USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 774 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 450 THR OG1 : rot -28:sc= 0.548 USER MOD Set 1.2: A 461 THR OG1 : rot -167:sc= -0.195 USER MOD Set 2.1: A 437 THR OG1 : rot -81:sc= 0.0454 USER MOD Set 2.2: A 438 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 379 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 464 CYS SG : rot 14:sc= -0.115 USER MOD Single : A 375 THR OG1 : rot -114:sc= -1.97! USER MOD Single : A 381 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 382 ASN : amide:sc= -0.179 K(o=-0.18,f=-1.7!) USER MOD Single : A 383 MET CE :methyl 173:sc= 0 (180deg=-0.129) USER MOD Single : A 395 TYR OH : rot 0:sc= 1.26 USER MOD Single : A 406 CYS SG : rot 110:sc= -0.378 USER MOD Single : A 407 SER OG : rot -32:sc= 0.151 USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 409 TYR OH : rot 154:sc= -1.53! USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 414 SER OG : rot 180:sc= -0.0035 USER MOD Single : A 429 CYS SG : rot 140:sc= -5.48! USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 442 CYS SG : rot 153:sc= -1.17 USER MOD Single : A 443 GLN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 444 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 446 MET CE :methyl 162:sc= 0 (180deg=-0.191) USER MOD Single : A 447 GLN : amide:sc= -0.0317 X(o=-0.032,f=-0.0055) USER MOD Single : A 453 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 463 TYR OH : rot -116:sc= -0.956 USER MOD Single : A 468 SER OG : rot 180:sc= 0 USER MOD Single : A 469 TYR OH : rot 180:sc= 0 USER MOD Single : A 470 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 26 N PRO A 374 0.036 13.209 -8.972 1.00 0.00 N ATOM 27 CA PRO A 374 0.270 13.456 -7.558 1.00 0.00 C ATOM 28 C PRO A 374 -0.981 13.959 -6.844 1.00 0.00 C ATOM 29 O PRO A 374 -1.455 15.062 -7.111 1.00 0.00 O ATOM 30 CB PRO A 374 1.349 14.536 -7.582 1.00 0.00 C ATOM 31 CG PRO A 374 1.170 15.263 -8.878 1.00 0.00 C ATOM 32 CD PRO A 374 0.294 14.414 -9.771 1.00 0.00 C ATOM 0 HA PRO A 374 0.555 12.554 -7.017 1.00 0.00 H new ATOM 0 HB2 PRO A 374 1.242 15.214 -6.735 1.00 0.00 H new ATOM 0 HB3 PRO A 374 2.344 14.096 -7.515 1.00 0.00 H new ATOM 0 HG2 PRO A 374 0.711 16.237 -8.709 1.00 0.00 H new ATOM 0 HG3 PRO A 374 2.135 15.443 -9.351 1.00 0.00 H new ATOM 0 HD2 PRO A 374 -0.632 14.929 -10.028 1.00 0.00 H new ATOM 0 HD3 PRO A 374 0.795 14.172 -10.708 1.00 0.00 H new ATOM 40 N THR A 375 -1.507 13.143 -5.937 1.00 0.00 N ATOM 41 CA THR A 375 -2.705 13.506 -5.190 1.00 0.00 C ATOM 42 C THR A 375 -2.362 13.981 -3.782 1.00 0.00 C ATOM 43 O THR A 375 -2.365 15.184 -3.516 1.00 0.00 O ATOM 44 CB THR A 375 -3.706 12.338 -5.108 1.00 0.00 C ATOM 45 OG1 THR A 375 -4.348 12.332 -3.832 1.00 0.00 O ATOM 46 CG2 THR A 375 -3.015 11.005 -5.340 1.00 0.00 C ATOM 0 H THR A 375 -1.123 12.228 -5.702 1.00 0.00 H new ATOM 0 HA THR A 375 -3.172 14.325 -5.736 1.00 0.00 H new ATOM 0 HB THR A 375 -4.452 12.478 -5.890 1.00 0.00 H new ATOM 0 HG1 THR A 375 -4.092 11.524 -3.341 1.00 0.00 H new ATOM 0 HG21 THR A 375 -3.747 10.200 -5.276 1.00 0.00 H new ATOM 0 HG22 THR A 375 -2.556 11.000 -6.329 1.00 0.00 H new ATOM 0 HG23 THR A 375 -2.246 10.857 -4.582 1.00 0.00 H new ATOM 54 N GLU A 376 -2.063 13.042 -2.878 1.00 0.00 N ATOM 55 CA GLU A 376 -1.722 13.402 -1.505 1.00 0.00 C ATOM 56 C GLU A 376 -1.313 12.189 -0.668 1.00 0.00 C ATOM 57 O GLU A 376 -0.314 12.243 0.049 1.00 0.00 O ATOM 58 CB GLU A 376 -2.896 14.116 -0.834 1.00 0.00 C ATOM 59 CG GLU A 376 -2.547 14.727 0.513 1.00 0.00 C ATOM 60 CD GLU A 376 -3.630 14.509 1.551 1.00 0.00 C ATOM 61 OE1 GLU A 376 -3.713 13.389 2.096 1.00 0.00 O ATOM 62 OE2 GLU A 376 -4.395 15.460 1.820 1.00 0.00 O ATOM 0 H GLU A 376 -2.051 12.041 -3.072 1.00 0.00 H new ATOM 0 HA GLU A 376 -0.864 14.072 -1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -3.259 14.901 -1.497 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.714 13.407 -0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -1.613 14.296 0.872 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -2.377 15.797 0.390 1.00 0.00 H new ATOM 69 N VAL A 377 -2.074 11.097 -0.754 1.00 0.00 N ATOM 70 CA VAL A 377 -1.756 9.906 0.036 1.00 0.00 C ATOM 71 C VAL A 377 -1.037 8.847 -0.797 1.00 0.00 C ATOM 72 O VAL A 377 -1.250 8.738 -2.005 1.00 0.00 O ATOM 73 CB VAL A 377 -3.012 9.297 0.701 1.00 0.00 C ATOM 74 CG1 VAL A 377 -3.803 10.373 1.429 1.00 0.00 C ATOM 75 CG2 VAL A 377 -3.891 8.588 -0.316 1.00 0.00 C ATOM 0 H VAL A 377 -2.898 11.011 -1.349 1.00 0.00 H new ATOM 0 HA VAL A 377 -1.082 10.236 0.826 1.00 0.00 H new ATOM 0 HB VAL A 377 -2.678 8.555 1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 377 -4.684 9.927 1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 377 -3.178 10.825 2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 377 -4.115 11.139 0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 377 -4.765 8.172 0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 377 -4.214 9.299 -1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 377 -3.326 7.784 -0.787 1.00 0.00 H new ATOM 85 N LEU A 378 -0.181 8.069 -0.136 1.00 0.00 N ATOM 86 CA LEU A 378 0.593 7.025 -0.800 1.00 0.00 C ATOM 87 C LEU A 378 -0.141 5.688 -0.784 1.00 0.00 C ATOM 88 O LEU A 378 -0.983 5.443 0.077 1.00 0.00 O ATOM 89 CB LEU A 378 1.954 6.872 -0.118 1.00 0.00 C ATOM 90 CG LEU A 378 3.165 6.973 -1.045 1.00 0.00 C ATOM 91 CD1 LEU A 378 4.364 7.527 -0.292 1.00 0.00 C ATOM 92 CD2 LEU A 378 3.493 5.615 -1.643 1.00 0.00 C ATOM 0 H LEU A 378 -0.006 8.144 0.866 1.00 0.00 H new ATOM 0 HA LEU A 378 0.732 7.323 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 378 2.043 7.637 0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 378 1.983 5.906 0.386 1.00 0.00 H new ATOM 0 HG LEU A 378 2.921 7.657 -1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 378 5.218 7.593 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 378 4.126 8.520 0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 378 4.608 6.866 0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 378 4.358 5.706 -2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 378 3.718 4.910 -0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 378 2.639 5.254 -2.215 1.00 0.00 H new ATOM 104 N CYS A 379 0.192 4.831 -1.745 1.00 0.00 N ATOM 105 CA CYS A 379 -0.421 3.510 -1.850 1.00 0.00 C ATOM 106 C CYS A 379 0.640 2.420 -1.734 1.00 0.00 C ATOM 107 O CYS A 379 1.728 2.540 -2.295 1.00 0.00 O ATOM 108 CB CYS A 379 -1.170 3.372 -3.176 1.00 0.00 C ATOM 109 SG CYS A 379 -2.261 1.933 -3.261 1.00 0.00 S ATOM 0 H CYS A 379 0.886 5.029 -2.465 1.00 0.00 H new ATOM 0 HA CYS A 379 -1.132 3.396 -1.032 1.00 0.00 H new ATOM 0 HB2 CYS A 379 -1.761 4.273 -3.343 1.00 0.00 H new ATOM 0 HB3 CYS A 379 -0.444 3.312 -3.987 1.00 0.00 H new ATOM 0 HG CYS A 379 -2.851 1.904 -4.419 1.00 0.00 H new ATOM 115 N LEU A 380 0.314 1.359 -1.004 1.00 0.00 N ATOM 116 CA LEU A 380 1.242 0.251 -0.812 1.00 0.00 C ATOM 117 C LEU A 380 0.564 -1.088 -1.087 1.00 0.00 C ATOM 118 O LEU A 380 -0.185 -1.599 -0.254 1.00 0.00 O ATOM 119 CB LEU A 380 1.802 0.275 0.613 1.00 0.00 C ATOM 120 CG LEU A 380 2.197 1.661 1.135 1.00 0.00 C ATOM 121 CD1 LEU A 380 2.434 1.617 2.636 1.00 0.00 C ATOM 122 CD2 LEU A 380 3.437 2.168 0.414 1.00 0.00 C ATOM 0 H LEU A 380 -0.585 1.243 -0.536 1.00 0.00 H new ATOM 0 HA LEU A 380 2.062 0.368 -1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 380 1.058 -0.151 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 380 2.677 -0.374 0.654 1.00 0.00 H new ATOM 0 HG LEU A 380 1.377 2.351 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 380 2.714 2.609 2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 380 1.522 1.296 3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 380 3.237 0.914 2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 380 3.703 3.153 0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 380 4.264 1.478 0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 380 3.234 2.237 -0.655 1.00 0.00 H new ATOM 134 N MET A 381 0.834 -1.652 -2.261 1.00 0.00 N ATOM 135 CA MET A 381 0.249 -2.931 -2.650 1.00 0.00 C ATOM 136 C MET A 381 1.320 -4.008 -2.785 1.00 0.00 C ATOM 137 O MET A 381 2.512 -3.707 -2.861 1.00 0.00 O ATOM 138 CB MET A 381 -0.512 -2.784 -3.969 1.00 0.00 C ATOM 139 CG MET A 381 -1.756 -1.917 -3.861 1.00 0.00 C ATOM 140 SD MET A 381 -3.019 -2.360 -5.068 1.00 0.00 S ATOM 141 CE MET A 381 -2.278 -1.741 -6.577 1.00 0.00 C ATOM 0 H MET A 381 1.455 -1.243 -2.960 1.00 0.00 H new ATOM 0 HA MET A 381 -0.445 -3.236 -1.867 1.00 0.00 H new ATOM 0 HB2 MET A 381 0.155 -2.356 -4.718 1.00 0.00 H new ATOM 0 HB3 MET A 381 -0.799 -3.773 -4.326 1.00 0.00 H new ATOM 0 HG2 MET A 381 -2.171 -2.007 -2.857 1.00 0.00 H new ATOM 0 HG3 MET A 381 -1.479 -0.872 -3.998 1.00 0.00 H new ATOM 0 HE1 MET A 381 -2.943 -1.941 -7.417 1.00 0.00 H new ATOM 0 HE2 MET A 381 -2.117 -0.667 -6.489 1.00 0.00 H new ATOM 0 HE3 MET A 381 -1.323 -2.238 -6.744 1.00 0.00 H new ATOM 151 N ASN A 382 0.882 -5.265 -2.815 1.00 0.00 N ATOM 152 CA ASN A 382 1.793 -6.398 -2.943 1.00 0.00 C ATOM 153 C ASN A 382 2.871 -6.368 -1.862 1.00 0.00 C ATOM 154 O ASN A 382 4.050 -6.590 -2.139 1.00 0.00 O ATOM 155 CB ASN A 382 2.440 -6.407 -4.331 1.00 0.00 C ATOM 156 CG ASN A 382 2.575 -7.808 -4.897 1.00 0.00 C ATOM 157 OD1 ASN A 382 1.778 -8.694 -4.591 1.00 0.00 O ATOM 158 ND2 ASN A 382 3.589 -8.013 -5.730 1.00 0.00 N ATOM 0 H ASN A 382 -0.103 -5.524 -2.752 1.00 0.00 H new ATOM 0 HA ASN A 382 1.211 -7.310 -2.815 1.00 0.00 H new ATOM 0 HB2 ASN A 382 1.843 -5.799 -5.011 1.00 0.00 H new ATOM 0 HB3 ASN A 382 3.426 -5.945 -4.272 1.00 0.00 H new ATOM 0 HD21 ASN A 382 3.731 -8.934 -6.144 1.00 0.00 H new ATOM 0 HD22 ASN A 382 4.226 -7.249 -5.956 1.00 0.00 H new ATOM 165 N MET A 383 2.456 -6.094 -0.630 1.00 0.00 N ATOM 166 CA MET A 383 3.382 -6.036 0.496 1.00 0.00 C ATOM 167 C MET A 383 2.775 -6.702 1.730 1.00 0.00 C ATOM 168 O MET A 383 3.494 -7.178 2.609 1.00 0.00 O ATOM 169 CB MET A 383 3.762 -4.578 0.794 1.00 0.00 C ATOM 170 CG MET A 383 3.317 -4.078 2.162 1.00 0.00 C ATOM 171 SD MET A 383 3.409 -2.283 2.309 1.00 0.00 S ATOM 172 CE MET A 383 5.104 -2.069 2.848 1.00 0.00 C ATOM 0 H MET A 383 1.483 -5.908 -0.385 1.00 0.00 H new ATOM 0 HA MET A 383 4.287 -6.582 0.231 1.00 0.00 H new ATOM 0 HB2 MET A 383 4.844 -4.475 0.718 1.00 0.00 H new ATOM 0 HB3 MET A 383 3.326 -3.938 0.027 1.00 0.00 H new ATOM 0 HG2 MET A 383 2.293 -4.402 2.347 1.00 0.00 H new ATOM 0 HG3 MET A 383 3.940 -4.534 2.932 1.00 0.00 H new ATOM 0 HE1 MET A 383 5.350 -1.007 2.863 1.00 0.00 H new ATOM 0 HE2 MET A 383 5.222 -2.483 3.849 1.00 0.00 H new ATOM 0 HE3 MET A 383 5.773 -2.587 2.160 1.00 0.00 H new ATOM 182 N VAL A 384 1.446 -6.734 1.784 1.00 0.00 N ATOM 183 CA VAL A 384 0.739 -7.338 2.908 1.00 0.00 C ATOM 184 C VAL A 384 0.036 -8.623 2.491 1.00 0.00 C ATOM 185 O VAL A 384 -0.517 -8.715 1.395 1.00 0.00 O ATOM 186 CB VAL A 384 -0.308 -6.378 3.509 1.00 0.00 C ATOM 187 CG1 VAL A 384 0.254 -5.668 4.729 1.00 0.00 C ATOM 188 CG2 VAL A 384 -0.782 -5.370 2.473 1.00 0.00 C ATOM 0 H VAL A 384 0.838 -6.348 1.062 1.00 0.00 H new ATOM 0 HA VAL A 384 1.494 -7.560 3.662 1.00 0.00 H new ATOM 0 HB VAL A 384 -1.168 -6.970 3.821 1.00 0.00 H new ATOM 0 HG11 VAL A 384 -0.500 -4.995 5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 384 0.531 -6.405 5.483 1.00 0.00 H new ATOM 0 HG13 VAL A 384 1.135 -5.094 4.442 1.00 0.00 H new ATOM 0 HG21 VAL A 384 -1.520 -4.705 2.923 1.00 0.00 H new ATOM 0 HG22 VAL A 384 0.067 -4.784 2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 384 -1.233 -5.897 1.632 1.00 0.00 H new ATOM 198 N LEU A 385 0.062 -9.614 3.376 1.00 0.00 N ATOM 199 CA LEU A 385 -0.577 -10.895 3.112 1.00 0.00 C ATOM 200 C LEU A 385 -1.816 -11.066 3.989 1.00 0.00 C ATOM 201 O LEU A 385 -1.874 -10.528 5.095 1.00 0.00 O ATOM 202 CB LEU A 385 0.406 -12.041 3.364 1.00 0.00 C ATOM 203 CG LEU A 385 1.096 -12.588 2.114 1.00 0.00 C ATOM 204 CD1 LEU A 385 2.604 -12.627 2.312 1.00 0.00 C ATOM 205 CD2 LEU A 385 0.564 -13.972 1.773 1.00 0.00 C ATOM 0 H LEU A 385 0.521 -9.553 4.285 1.00 0.00 H new ATOM 0 HA LEU A 385 -0.884 -10.917 2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 385 1.170 -11.697 4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 385 -0.128 -12.856 3.852 1.00 0.00 H new ATOM 0 HG LEU A 385 0.877 -11.922 1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 385 3.079 -13.019 1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 385 2.972 -11.620 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 385 2.843 -13.271 3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 385 1.067 -14.345 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 385 0.752 -14.650 2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -0.509 -13.914 1.588 1.00 0.00 H new ATOM 217 N PRO A 386 -2.827 -11.814 3.510 1.00 0.00 N ATOM 218 CA PRO A 386 -4.059 -12.043 4.270 1.00 0.00 C ATOM 219 C PRO A 386 -3.813 -12.860 5.531 1.00 0.00 C ATOM 220 O PRO A 386 -4.661 -12.920 6.421 1.00 0.00 O ATOM 221 CB PRO A 386 -4.952 -12.807 3.292 1.00 0.00 C ATOM 222 CG PRO A 386 -4.011 -13.439 2.326 1.00 0.00 C ATOM 223 CD PRO A 386 -2.851 -12.492 2.201 1.00 0.00 C ATOM 0 HA PRO A 386 -4.502 -11.111 4.620 1.00 0.00 H new ATOM 0 HB2 PRO A 386 -5.551 -13.557 3.808 1.00 0.00 H new ATOM 0 HB3 PRO A 386 -5.647 -12.137 2.786 1.00 0.00 H new ATOM 0 HG2 PRO A 386 -3.682 -14.415 2.683 1.00 0.00 H new ATOM 0 HG3 PRO A 386 -4.491 -13.598 1.360 1.00 0.00 H new ATOM 0 HD2 PRO A 386 -1.919 -13.021 2.004 1.00 0.00 H new ATOM 0 HD3 PRO A 386 -2.995 -11.785 1.384 1.00 0.00 H new ATOM 231 N GLU A 387 -2.644 -13.488 5.599 1.00 0.00 N ATOM 232 CA GLU A 387 -2.276 -14.293 6.756 1.00 0.00 C ATOM 233 C GLU A 387 -1.502 -13.448 7.760 1.00 0.00 C ATOM 234 O GLU A 387 -1.083 -13.935 8.810 1.00 0.00 O ATOM 235 CB GLU A 387 -1.438 -15.497 6.326 1.00 0.00 C ATOM 236 CG GLU A 387 -2.257 -16.624 5.719 1.00 0.00 C ATOM 237 CD GLU A 387 -1.514 -17.946 5.714 1.00 0.00 C ATOM 238 OE1 GLU A 387 -1.266 -18.492 6.809 1.00 0.00 O ATOM 239 OE2 GLU A 387 -1.179 -18.434 4.615 1.00 0.00 O ATOM 0 H GLU A 387 -1.936 -13.454 4.866 1.00 0.00 H new ATOM 0 HA GLU A 387 -3.189 -14.656 7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 387 -0.693 -15.170 5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 387 -0.895 -15.879 7.191 1.00 0.00 H new ATOM 0 HG2 GLU A 387 -3.186 -16.735 6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 387 -2.530 -16.361 4.697 1.00 0.00 H new ATOM 246 N GLU A 388 -1.317 -12.175 7.421 1.00 0.00 N ATOM 247 CA GLU A 388 -0.596 -11.246 8.283 1.00 0.00 C ATOM 248 C GLU A 388 -1.556 -10.257 8.935 1.00 0.00 C ATOM 249 O GLU A 388 -1.374 -9.873 10.090 1.00 0.00 O ATOM 250 CB GLU A 388 0.463 -10.491 7.477 1.00 0.00 C ATOM 251 CG GLU A 388 1.545 -11.390 6.901 1.00 0.00 C ATOM 252 CD GLU A 388 2.908 -11.130 7.513 1.00 0.00 C ATOM 253 OE1 GLU A 388 3.412 -9.995 7.379 1.00 0.00 O ATOM 254 OE2 GLU A 388 3.470 -12.060 8.127 1.00 0.00 O ATOM 0 H GLU A 388 -1.658 -11.763 6.552 1.00 0.00 H new ATOM 0 HA GLU A 388 -0.105 -11.820 9.068 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -0.025 -9.957 6.662 1.00 0.00 H new ATOM 0 HB3 GLU A 388 0.928 -9.741 8.117 1.00 0.00 H new ATOM 0 HG2 GLU A 388 1.271 -12.432 7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 388 1.601 -11.240 5.823 1.00 0.00 H new ATOM 261 N LEU A 389 -2.580 -9.850 8.189 1.00 0.00 N ATOM 262 CA LEU A 389 -3.569 -8.907 8.701 1.00 0.00 C ATOM 263 C LEU A 389 -4.668 -9.643 9.461 1.00 0.00 C ATOM 264 O LEU A 389 -5.844 -9.293 9.370 1.00 0.00 O ATOM 265 CB LEU A 389 -4.180 -8.086 7.556 1.00 0.00 C ATOM 266 CG LEU A 389 -3.231 -7.747 6.399 1.00 0.00 C ATOM 267 CD1 LEU A 389 -3.827 -6.665 5.515 1.00 0.00 C ATOM 268 CD2 LEU A 389 -1.878 -7.293 6.919 1.00 0.00 C ATOM 0 H LEU A 389 -2.746 -10.158 7.231 1.00 0.00 H new ATOM 0 HA LEU A 389 -3.064 -8.226 9.386 1.00 0.00 H new ATOM 0 HB2 LEU A 389 -5.031 -8.635 7.154 1.00 0.00 H new ATOM 0 HB3 LEU A 389 -4.568 -7.154 7.968 1.00 0.00 H new ATOM 0 HG LEU A 389 -3.093 -8.653 5.809 1.00 0.00 H new ATOM 0 HD11 LEU A 389 -3.138 -6.440 4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 389 -4.774 -7.013 5.103 1.00 0.00 H new ATOM 0 HD13 LEU A 389 -3.997 -5.765 6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 389 -1.225 -7.059 6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 389 -2.005 -6.405 7.538 1.00 0.00 H new ATOM 0 HD23 LEU A 389 -1.431 -8.089 7.515 1.00 0.00 H new ATOM 280 N LEU A 390 -4.272 -10.667 10.208 1.00 0.00 N ATOM 281 CA LEU A 390 -5.215 -11.459 10.987 1.00 0.00 C ATOM 282 C LEU A 390 -4.668 -11.737 12.384 1.00 0.00 C ATOM 283 O LEU A 390 -5.427 -11.993 13.320 1.00 0.00 O ATOM 284 CB LEU A 390 -5.517 -12.775 10.268 1.00 0.00 C ATOM 285 CG LEU A 390 -6.929 -12.895 9.698 1.00 0.00 C ATOM 286 CD1 LEU A 390 -6.999 -14.019 8.677 1.00 0.00 C ATOM 287 CD2 LEU A 390 -7.933 -13.123 10.817 1.00 0.00 C ATOM 0 H LEU A 390 -3.301 -10.969 10.290 1.00 0.00 H new ATOM 0 HA LEU A 390 -6.138 -10.889 11.089 1.00 0.00 H new ATOM 0 HB2 LEU A 390 -4.802 -12.898 9.454 1.00 0.00 H new ATOM 0 HB3 LEU A 390 -5.352 -13.597 10.964 1.00 0.00 H new ATOM 0 HG LEU A 390 -7.180 -11.961 9.194 1.00 0.00 H new ATOM 0 HD11 LEU A 390 -8.013 -14.089 8.282 1.00 0.00 H new ATOM 0 HD12 LEU A 390 -6.305 -13.814 7.862 1.00 0.00 H new ATOM 0 HD13 LEU A 390 -6.729 -14.961 9.154 1.00 0.00 H new ATOM 0 HD21 LEU A 390 -8.935 -13.207 10.396 1.00 0.00 H new ATOM 0 HD22 LEU A 390 -7.684 -14.042 11.347 1.00 0.00 H new ATOM 0 HD23 LEU A 390 -7.900 -12.284 11.512 1.00 0.00 H new ATOM 299 N ASP A 391 -3.346 -11.685 12.515 1.00 0.00 N ATOM 300 CA ASP A 391 -2.693 -11.924 13.798 1.00 0.00 C ATOM 301 C ASP A 391 -2.497 -10.614 14.556 1.00 0.00 C ATOM 302 O ASP A 391 -2.401 -9.546 13.951 1.00 0.00 O ATOM 303 CB ASP A 391 -1.343 -12.612 13.584 1.00 0.00 C ATOM 304 CG ASP A 391 -1.425 -14.115 13.757 1.00 0.00 C ATOM 305 OD1 ASP A 391 -1.959 -14.565 14.794 1.00 0.00 O ATOM 306 OD2 ASP A 391 -0.956 -14.844 12.857 1.00 0.00 O ATOM 0 H ASP A 391 -2.706 -11.479 11.748 1.00 0.00 H new ATOM 0 HA ASP A 391 -3.334 -12.575 14.392 1.00 0.00 H new ATOM 0 HB2 ASP A 391 -0.977 -12.384 12.583 1.00 0.00 H new ATOM 0 HB3 ASP A 391 -0.617 -12.207 14.289 1.00 0.00 H new ATOM 311 N ASP A 392 -2.436 -10.701 15.881 1.00 0.00 N ATOM 312 CA ASP A 392 -2.255 -9.519 16.716 1.00 0.00 C ATOM 313 C ASP A 392 -0.826 -8.990 16.623 1.00 0.00 C ATOM 314 O ASP A 392 -0.610 -7.790 16.449 1.00 0.00 O ATOM 315 CB ASP A 392 -2.593 -9.840 18.173 1.00 0.00 C ATOM 316 CG ASP A 392 -3.497 -8.798 18.803 1.00 0.00 C ATOM 317 OD1 ASP A 392 -4.720 -8.846 18.556 1.00 0.00 O ATOM 318 OD2 ASP A 392 -2.981 -7.934 19.541 1.00 0.00 O ATOM 0 H ASP A 392 -2.509 -11.577 16.399 1.00 0.00 H new ATOM 0 HA ASP A 392 -2.932 -8.747 16.350 1.00 0.00 H new ATOM 0 HB2 ASP A 392 -3.078 -10.815 18.224 1.00 0.00 H new ATOM 0 HB3 ASP A 392 -1.671 -9.912 18.749 1.00 0.00 H new ATOM 323 N GLU A 393 0.144 -9.892 16.731 1.00 0.00 N ATOM 324 CA GLU A 393 1.550 -9.515 16.670 1.00 0.00 C ATOM 325 C GLU A 393 1.952 -9.137 15.250 1.00 0.00 C ATOM 326 O GLU A 393 2.681 -8.168 15.037 1.00 0.00 O ATOM 327 CB GLU A 393 2.431 -10.662 17.172 1.00 0.00 C ATOM 328 CG GLU A 393 1.907 -11.328 18.435 1.00 0.00 C ATOM 329 CD GLU A 393 2.337 -10.608 19.697 1.00 0.00 C ATOM 330 OE1 GLU A 393 1.685 -9.608 20.062 1.00 0.00 O ATOM 331 OE2 GLU A 393 3.326 -11.046 20.323 1.00 0.00 O ATOM 0 H GLU A 393 -0.019 -10.890 16.861 1.00 0.00 H new ATOM 0 HA GLU A 393 1.694 -8.646 17.313 1.00 0.00 H new ATOM 0 HB2 GLU A 393 2.518 -11.412 16.386 1.00 0.00 H new ATOM 0 HB3 GLU A 393 3.434 -10.281 17.362 1.00 0.00 H new ATOM 0 HG2 GLU A 393 0.818 -11.366 18.396 1.00 0.00 H new ATOM 0 HG3 GLU A 393 2.261 -12.358 18.471 1.00 0.00 H new ATOM 338 N GLU A 394 1.468 -9.907 14.281 1.00 0.00 N ATOM 339 CA GLU A 394 1.780 -9.660 12.878 1.00 0.00 C ATOM 340 C GLU A 394 1.248 -8.303 12.426 1.00 0.00 C ATOM 341 O GLU A 394 1.963 -7.525 11.794 1.00 0.00 O ATOM 342 CB GLU A 394 1.196 -10.769 12.000 1.00 0.00 C ATOM 343 CG GLU A 394 2.153 -11.259 10.927 1.00 0.00 C ATOM 344 CD GLU A 394 3.153 -12.269 11.455 1.00 0.00 C ATOM 345 OE1 GLU A 394 2.719 -13.329 11.954 1.00 0.00 O ATOM 346 OE2 GLU A 394 4.370 -12.001 11.369 1.00 0.00 O ATOM 0 H GLU A 394 0.858 -10.708 14.442 1.00 0.00 H new ATOM 0 HA GLU A 394 2.865 -9.654 12.772 1.00 0.00 H new ATOM 0 HB2 GLU A 394 0.910 -11.610 12.632 1.00 0.00 H new ATOM 0 HB3 GLU A 394 0.286 -10.404 11.525 1.00 0.00 H new ATOM 0 HG2 GLU A 394 1.582 -11.709 10.114 1.00 0.00 H new ATOM 0 HG3 GLU A 394 2.689 -10.408 10.507 1.00 0.00 H new ATOM 353 N TYR A 395 -0.014 -8.029 12.747 1.00 0.00 N ATOM 354 CA TYR A 395 -0.644 -6.774 12.381 1.00 0.00 C ATOM 355 C TYR A 395 0.140 -5.585 12.921 1.00 0.00 C ATOM 356 O TYR A 395 0.587 -4.725 12.162 1.00 0.00 O ATOM 357 CB TYR A 395 -2.072 -6.742 12.919 1.00 0.00 C ATOM 358 CG TYR A 395 -2.856 -5.541 12.465 1.00 0.00 C ATOM 359 CD1 TYR A 395 -3.046 -5.288 11.115 1.00 0.00 C ATOM 360 CD2 TYR A 395 -3.400 -4.658 13.384 1.00 0.00 C ATOM 361 CE1 TYR A 395 -3.758 -4.189 10.692 1.00 0.00 C ATOM 362 CE2 TYR A 395 -4.114 -3.554 12.971 1.00 0.00 C ATOM 363 CZ TYR A 395 -4.292 -3.322 11.624 1.00 0.00 C ATOM 364 OH TYR A 395 -5.003 -2.220 11.208 1.00 0.00 O ATOM 0 H TYR A 395 -0.620 -8.667 13.263 1.00 0.00 H new ATOM 0 HA TYR A 395 -0.659 -6.702 11.293 1.00 0.00 H new ATOM 0 HB2 TYR A 395 -2.592 -7.646 12.603 1.00 0.00 H new ATOM 0 HB3 TYR A 395 -2.042 -6.756 14.008 1.00 0.00 H new ATOM 0 HD1 TYR A 395 -2.629 -5.964 10.384 1.00 0.00 H new ATOM 0 HD2 TYR A 395 -3.262 -4.838 14.440 1.00 0.00 H new ATOM 0 HE1 TYR A 395 -3.898 -4.006 9.637 1.00 0.00 H new ATOM 0 HE2 TYR A 395 -4.532 -2.874 13.699 1.00 0.00 H new ATOM 0 HH TYR A 395 -5.034 -2.201 10.229 1.00 0.00 H new ATOM 374 N GLU A 396 0.301 -5.542 14.241 1.00 0.00 N ATOM 375 CA GLU A 396 1.028 -4.457 14.890 1.00 0.00 C ATOM 376 C GLU A 396 2.452 -4.347 14.352 1.00 0.00 C ATOM 377 O GLU A 396 3.071 -3.286 14.429 1.00 0.00 O ATOM 378 CB GLU A 396 1.060 -4.672 16.405 1.00 0.00 C ATOM 379 CG GLU A 396 -0.294 -4.495 17.074 1.00 0.00 C ATOM 380 CD GLU A 396 -0.177 -4.165 18.550 1.00 0.00 C ATOM 381 OE1 GLU A 396 0.716 -3.370 18.913 1.00 0.00 O ATOM 382 OE2 GLU A 396 -0.980 -4.701 19.343 1.00 0.00 O ATOM 0 H GLU A 396 -0.063 -6.247 14.882 1.00 0.00 H new ATOM 0 HA GLU A 396 0.506 -3.526 14.670 1.00 0.00 H new ATOM 0 HB2 GLU A 396 1.430 -5.676 16.613 1.00 0.00 H new ATOM 0 HB3 GLU A 396 1.769 -3.972 16.848 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -0.843 -3.699 16.570 1.00 0.00 H new ATOM 0 HG3 GLU A 396 -0.876 -5.409 16.955 1.00 0.00 H new ATOM 389 N GLU A 397 2.965 -5.445 13.805 1.00 0.00 N ATOM 390 CA GLU A 397 4.319 -5.467 13.260 1.00 0.00 C ATOM 391 C GLU A 397 4.414 -4.645 11.977 1.00 0.00 C ATOM 392 O GLU A 397 5.320 -3.826 11.822 1.00 0.00 O ATOM 393 CB GLU A 397 4.759 -6.906 12.987 1.00 0.00 C ATOM 394 CG GLU A 397 6.263 -7.105 13.057 1.00 0.00 C ATOM 395 CD GLU A 397 6.702 -7.769 14.347 1.00 0.00 C ATOM 396 OE1 GLU A 397 6.135 -7.437 15.410 1.00 0.00 O ATOM 397 OE2 GLU A 397 7.615 -8.621 14.296 1.00 0.00 O ATOM 0 H GLU A 397 2.464 -6.330 13.727 1.00 0.00 H new ATOM 0 HA GLU A 397 4.982 -5.022 14.001 1.00 0.00 H new ATOM 0 HB2 GLU A 397 4.279 -7.567 13.709 1.00 0.00 H new ATOM 0 HB3 GLU A 397 4.407 -7.204 11.999 1.00 0.00 H new ATOM 0 HG2 GLU A 397 6.585 -7.713 12.212 1.00 0.00 H new ATOM 0 HG3 GLU A 397 6.759 -6.139 12.963 1.00 0.00 H new ATOM 404 N ILE A 398 3.477 -4.867 11.059 1.00 0.00 N ATOM 405 CA ILE A 398 3.467 -4.148 9.789 1.00 0.00 C ATOM 406 C ILE A 398 3.186 -2.662 9.991 1.00 0.00 C ATOM 407 O ILE A 398 3.943 -1.814 9.529 1.00 0.00 O ATOM 408 CB ILE A 398 2.417 -4.723 8.820 1.00 0.00 C ATOM 409 CG1 ILE A 398 2.664 -6.215 8.590 1.00 0.00 C ATOM 410 CG2 ILE A 398 2.442 -3.964 7.500 1.00 0.00 C ATOM 411 CD1 ILE A 398 1.578 -6.885 7.778 1.00 0.00 C ATOM 0 H ILE A 398 2.717 -5.538 11.171 1.00 0.00 H new ATOM 0 HA ILE A 398 4.460 -4.273 9.357 1.00 0.00 H new ATOM 0 HB ILE A 398 1.429 -4.604 9.266 1.00 0.00 H new ATOM 0 HG12 ILE A 398 3.619 -6.343 8.081 1.00 0.00 H new ATOM 0 HG13 ILE A 398 2.747 -6.715 9.555 1.00 0.00 H new ATOM 0 HG21 ILE A 398 1.695 -4.382 6.826 1.00 0.00 H new ATOM 0 HG22 ILE A 398 2.220 -2.912 7.681 1.00 0.00 H new ATOM 0 HG23 ILE A 398 3.430 -4.054 7.047 1.00 0.00 H new ATOM 0 HD11 ILE A 398 1.816 -7.941 7.653 1.00 0.00 H new ATOM 0 HD12 ILE A 398 0.624 -6.787 8.296 1.00 0.00 H new ATOM 0 HD13 ILE A 398 1.510 -6.410 6.799 1.00 0.00 H new ATOM 423 N VAL A 399 2.089 -2.356 10.675 1.00 0.00 N ATOM 424 CA VAL A 399 1.706 -0.972 10.933 1.00 0.00 C ATOM 425 C VAL A 399 2.848 -0.173 11.561 1.00 0.00 C ATOM 426 O VAL A 399 3.143 0.941 11.128 1.00 0.00 O ATOM 427 CB VAL A 399 0.475 -0.893 11.856 1.00 0.00 C ATOM 428 CG1 VAL A 399 0.068 0.555 12.083 1.00 0.00 C ATOM 429 CG2 VAL A 399 -0.680 -1.694 11.274 1.00 0.00 C ATOM 0 H VAL A 399 1.448 -3.049 11.062 1.00 0.00 H new ATOM 0 HA VAL A 399 1.461 -0.536 9.964 1.00 0.00 H new ATOM 0 HB VAL A 399 0.739 -1.327 12.821 1.00 0.00 H new ATOM 0 HG11 VAL A 399 -0.803 0.590 12.737 1.00 0.00 H new ATOM 0 HG12 VAL A 399 0.892 1.096 12.547 1.00 0.00 H new ATOM 0 HG13 VAL A 399 -0.177 1.018 11.127 1.00 0.00 H new ATOM 0 HG21 VAL A 399 -1.541 -1.627 11.939 1.00 0.00 H new ATOM 0 HG22 VAL A 399 -0.945 -1.292 10.296 1.00 0.00 H new ATOM 0 HG23 VAL A 399 -0.383 -2.737 11.169 1.00 0.00 H new ATOM 439 N GLU A 400 3.485 -0.744 12.579 1.00 0.00 N ATOM 440 CA GLU A 400 4.587 -0.072 13.266 1.00 0.00 C ATOM 441 C GLU A 400 5.730 0.249 12.306 1.00 0.00 C ATOM 442 O GLU A 400 6.081 1.414 12.115 1.00 0.00 O ATOM 443 CB GLU A 400 5.106 -0.938 14.416 1.00 0.00 C ATOM 444 CG GLU A 400 5.663 -0.133 15.579 1.00 0.00 C ATOM 445 CD GLU A 400 5.100 -0.574 16.917 1.00 0.00 C ATOM 446 OE1 GLU A 400 5.455 -1.681 17.374 1.00 0.00 O ATOM 447 OE2 GLU A 400 4.306 0.188 17.506 1.00 0.00 O ATOM 0 H GLU A 400 3.259 -1.668 12.947 1.00 0.00 H new ATOM 0 HA GLU A 400 4.202 0.866 13.666 1.00 0.00 H new ATOM 0 HB2 GLU A 400 4.296 -1.571 14.778 1.00 0.00 H new ATOM 0 HB3 GLU A 400 5.884 -1.601 14.038 1.00 0.00 H new ATOM 0 HG2 GLU A 400 6.749 -0.230 15.596 1.00 0.00 H new ATOM 0 HG3 GLU A 400 5.440 0.923 15.425 1.00 0.00 H new ATOM 454 N ASP A 401 6.305 -0.789 11.708 1.00 0.00 N ATOM 455 CA ASP A 401 7.415 -0.620 10.774 1.00 0.00 C ATOM 456 C ASP A 401 7.038 0.317 9.630 1.00 0.00 C ATOM 457 O ASP A 401 7.694 1.333 9.410 1.00 0.00 O ATOM 458 CB ASP A 401 7.848 -1.976 10.214 1.00 0.00 C ATOM 459 CG ASP A 401 9.133 -2.477 10.844 1.00 0.00 C ATOM 460 OD1 ASP A 401 9.111 -2.820 12.045 1.00 0.00 O ATOM 461 OD2 ASP A 401 10.162 -2.525 10.137 1.00 0.00 O ATOM 0 H ASP A 401 6.021 -1.758 11.853 1.00 0.00 H new ATOM 0 HA ASP A 401 8.246 -0.174 11.321 1.00 0.00 H new ATOM 0 HB2 ASP A 401 7.056 -2.705 10.382 1.00 0.00 H new ATOM 0 HB3 ASP A 401 7.983 -1.895 9.135 1.00 0.00 H new ATOM 466 N VAL A 402 5.980 -0.037 8.906 1.00 0.00 N ATOM 467 CA VAL A 402 5.507 0.761 7.778 1.00 0.00 C ATOM 468 C VAL A 402 5.347 2.234 8.156 1.00 0.00 C ATOM 469 O VAL A 402 5.520 3.119 7.318 1.00 0.00 O ATOM 470 CB VAL A 402 4.167 0.211 7.237 1.00 0.00 C ATOM 471 CG1 VAL A 402 3.445 1.248 6.383 1.00 0.00 C ATOM 472 CG2 VAL A 402 4.402 -1.064 6.441 1.00 0.00 C ATOM 0 H VAL A 402 5.430 -0.878 9.082 1.00 0.00 H new ATOM 0 HA VAL A 402 6.263 0.690 6.996 1.00 0.00 H new ATOM 0 HB VAL A 402 3.529 -0.019 8.091 1.00 0.00 H new ATOM 0 HG11 VAL A 402 2.507 0.830 6.018 1.00 0.00 H new ATOM 0 HG12 VAL A 402 3.238 2.134 6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 402 4.073 1.523 5.536 1.00 0.00 H new ATOM 0 HG21 VAL A 402 3.450 -1.440 6.066 1.00 0.00 H new ATOM 0 HG22 VAL A 402 5.064 -0.852 5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 402 4.861 -1.815 7.084 1.00 0.00 H new ATOM 482 N ARG A 403 5.023 2.494 9.420 1.00 0.00 N ATOM 483 CA ARG A 403 4.839 3.865 9.889 1.00 0.00 C ATOM 484 C ARG A 403 6.170 4.609 9.950 1.00 0.00 C ATOM 485 O ARG A 403 6.338 5.651 9.315 1.00 0.00 O ATOM 486 CB ARG A 403 4.178 3.874 11.267 1.00 0.00 C ATOM 487 CG ARG A 403 3.650 5.239 11.674 1.00 0.00 C ATOM 488 CD ARG A 403 2.409 5.121 12.542 1.00 0.00 C ATOM 489 NE ARG A 403 1.183 5.111 11.751 1.00 0.00 N ATOM 490 CZ ARG A 403 -0.031 4.975 12.275 1.00 0.00 C ATOM 491 NH1 ARG A 403 -0.181 4.847 13.588 1.00 0.00 N ATOM 492 NH2 ARG A 403 -1.098 4.971 11.487 1.00 0.00 N ATOM 0 H ARG A 403 4.883 1.779 10.134 1.00 0.00 H new ATOM 0 HA ARG A 403 4.190 4.376 9.177 1.00 0.00 H new ATOM 0 HB2 ARG A 403 3.356 3.158 11.272 1.00 0.00 H new ATOM 0 HB3 ARG A 403 4.900 3.535 12.010 1.00 0.00 H new ATOM 0 HG2 ARG A 403 4.424 5.783 12.216 1.00 0.00 H new ATOM 0 HG3 ARG A 403 3.417 5.821 10.782 1.00 0.00 H new ATOM 0 HD2 ARG A 403 2.466 4.207 13.132 1.00 0.00 H new ATOM 0 HD3 ARG A 403 2.379 5.953 13.245 1.00 0.00 H new ATOM 0 HE ARG A 403 1.262 5.214 10.739 1.00 0.00 H new ATOM 0 HH11 ARG A 403 0.637 4.853 14.198 1.00 0.00 H new ATOM 0 HH12 ARG A 403 -1.114 4.743 13.987 1.00 0.00 H new ATOM 0 HH21 ARG A 403 -0.987 5.072 10.478 1.00 0.00 H new ATOM 0 HH22 ARG A 403 -2.029 4.867 11.890 1.00 0.00 H new ATOM 506 N ASP A 404 7.110 4.070 10.718 1.00 0.00 N ATOM 507 CA ASP A 404 8.425 4.686 10.861 1.00 0.00 C ATOM 508 C ASP A 404 9.179 4.675 9.535 1.00 0.00 C ATOM 509 O ASP A 404 10.094 5.472 9.322 1.00 0.00 O ATOM 510 CB ASP A 404 9.241 3.957 11.930 1.00 0.00 C ATOM 511 CG ASP A 404 9.172 4.646 13.279 1.00 0.00 C ATOM 512 OD1 ASP A 404 8.047 4.920 13.749 1.00 0.00 O ATOM 513 OD2 ASP A 404 10.243 4.909 13.866 1.00 0.00 O ATOM 0 H ASP A 404 6.987 3.209 11.251 1.00 0.00 H new ATOM 0 HA ASP A 404 8.280 5.722 11.168 1.00 0.00 H new ATOM 0 HB2 ASP A 404 8.876 2.935 12.028 1.00 0.00 H new ATOM 0 HB3 ASP A 404 10.281 3.894 11.610 1.00 0.00 H new ATOM 518 N GLU A 405 8.786 3.768 8.648 1.00 0.00 N ATOM 519 CA GLU A 405 9.418 3.643 7.342 1.00 0.00 C ATOM 520 C GLU A 405 8.949 4.751 6.404 1.00 0.00 C ATOM 521 O GLU A 405 9.754 5.390 5.728 1.00 0.00 O ATOM 522 CB GLU A 405 9.107 2.273 6.739 1.00 0.00 C ATOM 523 CG GLU A 405 9.949 1.151 7.320 1.00 0.00 C ATOM 524 CD GLU A 405 9.545 -0.214 6.800 1.00 0.00 C ATOM 525 OE1 GLU A 405 8.398 -0.357 6.328 1.00 0.00 O ATOM 526 OE2 GLU A 405 10.377 -1.143 6.867 1.00 0.00 O ATOM 0 H GLU A 405 8.028 3.105 8.812 1.00 0.00 H new ATOM 0 HA GLU A 405 10.496 3.739 7.470 1.00 0.00 H new ATOM 0 HB2 GLU A 405 8.053 2.046 6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 405 9.265 2.315 5.661 1.00 0.00 H new ATOM 0 HG2 GLU A 405 10.998 1.330 7.083 1.00 0.00 H new ATOM 0 HG3 GLU A 405 9.861 1.162 8.406 1.00 0.00 H new ATOM 533 N CYS A 406 7.637 4.970 6.367 1.00 0.00 N ATOM 534 CA CYS A 406 7.055 6.003 5.517 1.00 0.00 C ATOM 535 C CYS A 406 7.422 7.393 6.029 1.00 0.00 C ATOM 536 O CYS A 406 7.390 8.369 5.280 1.00 0.00 O ATOM 537 CB CYS A 406 5.534 5.852 5.467 1.00 0.00 C ATOM 538 SG CYS A 406 4.938 4.853 4.082 1.00 0.00 S ATOM 0 H CYS A 406 6.957 4.445 6.917 1.00 0.00 H new ATOM 0 HA CYS A 406 7.458 5.885 4.511 1.00 0.00 H new ATOM 0 HB2 CYS A 406 5.193 5.402 6.399 1.00 0.00 H new ATOM 0 HB3 CYS A 406 5.083 6.842 5.408 1.00 0.00 H new ATOM 0 HG CYS A 406 4.475 3.724 4.529 1.00 0.00 H new ATOM 544 N SER A 407 7.768 7.471 7.310 1.00 0.00 N ATOM 545 CA SER A 407 8.141 8.738 7.929 1.00 0.00 C ATOM 546 C SER A 407 9.643 8.985 7.809 1.00 0.00 C ATOM 547 O SER A 407 10.250 9.619 8.672 1.00 0.00 O ATOM 548 CB SER A 407 7.723 8.753 9.400 1.00 0.00 C ATOM 549 OG SER A 407 8.648 8.036 10.200 1.00 0.00 O ATOM 0 H SER A 407 7.798 6.670 7.941 1.00 0.00 H new ATOM 0 HA SER A 407 7.620 9.537 7.403 1.00 0.00 H new ATOM 0 HB2 SER A 407 7.655 9.783 9.752 1.00 0.00 H new ATOM 0 HB3 SER A 407 6.731 8.314 9.504 1.00 0.00 H new ATOM 0 HG SER A 407 9.033 7.302 9.677 1.00 0.00 H new ATOM 555 N LYS A 408 10.233 8.479 6.731 1.00 0.00 N ATOM 556 CA LYS A 408 11.663 8.643 6.491 1.00 0.00 C ATOM 557 C LYS A 408 11.898 9.553 5.293 1.00 0.00 C ATOM 558 O LYS A 408 13.017 10.007 5.049 1.00 0.00 O ATOM 559 CB LYS A 408 12.325 7.285 6.256 1.00 0.00 C ATOM 560 CG LYS A 408 12.750 6.586 7.536 1.00 0.00 C ATOM 561 CD LYS A 408 13.413 5.249 7.245 1.00 0.00 C ATOM 562 CE LYS A 408 13.403 4.343 8.467 1.00 0.00 C ATOM 563 NZ LYS A 408 14.776 4.102 8.991 1.00 0.00 N ATOM 0 H LYS A 408 9.743 7.951 6.009 1.00 0.00 H new ATOM 0 HA LYS A 408 12.110 9.101 7.373 1.00 0.00 H new ATOM 0 HB2 LYS A 408 11.632 6.642 5.713 1.00 0.00 H new ATOM 0 HB3 LYS A 408 13.199 7.422 5.619 1.00 0.00 H new ATOM 0 HG2 LYS A 408 13.440 7.223 8.088 1.00 0.00 H new ATOM 0 HG3 LYS A 408 11.880 6.431 8.174 1.00 0.00 H new ATOM 0 HD2 LYS A 408 12.895 4.757 6.422 1.00 0.00 H new ATOM 0 HD3 LYS A 408 14.441 5.414 6.922 1.00 0.00 H new ATOM 0 HE2 LYS A 408 12.790 4.793 9.248 1.00 0.00 H new ATOM 0 HE3 LYS A 408 12.941 3.390 8.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 14.726 3.480 9.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 15.354 3.649 8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 15.208 5.008 9.262 1.00 0.00 H new ATOM 577 N TYR A 409 10.831 9.813 4.546 1.00 0.00 N ATOM 578 CA TYR A 409 10.903 10.672 3.373 1.00 0.00 C ATOM 579 C TYR A 409 10.146 11.971 3.621 1.00 0.00 C ATOM 580 O TYR A 409 10.313 12.950 2.895 1.00 0.00 O ATOM 581 CB TYR A 409 10.324 9.956 2.151 1.00 0.00 C ATOM 582 CG TYR A 409 10.675 8.488 2.089 1.00 0.00 C ATOM 583 CD1 TYR A 409 11.863 8.064 1.507 1.00 0.00 C ATOM 584 CD2 TYR A 409 9.821 7.525 2.614 1.00 0.00 C ATOM 585 CE1 TYR A 409 12.190 6.723 1.449 1.00 0.00 C ATOM 586 CE2 TYR A 409 10.142 6.181 2.561 1.00 0.00 C ATOM 587 CZ TYR A 409 11.326 5.787 1.977 1.00 0.00 C ATOM 588 OH TYR A 409 11.651 4.450 1.922 1.00 0.00 O ATOM 0 H TYR A 409 9.901 9.438 4.735 1.00 0.00 H new ATOM 0 HA TYR A 409 11.950 10.905 3.181 1.00 0.00 H new ATOM 0 HB2 TYR A 409 9.239 10.062 2.158 1.00 0.00 H new ATOM 0 HB3 TYR A 409 10.686 10.446 1.247 1.00 0.00 H new ATOM 0 HD1 TYR A 409 12.542 8.795 1.093 1.00 0.00 H new ATOM 0 HD2 TYR A 409 8.892 7.832 3.071 1.00 0.00 H new ATOM 0 HE1 TYR A 409 13.117 6.409 0.993 1.00 0.00 H new ATOM 0 HE2 TYR A 409 9.469 5.445 2.975 1.00 0.00 H new ATOM 0 HH TYR A 409 11.204 3.974 2.653 1.00 0.00 H new ATOM 598 N GLY A 410 9.316 11.967 4.660 1.00 0.00 N ATOM 599 CA GLY A 410 8.541 13.143 4.997 1.00 0.00 C ATOM 600 C GLY A 410 7.636 12.919 6.191 1.00 0.00 C ATOM 601 O GLY A 410 8.030 12.279 7.167 1.00 0.00 O ATOM 0 H GLY A 410 9.168 11.167 5.275 1.00 0.00 H new ATOM 0 HA2 GLY A 410 9.217 13.971 5.208 1.00 0.00 H new ATOM 0 HA3 GLY A 410 7.938 13.435 4.138 1.00 0.00 H new ATOM 605 N LEU A 411 6.420 13.451 6.115 1.00 0.00 N ATOM 606 CA LEU A 411 5.453 13.311 7.197 1.00 0.00 C ATOM 607 C LEU A 411 4.254 12.472 6.761 1.00 0.00 C ATOM 608 O LEU A 411 3.640 12.744 5.730 1.00 0.00 O ATOM 609 CB LEU A 411 4.973 14.690 7.656 1.00 0.00 C ATOM 610 CG LEU A 411 5.335 15.077 9.091 1.00 0.00 C ATOM 611 CD1 LEU A 411 4.921 13.988 10.071 1.00 0.00 C ATOM 612 CD2 LEU A 411 6.823 15.360 9.199 1.00 0.00 C ATOM 0 H LEU A 411 6.081 13.984 5.314 1.00 0.00 H new ATOM 0 HA LEU A 411 5.948 12.802 8.024 1.00 0.00 H new ATOM 0 HB2 LEU A 411 5.386 15.441 6.982 1.00 0.00 H new ATOM 0 HB3 LEU A 411 3.889 14.730 7.551 1.00 0.00 H new ATOM 0 HG LEU A 411 4.788 15.984 9.350 1.00 0.00 H new ATOM 0 HD11 LEU A 411 5.190 14.288 11.084 1.00 0.00 H new ATOM 0 HD12 LEU A 411 3.843 13.836 10.012 1.00 0.00 H new ATOM 0 HD13 LEU A 411 5.433 13.059 9.820 1.00 0.00 H new ATOM 0 HD21 LEU A 411 7.068 15.634 10.225 1.00 0.00 H new ATOM 0 HD22 LEU A 411 7.384 14.469 8.918 1.00 0.00 H new ATOM 0 HD23 LEU A 411 7.087 16.180 8.531 1.00 0.00 H new ATOM 624 N VAL A 412 3.928 11.454 7.552 1.00 0.00 N ATOM 625 CA VAL A 412 2.792 10.591 7.253 1.00 0.00 C ATOM 626 C VAL A 412 1.719 10.729 8.332 1.00 0.00 C ATOM 627 O VAL A 412 1.903 10.297 9.470 1.00 0.00 O ATOM 628 CB VAL A 412 3.216 9.110 7.118 1.00 0.00 C ATOM 629 CG1 VAL A 412 3.986 8.646 8.343 1.00 0.00 C ATOM 630 CG2 VAL A 412 2.003 8.221 6.878 1.00 0.00 C ATOM 0 H VAL A 412 4.434 11.208 8.403 1.00 0.00 H new ATOM 0 HA VAL A 412 2.383 10.911 6.295 1.00 0.00 H new ATOM 0 HB VAL A 412 3.877 9.030 6.255 1.00 0.00 H new ATOM 0 HG11 VAL A 412 4.271 7.601 8.219 1.00 0.00 H new ATOM 0 HG12 VAL A 412 4.882 9.255 8.462 1.00 0.00 H new ATOM 0 HG13 VAL A 412 3.358 8.749 9.228 1.00 0.00 H new ATOM 0 HG21 VAL A 412 2.325 7.184 6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 412 1.312 8.314 7.716 1.00 0.00 H new ATOM 0 HG23 VAL A 412 1.503 8.528 5.960 1.00 0.00 H new ATOM 640 N LYS A 413 0.602 11.353 7.965 1.00 0.00 N ATOM 641 CA LYS A 413 -0.504 11.570 8.893 1.00 0.00 C ATOM 642 C LYS A 413 -0.908 10.278 9.596 1.00 0.00 C ATOM 643 O LYS A 413 -0.724 10.137 10.805 1.00 0.00 O ATOM 644 CB LYS A 413 -1.707 12.159 8.154 1.00 0.00 C ATOM 645 CG LYS A 413 -1.586 13.650 7.891 1.00 0.00 C ATOM 646 CD LYS A 413 -2.402 14.071 6.680 1.00 0.00 C ATOM 647 CE LYS A 413 -3.348 15.213 7.016 1.00 0.00 C ATOM 648 NZ LYS A 413 -4.621 15.122 6.250 1.00 0.00 N ATOM 0 H LYS A 413 0.439 11.719 7.027 1.00 0.00 H new ATOM 0 HA LYS A 413 -0.165 12.275 9.652 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -1.830 11.639 7.204 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -2.609 11.973 8.738 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -1.922 14.203 8.768 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -0.539 13.909 7.733 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -1.732 14.377 5.877 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -2.974 13.220 6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -3.565 15.202 8.084 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -2.861 16.164 6.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -5.239 15.918 6.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -4.416 15.158 5.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -5.099 14.226 6.476 1.00 0.00 H new ATOM 662 N SER A 414 -1.458 9.339 8.835 1.00 0.00 N ATOM 663 CA SER A 414 -1.890 8.064 9.398 1.00 0.00 C ATOM 664 C SER A 414 -1.696 6.929 8.401 1.00 0.00 C ATOM 665 O SER A 414 -1.086 7.112 7.349 1.00 0.00 O ATOM 666 CB SER A 414 -3.360 8.140 9.817 1.00 0.00 C ATOM 667 OG SER A 414 -3.832 9.475 9.785 1.00 0.00 O ATOM 0 H SER A 414 -1.615 9.435 7.832 1.00 0.00 H new ATOM 0 HA SER A 414 -1.276 7.860 10.275 1.00 0.00 H new ATOM 0 HB2 SER A 414 -3.963 7.522 9.152 1.00 0.00 H new ATOM 0 HB3 SER A 414 -3.476 7.734 10.822 1.00 0.00 H new ATOM 0 HG SER A 414 -4.774 9.496 10.055 1.00 0.00 H new ATOM 673 N ILE A 415 -2.214 5.754 8.747 1.00 0.00 N ATOM 674 CA ILE A 415 -2.107 4.583 7.886 1.00 0.00 C ATOM 675 C ILE A 415 -3.366 3.727 7.977 1.00 0.00 C ATOM 676 O ILE A 415 -3.909 3.520 9.064 1.00 0.00 O ATOM 677 CB ILE A 415 -0.889 3.709 8.250 1.00 0.00 C ATOM 678 CG1 ILE A 415 0.396 4.540 8.251 1.00 0.00 C ATOM 679 CG2 ILE A 415 -0.773 2.540 7.282 1.00 0.00 C ATOM 680 CD1 ILE A 415 1.632 3.747 8.618 1.00 0.00 C ATOM 0 H ILE A 415 -2.713 5.589 9.621 1.00 0.00 H new ATOM 0 HA ILE A 415 -1.982 4.955 6.869 1.00 0.00 H new ATOM 0 HB ILE A 415 -1.035 3.315 9.256 1.00 0.00 H new ATOM 0 HG12 ILE A 415 0.536 4.978 7.263 1.00 0.00 H new ATOM 0 HG13 ILE A 415 0.283 5.366 8.953 1.00 0.00 H new ATOM 0 HG21 ILE A 415 0.090 1.931 7.549 1.00 0.00 H new ATOM 0 HG22 ILE A 415 -1.676 1.933 7.335 1.00 0.00 H new ATOM 0 HG23 ILE A 415 -0.650 2.919 6.267 1.00 0.00 H new ATOM 0 HD11 ILE A 415 2.503 4.401 8.598 1.00 0.00 H new ATOM 0 HD12 ILE A 415 1.514 3.331 9.619 1.00 0.00 H new ATOM 0 HD13 ILE A 415 1.770 2.937 7.902 1.00 0.00 H new ATOM 692 N GLU A 416 -3.826 3.233 6.833 1.00 0.00 N ATOM 693 CA GLU A 416 -5.015 2.391 6.787 1.00 0.00 C ATOM 694 C GLU A 416 -4.657 0.989 6.307 1.00 0.00 C ATOM 695 O GLU A 416 -4.347 0.781 5.132 1.00 0.00 O ATOM 696 CB GLU A 416 -6.073 3.007 5.872 1.00 0.00 C ATOM 697 CG GLU A 416 -7.085 3.872 6.606 1.00 0.00 C ATOM 698 CD GLU A 416 -7.881 3.094 7.635 1.00 0.00 C ATOM 699 OE1 GLU A 416 -8.233 1.927 7.356 1.00 0.00 O ATOM 700 OE2 GLU A 416 -8.152 3.649 8.721 1.00 0.00 O ATOM 0 H GLU A 416 -3.393 3.401 5.925 1.00 0.00 H new ATOM 0 HA GLU A 416 -5.424 2.321 7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 416 -5.577 3.610 5.111 1.00 0.00 H new ATOM 0 HB3 GLU A 416 -6.601 2.208 5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -6.565 4.693 7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 416 -7.769 4.316 5.883 1.00 0.00 H new ATOM 707 N ILE A 417 -4.699 0.031 7.228 1.00 0.00 N ATOM 708 CA ILE A 417 -4.372 -1.355 6.916 1.00 0.00 C ATOM 709 C ILE A 417 -5.443 -2.302 7.462 1.00 0.00 C ATOM 710 O ILE A 417 -5.418 -2.656 8.641 1.00 0.00 O ATOM 711 CB ILE A 417 -2.997 -1.736 7.501 1.00 0.00 C ATOM 712 CG1 ILE A 417 -1.964 -0.672 7.124 1.00 0.00 C ATOM 713 CG2 ILE A 417 -2.563 -3.114 7.017 1.00 0.00 C ATOM 714 CD1 ILE A 417 -0.598 -0.896 7.738 1.00 0.00 C ATOM 0 H ILE A 417 -4.958 0.191 8.201 1.00 0.00 H new ATOM 0 HA ILE A 417 -4.335 -1.452 5.831 1.00 0.00 H new ATOM 0 HB ILE A 417 -3.076 -1.780 8.587 1.00 0.00 H new ATOM 0 HG12 ILE A 417 -1.864 -0.646 6.039 1.00 0.00 H new ATOM 0 HG13 ILE A 417 -2.334 0.305 7.433 1.00 0.00 H new ATOM 0 HG21 ILE A 417 -1.590 -3.360 7.443 1.00 0.00 H new ATOM 0 HG22 ILE A 417 -3.295 -3.857 7.332 1.00 0.00 H new ATOM 0 HG23 ILE A 417 -2.492 -3.112 5.929 1.00 0.00 H new ATOM 0 HD11 ILE A 417 0.077 -0.100 7.423 1.00 0.00 H new ATOM 0 HD12 ILE A 417 -0.682 -0.892 8.825 1.00 0.00 H new ATOM 0 HD13 ILE A 417 -0.204 -1.858 7.409 1.00 0.00 H new ATOM 726 N PRO A 418 -6.404 -2.721 6.613 1.00 0.00 N ATOM 727 CA PRO A 418 -7.490 -3.621 7.026 1.00 0.00 C ATOM 728 C PRO A 418 -6.987 -4.901 7.685 1.00 0.00 C ATOM 729 O PRO A 418 -5.867 -5.347 7.436 1.00 0.00 O ATOM 730 CB PRO A 418 -8.223 -3.947 5.716 1.00 0.00 C ATOM 731 CG PRO A 418 -7.317 -3.490 4.622 1.00 0.00 C ATOM 732 CD PRO A 418 -6.516 -2.359 5.191 1.00 0.00 C ATOM 0 HA PRO A 418 -8.124 -3.151 7.778 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -8.426 -5.015 5.636 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -9.184 -3.436 5.668 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -6.667 -4.300 4.291 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -7.889 -3.164 3.753 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -5.538 -2.277 4.716 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -7.017 -1.400 5.056 1.00 0.00 H new ATOM 740 N ARG A 419 -7.830 -5.484 8.534 1.00 0.00 N ATOM 741 CA ARG A 419 -7.502 -6.711 9.240 1.00 0.00 C ATOM 742 C ARG A 419 -8.774 -7.527 9.439 1.00 0.00 C ATOM 743 O ARG A 419 -9.384 -7.484 10.507 1.00 0.00 O ATOM 744 CB ARG A 419 -6.840 -6.413 10.588 1.00 0.00 C ATOM 745 CG ARG A 419 -7.539 -5.332 11.395 1.00 0.00 C ATOM 746 CD ARG A 419 -7.689 -5.738 12.853 1.00 0.00 C ATOM 747 NE ARG A 419 -8.422 -6.994 13.005 1.00 0.00 N ATOM 748 CZ ARG A 419 -9.261 -7.242 14.005 1.00 0.00 C ATOM 749 NH1 ARG A 419 -9.476 -6.326 14.939 1.00 0.00 N ATOM 750 NH2 ARG A 419 -9.888 -8.409 14.072 1.00 0.00 N ATOM 0 H ARG A 419 -8.757 -5.117 8.749 1.00 0.00 H new ATOM 0 HA ARG A 419 -6.790 -7.282 8.644 1.00 0.00 H new ATOM 0 HB2 ARG A 419 -6.810 -7.330 11.177 1.00 0.00 H new ATOM 0 HB3 ARG A 419 -5.807 -6.112 10.415 1.00 0.00 H new ATOM 0 HG2 ARG A 419 -6.972 -4.404 11.331 1.00 0.00 H new ATOM 0 HG3 ARG A 419 -8.522 -5.135 10.968 1.00 0.00 H new ATOM 0 HD2 ARG A 419 -6.702 -5.839 13.303 1.00 0.00 H new ATOM 0 HD3 ARG A 419 -8.208 -4.949 13.396 1.00 0.00 H new ATOM 0 HE ARG A 419 -8.281 -7.721 12.304 1.00 0.00 H new ATOM 0 HH11 ARG A 419 -8.997 -5.427 14.892 1.00 0.00 H new ATOM 0 HH12 ARG A 419 -10.121 -6.520 15.705 1.00 0.00 H new ATOM 0 HH21 ARG A 419 -9.726 -9.117 13.356 1.00 0.00 H new ATOM 0 HH22 ARG A 419 -10.532 -8.599 14.840 1.00 0.00 H new ATOM 764 N PRO A 420 -9.191 -8.270 8.398 1.00 0.00 N ATOM 765 CA PRO A 420 -10.400 -9.083 8.426 1.00 0.00 C ATOM 766 C PRO A 420 -10.728 -9.621 9.816 1.00 0.00 C ATOM 767 O PRO A 420 -9.889 -10.258 10.454 1.00 0.00 O ATOM 768 CB PRO A 420 -10.052 -10.222 7.478 1.00 0.00 C ATOM 769 CG PRO A 420 -9.045 -9.668 6.515 1.00 0.00 C ATOM 770 CD PRO A 420 -8.498 -8.390 7.105 1.00 0.00 C ATOM 0 HA PRO A 420 -11.285 -8.513 8.144 1.00 0.00 H new ATOM 0 HB2 PRO A 420 -9.643 -11.072 8.024 1.00 0.00 H new ATOM 0 HB3 PRO A 420 -10.939 -10.577 6.953 1.00 0.00 H new ATOM 0 HG2 PRO A 420 -8.242 -10.386 6.347 1.00 0.00 H new ATOM 0 HG3 PRO A 420 -9.508 -9.475 5.547 1.00 0.00 H new ATOM 0 HD2 PRO A 420 -7.417 -8.441 7.235 1.00 0.00 H new ATOM 0 HD3 PRO A 420 -8.702 -7.534 6.462 1.00 0.00 H new ATOM 778 N VAL A 421 -11.951 -9.361 10.283 1.00 0.00 N ATOM 779 CA VAL A 421 -12.364 -9.824 11.603 1.00 0.00 C ATOM 780 C VAL A 421 -12.300 -11.336 11.690 1.00 0.00 C ATOM 781 O VAL A 421 -13.230 -12.030 11.290 1.00 0.00 O ATOM 782 CB VAL A 421 -13.778 -9.346 11.989 1.00 0.00 C ATOM 783 CG1 VAL A 421 -14.118 -9.799 13.400 1.00 0.00 C ATOM 784 CG2 VAL A 421 -13.888 -7.835 11.862 1.00 0.00 C ATOM 0 H VAL A 421 -12.663 -8.839 9.772 1.00 0.00 H new ATOM 0 HA VAL A 421 -11.662 -9.385 12.312 1.00 0.00 H new ATOM 0 HB VAL A 421 -14.497 -9.792 11.302 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -15.119 -9.455 13.661 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -14.083 -10.887 13.451 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -13.396 -9.380 14.101 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -14.894 -7.519 12.139 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -13.163 -7.361 12.524 1.00 0.00 H new ATOM 0 HG23 VAL A 421 -13.686 -7.541 10.832 1.00 0.00 H new ATOM 794 N ASP A 422 -11.193 -11.845 12.220 1.00 0.00 N ATOM 795 CA ASP A 422 -11.003 -13.281 12.331 1.00 0.00 C ATOM 796 C ASP A 422 -11.142 -13.893 10.948 1.00 0.00 C ATOM 797 O ASP A 422 -11.344 -15.098 10.791 1.00 0.00 O ATOM 798 CB ASP A 422 -12.023 -13.895 13.294 1.00 0.00 C ATOM 799 CG ASP A 422 -11.417 -14.976 14.168 1.00 0.00 C ATOM 800 OD1 ASP A 422 -11.227 -16.105 13.669 1.00 0.00 O ATOM 801 OD2 ASP A 422 -11.132 -14.693 15.350 1.00 0.00 O ATOM 0 H ASP A 422 -10.419 -11.285 12.577 1.00 0.00 H new ATOM 0 HA ASP A 422 -10.010 -13.487 12.731 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -12.439 -13.111 13.927 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -12.850 -14.315 12.723 1.00 0.00 H new ATOM 806 N GLY A 423 -11.027 -13.024 9.946 1.00 0.00 N ATOM 807 CA GLY A 423 -11.159 -13.431 8.569 1.00 0.00 C ATOM 808 C GLY A 423 -12.489 -12.996 7.984 1.00 0.00 C ATOM 809 O GLY A 423 -13.039 -13.670 7.113 1.00 0.00 O ATOM 0 H GLY A 423 -10.841 -12.029 10.075 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -10.346 -13.003 7.983 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -11.067 -14.515 8.499 1.00 0.00 H new ATOM 813 N VAL A 424 -13.011 -11.862 8.465 1.00 0.00 N ATOM 814 CA VAL A 424 -14.292 -11.358 7.981 1.00 0.00 C ATOM 815 C VAL A 424 -14.124 -10.355 6.837 1.00 0.00 C ATOM 816 O VAL A 424 -14.241 -10.716 5.666 1.00 0.00 O ATOM 817 CB VAL A 424 -15.137 -10.722 9.107 1.00 0.00 C ATOM 818 CG1 VAL A 424 -16.284 -9.897 8.538 1.00 0.00 C ATOM 819 CG2 VAL A 424 -15.682 -11.797 10.035 1.00 0.00 C ATOM 0 H VAL A 424 -12.569 -11.285 9.181 1.00 0.00 H new ATOM 0 HA VAL A 424 -14.825 -12.230 7.602 1.00 0.00 H new ATOM 0 HB VAL A 424 -14.486 -10.057 9.675 1.00 0.00 H new ATOM 0 HG11 VAL A 424 -16.860 -9.463 9.355 1.00 0.00 H new ATOM 0 HG12 VAL A 424 -15.883 -9.099 7.912 1.00 0.00 H new ATOM 0 HG13 VAL A 424 -16.931 -10.538 7.939 1.00 0.00 H new ATOM 0 HG21 VAL A 424 -16.275 -11.332 10.822 1.00 0.00 H new ATOM 0 HG22 VAL A 424 -16.309 -12.484 9.467 1.00 0.00 H new ATOM 0 HG23 VAL A 424 -14.853 -12.347 10.482 1.00 0.00 H new ATOM 874 N GLY A 428 -9.910 -6.098 0.138 1.00 0.00 N ATOM 875 CA GLY A 428 -8.649 -5.571 -0.341 1.00 0.00 C ATOM 876 C GLY A 428 -7.595 -5.587 0.745 1.00 0.00 C ATOM 877 O GLY A 428 -6.715 -4.729 0.780 1.00 0.00 O ATOM 0 HA2 GLY A 428 -8.306 -6.160 -1.191 1.00 0.00 H new ATOM 0 HA3 GLY A 428 -8.791 -4.551 -0.697 1.00 0.00 H new ATOM 881 N CYS A 429 -7.705 -6.562 1.642 1.00 0.00 N ATOM 882 CA CYS A 429 -6.769 -6.715 2.752 1.00 0.00 C ATOM 883 C CYS A 429 -5.318 -6.638 2.272 1.00 0.00 C ATOM 884 O CYS A 429 -4.542 -5.811 2.751 1.00 0.00 O ATOM 885 CB CYS A 429 -7.030 -8.046 3.463 1.00 0.00 C ATOM 886 SG CYS A 429 -5.538 -8.950 3.936 1.00 0.00 S ATOM 0 H CYS A 429 -8.443 -7.266 1.621 1.00 0.00 H new ATOM 0 HA CYS A 429 -6.926 -5.895 3.452 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -7.623 -7.855 4.358 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -7.632 -8.679 2.811 1.00 0.00 H new ATOM 0 HG CYS A 429 -5.705 -9.477 5.113 1.00 0.00 H new ATOM 892 N GLY A 430 -4.963 -7.503 1.325 1.00 0.00 N ATOM 893 CA GLY A 430 -3.609 -7.523 0.787 1.00 0.00 C ATOM 894 C GLY A 430 -3.168 -6.185 0.215 1.00 0.00 C ATOM 895 O GLY A 430 -2.029 -6.040 -0.227 1.00 0.00 O ATOM 0 H GLY A 430 -5.592 -8.195 0.917 1.00 0.00 H new ATOM 0 HA2 GLY A 430 -2.917 -7.819 1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 430 -3.547 -8.282 0.007 1.00 0.00 H new ATOM 899 N LYS A 431 -4.073 -5.211 0.208 1.00 0.00 N ATOM 900 CA LYS A 431 -3.767 -3.878 -0.300 1.00 0.00 C ATOM 901 C LYS A 431 -3.992 -2.832 0.788 1.00 0.00 C ATOM 902 O LYS A 431 -5.108 -2.661 1.276 1.00 0.00 O ATOM 903 CB LYS A 431 -4.633 -3.557 -1.520 1.00 0.00 C ATOM 904 CG LYS A 431 -4.717 -4.694 -2.526 1.00 0.00 C ATOM 905 CD LYS A 431 -6.067 -4.722 -3.222 1.00 0.00 C ATOM 906 CE LYS A 431 -6.041 -3.936 -4.523 1.00 0.00 C ATOM 907 NZ LYS A 431 -7.361 -3.958 -5.214 1.00 0.00 N ATOM 0 H LYS A 431 -5.028 -5.321 0.550 1.00 0.00 H new ATOM 0 HA LYS A 431 -2.719 -3.857 -0.600 1.00 0.00 H new ATOM 0 HB2 LYS A 431 -5.639 -3.306 -1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 431 -4.232 -2.673 -2.016 1.00 0.00 H new ATOM 0 HG2 LYS A 431 -3.926 -4.584 -3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 431 -4.548 -5.644 -2.018 1.00 0.00 H new ATOM 0 HD2 LYS A 431 -6.351 -5.755 -3.425 1.00 0.00 H new ATOM 0 HD3 LYS A 431 -6.827 -4.307 -2.560 1.00 0.00 H new ATOM 0 HE2 LYS A 431 -5.756 -2.904 -4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 431 -5.279 -4.352 -5.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 -7.300 -3.411 -6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 -7.622 -4.941 -5.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 -8.084 -3.538 -4.595 1.00 0.00 H new ATOM 921 N ILE A 432 -2.924 -2.137 1.170 1.00 0.00 N ATOM 922 CA ILE A 432 -3.008 -1.116 2.208 1.00 0.00 C ATOM 923 C ILE A 432 -2.330 0.168 1.747 1.00 0.00 C ATOM 924 O ILE A 432 -1.810 0.230 0.633 1.00 0.00 O ATOM 925 CB ILE A 432 -2.384 -1.615 3.533 1.00 0.00 C ATOM 926 CG1 ILE A 432 -0.854 -1.680 3.426 1.00 0.00 C ATOM 927 CG2 ILE A 432 -2.956 -2.982 3.876 1.00 0.00 C ATOM 928 CD1 ILE A 432 -0.143 -2.119 4.686 1.00 0.00 C ATOM 0 H ILE A 432 -1.991 -2.263 0.776 1.00 0.00 H new ATOM 0 HA ILE A 432 -4.062 -0.907 2.392 1.00 0.00 H new ATOM 0 HB ILE A 432 -2.631 -0.912 4.329 1.00 0.00 H new ATOM 0 HG12 ILE A 432 -0.590 -2.365 2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 432 -0.483 -0.695 3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 432 -2.518 -3.336 4.809 1.00 0.00 H new ATOM 0 HG22 ILE A 432 -4.038 -2.906 3.989 1.00 0.00 H new ATOM 0 HG23 ILE A 432 -2.723 -3.685 3.076 1.00 0.00 H new ATOM 0 HD11 ILE A 432 0.933 -2.133 4.511 1.00 0.00 H new ATOM 0 HD12 ILE A 432 -0.370 -1.422 5.493 1.00 0.00 H new ATOM 0 HD13 ILE A 432 -0.479 -3.118 4.964 1.00 0.00 H new ATOM 940 N PHE A 433 -2.336 1.195 2.592 1.00 0.00 N ATOM 941 CA PHE A 433 -1.723 2.467 2.222 1.00 0.00 C ATOM 942 C PHE A 433 -1.573 3.391 3.426 1.00 0.00 C ATOM 943 O PHE A 433 -1.981 3.051 4.537 1.00 0.00 O ATOM 944 CB PHE A 433 -2.555 3.156 1.140 1.00 0.00 C ATOM 945 CG PHE A 433 -4.036 2.970 1.302 1.00 0.00 C ATOM 946 CD1 PHE A 433 -4.698 3.520 2.385 1.00 0.00 C ATOM 947 CD2 PHE A 433 -4.767 2.251 0.369 1.00 0.00 C ATOM 948 CE1 PHE A 433 -6.060 3.358 2.538 1.00 0.00 C ATOM 949 CE2 PHE A 433 -6.131 2.085 0.516 1.00 0.00 C ATOM 950 CZ PHE A 433 -6.780 2.640 1.602 1.00 0.00 C ATOM 0 H PHE A 433 -2.751 1.174 3.523 1.00 0.00 H new ATOM 0 HA PHE A 433 -0.726 2.254 1.836 1.00 0.00 H new ATOM 0 HB2 PHE A 433 -2.330 4.222 1.146 1.00 0.00 H new ATOM 0 HB3 PHE A 433 -2.255 2.772 0.165 1.00 0.00 H new ATOM 0 HD1 PHE A 433 -4.142 4.083 3.120 1.00 0.00 H new ATOM 0 HD2 PHE A 433 -4.265 1.816 -0.482 1.00 0.00 H new ATOM 0 HE1 PHE A 433 -6.563 3.792 3.389 1.00 0.00 H new ATOM 0 HE2 PHE A 433 -6.689 1.522 -0.217 1.00 0.00 H new ATOM 0 HZ PHE A 433 -7.846 2.513 1.719 1.00 0.00 H new ATOM 960 N VAL A 434 -0.988 4.564 3.191 1.00 0.00 N ATOM 961 CA VAL A 434 -0.775 5.542 4.253 1.00 0.00 C ATOM 962 C VAL A 434 -1.198 6.943 3.814 1.00 0.00 C ATOM 963 O VAL A 434 -0.974 7.342 2.671 1.00 0.00 O ATOM 964 CB VAL A 434 0.704 5.576 4.703 1.00 0.00 C ATOM 965 CG1 VAL A 434 1.244 4.168 4.884 1.00 0.00 C ATOM 966 CG2 VAL A 434 1.563 6.347 3.711 1.00 0.00 C ATOM 0 H VAL A 434 -0.653 4.859 2.274 1.00 0.00 H new ATOM 0 HA VAL A 434 -1.395 5.230 5.094 1.00 0.00 H new ATOM 0 HB VAL A 434 0.747 6.091 5.662 1.00 0.00 H new ATOM 0 HG11 VAL A 434 2.286 4.216 5.201 1.00 0.00 H new ATOM 0 HG12 VAL A 434 0.658 3.648 5.642 1.00 0.00 H new ATOM 0 HG13 VAL A 434 1.176 3.628 3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 434 2.598 6.354 4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 434 1.508 5.868 2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 434 1.199 7.372 3.634 1.00 0.00 H new ATOM 976 N GLU A 435 -1.826 7.677 4.726 1.00 0.00 N ATOM 977 CA GLU A 435 -2.259 9.036 4.448 1.00 0.00 C ATOM 978 C GLU A 435 -1.104 9.997 4.687 1.00 0.00 C ATOM 979 O GLU A 435 -0.699 10.223 5.828 1.00 0.00 O ATOM 980 CB GLU A 435 -3.452 9.416 5.329 1.00 0.00 C ATOM 981 CG GLU A 435 -3.769 10.904 5.321 1.00 0.00 C ATOM 982 CD GLU A 435 -5.255 11.186 5.434 1.00 0.00 C ATOM 983 OE1 GLU A 435 -5.767 11.223 6.573 1.00 0.00 O ATOM 984 OE2 GLU A 435 -5.906 11.373 4.384 1.00 0.00 O ATOM 0 H GLU A 435 -2.046 7.350 5.667 1.00 0.00 H new ATOM 0 HA GLU A 435 -2.572 9.098 3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 435 -4.330 8.865 4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 435 -3.251 9.102 6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 435 -3.248 11.387 6.148 1.00 0.00 H new ATOM 0 HG3 GLU A 435 -3.388 11.348 4.401 1.00 0.00 H new ATOM 991 N PHE A 436 -0.581 10.558 3.607 1.00 0.00 N ATOM 992 CA PHE A 436 0.539 11.481 3.697 1.00 0.00 C ATOM 993 C PHE A 436 0.066 12.918 3.894 1.00 0.00 C ATOM 994 O PHE A 436 -1.132 13.183 3.993 1.00 0.00 O ATOM 995 CB PHE A 436 1.387 11.395 2.428 1.00 0.00 C ATOM 996 CG PHE A 436 2.796 10.938 2.661 1.00 0.00 C ATOM 997 CD1 PHE A 436 3.056 9.745 3.314 1.00 0.00 C ATOM 998 CD2 PHE A 436 3.863 11.700 2.217 1.00 0.00 C ATOM 999 CE1 PHE A 436 4.353 9.320 3.520 1.00 0.00 C ATOM 1000 CE2 PHE A 436 5.163 11.282 2.418 1.00 0.00 C ATOM 1001 CZ PHE A 436 5.409 10.090 3.070 1.00 0.00 C ATOM 0 H PHE A 436 -0.915 10.390 2.658 1.00 0.00 H new ATOM 0 HA PHE A 436 1.136 11.196 4.563 1.00 0.00 H new ATOM 0 HB2 PHE A 436 0.906 10.711 1.729 1.00 0.00 H new ATOM 0 HB3 PHE A 436 1.409 12.375 1.952 1.00 0.00 H new ATOM 0 HD1 PHE A 436 2.234 9.140 3.666 1.00 0.00 H new ATOM 0 HD2 PHE A 436 3.676 12.633 1.707 1.00 0.00 H new ATOM 0 HE1 PHE A 436 4.542 8.388 4.032 1.00 0.00 H new ATOM 0 HE2 PHE A 436 5.986 11.886 2.066 1.00 0.00 H new ATOM 0 HZ PHE A 436 6.425 9.760 3.228 1.00 0.00 H new ATOM 1011 N THR A 437 1.024 13.841 3.946 1.00 0.00 N ATOM 1012 CA THR A 437 0.722 15.255 4.130 1.00 0.00 C ATOM 1013 C THR A 437 0.909 16.035 2.832 1.00 0.00 C ATOM 1014 O THR A 437 0.054 16.834 2.449 1.00 0.00 O ATOM 1015 CB THR A 437 1.616 15.885 5.216 1.00 0.00 C ATOM 1016 OG1 THR A 437 2.996 15.744 4.857 1.00 0.00 O ATOM 1017 CG2 THR A 437 1.371 15.234 6.569 1.00 0.00 C ATOM 0 H THR A 437 2.019 13.632 3.863 1.00 0.00 H new ATOM 0 HA THR A 437 -0.321 15.313 4.442 1.00 0.00 H new ATOM 0 HB THR A 437 1.365 16.943 5.290 1.00 0.00 H new ATOM 0 HG1 THR A 437 3.303 14.842 5.087 1.00 0.00 H new ATOM 0 HG21 THR A 437 2.014 15.697 7.317 1.00 0.00 H new ATOM 0 HG22 THR A 437 0.328 15.369 6.854 1.00 0.00 H new ATOM 0 HG23 THR A 437 1.595 14.169 6.506 1.00 0.00 H new ATOM 1025 N SER A 438 2.032 15.797 2.158 1.00 0.00 N ATOM 1026 CA SER A 438 2.333 16.486 0.906 1.00 0.00 C ATOM 1027 C SER A 438 2.813 15.507 -0.162 1.00 0.00 C ATOM 1028 O SER A 438 3.436 14.490 0.145 1.00 0.00 O ATOM 1029 CB SER A 438 3.392 17.567 1.136 1.00 0.00 C ATOM 1030 OG SER A 438 4.182 17.272 2.274 1.00 0.00 O ATOM 0 H SER A 438 2.747 15.134 2.457 1.00 0.00 H new ATOM 0 HA SER A 438 1.414 16.953 0.553 1.00 0.00 H new ATOM 0 HB2 SER A 438 4.031 17.648 0.257 1.00 0.00 H new ATOM 0 HB3 SER A 438 2.907 18.534 1.267 1.00 0.00 H new ATOM 0 HG SER A 438 4.852 17.976 2.399 1.00 0.00 H new ATOM 1036 N VAL A 439 2.525 15.830 -1.420 1.00 0.00 N ATOM 1037 CA VAL A 439 2.917 14.980 -2.537 1.00 0.00 C ATOM 1038 C VAL A 439 4.411 15.081 -2.824 1.00 0.00 C ATOM 1039 O VAL A 439 4.951 14.311 -3.617 1.00 0.00 O ATOM 1040 CB VAL A 439 2.142 15.338 -3.817 1.00 0.00 C ATOM 1041 CG1 VAL A 439 0.651 15.141 -3.607 1.00 0.00 C ATOM 1042 CG2 VAL A 439 2.443 16.766 -4.250 1.00 0.00 C ATOM 0 H VAL A 439 2.021 16.675 -1.690 1.00 0.00 H new ATOM 0 HA VAL A 439 2.677 13.958 -2.243 1.00 0.00 H new ATOM 0 HB VAL A 439 2.468 14.669 -4.614 1.00 0.00 H new ATOM 0 HG11 VAL A 439 0.118 15.399 -4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 439 0.454 14.100 -3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 439 0.310 15.783 -2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 439 1.884 16.997 -5.157 1.00 0.00 H new ATOM 0 HG22 VAL A 439 2.151 17.456 -3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 439 3.510 16.870 -4.445 1.00 0.00 H new ATOM 1052 N PHE A 440 5.077 16.033 -2.178 1.00 0.00 N ATOM 1053 CA PHE A 440 6.508 16.224 -2.377 1.00 0.00 C ATOM 1054 C PHE A 440 7.277 15.039 -1.814 1.00 0.00 C ATOM 1055 O PHE A 440 8.090 14.422 -2.506 1.00 0.00 O ATOM 1056 CB PHE A 440 6.976 17.521 -1.714 1.00 0.00 C ATOM 1057 CG PHE A 440 7.881 18.346 -2.584 1.00 0.00 C ATOM 1058 CD1 PHE A 440 7.357 19.157 -3.578 1.00 0.00 C ATOM 1059 CD2 PHE A 440 9.254 18.307 -2.410 1.00 0.00 C ATOM 1060 CE1 PHE A 440 8.189 19.915 -4.382 1.00 0.00 C ATOM 1061 CE2 PHE A 440 10.090 19.063 -3.210 1.00 0.00 C ATOM 1062 CZ PHE A 440 9.557 19.867 -4.197 1.00 0.00 C ATOM 0 H PHE A 440 4.651 16.681 -1.516 1.00 0.00 H new ATOM 0 HA PHE A 440 6.702 16.295 -3.447 1.00 0.00 H new ATOM 0 HB2 PHE A 440 6.104 18.116 -1.443 1.00 0.00 H new ATOM 0 HB3 PHE A 440 7.497 17.279 -0.788 1.00 0.00 H new ATOM 0 HD1 PHE A 440 6.288 19.198 -3.726 1.00 0.00 H new ATOM 0 HD2 PHE A 440 9.677 17.678 -1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 440 7.770 20.544 -5.154 1.00 0.00 H new ATOM 0 HE2 PHE A 440 11.159 19.025 -3.063 1.00 0.00 H new ATOM 0 HZ PHE A 440 10.209 20.458 -4.824 1.00 0.00 H new ATOM 1072 N ASP A 441 7.009 14.721 -0.554 1.00 0.00 N ATOM 1073 CA ASP A 441 7.661 13.601 0.103 1.00 0.00 C ATOM 1074 C ASP A 441 7.007 12.293 -0.329 1.00 0.00 C ATOM 1075 O ASP A 441 7.653 11.245 -0.371 1.00 0.00 O ATOM 1076 CB ASP A 441 7.584 13.757 1.621 1.00 0.00 C ATOM 1077 CG ASP A 441 8.139 15.086 2.096 1.00 0.00 C ATOM 1078 OD1 ASP A 441 9.338 15.348 1.860 1.00 0.00 O ATOM 1079 OD2 ASP A 441 7.376 15.866 2.703 1.00 0.00 O ATOM 0 H ASP A 441 6.343 15.225 0.032 1.00 0.00 H new ATOM 0 HA ASP A 441 8.711 13.584 -0.189 1.00 0.00 H new ATOM 0 HB2 ASP A 441 6.546 13.665 1.940 1.00 0.00 H new ATOM 0 HB3 ASP A 441 8.136 12.946 2.095 1.00 0.00 H new ATOM 1084 N CYS A 442 5.717 12.369 -0.656 1.00 0.00 N ATOM 1085 CA CYS A 442 4.969 11.198 -1.102 1.00 0.00 C ATOM 1086 C CYS A 442 5.551 10.661 -2.405 1.00 0.00 C ATOM 1087 O CYS A 442 5.601 9.451 -2.625 1.00 0.00 O ATOM 1088 CB CYS A 442 3.494 11.552 -1.295 1.00 0.00 C ATOM 1089 SG CYS A 442 2.348 10.265 -0.748 1.00 0.00 S ATOM 0 H CYS A 442 5.170 13.229 -0.620 1.00 0.00 H new ATOM 0 HA CYS A 442 5.049 10.426 -0.337 1.00 0.00 H new ATOM 0 HB2 CYS A 442 3.278 12.471 -0.751 1.00 0.00 H new ATOM 0 HB3 CYS A 442 3.316 11.757 -2.351 1.00 0.00 H new ATOM 0 HG CYS A 442 1.219 10.808 -0.402 1.00 0.00 H new ATOM 1095 N GLN A 443 5.992 11.575 -3.264 1.00 0.00 N ATOM 1096 CA GLN A 443 6.576 11.203 -4.547 1.00 0.00 C ATOM 1097 C GLN A 443 7.992 10.671 -4.357 1.00 0.00 C ATOM 1098 O GLN A 443 8.352 9.629 -4.904 1.00 0.00 O ATOM 1099 CB GLN A 443 6.593 12.408 -5.490 1.00 0.00 C ATOM 1100 CG GLN A 443 7.064 12.075 -6.896 1.00 0.00 C ATOM 1101 CD GLN A 443 7.895 13.184 -7.511 1.00 0.00 C ATOM 1102 OE1 GLN A 443 8.916 12.928 -8.149 1.00 0.00 O ATOM 1103 NE2 GLN A 443 7.460 14.425 -7.322 1.00 0.00 N ATOM 0 H GLN A 443 5.956 12.580 -3.094 1.00 0.00 H new ATOM 0 HA GLN A 443 5.964 10.416 -4.988 1.00 0.00 H new ATOM 0 HB2 GLN A 443 5.590 12.831 -5.543 1.00 0.00 H new ATOM 0 HB3 GLN A 443 7.242 13.177 -5.071 1.00 0.00 H new ATOM 0 HG2 GLN A 443 7.652 11.157 -6.870 1.00 0.00 H new ATOM 0 HG3 GLN A 443 6.198 11.881 -7.529 1.00 0.00 H new ATOM 0 HE21 GLN A 443 6.608 14.591 -6.786 1.00 0.00 H new ATOM 0 HE22 GLN A 443 7.978 15.212 -7.713 1.00 0.00 H new ATOM 1112 N LYS A 444 8.788 11.396 -3.576 1.00 0.00 N ATOM 1113 CA LYS A 444 10.167 10.998 -3.307 1.00 0.00 C ATOM 1114 C LYS A 444 10.211 9.678 -2.543 1.00 0.00 C ATOM 1115 O LYS A 444 11.258 9.034 -2.458 1.00 0.00 O ATOM 1116 CB LYS A 444 10.884 12.089 -2.507 1.00 0.00 C ATOM 1117 CG LYS A 444 12.392 11.916 -2.459 1.00 0.00 C ATOM 1118 CD LYS A 444 13.064 13.085 -1.757 1.00 0.00 C ATOM 1119 CE LYS A 444 13.541 14.132 -2.750 1.00 0.00 C ATOM 1120 NZ LYS A 444 14.710 14.897 -2.233 1.00 0.00 N ATOM 0 H LYS A 444 8.502 12.262 -3.118 1.00 0.00 H new ATOM 0 HA LYS A 444 10.676 10.862 -4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 444 10.652 13.060 -2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 444 10.495 12.096 -1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 444 12.637 10.989 -1.940 1.00 0.00 H new ATOM 0 HG3 LYS A 444 12.782 11.826 -3.473 1.00 0.00 H new ATOM 0 HD2 LYS A 444 12.365 13.540 -1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 444 13.911 12.723 -1.174 1.00 0.00 H new ATOM 0 HE2 LYS A 444 13.811 13.646 -3.688 1.00 0.00 H new ATOM 0 HE3 LYS A 444 12.726 14.821 -2.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 444 15.005 15.601 -2.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 444 14.446 15.381 -1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 444 15.497 14.244 -2.046 1.00 0.00 H new ATOM 1134 N ALA A 445 9.069 9.281 -1.991 1.00 0.00 N ATOM 1135 CA ALA A 445 8.979 8.040 -1.230 1.00 0.00 C ATOM 1136 C ALA A 445 8.737 6.840 -2.140 1.00 0.00 C ATOM 1137 O ALA A 445 9.559 5.928 -2.208 1.00 0.00 O ATOM 1138 CB ALA A 445 7.875 8.141 -0.189 1.00 0.00 C ATOM 0 H ALA A 445 8.194 9.800 -2.056 1.00 0.00 H new ATOM 0 HA ALA A 445 9.934 7.889 -0.727 1.00 0.00 H new ATOM 0 HB1 ALA A 445 7.818 7.208 0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 445 8.092 8.963 0.493 1.00 0.00 H new ATOM 0 HB3 ALA A 445 6.922 8.324 -0.686 1.00 0.00 H new ATOM 1144 N MET A 446 7.604 6.847 -2.837 1.00 0.00 N ATOM 1145 CA MET A 446 7.241 5.751 -3.732 1.00 0.00 C ATOM 1146 C MET A 446 8.319 5.499 -4.786 1.00 0.00 C ATOM 1147 O MET A 446 8.518 4.365 -5.222 1.00 0.00 O ATOM 1148 CB MET A 446 5.901 6.045 -4.414 1.00 0.00 C ATOM 1149 CG MET A 446 6.007 7.007 -5.587 1.00 0.00 C ATOM 1150 SD MET A 446 4.491 7.942 -5.858 1.00 0.00 S ATOM 1151 CE MET A 446 3.657 6.897 -7.049 1.00 0.00 C ATOM 0 H MET A 446 6.919 7.602 -2.799 1.00 0.00 H new ATOM 0 HA MET A 446 7.149 4.849 -3.126 1.00 0.00 H new ATOM 0 HB2 MET A 446 5.468 5.107 -4.763 1.00 0.00 H new ATOM 0 HB3 MET A 446 5.212 6.459 -3.678 1.00 0.00 H new ATOM 0 HG2 MET A 446 6.830 7.700 -5.410 1.00 0.00 H new ATOM 0 HG3 MET A 446 6.250 6.447 -6.490 1.00 0.00 H new ATOM 0 HE1 MET A 446 2.598 7.153 -7.079 1.00 0.00 H new ATOM 0 HE2 MET A 446 4.095 7.049 -8.036 1.00 0.00 H new ATOM 0 HE3 MET A 446 3.770 5.852 -6.759 1.00 0.00 H new ATOM 1161 N GLN A 447 9.012 6.558 -5.193 1.00 0.00 N ATOM 1162 CA GLN A 447 10.060 6.442 -6.202 1.00 0.00 C ATOM 1163 C GLN A 447 11.197 5.546 -5.719 1.00 0.00 C ATOM 1164 O GLN A 447 11.932 4.973 -6.525 1.00 0.00 O ATOM 1165 CB GLN A 447 10.606 7.824 -6.564 1.00 0.00 C ATOM 1166 CG GLN A 447 11.083 7.930 -8.003 1.00 0.00 C ATOM 1167 CD GLN A 447 9.939 8.054 -8.990 1.00 0.00 C ATOM 1168 OE1 GLN A 447 9.749 7.193 -9.849 1.00 0.00 O ATOM 1169 NE2 GLN A 447 9.170 9.130 -8.872 1.00 0.00 N ATOM 0 H GLN A 447 8.867 7.504 -4.841 1.00 0.00 H new ATOM 0 HA GLN A 447 9.619 5.987 -7.089 1.00 0.00 H new ATOM 0 HB2 GLN A 447 9.830 8.569 -6.391 1.00 0.00 H new ATOM 0 HB3 GLN A 447 11.433 8.065 -5.897 1.00 0.00 H new ATOM 0 HG2 GLN A 447 11.738 8.796 -8.102 1.00 0.00 H new ATOM 0 HG3 GLN A 447 11.677 7.050 -8.250 1.00 0.00 H new ATOM 0 HE21 GLN A 447 9.364 9.818 -8.145 1.00 0.00 H new ATOM 0 HE22 GLN A 447 8.385 9.268 -9.508 1.00 0.00 H new ATOM 1178 N GLY A 448 11.339 5.429 -4.402 1.00 0.00 N ATOM 1179 CA GLY A 448 12.391 4.601 -3.840 1.00 0.00 C ATOM 1180 C GLY A 448 11.864 3.318 -3.229 1.00 0.00 C ATOM 1181 O GLY A 448 12.614 2.566 -2.608 1.00 0.00 O ATOM 0 H GLY A 448 10.745 5.892 -3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 448 13.112 4.357 -4.621 1.00 0.00 H new ATOM 0 HA3 GLY A 448 12.926 5.168 -3.078 1.00 0.00 H new ATOM 1185 N LEU A 449 10.570 3.065 -3.406 1.00 0.00 N ATOM 1186 CA LEU A 449 9.944 1.863 -2.866 1.00 0.00 C ATOM 1187 C LEU A 449 9.497 0.931 -3.988 1.00 0.00 C ATOM 1188 O LEU A 449 9.214 -0.245 -3.756 1.00 0.00 O ATOM 1189 CB LEU A 449 8.750 2.235 -1.986 1.00 0.00 C ATOM 1190 CG LEU A 449 9.071 3.174 -0.821 1.00 0.00 C ATOM 1191 CD1 LEU A 449 7.792 3.652 -0.152 1.00 0.00 C ATOM 1192 CD2 LEU A 449 9.978 2.483 0.187 1.00 0.00 C ATOM 0 H LEU A 449 9.935 3.677 -3.919 1.00 0.00 H new ATOM 0 HA LEU A 449 10.683 1.340 -2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 449 7.989 2.703 -2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 449 8.314 1.320 -1.585 1.00 0.00 H new ATOM 0 HG LEU A 449 9.596 4.044 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 449 8.041 4.319 0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 449 7.179 4.187 -0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 449 7.238 2.794 0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 449 10.196 3.166 1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 449 9.480 1.595 0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 449 10.909 2.193 -0.300 1.00 0.00 H new ATOM 1204 N THR A 450 9.434 1.466 -5.203 1.00 0.00 N ATOM 1205 CA THR A 450 9.023 0.684 -6.363 1.00 0.00 C ATOM 1206 C THR A 450 10.170 -0.181 -6.879 1.00 0.00 C ATOM 1207 O THR A 450 11.100 0.319 -7.513 1.00 0.00 O ATOM 1208 CB THR A 450 8.527 1.593 -7.503 1.00 0.00 C ATOM 1209 OG1 THR A 450 7.580 2.542 -6.997 1.00 0.00 O ATOM 1210 CG2 THR A 450 7.886 0.774 -8.613 1.00 0.00 C ATOM 0 H THR A 450 9.662 2.438 -5.410 1.00 0.00 H new ATOM 0 HA THR A 450 8.205 0.040 -6.038 1.00 0.00 H new ATOM 0 HB THR A 450 9.387 2.121 -7.914 1.00 0.00 H new ATOM 0 HG1 THR A 450 7.128 2.167 -6.212 1.00 0.00 H new ATOM 0 HG21 THR A 450 7.544 1.440 -9.406 1.00 0.00 H new ATOM 0 HG22 THR A 450 8.617 0.074 -9.017 1.00 0.00 H new ATOM 0 HG23 THR A 450 7.037 0.221 -8.213 1.00 0.00 H new ATOM 1218 N GLY A 451 10.097 -1.481 -6.600 1.00 0.00 N ATOM 1219 CA GLY A 451 11.134 -2.394 -7.048 1.00 0.00 C ATOM 1220 C GLY A 451 11.898 -3.024 -5.899 1.00 0.00 C ATOM 1221 O GLY A 451 12.810 -3.823 -6.117 1.00 0.00 O ATOM 0 H GLY A 451 9.340 -1.917 -6.073 1.00 0.00 H new ATOM 0 HA2 GLY A 451 10.683 -3.180 -7.653 1.00 0.00 H new ATOM 0 HA3 GLY A 451 11.831 -1.857 -7.691 1.00 0.00 H new ATOM 1225 N ARG A 452 11.529 -2.664 -4.674 1.00 0.00 N ATOM 1226 CA ARG A 452 12.187 -3.203 -3.489 1.00 0.00 C ATOM 1227 C ARG A 452 11.590 -4.556 -3.103 1.00 0.00 C ATOM 1228 O ARG A 452 11.088 -5.286 -3.958 1.00 0.00 O ATOM 1229 CB ARG A 452 12.070 -2.218 -2.323 1.00 0.00 C ATOM 1230 CG ARG A 452 12.414 -0.785 -2.695 1.00 0.00 C ATOM 1231 CD ARG A 452 13.900 -0.618 -2.969 1.00 0.00 C ATOM 1232 NE ARG A 452 14.712 -0.894 -1.786 1.00 0.00 N ATOM 1233 CZ ARG A 452 15.595 -0.040 -1.279 1.00 0.00 C ATOM 1234 NH1 ARG A 452 15.777 1.148 -1.840 1.00 0.00 N ATOM 1235 NH2 ARG A 452 16.299 -0.374 -0.205 1.00 0.00 N ATOM 0 H ARG A 452 10.779 -2.002 -4.476 1.00 0.00 H new ATOM 0 HA ARG A 452 13.242 -3.350 -3.721 1.00 0.00 H new ATOM 0 HB2 ARG A 452 11.052 -2.248 -1.934 1.00 0.00 H new ATOM 0 HB3 ARG A 452 12.729 -2.543 -1.517 1.00 0.00 H new ATOM 0 HG2 ARG A 452 11.846 -0.491 -3.578 1.00 0.00 H new ATOM 0 HG3 ARG A 452 12.115 -0.117 -1.887 1.00 0.00 H new ATOM 0 HD2 ARG A 452 14.197 -1.288 -3.776 1.00 0.00 H new ATOM 0 HD3 ARG A 452 14.093 0.399 -3.311 1.00 0.00 H new ATOM 0 HE ARG A 452 14.594 -1.795 -1.322 1.00 0.00 H new ATOM 0 HH11 ARG A 452 15.238 1.410 -2.665 1.00 0.00 H new ATOM 0 HH12 ARG A 452 16.456 1.799 -1.446 1.00 0.00 H new ATOM 0 HH21 ARG A 452 16.162 -1.286 0.231 1.00 0.00 H new ATOM 0 HH22 ARG A 452 16.977 0.281 0.184 1.00 0.00 H new ATOM 1249 N LYS A 453 11.647 -4.887 -1.815 1.00 0.00 N ATOM 1250 CA LYS A 453 11.111 -6.154 -1.325 1.00 0.00 C ATOM 1251 C LYS A 453 10.765 -6.058 0.158 1.00 0.00 C ATOM 1252 O LYS A 453 11.653 -6.029 1.009 1.00 0.00 O ATOM 1253 CB LYS A 453 12.122 -7.280 -1.553 1.00 0.00 C ATOM 1254 CG LYS A 453 11.594 -8.405 -2.428 1.00 0.00 C ATOM 1255 CD LYS A 453 12.724 -9.140 -3.131 1.00 0.00 C ATOM 1256 CE LYS A 453 12.539 -9.131 -4.640 1.00 0.00 C ATOM 1257 NZ LYS A 453 13.496 -8.207 -5.310 1.00 0.00 N ATOM 0 H LYS A 453 12.059 -4.296 -1.093 1.00 0.00 H new ATOM 0 HA LYS A 453 10.199 -6.376 -1.880 1.00 0.00 H new ATOM 0 HB2 LYS A 453 13.019 -6.864 -2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 453 12.419 -7.691 -0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 453 11.026 -9.107 -1.817 1.00 0.00 H new ATOM 0 HG3 LYS A 453 10.906 -7.999 -3.169 1.00 0.00 H new ATOM 0 HD2 LYS A 453 13.676 -8.674 -2.877 1.00 0.00 H new ATOM 0 HD3 LYS A 453 12.768 -10.169 -2.775 1.00 0.00 H new ATOM 0 HE2 LYS A 453 12.676 -10.140 -5.029 1.00 0.00 H new ATOM 0 HE3 LYS A 453 11.518 -8.833 -4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 13.338 -8.229 -6.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 13.349 -7.240 -4.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 14.470 -8.506 -5.103 1.00 0.00 H new ATOM 1271 N PHE A 454 9.471 -6.017 0.459 1.00 0.00 N ATOM 1272 CA PHE A 454 9.010 -5.918 1.841 1.00 0.00 C ATOM 1273 C PHE A 454 9.589 -7.043 2.691 1.00 0.00 C ATOM 1274 O PHE A 454 9.931 -6.840 3.854 1.00 0.00 O ATOM 1275 CB PHE A 454 7.480 -5.957 1.896 1.00 0.00 C ATOM 1276 CG PHE A 454 6.927 -5.992 3.292 1.00 0.00 C ATOM 1277 CD1 PHE A 454 6.901 -4.846 4.073 1.00 0.00 C ATOM 1278 CD2 PHE A 454 6.433 -7.172 3.827 1.00 0.00 C ATOM 1279 CE1 PHE A 454 6.392 -4.877 5.357 1.00 0.00 C ATOM 1280 CE2 PHE A 454 5.924 -7.208 5.111 1.00 0.00 C ATOM 1281 CZ PHE A 454 5.903 -6.059 5.877 1.00 0.00 C ATOM 0 H PHE A 454 8.723 -6.051 -0.234 1.00 0.00 H new ATOM 0 HA PHE A 454 9.357 -4.967 2.245 1.00 0.00 H new ATOM 0 HB2 PHE A 454 7.084 -5.082 1.380 1.00 0.00 H new ATOM 0 HB3 PHE A 454 7.128 -6.834 1.353 1.00 0.00 H new ATOM 0 HD1 PHE A 454 7.283 -3.919 3.673 1.00 0.00 H new ATOM 0 HD2 PHE A 454 6.446 -8.074 3.233 1.00 0.00 H new ATOM 0 HE1 PHE A 454 6.377 -3.977 5.954 1.00 0.00 H new ATOM 0 HE2 PHE A 454 5.543 -8.134 5.515 1.00 0.00 H new ATOM 0 HZ PHE A 454 5.505 -6.085 6.881 1.00 0.00 H new ATOM 1291 N ALA A 455 9.697 -8.228 2.102 1.00 0.00 N ATOM 1292 CA ALA A 455 10.235 -9.382 2.810 1.00 0.00 C ATOM 1293 C ALA A 455 10.700 -10.456 1.833 1.00 0.00 C ATOM 1294 O ALA A 455 11.748 -11.072 2.025 1.00 0.00 O ATOM 1295 CB ALA A 455 9.194 -9.942 3.767 1.00 0.00 C ATOM 0 H ALA A 455 9.420 -8.414 1.138 1.00 0.00 H new ATOM 0 HA ALA A 455 11.102 -9.057 3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 455 9.607 -10.804 4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 455 8.917 -9.176 4.491 1.00 0.00 H new ATOM 0 HB3 ALA A 455 8.311 -10.248 3.206 1.00 0.00 H new ATOM 1301 N ASN A 456 9.912 -10.675 0.785 1.00 0.00 N ATOM 1302 CA ASN A 456 10.244 -11.673 -0.226 1.00 0.00 C ATOM 1303 C ASN A 456 9.402 -11.477 -1.483 1.00 0.00 C ATOM 1304 O ASN A 456 9.211 -12.408 -2.266 1.00 0.00 O ATOM 1305 CB ASN A 456 10.035 -13.083 0.331 1.00 0.00 C ATOM 1306 CG ASN A 456 11.264 -13.956 0.171 1.00 0.00 C ATOM 1307 OD1 ASN A 456 11.901 -14.335 1.154 1.00 0.00 O ATOM 1308 ND2 ASN A 456 11.603 -14.279 -1.072 1.00 0.00 N ATOM 0 H ASN A 456 9.040 -10.175 0.614 1.00 0.00 H new ATOM 0 HA ASN A 456 11.293 -11.548 -0.493 1.00 0.00 H new ATOM 0 HB2 ASN A 456 9.774 -13.018 1.387 1.00 0.00 H new ATOM 0 HB3 ASN A 456 9.192 -13.550 -0.178 1.00 0.00 H new ATOM 0 HD21 ASN A 456 12.421 -14.864 -1.242 1.00 0.00 H new ATOM 0 HD22 ASN A 456 11.045 -13.942 -1.857 1.00 0.00 H new ATOM 1315 N ARG A 457 8.901 -10.259 -1.669 1.00 0.00 N ATOM 1316 CA ARG A 457 8.081 -9.934 -2.830 1.00 0.00 C ATOM 1317 C ARG A 457 8.232 -8.464 -3.193 1.00 0.00 C ATOM 1318 O ARG A 457 8.379 -7.611 -2.318 1.00 0.00 O ATOM 1319 CB ARG A 457 6.604 -10.259 -2.568 1.00 0.00 C ATOM 1320 CG ARG A 457 6.277 -10.568 -1.114 1.00 0.00 C ATOM 1321 CD ARG A 457 5.869 -9.315 -0.354 1.00 0.00 C ATOM 1322 NE ARG A 457 4.538 -9.442 0.235 1.00 0.00 N ATOM 1323 CZ ARG A 457 3.415 -9.480 -0.476 1.00 0.00 C ATOM 1324 NH1 ARG A 457 3.458 -9.398 -1.799 1.00 0.00 N ATOM 1325 NH2 ARG A 457 2.246 -9.599 0.138 1.00 0.00 N ATOM 0 H ARG A 457 9.050 -9.479 -1.028 1.00 0.00 H new ATOM 0 HA ARG A 457 8.426 -10.543 -3.665 1.00 0.00 H new ATOM 0 HB2 ARG A 457 5.996 -9.415 -2.893 1.00 0.00 H new ATOM 0 HB3 ARG A 457 6.318 -11.113 -3.182 1.00 0.00 H new ATOM 0 HG2 ARG A 457 5.471 -11.300 -1.069 1.00 0.00 H new ATOM 0 HG3 ARG A 457 7.145 -11.020 -0.633 1.00 0.00 H new ATOM 0 HD2 ARG A 457 6.596 -9.115 0.433 1.00 0.00 H new ATOM 0 HD3 ARG A 457 5.887 -8.459 -1.029 1.00 0.00 H new ATOM 0 HE ARG A 457 4.466 -9.505 1.250 1.00 0.00 H new ATOM 0 HH11 ARG A 457 4.355 -9.305 -2.275 1.00 0.00 H new ATOM 0 HH12 ARG A 457 2.594 -9.428 -2.340 1.00 0.00 H new ATOM 0 HH21 ARG A 457 2.208 -9.661 1.155 1.00 0.00 H new ATOM 0 HH22 ARG A 457 1.384 -9.628 -0.407 1.00 0.00 H new ATOM 1339 N VAL A 458 8.192 -8.171 -4.488 1.00 0.00 N ATOM 1340 CA VAL A 458 8.336 -6.798 -4.961 1.00 0.00 C ATOM 1341 C VAL A 458 7.177 -5.928 -4.489 1.00 0.00 C ATOM 1342 O VAL A 458 6.012 -6.307 -4.612 1.00 0.00 O ATOM 1343 CB VAL A 458 8.429 -6.721 -6.499 1.00 0.00 C ATOM 1344 CG1 VAL A 458 9.381 -5.610 -6.911 1.00 0.00 C ATOM 1345 CG2 VAL A 458 8.874 -8.052 -7.090 1.00 0.00 C ATOM 0 H VAL A 458 8.062 -8.862 -5.227 1.00 0.00 H new ATOM 0 HA VAL A 458 9.268 -6.424 -4.537 1.00 0.00 H new ATOM 0 HB VAL A 458 7.436 -6.498 -6.890 1.00 0.00 H new ATOM 0 HG11 VAL A 458 9.439 -5.565 -7.999 1.00 0.00 H new ATOM 0 HG12 VAL A 458 9.016 -4.657 -6.527 1.00 0.00 H new ATOM 0 HG13 VAL A 458 10.372 -5.810 -6.503 1.00 0.00 H new ATOM 0 HG21 VAL A 458 8.931 -7.967 -8.175 1.00 0.00 H new ATOM 0 HG22 VAL A 458 9.855 -8.316 -6.695 1.00 0.00 H new ATOM 0 HG23 VAL A 458 8.155 -8.827 -6.823 1.00 0.00 H new ATOM 1355 N VAL A 459 7.508 -4.759 -3.949 1.00 0.00 N ATOM 1356 CA VAL A 459 6.499 -3.829 -3.454 1.00 0.00 C ATOM 1357 C VAL A 459 6.123 -2.807 -4.521 1.00 0.00 C ATOM 1358 O VAL A 459 6.982 -2.100 -5.047 1.00 0.00 O ATOM 1359 CB VAL A 459 6.990 -3.082 -2.198 1.00 0.00 C ATOM 1360 CG1 VAL A 459 5.812 -2.600 -1.367 1.00 0.00 C ATOM 1361 CG2 VAL A 459 7.906 -3.968 -1.369 1.00 0.00 C ATOM 0 H VAL A 459 8.469 -4.433 -3.843 1.00 0.00 H new ATOM 0 HA VAL A 459 5.622 -4.423 -3.196 1.00 0.00 H new ATOM 0 HB VAL A 459 7.560 -2.211 -2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 459 6.179 -2.075 -0.485 1.00 0.00 H new ATOM 0 HG12 VAL A 459 5.199 -1.923 -1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 459 5.212 -3.455 -1.057 1.00 0.00 H new ATOM 0 HG21 VAL A 459 8.241 -3.421 -0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 459 7.364 -4.861 -1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 459 8.770 -4.258 -1.966 1.00 0.00 H new ATOM 1371 N VAL A 460 4.833 -2.737 -4.837 1.00 0.00 N ATOM 1372 CA VAL A 460 4.341 -1.799 -5.840 1.00 0.00 C ATOM 1373 C VAL A 460 3.614 -0.629 -5.185 1.00 0.00 C ATOM 1374 O VAL A 460 2.557 -0.802 -4.576 1.00 0.00 O ATOM 1375 CB VAL A 460 3.401 -2.494 -6.846 1.00 0.00 C ATOM 1376 CG1 VAL A 460 2.366 -3.331 -6.116 1.00 0.00 C ATOM 1377 CG2 VAL A 460 2.729 -1.473 -7.754 1.00 0.00 C ATOM 0 H VAL A 460 4.110 -3.318 -4.413 1.00 0.00 H new ATOM 0 HA VAL A 460 5.209 -1.420 -6.379 1.00 0.00 H new ATOM 0 HB VAL A 460 3.999 -3.157 -7.471 1.00 0.00 H new ATOM 0 HG11 VAL A 460 1.711 -3.814 -6.841 1.00 0.00 H new ATOM 0 HG12 VAL A 460 2.869 -4.091 -5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 460 1.774 -2.689 -5.464 1.00 0.00 H new ATOM 0 HG21 VAL A 460 2.071 -1.987 -8.455 1.00 0.00 H new ATOM 0 HG22 VAL A 460 2.145 -0.778 -7.151 1.00 0.00 H new ATOM 0 HG23 VAL A 460 3.489 -0.922 -8.308 1.00 0.00 H new ATOM 1387 N THR A 461 4.190 0.562 -5.310 1.00 0.00 N ATOM 1388 CA THR A 461 3.599 1.761 -4.729 1.00 0.00 C ATOM 1389 C THR A 461 2.830 2.558 -5.776 1.00 0.00 C ATOM 1390 O THR A 461 3.049 2.396 -6.977 1.00 0.00 O ATOM 1391 CB THR A 461 4.671 2.667 -4.096 1.00 0.00 C ATOM 1392 OG1 THR A 461 5.740 2.884 -5.024 1.00 0.00 O ATOM 1393 CG2 THR A 461 5.219 2.047 -2.820 1.00 0.00 C ATOM 0 H THR A 461 5.065 0.722 -5.808 1.00 0.00 H new ATOM 0 HA THR A 461 2.911 1.428 -3.952 1.00 0.00 H new ATOM 0 HB THR A 461 4.207 3.621 -3.847 1.00 0.00 H new ATOM 0 HG1 THR A 461 6.504 3.281 -4.556 1.00 0.00 H new ATOM 0 HG21 THR A 461 5.975 2.705 -2.391 1.00 0.00 H new ATOM 0 HG22 THR A 461 4.408 1.911 -2.104 1.00 0.00 H new ATOM 0 HG23 THR A 461 5.668 1.080 -3.049 1.00 0.00 H new ATOM 1401 N LYS A 462 1.930 3.419 -5.312 1.00 0.00 N ATOM 1402 CA LYS A 462 1.127 4.242 -6.207 1.00 0.00 C ATOM 1403 C LYS A 462 0.616 5.485 -5.487 1.00 0.00 C ATOM 1404 O LYS A 462 1.058 5.803 -4.383 1.00 0.00 O ATOM 1405 CB LYS A 462 -0.054 3.435 -6.752 1.00 0.00 C ATOM 1406 CG LYS A 462 0.191 2.853 -8.136 1.00 0.00 C ATOM 1407 CD LYS A 462 -0.544 3.641 -9.208 1.00 0.00 C ATOM 1408 CE LYS A 462 -0.583 2.886 -10.526 1.00 0.00 C ATOM 1409 NZ LYS A 462 0.559 3.250 -11.409 1.00 0.00 N ATOM 0 H LYS A 462 1.739 3.564 -4.321 1.00 0.00 H new ATOM 0 HA LYS A 462 1.759 4.557 -7.038 1.00 0.00 H new ATOM 0 HB2 LYS A 462 -0.278 2.623 -6.060 1.00 0.00 H new ATOM 0 HB3 LYS A 462 -0.935 4.076 -6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 462 1.260 2.856 -8.349 1.00 0.00 H new ATOM 0 HG3 LYS A 462 -0.136 1.813 -8.158 1.00 0.00 H new ATOM 0 HD2 LYS A 462 -1.561 3.848 -8.876 1.00 0.00 H new ATOM 0 HD3 LYS A 462 -0.054 4.604 -9.353 1.00 0.00 H new ATOM 0 HE2 LYS A 462 -0.563 1.814 -10.331 1.00 0.00 H new ATOM 0 HE3 LYS A 462 -1.521 3.099 -11.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 0.496 2.713 -12.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 0.526 4.269 -11.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 1.454 3.023 -10.930 1.00 0.00 H new ATOM 1423 N TYR A 463 -0.318 6.183 -6.123 1.00 0.00 N ATOM 1424 CA TYR A 463 -0.899 7.392 -5.551 1.00 0.00 C ATOM 1425 C TYR A 463 -2.402 7.221 -5.353 1.00 0.00 C ATOM 1426 O TYR A 463 -3.070 6.572 -6.159 1.00 0.00 O ATOM 1427 CB TYR A 463 -0.625 8.592 -6.462 1.00 0.00 C ATOM 1428 CG TYR A 463 0.474 9.506 -5.966 1.00 0.00 C ATOM 1429 CD1 TYR A 463 0.453 10.020 -4.674 1.00 0.00 C ATOM 1430 CD2 TYR A 463 1.534 9.859 -6.793 1.00 0.00 C ATOM 1431 CE1 TYR A 463 1.456 10.858 -4.222 1.00 0.00 C ATOM 1432 CE2 TYR A 463 2.539 10.696 -6.349 1.00 0.00 C ATOM 1433 CZ TYR A 463 2.496 11.193 -5.064 1.00 0.00 C ATOM 1434 OH TYR A 463 3.494 12.028 -4.619 1.00 0.00 O ATOM 0 H TYR A 463 -0.690 5.931 -7.039 1.00 0.00 H new ATOM 0 HA TYR A 463 -0.437 7.570 -4.580 1.00 0.00 H new ATOM 0 HB2 TYR A 463 -0.360 8.228 -7.455 1.00 0.00 H new ATOM 0 HB3 TYR A 463 -1.543 9.170 -6.569 1.00 0.00 H new ATOM 0 HD1 TYR A 463 -0.360 9.760 -4.012 1.00 0.00 H new ATOM 0 HD2 TYR A 463 1.572 9.472 -7.801 1.00 0.00 H new ATOM 0 HE1 TYR A 463 1.425 11.248 -3.215 1.00 0.00 H new ATOM 0 HE2 TYR A 463 3.355 10.960 -7.006 1.00 0.00 H new ATOM 0 HH TYR A 463 3.486 12.856 -5.143 1.00 0.00 H new ATOM 1444 N CYS A 464 -2.931 7.805 -4.282 1.00 0.00 N ATOM 1445 CA CYS A 464 -4.358 7.706 -3.988 1.00 0.00 C ATOM 1446 C CYS A 464 -4.921 9.046 -3.518 1.00 0.00 C ATOM 1447 O CYS A 464 -4.216 9.853 -2.904 1.00 0.00 O ATOM 1448 CB CYS A 464 -4.611 6.627 -2.933 1.00 0.00 C ATOM 1449 SG CYS A 464 -4.529 4.938 -3.571 1.00 0.00 S ATOM 0 H CYS A 464 -2.396 8.350 -3.605 1.00 0.00 H new ATOM 0 HA CYS A 464 -4.871 7.428 -4.909 1.00 0.00 H new ATOM 0 HB2 CYS A 464 -3.879 6.738 -2.133 1.00 0.00 H new ATOM 0 HB3 CYS A 464 -5.594 6.790 -2.491 1.00 0.00 H new ATOM 0 HG CYS A 464 -3.987 4.946 -4.753 1.00 0.00 H new ATOM 1455 N ASP A 465 -6.198 9.272 -3.814 1.00 0.00 N ATOM 1456 CA ASP A 465 -6.868 10.512 -3.437 1.00 0.00 C ATOM 1457 C ASP A 465 -7.333 10.471 -1.981 1.00 0.00 C ATOM 1458 O ASP A 465 -8.013 9.530 -1.572 1.00 0.00 O ATOM 1459 CB ASP A 465 -8.066 10.763 -4.353 1.00 0.00 C ATOM 1460 CG ASP A 465 -7.784 11.831 -5.393 1.00 0.00 C ATOM 1461 OD1 ASP A 465 -7.798 13.028 -5.034 1.00 0.00 O ATOM 1462 OD2 ASP A 465 -7.549 11.471 -6.565 1.00 0.00 O ATOM 0 H ASP A 465 -6.791 8.610 -4.315 1.00 0.00 H new ATOM 0 HA ASP A 465 -6.151 11.325 -3.545 1.00 0.00 H new ATOM 0 HB2 ASP A 465 -8.338 9.834 -4.854 1.00 0.00 H new ATOM 0 HB3 ASP A 465 -8.924 11.063 -3.751 1.00 0.00 H new ATOM 1467 N PRO A 466 -6.968 11.491 -1.176 1.00 0.00 N ATOM 1468 CA PRO A 466 -7.364 11.569 0.234 1.00 0.00 C ATOM 1469 C PRO A 466 -8.874 11.456 0.412 1.00 0.00 C ATOM 1470 O PRO A 466 -9.353 10.968 1.436 1.00 0.00 O ATOM 1471 CB PRO A 466 -6.878 12.956 0.683 1.00 0.00 C ATOM 1472 CG PRO A 466 -6.525 13.684 -0.567 1.00 0.00 C ATOM 1473 CD PRO A 466 -6.136 12.637 -1.564 1.00 0.00 C ATOM 0 HA PRO A 466 -6.938 10.752 0.816 1.00 0.00 H new ATOM 0 HB2 PRO A 466 -7.655 13.483 1.237 1.00 0.00 H new ATOM 0 HB3 PRO A 466 -6.016 12.873 1.345 1.00 0.00 H new ATOM 0 HG2 PRO A 466 -7.370 14.270 -0.928 1.00 0.00 H new ATOM 0 HG3 PRO A 466 -5.705 14.380 -0.394 1.00 0.00 H new ATOM 0 HD2 PRO A 466 -6.340 12.957 -2.586 1.00 0.00 H new ATOM 0 HD3 PRO A 466 -5.073 12.402 -1.509 1.00 0.00 H new ATOM 1481 N ASP A 467 -9.617 11.912 -0.592 1.00 0.00 N ATOM 1482 CA ASP A 467 -11.075 11.861 -0.554 1.00 0.00 C ATOM 1483 C ASP A 467 -11.563 10.418 -0.468 1.00 0.00 C ATOM 1484 O ASP A 467 -12.100 9.993 0.556 1.00 0.00 O ATOM 1485 CB ASP A 467 -11.659 12.540 -1.794 1.00 0.00 C ATOM 1486 CG ASP A 467 -13.142 12.829 -1.656 1.00 0.00 C ATOM 1487 OD1 ASP A 467 -13.672 12.699 -0.533 1.00 0.00 O ATOM 1488 OD2 ASP A 467 -13.772 13.188 -2.674 1.00 0.00 O ATOM 0 H ASP A 467 -9.233 12.322 -1.443 1.00 0.00 H new ATOM 0 HA ASP A 467 -11.414 12.393 0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 467 -11.126 13.473 -1.978 1.00 0.00 H new ATOM 0 HB3 ASP A 467 -11.496 11.903 -2.663 1.00 0.00 H new ATOM 1493 N SER A 468 -11.371 9.670 -1.551 1.00 0.00 N ATOM 1494 CA SER A 468 -11.787 8.274 -1.596 1.00 0.00 C ATOM 1495 C SER A 468 -11.143 7.487 -0.462 1.00 0.00 C ATOM 1496 O SER A 468 -11.742 6.558 0.082 1.00 0.00 O ATOM 1497 CB SER A 468 -11.417 7.647 -2.940 1.00 0.00 C ATOM 1498 OG SER A 468 -11.877 8.443 -4.019 1.00 0.00 O ATOM 0 H SER A 468 -10.931 10.008 -2.407 1.00 0.00 H new ATOM 0 HA SER A 468 -12.870 8.239 -1.478 1.00 0.00 H new ATOM 0 HB2 SER A 468 -10.335 7.531 -3.005 1.00 0.00 H new ATOM 0 HB3 SER A 468 -11.849 6.649 -3.010 1.00 0.00 H new ATOM 0 HG SER A 468 -11.626 8.021 -4.867 1.00 0.00 H new ATOM 1504 N TYR A 469 -9.917 7.867 -0.109 1.00 0.00 N ATOM 1505 CA TYR A 469 -9.196 7.209 0.968 1.00 0.00 C ATOM 1506 C TYR A 469 -10.021 7.264 2.247 1.00 0.00 C ATOM 1507 O TYR A 469 -10.202 6.254 2.928 1.00 0.00 O ATOM 1508 CB TYR A 469 -7.836 7.883 1.181 1.00 0.00 C ATOM 1509 CG TYR A 469 -7.298 7.729 2.585 1.00 0.00 C ATOM 1510 CD1 TYR A 469 -6.541 6.623 2.936 1.00 0.00 C ATOM 1511 CD2 TYR A 469 -7.562 8.682 3.559 1.00 0.00 C ATOM 1512 CE1 TYR A 469 -6.059 6.467 4.219 1.00 0.00 C ATOM 1513 CE2 TYR A 469 -7.085 8.534 4.844 1.00 0.00 C ATOM 1514 CZ TYR A 469 -6.334 7.425 5.171 1.00 0.00 C ATOM 1515 OH TYR A 469 -5.857 7.275 6.453 1.00 0.00 O ATOM 0 H TYR A 469 -9.405 8.628 -0.556 1.00 0.00 H new ATOM 0 HA TYR A 469 -9.027 6.166 0.701 1.00 0.00 H new ATOM 0 HB2 TYR A 469 -7.117 7.463 0.477 1.00 0.00 H new ATOM 0 HB3 TYR A 469 -7.926 8.944 0.949 1.00 0.00 H new ATOM 0 HD1 TYR A 469 -6.325 5.870 2.192 1.00 0.00 H new ATOM 0 HD2 TYR A 469 -8.150 9.552 3.307 1.00 0.00 H new ATOM 0 HE1 TYR A 469 -5.470 5.599 4.476 1.00 0.00 H new ATOM 0 HE2 TYR A 469 -7.299 9.284 5.591 1.00 0.00 H new ATOM 0 HH TYR A 469 -6.139 8.039 6.999 1.00 0.00 H new ATOM 1525 N HIS A 470 -10.507 8.460 2.570 1.00 0.00 N ATOM 1526 CA HIS A 470 -11.330 8.655 3.757 1.00 0.00 C ATOM 1527 C HIS A 470 -12.554 7.750 3.704 1.00 0.00 C ATOM 1528 O HIS A 470 -12.971 7.189 4.717 1.00 0.00 O ATOM 1529 CB HIS A 470 -11.765 10.118 3.870 1.00 0.00 C ATOM 1530 CG HIS A 470 -12.033 10.557 5.277 1.00 0.00 C ATOM 1531 ND1 HIS A 470 -13.196 10.251 5.952 1.00 0.00 N ATOM 1532 CD2 HIS A 470 -11.281 11.284 6.139 1.00 0.00 C ATOM 1533 CE1 HIS A 470 -13.149 10.773 7.166 1.00 0.00 C ATOM 1534 NE2 HIS A 470 -11.997 11.402 7.303 1.00 0.00 N ATOM 0 H HIS A 470 -10.344 9.307 2.026 1.00 0.00 H new ATOM 0 HA HIS A 470 -10.738 8.397 4.635 1.00 0.00 H new ATOM 0 HB2 HIS A 470 -10.990 10.753 3.442 1.00 0.00 H new ATOM 0 HB3 HIS A 470 -12.665 10.268 3.274 1.00 0.00 H new ATOM 0 HD2 HIS A 470 -10.301 11.694 5.945 1.00 0.00 H new ATOM 0 HE1 HIS A 470 -13.921 10.697 7.917 1.00 0.00 H new ATOM 0 HE2 HIS A 470 -11.689 11.897 8.140 1.00 0.00 H new ATOM 1543 N ARG A 471 -13.124 7.612 2.509 1.00 0.00 N ATOM 1544 CA ARG A 471 -14.296 6.765 2.315 1.00 0.00 C ATOM 1545 C ARG A 471 -13.894 5.294 2.314 1.00 0.00 C ATOM 1546 O ARG A 471 -14.748 4.407 2.337 1.00 0.00 O ATOM 1547 CB ARG A 471 -15.000 7.108 1.001 1.00 0.00 C ATOM 1548 CG ARG A 471 -14.898 8.573 0.617 1.00 0.00 C ATOM 1549 CD ARG A 471 -16.014 8.979 -0.333 1.00 0.00 C ATOM 1550 NE ARG A 471 -15.839 10.339 -0.835 1.00 0.00 N ATOM 1551 CZ ARG A 471 -16.706 10.945 -1.641 1.00 0.00 C ATOM 1552 NH1 ARG A 471 -17.797 10.308 -2.047 1.00 0.00 N ATOM 1553 NH2 ARG A 471 -16.480 12.187 -2.046 1.00 0.00 N ATOM 0 H ARG A 471 -12.793 8.075 1.663 1.00 0.00 H new ATOM 0 HA ARG A 471 -14.985 6.946 3.140 1.00 0.00 H new ATOM 0 HB2 ARG A 471 -14.573 6.502 0.202 1.00 0.00 H new ATOM 0 HB3 ARG A 471 -16.052 6.835 1.081 1.00 0.00 H new ATOM 0 HG2 ARG A 471 -14.941 9.189 1.515 1.00 0.00 H new ATOM 0 HG3 ARG A 471 -13.933 8.761 0.147 1.00 0.00 H new ATOM 0 HD2 ARG A 471 -16.046 8.284 -1.172 1.00 0.00 H new ATOM 0 HD3 ARG A 471 -16.972 8.903 0.180 1.00 0.00 H new ATOM 0 HE ARG A 471 -15.005 10.853 -0.552 1.00 0.00 H new ATOM 0 HH11 ARG A 471 -17.972 9.351 -1.741 1.00 0.00 H new ATOM 0 HH12 ARG A 471 -18.460 10.775 -2.665 1.00 0.00 H new ATOM 0 HH21 ARG A 471 -15.641 12.679 -1.739 1.00 0.00 H new ATOM 0 HH22 ARG A 471 -17.146 12.651 -2.664 1.00 0.00 H new ATOM 1567 N ARG A 472 -12.587 5.048 2.283 1.00 0.00 N ATOM 1568 CA ARG A 472 -12.055 3.689 2.275 1.00 0.00 C ATOM 1569 C ARG A 472 -12.552 2.916 1.063 1.00 0.00 C ATOM 1570 O ARG A 472 -12.690 1.693 1.102 1.00 0.00 O ATOM 1571 CB ARG A 472 -12.432 2.958 3.562 1.00 0.00 C ATOM 1572 CG ARG A 472 -11.596 3.386 4.751 1.00 0.00 C ATOM 1573 CD ARG A 472 -10.890 2.203 5.391 1.00 0.00 C ATOM 1574 NE ARG A 472 -11.777 1.452 6.276 1.00 0.00 N ATOM 1575 CZ ARG A 472 -12.024 0.151 6.145 1.00 0.00 C ATOM 1576 NH1 ARG A 472 -11.447 -0.544 5.173 1.00 0.00 N ATOM 1577 NH2 ARG A 472 -12.846 -0.457 6.988 1.00 0.00 N ATOM 0 H ARG A 472 -11.874 5.777 2.263 1.00 0.00 H new ATOM 0 HA ARG A 472 -10.969 3.753 2.216 1.00 0.00 H new ATOM 0 HB2 ARG A 472 -13.485 3.138 3.781 1.00 0.00 H new ATOM 0 HB3 ARG A 472 -12.317 1.885 3.411 1.00 0.00 H new ATOM 0 HG2 ARG A 472 -10.858 4.122 4.432 1.00 0.00 H new ATOM 0 HG3 ARG A 472 -12.234 3.873 5.489 1.00 0.00 H new ATOM 0 HD2 ARG A 472 -10.510 1.542 4.612 1.00 0.00 H new ATOM 0 HD3 ARG A 472 -10.028 2.557 5.956 1.00 0.00 H new ATOM 0 HE ARG A 472 -12.233 1.954 7.038 1.00 0.00 H new ATOM 0 HH11 ARG A 472 -10.812 -0.081 4.523 1.00 0.00 H new ATOM 0 HH12 ARG A 472 -11.639 -1.541 5.076 1.00 0.00 H new ATOM 0 HH21 ARG A 472 -13.290 0.072 7.738 1.00 0.00 H new ATOM 0 HH22 ARG A 472 -13.035 -1.454 6.887 1.00 0.00 H new ATOM 1591 N ASP A 473 -12.817 3.643 -0.015 1.00 0.00 N ATOM 1592 CA ASP A 473 -13.293 3.035 -1.251 1.00 0.00 C ATOM 1593 C ASP A 473 -12.158 2.294 -1.948 1.00 0.00 C ATOM 1594 O ASP A 473 -12.381 1.553 -2.906 1.00 0.00 O ATOM 1595 CB ASP A 473 -13.872 4.101 -2.184 1.00 0.00 C ATOM 1596 CG ASP A 473 -15.219 3.699 -2.753 1.00 0.00 C ATOM 1597 OD1 ASP A 473 -15.280 2.677 -3.468 1.00 0.00 O ATOM 1598 OD2 ASP A 473 -16.212 4.407 -2.484 1.00 0.00 O ATOM 0 H ASP A 473 -12.710 4.656 -0.058 1.00 0.00 H new ATOM 0 HA ASP A 473 -14.080 2.323 -1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 473 -13.976 5.039 -1.639 1.00 0.00 H new ATOM 0 HB3 ASP A 473 -13.174 4.282 -3.002 1.00 0.00 H new ATOM 1823 N TRP B 22 12.421 -3.897 2.747 1.00 0.00 N ATOM 1824 CA TRP B 22 12.856 -3.340 1.470 1.00 0.00 C ATOM 1825 C TRP B 22 14.165 -3.978 1.016 1.00 0.00 C ATOM 1826 O TRP B 22 15.054 -3.302 0.499 1.00 0.00 O ATOM 1827 CB TRP B 22 13.011 -1.822 1.577 1.00 0.00 C ATOM 1828 CG TRP B 22 11.874 -1.168 2.299 1.00 0.00 C ATOM 1829 CD1 TRP B 22 11.872 -0.716 3.587 1.00 0.00 C ATOM 1830 CD2 TRP B 22 10.566 -0.901 1.778 1.00 0.00 C ATOM 1831 NE1 TRP B 22 10.644 -0.185 3.898 1.00 0.00 N ATOM 1832 CE2 TRP B 22 9.825 -0.285 2.804 1.00 0.00 C ATOM 1833 CE3 TRP B 22 9.952 -1.122 0.541 1.00 0.00 C ATOM 1834 CZ2 TRP B 22 8.501 0.112 2.630 1.00 0.00 C ATOM 1835 CZ3 TRP B 22 8.638 -0.728 0.371 1.00 0.00 C ATOM 1836 CH2 TRP B 22 7.926 -0.116 1.411 1.00 0.00 C ATOM 0 HA TRP B 22 12.093 -3.562 0.724 1.00 0.00 H new ATOM 0 HB2 TRP B 22 13.943 -1.593 2.094 1.00 0.00 H new ATOM 0 HB3 TRP B 22 13.090 -1.399 0.576 1.00 0.00 H new ATOM 0 HD1 TRP B 22 12.713 -0.768 4.263 1.00 0.00 H new ATOM 0 HE1 TRP B 22 10.384 0.219 4.798 1.00 0.00 H new ATOM 0 HE3 TRP B 22 10.494 -1.592 -0.266 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 7.949 0.583 3.430 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 8.152 -0.895 -0.579 1.00 0.00 H new ATOM 0 HH2 TRP B 22 6.901 0.182 1.246 1.00 0.00 H new ATOM 1847 N ASN B 23 14.272 -5.290 1.217 1.00 0.00 N ATOM 1848 CA ASN B 23 15.464 -6.033 0.826 1.00 0.00 C ATOM 1849 C ASN B 23 15.476 -6.280 -0.680 1.00 0.00 C ATOM 1850 O ASN B 23 14.766 -5.611 -1.432 1.00 0.00 O ATOM 1851 CB ASN B 23 15.521 -7.368 1.574 1.00 0.00 C ATOM 1852 CG ASN B 23 16.850 -7.586 2.273 1.00 0.00 C ATOM 1853 OD1 ASN B 23 17.011 -7.245 3.444 1.00 0.00 O ATOM 1854 ND2 ASN B 23 17.810 -8.158 1.555 1.00 0.00 N ATOM 0 H ASN B 23 13.545 -5.860 1.649 1.00 0.00 H new ATOM 0 HA ASN B 23 16.340 -5.439 1.087 1.00 0.00 H new ATOM 0 HB2 ASN B 23 14.717 -7.403 2.309 1.00 0.00 H new ATOM 0 HB3 ASN B 23 15.346 -8.182 0.871 1.00 0.00 H new ATOM 0 HD21 ASN B 23 18.725 -8.330 1.972 1.00 0.00 H new ATOM 0 HD22 ASN B 23 17.632 -8.425 0.587 1.00 0.00 H new