 -4.200 1.00 0.00 H new ATOM 0 HA ALA A 300 -5.529 -6.659 -1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -5.968 -4.590 -3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -5.048 -5.821 -4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -6.792 -5.623 -4.498 1.00 0.00 H new ATOM 217 N THR A 301 -7.359 -5.369 -0.855 1.00 0.00 N ATOM 218 CA THR A 301 -8.293 -4.590 -0.023 1.00 0.00 C ATOM 219 C THR A 301 -7.503 -3.529 0.712 1.00 0.00 C ATOM 220 O THR A 301 -6.287 -3.616 0.778 1.00 0.00 O ATOM 221 CB THR A 301 -8.996 -5.403 1.078 1.00 0.00 C ATOM 222 OG1 THR A 301 -9.033 -6.795 0.845 1.00 0.00 O ATOM 223 CG2 THR A 301 -10.422 -4.913 1.188 1.00 0.00 C ATOM 0 H THR A 301 -6.399 -5.208 -0.550 1.00 0.00 H new ATOM 0 HA THR A 301 -9.047 -4.206 -0.710 1.00 0.00 H new ATOM 0 HB THR A 301 -8.418 -5.252 1.990 1.00 0.00 H new ATOM 0 HG1 THR A 301 -9.493 -7.239 1.588 1.00 0.00 H new ATOM 0 HG21 THR A 301 -10.941 -5.476 1.964 1.00 0.00 H new ATOM 0 HG22 THR A 301 -10.424 -3.854 1.445 1.00 0.00 H new ATOM 0 HG23 THR A 301 -10.930 -5.056 0.234 1.00 0.00 H new ATOM 231 N GLU A 302 -8.164 -2.548 1.314 1.00 0.00 N ATOM 232 CA GLU A 302 -7.477 -1.541 2.109 1.00 0.00 C ATOM 233 C GLU A 302 -6.741 -2.142 3.301 1.00 0.00 C ATOM 234 O GLU A 302 -5.551 -1.922 3.476 1.00 0.00 O ATOM 235 CB GLU A 302 -8.433 -0.436 2.542 1.00 0.00 C ATOM 236 CG GLU A 302 -9.867 -0.817 2.894 1.00 0.00 C ATOM 237 CD GLU A 302 -10.054 -1.691 4.137 1.00 0.00 C ATOM 238 OE1 GLU A 302 -10.017 -1.169 5.273 1.00 0.00 O ATOM 239 OE2 GLU A 302 -10.211 -2.924 3.966 1.00 0.00 O ATOM 0 H GLU A 302 -9.176 -2.429 1.266 1.00 0.00 H new ATOM 0 HA GLU A 302 -6.716 -1.096 1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -7.998 0.059 3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -8.472 0.302 1.741 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -10.440 0.100 3.032 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -10.301 -1.339 2.041 1.00 0.00 H new ATOM 246 N ASN A 303 -7.404 -2.972 4.092 1.00 0.00 N ATOM 247 CA ASN A 303 -6.764 -3.584 5.239 1.00 0.00 C ATOM 248 C ASN A 303 -5.700 -4.583 4.807 1.00 0.00 C ATOM 249 O ASN A 303 -4.627 -4.650 5.400 1.00 0.00 O ATOM 250 CB ASN A 303 -7.830 -4.160 6.163 1.00 0.00 C ATOM 251 CG ASN A 303 -8.414 -5.479 5.683 1.00 0.00 C ATOM 252 OD1 ASN A 303 -7.963 -6.558 6.043 1.00 0.00 O ATOM 253 ND2 ASN A 303 -9.412 -5.429 4.837 1.00 0.00 N ATOM 0 H ASN A 303 -8.381 -3.234 3.959 1.00 0.00 H new ATOM 0 HA ASN A 303 -6.222 -2.833 5.814 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -7.399 -4.304 7.154 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -8.636 -3.434 6.269 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -9.817 -6.292 4.475 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -9.784 -4.527 4.540 1.00 0.00 H new ATOM 260 N ASP A 304 -5.965 -5.268 3.697 1.00 0.00 N ATOM 261 CA ASP A 304 -5.018 -6.155 3.048 1.00 0.00 C ATOM 262 C ASP A 304 -3.682 -5.458 2.769 1.00 0.00 C ATOM 263 O ASP A 304 -2.625 -5.960 3.154 1.00 0.00 O ATOM 264 CB ASP A 304 -5.626 -6.699 1.768 1.00 0.00 C ATOM 265 CG ASP A 304 -4.623 -7.601 1.061 1.00 0.00 C ATOM 266 OD1 ASP A 304 -4.388 -8.732 1.540 1.00 0.00 O ATOM 267 OD2 ASP A 304 -4.027 -7.168 0.047 1.00 0.00 O ATOM 0 H ASP A 304 -6.864 -5.217 3.218 1.00 0.00 H new ATOM 0 HA ASP A 304 -4.806 -6.983 3.724 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -6.534 -7.258 1.995 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -5.913 -5.876 1.113 1.00 0.00 H new ATOM 272 N ILE A 305 -3.727 -4.268 2.166 1.00 0.00 N ATOM 273 CA ILE A 305 -2.507 -3.578 1.763 1.00 0.00 C ATOM 274 C ILE A 305 -1.713 -3.062 2.947 1.00 0.00 C ATOM 275 O ILE A 305 -0.497 -3.252 3.009 1.00 0.00 O ATOM 276 CB ILE A 305 -2.770 -2.460 0.750 1.00 0.00 C ATOM 277 CG1 ILE A 305 -3.834 -1.467 1.209 1.00 0.00 C ATOM 278 CG2 ILE A 305 -3.160 -3.147 -0.564 1.00 0.00 C ATOM 279 CD1 ILE A 305 -3.910 -0.169 0.446 1.00 0.00 C ATOM 0 H ILE A 305 -4.589 -3.768 1.949 1.00 0.00 H new ATOM 0 HA ILE A 305 -1.896 -4.331 1.264 1.00 0.00 H new ATOM 0 HB ILE A 305 -1.873 -1.853 0.629 1.00 0.00 H new ATOM 0 HG12 ILE A 305 -4.806 -1.956 1.150 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -3.656 -1.236 2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -3.359 -2.392 -1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -2.344 -3.789 -0.895 1.00 0.00 H new ATOM 0 HG23 ILE A 305 -4.055 -3.750 -0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -4.702 0.453 0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -2.958 0.355 0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -4.126 -0.375 -0.602 1.00 0.00 H new ATOM 291 N TYR A 306 -2.378 -2.438 3.917 1.00 0.00 N ATOM 292 CA TYR A 306 -1.617 -1.746 4.938 1.00 0.00 C ATOM 293 C TYR A 306 -1.145 -2.680 6.043 1.00 0.00 C ATOM 294 O TYR A 306 -0.113 -2.433 6.664 1.00 0.00 O ATOM 295 CB TYR A 306 -2.348 -0.523 5.446 1.00 0.00 C ATOM 296 CG TYR A 306 -3.416 -0.772 6.482 1.00 0.00 C ATOM 297 CD1 TYR A 306 -3.018 -1.044 7.803 1.00 0.00 C ATOM 298 CD2 TYR A 306 -4.778 -0.644 6.150 1.00 0.00 C ATOM 299 CE1 TYR A 306 -3.994 -1.199 8.806 1.00 0.00 C ATOM 300 CE2 TYR A 306 -5.756 -0.791 7.154 1.00 0.00 C ATOM 301 CZ TYR A 306 -5.365 -1.072 8.485 1.00 0.00 C ATOM 302 OH TYR A 306 -6.303 -1.229 9.458 1.00 0.00 O ATOM 0 H TYR A 306 -3.393 -2.399 4.013 1.00 0.00 H new ATOM 0 HA TYR A 306 -0.704 -1.376 4.471 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -1.615 0.165 5.867 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -2.806 -0.019 4.595 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -1.970 -1.134 8.047 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -5.072 -0.434 5.132 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -3.695 -1.415 9.821 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -6.803 -0.689 6.908 1.00 0.00 H new ATOM 0 HH TYR A 306 -7.196 -1.109 9.073 1.00 0.00 H new ATOM 312 N ASN A 307 -1.867 -3.781 6.246 1.00 0.00 N ATOM 313 CA ASN A 307 -1.409 -4.840 7.145 1.00 0.00 C ATOM 314 C ASN A 307 -0.330 -5.733 6.507 1.00 0.00 C ATOM 315 O ASN A 307 0.404 -6.391 7.249 1.00 0.00 O ATOM 316 CB ASN A 307 -2.593 -5.628 7.724 1.00 0.00 C ATOM 317 CG ASN A 307 -2.811 -6.994 7.091 1.00 0.00 C ATOM 318 OD1 ASN A 307 -2.533 -8.035 7.669 1.00 0.00 O ATOM 319 ND2 ASN A 307 -3.284 -7.031 5.873 1.00 0.00 N ATOM 0 H ASN A 307 -2.767 -3.963 5.803 1.00 0.00 H new ATOM 0 HA ASN A 307 -0.913 -4.362 7.989 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -2.437 -5.758 8.795 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -3.501 -5.037 7.603 1.00 0.00 H new ATOM 0 HD21 ASN A 307 -3.421 -7.927 5.406 1.00 0.00 H new ATOM 0 HD22 ASN A 307 -3.516 -6.163 5.390 1.00 0.00 H new ATOM 326 N PHE A 308 -0.184 -5.738 5.169 1.00 0.00 N ATOM 327 CA PHE A 308 1.006 -6.338 4.563 1.00 0.00 C ATOM 328 C PHE A 308 2.192 -5.411 4.788 1.00 0.00 C ATOM 329 O PHE A 308 3.227 -5.932 5.205 1.00 0.00 O ATOM 330 CB PHE A 308 0.845 -6.712 3.071 1.00 0.00 C ATOM 331 CG PHE A 308 1.553 -5.835 2.040 1.00 0.00 C ATOM 332 CD1 PHE A 308 2.954 -5.655 2.023 1.00 0.00 C ATOM 333 CD2 PHE A 308 0.781 -5.145 1.098 1.00 0.00 C ATOM 334 CE1 PHE A 308 3.537 -4.695 1.191 1.00 0.00 C ATOM 335 CE2 PHE A 308 1.350 -4.165 0.275 1.00 0.00 C ATOM 336 CZ PHE A 308 2.724 -3.917 0.360 1.00 0.00 C ATOM 0 H PHE A 308 -0.855 -5.345 4.509 1.00 0.00 H new ATOM 0 HA PHE A 308 1.175 -7.294 5.059 1.00 0.00 H new ATOM 0 HB2 PHE A 308 1.199 -7.735 2.941 1.00 0.00 H new ATOM 0 HB3 PHE A 308 -0.220 -6.711 2.838 1.00 0.00 H new ATOM 0 HD1 PHE A 308 3.580 -6.264 2.658 1.00 0.00 H new ATOM 0 HD2 PHE A 308 -0.271 -5.372 1.004 1.00 0.00 H new ATOM 0 HE1 PHE A 308 4.608 -4.555 1.190 1.00 0.00 H new ATOM 0 HE2 PHE A 308 0.736 -3.608 -0.417 1.00 0.00 H new ATOM 0 HZ PHE A 308 3.161 -3.118 -0.221 1.00 0.00 H new ATOM 346 N PHE A 309 2.033 -4.095 4.506 1.00 0.00 N ATOM 347 CA PHE A 309 3.109 -3.096 4.462 1.00 0.00 C ATOM 348 C PHE A 309 4.063 -3.358 5.635 1.00 0.00 C ATOM 349 O PHE A 309 5.126 -3.950 5.484 1.00 0.00 O ATOM 350 CB PHE A 309 2.532 -1.659 4.551 1.00 0.00 C ATOM 351 CG PHE A 309 2.569 -0.744 3.348 1.00 0.00 C ATOM 352 CD1 PHE A 309 3.815 -0.461 2.765 1.00 0.00 C ATOM 353 CD2 PHE A 309 1.450 0.032 2.990 1.00 0.00 C ATOM 354 CE1 PHE A 309 3.952 0.615 1.875 1.00 0.00 C ATOM 355 CE2 PHE A 309 1.582 1.078 2.063 1.00 0.00 C ATOM 356 CZ PHE A 309 2.832 1.376 1.512 1.00 0.00 C ATOM 0 H PHE A 309 1.118 -3.695 4.297 1.00 0.00 H new ATOM 0 HA PHE A 309 3.645 -3.180 3.517 1.00 0.00 H new ATOM 0 HB2 PHE A 309 1.489 -1.749 4.856 1.00 0.00 H new ATOM 0 HB3 PHE A 309 3.058 -1.150 5.359 1.00 0.00 H new ATOM 0 HD1 PHE A 309 4.672 -1.074 3.003 1.00 0.00 H new ATOM 0 HD2 PHE A 309 0.486 -0.178 3.430 1.00 0.00 H new ATOM 0 HE1 PHE A 309 4.923 0.858 1.469 1.00 0.00 H new ATOM 0 HE2 PHE A 309 0.715 1.654 1.775 1.00 0.00 H new ATOM 0 HZ PHE A 309 2.934 2.190 0.809 1.00 0.00 H new ATOM 366 N SER A 310 3.590 -3.008 6.823 1.00 0.00 N ATOM 367 CA SER A 310 4.191 -3.284 8.134 1.00 0.00 C ATOM 368 C SER A 310 3.099 -3.186 9.223 1.00 0.00 C ATOM 369 O SER A 310 1.940 -2.946 8.870 1.00 0.00 O ATOM 370 CB SER A 310 5.371 -2.324 8.404 1.00 0.00 C ATOM 371 OG SER A 310 5.695 -1.433 7.343 1.00 0.00 O ATOM 0 H SER A 310 2.717 -2.488 6.909 1.00 0.00 H new ATOM 0 HA SER A 310 4.599 -4.295 8.149 1.00 0.00 H new ATOM 0 HB2 SER A 310 5.141 -1.735 9.292 1.00 0.00 H new ATOM 0 HB3 SER A 310 6.254 -2.919 8.637 1.00 0.00 H new ATOM 0 HG SER A 310 6.552 -0.997 7.532 1.00 0.00 H new ATOM 377 N PRO A 311 3.387 -3.321 10.536 1.00 0.00 N ATOM 378 CA PRO A 311 2.389 -3.145 11.607 1.00 0.00 C ATOM 379 C PRO A 311 1.983 -1.668 11.869 1.00 0.00 C ATOM 380 O PRO A 311 1.872 -1.200 13.005 1.00 0.00 O ATOM 381 CB PRO A 311 2.980 -3.864 12.825 1.00 0.00 C ATOM 382 CG PRO A 311 4.474 -3.654 12.621 1.00 0.00 C ATOM 383 CD PRO A 311 4.635 -3.806 11.112 1.00 0.00 C ATOM 0 HA PRO A 311 1.430 -3.578 11.324 1.00 0.00 H new ATOM 0 HB2 PRO A 311 2.631 -3.432 13.763 1.00 0.00 H new ATOM 0 HB3 PRO A 311 2.715 -4.921 12.843 1.00 0.00 H new ATOM 0 HG2 PRO A 311 4.795 -2.671 12.965 1.00 0.00 H new ATOM 0 HG3 PRO A 311 5.064 -4.390 13.167 1.00 0.00 H new ATOM 0 HD2 PRO A 311 5.485 -3.229 10.748 1.00 0.00 H new ATOM 0 HD3 PRO A 311 4.815 -4.846 10.839 1.00 0.00 H new ATOM 391 N LEU A 312 1.810 -0.920 10.784 1.00 0.00 N ATOM 392 CA LEU A 312 1.484 0.505 10.688 1.00 0.00 C ATOM 393 C LEU A 312 0.009 0.822 10.974 1.00 0.00 C ATOM 394 O LEU A 312 -0.851 -0.060 11.017 1.00 0.00 O ATOM 395 CB LEU A 312 1.804 0.974 9.265 1.00 0.00 C ATOM 396 CG LEU A 312 3.180 0.595 8.711 1.00 0.00 C ATOM 397 CD1 LEU A 312 3.420 1.421 7.470 1.00 0.00 C ATOM 398 CD2 LEU A 312 4.380 0.844 9.610 1.00 0.00 C ATOM 0 H LEU A 312 1.903 -1.335 9.857 1.00 0.00 H new ATOM 0 HA LEU A 312 2.076 1.020 11.445 1.00 0.00 H new ATOM 0 HB2 LEU A 312 1.044 0.572 8.595 1.00 0.00 H new ATOM 0 HB3 LEU A 312 1.712 2.060 9.235 1.00 0.00 H new ATOM 0 HG LEU A 312 3.124 -0.483 8.563 1.00 0.00 H new ATOM 0 HD11 LEU A 312 4.395 1.173 7.051 1.00 0.00 H new ATOM 0 HD12 LEU A 312 2.644 1.207 6.735 1.00 0.00 H new ATOM 0 HD13 LEU A 312 3.394 2.480 7.727 1.00 0.00 H new ATOM 0 HD21 LEU A 312 5.290 0.532 9.097 1.00 0.00 H new ATOM 0 HD22 LEU A 312 4.443 1.906 9.847 1.00 0.00 H new ATOM 0 HD23 LEU A 312 4.269 0.273 10.532 1.00 0.00 H new ATOM 410 N ASN A 313 -0.292 2.115 11.079 1.00 0.00 N ATOM 411 CA ASN A 313 -1.618 2.713 11.200 1.00 0.00 C ATOM 412 C ASN A 313 -1.774 3.881 10.188 1.00 0.00 C ATOM 413 O ASN A 313 -1.609 5.055 10.536 1.00 0.00 O ATOM 414 CB ASN A 313 -1.867 3.172 12.648 1.00 0.00 C ATOM 415 CG ASN A 313 -2.325 2.105 13.635 1.00 0.00 C ATOM 416 OD1 ASN A 313 -2.856 2.412 14.694 1.00 0.00 O ATOM 417 ND2 ASN A 313 -2.168 0.833 13.348 1.00 0.00 N ATOM 0 H ASN A 313 0.441 2.824 11.082 1.00 0.00 H new ATOM 0 HA ASN A 313 -2.373 1.965 10.959 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -0.946 3.614 13.028 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -2.617 3.963 12.630 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -2.487 0.119 14.003 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -1.727 0.559 12.470 1.00 0.00 H new ATOM 424 N PRO A 314 -2.115 3.583 8.920 1.00 0.00 N ATOM 425 CA PRO A 314 -2.761 4.510 8.020 1.00 0.00 C ATOM 426 C PRO A 314 -4.117 4.841 8.601 1.00 0.00 C ATOM 427 O PRO A 314 -5.030 4.019 8.715 1.00 0.00 O ATOM 428 CB PRO A 314 -2.875 3.854 6.656 1.00 0.00 C ATOM 429 CG PRO A 314 -2.650 2.382 6.921 1.00 0.00 C ATOM 430 CD PRO A 314 -2.373 2.266 8.429 1.00 0.00 C ATOM 0 HA PRO A 314 -2.194 5.434 7.903 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -3.854 4.032 6.211 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -2.133 4.250 5.962 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -3.524 1.796 6.638 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -1.810 2.004 6.339 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -3.227 1.826 8.943 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -1.519 1.614 8.613 1.00 0.00 H new ATOM 438 N VAL A 315 -4.209 6.094 8.994 1.00 0.00 N ATOM 439 CA VAL A 315 -5.407 6.711 9.555 1.00 0.00 C ATOM 440 C VAL A 315 -6.519 6.862 8.516 1.00 0.00 C ATOM 441 O VAL A 315 -7.654 7.191 8.861 1.00 0.00 O ATOM 442 CB VAL A 315 -5.007 8.045 10.189 1.00 0.00 C ATOM 443 CG1 VAL A 315 -4.017 7.719 11.312 1.00 0.00 C ATOM 444 CG2 VAL A 315 -4.328 9.001 9.197 1.00 0.00 C ATOM 0 H VAL A 315 -3.424 6.742 8.932 1.00 0.00 H new ATOM 0 HA VAL A 315 -5.827 6.063 10.324 1.00 0.00 H new ATOM 0 HB VAL A 315 -5.906 8.548 10.545 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -3.700 8.642 11.797 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -4.498 7.071 12.044 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -3.147 7.212 10.894 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -4.068 9.929 9.706 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -3.423 8.536 8.805 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -5.010 9.217 8.375 1.00 0.00 H new ATOM 454 N ARG A 316 -6.188 6.580 7.248 1.00 0.00 N ATOM 455 CA ARG A 316 -7.084 6.550 6.096 1.00 0.00 C ATOM 456 C ARG A 316 -6.524 5.614 4.998 1.00 0.00 C ATOM 457 O ARG A 316 -5.320 5.364 4.974 1.00 0.00 O ATOM 458 CB ARG A 316 -7.197 8.008 5.606 1.00 0.00 C ATOM 459 CG ARG A 316 -8.546 8.701 5.875 1.00 0.00 C ATOM 460 CD ARG A 316 -9.644 8.272 4.893 1.00 0.00 C ATOM 461 NE ARG A 316 -9.235 8.540 3.501 1.00 0.00 N ATOM 462 CZ ARG A 316 -9.680 7.968 2.406 1.00 0.00 C ATOM 463 NH1 ARG A 316 -10.758 7.237 2.374 1.00 0.00 N ATOM 464 NH2 ARG A 316 -8.993 8.127 1.319 1.00 0.00 N ATOM 0 H ARG A 316 -5.228 6.354 6.990 1.00 0.00 H new ATOM 0 HA ARG A 316 -8.067 6.157 6.355 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -6.408 8.593 6.079 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -7.008 8.027 4.533 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -8.867 8.477 6.892 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -8.412 9.781 5.814 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -9.854 7.210 5.017 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -10.567 8.808 5.115 1.00 0.00 H new ATOM 0 HE ARG A 316 -8.520 9.256 3.374 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -11.298 7.088 3.226 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -11.062 6.814 1.497 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -8.137 8.682 1.333 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -9.308 7.697 0.449 1.00 0.00 H new ATOM 478 N VAL A 317 -7.336 5.131 4.053 1.00 0.00 N ATOM 479 CA VAL A 317 -6.855 4.353 2.879 1.00 0.00 C ATOM 480 C VAL A 317 -7.698 4.655 1.635 1.00 0.00 C ATOM 481 O VAL A 317 -8.904 4.888 1.729 1.00 0.00 O ATOM 482 CB VAL A 317 -6.860 2.820 3.119 1.00 0.00 C ATOM 483 CG1 VAL A 317 -5.997 2.076 2.085 1.00 0.00 C ATOM 484 CG2 VAL A 317 -6.381 2.334 4.483 1.00 0.00 C ATOM 0 H VAL A 317 -8.347 5.262 4.069 1.00 0.00 H new ATOM 0 HA VAL A 317 -5.823 4.669 2.724 1.00 0.00 H new ATOM 0 HB VAL A 317 -7.923 2.595 3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -6.027 1.006 2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -6.384 2.266 1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -4.968 2.428 2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -6.434 1.246 4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -5.351 2.653 4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -7.015 2.755 5.263 1.00 0.00 H new ATOM 494 N HIS A 318 -7.076 4.578 0.460 1.00 0.00 N ATOM 495 CA HIS A 318 -7.655 4.842 -0.856 1.00 0.00 C ATOM 496 C HIS A 318 -7.289 3.709 -1.822 1.00 0.00 C ATOM 497 O HIS A 318 -6.389 3.799 -2.656 1.00 0.00 O ATOM 498 CB HIS A 318 -7.176 6.218 -1.323 1.00 0.00 C ATOM 499 CG HIS A 318 -7.487 6.584 -2.753 1.00 0.00 C ATOM 500 ND1 HIS A 318 -8.696 6.981 -3.284 1.00 0.00 N ATOM 501 CD2 HIS A 318 -6.574 6.612 -3.771 1.00 0.00 C ATOM 502 CE1 HIS A 318 -8.505 7.261 -4.587 1.00 0.00 C ATOM 503 NE2 HIS A 318 -7.218 7.064 -4.929 1.00 0.00 N ATOM 0 H HIS A 318 -6.093 4.313 0.398 1.00 0.00 H new ATOM 0 HA HIS A 318 -8.744 4.865 -0.816 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -7.618 6.973 -0.673 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -6.096 6.270 -1.184 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -5.533 6.333 -3.695 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -9.277 7.597 -5.264 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -6.797 7.214 -5.846 1.00 0.00 H new ATOM 511 N ILE A 319 -7.996 2.598 -1.642 1.00 0.00 N ATOM 512 CA ILE A 319 -7.826 1.287 -2.285 1.00 0.00 C ATOM 513 C ILE A 319 -8.310 1.231 -3.751 1.00 0.00 C ATOM 514 O ILE A 319 -9.061 0.376 -4.217 1.00 0.00 O ATOM 515 CB ILE A 319 -8.476 0.260 -1.362 1.00 0.00 C ATOM 516 CG1 ILE A 319 -8.164 -1.177 -1.787 1.00 0.00 C ATOM 517 CG2 ILE A 319 -9.996 0.454 -1.202 1.00 0.00 C ATOM 518 CD1 ILE A 319 -6.678 -1.548 -1.896 1.00 0.00 C ATOM 0 H ILE A 319 -8.775 2.585 -0.984 1.00 0.00 H new ATOM 0 HA ILE A 319 -6.766 1.061 -2.401 1.00 0.00 H new ATOM 0 HB ILE A 319 -8.028 0.436 -0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -8.634 -1.854 -1.074 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -8.633 -1.357 -2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -10.392 -0.310 -0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -10.195 1.441 -0.784 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -10.478 0.369 -2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -6.585 -2.589 -2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -6.196 -0.907 -2.634 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -6.197 -1.412 -0.927 1.00 0.00 H new ATOM 530 N GLU A 320 -7.913 2.249 -4.481 1.00 0.00 N ATOM 531 CA GLU A 320 -8.320 2.517 -5.859 1.00 0.00 C ATOM 532 C GLU A 320 -7.804 1.443 -6.830 1.00 0.00 C ATOM 533 O GLU A 320 -6.624 1.090 -6.820 1.00 0.00 O ATOM 534 CB GLU A 320 -7.867 3.926 -6.253 1.00 0.00 C ATOM 535 CG GLU A 320 -8.579 4.472 -7.496 1.00 0.00 C ATOM 536 CD GLU A 320 -10.095 4.640 -7.260 1.00 0.00 C ATOM 537 OE1 GLU A 320 -10.533 5.718 -6.790 1.00 0.00 O ATOM 538 OE2 GLU A 320 -10.859 3.684 -7.538 1.00 0.00 O ATOM 0 H GLU A 320 -7.267 2.951 -4.121 1.00 0.00 H new ATOM 0 HA GLU A 320 -9.407 2.472 -5.923 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -8.043 4.603 -5.417 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -6.792 3.916 -6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -8.145 5.433 -7.771 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -8.414 3.797 -8.335 1.00 0.00 H new ATOM 545 N ILE A 321 -8.710 0.908 -7.652 1.00 0.00 N ATOM 546 CA ILE A 321 -8.530 -0.287 -8.493 1.00 0.00 C ATOM 547 C ILE A 321 -9.391 -0.185 -9.769 1.00 0.00 C ATOM 548 O ILE A 321 -10.326 0.614 -9.844 1.00 0.00 O ATOM 549 CB ILE A 321 -8.885 -1.551 -7.651 1.00 0.00 C ATOM 550 CG1 ILE A 321 -7.748 -1.954 -6.672 1.00 0.00 C ATOM 551 CG2 ILE A 321 -9.310 -2.751 -8.517 1.00 0.00 C ATOM 552 CD1 ILE A 321 -7.223 -3.397 -6.765 1.00 0.00 C ATOM 0 H ILE A 321 -9.639 1.315 -7.757 1.00 0.00 H new ATOM 0 HA ILE A 321 -7.492 -0.364 -8.818 1.00 0.00 H new ATOM 0 HB ILE A 321 -9.750 -1.262 -7.054 1.00 0.00 H new ATOM 0 HG12 ILE A 321 -6.908 -1.277 -6.832 1.00 0.00 H new ATOM 0 HG13 ILE A 321 -8.102 -1.788 -5.655 1.00 0.00 H new ATOM 0 HG21 ILE A 321 -9.544 -3.599 -7.874 1.00 0.00 H new ATOM 0 HG22 ILE A 321 -10.191 -2.484 -9.101 1.00 0.00 H new ATOM 0 HG23 ILE A 321 -8.496 -3.020 -9.190 1.00 0.00 H new ATOM 0 HD11 ILE A 321 -6.434 -3.545 -6.028 1.00 0.00 H new ATOM 0 HD12 ILE A 321 -8.038 -4.094 -6.569 1.00 0.00 H new ATOM 0 HD13 ILE A 321 -6.825 -3.576 -7.764 1.00 0.00 H new ATOM 564 N GLY A 322 -9.088 -1.065 -10.728 1.00 0.00 N ATOM 565 CA GLY A 322 -9.803 -1.394 -11.955 1.00 0.00 C ATOM 566 C GLY A 322 -11.335 -1.208 -11.941 1.00 0.00 C ATOM 567 O GLY A 322 -11.820 -0.122 -12.277 1.00 0.00 O ATOM 0 H GLY A 322 -8.239 -1.625 -10.649 1.00 0.00 H new ATOM 0 HA2 GLY A 322 -9.394 -0.783 -12.760 1.00 0.00 H new ATOM 0 HA3 GLY A 322 -9.590 -2.434 -12.204 1.00 0.00 H new ATOM 571 N PRO A 323 -12.111 -2.258 -11.592 1.00 0.00 N ATOM 572 CA PRO A 323 -13.579 -2.217 -11.601 1.00 0.00 C ATOM 573 C PRO A 323 -14.229 -1.841 -10.253 1.00 0.00 C ATOM 574 O PRO A 323 -15.281 -1.202 -10.237 1.00 0.00 O ATOM 575 CB PRO A 323 -13.982 -3.645 -11.997 1.00 0.00 C ATOM 576 CG PRO A 323 -12.884 -4.517 -11.386 1.00 0.00 C ATOM 577 CD PRO A 323 -11.647 -3.640 -11.534 1.00 0.00 C ATOM 0 HA PRO A 323 -13.924 -1.437 -12.280 1.00 0.00 H new ATOM 0 HB2 PRO A 323 -14.965 -3.906 -11.605 1.00 0.00 H new ATOM 0 HB3 PRO A 323 -14.029 -3.762 -13.080 1.00 0.00 H new ATOM 0 HG2 PRO A 323 -13.089 -4.756 -10.343 1.00 0.00 H new ATOM 0 HG3 PRO A 323 -12.776 -5.464 -11.915 1.00 0.00 H new ATOM 0 HD2 PRO A 323 -10.969 -3.784 -10.693 1.00 0.00 H new ATOM 0 HD3 PRO A 323 -11.095 -3.900 -12.437 1.00 0.00 H new ATOM 585 N ASP A 324 -13.645 -2.280 -9.128 1.00 0.00 N ATOM 586 CA ASP A 324 -14.302 -2.357 -7.800 1.00 0.00 C ATOM 587 C ASP A 324 -13.349 -2.748 -6.637 1.00 0.00 C ATOM 588 O ASP A 324 -13.626 -2.446 -5.477 1.00 0.00 O ATOM 589 CB ASP A 324 -15.448 -3.393 -7.894 1.00 0.00 C ATOM 590 CG ASP A 324 -16.360 -3.459 -6.656 1.00 0.00 C ATOM 591 OD1 ASP A 324 -16.835 -2.401 -6.180 1.00 0.00 O ATOM 592 OD2 ASP A 324 -16.648 -4.587 -6.187 1.00 0.00 O ATOM 0 H ASP A 324 -12.677 -2.601 -9.109 1.00 0.00 H new ATOM 0 HA ASP A 324 -14.665 -1.357 -7.562 1.00 0.00 H new ATOM 0 HB2 ASP A 324 -16.059 -3.160 -8.766 1.00 0.00 H new ATOM 0 HB3 ASP A 324 -15.015 -4.379 -8.062 1.00 0.00 H new ATOM 597 N GLY A 325 -12.230 -3.426 -6.936 1.00 0.00 N ATOM 598 CA GLY A 325 -11.237 -3.911 -5.953 1.00 0.00 C ATOM 599 C GLY A 325 -10.677 -5.302 -6.230 1.00 0.00 C ATOM 600 O GLY A 325 -10.492 -6.046 -5.269 1.00 0.00 O ATOM 0 H GLY A 325 -11.980 -3.661 -7.896 1.00 0.00 H new ATOM 0 HA2 GLY A 325 -10.409 -3.203 -5.918 1.00 0.00 H new ATOM 0 HA3 GLY A 325 -11.698 -3.912 -4.965 1.00 0.00 H new ATOM 604 N ARG A 326 -10.536 -5.722 -7.504 1.00 0.00 N ATOM 605 CA ARG A 326 -10.315 -7.145 -7.825 1.00 0.00 C ATOM 606 C ARG A 326 -9.206 -7.371 -8.872 1.00 0.00 C ATOM 607 O ARG A 326 -9.217 -8.374 -9.579 1.00 0.00 O ATOM 608 CB ARG A 326 -11.619 -7.898 -8.204 1.00 0.00 C ATOM 609 CG ARG A 326 -12.710 -7.941 -7.115 1.00 0.00 C ATOM 610 CD ARG A 326 -13.560 -6.674 -7.205 1.00 0.00 C ATOM 611 NE ARG A 326 -14.482 -6.415 -6.082 1.00 0.00 N ATOM 612 CZ ARG A 326 -14.247 -6.204 -4.800 1.00 0.00 C ATOM 613 NH1 ARG A 326 -13.116 -6.434 -4.198 1.00 0.00 N ATOM 614 NH2 ARG A 326 -15.207 -5.699 -4.087 1.00 0.00 N ATOM 0 H ARG A 326 -10.571 -5.105 -8.316 1.00 0.00 H new ATOM 0 HA ARG A 326 -9.958 -7.585 -6.894 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -12.040 -7.432 -9.095 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -11.360 -8.922 -8.473 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -13.336 -8.824 -7.245 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -12.253 -8.017 -6.128 1.00 0.00 H new ATOM 0 HD2 ARG A 326 -12.889 -5.820 -7.299 1.00 0.00 H new ATOM 0 HD3 ARG A 326 -14.146 -6.722 -8.123 1.00 0.00 H new ATOM 0 HE ARG A 326 -15.469 -6.396 -6.340 1.00 0.00 H new ATOM 0 HH11 ARG A 326 -12.325 -6.807 -4.723 1.00 0.00 H new ATOM 0 HH12 ARG A 326 -13.021 -6.242 -3.201 1.00 0.00 H new ATOM 0 HH21 ARG A 326 -16.104 -5.480 -4.521 1.00 0.00 H new ATOM 0 HH22 ARG A 326 -15.065 -5.521 -3.093 1.00 0.00 H new ATOM 628 N VAL A 327 -8.310 -6.391 -9.057 1.00 0.00 N ATOM 629 CA VAL A 327 -7.389 -6.254 -10.216 1.00 0.00 C ATOM 630 C VAL A 327 -6.010 -5.729 -9.750 1.00 0.00 C ATOM 631 O VAL A 327 -5.727 -5.739 -8.556 1.00 0.00 O ATOM 632 CB VAL A 327 -8.104 -5.416 -11.326 1.00 0.00 C ATOM 633 CG1 VAL A 327 -7.315 -5.036 -12.587 1.00 0.00 C ATOM 634 CG2 VAL A 327 -9.304 -6.223 -11.829 1.00 0.00 C ATOM 0 H VAL A 327 -8.195 -5.636 -8.380 1.00 0.00 H new ATOM 0 HA VAL A 327 -7.161 -7.217 -10.672 1.00 0.00 H new ATOM 0 HB VAL A 327 -8.320 -4.476 -10.819 1.00 0.00 H new ATOM 0 HG11 VAL A 327 -7.953 -4.457 -13.255 1.00 0.00 H new ATOM 0 HG12 VAL A 327 -6.447 -4.439 -12.307 1.00 0.00 H new ATOM 0 HG13 VAL A 327 -6.984 -5.941 -13.096 1.00 0.00 H new ATOM 0 HG21 VAL A 327 -9.821 -5.660 -12.606 1.00 0.00 H new ATOM 0 HG22 VAL A 327 -8.958 -7.172 -12.238 1.00 0.00 H new ATOM 0 HG23 VAL A 327 -9.988 -6.412 -11.002 1.00 0.00 H new ATOM 644 N THR A 328 -5.153 -5.298 -10.681 1.00 0.00 N ATOM 645 CA THR A 328 -3.749 -4.824 -10.609 1.00 0.00 C ATOM 646 C THR A 328 -3.379 -3.722 -9.587 1.00 0.00 C ATOM 647 O THR A 328 -2.271 -3.194 -9.651 1.00 0.00 O ATOM 648 CB THR A 328 -3.363 -4.359 -12.028 1.00 0.00 C ATOM 649 OG1 THR A 328 -1.965 -4.359 -12.215 1.00 0.00 O ATOM 650 CG2 THR A 328 -3.911 -2.969 -12.377 1.00 0.00 C ATOM 0 H THR A 328 -5.468 -5.266 -11.651 1.00 0.00 H new ATOM 0 HA THR A 328 -3.187 -5.677 -10.230 1.00 0.00 H new ATOM 0 HB THR A 328 -3.823 -5.084 -12.700 1.00 0.00 H new ATOM 0 HG1 THR A 328 -1.531 -3.953 -11.436 1.00 0.00 H new ATOM 0 HG21 THR A 328 -3.604 -2.700 -13.388 1.00 0.00 H new ATOM 0 HG22 THR A 328 -4.999 -2.982 -12.319 1.00 0.00 H new ATOM 0 HG23 THR A 328 -3.519 -2.236 -11.672 1.00 0.00 H new ATOM 658 N GLY A 329 -4.317 -3.351 -8.716 1.00 0.00 N ATOM 659 CA GLY A 329 -4.452 -2.197 -7.814 1.00 0.00 C ATOM 660 C GLY A 329 -3.432 -1.061 -7.742 1.00 0.00 C ATOM 661 O GLY A 329 -2.220 -1.223 -7.839 1.00 0.00 O ATOM 0 H GLY A 329 -5.135 -3.951 -8.609 1.00 0.00 H new ATOM 0 HA2 GLY A 329 -5.411 -1.735 -8.048 1.00 0.00 H new ATOM 0 HA3 GLY A 329 -4.532 -2.603 -6.806 1.00 0.00 H new ATOM 665 N GLU A 330 -3.994 0.129 -7.550 1.00 0.00 N ATOM 666 CA GLU A 330 -3.602 1.362 -8.239 1.00 0.00 C ATOM 667 C GLU A 330 -3.812 2.564 -7.283 1.00 0.00 C ATOM 668 O GLU A 330 -4.403 3.590 -7.629 1.00 0.00 O ATOM 669 CB GLU A 330 -4.472 1.482 -9.517 1.00 0.00 C ATOM 670 CG GLU A 330 -4.368 0.292 -10.488 1.00 0.00 C ATOM 671 CD GLU A 330 -5.362 0.408 -11.656 1.00 0.00 C ATOM 672 OE1 GLU A 330 -5.182 1.280 -12.542 1.00 0.00 O ATOM 673 OE2 GLU A 330 -6.324 -0.395 -11.697 1.00 0.00 O ATOM 0 H GLU A 330 -4.759 0.270 -6.890 1.00 0.00 H new ATOM 0 HA GLU A 330 -2.550 1.349 -8.525 1.00 0.00 H new ATOM 0 HB2 GLU A 330 -5.514 1.599 -9.219 1.00 0.00 H new ATOM 0 HB3 GLU A 330 -4.188 2.391 -10.048 1.00 0.00 H new ATOM 0 HG2 GLU A 330 -3.353 0.233 -10.881 1.00 0.00 H new ATOM 0 HG3 GLU A 330 -4.554 -0.635 -9.946 1.00 0.00 H new ATOM 680 N ALA A 331 -3.392 2.378 -6.029 1.00 0.00 N ATOM 681 CA ALA A 331 -3.991 2.914 -4.808 1.00 0.00 C ATOM 682 C ALA A 331 -3.046 3.835 -4.026 1.00 0.00 C ATOM 683 O ALA A 331 -1.853 3.924 -4.322 1.00 0.00 O ATOM 684 CB ALA A 331 -4.373 1.680 -3.972 1.00 0.00 C ATOM 0 H ALA A 331 -2.569 1.810 -5.828 1.00 0.00 H new ATOM 0 HA ALA A 331 -4.849 3.541 -5.049 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -4.830 2.002 -3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -5.081 1.067 -4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 331 -3.479 1.096 -3.756 1.00 0.00 H new ATOM 690 N ASP A 332 -3.571 4.478 -2.984 1.00 0.00 N ATOM 691 CA ASP A 332 -2.794 5.224 -1.998 1.00 0.00 C ATOM 692 C ASP A 332 -3.302 4.951 -0.578 1.00 0.00 C ATOM 693 O ASP A 332 -4.392 4.420 -0.361 1.00 0.00 O ATOM 694 CB ASP A 332 -2.791 6.738 -2.291 1.00 0.00 C ATOM 695 CG ASP A 332 -1.505 7.256 -2.944 1.00 0.00 C ATOM 696 OD1 ASP A 332 -1.413 7.254 -4.191 1.00 0.00 O ATOM 697 OD2 ASP A 332 -0.621 7.738 -2.195 1.00 0.00 O ATOM 0 H ASP A 332 -4.574 4.494 -2.798 1.00 0.00 H new ATOM 0 HA ASP A 332 -1.764 4.874 -2.071 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -3.634 6.971 -2.942 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -2.952 7.276 -1.357 1.00 0.00 H new ATOM 702 N VAL A 333 -2.473 5.283 0.405 1.00 0.00 N ATOM 703 CA VAL A 333 -2.689 4.948 1.817 1.00 0.00 C ATOM 704 C VAL A 333 -2.117 6.036 2.687 1.00 0.00 C ATOM 705 O VAL A 333 -1.026 6.529 2.431 1.00 0.00 O ATOM 706 CB VAL A 333 -2.113 3.550 2.163 1.00 0.00 C ATOM 707 CG1 VAL A 333 -1.709 2.683 0.968 1.00 0.00 C ATOM 708 CG2 VAL A 333 -0.929 3.494 3.114 1.00 0.00 C ATOM 0 H VAL A 333 -1.611 5.804 0.244 1.00 0.00 H new ATOM 0 HA VAL A 333 -3.760 4.889 2.010 1.00 0.00 H new ATOM 0 HB VAL A 333 -2.999 3.157 2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -1.320 1.729 1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -2.579 2.506 0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -0.939 3.195 0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -0.632 2.456 3.265 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -0.094 4.052 2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -1.210 3.934 4.071 1.00 0.00 H new ATOM 718 N GLU A 334 -2.880 6.436 3.694 1.00 0.00 N ATOM 719 CA GLU A 334 -2.787 7.761 4.283 1.00 0.00 C ATOM 720 C GLU A 334 -2.308 7.669 5.726 1.00 0.00 C ATOM 721 O GLU A 334 -3.066 7.356 6.643 1.00 0.00 O ATOM 722 CB GLU A 334 -4.163 8.413 4.214 1.00 0.00 C ATOM 723 CG GLU A 334 -4.463 9.198 2.941 1.00 0.00 C ATOM 724 CD GLU A 334 -5.813 8.794 2.319 1.00 0.00 C ATOM 725 OE1 GLU A 334 -5.923 7.677 1.772 1.00 0.00 O ATOM 726 OE2 GLU A 334 -6.795 9.573 2.396 1.00 0.00 O ATOM 0 H GLU A 334 -3.587 5.843 4.128 1.00 0.00 H new ATOM 0 HA GLU A 334 -2.065 8.364 3.733 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -4.919 7.635 4.325 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -4.269 9.085 5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -4.472 10.264 3.166 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -3.666 9.032 2.216 1.00 0.00 H new ATOM 733 N PHE A 335 -1.032 7.967 5.928 1.00 0.00 N ATOM 734 CA PHE A 335 -0.297 7.587 7.130 1.00 0.00 C ATOM 735 C PHE A 335 0.011 8.753 8.068 1.00 0.00 C ATOM 736 O PHE A 335 -0.007 9.913 7.654 1.00 0.00 O ATOM 737 CB PHE A 335 1.034 6.965 6.693 1.00 0.00 C ATOM 738 CG PHE A 335 1.013 5.494 6.339 1.00 0.00 C ATOM 739 CD1 PHE A 335 0.510 4.532 7.230 1.00 0.00 C ATOM 740 CD2 PHE A 335 1.621 5.067 5.154 1.00 0.00 C ATOM 741 CE1 PHE A 335 0.531 3.176 6.887 1.00 0.00 C ATOM 742 CE2 PHE A 335 1.654 3.706 4.806 1.00 0.00 C ATOM 743 CZ PHE A 335 1.055 2.763 5.654 1.00 0.00 C ATOM 0 H PHE A 335 -0.469 8.486 5.254 1.00 0.00 H new ATOM 0 HA PHE A 335 -0.931 6.895 7.684 1.00 0.00 H new ATOM 0 HB2 PHE A 335 1.400 7.518 5.828 1.00 0.00 H new ATOM 0 HB3 PHE A 335 1.758 7.112 7.495 1.00 0.00 H new ATOM 0 HD1 PHE A 335 0.106 4.840 8.183 1.00 0.00 H new ATOM 0 HD2 PHE A 335 2.072 5.795 4.496 1.00 0.00 H new ATOM 0 HE1 PHE A 335 0.141 2.442 7.577 1.00 0.00 H new ATOM 0 HE2 PHE A 335 2.136 3.389 3.893 1.00 0.00 H new ATOM 0 HZ PHE A 335 0.998 1.726 5.359 1.00 0.00 H new ATOM 753 N ALA A 336 0.412 8.415 9.297 1.00 0.00 N ATOM 754 CA ALA A 336 1.035 9.295 10.266 1.00 0.00 C ATOM 755 C ALA A 336 2.513 9.576 9.949 1.00 0.00 C ATOM 756 O ALA A 336 3.420 9.280 10.731 1.00 0.00 O ATOM 757 CB ALA A 336 0.940 8.681 11.649 1.00 0.00 C ATOM 0 H ALA A 336 0.300 7.466 9.653 1.00 0.00 H new ATOM 0 HA ALA A 336 0.499 10.243 10.223 1.00 0.00 H new ATOM 0 HB1 ALA A 336 1.409 9.345 12.375 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -0.108 8.538 11.912 1.00 0.00 H new ATOM 0 HB3 ALA A 336 1.450 7.718 11.655 1.00 0.00 H new ATOM 763 N THR A 337 2.774 10.091 8.760 1.00 0.00 N ATOM 764 CA THR A 337 3.855 10.991 8.362 1.00 0.00 C ATOM 765 C THR A 337 4.753 10.299 7.351 1.00 0.00 C ATOM 766 O THR A 337 4.616 9.098 7.116 1.00 0.00 O ATOM 767 CB THR A 337 4.634 11.610 9.534 1.00 0.00 C ATOM 768 OG1 THR A 337 5.440 10.720 10.246 1.00 0.00 O ATOM 769 CG2 THR A 337 3.752 12.459 10.450 1.00 0.00 C ATOM 0 H THR A 337 2.175 9.869 7.964 1.00 0.00 H new ATOM 0 HA THR A 337 3.392 11.855 7.885 1.00 0.00 H new ATOM 0 HB THR A 337 5.339 12.286 9.051 1.00 0.00 H new ATOM 0 HG1 THR A 337 4.875 10.097 10.748 1.00 0.00 H new ATOM 0 HG21 THR A 337 4.356 12.870 11.259 1.00 0.00 H new ATOM 0 HG22 THR A 337 3.311 13.274 9.877 1.00 0.00 H new ATOM 0 HG23 THR A 337 2.959 11.839 10.868 1.00 0.00 H new ATOM 777 N HIS A 338 5.699 11.041 6.771 1.00 0.00 N ATOM 778 CA HIS A 338 6.816 10.443 6.043 1.00 0.00 C ATOM 779 C HIS A 338 7.456 9.338 6.875 1.00 0.00 C ATOM 780 O HIS A 338 7.708 8.275 6.356 1.00 0.00 O ATOM 781 CB HIS A 338 7.796 11.555 5.651 1.00 0.00 C ATOM 782 CG HIS A 338 9.161 11.089 5.224 1.00 0.00 C ATOM 783 ND1 HIS A 338 9.458 10.100 4.313 1.00 0.00 N ATOM 784 CD2 HIS A 338 10.348 11.572 5.703 1.00 0.00 C ATOM 785 CE1 HIS A 338 10.795 9.987 4.242 1.00 0.00 C ATOM 786 NE2 HIS A 338 11.385 10.867 5.074 1.00 0.00 N ATOM 0 H HIS A 338 5.712 12.061 6.793 1.00 0.00 H new ATOM 0 HA HIS A 338 6.473 9.966 5.125 1.00 0.00 H new ATOM 0 HB2 HIS A 338 7.357 12.133 4.838 1.00 0.00 H new ATOM 0 HB3 HIS A 338 7.910 12.231 6.498 1.00 0.00 H new ATOM 0 HD2 HIS A 338 10.466 12.357 6.435 1.00 0.00 H new ATOM 0 HE1 HIS A 338 11.322 9.290 3.608 1.00 0.00 H new ATOM 0 HE2 HIS A 338 12.387 10.995 5.218 1.00 0.00 H new ATOM 794 N GLU A 339 7.602 9.517 8.176 1.00 0.00 N ATOM 795 CA GLU A 339 8.147 8.547 9.116 1.00 0.00 C ATOM 796 C GLU A 339 7.267 7.294 9.333 1.00 0.00 C ATOM 797 O GLU A 339 7.821 6.196 9.431 1.00 0.00 O ATOM 798 CB GLU A 339 8.507 9.277 10.414 1.00 0.00 C ATOM 799 CG GLU A 339 9.650 10.271 10.147 1.00 0.00 C ATOM 800 CD GLU A 339 10.164 10.905 11.452 1.00 0.00 C ATOM 801 OE1 GLU A 339 10.973 10.263 12.168 1.00 0.00 O ATOM 802 OE2 GLU A 339 9.777 12.057 11.769 1.00 0.00 O ATOM 0 H GLU A 339 7.330 10.388 8.631 1.00 0.00 H new ATOM 0 HA GLU A 339 9.051 8.123 8.679 1.00 0.00 H new ATOM 0 HB2 GLU A 339 7.635 9.805 10.800 1.00 0.00 H new ATOM 0 HB3 GLU A 339 8.807 8.558 11.176 1.00 0.00 H new ATOM 0 HG2 GLU A 339 10.469 9.758 9.643 1.00 0.00 H new ATOM 0 HG3 GLU A 339 9.302 11.054 9.473 1.00 0.00 H new ATOM 809 N GLU A 340 5.926 7.371 9.311 1.00 0.00 N ATOM 810 CA GLU A 340 5.095 6.164 9.233 1.00 0.00 C ATOM 811 C GLU A 340 5.234 5.451 7.880 1.00 0.00 C ATOM 812 O GLU A 340 5.410 4.238 7.781 1.00 0.00 O ATOM 813 CB GLU A 340 3.650 6.553 9.521 1.00 0.00 C ATOM 814 CG GLU A 340 2.603 5.453 9.408 1.00 0.00 C ATOM 815 CD GLU A 340 2.638 4.491 10.612 1.00 0.00 C ATOM 816 OE1 GLU A 340 3.727 4.074 11.069 1.00 0.00 O ATOM 817 OE2 GLU A 340 1.550 4.166 11.131 1.00 0.00 O ATOM 0 H GLU A 340 5.402 8.245 9.346 1.00 0.00 H new ATOM 0 HA GLU A 340 5.436 5.447 9.980 1.00 0.00 H new ATOM 0 HB2 GLU A 340 3.604 6.962 10.530 1.00 0.00 H new ATOM 0 HB3 GLU A 340 3.373 7.356 8.838 1.00 0.00 H new ATOM 0 HG2 GLU A 340 1.613 5.902 9.333 1.00 0.00 H new ATOM 0 HG3 GLU A 340 2.768 4.889 8.490 1.00 0.00 H new ATOM 824 N ALA A 341 5.192 6.238 6.816 1.00 0.00 N ATOM 825 CA ALA A 341 5.191 5.794 5.435 1.00 0.00 C ATOM 826 C ALA A 341 6.527 5.248 4.922 1.00 0.00 C ATOM 827 O ALA A 341 6.576 4.380 4.057 1.00 0.00 O ATOM 828 CB ALA A 341 4.835 7.046 4.677 1.00 0.00 C ATOM 0 H ALA A 341 5.156 7.254 6.899 1.00 0.00 H new ATOM 0 HA ALA A 341 4.507 4.955 5.313 1.00 0.00 H new ATOM 0 HB1 ALA A 341 4.804 6.829 3.609 1.00 0.00 H new ATOM 0 HB2 ALA A 341 3.858 7.403 5.003 1.00 0.00 H new ATOM 0 HB3 ALA A 341 5.585 7.813 4.870 1.00 0.00 H new ATOM 834 N VAL A 342 7.629 5.755 5.456 1.00 0.00 N ATOM 835 CA VAL A 342 9.000 5.336 5.176 1.00 0.00 C ATOM 836 C VAL A 342 9.351 4.093 5.976 1.00 0.00 C ATOM 837 O VAL A 342 10.096 3.227 5.518 1.00 0.00 O ATOM 838 CB VAL A 342 9.962 6.475 5.506 1.00 0.00 C ATOM 839 CG1 VAL A 342 10.253 6.661 6.976 1.00 0.00 C ATOM 840 CG2 VAL A 342 11.291 6.345 4.814 1.00 0.00 C ATOM 0 H VAL A 342 7.591 6.514 6.136 1.00 0.00 H new ATOM 0 HA VAL A 342 9.088 5.093 4.117 1.00 0.00 H new ATOM 0 HB VAL A 342 9.415 7.344 5.142 1.00 0.00 H new ATOM 0 HG11 VAL A 342 10.945 7.493 7.107 1.00 0.00 H new ATOM 0 HG12 VAL A 342 9.325 6.874 7.507 1.00 0.00 H new ATOM 0 HG13 VAL A 342 10.699 5.751 7.377 1.00 0.00 H new ATOM 0 HG21 VAL A 342 11.929 7.185 5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 342 11.768 5.413 5.115 1.00 0.00 H new ATOM 0 HG23 VAL A 342 11.140 6.343 3.734 1.00 0.00 H new ATOM 850 N ALA A 343 8.715 3.937 7.135 1.00 0.00 N ATOM 851 CA ALA A 343 8.699 2.636 7.777 1.00 0.00 C ATOM 852 C ALA A 343 7.896 1.627 6.938 1.00 0.00 C ATOM 853 O ALA A 343 8.256 0.455 6.901 1.00 0.00 O ATOM 854 CB ALA A 343 8.183 2.776 9.202 1.00 0.00 C ATOM 0 H ALA A 343 8.219 4.676 7.633 1.00 0.00 H new ATOM 0 HA ALA A 343 9.712 2.239 7.838 1.00 0.00 H new ATOM 0 HB1 ALA A 343 8.172 1.798 9.683 1.00 0.00 H new ATOM 0 HB2 ALA A 343 8.835 3.447 9.761 1.00 0.00 H new ATOM 0 HB3 ALA A 343 7.172 3.183 9.185 1.00 0.00 H new ATOM 860 N ALA A 344 6.904 2.085 6.161 1.00 0.00 N ATOM 861 CA ALA A 344 6.257 1.317 5.092 1.00 0.00 C ATOM 862 C ALA A 344 7.134 1.117 3.834 1.00 0.00 C ATOM 863 O ALA A 344 6.943 0.156 3.101 1.00 0.00 O ATOM 864 CB ALA A 344 4.917 1.967 4.721 1.00 0.00 C ATOM 0 H ALA A 344 6.521 3.025 6.263 1.00 0.00 H new ATOM 0 HA ALA A 344 6.092 0.316 5.491 1.00 0.00 H new ATOM 0 HB1 ALA A 344 4.441 1.392 3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 344 4.267 1.985 5.596 1.00 0.00 H new ATOM 0 HB3 ALA A 344 5.090 2.987 4.377 1.00 0.00 H new ATOM 870 N MET A 345 8.138 1.961 3.587 1.00 0.00 N ATOM 871 CA MET A 345 9.120 1.779 2.497 1.00 0.00 C ATOM 872 C MET A 345 10.132 0.662 2.768 1.00 0.00 C ATOM 873 O MET A 345 10.519 -0.065 1.856 1.00 0.00 O ATOM 874 CB MET A 345 9.871 3.092 2.231 1.00 0.00 C ATOM 875 CG MET A 345 9.053 4.188 1.533 1.00 0.00 C ATOM 876 SD MET A 345 8.218 3.702 0.007 1.00 0.00 S ATOM 877 CE MET A 345 6.662 2.991 0.618 1.00 0.00 C ATOM 0 H MET A 345 8.301 2.802 4.140 1.00 0.00 H new ATOM 0 HA MET A 345 8.545 1.484 1.619 1.00 0.00 H new ATOM 0 HB2 MET A 345 10.234 3.483 3.182 1.00 0.00 H new ATOM 0 HB3 MET A 345 10.748 2.873 1.621 1.00 0.00 H new ATOM 0 HG2 MET A 345 8.303 4.555 2.233 1.00 0.00 H new ATOM 0 HG3 MET A 345 9.717 5.023 1.310 1.00 0.00 H new ATOM 0 HE1 MET A 345 5.885 3.112 -0.137 1.00 0.00 H new ATOM 0 HE2 MET A 345 6.804 1.930 0.826 1.00 0.00 H new ATOM 0 HE3 MET A 345 6.362 3.503 1.532 1.00 0.00 H new ATOM 887 N SER A 346 10.500 0.484 4.038 1.00 0.00 N ATOM 888 CA SER A 346 11.559 -0.382 4.601 1.00 0.00 C ATOM 889 C SER A 346 11.464 -1.922 4.363 1.00 0.00 C ATOM 890 O SER A 346 12.054 -2.717 5.095 1.00 0.00 O ATOM 891 CB SER A 346 11.584 -0.008 6.088 1.00 0.00 C ATOM 892 OG SER A 346 12.712 -0.519 6.778 1.00 0.00 O ATOM 0 H SER A 346 10.019 0.991 4.781 1.00 0.00 H new ATOM 0 HA SER A 346 12.489 -0.190 4.067 1.00 0.00 H new ATOM 0 HB2 SER A 346 11.571 1.078 6.182 1.00 0.00 H new ATOM 0 HB3 SER A 346 10.677 -0.380 6.564 1.00 0.00 H new ATOM 0 HG SER A 346 12.899 -1.430 6.470 1.00 0.00 H new ATOM 898 N LYS A 347 10.677 -2.358 3.371 1.00 0.00 N ATOM 899 CA LYS A 347 10.503 -3.749 2.868 1.00 0.00 C ATOM 900 C LYS A 347 10.413 -3.882 1.343 1.00 0.00 C ATOM 901 O LYS A 347 10.642 -4.974 0.839 1.00 0.00 O ATOM 902 CB LYS A 347 9.317 -4.481 3.528 1.00 0.00 C ATOM 903 CG LYS A 347 7.942 -4.111 2.955 1.00 0.00 C ATOM 904 CD LYS A 347 7.557 -2.669 3.209 1.00 0.00 C ATOM 905 CE LYS A 347 7.300 -2.399 4.693 1.00 0.00 C ATOM 906 NZ LYS A 347 8.417 -1.778 5.425 1.00 0.00 N ATOM 0 H LYS A 347 10.094 -1.703 2.850 1.00 0.00 H new ATOM 0 HA LYS A 347 11.431 -4.236 3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 347 9.464 -5.556 3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 347 9.322 -4.264 4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 347 7.942 -4.296 1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 347 7.186 -4.764 3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 347 8.352 -2.013 2.853 1.00 0.00 H new ATOM 0 HD3 LYS A 347 6.662 -2.426 2.636 1.00 0.00 H new ATOM 0 HE2 LYS A 347 6.426 -1.753 4.781 1.00 0.00 H new ATOM 0 HE3 LYS A 347 7.050 -3.342 5.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 8.041 -1.165 6.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 9.010 -2.520 5.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 8.989 -1.210 4.768 1.00 0.00 H new ATOM 920 N ASP A 348 10.011 -2.801 0.671 1.00 0.00 N ATOM 921 CA ASP A 348 9.345 -2.607 -0.630 1.00 0.00 C ATOM 922 C ASP A 348 8.649 -3.746 -1.414 1.00 0.00 C ATOM 923 O ASP A 348 7.972 -3.409 -2.379 1.00 0.00 O ATOM 924 CB ASP A 348 10.260 -1.781 -1.555 1.00 0.00 C ATOM 925 CG ASP A 348 11.182 -2.617 -2.458 1.00 0.00 C ATOM 926 OD1 ASP A 348 11.544 -3.766 -2.112 1.00 0.00 O ATOM 927 OD2 ASP A 348 11.560 -2.130 -3.546 1.00 0.00 O ATOM 0 H ASP A 348 10.171 -1.888 1.097 1.00 0.00 H new ATOM 0 HA ASP A 348 8.440 -2.104 -0.289 1.00 0.00 H new ATOM 0 HB2 ASP A 348 9.638 -1.144 -2.184 1.00 0.00 H new ATOM 0 HB3 ASP A 348 10.874 -1.122 -0.942 1.00 0.00 H new ATOM 932 N ARG A 349 8.736 -5.036 -1.056 1.00 0.00 N ATOM 933 CA ARG A 349 8.120 -6.158 -1.779 1.00 0.00 C ATOM 934 C ARG A 349 6.597 -5.996 -1.686 1.00 0.00 C ATOM 935 O ARG A 349 5.959 -5.501 -2.607 1.00 0.00 O ATOM 936 CB ARG A 349 8.694 -7.511 -1.294 1.00 0.00 C ATOM 937 CG ARG A 349 10.194 -7.719 -1.478 1.00 0.00 C ATOM 938 CD ARG A 349 10.610 -7.687 -2.947 1.00 0.00 C ATOM 939 NE ARG A 349 11.204 -6.385 -3.311 1.00 0.00 N ATOM 940 CZ ARG A 349 11.991 -6.126 -4.336 1.00 0.00 C ATOM 941 NH1 ARG A 349 12.245 -6.997 -5.273 1.00 0.00 N ATOM 942 NH2 ARG A 349 12.553 -4.961 -4.415 1.00 0.00 N ATOM 0 H ARG A 349 9.253 -5.336 -0.230 1.00 0.00 H new ATOM 0 HA ARG A 349 8.368 -6.151 -2.840 1.00 0.00 H new ATOM 0 HB2 ARG A 349 8.462 -7.620 -0.235 1.00 0.00 H new ATOM 0 HB3 ARG A 349 8.172 -8.311 -1.819 1.00 0.00 H new ATOM 0 HG2 ARG A 349 10.735 -6.945 -0.933 1.00 0.00 H new ATOM 0 HG3 ARG A 349 10.482 -8.676 -1.042 1.00 0.00 H new ATOM 0 HD2 ARG A 349 11.329 -8.483 -3.140 1.00 0.00 H new ATOM 0 HD3 ARG A 349 9.742 -7.881 -3.577 1.00 0.00 H new ATOM 0 HE ARG A 349 10.980 -5.598 -2.701 1.00 0.00 H new ATOM 0 HH11 ARG A 349 11.827 -7.927 -5.232 1.00 0.00 H new ATOM 0 HH12 ARG A 349 12.861 -6.749 -6.047 1.00 0.00 H new ATOM 0 HH21 ARG A 349 12.383 -4.263 -3.691 1.00 0.00 H new ATOM 0 HH22 ARG A 349 13.165 -4.742 -5.201 1.00 0.00 H new ATOM 956 N ALA A 350 5.961 -6.192 -0.545 1.00 0.00 N ATOM 957 CA ALA A 350 6.012 -7.397 0.292 1.00 0.00 C ATOM 958 C ALA A 350 4.642 -8.071 0.473 1.00 0.00 C ATOM 959 O ALA A 350 4.451 -8.938 1.325 1.00 0.00 O ATOM 960 CB ALA A 350 6.732 -7.058 1.605 1.00 0.00 C ATOM 0 H ALA A 350 5.355 -5.475 -0.146 1.00 0.00 H new ATOM 0 HA ALA A 350 6.593 -8.164 -0.220 1.00 0.00 H new ATOM 0 HB1 ALA A 350 6.776 -7.946 2.236 1.00 0.00 H new ATOM 0 HB2 ALA A 350 7.744 -6.717 1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 350 6.188 -6.270 2.126 1.00 0.00 H new ATOM 966 N ASN A 351 3.705 -7.685 -0.387 1.00 0.00 N ATOM 967 CA ASN A 351 2.330 -8.134 -0.439 1.00 0.00 C ATOM 968 C ASN A 351 2.182 -9.586 -0.889 1.00 0.00 C ATOM 969 O ASN A 351 1.630 -10.438 -0.190 1.00 0.00 O ATOM 970 CB ASN A 351 1.686 -7.199 -1.475 1.00 0.00 C ATOM 971 CG ASN A 351 0.174 -7.358 -1.585 1.00 0.00 C ATOM 972 OD1 ASN A 351 -0.387 -8.443 -1.612 1.00 0.00 O ATOM 973 ND2 ASN A 351 -0.553 -6.273 -1.641 1.00 0.00 N ATOM 0 H ASN A 351 3.908 -7.001 -1.116 1.00 0.00 H new ATOM 0 HA ASN A 351 1.870 -8.100 0.549 1.00 0.00 H new ATOM 0 HB2 ASN A 351 1.916 -6.166 -1.213 1.00 0.00 H new ATOM 0 HB3 ASN A 351 2.135 -7.387 -2.450 1.00 0.00 H new ATOM 0 HD21 ASN A 351 -1.569 -6.342 -1.706 1.00 0.00 H new ATOM 0 HD22 ASN A 351 -0.105 -5.357 -1.620 1.00 0.00 H new ATOM 980 N MET A 352 2.597 -9.828 -2.130 1.00 0.00 N ATOM 981 CA MET A 352 1.744 -10.639 -3.015 1.00 0.00 C ATOM 982 C MET A 352 2.236 -12.075 -3.082 1.00 0.00 C ATOM 983 O MET A 352 3.055 -12.451 -3.913 1.00 0.00 O ATOM 984 CB MET A 352 1.321 -9.947 -4.325 1.00 0.00 C ATOM 985 CG MET A 352 2.323 -9.347 -5.312 1.00 0.00 C ATOM 986 SD MET A 352 3.288 -10.469 -6.357 1.00 0.00 S ATOM 987 CE MET A 352 1.981 -11.180 -7.393 1.00 0.00 C ATOM 0 H MET A 352 3.472 -9.497 -2.537 1.00 0.00 H new ATOM 0 HA MET A 352 0.759 -10.725 -2.555 1.00 0.00 H new ATOM 0 HB2 MET A 352 0.735 -10.676 -4.884 1.00 0.00 H new ATOM 0 HB3 MET A 352 0.643 -9.141 -4.044 1.00 0.00 H new ATOM 0 HG2 MET A 352 1.776 -8.671 -5.969 1.00 0.00 H new ATOM 0 HG3 MET A 352 3.026 -8.739 -4.742 1.00 0.00 H new ATOM 0 HE1 MET A 352 2.431 -11.724 -8.224 1.00 0.00 H new ATOM 0 HE2 MET A 352 1.375 -11.863 -6.797 1.00 0.00 H new ATOM 0 HE3 MET A 352 1.350 -10.381 -7.782 1.00 0.00 H new ATOM 997 N GLN A 353 1.761 -12.862 -2.112 1.00 0.00 N ATOM 998 CA GLN A 353 2.280 -14.196 -1.786 1.00 0.00 C ATOM 999 C GLN A 353 3.762 -14.119 -1.337 1.00 0.00 C ATOM 1000 O GLN A 353 4.560 -15.014 -1.623 1.00 0.00 O ATOM 1001 CB GLN A 353 1.988 -15.181 -2.948 1.00 0.00 C ATOM 1002 CG GLN A 353 0.681 -14.938 -3.742 1.00 0.00 C ATOM 1003 CD GLN A 353 -0.604 -14.891 -2.909 1.00 0.00 C ATOM 1004 OE1 GLN A 353 -0.668 -15.264 -1.744 1.00 0.00 O ATOM 1005 NE2 GLN A 353 -1.691 -14.411 -3.479 1.00 0.00 N ATOM 0 H GLN A 353 0.983 -12.582 -1.515 1.00 0.00 H new ATOM 0 HA GLN A 353 1.756 -14.605 -0.923 1.00 0.00 H new ATOM 0 HB2 GLN A 353 2.824 -15.144 -3.646 1.00 0.00 H new ATOM 0 HB3 GLN A 353 1.958 -16.191 -2.540 1.00 0.00 H new ATOM 0 HG2 GLN A 353 0.776 -13.996 -4.283 1.00 0.00 H new ATOM 0 HG3 GLN A 353 0.579 -15.726 -4.489 1.00 0.00 H new ATOM 0 HE21 GLN A 353 -1.661 -14.094 -4.448 1.00 0.00 H new ATOM 0 HE22 GLN A 353 -2.562 -14.356 -2.951 1.00 0.00 H new ATOM 1014 N HIS A 354 4.120 -13.001 -0.681 1.00 0.00 N ATOM 1015 CA HIS A 354 5.452 -12.376 -0.600 1.00 0.00 C ATOM 1016 C HIS A 354 6.193 -12.302 -1.952 1.00 0.00 C ATOM 1017 O HIS A 354 6.692 -13.306 -2.457 1.00 0.00 O ATOM 1018 CB HIS A 354 6.317 -12.983 0.510 1.00 0.00 C ATOM 1019 CG HIS A 354 7.635 -12.252 0.631 1.00 0.00 C ATOM 1020 ND1 HIS A 354 8.878 -12.754 0.314 1.00 0.00 N ATOM 1021 CD2 HIS A 354 7.808 -10.925 0.928 1.00 0.00 C ATOM 1022 CE1 HIS A 354 9.777 -11.760 0.426 1.00 0.00 C ATOM 1023 NE2 HIS A 354 9.169 -10.620 0.799 1.00 0.00 N ATOM 0 H HIS A 354 3.430 -12.469 -0.151 1.00 0.00 H new ATOM 0 HA HIS A 354 5.263 -11.339 -0.323 1.00 0.00 H new ATOM 0 HB2 HIS A 354 5.783 -12.936 1.459 1.00 0.00 H new ATOM 0 HB3 HIS A 354 6.500 -14.037 0.299 1.00 0.00 H new ATOM 0 HD2 HIS A 354 7.029 -10.233 1.213 1.00 0.00 H new ATOM 0 HE1 HIS A 354 10.836 -11.863 0.243 1.00 0.00 H new ATOM 0 HE2 HIS A 354 9.611 -9.714 0.957 1.00 0.00 H new ATOM 1031 N ARG A 355 6.247 -11.082 -2.505 1.00 0.00 N ATOM 1032 CA ARG A 355 6.543 -10.613 -3.878 1.00 0.00 C ATOM 1033 C ARG A 355 5.825 -9.258 -4.039 1.00 0.00 C ATOM 1034 O ARG A 355 5.359 -8.694 -3.041 1.00 0.00 O ATOM 1035 CB ARG A 355 6.230 -11.663 -4.975 1.00 0.00 C ATOM 1036 CG ARG A 355 7.427 -12.565 -5.331 1.00 0.00 C ATOM 1037 CD ARG A 355 6.982 -13.929 -5.881 1.00 0.00 C ATOM 1038 NE ARG A 355 6.353 -14.748 -4.828 1.00 0.00 N ATOM 1039 CZ ARG A 355 5.868 -15.969 -4.917 1.00 0.00 C ATOM 1040 NH1 ARG A 355 5.902 -16.653 -6.027 1.00 0.00 N ATOM 1041 NH2 ARG A 355 5.337 -16.534 -3.874 1.00 0.00 N ATOM 0 H ARG A 355 6.055 -10.275 -1.911 1.00 0.00 H new ATOM 0 HA ARG A 355 7.614 -10.471 -4.020 1.00 0.00 H new ATOM 0 HB2 ARG A 355 5.402 -12.289 -4.641 1.00 0.00 H new ATOM 0 HB3 ARG A 355 5.896 -11.146 -5.875 1.00 0.00 H new ATOM 0 HG2 ARG A 355 8.051 -12.063 -6.070 1.00 0.00 H new ATOM 0 HG3 ARG A 355 8.043 -12.716 -4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 355 6.278 -13.782 -6.700 1.00 0.00 H new ATOM 0 HD3 ARG A 355 7.843 -14.457 -6.291 1.00 0.00 H new ATOM 0 HE ARG A 355 6.285 -14.311 -3.909 1.00 0.00 H new ATOM 0 HH11 ARG A 355 6.315 -16.244 -6.865 1.00 0.00 H new ATOM 0 HH12 ARG A 355 5.516 -17.597 -6.057 1.00 0.00 H new ATOM 0 HH21 ARG A 355 5.296 -16.032 -2.987 1.00 0.00 H new ATOM 0 HH22 ARG A 355 4.961 -17.480 -3.942 1.00 0.00 H new ATOM 1055 N TYR A 356 5.837 -8.653 -5.222 1.00 0.00 N ATOM 1056 CA TYR A 356 6.323 -7.283 -5.332 1.00 0.00 C ATOM 1057 C TYR A 356 5.374 -6.320 -6.039 1.00 0.00 C ATOM 1058 O TYR A 356 4.805 -6.592 -7.098 1.00 0.00 O ATOM 1059 CB TYR A 356 7.701 -7.322 -6.018 1.00 0.00 C ATOM 1060 CG TYR A 356 8.513 -6.036 -6.134 1.00 0.00 C ATOM 1061 CD1 TYR A 356 8.400 -4.979 -5.205 1.00 0.00 C ATOM 1062 CD2 TYR A 356 9.468 -5.939 -7.168 1.00 0.00 C ATOM 1063 CE1 TYR A 356 9.268 -3.875 -5.277 1.00 0.00 C ATOM 1064 CE2 TYR A 356 10.325 -4.824 -7.253 1.00 0.00 C ATOM 1065 CZ TYR A 356 10.246 -3.799 -6.287 1.00 0.00 C ATOM 1066 OH TYR A 356 11.144 -2.777 -6.302 1.00 0.00 O ATOM 0 H TYR A 356 5.525 -9.076 -6.096 1.00 0.00 H new ATOM 0 HA TYR A 356 6.396 -6.879 -4.322 1.00 0.00 H new ATOM 0 HB2 TYR A 356 8.313 -8.049 -5.483 1.00 0.00 H new ATOM 0 HB3 TYR A 356 7.554 -7.709 -7.026 1.00 0.00 H new ATOM 0 HD1 TYR A 356 7.643 -5.018 -4.435 1.00 0.00 H new ATOM 0 HD2 TYR A 356 9.543 -6.728 -7.902 1.00 0.00 H new ATOM 0 HE1 TYR A 356 9.184 -3.079 -4.552 1.00 0.00 H new ATOM 0 HE2 TYR A 356 11.042 -4.754 -8.057 1.00 0.00 H new ATOM 0 HH TYR A 356 11.337 -2.498 -5.383 1.00 0.00 H new ATOM 1076 N ILE A 357 5.276 -5.160 -5.403 1.00 0.00 N ATOM 1077 CA ILE A 357 4.425 -4.014 -5.661 1.00 0.00 C ATOM 1078 C ILE A 357 5.342 -2.782 -5.661 1.00 0.00 C ATOM 1079 O ILE A 357 6.292 -2.705 -4.884 1.00 0.00 O ATOM 1080 CB ILE A 357 3.426 -3.919 -4.484 1.00 0.00 C ATOM 1081 CG1 ILE A 357 2.685 -5.241 -4.163 1.00 0.00 C ATOM 1082 CG2 ILE A 357 2.422 -2.771 -4.658 1.00 0.00 C ATOM 1083 CD1 ILE A 357 1.844 -5.788 -5.306 1.00 0.00 C ATOM 0 H ILE A 357 5.869 -4.983 -4.592 1.00 0.00 H new ATOM 0 HA ILE A 357 3.884 -4.088 -6.605 1.00 0.00 H new ATOM 0 HB ILE A 357 4.056 -3.703 -3.621 1.00 0.00 H new ATOM 0 HG12 ILE A 357 3.419 -5.994 -3.877 1.00 0.00 H new ATOM 0 HG13 ILE A 357 2.040 -5.080 -3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 357 1.744 -2.748 -3.805 1.00 0.00 H new ATOM 0 HG22 ILE A 357 2.959 -1.824 -4.720 1.00 0.00 H new ATOM 0 HG23 ILE A 357 1.849 -2.924 -5.573 1.00 0.00 H new ATOM 0 HD11 ILE A 357 1.362 -6.714 -4.992 1.00 0.00 H new ATOM 0 HD12 ILE A 357 1.083 -5.057 -5.580 1.00 0.00 H new ATOM 0 HD13 ILE A 357 2.484 -5.985 -6.166 1.00 0.00 H new ATOM 1095 N GLU A 358 5.051 -1.778 -6.477 1.00 0.00 N ATOM 1096 CA GLU A 358 5.590 -0.426 -6.269 1.00 0.00 C ATOM 1097 C GLU A 358 5.115 0.067 -4.909 1.00 0.00 C ATOM 1098 O GLU A 358 3.948 0.413 -4.753 1.00 0.00 O ATOM 1099 CB GLU A 358 5.162 0.518 -7.412 1.00 0.00 C ATOM 1100 CG GLU A 358 5.422 -0.029 -8.826 1.00 0.00 C ATOM 1101 CD GLU A 358 5.230 1.058 -9.905 1.00 0.00 C ATOM 1102 OE1 GLU A 358 6.003 2.044 -9.950 1.00 0.00 O ATOM 1103 OE2 GLU A 358 4.293 0.962 -10.730 1.00 0.00 O ATOM 0 H GLU A 358 4.445 -1.867 -7.292 1.00 0.00 H new ATOM 0 HA GLU A 358 6.680 -0.444 -6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 358 4.098 0.732 -7.310 1.00 0.00 H new ATOM 0 HB3 GLU A 358 5.690 1.465 -7.300 1.00 0.00 H new ATOM 0 HG2 GLU A 358 6.437 -0.422 -8.883 1.00 0.00 H new ATOM 0 HG3 GLU A 358 4.746 -0.861 -9.024 1.00 0.00 H new ATOM 1110 N LEU A 359 6.015 0.084 -3.924 1.00 0.00 N ATOM 1111 CA LEU A 359 5.820 0.745 -2.651 1.00 0.00 C ATOM 1112 C LEU A 359 6.687 1.999 -2.587 1.00 0.00 C ATOM 1113 O LEU A 359 7.916 1.902 -2.630 1.00 0.00 O ATOM 1114 CB LEU A 359 6.199 -0.241 -1.541 1.00 0.00 C ATOM 1115 CG LEU A 359 5.138 -1.266 -1.096 1.00 0.00 C ATOM 1116 CD1 LEU A 359 5.691 -1.879 0.181 1.00 0.00 C ATOM 1117 CD2 LEU A 359 3.777 -0.595 -0.946 1.00 0.00 C ATOM 0 H LEU A 359 6.922 -0.377 -4.001 1.00 0.00 H new ATOM 0 HA LEU A 359 4.781 1.049 -2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 359 7.080 -0.792 -1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 359 6.493 0.338 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 359 4.959 -2.055 -1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 359 4.990 -2.622 0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 359 6.648 -2.357 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 359 5.833 -1.098 0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 359 3.040 -1.334 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 359 3.841 0.195 -0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 359 3.476 -0.166 -1.902 1.00 0.00 H new ATOM 1129 N PHE A 360 6.028 3.167 -2.567 1.00 0.00 N ATOM 1130 CA PHE A 360 6.690 4.426 -2.915 1.00 0.00 C ATOM 1131 C PHE A 360 5.997 5.692 -2.430 1.00 0.00 C ATOM 1132 O PHE A 360 4.791 5.890 -2.580 1.00 0.00 O ATOM 1133 CB PHE A 360 6.900 4.421 -4.420 1.00 0.00 C ATOM 1134 CG PHE A 360 5.715 4.457 -5.348 1.00 0.00 C ATOM 1135 CD1 PHE A 360 4.798 3.409 -5.290 1.00 0.00 C ATOM 1136 CD2 PHE A 360 5.569 5.449 -6.332 1.00 0.00 C ATOM 1137 CE1 PHE A 360 3.720 3.340 -6.153 1.00 0.00 C ATOM 1138 CE2 PHE A 360 4.504 5.360 -7.248 1.00 0.00 C ATOM 1139 CZ PHE A 360 3.584 4.295 -7.167 1.00 0.00 C ATOM 0 H PHE A 360 5.044 3.263 -2.315 1.00 0.00 H new ATOM 0 HA PHE A 360 7.639 4.465 -2.379 1.00 0.00 H new ATOM 0 HB2 PHE A 360 7.527 5.279 -4.662 1.00 0.00 H new ATOM 0 HB3 PHE A 360 7.475 3.528 -4.664 1.00 0.00 H new ATOM 0 HD1 PHE A 360 4.933 2.632 -4.553 1.00 0.00 H new ATOM 0 HD2 PHE A 360 6.267 6.272 -6.385 1.00 0.00 H new ATOM 0 HE1 PHE A 360 2.987 2.554 -6.045 1.00 0.00 H new ATOM 0 HE2 PHE A 360 4.391 6.111 -8.016 1.00 0.00 H new ATOM 0 HZ PHE A 360 2.779 4.217 -7.883 1.00 0.00 H new ATOM 1149 N LEU A 361 6.809 6.557 -1.829 1.00 0.00 N ATOM 1150 CA LEU A 361 6.393 7.816 -1.226 1.00 0.00 C ATOM 1151 C LEU A 361 6.073 8.853 -2.289 1.00 0.00 C ATOM 1152 O LEU A 361 6.610 8.856 -3.400 1.00 0.00 O ATOM 1153 CB LEU A 361 7.524 8.366 -0.331 1.00 0.00 C ATOM 1154 CG LEU A 361 7.895 7.435 0.814 1.00 0.00 C ATOM 1155 CD1 LEU A 361 9.255 7.752 1.448 1.00 0.00 C ATOM 1156 CD2 LEU A 361 6.867 7.522 1.924 1.00 0.00 C ATOM 0 H LEU A 361 7.812 6.392 -1.746 1.00 0.00 H new ATOM 0 HA LEU A 361 5.498 7.623 -0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 361 8.407 8.546 -0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 361 7.218 9.329 0.078 1.00 0.00 H new ATOM 0 HG LEU A 361 7.935 6.441 0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 361 9.452 7.048 2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 361 10.037 7.667 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 361 9.244 8.767 1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 361 7.149 6.850 2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 361 6.823 8.544 2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 361 5.889 7.235 1.538 1.00 0.00 H new ATOM 1168 N ASN A 362 5.219 9.776 -1.878 1.00 0.00 N ATOM 1169 CA ASN A 362 4.765 10.890 -2.691 1.00 0.00 C ATOM 1170 C ASN A 362 4.520 12.154 -1.847 1.00 0.00 C ATOM 1171 O ASN A 362 3.968 13.138 -2.347 1.00 0.00 O ATOM 1172 CB ASN A 362 3.535 10.372 -3.449 1.00 0.00 C ATOM 1173 CG ASN A 362 2.350 10.030 -2.562 1.00 0.00 C ATOM 1174 OD1 ASN A 362 1.789 10.870 -1.877 1.00 0.00 O ATOM 1175 ND2 ASN A 362 1.938 8.784 -2.566 1.00 0.00 N ATOM 0 H ASN A 362 4.812 9.770 -0.943 1.00 0.00 H new ATOM 0 HA ASN A 362 5.519 11.220 -3.406 1.00 0.00 H new ATOM 0 HB2 ASN A 362 3.226 11.125 -4.173 1.00 0.00 H new ATOM 0 HB3 ASN A 362 3.819 9.484 -4.014 1.00 0.00 H new ATOM 0 HD21 ASN A 362 1.141 8.509 -1.992 1.00 0.00 H new ATOM 0 HD22 ASN A 362 2.415 8.091 -3.143 1.00 0.00 H new ATOM 1182 N SER A 363 4.922 12.118 -0.566 1.00 0.00 N ATOM 1183 CA SER A 363 4.376 13.034 0.455 1.00 0.00 C ATOM 1184 C SER A 363 5.399 13.570 1.473 1.00 0.00 C ATOM 1185 O SER A 363 6.583 13.227 1.439 1.00 0.00 O ATOM 1186 CB SER A 363 3.238 12.303 1.175 1.00 0.00 C ATOM 1187 OG SER A 363 2.012 12.436 0.490 1.00 0.00 O ATOM 0 H SER A 363 5.622 11.466 -0.211 1.00 0.00 H new ATOM 0 HA SER A 363 4.029 13.925 -0.068 1.00 0.00 H new ATOM 0 HB2 SER A 363 3.488 11.246 1.270 1.00 0.00 H new ATOM 0 HB3 SER A 363 3.134 12.698 2.185 1.00 0.00 H new ATOM 0 HG SER A 363 2.026 11.880 -0.317 1.00 0.00 H new ATOM 1193 N THR A 364 4.920 14.401 2.407 1.00 0.00 N ATOM 1194 CA THR A 364 5.694 15.142 3.429 1.00 0.00 C ATOM 1195 C THR A 364 5.241 14.750 4.848 1.00 0.00 C ATOM 1196 O THR A 364 4.273 14.010 5.019 1.00 0.00 O ATOM 1197 CB THR A 364 5.529 16.664 3.198 1.00 0.00 C ATOM 1198 OG1 THR A 364 5.622 16.984 1.821 1.00 0.00 O ATOM 1199 CG2 THR A 364 6.580 17.532 3.900 1.00 0.00 C ATOM 0 H THR A 364 3.920 14.590 2.480 1.00 0.00 H new ATOM 0 HA THR A 364 6.748 14.882 3.336 1.00 0.00 H new ATOM 0 HB THR A 364 4.546 16.883 3.616 1.00 0.00 H new ATOM 0 HG1 THR A 364 5.513 17.951 1.702 1.00 0.00 H new ATOM 0 HG21 THR A 364 6.388 18.583 3.683 1.00 0.00 H new ATOM 0 HG22 THR A 364 6.527 17.368 4.976 1.00 0.00 H new ATOM 0 HG23 THR A 364 7.573 17.263 3.540 1.00 0.00 H new ATOM 1207 N THR A 365 5.943 15.194 5.894 1.00 0.00 N ATOM 1208 CA THR A 365 5.640 14.947 7.320 1.00 0.00 C ATOM 1209 C THR A 365 4.336 15.609 7.813 1.00 0.00 C ATOM 1210 O THR A 365 4.355 16.566 8.592 1.00 0.00 O ATOM 1211 CB THR A 365 6.840 15.361 8.205 1.00 0.00 C ATOM 1212 OG1 THR A 365 7.198 16.706 7.959 1.00 0.00 O ATOM 1213 CG2 THR A 365 8.100 14.532 7.966 1.00 0.00 C ATOM 0 H THR A 365 6.780 15.764 5.771 1.00 0.00 H new ATOM 0 HA THR A 365 5.472 13.874 7.411 1.00 0.00 H new ATOM 0 HB THR A 365 6.497 15.201 9.227 1.00 0.00 H new ATOM 0 HG1 THR A 365 6.412 17.280 8.072 1.00 0.00 H new ATOM 0 HG21 THR A 365 8.896 14.882 8.623 1.00 0.00 H new ATOM 0 HG22 THR A 365 7.891 13.483 8.177 1.00 0.00 H new ATOM 0 HG23 THR A 365 8.414 14.638 6.928 1.00 0.00 H new