USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=20 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 74:sc= 1.72 USER MOD Set 1.2: A 461 THR OG1 : rot -162:sc= 0.564 USER MOD Set 2.1: A 443 GLN : amide:sc= -0.338 X(o=-0.39,f=0) USER MOD Set 2.2: A 447 GLN : amide:sc= -0.0477 X(o=-0.39,f=0) USER MOD Single : A 375 THR OG1 : rot 56:sc= -3.1! USER MOD Single : A 379 CYS SG : rot -4:sc= -0.659 USER MOD Single : A 381 MET CE :methyl -164:sc= -0.0709 (180deg=-0.427) USER MOD Single : A 382 ASN : amide:sc= 0.0538 K(o=0.054,f=-1.3!) USER MOD Single : A 383 MET CE :methyl 178:sc= -0.602 (180deg=-0.623) USER MOD Single : A 395 TYR OH : rot 20:sc= 1.31 USER MOD Single : A 406 CYS SG : rot 100:sc= -1.71 USER MOD Single : A 407 SER OG : rot -23:sc= 0.0198 USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 409 TYR OH : rot 122:sc= -0.907 USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 414 SER OG : rot 180:sc= -0.347 USER MOD Single : A 429 CYS SG : rot -80:sc= -0.845 USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 437 THR OG1 : rot -85:sc= -0.0932 USER MOD Single : A 438 SER OG : rot 180:sc= 0 USER MOD Single : A 442 CYS SG : rot 66:sc= -1.26! USER MOD Single : A 444 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 446 MET CE :methyl -119:sc= 0 (180deg=-0.0368) USER MOD Single : A 453 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 ASN : amide:sc= -0.54 K(o=-0.54,f=-0.0048) USER MOD Single : A 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 463 TYR OH : rot -130:sc= -0.161 USER MOD Single : A 464 CYS SG : rot 180:sc= -1.04 USER MOD Single : A 468 SER OG : rot 180:sc= 0 USER MOD Single : A 469 TYR OH : rot 15:sc= -0.486 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=-0.015) USER MOD ----------------------------------------------------------------- ATOM 26 N PRO A 374 1.129 13.196 -8.561 1.00 0.00 N ATOM 27 CA PRO A 374 1.104 13.456 -7.118 1.00 0.00 C ATOM 28 C PRO A 374 -0.215 14.064 -6.660 1.00 0.00 C ATOM 29 O PRO A 374 -0.678 15.060 -7.216 1.00 0.00 O ATOM 30 CB PRO A 374 2.250 14.452 -6.908 1.00 0.00 C ATOM 31 CG PRO A 374 3.125 14.291 -8.100 1.00 0.00 C ATOM 32 CD PRO A 374 2.201 13.955 -9.232 1.00 0.00 C ATOM 0 HA PRO A 374 1.211 12.537 -6.542 1.00 0.00 H new ATOM 0 HB2 PRO A 374 1.876 15.473 -6.828 1.00 0.00 H new ATOM 0 HB3 PRO A 374 2.794 14.239 -5.988 1.00 0.00 H new ATOM 0 HG2 PRO A 374 3.681 15.206 -8.305 1.00 0.00 H new ATOM 0 HG3 PRO A 374 3.859 13.500 -7.944 1.00 0.00 H new ATOM 0 HD2 PRO A 374 1.818 14.850 -9.721 1.00 0.00 H new ATOM 0 HD3 PRO A 374 2.699 13.361 -9.999 1.00 0.00 H new ATOM 40 N THR A 375 -0.816 13.459 -5.640 1.00 0.00 N ATOM 41 CA THR A 375 -2.081 13.943 -5.101 1.00 0.00 C ATOM 42 C THR A 375 -1.927 14.375 -3.648 1.00 0.00 C ATOM 43 O THR A 375 -1.993 15.565 -3.340 1.00 0.00 O ATOM 44 CB THR A 375 -3.191 12.879 -5.197 1.00 0.00 C ATOM 45 OG1 THR A 375 -4.007 12.923 -4.023 1.00 0.00 O ATOM 46 CG2 THR A 375 -2.603 11.486 -5.361 1.00 0.00 C ATOM 0 H THR A 375 -0.447 12.632 -5.170 1.00 0.00 H new ATOM 0 HA THR A 375 -2.370 14.802 -5.707 1.00 0.00 H new ATOM 0 HB THR A 375 -3.799 13.099 -6.075 1.00 0.00 H new ATOM 0 HG1 THR A 375 -4.363 13.829 -3.906 1.00 0.00 H new ATOM 0 HG21 THR A 375 -3.410 10.756 -5.426 1.00 0.00 H new ATOM 0 HG22 THR A 375 -2.005 11.448 -6.272 1.00 0.00 H new ATOM 0 HG23 THR A 375 -1.972 11.254 -4.503 1.00 0.00 H new ATOM 54 N GLU A 376 -1.718 13.404 -2.757 1.00 0.00 N ATOM 55 CA GLU A 376 -1.549 13.698 -1.336 1.00 0.00 C ATOM 56 C GLU A 376 -1.232 12.439 -0.532 1.00 0.00 C ATOM 57 O GLU A 376 -0.325 12.448 0.299 1.00 0.00 O ATOM 58 CB GLU A 376 -2.798 14.377 -0.776 1.00 0.00 C ATOM 59 CG GLU A 376 -2.631 14.887 0.646 1.00 0.00 C ATOM 60 CD GLU A 376 -3.720 14.392 1.577 1.00 0.00 C ATOM 61 OE1 GLU A 376 -4.895 14.755 1.360 1.00 0.00 O ATOM 62 OE2 GLU A 376 -3.398 13.643 2.522 1.00 0.00 O ATOM 0 H GLU A 376 -1.662 12.413 -2.994 1.00 0.00 H new ATOM 0 HA GLU A 376 -0.701 14.377 -1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -3.068 15.212 -1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.628 13.671 -0.804 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -1.660 14.572 1.029 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -2.632 15.977 0.639 1.00 0.00 H new ATOM 69 N VAL A 377 -1.972 11.356 -0.775 1.00 0.00 N ATOM 70 CA VAL A 377 -1.736 10.111 -0.047 1.00 0.00 C ATOM 71 C VAL A 377 -1.187 9.034 -0.976 1.00 0.00 C ATOM 72 O VAL A 377 -1.357 9.111 -2.192 1.00 0.00 O ATOM 73 CB VAL A 377 -3.015 9.599 0.656 1.00 0.00 C ATOM 74 CG1 VAL A 377 -3.709 10.731 1.400 1.00 0.00 C ATOM 75 CG2 VAL A 377 -3.970 8.950 -0.333 1.00 0.00 C ATOM 0 H VAL A 377 -2.728 11.316 -1.459 1.00 0.00 H new ATOM 0 HA VAL A 377 -0.996 10.330 0.722 1.00 0.00 H new ATOM 0 HB VAL A 377 -2.714 8.840 1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 377 -4.606 10.350 1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 377 -3.034 11.140 2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 377 -3.985 11.515 0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 377 -4.858 8.601 0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 377 -4.260 9.678 -1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 377 -3.477 8.104 -0.813 1.00 0.00 H new ATOM 85 N LEU A 378 -0.527 8.030 -0.403 1.00 0.00 N ATOM 86 CA LEU A 378 0.054 6.955 -1.199 1.00 0.00 C ATOM 87 C LEU A 378 -0.522 5.603 -0.797 1.00 0.00 C ATOM 88 O LEU A 378 -0.816 5.364 0.375 1.00 0.00 O ATOM 89 CB LEU A 378 1.584 6.963 -1.067 1.00 0.00 C ATOM 90 CG LEU A 378 2.182 5.920 -0.118 1.00 0.00 C ATOM 91 CD1 LEU A 378 2.647 4.700 -0.894 1.00 0.00 C ATOM 92 CD2 LEU A 378 3.337 6.519 0.666 1.00 0.00 C ATOM 0 H LEU A 378 -0.382 7.940 0.603 1.00 0.00 H new ATOM 0 HA LEU A 378 -0.203 7.124 -2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 378 2.015 6.814 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 378 1.895 7.952 -0.730 1.00 0.00 H new ATOM 0 HG LEU A 378 1.409 5.609 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 378 3.069 3.969 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 378 1.800 4.257 -1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 378 3.406 4.997 -1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 378 3.751 5.766 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 378 4.110 6.855 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 378 2.979 7.367 1.250 1.00 0.00 H new ATOM 104 N CYS A 379 -0.681 4.723 -1.779 1.00 0.00 N ATOM 105 CA CYS A 379 -1.223 3.392 -1.535 1.00 0.00 C ATOM 106 C CYS A 379 -0.160 2.322 -1.754 1.00 0.00 C ATOM 107 O CYS A 379 0.610 2.381 -2.713 1.00 0.00 O ATOM 108 CB CYS A 379 -2.423 3.132 -2.447 1.00 0.00 C ATOM 109 SG CYS A 379 -3.458 1.744 -1.926 1.00 0.00 S ATOM 0 H CYS A 379 -0.442 4.908 -2.753 1.00 0.00 H new ATOM 0 HA CYS A 379 -1.549 3.345 -0.496 1.00 0.00 H new ATOM 0 HB2 CYS A 379 -3.036 4.033 -2.489 1.00 0.00 H new ATOM 0 HB3 CYS A 379 -2.063 2.944 -3.458 1.00 0.00 H new ATOM 0 HG CYS A 379 -2.923 1.168 -0.891 1.00 0.00 H new ATOM 115 N LEU A 380 -0.125 1.345 -0.855 1.00 0.00 N ATOM 116 CA LEU A 380 0.841 0.258 -0.941 1.00 0.00 C ATOM 117 C LEU A 380 0.145 -1.070 -1.232 1.00 0.00 C ATOM 118 O LEU A 380 -0.641 -1.563 -0.420 1.00 0.00 O ATOM 119 CB LEU A 380 1.639 0.159 0.360 1.00 0.00 C ATOM 120 CG LEU A 380 2.122 1.498 0.928 1.00 0.00 C ATOM 121 CD1 LEU A 380 1.922 1.539 2.435 1.00 0.00 C ATOM 122 CD2 LEU A 380 3.584 1.726 0.578 1.00 0.00 C ATOM 0 H LEU A 380 -0.757 1.284 -0.056 1.00 0.00 H new ATOM 0 HA LEU A 380 1.524 0.473 -1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 380 1.022 -0.335 1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 380 2.506 -0.480 0.189 1.00 0.00 H new ATOM 0 HG LEU A 380 1.531 2.297 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 380 2.270 2.497 2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 380 0.863 1.418 2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 380 2.489 0.732 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 380 3.912 2.681 0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 380 4.189 0.923 1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 380 3.701 1.738 -0.506 1.00 0.00 H new ATOM 134 N MET A 381 0.442 -1.641 -2.395 1.00 0.00 N ATOM 135 CA MET A 381 -0.152 -2.910 -2.804 1.00 0.00 C ATOM 136 C MET A 381 0.915 -3.995 -2.929 1.00 0.00 C ATOM 137 O MET A 381 2.107 -3.697 -3.015 1.00 0.00 O ATOM 138 CB MET A 381 -0.888 -2.744 -4.135 1.00 0.00 C ATOM 139 CG MET A 381 -2.302 -3.303 -4.125 1.00 0.00 C ATOM 140 SD MET A 381 -3.087 -3.239 -5.748 1.00 0.00 S ATOM 141 CE MET A 381 -3.131 -1.472 -6.036 1.00 0.00 C ATOM 0 H MET A 381 1.092 -1.244 -3.073 1.00 0.00 H new ATOM 0 HA MET A 381 -0.865 -3.215 -2.038 1.00 0.00 H new ATOM 0 HB2 MET A 381 -0.927 -1.685 -4.389 1.00 0.00 H new ATOM 0 HB3 MET A 381 -0.317 -3.239 -4.920 1.00 0.00 H new ATOM 0 HG2 MET A 381 -2.278 -4.336 -3.778 1.00 0.00 H new ATOM 0 HG3 MET A 381 -2.905 -2.742 -3.412 1.00 0.00 H new ATOM 0 HE1 MET A 381 -3.828 -1.252 -6.845 1.00 0.00 H new ATOM 0 HE2 MET A 381 -3.457 -0.963 -5.129 1.00 0.00 H new ATOM 0 HE3 MET A 381 -2.135 -1.123 -6.310 1.00 0.00 H new ATOM 151 N ASN A 382 0.478 -5.253 -2.941 1.00 0.00 N ATOM 152 CA ASN A 382 1.395 -6.384 -3.055 1.00 0.00 C ATOM 153 C ASN A 382 2.468 -6.326 -1.974 1.00 0.00 C ATOM 154 O ASN A 382 3.597 -6.773 -2.180 1.00 0.00 O ATOM 155 CB ASN A 382 2.047 -6.405 -4.440 1.00 0.00 C ATOM 156 CG ASN A 382 2.223 -7.813 -4.977 1.00 0.00 C ATOM 157 OD1 ASN A 382 1.414 -8.699 -4.706 1.00 0.00 O ATOM 158 ND2 ASN A 382 3.288 -8.024 -5.742 1.00 0.00 N ATOM 0 H ASN A 382 -0.506 -5.514 -2.873 1.00 0.00 H new ATOM 0 HA ASN A 382 0.819 -7.300 -2.920 1.00 0.00 H new ATOM 0 HB2 ASN A 382 1.436 -5.828 -5.135 1.00 0.00 H new ATOM 0 HB3 ASN A 382 3.019 -5.915 -4.388 1.00 0.00 H new ATOM 0 HD21 ASN A 382 3.461 -8.951 -6.131 1.00 0.00 H new ATOM 0 HD22 ASN A 382 3.933 -7.259 -5.941 1.00 0.00 H new ATOM 165 N MET A 383 2.106 -5.774 -0.820 1.00 0.00 N ATOM 166 CA MET A 383 3.036 -5.653 0.296 1.00 0.00 C ATOM 167 C MET A 383 2.564 -6.480 1.486 1.00 0.00 C ATOM 168 O MET A 383 3.372 -7.057 2.214 1.00 0.00 O ATOM 169 CB MET A 383 3.179 -4.188 0.709 1.00 0.00 C ATOM 170 CG MET A 383 4.545 -3.600 0.402 1.00 0.00 C ATOM 171 SD MET A 383 4.615 -1.822 0.693 1.00 0.00 S ATOM 172 CE MET A 383 4.358 -1.758 2.464 1.00 0.00 C ATOM 0 H MET A 383 1.174 -5.403 -0.634 1.00 0.00 H new ATOM 0 HA MET A 383 4.006 -6.031 -0.028 1.00 0.00 H new ATOM 0 HB2 MET A 383 2.416 -3.599 0.199 1.00 0.00 H new ATOM 0 HB3 MET A 383 2.987 -4.100 1.778 1.00 0.00 H new ATOM 0 HG2 MET A 383 5.296 -4.095 1.017 1.00 0.00 H new ATOM 0 HG3 MET A 383 4.799 -3.805 -0.638 1.00 0.00 H new ATOM 0 HE1 MET A 383 4.410 -0.723 2.802 1.00 0.00 H new ATOM 0 HE2 MET A 383 3.378 -2.169 2.704 1.00 0.00 H new ATOM 0 HE3 MET A 383 5.130 -2.343 2.965 1.00 0.00 H new ATOM 182 N VAL A 384 1.250 -6.537 1.674 1.00 0.00 N ATOM 183 CA VAL A 384 0.669 -7.287 2.779 1.00 0.00 C ATOM 184 C VAL A 384 -0.220 -8.418 2.278 1.00 0.00 C ATOM 185 O VAL A 384 -0.883 -8.294 1.248 1.00 0.00 O ATOM 186 CB VAL A 384 -0.169 -6.376 3.696 1.00 0.00 C ATOM 187 CG1 VAL A 384 0.728 -5.478 4.531 1.00 0.00 C ATOM 188 CG2 VAL A 384 -1.147 -5.550 2.876 1.00 0.00 C ATOM 0 H VAL A 384 0.568 -6.072 1.075 1.00 0.00 H new ATOM 0 HA VAL A 384 1.504 -7.704 3.343 1.00 0.00 H new ATOM 0 HB VAL A 384 -0.740 -7.008 4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 384 0.114 -4.844 5.171 1.00 0.00 H new ATOM 0 HG12 VAL A 384 1.383 -6.092 5.150 1.00 0.00 H new ATOM 0 HG13 VAL A 384 1.332 -4.853 3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 384 -1.731 -4.912 3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 384 -0.596 -4.930 2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 384 -1.817 -6.215 2.330 1.00 0.00 H new ATOM 198 N LEU A 385 -0.226 -9.522 3.016 1.00 0.00 N ATOM 199 CA LEU A 385 -1.042 -10.677 2.667 1.00 0.00 C ATOM 200 C LEU A 385 -2.094 -10.917 3.748 1.00 0.00 C ATOM 201 O LEU A 385 -1.851 -10.644 4.922 1.00 0.00 O ATOM 202 CB LEU A 385 -0.168 -11.923 2.499 1.00 0.00 C ATOM 203 CG LEU A 385 0.619 -11.992 1.189 1.00 0.00 C ATOM 204 CD1 LEU A 385 1.926 -12.742 1.392 1.00 0.00 C ATOM 205 CD2 LEU A 385 -0.215 -12.654 0.105 1.00 0.00 C ATOM 0 H LEU A 385 0.328 -9.641 3.864 1.00 0.00 H new ATOM 0 HA LEU A 385 -1.542 -10.476 1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 385 0.536 -11.969 3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 385 -0.803 -12.806 2.570 1.00 0.00 H new ATOM 0 HG LEU A 385 0.853 -10.976 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 385 2.473 -12.782 0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 385 2.529 -12.227 2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 385 1.715 -13.756 1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 385 0.359 -12.696 -0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -0.478 -13.665 0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -1.125 -12.076 -0.058 1.00 0.00 H new ATOM 217 N PRO A 386 -3.280 -11.431 3.371 1.00 0.00 N ATOM 218 CA PRO A 386 -4.357 -11.692 4.331 1.00 0.00 C ATOM 219 C PRO A 386 -3.975 -12.760 5.350 1.00 0.00 C ATOM 220 O PRO A 386 -4.626 -12.904 6.386 1.00 0.00 O ATOM 221 CB PRO A 386 -5.519 -12.167 3.455 1.00 0.00 C ATOM 222 CG PRO A 386 -4.886 -12.647 2.196 1.00 0.00 C ATOM 223 CD PRO A 386 -3.663 -11.798 1.997 1.00 0.00 C ATOM 0 HA PRO A 386 -4.597 -10.809 4.923 1.00 0.00 H new ATOM 0 HB2 PRO A 386 -6.080 -12.964 3.943 1.00 0.00 H new ATOM 0 HB3 PRO A 386 -6.221 -11.357 3.259 1.00 0.00 H new ATOM 0 HG2 PRO A 386 -4.621 -13.702 2.270 1.00 0.00 H new ATOM 0 HG3 PRO A 386 -5.570 -12.549 1.353 1.00 0.00 H new ATOM 0 HD2 PRO A 386 -2.869 -12.348 1.491 1.00 0.00 H new ATOM 0 HD3 PRO A 386 -3.878 -10.918 1.390 1.00 0.00 H new ATOM 231 N GLU A 387 -2.917 -13.507 5.050 1.00 0.00 N ATOM 232 CA GLU A 387 -2.444 -14.556 5.945 1.00 0.00 C ATOM 233 C GLU A 387 -1.443 -13.992 6.949 1.00 0.00 C ATOM 234 O GLU A 387 -0.898 -14.722 7.776 1.00 0.00 O ATOM 235 CB GLU A 387 -1.799 -15.690 5.145 1.00 0.00 C ATOM 236 CG GLU A 387 -0.653 -15.233 4.257 1.00 0.00 C ATOM 237 CD GLU A 387 0.250 -16.376 3.835 1.00 0.00 C ATOM 238 OE1 GLU A 387 -0.153 -17.152 2.941 1.00 0.00 O ATOM 239 OE2 GLU A 387 1.359 -16.496 4.396 1.00 0.00 O ATOM 0 H GLU A 387 -2.372 -13.405 4.194 1.00 0.00 H new ATOM 0 HA GLU A 387 -3.301 -14.952 6.490 1.00 0.00 H new ATOM 0 HB2 GLU A 387 -1.432 -16.448 5.837 1.00 0.00 H new ATOM 0 HB3 GLU A 387 -2.560 -16.165 4.526 1.00 0.00 H new ATOM 0 HG2 GLU A 387 -1.058 -14.748 3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 387 -0.063 -14.486 4.788 1.00 0.00 H new ATOM 246 N GLU A 388 -1.209 -12.686 6.865 1.00 0.00 N ATOM 247 CA GLU A 388 -0.275 -12.014 7.762 1.00 0.00 C ATOM 248 C GLU A 388 -0.998 -10.997 8.638 1.00 0.00 C ATOM 249 O GLU A 388 -0.639 -10.798 9.798 1.00 0.00 O ATOM 250 CB GLU A 388 0.830 -11.324 6.960 1.00 0.00 C ATOM 251 CG GLU A 388 1.829 -12.290 6.346 1.00 0.00 C ATOM 252 CD GLU A 388 3.175 -12.261 7.045 1.00 0.00 C ATOM 253 OE1 GLU A 388 3.843 -11.207 7.001 1.00 0.00 O ATOM 254 OE2 GLU A 388 3.560 -13.292 7.635 1.00 0.00 O ATOM 0 H GLU A 388 -1.654 -12.071 6.184 1.00 0.00 H new ATOM 0 HA GLU A 388 0.174 -12.767 8.409 1.00 0.00 H new ATOM 0 HB2 GLU A 388 0.375 -10.731 6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 388 1.361 -10.630 7.612 1.00 0.00 H new ATOM 0 HG2 GLU A 388 1.424 -13.301 6.388 1.00 0.00 H new ATOM 0 HG3 GLU A 388 1.966 -12.045 5.293 1.00 0.00 H new ATOM 261 N LEU A 389 -2.018 -10.352 8.076 1.00 0.00 N ATOM 262 CA LEU A 389 -2.790 -9.357 8.815 1.00 0.00 C ATOM 263 C LEU A 389 -3.913 -10.026 9.599 1.00 0.00 C ATOM 264 O LEU A 389 -5.016 -9.489 9.709 1.00 0.00 O ATOM 265 CB LEU A 389 -3.370 -8.300 7.865 1.00 0.00 C ATOM 266 CG LEU A 389 -2.490 -7.920 6.667 1.00 0.00 C ATOM 267 CD1 LEU A 389 -3.017 -6.656 6.000 1.00 0.00 C ATOM 268 CD2 LEU A 389 -1.041 -7.724 7.093 1.00 0.00 C ATOM 0 H LEU A 389 -2.328 -10.500 7.116 1.00 0.00 H new ATOM 0 HA LEU A 389 -2.118 -8.862 9.516 1.00 0.00 H new ATOM 0 HB2 LEU A 389 -4.326 -8.664 7.488 1.00 0.00 H new ATOM 0 HB3 LEU A 389 -3.577 -7.397 8.440 1.00 0.00 H new ATOM 0 HG LEU A 389 -2.527 -8.739 5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 389 -2.382 -6.400 5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 389 -4.036 -6.826 5.652 1.00 0.00 H new ATOM 0 HD13 LEU A 389 -3.011 -5.836 6.718 1.00 0.00 H new ATOM 0 HD21 LEU A 389 -0.440 -7.455 6.225 1.00 0.00 H new ATOM 0 HD22 LEU A 389 -0.984 -6.927 7.834 1.00 0.00 H new ATOM 0 HD23 LEU A 389 -0.661 -8.649 7.526 1.00 0.00 H new ATOM 280 N LEU A 390 -3.623 -11.203 10.143 1.00 0.00 N ATOM 281 CA LEU A 390 -4.604 -11.953 10.917 1.00 0.00 C ATOM 282 C LEU A 390 -4.083 -12.246 12.321 1.00 0.00 C ATOM 283 O LEU A 390 -4.857 -12.549 13.229 1.00 0.00 O ATOM 284 CB LEU A 390 -4.952 -13.259 10.201 1.00 0.00 C ATOM 285 CG LEU A 390 -6.345 -13.302 9.579 1.00 0.00 C ATOM 286 CD1 LEU A 390 -6.408 -14.354 8.485 1.00 0.00 C ATOM 287 CD2 LEU A 390 -7.397 -13.570 10.644 1.00 0.00 C ATOM 0 H LEU A 390 -2.714 -11.659 10.062 1.00 0.00 H new ATOM 0 HA LEU A 390 -5.504 -11.345 11.008 1.00 0.00 H new ATOM 0 HB2 LEU A 390 -4.215 -13.434 9.417 1.00 0.00 H new ATOM 0 HB3 LEU A 390 -4.862 -14.081 10.912 1.00 0.00 H new ATOM 0 HG LEU A 390 -6.553 -12.330 9.131 1.00 0.00 H new ATOM 0 HD11 LEU A 390 -7.409 -14.370 8.053 1.00 0.00 H new ATOM 0 HD12 LEU A 390 -5.681 -14.115 7.708 1.00 0.00 H new ATOM 0 HD13 LEU A 390 -6.179 -15.332 8.907 1.00 0.00 H new ATOM 0 HD21 LEU A 390 -8.384 -13.597 10.182 1.00 0.00 H new ATOM 0 HD22 LEU A 390 -7.194 -14.528 11.123 1.00 0.00 H new ATOM 0 HD23 LEU A 390 -7.368 -12.777 11.392 1.00 0.00 H new ATOM 299 N ASP A 391 -2.767 -12.155 12.490 1.00 0.00 N ATOM 300 CA ASP A 391 -2.144 -12.403 13.786 1.00 0.00 C ATOM 301 C ASP A 391 -2.012 -11.106 14.576 1.00 0.00 C ATOM 302 O ASP A 391 -2.058 -10.016 14.007 1.00 0.00 O ATOM 303 CB ASP A 391 -0.767 -13.046 13.603 1.00 0.00 C ATOM 304 CG ASP A 391 -0.533 -14.196 14.563 1.00 0.00 C ATOM 305 OD1 ASP A 391 -1.005 -14.112 15.717 1.00 0.00 O ATOM 306 OD2 ASP A 391 0.123 -15.180 14.161 1.00 0.00 O ATOM 0 H ASP A 391 -2.112 -11.912 11.747 1.00 0.00 H new ATOM 0 HA ASP A 391 -2.782 -13.088 14.344 1.00 0.00 H new ATOM 0 HB2 ASP A 391 -0.671 -13.406 12.579 1.00 0.00 H new ATOM 0 HB3 ASP A 391 0.006 -12.291 13.750 1.00 0.00 H new ATOM 311 N ASP A 392 -1.845 -11.228 15.888 1.00 0.00 N ATOM 312 CA ASP A 392 -1.714 -10.061 16.754 1.00 0.00 C ATOM 313 C ASP A 392 -0.329 -9.432 16.635 1.00 0.00 C ATOM 314 O ASP A 392 -0.201 -8.225 16.430 1.00 0.00 O ATOM 315 CB ASP A 392 -1.985 -10.451 18.209 1.00 0.00 C ATOM 316 CG ASP A 392 -3.449 -10.327 18.579 1.00 0.00 C ATOM 317 OD1 ASP A 392 -3.971 -9.192 18.569 1.00 0.00 O ATOM 318 OD2 ASP A 392 -4.075 -11.365 18.881 1.00 0.00 O ATOM 0 H ASP A 392 -1.797 -12.123 16.376 1.00 0.00 H new ATOM 0 HA ASP A 392 -2.450 -9.323 16.434 1.00 0.00 H new ATOM 0 HB2 ASP A 392 -1.657 -11.477 18.374 1.00 0.00 H new ATOM 0 HB3 ASP A 392 -1.392 -9.817 18.868 1.00 0.00 H new ATOM 323 N GLU A 393 0.705 -10.257 16.760 1.00 0.00 N ATOM 324 CA GLU A 393 2.082 -9.780 16.677 1.00 0.00 C ATOM 325 C GLU A 393 2.479 -9.474 15.235 1.00 0.00 C ATOM 326 O GLU A 393 3.191 -8.504 14.973 1.00 0.00 O ATOM 327 CB GLU A 393 3.036 -10.821 17.268 1.00 0.00 C ATOM 328 CG GLU A 393 4.416 -10.270 17.590 1.00 0.00 C ATOM 329 CD GLU A 393 4.525 -9.769 19.018 1.00 0.00 C ATOM 330 OE1 GLU A 393 4.244 -10.556 19.946 1.00 0.00 O ATOM 331 OE2 GLU A 393 4.892 -8.590 19.207 1.00 0.00 O ATOM 0 H GLU A 393 0.616 -11.261 16.919 1.00 0.00 H new ATOM 0 HA GLU A 393 2.151 -8.856 17.252 1.00 0.00 H new ATOM 0 HB2 GLU A 393 2.596 -11.230 18.178 1.00 0.00 H new ATOM 0 HB3 GLU A 393 3.139 -11.647 16.565 1.00 0.00 H new ATOM 0 HG2 GLU A 393 5.162 -11.048 17.424 1.00 0.00 H new ATOM 0 HG3 GLU A 393 4.647 -9.455 16.904 1.00 0.00 H new ATOM 338 N GLU A 394 2.014 -10.302 14.307 1.00 0.00 N ATOM 339 CA GLU A 394 2.330 -10.122 12.892 1.00 0.00 C ATOM 340 C GLU A 394 1.739 -8.825 12.348 1.00 0.00 C ATOM 341 O GLU A 394 2.441 -8.028 11.725 1.00 0.00 O ATOM 342 CB GLU A 394 1.817 -11.311 12.077 1.00 0.00 C ATOM 343 CG GLU A 394 2.363 -11.358 10.660 1.00 0.00 C ATOM 344 CD GLU A 394 3.727 -12.014 10.583 1.00 0.00 C ATOM 345 OE1 GLU A 394 3.857 -13.168 11.043 1.00 0.00 O ATOM 346 OE2 GLU A 394 4.665 -11.375 10.063 1.00 0.00 O ATOM 0 H GLU A 394 1.417 -11.105 14.507 1.00 0.00 H new ATOM 0 HA GLU A 394 3.415 -10.064 12.800 1.00 0.00 H new ATOM 0 HB2 GLU A 394 2.083 -12.235 12.591 1.00 0.00 H new ATOM 0 HB3 GLU A 394 0.728 -11.271 12.037 1.00 0.00 H new ATOM 0 HG2 GLU A 394 1.665 -11.903 10.024 1.00 0.00 H new ATOM 0 HG3 GLU A 394 2.429 -10.344 10.266 1.00 0.00 H new ATOM 353 N TYR A 395 0.446 -8.616 12.584 1.00 0.00 N ATOM 354 CA TYR A 395 -0.229 -7.421 12.111 1.00 0.00 C ATOM 355 C TYR A 395 0.366 -6.166 12.744 1.00 0.00 C ATOM 356 O TYR A 395 0.593 -5.167 12.063 1.00 0.00 O ATOM 357 CB TYR A 395 -1.721 -7.511 12.421 1.00 0.00 C ATOM 358 CG TYR A 395 -2.459 -6.219 12.195 1.00 0.00 C ATOM 359 CD1 TYR A 395 -2.571 -5.679 10.923 1.00 0.00 C ATOM 360 CD2 TYR A 395 -3.037 -5.538 13.253 1.00 0.00 C ATOM 361 CE1 TYR A 395 -3.241 -4.494 10.711 1.00 0.00 C ATOM 362 CE2 TYR A 395 -3.710 -4.352 13.053 1.00 0.00 C ATOM 363 CZ TYR A 395 -3.810 -3.833 11.779 1.00 0.00 C ATOM 364 OH TYR A 395 -4.482 -2.650 11.574 1.00 0.00 O ATOM 0 H TYR A 395 -0.151 -9.262 13.101 1.00 0.00 H new ATOM 0 HA TYR A 395 -0.089 -7.353 11.032 1.00 0.00 H new ATOM 0 HB2 TYR A 395 -2.167 -8.288 11.801 1.00 0.00 H new ATOM 0 HB3 TYR A 395 -1.851 -7.818 13.459 1.00 0.00 H new ATOM 0 HD1 TYR A 395 -2.126 -6.195 10.085 1.00 0.00 H new ATOM 0 HD2 TYR A 395 -2.959 -5.943 14.251 1.00 0.00 H new ATOM 0 HE1 TYR A 395 -3.320 -4.085 9.714 1.00 0.00 H new ATOM 0 HE2 TYR A 395 -4.156 -3.833 13.888 1.00 0.00 H new ATOM 0 HH TYR A 395 -4.740 -2.579 10.631 1.00 0.00 H new ATOM 374 N GLU A 396 0.613 -6.223 14.049 1.00 0.00 N ATOM 375 CA GLU A 396 1.184 -5.087 14.764 1.00 0.00 C ATOM 376 C GLU A 396 2.518 -4.680 14.150 1.00 0.00 C ATOM 377 O GLU A 396 2.865 -3.499 14.117 1.00 0.00 O ATOM 378 CB GLU A 396 1.369 -5.424 16.244 1.00 0.00 C ATOM 379 CG GLU A 396 1.311 -4.208 17.155 1.00 0.00 C ATOM 380 CD GLU A 396 2.388 -4.225 18.222 1.00 0.00 C ATOM 381 OE1 GLU A 396 3.500 -4.719 17.938 1.00 0.00 O ATOM 382 OE2 GLU A 396 2.120 -3.743 19.343 1.00 0.00 O ATOM 0 H GLU A 396 0.428 -7.040 14.631 1.00 0.00 H new ATOM 0 HA GLU A 396 0.492 -4.249 14.678 1.00 0.00 H new ATOM 0 HB2 GLU A 396 0.597 -6.132 16.546 1.00 0.00 H new ATOM 0 HB3 GLU A 396 2.329 -5.923 16.378 1.00 0.00 H new ATOM 0 HG2 GLU A 396 1.414 -3.304 16.555 1.00 0.00 H new ATOM 0 HG3 GLU A 396 0.332 -4.163 17.633 1.00 0.00 H new ATOM 389 N GLU A 397 3.261 -5.668 13.660 1.00 0.00 N ATOM 390 CA GLU A 397 4.558 -5.417 13.042 1.00 0.00 C ATOM 391 C GLU A 397 4.387 -4.820 11.648 1.00 0.00 C ATOM 392 O GLU A 397 5.247 -4.080 11.171 1.00 0.00 O ATOM 393 CB GLU A 397 5.364 -6.714 12.957 1.00 0.00 C ATOM 394 CG GLU A 397 6.868 -6.496 12.984 1.00 0.00 C ATOM 395 CD GLU A 397 7.489 -6.884 14.311 1.00 0.00 C ATOM 396 OE1 GLU A 397 7.529 -8.095 14.616 1.00 0.00 O ATOM 397 OE2 GLU A 397 7.936 -5.978 15.045 1.00 0.00 O ATOM 0 H GLU A 397 2.987 -6.650 13.679 1.00 0.00 H new ATOM 0 HA GLU A 397 5.098 -4.701 13.662 1.00 0.00 H new ATOM 0 HB2 GLU A 397 5.084 -7.362 13.788 1.00 0.00 H new ATOM 0 HB3 GLU A 397 5.097 -7.239 12.040 1.00 0.00 H new ATOM 0 HG2 GLU A 397 7.330 -7.078 12.187 1.00 0.00 H new ATOM 0 HG3 GLU A 397 7.083 -5.447 12.779 1.00 0.00 H new ATOM 404 N ILE A 398 3.272 -5.149 11.003 1.00 0.00 N ATOM 405 CA ILE A 398 2.986 -4.647 9.663 1.00 0.00 C ATOM 406 C ILE A 398 2.813 -3.129 9.670 1.00 0.00 C ATOM 407 O ILE A 398 3.480 -2.415 8.922 1.00 0.00 O ATOM 408 CB ILE A 398 1.713 -5.304 9.091 1.00 0.00 C ATOM 409 CG1 ILE A 398 2.013 -6.745 8.672 1.00 0.00 C ATOM 410 CG2 ILE A 398 1.164 -4.499 7.917 1.00 0.00 C ATOM 411 CD1 ILE A 398 2.848 -6.855 7.414 1.00 0.00 C ATOM 0 H ILE A 398 2.552 -5.761 11.386 1.00 0.00 H new ATOM 0 HA ILE A 398 3.836 -4.903 9.031 1.00 0.00 H new ATOM 0 HB ILE A 398 0.949 -5.318 9.868 1.00 0.00 H new ATOM 0 HG12 ILE A 398 2.532 -7.250 9.487 1.00 0.00 H new ATOM 0 HG13 ILE A 398 1.071 -7.272 8.519 1.00 0.00 H new ATOM 0 HG21 ILE A 398 0.267 -4.983 7.532 1.00 0.00 H new ATOM 0 HG22 ILE A 398 0.918 -3.491 8.251 1.00 0.00 H new ATOM 0 HG23 ILE A 398 1.915 -4.447 7.129 1.00 0.00 H new ATOM 0 HD11 ILE A 398 3.019 -7.906 7.181 1.00 0.00 H new ATOM 0 HD12 ILE A 398 2.322 -6.381 6.586 1.00 0.00 H new ATOM 0 HD13 ILE A 398 3.806 -6.358 7.568 1.00 0.00 H new ATOM 423 N VAL A 399 1.914 -2.649 10.521 1.00 0.00 N ATOM 424 CA VAL A 399 1.650 -1.219 10.632 1.00 0.00 C ATOM 425 C VAL A 399 2.845 -0.479 11.227 1.00 0.00 C ATOM 426 O VAL A 399 3.113 0.668 10.875 1.00 0.00 O ATOM 427 CB VAL A 399 0.407 -0.946 11.502 1.00 0.00 C ATOM 428 CG1 VAL A 399 -0.002 0.516 11.406 1.00 0.00 C ATOM 429 CG2 VAL A 399 -0.742 -1.857 11.096 1.00 0.00 C ATOM 0 H VAL A 399 1.355 -3.230 11.145 1.00 0.00 H new ATOM 0 HA VAL A 399 1.469 -0.852 9.622 1.00 0.00 H new ATOM 0 HB VAL A 399 0.660 -1.161 12.540 1.00 0.00 H new ATOM 0 HG11 VAL A 399 -0.881 0.689 12.027 1.00 0.00 H new ATOM 0 HG12 VAL A 399 0.817 1.146 11.752 1.00 0.00 H new ATOM 0 HG13 VAL A 399 -0.235 0.761 10.370 1.00 0.00 H new ATOM 0 HG21 VAL A 399 -1.610 -1.649 11.722 1.00 0.00 H new ATOM 0 HG22 VAL A 399 -0.997 -1.678 10.051 1.00 0.00 H new ATOM 0 HG23 VAL A 399 -0.444 -2.898 11.224 1.00 0.00 H new ATOM 439 N GLU A 400 3.558 -1.146 12.130 1.00 0.00 N ATOM 440 CA GLU A 400 4.721 -0.549 12.779 1.00 0.00 C ATOM 441 C GLU A 400 5.862 -0.336 11.787 1.00 0.00 C ATOM 442 O GLU A 400 6.602 0.643 11.882 1.00 0.00 O ATOM 443 CB GLU A 400 5.194 -1.434 13.934 1.00 0.00 C ATOM 444 CG GLU A 400 6.269 -0.788 14.793 1.00 0.00 C ATOM 445 CD GLU A 400 6.379 -1.421 16.165 1.00 0.00 C ATOM 446 OE1 GLU A 400 6.983 -2.509 16.271 1.00 0.00 O ATOM 447 OE2 GLU A 400 5.860 -0.829 17.136 1.00 0.00 O ATOM 0 H GLU A 400 3.351 -2.099 12.429 1.00 0.00 H new ATOM 0 HA GLU A 400 4.423 0.424 13.169 1.00 0.00 H new ATOM 0 HB2 GLU A 400 4.340 -1.684 14.563 1.00 0.00 H new ATOM 0 HB3 GLU A 400 5.578 -2.371 13.530 1.00 0.00 H new ATOM 0 HG2 GLU A 400 7.230 -0.864 14.284 1.00 0.00 H new ATOM 0 HG3 GLU A 400 6.050 0.274 14.904 1.00 0.00 H new ATOM 454 N ASP A 401 6.000 -1.255 10.838 1.00 0.00 N ATOM 455 CA ASP A 401 7.057 -1.164 9.835 1.00 0.00 C ATOM 456 C ASP A 401 6.721 -0.119 8.775 1.00 0.00 C ATOM 457 O ASP A 401 7.582 0.657 8.361 1.00 0.00 O ATOM 458 CB ASP A 401 7.278 -2.525 9.171 1.00 0.00 C ATOM 459 CG ASP A 401 8.609 -3.145 9.555 1.00 0.00 C ATOM 460 OD1 ASP A 401 9.657 -2.575 9.185 1.00 0.00 O ATOM 461 OD2 ASP A 401 8.602 -4.198 10.225 1.00 0.00 O ATOM 0 H ASP A 401 5.395 -2.070 10.741 1.00 0.00 H new ATOM 0 HA ASP A 401 7.973 -0.858 10.341 1.00 0.00 H new ATOM 0 HB2 ASP A 401 6.470 -3.200 9.454 1.00 0.00 H new ATOM 0 HB3 ASP A 401 7.232 -2.410 8.088 1.00 0.00 H new ATOM 466 N VAL A 402 5.464 -0.105 8.342 1.00 0.00 N ATOM 467 CA VAL A 402 5.015 0.842 7.328 1.00 0.00 C ATOM 468 C VAL A 402 5.049 2.277 7.852 1.00 0.00 C ATOM 469 O VAL A 402 5.279 3.218 7.092 1.00 0.00 O ATOM 470 CB VAL A 402 3.589 0.509 6.848 1.00 0.00 C ATOM 471 CG1 VAL A 402 3.110 1.528 5.824 1.00 0.00 C ATOM 472 CG2 VAL A 402 3.538 -0.898 6.270 1.00 0.00 C ATOM 0 H VAL A 402 4.739 -0.739 8.678 1.00 0.00 H new ATOM 0 HA VAL A 402 5.704 0.757 6.487 1.00 0.00 H new ATOM 0 HB VAL A 402 2.920 0.554 7.707 1.00 0.00 H new ATOM 0 HG11 VAL A 402 2.101 1.272 5.500 1.00 0.00 H new ATOM 0 HG12 VAL A 402 3.106 2.521 6.273 1.00 0.00 H new ATOM 0 HG13 VAL A 402 3.780 1.522 4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 402 2.524 -1.117 5.936 1.00 0.00 H new ATOM 0 HG22 VAL A 402 4.222 -0.969 5.424 1.00 0.00 H new ATOM 0 HG23 VAL A 402 3.831 -1.617 7.035 1.00 0.00 H new ATOM 482 N ARG A 403 4.823 2.437 9.152 1.00 0.00 N ATOM 483 CA ARG A 403 4.826 3.761 9.770 1.00 0.00 C ATOM 484 C ARG A 403 6.244 4.311 9.883 1.00 0.00 C ATOM 485 O ARG A 403 6.528 5.416 9.419 1.00 0.00 O ATOM 486 CB ARG A 403 4.177 3.707 11.153 1.00 0.00 C ATOM 487 CG ARG A 403 3.333 4.931 11.476 1.00 0.00 C ATOM 488 CD ARG A 403 2.266 4.611 12.510 1.00 0.00 C ATOM 489 NE ARG A 403 0.944 5.076 12.098 1.00 0.00 N ATOM 490 CZ ARG A 403 0.365 6.174 12.577 1.00 0.00 C ATOM 491 NH1 ARG A 403 0.991 6.922 13.473 1.00 0.00 N ATOM 492 NH2 ARG A 403 -0.844 6.522 12.157 1.00 0.00 N ATOM 0 H ARG A 403 4.636 1.670 9.797 1.00 0.00 H new ATOM 0 HA ARG A 403 4.248 4.429 9.131 1.00 0.00 H new ATOM 0 HB2 ARG A 403 3.551 2.817 11.217 1.00 0.00 H new ATOM 0 HB3 ARG A 403 4.957 3.604 11.908 1.00 0.00 H new ATOM 0 HG2 ARG A 403 3.975 5.730 11.848 1.00 0.00 H new ATOM 0 HG3 ARG A 403 2.861 5.300 10.566 1.00 0.00 H new ATOM 0 HD2 ARG A 403 2.235 3.534 12.677 1.00 0.00 H new ATOM 0 HD3 ARG A 403 2.533 5.074 13.460 1.00 0.00 H new ATOM 0 HE ARG A 403 0.436 4.528 11.404 1.00 0.00 H new ATOM 0 HH11 ARG A 403 1.921 6.657 13.798 1.00 0.00 H new ATOM 0 HH12 ARG A 403 0.543 7.763 13.838 1.00 0.00 H new ATOM 0 HH21 ARG A 403 -1.329 5.948 11.467 1.00 0.00 H new ATOM 0 HH22 ARG A 403 -1.289 7.364 12.524 1.00 0.00 H new ATOM 506 N ASP A 404 7.128 3.538 10.504 1.00 0.00 N ATOM 507 CA ASP A 404 8.515 3.952 10.678 1.00 0.00 C ATOM 508 C ASP A 404 9.187 4.175 9.328 1.00 0.00 C ATOM 509 O ASP A 404 10.137 4.952 9.218 1.00 0.00 O ATOM 510 CB ASP A 404 9.288 2.903 11.478 1.00 0.00 C ATOM 511 CG ASP A 404 9.220 3.148 12.972 1.00 0.00 C ATOM 512 OD1 ASP A 404 8.112 3.423 13.478 1.00 0.00 O ATOM 513 OD2 ASP A 404 10.275 3.066 13.636 1.00 0.00 O ATOM 0 H ASP A 404 6.909 2.622 10.895 1.00 0.00 H new ATOM 0 HA ASP A 404 8.521 4.893 11.228 1.00 0.00 H new ATOM 0 HB2 ASP A 404 8.887 1.914 11.256 1.00 0.00 H new ATOM 0 HB3 ASP A 404 10.331 2.903 11.160 1.00 0.00 H new ATOM 518 N GLU A 405 8.689 3.491 8.304 1.00 0.00 N ATOM 519 CA GLU A 405 9.240 3.613 6.959 1.00 0.00 C ATOM 520 C GLU A 405 8.785 4.911 6.300 1.00 0.00 C ATOM 521 O GLU A 405 9.605 5.734 5.897 1.00 0.00 O ATOM 522 CB GLU A 405 8.820 2.420 6.102 1.00 0.00 C ATOM 523 CG GLU A 405 9.833 1.288 6.100 1.00 0.00 C ATOM 524 CD GLU A 405 11.121 1.660 5.389 1.00 0.00 C ATOM 525 OE1 GLU A 405 11.050 2.079 4.216 1.00 0.00 O ATOM 526 OE2 GLU A 405 12.198 1.530 6.007 1.00 0.00 O ATOM 0 H GLU A 405 7.903 2.845 8.380 1.00 0.00 H new ATOM 0 HA GLU A 405 10.327 3.628 7.040 1.00 0.00 H new ATOM 0 HB2 GLU A 405 7.864 2.041 6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 405 8.661 2.757 5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 405 10.058 1.005 7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 405 9.395 0.414 5.618 1.00 0.00 H new ATOM 533 N CYS A 406 7.471 5.085 6.195 1.00 0.00 N ATOM 534 CA CYS A 406 6.905 6.283 5.586 1.00 0.00 C ATOM 535 C CYS A 406 7.385 7.538 6.310 1.00 0.00 C ATOM 536 O CYS A 406 7.398 8.630 5.742 1.00 0.00 O ATOM 537 CB CYS A 406 5.376 6.218 5.615 1.00 0.00 C ATOM 538 SG CYS A 406 4.657 5.183 4.318 1.00 0.00 S ATOM 0 H CYS A 406 6.779 4.412 6.524 1.00 0.00 H new ATOM 0 HA CYS A 406 7.242 6.330 4.550 1.00 0.00 H new ATOM 0 HB2 CYS A 406 5.057 5.839 6.586 1.00 0.00 H new ATOM 0 HB3 CYS A 406 4.978 7.228 5.521 1.00 0.00 H new ATOM 0 HG CYS A 406 4.346 4.021 4.812 1.00 0.00 H new ATOM 544 N SER A 407 7.779 7.371 7.570 1.00 0.00 N ATOM 545 CA SER A 407 8.259 8.485 8.381 1.00 0.00 C ATOM 546 C SER A 407 9.771 8.660 8.251 1.00 0.00 C ATOM 547 O SER A 407 10.420 9.193 9.151 1.00 0.00 O ATOM 548 CB SER A 407 7.886 8.265 9.849 1.00 0.00 C ATOM 549 OG SER A 407 8.687 7.252 10.434 1.00 0.00 O ATOM 0 H SER A 407 7.775 6.472 8.052 1.00 0.00 H new ATOM 0 HA SER A 407 7.781 9.394 8.016 1.00 0.00 H new ATOM 0 HB2 SER A 407 8.010 9.196 10.402 1.00 0.00 H new ATOM 0 HB3 SER A 407 6.834 7.989 9.922 1.00 0.00 H new ATOM 0 HG SER A 407 9.038 6.666 9.731 1.00 0.00 H new ATOM 555 N LYS A 408 10.327 8.214 7.128 1.00 0.00 N ATOM 556 CA LYS A 408 11.764 8.330 6.888 1.00 0.00 C ATOM 557 C LYS A 408 12.047 9.317 5.763 1.00 0.00 C ATOM 558 O LYS A 408 13.169 9.803 5.617 1.00 0.00 O ATOM 559 CB LYS A 408 12.366 6.964 6.548 1.00 0.00 C ATOM 560 CG LYS A 408 12.758 6.150 7.768 1.00 0.00 C ATOM 561 CD LYS A 408 13.898 5.193 7.459 1.00 0.00 C ATOM 562 CE LYS A 408 14.947 5.203 8.558 1.00 0.00 C ATOM 563 NZ LYS A 408 16.298 4.849 8.040 1.00 0.00 N ATOM 0 H LYS A 408 9.807 7.770 6.371 1.00 0.00 H new ATOM 0 HA LYS A 408 12.228 8.701 7.802 1.00 0.00 H new ATOM 0 HB2 LYS A 408 11.646 6.396 5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 408 13.246 7.110 5.921 1.00 0.00 H new ATOM 0 HG2 LYS A 408 13.054 6.821 8.574 1.00 0.00 H new ATOM 0 HG3 LYS A 408 11.895 5.586 8.123 1.00 0.00 H new ATOM 0 HD2 LYS A 408 13.505 4.184 7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 408 14.360 5.470 6.511 1.00 0.00 H new ATOM 0 HE2 LYS A 408 14.982 6.191 9.018 1.00 0.00 H new ATOM 0 HE3 LYS A 408 14.661 4.498 9.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 16.985 4.867 8.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 16.272 3.896 7.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 16.582 5.536 7.313 1.00 0.00 H new ATOM 577 N TYR A 409 11.021 9.607 4.969 1.00 0.00 N ATOM 578 CA TYR A 409 11.155 10.539 3.855 1.00 0.00 C ATOM 579 C TYR A 409 10.442 11.850 4.163 1.00 0.00 C ATOM 580 O TYR A 409 10.602 12.840 3.450 1.00 0.00 O ATOM 581 CB TYR A 409 10.584 9.928 2.574 1.00 0.00 C ATOM 582 CG TYR A 409 10.731 8.426 2.499 1.00 0.00 C ATOM 583 CD1 TYR A 409 11.879 7.847 1.972 1.00 0.00 C ATOM 584 CD2 TYR A 409 9.721 7.586 2.955 1.00 0.00 C ATOM 585 CE1 TYR A 409 12.017 6.475 1.900 1.00 0.00 C ATOM 586 CE2 TYR A 409 9.853 6.212 2.886 1.00 0.00 C ATOM 587 CZ TYR A 409 11.002 5.662 2.358 1.00 0.00 C ATOM 588 OH TYR A 409 11.138 4.295 2.290 1.00 0.00 O ATOM 0 H TYR A 409 10.088 9.210 5.076 1.00 0.00 H new ATOM 0 HA TYR A 409 12.216 10.741 3.709 1.00 0.00 H new ATOM 0 HB2 TYR A 409 9.527 10.185 2.499 1.00 0.00 H new ATOM 0 HB3 TYR A 409 11.083 10.376 1.715 1.00 0.00 H new ATOM 0 HD1 TYR A 409 12.676 8.481 1.613 1.00 0.00 H new ATOM 0 HD2 TYR A 409 8.820 8.014 3.369 1.00 0.00 H new ATOM 0 HE1 TYR A 409 12.916 6.041 1.487 1.00 0.00 H new ATOM 0 HE2 TYR A 409 9.060 5.572 3.244 1.00 0.00 H new ATOM 0 HH TYR A 409 11.054 3.913 3.189 1.00 0.00 H new ATOM 598 N GLY A 410 9.653 11.846 5.233 1.00 0.00 N ATOM 599 CA GLY A 410 8.925 13.038 5.622 1.00 0.00 C ATOM 600 C GLY A 410 7.942 12.777 6.744 1.00 0.00 C ATOM 601 O GLY A 410 8.241 12.034 7.680 1.00 0.00 O ATOM 0 H GLY A 410 9.505 11.038 5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 410 9.632 13.806 5.934 1.00 0.00 H new ATOM 0 HA3 GLY A 410 8.389 13.431 4.758 1.00 0.00 H new ATOM 605 N LEU A 411 6.765 13.389 6.651 1.00 0.00 N ATOM 606 CA LEU A 411 5.735 13.222 7.670 1.00 0.00 C ATOM 607 C LEU A 411 4.517 12.494 7.111 1.00 0.00 C ATOM 608 O LEU A 411 4.089 12.750 5.986 1.00 0.00 O ATOM 609 CB LEU A 411 5.310 14.586 8.225 1.00 0.00 C ATOM 610 CG LEU A 411 5.608 14.819 9.709 1.00 0.00 C ATOM 611 CD1 LEU A 411 5.132 13.647 10.556 1.00 0.00 C ATOM 612 CD2 LEU A 411 7.093 15.061 9.911 1.00 0.00 C ATOM 0 H LEU A 411 6.501 14.004 5.881 1.00 0.00 H new ATOM 0 HA LEU A 411 6.158 12.619 8.474 1.00 0.00 H new ATOM 0 HB2 LEU A 411 5.807 15.364 7.646 1.00 0.00 H new ATOM 0 HB3 LEU A 411 4.238 14.705 8.065 1.00 0.00 H new ATOM 0 HG LEU A 411 5.061 15.704 10.034 1.00 0.00 H new ATOM 0 HD11 LEU A 411 5.357 13.841 11.605 1.00 0.00 H new ATOM 0 HD12 LEU A 411 4.056 13.522 10.433 1.00 0.00 H new ATOM 0 HD13 LEU A 411 5.641 12.737 10.238 1.00 0.00 H new ATOM 0 HD21 LEU A 411 7.294 15.226 10.970 1.00 0.00 H new ATOM 0 HD22 LEU A 411 7.653 14.192 9.566 1.00 0.00 H new ATOM 0 HD23 LEU A 411 7.399 15.939 9.343 1.00 0.00 H new ATOM 624 N VAL A 412 3.968 11.584 7.909 1.00 0.00 N ATOM 625 CA VAL A 412 2.789 10.825 7.510 1.00 0.00 C ATOM 626 C VAL A 412 1.665 11.014 8.525 1.00 0.00 C ATOM 627 O VAL A 412 1.784 10.602 9.680 1.00 0.00 O ATOM 628 CB VAL A 412 3.106 9.318 7.360 1.00 0.00 C ATOM 629 CG1 VAL A 412 3.848 8.794 8.578 1.00 0.00 C ATOM 630 CG2 VAL A 412 1.832 8.518 7.126 1.00 0.00 C ATOM 0 H VAL A 412 4.322 11.354 8.838 1.00 0.00 H new ATOM 0 HA VAL A 412 2.470 11.205 6.540 1.00 0.00 H new ATOM 0 HB VAL A 412 3.752 9.197 6.490 1.00 0.00 H new ATOM 0 HG11 VAL A 412 4.059 7.733 8.447 1.00 0.00 H new ATOM 0 HG12 VAL A 412 4.785 9.338 8.695 1.00 0.00 H new ATOM 0 HG13 VAL A 412 3.233 8.935 9.467 1.00 0.00 H new ATOM 0 HG21 VAL A 412 2.079 7.461 7.024 1.00 0.00 H new ATOM 0 HG22 VAL A 412 1.158 8.652 7.972 1.00 0.00 H new ATOM 0 HG23 VAL A 412 1.346 8.867 6.215 1.00 0.00 H new ATOM 640 N LYS A 413 0.581 11.656 8.089 1.00 0.00 N ATOM 641 CA LYS A 413 -0.567 11.909 8.958 1.00 0.00 C ATOM 642 C LYS A 413 -0.950 10.657 9.738 1.00 0.00 C ATOM 643 O LYS A 413 -0.846 10.619 10.964 1.00 0.00 O ATOM 644 CB LYS A 413 -1.766 12.389 8.136 1.00 0.00 C ATOM 645 CG LYS A 413 -1.637 13.818 7.637 1.00 0.00 C ATOM 646 CD LYS A 413 -2.748 14.164 6.663 1.00 0.00 C ATOM 647 CE LYS A 413 -3.871 14.928 7.346 1.00 0.00 C ATOM 648 NZ LYS A 413 -4.844 15.483 6.365 1.00 0.00 N ATOM 0 H LYS A 413 0.474 12.010 7.138 1.00 0.00 H new ATOM 0 HA LYS A 413 -0.282 12.687 9.666 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -1.897 11.726 7.281 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -2.667 12.307 8.744 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -1.665 14.505 8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -0.670 13.950 7.151 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -2.344 14.762 5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -3.145 13.249 6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -4.391 14.266 8.038 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -3.449 15.740 7.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -5.593 15.996 6.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -4.353 16.135 5.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -5.266 14.706 5.817 1.00 0.00 H new ATOM 662 N SER A 414 -1.390 9.633 9.016 1.00 0.00 N ATOM 663 CA SER A 414 -1.791 8.375 9.634 1.00 0.00 C ATOM 664 C SER A 414 -1.658 7.225 8.643 1.00 0.00 C ATOM 665 O SER A 414 -1.147 7.404 7.539 1.00 0.00 O ATOM 666 CB SER A 414 -3.232 8.463 10.142 1.00 0.00 C ATOM 667 OG SER A 414 -3.601 9.806 10.405 1.00 0.00 O ATOM 0 H SER A 414 -1.478 9.650 8.000 1.00 0.00 H new ATOM 0 HA SER A 414 -1.131 8.186 10.480 1.00 0.00 H new ATOM 0 HB2 SER A 414 -3.908 8.035 9.402 1.00 0.00 H new ATOM 0 HB3 SER A 414 -3.337 7.870 11.050 1.00 0.00 H new ATOM 0 HG SER A 414 -4.526 9.834 10.727 1.00 0.00 H new ATOM 673 N ILE A 415 -2.117 6.045 9.046 1.00 0.00 N ATOM 674 CA ILE A 415 -2.053 4.866 8.189 1.00 0.00 C ATOM 675 C ILE A 415 -3.250 3.952 8.425 1.00 0.00 C ATOM 676 O ILE A 415 -3.620 3.680 9.567 1.00 0.00 O ATOM 677 CB ILE A 415 -0.758 4.059 8.423 1.00 0.00 C ATOM 678 CG1 ILE A 415 0.472 4.912 8.102 1.00 0.00 C ATOM 679 CG2 ILE A 415 -0.769 2.788 7.582 1.00 0.00 C ATOM 680 CD1 ILE A 415 1.782 4.162 8.206 1.00 0.00 C ATOM 0 H ILE A 415 -2.537 5.879 9.960 1.00 0.00 H new ATOM 0 HA ILE A 415 -2.064 5.227 7.161 1.00 0.00 H new ATOM 0 HB ILE A 415 -0.709 3.776 9.474 1.00 0.00 H new ATOM 0 HG12 ILE A 415 0.372 5.311 7.093 1.00 0.00 H new ATOM 0 HG13 ILE A 415 0.498 5.765 8.781 1.00 0.00 H new ATOM 0 HG21 ILE A 415 0.150 2.228 7.756 1.00 0.00 H new ATOM 0 HG22 ILE A 415 -1.626 2.175 7.861 1.00 0.00 H new ATOM 0 HG23 ILE A 415 -0.839 3.051 6.526 1.00 0.00 H new ATOM 0 HD11 ILE A 415 2.606 4.833 7.964 1.00 0.00 H new ATOM 0 HD12 ILE A 415 1.906 3.786 9.222 1.00 0.00 H new ATOM 0 HD13 ILE A 415 1.779 3.325 7.507 1.00 0.00 H new ATOM 692 N GLU A 416 -3.850 3.479 7.337 1.00 0.00 N ATOM 693 CA GLU A 416 -4.997 2.586 7.427 1.00 0.00 C ATOM 694 C GLU A 416 -4.654 1.224 6.835 1.00 0.00 C ATOM 695 O GLU A 416 -4.421 1.096 5.632 1.00 0.00 O ATOM 696 CB GLU A 416 -6.207 3.186 6.712 1.00 0.00 C ATOM 697 CG GLU A 416 -6.253 4.705 6.763 1.00 0.00 C ATOM 698 CD GLU A 416 -7.669 5.242 6.827 1.00 0.00 C ATOM 699 OE1 GLU A 416 -8.323 5.321 5.766 1.00 0.00 O ATOM 700 OE2 GLU A 416 -8.124 5.586 7.938 1.00 0.00 O ATOM 0 H GLU A 416 -3.560 3.700 6.384 1.00 0.00 H new ATOM 0 HA GLU A 416 -5.250 2.457 8.479 1.00 0.00 H new ATOM 0 HB2 GLU A 416 -6.198 2.866 5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 416 -7.117 2.788 7.160 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -5.696 5.053 7.633 1.00 0.00 H new ATOM 0 HG3 GLU A 416 -5.754 5.110 5.883 1.00 0.00 H new ATOM 707 N ILE A 417 -4.623 0.213 7.692 1.00 0.00 N ATOM 708 CA ILE A 417 -4.290 -1.145 7.276 1.00 0.00 C ATOM 709 C ILE A 417 -5.304 -2.152 7.823 1.00 0.00 C ATOM 710 O ILE A 417 -5.266 -2.495 9.004 1.00 0.00 O ATOM 711 CB ILE A 417 -2.870 -1.523 7.750 1.00 0.00 C ATOM 712 CG1 ILE A 417 -1.868 -0.478 7.257 1.00 0.00 C ATOM 713 CG2 ILE A 417 -2.479 -2.912 7.266 1.00 0.00 C ATOM 714 CD1 ILE A 417 -0.478 -0.644 7.829 1.00 0.00 C ATOM 0 H ILE A 417 -4.826 0.308 8.687 1.00 0.00 H new ATOM 0 HA ILE A 417 -4.323 -1.177 6.187 1.00 0.00 H new ATOM 0 HB ILE A 417 -2.861 -1.541 8.840 1.00 0.00 H new ATOM 0 HG12 ILE A 417 -1.811 -0.528 6.170 1.00 0.00 H new ATOM 0 HG13 ILE A 417 -2.239 0.515 7.511 1.00 0.00 H new ATOM 0 HG21 ILE A 417 -1.474 -3.150 7.616 1.00 0.00 H new ATOM 0 HG22 ILE A 417 -3.183 -3.646 7.659 1.00 0.00 H new ATOM 0 HG23 ILE A 417 -2.499 -2.937 6.176 1.00 0.00 H new ATOM 0 HD11 ILE A 417 0.174 0.134 7.432 1.00 0.00 H new ATOM 0 HD12 ILE A 417 -0.520 -0.563 8.915 1.00 0.00 H new ATOM 0 HD13 ILE A 417 -0.085 -1.623 7.553 1.00 0.00 H new ATOM 726 N PRO A 418 -6.231 -2.634 6.965 1.00 0.00 N ATOM 727 CA PRO A 418 -7.264 -3.597 7.368 1.00 0.00 C ATOM 728 C PRO A 418 -6.714 -4.765 8.180 1.00 0.00 C ATOM 729 O PRO A 418 -5.528 -5.087 8.108 1.00 0.00 O ATOM 730 CB PRO A 418 -7.819 -4.092 6.033 1.00 0.00 C ATOM 731 CG PRO A 418 -7.623 -2.946 5.103 1.00 0.00 C ATOM 732 CD PRO A 418 -6.348 -2.276 5.536 1.00 0.00 C ATOM 0 HA PRO A 418 -8.006 -3.137 8.020 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -7.289 -4.980 5.687 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -8.872 -4.361 6.116 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -7.553 -3.289 4.071 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -8.464 -2.254 5.153 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -5.493 -2.634 4.962 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -6.396 -1.196 5.397 1.00 0.00 H new ATOM 740 N ARG A 419 -7.596 -5.396 8.951 1.00 0.00 N ATOM 741 CA ARG A 419 -7.225 -6.529 9.785 1.00 0.00 C ATOM 742 C ARG A 419 -8.383 -7.519 9.861 1.00 0.00 C ATOM 743 O ARG A 419 -9.125 -7.541 10.843 1.00 0.00 O ATOM 744 CB ARG A 419 -6.843 -6.059 11.190 1.00 0.00 C ATOM 745 CG ARG A 419 -6.163 -7.130 12.026 1.00 0.00 C ATOM 746 CD ARG A 419 -7.066 -7.621 13.147 1.00 0.00 C ATOM 747 NE ARG A 419 -7.213 -9.075 13.135 1.00 0.00 N ATOM 748 CZ ARG A 419 -7.824 -9.762 14.096 1.00 0.00 C ATOM 749 NH1 ARG A 419 -8.352 -9.132 15.137 1.00 0.00 N ATOM 750 NH2 ARG A 419 -7.910 -11.083 14.013 1.00 0.00 N ATOM 0 H ARG A 419 -8.580 -5.136 9.013 1.00 0.00 H new ATOM 0 HA ARG A 419 -6.362 -7.022 9.339 1.00 0.00 H new ATOM 0 HB2 ARG A 419 -6.179 -5.198 11.108 1.00 0.00 H new ATOM 0 HB3 ARG A 419 -7.741 -5.721 11.708 1.00 0.00 H new ATOM 0 HG2 ARG A 419 -5.885 -7.969 11.388 1.00 0.00 H new ATOM 0 HG3 ARG A 419 -5.241 -6.732 12.449 1.00 0.00 H new ATOM 0 HD2 ARG A 419 -6.656 -7.306 14.107 1.00 0.00 H new ATOM 0 HD3 ARG A 419 -8.048 -7.157 13.052 1.00 0.00 H new ATOM 0 HE ARG A 419 -6.825 -9.592 12.346 1.00 0.00 H new ATOM 0 HH11 ARG A 419 -8.291 -8.116 15.203 1.00 0.00 H new ATOM 0 HH12 ARG A 419 -8.820 -9.664 15.871 1.00 0.00 H new ATOM 0 HH21 ARG A 419 -7.508 -11.571 13.213 1.00 0.00 H new ATOM 0 HH22 ARG A 419 -8.378 -11.611 14.749 1.00 0.00 H new ATOM 764 N PRO A 420 -8.558 -8.346 8.814 1.00 0.00 N ATOM 765 CA PRO A 420 -9.640 -9.331 8.759 1.00 0.00 C ATOM 766 C PRO A 420 -9.791 -10.109 10.060 1.00 0.00 C ATOM 767 O PRO A 420 -8.865 -10.793 10.497 1.00 0.00 O ATOM 768 CB PRO A 420 -9.207 -10.256 7.626 1.00 0.00 C ATOM 769 CG PRO A 420 -8.404 -9.392 6.720 1.00 0.00 C ATOM 770 CD PRO A 420 -7.713 -8.388 7.602 1.00 0.00 C ATOM 0 HA PRO A 420 -10.612 -8.863 8.602 1.00 0.00 H new ATOM 0 HB2 PRO A 420 -8.617 -11.093 8.001 1.00 0.00 H new ATOM 0 HB3 PRO A 420 -10.068 -10.679 7.109 1.00 0.00 H new ATOM 0 HG2 PRO A 420 -7.679 -9.983 6.160 1.00 0.00 H new ATOM 0 HG3 PRO A 420 -9.042 -8.895 5.990 1.00 0.00 H new ATOM 0 HD2 PRO A 420 -6.693 -8.695 7.835 1.00 0.00 H new ATOM 0 HD3 PRO A 420 -7.650 -7.411 7.123 1.00 0.00 H new ATOM 778 N VAL A 421 -10.966 -10.000 10.677 1.00 0.00 N ATOM 779 CA VAL A 421 -11.230 -10.691 11.932 1.00 0.00 C ATOM 780 C VAL A 421 -11.502 -12.170 11.705 1.00 0.00 C ATOM 781 O VAL A 421 -12.614 -12.560 11.349 1.00 0.00 O ATOM 782 CB VAL A 421 -12.410 -10.066 12.699 1.00 0.00 C ATOM 783 CG1 VAL A 421 -12.718 -10.875 13.951 1.00 0.00 C ATOM 784 CG2 VAL A 421 -12.111 -8.617 13.050 1.00 0.00 C ATOM 0 H VAL A 421 -11.745 -9.442 10.328 1.00 0.00 H new ATOM 0 HA VAL A 421 -10.329 -10.582 12.536 1.00 0.00 H new ATOM 0 HB VAL A 421 -13.290 -10.084 12.056 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -13.554 -10.420 14.482 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -12.979 -11.895 13.670 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -11.842 -10.890 14.599 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -12.956 -8.192 13.592 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -11.219 -8.571 13.675 1.00 0.00 H new ATOM 0 HG23 VAL A 421 -11.943 -8.048 12.135 1.00 0.00 H new ATOM 794 N ASP A 422 -10.474 -12.991 11.914 1.00 0.00 N ATOM 795 CA ASP A 422 -10.597 -14.428 11.725 1.00 0.00 C ATOM 796 C ASP A 422 -11.068 -14.703 10.310 1.00 0.00 C ATOM 797 O ASP A 422 -11.596 -15.773 10.003 1.00 0.00 O ATOM 798 CB ASP A 422 -11.574 -15.026 12.740 1.00 0.00 C ATOM 799 CG ASP A 422 -11.163 -16.414 13.194 1.00 0.00 C ATOM 800 OD1 ASP A 422 -9.963 -16.614 13.477 1.00 0.00 O ATOM 801 OD2 ASP A 422 -12.041 -17.298 13.266 1.00 0.00 O ATOM 0 H ASP A 422 -9.549 -12.682 12.214 1.00 0.00 H new ATOM 0 HA ASP A 422 -9.625 -14.896 11.882 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -11.640 -14.368 13.607 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -12.569 -15.072 12.298 1.00 0.00 H new ATOM 806 N GLY A 423 -10.862 -13.711 9.454 1.00 0.00 N ATOM 807 CA GLY A 423 -11.273 -13.805 8.075 1.00 0.00 C ATOM 808 C GLY A 423 -12.521 -12.989 7.814 1.00 0.00 C ATOM 809 O GLY A 423 -13.394 -13.400 7.048 1.00 0.00 O ATOM 0 H GLY A 423 -10.410 -12.831 9.700 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -10.467 -13.457 7.429 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -11.458 -14.848 7.819 1.00 0.00 H new ATOM 813 N VAL A 424 -12.607 -11.825 8.458 1.00 0.00 N ATOM 814 CA VAL A 424 -13.765 -10.954 8.309 1.00 0.00 C ATOM 815 C VAL A 424 -13.591 -9.963 7.155 1.00 0.00 C ATOM 816 O VAL A 424 -14.432 -9.887 6.260 1.00 0.00 O ATOM 817 CB VAL A 424 -14.071 -10.187 9.616 1.00 0.00 C ATOM 818 CG1 VAL A 424 -14.643 -8.802 9.333 1.00 0.00 C ATOM 819 CG2 VAL A 424 -15.031 -10.990 10.481 1.00 0.00 C ATOM 0 H VAL A 424 -11.888 -11.467 9.086 1.00 0.00 H new ATOM 0 HA VAL A 424 -14.610 -11.603 8.078 1.00 0.00 H new ATOM 0 HB VAL A 424 -13.132 -10.053 10.153 1.00 0.00 H new ATOM 0 HG11 VAL A 424 -14.846 -8.293 10.275 1.00 0.00 H new ATOM 0 HG12 VAL A 424 -13.924 -8.222 8.755 1.00 0.00 H new ATOM 0 HG13 VAL A 424 -15.569 -8.900 8.767 1.00 0.00 H new ATOM 0 HG21 VAL A 424 -15.240 -10.441 11.399 1.00 0.00 H new ATOM 0 HG22 VAL A 424 -15.961 -11.154 9.937 1.00 0.00 H new ATOM 0 HG23 VAL A 424 -14.581 -11.952 10.728 1.00 0.00 H new ATOM 874 N GLY A 428 -11.257 -7.857 0.078 1.00 0.00 N ATOM 875 CA GLY A 428 -10.639 -6.568 -0.161 1.00 0.00 C ATOM 876 C GLY A 428 -9.273 -6.473 0.489 1.00 0.00 C ATOM 877 O GLY A 428 -8.517 -5.536 0.234 1.00 0.00 O ATOM 0 HA2 GLY A 428 -10.544 -6.403 -1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 428 -11.282 -5.778 0.227 1.00 0.00 H new ATOM 881 N CYS A 429 -8.959 -7.455 1.334 1.00 0.00 N ATOM 882 CA CYS A 429 -7.676 -7.491 2.030 1.00 0.00 C ATOM 883 C CYS A 429 -6.522 -7.628 1.040 1.00 0.00 C ATOM 884 O CYS A 429 -6.728 -7.973 -0.124 1.00 0.00 O ATOM 885 CB CYS A 429 -7.643 -8.654 3.023 1.00 0.00 C ATOM 886 SG CYS A 429 -6.250 -8.601 4.174 1.00 0.00 S ATOM 0 H CYS A 429 -9.577 -8.236 1.552 1.00 0.00 H new ATOM 0 HA CYS A 429 -7.561 -6.552 2.571 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -8.572 -8.657 3.593 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -7.606 -9.591 2.468 1.00 0.00 H new ATOM 0 HG CYS A 429 -5.183 -9.053 3.585 1.00 0.00 H new ATOM 892 N GLY A 430 -5.309 -7.352 1.511 1.00 0.00 N ATOM 893 CA GLY A 430 -4.140 -7.456 0.658 1.00 0.00 C ATOM 894 C GLY A 430 -3.681 -6.114 0.124 1.00 0.00 C ATOM 895 O GLY A 430 -2.659 -6.028 -0.557 1.00 0.00 O ATOM 0 H GLY A 430 -5.116 -7.058 2.468 1.00 0.00 H new ATOM 0 HA2 GLY A 430 -3.326 -7.916 1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 430 -4.364 -8.117 -0.179 1.00 0.00 H new ATOM 899 N LYS A 431 -4.434 -5.062 0.432 1.00 0.00 N ATOM 900 CA LYS A 431 -4.092 -3.719 -0.026 1.00 0.00 C ATOM 901 C LYS A 431 -4.268 -2.698 1.093 1.00 0.00 C ATOM 902 O LYS A 431 -5.375 -2.496 1.593 1.00 0.00 O ATOM 903 CB LYS A 431 -4.950 -3.323 -1.231 1.00 0.00 C ATOM 904 CG LYS A 431 -5.906 -4.411 -1.695 1.00 0.00 C ATOM 905 CD LYS A 431 -6.850 -3.899 -2.770 1.00 0.00 C ATOM 906 CE LYS A 431 -6.763 -4.736 -4.035 1.00 0.00 C ATOM 907 NZ LYS A 431 -7.608 -4.179 -5.127 1.00 0.00 N ATOM 0 H LYS A 431 -5.283 -5.113 0.995 1.00 0.00 H new ATOM 0 HA LYS A 431 -3.044 -3.728 -0.326 1.00 0.00 H new ATOM 0 HB2 LYS A 431 -5.525 -2.432 -0.977 1.00 0.00 H new ATOM 0 HB3 LYS A 431 -4.294 -3.054 -2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 431 -5.337 -5.257 -2.081 1.00 0.00 H new ATOM 0 HG3 LYS A 431 -6.483 -4.776 -0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 431 -7.873 -3.913 -2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 431 -6.610 -2.861 -3.002 1.00 0.00 H new ATOM 0 HE2 LYS A 431 -5.726 -4.785 -4.367 1.00 0.00 H new ATOM 0 HE3 LYS A 431 -7.077 -5.757 -3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 -7.522 -4.778 -5.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 -8.601 -4.155 -4.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 -7.292 -3.214 -5.352 1.00 0.00 H new ATOM 921 N ILE A 432 -3.169 -2.059 1.482 1.00 0.00 N ATOM 922 CA ILE A 432 -3.198 -1.056 2.538 1.00 0.00 C ATOM 923 C ILE A 432 -2.599 0.254 2.038 1.00 0.00 C ATOM 924 O ILE A 432 -2.031 0.297 0.948 1.00 0.00 O ATOM 925 CB ILE A 432 -2.466 -1.557 3.804 1.00 0.00 C ATOM 926 CG1 ILE A 432 -0.950 -1.618 3.579 1.00 0.00 C ATOM 927 CG2 ILE A 432 -3.005 -2.928 4.176 1.00 0.00 C ATOM 928 CD1 ILE A 432 -0.145 -2.030 4.792 1.00 0.00 C ATOM 0 H ILE A 432 -2.246 -2.219 1.080 1.00 0.00 H new ATOM 0 HA ILE A 432 -4.237 -0.876 2.812 1.00 0.00 H new ATOM 0 HB ILE A 432 -2.647 -0.857 4.620 1.00 0.00 H new ATOM 0 HG12 ILE A 432 -0.745 -2.318 2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 432 -0.606 -0.638 3.248 1.00 0.00 H new ATOM 0 HG21 ILE A 432 -2.494 -3.290 5.068 1.00 0.00 H new ATOM 0 HG22 ILE A 432 -4.075 -2.857 4.374 1.00 0.00 H new ATOM 0 HG23 ILE A 432 -2.833 -3.622 3.353 1.00 0.00 H new ATOM 0 HD11 ILE A 432 0.915 -2.045 4.537 1.00 0.00 H new ATOM 0 HD12 ILE A 432 -0.314 -1.318 5.600 1.00 0.00 H new ATOM 0 HD13 ILE A 432 -0.455 -3.024 5.114 1.00 0.00 H new ATOM 940 N PHE A 433 -2.721 1.323 2.822 1.00 0.00 N ATOM 941 CA PHE A 433 -2.207 2.622 2.394 1.00 0.00 C ATOM 942 C PHE A 433 -1.883 3.529 3.575 1.00 0.00 C ATOM 943 O PHE A 433 -2.132 3.181 4.729 1.00 0.00 O ATOM 944 CB PHE A 433 -3.230 3.305 1.487 1.00 0.00 C ATOM 945 CG PHE A 433 -4.647 3.133 1.954 1.00 0.00 C ATOM 946 CD1 PHE A 433 -5.162 3.941 2.954 1.00 0.00 C ATOM 947 CD2 PHE A 433 -5.463 2.159 1.399 1.00 0.00 C ATOM 948 CE1 PHE A 433 -6.462 3.783 3.391 1.00 0.00 C ATOM 949 CE2 PHE A 433 -6.764 1.997 1.833 1.00 0.00 C ATOM 950 CZ PHE A 433 -7.265 2.809 2.831 1.00 0.00 C ATOM 0 H PHE A 433 -3.163 1.318 3.741 1.00 0.00 H new ATOM 0 HA PHE A 433 -1.279 2.446 1.850 1.00 0.00 H new ATOM 0 HB2 PHE A 433 -3.001 4.369 1.429 1.00 0.00 H new ATOM 0 HB3 PHE A 433 -3.136 2.903 0.478 1.00 0.00 H new ATOM 0 HD1 PHE A 433 -4.539 4.704 3.397 1.00 0.00 H new ATOM 0 HD2 PHE A 433 -5.077 1.520 0.619 1.00 0.00 H new ATOM 0 HE1 PHE A 433 -6.851 4.421 4.171 1.00 0.00 H new ATOM 0 HE2 PHE A 433 -7.390 1.235 1.392 1.00 0.00 H new ATOM 0 HZ PHE A 433 -8.282 2.683 3.173 1.00 0.00 H new ATOM 960 N VAL A 434 -1.327 4.700 3.267 1.00 0.00 N ATOM 961 CA VAL A 434 -0.961 5.673 4.288 1.00 0.00 C ATOM 962 C VAL A 434 -1.360 7.088 3.878 1.00 0.00 C ATOM 963 O VAL A 434 -1.281 7.455 2.702 1.00 0.00 O ATOM 964 CB VAL A 434 0.555 5.648 4.575 1.00 0.00 C ATOM 965 CG1 VAL A 434 1.035 4.224 4.788 1.00 0.00 C ATOM 966 CG2 VAL A 434 1.338 6.309 3.453 1.00 0.00 C ATOM 0 H VAL A 434 -1.121 4.996 2.313 1.00 0.00 H new ATOM 0 HA VAL A 434 -1.503 5.393 5.191 1.00 0.00 H new ATOM 0 HB VAL A 434 0.731 6.216 5.489 1.00 0.00 H new ATOM 0 HG11 VAL A 434 2.106 4.227 4.989 1.00 0.00 H new ATOM 0 HG12 VAL A 434 0.508 3.785 5.635 1.00 0.00 H new ATOM 0 HG13 VAL A 434 0.836 3.635 3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 434 2.403 6.276 3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 434 1.153 5.779 2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 434 1.021 7.347 3.350 1.00 0.00 H new ATOM 976 N GLU A 435 -1.795 7.874 4.856 1.00 0.00 N ATOM 977 CA GLU A 435 -2.188 9.253 4.615 1.00 0.00 C ATOM 978 C GLU A 435 -0.998 10.172 4.851 1.00 0.00 C ATOM 979 O GLU A 435 -0.551 10.348 5.985 1.00 0.00 O ATOM 980 CB GLU A 435 -3.350 9.647 5.528 1.00 0.00 C ATOM 981 CG GLU A 435 -4.042 10.936 5.111 1.00 0.00 C ATOM 982 CD GLU A 435 -5.044 11.420 6.140 1.00 0.00 C ATOM 983 OE1 GLU A 435 -4.762 11.293 7.351 1.00 0.00 O ATOM 984 OE2 GLU A 435 -6.112 11.926 5.736 1.00 0.00 O ATOM 0 H GLU A 435 -1.884 7.576 5.827 1.00 0.00 H new ATOM 0 HA GLU A 435 -2.518 9.351 3.581 1.00 0.00 H new ATOM 0 HB2 GLU A 435 -4.082 8.839 5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 435 -2.979 9.757 6.547 1.00 0.00 H new ATOM 0 HG2 GLU A 435 -3.292 11.710 4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 435 -4.551 10.779 4.160 1.00 0.00 H new ATOM 991 N PHE A 436 -0.491 10.756 3.773 1.00 0.00 N ATOM 992 CA PHE A 436 0.662 11.643 3.852 1.00 0.00 C ATOM 993 C PHE A 436 0.249 13.085 4.125 1.00 0.00 C ATOM 994 O PHE A 436 -0.937 13.414 4.144 1.00 0.00 O ATOM 995 CB PHE A 436 1.449 11.584 2.543 1.00 0.00 C ATOM 996 CG PHE A 436 2.806 10.960 2.675 1.00 0.00 C ATOM 997 CD1 PHE A 436 2.950 9.583 2.706 1.00 0.00 C ATOM 998 CD2 PHE A 436 3.938 11.752 2.757 1.00 0.00 C ATOM 999 CE1 PHE A 436 4.199 9.007 2.818 1.00 0.00 C ATOM 1000 CE2 PHE A 436 5.190 11.183 2.867 1.00 0.00 C ATOM 1001 CZ PHE A 436 5.322 9.807 2.898 1.00 0.00 C ATOM 0 H PHE A 436 -0.862 10.631 2.831 1.00 0.00 H new ATOM 0 HA PHE A 436 1.283 11.305 4.682 1.00 0.00 H new ATOM 0 HB2 PHE A 436 0.872 11.022 1.809 1.00 0.00 H new ATOM 0 HB3 PHE A 436 1.562 12.596 2.153 1.00 0.00 H new ATOM 0 HD1 PHE A 436 2.075 8.953 2.642 1.00 0.00 H new ATOM 0 HD2 PHE A 436 3.840 12.827 2.735 1.00 0.00 H new ATOM 0 HE1 PHE A 436 4.298 7.932 2.843 1.00 0.00 H new ATOM 0 HE2 PHE A 436 6.066 11.812 2.929 1.00 0.00 H new ATOM 0 HZ PHE A 436 6.301 9.359 2.985 1.00 0.00 H new ATOM 1011 N THR A 437 1.247 13.942 4.336 1.00 0.00 N ATOM 1012 CA THR A 437 1.010 15.354 4.608 1.00 0.00 C ATOM 1013 C THR A 437 1.279 16.200 3.367 1.00 0.00 C ATOM 1014 O THR A 437 0.505 17.098 3.036 1.00 0.00 O ATOM 1015 CB THR A 437 1.901 15.860 5.761 1.00 0.00 C ATOM 1016 OG1 THR A 437 3.271 15.889 5.346 1.00 0.00 O ATOM 1017 CG2 THR A 437 1.757 14.971 6.987 1.00 0.00 C ATOM 0 H THR A 437 2.232 13.678 4.323 1.00 0.00 H new ATOM 0 HA THR A 437 -0.037 15.453 4.896 1.00 0.00 H new ATOM 0 HB THR A 437 1.579 16.868 6.022 1.00 0.00 H new ATOM 0 HG1 THR A 437 3.671 15.004 5.478 1.00 0.00 H new ATOM 0 HG21 THR A 437 2.395 15.348 7.787 1.00 0.00 H new ATOM 0 HG22 THR A 437 0.719 14.974 7.319 1.00 0.00 H new ATOM 0 HG23 THR A 437 2.054 13.953 6.735 1.00 0.00 H new ATOM 1025 N SER A 438 2.382 15.905 2.684 1.00 0.00 N ATOM 1026 CA SER A 438 2.758 16.634 1.476 1.00 0.00 C ATOM 1027 C SER A 438 3.152 15.670 0.361 1.00 0.00 C ATOM 1028 O SER A 438 3.660 14.580 0.621 1.00 0.00 O ATOM 1029 CB SER A 438 3.915 17.590 1.773 1.00 0.00 C ATOM 1030 OG SER A 438 4.182 18.430 0.663 1.00 0.00 O ATOM 0 H SER A 438 3.032 15.165 2.947 1.00 0.00 H new ATOM 0 HA SER A 438 1.895 17.211 1.145 1.00 0.00 H new ATOM 0 HB2 SER A 438 3.673 18.199 2.644 1.00 0.00 H new ATOM 0 HB3 SER A 438 4.808 17.018 2.023 1.00 0.00 H new ATOM 0 HG SER A 438 4.924 19.032 0.880 1.00 0.00 H new ATOM 1036 N VAL A 439 2.918 16.082 -0.883 1.00 0.00 N ATOM 1037 CA VAL A 439 3.247 15.250 -2.035 1.00 0.00 C ATOM 1038 C VAL A 439 4.743 15.261 -2.322 1.00 0.00 C ATOM 1039 O VAL A 439 5.217 14.566 -3.221 1.00 0.00 O ATOM 1040 CB VAL A 439 2.505 15.710 -3.300 1.00 0.00 C ATOM 1041 CG1 VAL A 439 1.008 15.531 -3.128 1.00 0.00 C ATOM 1042 CG2 VAL A 439 2.847 17.155 -3.631 1.00 0.00 C ATOM 0 H VAL A 439 2.503 16.984 -1.117 1.00 0.00 H new ATOM 0 HA VAL A 439 2.931 14.239 -1.779 1.00 0.00 H new ATOM 0 HB VAL A 439 2.829 15.091 -4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 439 0.496 15.861 -4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 439 0.786 14.479 -2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 439 0.666 16.124 -2.280 1.00 0.00 H new ATOM 0 HG21 VAL A 439 2.311 17.459 -4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 439 2.556 17.797 -2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 439 3.920 17.245 -3.801 1.00 0.00 H new ATOM 1052 N PHE A 440 5.485 16.051 -1.553 1.00 0.00 N ATOM 1053 CA PHE A 440 6.926 16.149 -1.735 1.00 0.00 C ATOM 1054 C PHE A 440 7.607 14.924 -1.148 1.00 0.00 C ATOM 1055 O PHE A 440 8.406 14.261 -1.811 1.00 0.00 O ATOM 1056 CB PHE A 440 7.466 17.420 -1.076 1.00 0.00 C ATOM 1057 CG PHE A 440 7.819 18.500 -2.058 1.00 0.00 C ATOM 1058 CD1 PHE A 440 8.941 18.381 -2.864 1.00 0.00 C ATOM 1059 CD2 PHE A 440 7.028 19.632 -2.178 1.00 0.00 C ATOM 1060 CE1 PHE A 440 9.268 19.373 -3.771 1.00 0.00 C ATOM 1061 CE2 PHE A 440 7.351 20.626 -3.083 1.00 0.00 C ATOM 1062 CZ PHE A 440 8.472 20.496 -3.880 1.00 0.00 C ATOM 0 H PHE A 440 5.113 16.630 -0.801 1.00 0.00 H new ATOM 0 HA PHE A 440 7.140 16.198 -2.803 1.00 0.00 H new ATOM 0 HB2 PHE A 440 6.721 17.803 -0.379 1.00 0.00 H new ATOM 0 HB3 PHE A 440 8.351 17.169 -0.491 1.00 0.00 H new ATOM 0 HD1 PHE A 440 9.566 17.504 -2.783 1.00 0.00 H new ATOM 0 HD2 PHE A 440 6.150 19.739 -1.558 1.00 0.00 H new ATOM 0 HE1 PHE A 440 10.145 19.269 -4.393 1.00 0.00 H new ATOM 0 HE2 PHE A 440 6.727 21.504 -3.167 1.00 0.00 H new ATOM 0 HZ PHE A 440 8.725 21.272 -4.587 1.00 0.00 H new ATOM 1072 N ASP A 441 7.272 14.628 0.100 1.00 0.00 N ATOM 1073 CA ASP A 441 7.830 13.474 0.782 1.00 0.00 C ATOM 1074 C ASP A 441 7.134 12.209 0.300 1.00 0.00 C ATOM 1075 O ASP A 441 7.725 11.130 0.273 1.00 0.00 O ATOM 1076 CB ASP A 441 7.679 13.625 2.295 1.00 0.00 C ATOM 1077 CG ASP A 441 8.178 14.966 2.795 1.00 0.00 C ATOM 1078 OD1 ASP A 441 9.340 15.314 2.501 1.00 0.00 O ATOM 1079 OD2 ASP A 441 7.406 15.669 3.481 1.00 0.00 O ATOM 0 H ASP A 441 6.616 15.173 0.659 1.00 0.00 H new ATOM 0 HA ASP A 441 8.893 13.403 0.552 1.00 0.00 H new ATOM 0 HB2 ASP A 441 6.630 13.507 2.566 1.00 0.00 H new ATOM 0 HB3 ASP A 441 8.229 12.827 2.794 1.00 0.00 H new ATOM 1084 N CYS A 442 5.868 12.359 -0.086 1.00 0.00 N ATOM 1085 CA CYS A 442 5.079 11.242 -0.591 1.00 0.00 C ATOM 1086 C CYS A 442 5.700 10.698 -1.870 1.00 0.00 C ATOM 1087 O CYS A 442 5.797 9.486 -2.066 1.00 0.00 O ATOM 1088 CB CYS A 442 3.642 11.692 -0.860 1.00 0.00 C ATOM 1089 SG CYS A 442 2.408 10.387 -0.653 1.00 0.00 S ATOM 0 H CYS A 442 5.367 13.247 -0.058 1.00 0.00 H new ATOM 0 HA CYS A 442 5.068 10.453 0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 442 3.399 12.516 -0.189 1.00 0.00 H new ATOM 0 HB3 CYS A 442 3.578 12.079 -1.877 1.00 0.00 H new ATOM 0 HG CYS A 442 2.362 10.027 0.595 1.00 0.00 H new ATOM 1095 N GLN A 443 6.122 11.614 -2.736 1.00 0.00 N ATOM 1096 CA GLN A 443 6.745 11.250 -4.001 1.00 0.00 C ATOM 1097 C GLN A 443 8.092 10.578 -3.762 1.00 0.00 C ATOM 1098 O GLN A 443 8.378 9.522 -4.325 1.00 0.00 O ATOM 1099 CB GLN A 443 6.926 12.494 -4.873 1.00 0.00 C ATOM 1100 CG GLN A 443 7.467 12.198 -6.263 1.00 0.00 C ATOM 1101 CD GLN A 443 8.298 13.338 -6.817 1.00 0.00 C ATOM 1102 OE1 GLN A 443 9.293 13.119 -7.507 1.00 0.00 O ATOM 1103 NE2 GLN A 443 7.891 14.566 -6.518 1.00 0.00 N ATOM 0 H GLN A 443 6.042 12.619 -2.582 1.00 0.00 H new ATOM 0 HA GLN A 443 6.094 10.545 -4.517 1.00 0.00 H new ATOM 0 HB2 GLN A 443 5.966 13.002 -4.968 1.00 0.00 H new ATOM 0 HB3 GLN A 443 7.603 13.184 -4.369 1.00 0.00 H new ATOM 0 HG2 GLN A 443 8.074 11.294 -6.228 1.00 0.00 H new ATOM 0 HG3 GLN A 443 6.635 11.997 -6.938 1.00 0.00 H new ATOM 0 HE21 GLN A 443 7.060 14.702 -5.942 1.00 0.00 H new ATOM 0 HE22 GLN A 443 8.409 15.373 -6.864 1.00 0.00 H new ATOM 1112 N LYS A 444 8.915 11.199 -2.922 1.00 0.00 N ATOM 1113 CA LYS A 444 10.233 10.658 -2.606 1.00 0.00 C ATOM 1114 C LYS A 444 10.117 9.396 -1.757 1.00 0.00 C ATOM 1115 O LYS A 444 11.104 8.693 -1.536 1.00 0.00 O ATOM 1116 CB LYS A 444 11.073 11.704 -1.872 1.00 0.00 C ATOM 1117 CG LYS A 444 12.466 11.881 -2.455 1.00 0.00 C ATOM 1118 CD LYS A 444 13.009 13.275 -2.186 1.00 0.00 C ATOM 1119 CE LYS A 444 12.474 14.284 -3.188 1.00 0.00 C ATOM 1120 NZ LYS A 444 12.167 15.593 -2.549 1.00 0.00 N ATOM 0 H LYS A 444 8.693 12.075 -2.449 1.00 0.00 H new ATOM 0 HA LYS A 444 10.724 10.398 -3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 444 10.552 12.661 -1.899 1.00 0.00 H new ATOM 0 HB3 LYS A 444 11.160 11.418 -0.824 1.00 0.00 H new ATOM 0 HG2 LYS A 444 13.138 11.138 -2.026 1.00 0.00 H new ATOM 0 HG3 LYS A 444 12.437 11.702 -3.530 1.00 0.00 H new ATOM 0 HD2 LYS A 444 12.737 13.584 -1.177 1.00 0.00 H new ATOM 0 HD3 LYS A 444 14.098 13.258 -2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 444 13.207 14.431 -3.982 1.00 0.00 H new ATOM 0 HE3 LYS A 444 11.572 13.888 -3.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 444 11.805 16.253 -3.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 444 11.449 15.458 -1.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 444 13.032 15.984 -2.125 1.00 0.00 H new ATOM 1134 N ALA A 445 8.906 9.111 -1.284 1.00 0.00 N ATOM 1135 CA ALA A 445 8.665 7.932 -0.464 1.00 0.00 C ATOM 1136 C ALA A 445 8.524 6.688 -1.331 1.00 0.00 C ATOM 1137 O ALA A 445 9.340 5.769 -1.251 1.00 0.00 O ATOM 1138 CB ALA A 445 7.423 8.126 0.391 1.00 0.00 C ATOM 0 H ALA A 445 8.078 9.682 -1.456 1.00 0.00 H new ATOM 0 HA ALA A 445 9.523 7.793 0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 445 7.256 7.236 0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 445 7.561 8.989 1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 445 6.560 8.292 -0.254 1.00 0.00 H new ATOM 1144 N MET A 446 7.487 6.666 -2.162 1.00 0.00 N ATOM 1145 CA MET A 446 7.239 5.531 -3.044 1.00 0.00 C ATOM 1146 C MET A 446 8.372 5.367 -4.054 1.00 0.00 C ATOM 1147 O MET A 446 8.613 4.270 -4.557 1.00 0.00 O ATOM 1148 CB MET A 446 5.906 5.703 -3.774 1.00 0.00 C ATOM 1149 CG MET A 446 5.928 6.783 -4.843 1.00 0.00 C ATOM 1150 SD MET A 446 4.351 7.643 -4.996 1.00 0.00 S ATOM 1151 CE MET A 446 3.422 6.476 -5.987 1.00 0.00 C ATOM 0 H MET A 446 6.805 7.420 -2.243 1.00 0.00 H new ATOM 0 HA MET A 446 7.192 4.631 -2.430 1.00 0.00 H new ATOM 0 HB2 MET A 446 5.629 4.755 -4.234 1.00 0.00 H new ATOM 0 HB3 MET A 446 5.131 5.942 -3.045 1.00 0.00 H new ATOM 0 HG2 MET A 446 6.710 7.505 -4.608 1.00 0.00 H new ATOM 0 HG3 MET A 446 6.187 6.334 -5.802 1.00 0.00 H new ATOM 0 HE1 MET A 446 3.132 6.946 -6.926 1.00 0.00 H new ATOM 0 HE2 MET A 446 4.040 5.602 -6.194 1.00 0.00 H new ATOM 0 HE3 MET A 446 2.528 6.168 -5.444 1.00 0.00 H new ATOM 1161 N GLN A 447 9.063 6.467 -4.345 1.00 0.00 N ATOM 1162 CA GLN A 447 10.173 6.444 -5.293 1.00 0.00 C ATOM 1163 C GLN A 447 11.253 5.469 -4.837 1.00 0.00 C ATOM 1164 O GLN A 447 11.996 4.923 -5.653 1.00 0.00 O ATOM 1165 CB GLN A 447 10.766 7.845 -5.451 1.00 0.00 C ATOM 1166 CG GLN A 447 11.706 7.980 -6.639 1.00 0.00 C ATOM 1167 CD GLN A 447 11.378 9.179 -7.505 1.00 0.00 C ATOM 1168 OE1 GLN A 447 11.227 9.058 -8.721 1.00 0.00 O ATOM 1169 NE2 GLN A 447 11.270 10.348 -6.883 1.00 0.00 N ATOM 0 H GLN A 447 8.874 7.383 -3.939 1.00 0.00 H new ATOM 0 HA GLN A 447 9.790 6.110 -6.257 1.00 0.00 H new ATOM 0 HB2 GLN A 447 9.954 8.564 -5.558 1.00 0.00 H new ATOM 0 HB3 GLN A 447 11.305 8.107 -4.541 1.00 0.00 H new ATOM 0 HG2 GLN A 447 12.731 8.065 -6.279 1.00 0.00 H new ATOM 0 HG3 GLN A 447 11.655 7.074 -7.243 1.00 0.00 H new ATOM 0 HE21 GLN A 447 11.403 10.403 -5.873 1.00 0.00 H new ATOM 0 HE22 GLN A 447 11.054 11.191 -7.415 1.00 0.00 H new ATOM 1178 N GLY A 448 11.332 5.257 -3.528 1.00 0.00 N ATOM 1179 CA GLY A 448 12.321 4.349 -2.979 1.00 0.00 C ATOM 1180 C GLY A 448 11.717 3.029 -2.545 1.00 0.00 C ATOM 1181 O GLY A 448 12.434 2.116 -2.135 1.00 0.00 O ATOM 0 H GLY A 448 10.727 5.699 -2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 448 13.094 4.164 -3.725 1.00 0.00 H new ATOM 0 HA3 GLY A 448 12.808 4.820 -2.126 1.00 0.00 H new ATOM 1185 N LEU A 449 10.393 2.926 -2.634 1.00 0.00 N ATOM 1186 CA LEU A 449 9.696 1.706 -2.246 1.00 0.00 C ATOM 1187 C LEU A 449 9.373 0.850 -3.467 1.00 0.00 C ATOM 1188 O LEU A 449 9.046 -0.329 -3.340 1.00 0.00 O ATOM 1189 CB LEU A 449 8.406 2.044 -1.489 1.00 0.00 C ATOM 1190 CG LEU A 449 8.595 2.829 -0.184 1.00 0.00 C ATOM 1191 CD1 LEU A 449 7.269 2.971 0.547 1.00 0.00 C ATOM 1192 CD2 LEU A 449 9.625 2.153 0.710 1.00 0.00 C ATOM 0 H LEU A 449 9.784 3.672 -2.971 1.00 0.00 H new ATOM 0 HA LEU A 449 10.355 1.137 -1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 449 7.758 2.620 -2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 449 7.884 1.114 -1.262 1.00 0.00 H new ATOM 0 HG LEU A 449 8.962 3.824 -0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 449 7.421 3.530 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 449 6.559 3.503 -0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 449 6.875 1.982 0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 449 9.742 2.727 1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 449 9.290 1.144 0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 449 10.581 2.102 0.189 1.00 0.00 H new ATOM 1204 N THR A 450 9.471 1.451 -4.650 1.00 0.00 N ATOM 1205 CA THR A 450 9.191 0.740 -5.894 1.00 0.00 C ATOM 1206 C THR A 450 10.343 -0.187 -6.267 1.00 0.00 C ATOM 1207 O THR A 450 11.511 0.183 -6.156 1.00 0.00 O ATOM 1208 CB THR A 450 8.937 1.718 -7.057 1.00 0.00 C ATOM 1209 OG1 THR A 450 8.009 2.732 -6.656 1.00 0.00 O ATOM 1210 CG2 THR A 450 8.395 0.982 -8.275 1.00 0.00 C ATOM 0 H THR A 450 9.742 2.427 -4.773 1.00 0.00 H new ATOM 0 HA THR A 450 8.291 0.149 -5.724 1.00 0.00 H new ATOM 0 HB THR A 450 9.887 2.182 -7.323 1.00 0.00 H new ATOM 0 HG1 THR A 450 8.456 3.367 -6.059 1.00 0.00 H new ATOM 0 HG21 THR A 450 8.223 1.693 -9.083 1.00 0.00 H new ATOM 0 HG22 THR A 450 9.117 0.232 -8.598 1.00 0.00 H new ATOM 0 HG23 THR A 450 7.456 0.493 -8.016 1.00 0.00 H new ATOM 1218 N GLY A 451 10.004 -1.393 -6.713 1.00 0.00 N ATOM 1219 CA GLY A 451 11.020 -2.356 -7.101 1.00 0.00 C ATOM 1220 C GLY A 451 11.541 -3.162 -5.927 1.00 0.00 C ATOM 1221 O GLY A 451 12.214 -4.175 -6.114 1.00 0.00 O ATOM 0 H GLY A 451 9.043 -1.721 -6.813 1.00 0.00 H new ATOM 0 HA2 GLY A 451 10.606 -3.034 -7.847 1.00 0.00 H new ATOM 0 HA3 GLY A 451 11.850 -1.831 -7.573 1.00 0.00 H new ATOM 1225 N ARG A 452 11.228 -2.714 -4.714 1.00 0.00 N ATOM 1226 CA ARG A 452 11.674 -3.402 -3.506 1.00 0.00 C ATOM 1227 C ARG A 452 10.883 -4.689 -3.287 1.00 0.00 C ATOM 1228 O ARG A 452 10.207 -5.176 -4.194 1.00 0.00 O ATOM 1229 CB ARG A 452 11.528 -2.487 -2.288 1.00 0.00 C ATOM 1230 CG ARG A 452 12.195 -1.133 -2.459 1.00 0.00 C ATOM 1231 CD ARG A 452 13.343 -0.950 -1.481 1.00 0.00 C ATOM 1232 NE ARG A 452 14.382 -1.961 -1.660 1.00 0.00 N ATOM 1233 CZ ARG A 452 15.681 -1.681 -1.723 1.00 0.00 C ATOM 1234 NH1 ARG A 452 16.099 -0.426 -1.622 1.00 0.00 N ATOM 1235 NH2 ARG A 452 16.563 -2.657 -1.887 1.00 0.00 N ATOM 0 H ARG A 452 10.668 -1.879 -4.542 1.00 0.00 H new ATOM 0 HA ARG A 452 12.725 -3.660 -3.634 1.00 0.00 H new ATOM 0 HB2 ARG A 452 10.468 -2.337 -2.082 1.00 0.00 H new ATOM 0 HB3 ARG A 452 11.954 -2.985 -1.417 1.00 0.00 H new ATOM 0 HG2 ARG A 452 12.566 -1.035 -3.479 1.00 0.00 H new ATOM 0 HG3 ARG A 452 11.459 -0.343 -2.310 1.00 0.00 H new ATOM 0 HD2 ARG A 452 13.776 0.042 -1.612 1.00 0.00 H new ATOM 0 HD3 ARG A 452 12.962 -0.999 -0.461 1.00 0.00 H new ATOM 0 HE ARG A 452 14.095 -2.937 -1.741 1.00 0.00 H new ATOM 0 HH11 ARG A 452 15.424 0.328 -1.496 1.00 0.00 H new ATOM 0 HH12 ARG A 452 17.096 -0.215 -1.671 1.00 0.00 H new ATOM 0 HH21 ARG A 452 16.246 -3.623 -1.965 1.00 0.00 H new ATOM 0 HH22 ARG A 452 17.559 -2.442 -1.935 1.00 0.00 H new ATOM 1249 N LYS A 453 10.972 -5.235 -2.077 1.00 0.00 N ATOM 1250 CA LYS A 453 10.265 -6.465 -1.737 1.00 0.00 C ATOM 1251 C LYS A 453 9.995 -6.541 -0.237 1.00 0.00 C ATOM 1252 O LYS A 453 10.924 -6.628 0.565 1.00 0.00 O ATOM 1253 CB LYS A 453 11.076 -7.682 -2.182 1.00 0.00 C ATOM 1254 CG LYS A 453 10.263 -8.707 -2.955 1.00 0.00 C ATOM 1255 CD LYS A 453 11.140 -9.525 -3.888 1.00 0.00 C ATOM 1256 CE LYS A 453 10.534 -9.622 -5.279 1.00 0.00 C ATOM 1257 NZ LYS A 453 10.470 -11.030 -5.760 1.00 0.00 N ATOM 0 H LYS A 453 11.527 -4.844 -1.316 1.00 0.00 H new ATOM 0 HA LYS A 453 9.309 -6.462 -2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 453 11.907 -7.347 -2.803 1.00 0.00 H new ATOM 0 HB3 LYS A 453 11.508 -8.161 -1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 453 9.754 -9.371 -2.256 1.00 0.00 H new ATOM 0 HG3 LYS A 453 9.490 -8.200 -3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 453 12.129 -9.071 -3.951 1.00 0.00 H new ATOM 0 HD3 LYS A 453 11.275 -10.526 -3.478 1.00 0.00 H new ATOM 0 HE2 LYS A 453 9.531 -9.196 -5.268 1.00 0.00 H new ATOM 0 HE3 LYS A 453 11.125 -9.027 -5.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 10.051 -11.053 -6.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 11.430 -11.429 -5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 9.885 -11.593 -5.110 1.00 0.00 H new ATOM 1271 N PHE A 454 8.718 -6.509 0.132 1.00 0.00 N ATOM 1272 CA PHE A 454 8.326 -6.572 1.538 1.00 0.00 C ATOM 1273 C PHE A 454 8.838 -7.851 2.190 1.00 0.00 C ATOM 1274 O PHE A 454 9.255 -7.843 3.348 1.00 0.00 O ATOM 1275 CB PHE A 454 6.805 -6.493 1.672 1.00 0.00 C ATOM 1276 CG PHE A 454 6.345 -6.109 3.050 1.00 0.00 C ATOM 1277 CD1 PHE A 454 6.306 -4.780 3.436 1.00 0.00 C ATOM 1278 CD2 PHE A 454 5.955 -7.079 3.960 1.00 0.00 C ATOM 1279 CE1 PHE A 454 5.884 -4.424 4.703 1.00 0.00 C ATOM 1280 CE2 PHE A 454 5.533 -6.729 5.228 1.00 0.00 C ATOM 1281 CZ PHE A 454 5.497 -5.400 5.600 1.00 0.00 C ATOM 0 H PHE A 454 7.937 -6.440 -0.521 1.00 0.00 H new ATOM 0 HA PHE A 454 8.773 -5.720 2.050 1.00 0.00 H new ATOM 0 HB2 PHE A 454 6.422 -5.768 0.954 1.00 0.00 H new ATOM 0 HB3 PHE A 454 6.374 -7.459 1.410 1.00 0.00 H new ATOM 0 HD1 PHE A 454 6.609 -4.013 2.739 1.00 0.00 H new ATOM 0 HD2 PHE A 454 5.981 -8.120 3.675 1.00 0.00 H new ATOM 0 HE1 PHE A 454 5.857 -3.384 4.991 1.00 0.00 H new ATOM 0 HE2 PHE A 454 5.231 -7.494 5.928 1.00 0.00 H new ATOM 0 HZ PHE A 454 5.167 -5.124 6.591 1.00 0.00 H new ATOM 1291 N ALA A 455 8.803 -8.946 1.440 1.00 0.00 N ATOM 1292 CA ALA A 455 9.262 -10.234 1.947 1.00 0.00 C ATOM 1293 C ALA A 455 9.637 -11.172 0.804 1.00 0.00 C ATOM 1294 O ALA A 455 10.716 -11.765 0.806 1.00 0.00 O ATOM 1295 CB ALA A 455 8.194 -10.866 2.825 1.00 0.00 C ATOM 0 H ALA A 455 8.462 -8.968 0.479 1.00 0.00 H new ATOM 0 HA ALA A 455 10.155 -10.063 2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 455 8.550 -11.827 3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 455 7.979 -10.208 3.667 1.00 0.00 H new ATOM 0 HB3 ALA A 455 7.286 -11.017 2.242 1.00 0.00 H new ATOM 1301 N ASN A 456 8.741 -11.301 -0.169 1.00 0.00 N ATOM 1302 CA ASN A 456 8.982 -12.168 -1.317 1.00 0.00 C ATOM 1303 C ASN A 456 8.079 -11.788 -2.486 1.00 0.00 C ATOM 1304 O ASN A 456 7.801 -12.608 -3.362 1.00 0.00 O ATOM 1305 CB ASN A 456 8.756 -13.632 -0.935 1.00 0.00 C ATOM 1306 CG ASN A 456 7.622 -13.802 0.057 1.00 0.00 C ATOM 1307 OD1 ASN A 456 7.848 -14.063 1.238 1.00 0.00 O ATOM 1308 ND2 ASN A 456 6.391 -13.655 -0.421 1.00 0.00 N ATOM 0 H ASN A 456 7.843 -10.817 -0.186 1.00 0.00 H new ATOM 0 HA ASN A 456 10.019 -12.038 -1.627 1.00 0.00 H new ATOM 0 HB2 ASN A 456 8.539 -14.210 -1.833 1.00 0.00 H new ATOM 0 HB3 ASN A 456 9.673 -14.039 -0.508 1.00 0.00 H new ATOM 0 HD21 ASN A 456 5.588 -13.758 0.199 1.00 0.00 H new ATOM 0 HD22 ASN A 456 6.250 -13.439 -1.408 1.00 0.00 H new ATOM 1315 N ARG A 457 7.627 -10.540 -2.493 1.00 0.00 N ATOM 1316 CA ARG A 457 6.757 -10.041 -3.552 1.00 0.00 C ATOM 1317 C ARG A 457 7.092 -8.590 -3.869 1.00 0.00 C ATOM 1318 O ARG A 457 7.198 -7.761 -2.965 1.00 0.00 O ATOM 1319 CB ARG A 457 5.283 -10.158 -3.146 1.00 0.00 C ATOM 1320 CG ARG A 457 5.070 -10.583 -1.700 1.00 0.00 C ATOM 1321 CD ARG A 457 5.352 -9.441 -0.735 1.00 0.00 C ATOM 1322 NE ARG A 457 4.492 -9.493 0.444 1.00 0.00 N ATOM 1323 CZ ARG A 457 4.590 -10.423 1.390 1.00 0.00 C ATOM 1324 NH1 ARG A 457 5.505 -11.378 1.294 1.00 0.00 N ATOM 1325 NH2 ARG A 457 3.774 -10.397 2.434 1.00 0.00 N ATOM 0 H ARG A 457 7.850 -9.852 -1.774 1.00 0.00 H new ATOM 0 HA ARG A 457 6.922 -10.649 -4.442 1.00 0.00 H new ATOM 0 HB2 ARG A 457 4.795 -9.197 -3.307 1.00 0.00 H new ATOM 0 HB3 ARG A 457 4.792 -10.878 -3.801 1.00 0.00 H new ATOM 0 HG2 ARG A 457 4.044 -10.927 -1.568 1.00 0.00 H new ATOM 0 HG3 ARG A 457 5.721 -11.426 -1.468 1.00 0.00 H new ATOM 0 HD2 ARG A 457 6.396 -9.479 -0.424 1.00 0.00 H new ATOM 0 HD3 ARG A 457 5.207 -8.490 -1.247 1.00 0.00 H new ATOM 0 HE ARG A 457 3.775 -8.775 0.548 1.00 0.00 H new ATOM 0 HH11 ARG A 457 6.136 -11.401 0.493 1.00 0.00 H new ATOM 0 HH12 ARG A 457 5.578 -12.090 2.021 1.00 0.00 H new ATOM 0 HH21 ARG A 457 3.070 -9.663 2.513 1.00 0.00 H new ATOM 0 HH22 ARG A 457 3.850 -11.111 3.159 1.00 0.00 H new ATOM 1339 N VAL A 458 7.261 -8.289 -5.153 1.00 0.00 N ATOM 1340 CA VAL A 458 7.588 -6.934 -5.577 1.00 0.00 C ATOM 1341 C VAL A 458 6.610 -5.924 -4.982 1.00 0.00 C ATOM 1342 O VAL A 458 5.417 -6.202 -4.847 1.00 0.00 O ATOM 1343 CB VAL A 458 7.610 -6.812 -7.118 1.00 0.00 C ATOM 1344 CG1 VAL A 458 6.294 -6.268 -7.656 1.00 0.00 C ATOM 1345 CG2 VAL A 458 8.774 -5.938 -7.558 1.00 0.00 C ATOM 0 H VAL A 458 7.177 -8.963 -5.914 1.00 0.00 H new ATOM 0 HA VAL A 458 8.588 -6.711 -5.205 1.00 0.00 H new ATOM 0 HB VAL A 458 7.743 -7.811 -7.533 1.00 0.00 H new ATOM 0 HG11 VAL A 458 6.347 -6.196 -8.742 1.00 0.00 H new ATOM 0 HG12 VAL A 458 5.481 -6.938 -7.376 1.00 0.00 H new ATOM 0 HG13 VAL A 458 6.110 -5.279 -7.236 1.00 0.00 H new ATOM 0 HG21 VAL A 458 8.779 -5.859 -8.645 1.00 0.00 H new ATOM 0 HG22 VAL A 458 8.668 -4.944 -7.123 1.00 0.00 H new ATOM 0 HG23 VAL A 458 9.711 -6.383 -7.222 1.00 0.00 H new ATOM 1355 N VAL A 459 7.126 -4.758 -4.613 1.00 0.00 N ATOM 1356 CA VAL A 459 6.302 -3.710 -4.026 1.00 0.00 C ATOM 1357 C VAL A 459 5.612 -2.883 -5.105 1.00 0.00 C ATOM 1358 O VAL A 459 6.268 -2.223 -5.911 1.00 0.00 O ATOM 1359 CB VAL A 459 7.136 -2.781 -3.126 1.00 0.00 C ATOM 1360 CG1 VAL A 459 6.241 -1.779 -2.414 1.00 0.00 C ATOM 1361 CG2 VAL A 459 7.941 -3.591 -2.121 1.00 0.00 C ATOM 0 H VAL A 459 8.112 -4.515 -4.710 1.00 0.00 H new ATOM 0 HA VAL A 459 5.544 -4.204 -3.418 1.00 0.00 H new ATOM 0 HB VAL A 459 7.833 -2.228 -3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 459 6.850 -1.132 -1.783 1.00 0.00 H new ATOM 0 HG12 VAL A 459 5.713 -1.174 -3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 459 5.518 -2.312 -1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 459 8.524 -2.917 -1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 459 7.263 -4.173 -1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 459 8.613 -4.265 -2.652 1.00 0.00 H new ATOM 1371 N VAL A 460 4.284 -2.924 -5.112 1.00 0.00 N ATOM 1372 CA VAL A 460 3.498 -2.181 -6.089 1.00 0.00 C ATOM 1373 C VAL A 460 2.951 -0.892 -5.484 1.00 0.00 C ATOM 1374 O VAL A 460 1.918 -0.898 -4.815 1.00 0.00 O ATOM 1375 CB VAL A 460 2.325 -3.027 -6.623 1.00 0.00 C ATOM 1376 CG1 VAL A 460 1.540 -2.260 -7.676 1.00 0.00 C ATOM 1377 CG2 VAL A 460 2.833 -4.348 -7.185 1.00 0.00 C ATOM 0 H VAL A 460 3.728 -3.466 -4.450 1.00 0.00 H new ATOM 0 HA VAL A 460 4.164 -1.936 -6.916 1.00 0.00 H new ATOM 0 HB VAL A 460 1.653 -3.243 -5.792 1.00 0.00 H new ATOM 0 HG11 VAL A 460 0.718 -2.877 -8.038 1.00 0.00 H new ATOM 0 HG12 VAL A 460 1.142 -1.345 -7.238 1.00 0.00 H new ATOM 0 HG13 VAL A 460 2.198 -2.008 -8.508 1.00 0.00 H new ATOM 0 HG21 VAL A 460 1.992 -4.932 -7.557 1.00 0.00 H new ATOM 0 HG22 VAL A 460 3.529 -4.153 -8.001 1.00 0.00 H new ATOM 0 HG23 VAL A 460 3.343 -4.906 -6.399 1.00 0.00 H new ATOM 1387 N THR A 461 3.651 0.212 -5.726 1.00 0.00 N ATOM 1388 CA THR A 461 3.236 1.508 -5.205 1.00 0.00 C ATOM 1389 C THR A 461 2.309 2.221 -6.182 1.00 0.00 C ATOM 1390 O THR A 461 2.554 2.233 -7.389 1.00 0.00 O ATOM 1391 CB THR A 461 4.449 2.413 -4.915 1.00 0.00 C ATOM 1392 OG1 THR A 461 5.408 2.300 -5.972 1.00 0.00 O ATOM 1393 CG2 THR A 461 5.101 2.040 -3.592 1.00 0.00 C ATOM 0 H THR A 461 4.508 0.234 -6.279 1.00 0.00 H new ATOM 0 HA THR A 461 2.703 1.317 -4.273 1.00 0.00 H new ATOM 0 HB THR A 461 4.097 3.443 -4.851 1.00 0.00 H new ATOM 0 HG1 THR A 461 6.277 2.628 -5.661 1.00 0.00 H new ATOM 0 HG21 THR A 461 5.955 2.693 -3.410 1.00 0.00 H new ATOM 0 HG22 THR A 461 4.378 2.155 -2.785 1.00 0.00 H new ATOM 0 HG23 THR A 461 5.439 1.004 -3.632 1.00 0.00 H new ATOM 1401 N LYS A 462 1.245 2.812 -5.653 1.00 0.00 N ATOM 1402 CA LYS A 462 0.276 3.527 -6.474 1.00 0.00 C ATOM 1403 C LYS A 462 -0.295 4.720 -5.716 1.00 0.00 C ATOM 1404 O LYS A 462 -0.872 4.563 -4.641 1.00 0.00 O ATOM 1405 CB LYS A 462 -0.856 2.589 -6.899 1.00 0.00 C ATOM 1406 CG LYS A 462 -0.690 2.028 -8.302 1.00 0.00 C ATOM 1407 CD LYS A 462 -1.210 2.994 -9.354 1.00 0.00 C ATOM 1408 CE LYS A 462 -2.239 2.333 -10.258 1.00 0.00 C ATOM 1409 NZ LYS A 462 -3.050 3.335 -11.004 1.00 0.00 N ATOM 0 H LYS A 462 1.031 2.810 -4.656 1.00 0.00 H new ATOM 0 HA LYS A 462 0.787 3.892 -7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 462 -0.916 1.762 -6.191 1.00 0.00 H new ATOM 0 HB3 LYS A 462 -1.802 3.127 -6.842 1.00 0.00 H new ATOM 0 HG2 LYS A 462 0.363 1.818 -8.489 1.00 0.00 H new ATOM 0 HG3 LYS A 462 -1.223 1.081 -8.381 1.00 0.00 H new ATOM 0 HD2 LYS A 462 -1.656 3.860 -8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 462 -0.378 3.361 -9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 462 -1.732 1.677 -10.966 1.00 0.00 H new ATOM 0 HE3 LYS A 462 -2.899 1.706 -9.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 -3.739 2.843 -11.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 -3.554 3.945 -10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 -2.424 3.917 -11.596 1.00 0.00 H new ATOM 1423 N TYR A 463 -0.131 5.912 -6.282 1.00 0.00 N ATOM 1424 CA TYR A 463 -0.630 7.131 -5.655 1.00 0.00 C ATOM 1425 C TYR A 463 -2.136 7.046 -5.419 1.00 0.00 C ATOM 1426 O TYR A 463 -2.836 6.288 -6.091 1.00 0.00 O ATOM 1427 CB TYR A 463 -0.305 8.348 -6.523 1.00 0.00 C ATOM 1428 CG TYR A 463 0.758 9.248 -5.933 1.00 0.00 C ATOM 1429 CD1 TYR A 463 0.661 9.698 -4.622 1.00 0.00 C ATOM 1430 CD2 TYR A 463 1.858 9.644 -6.683 1.00 0.00 C ATOM 1431 CE1 TYR A 463 1.628 10.516 -4.076 1.00 0.00 C ATOM 1432 CE2 TYR A 463 2.831 10.464 -6.142 1.00 0.00 C ATOM 1433 CZ TYR A 463 2.712 10.897 -4.839 1.00 0.00 C ATOM 1434 OH TYR A 463 3.677 11.714 -4.297 1.00 0.00 O ATOM 0 H TYR A 463 0.343 6.060 -7.173 1.00 0.00 H new ATOM 0 HA TYR A 463 -0.135 7.241 -4.690 1.00 0.00 H new ATOM 0 HB2 TYR A 463 0.024 8.006 -7.504 1.00 0.00 H new ATOM 0 HB3 TYR A 463 -1.215 8.928 -6.676 1.00 0.00 H new ATOM 0 HD1 TYR A 463 -0.186 9.402 -4.020 1.00 0.00 H new ATOM 0 HD2 TYR A 463 1.955 9.306 -7.704 1.00 0.00 H new ATOM 0 HE1 TYR A 463 1.537 10.857 -3.055 1.00 0.00 H new ATOM 0 HE2 TYR A 463 3.680 10.764 -6.738 1.00 0.00 H new ATOM 0 HH TYR A 463 3.850 12.464 -4.904 1.00 0.00 H new ATOM 1444 N CYS A 464 -2.627 7.828 -4.461 1.00 0.00 N ATOM 1445 CA CYS A 464 -4.049 7.835 -4.138 1.00 0.00 C ATOM 1446 C CYS A 464 -4.523 9.233 -3.747 1.00 0.00 C ATOM 1447 O CYS A 464 -3.800 9.992 -3.091 1.00 0.00 O ATOM 1448 CB CYS A 464 -4.339 6.848 -3.006 1.00 0.00 C ATOM 1449 SG CYS A 464 -5.098 5.301 -3.553 1.00 0.00 S ATOM 0 H CYS A 464 -2.062 8.463 -3.897 1.00 0.00 H new ATOM 0 HA CYS A 464 -4.596 7.529 -5.030 1.00 0.00 H new ATOM 0 HB2 CYS A 464 -3.407 6.620 -2.489 1.00 0.00 H new ATOM 0 HB3 CYS A 464 -4.997 7.327 -2.281 1.00 0.00 H new ATOM 0 HG CYS A 464 -5.303 4.531 -2.526 1.00 0.00 H new ATOM 1455 N ASP A 465 -5.746 9.562 -4.155 1.00 0.00 N ATOM 1456 CA ASP A 465 -6.329 10.865 -3.858 1.00 0.00 C ATOM 1457 C ASP A 465 -7.099 10.834 -2.539 1.00 0.00 C ATOM 1458 O ASP A 465 -7.799 9.864 -2.249 1.00 0.00 O ATOM 1459 CB ASP A 465 -7.261 11.302 -4.992 1.00 0.00 C ATOM 1460 CG ASP A 465 -7.031 10.516 -6.268 1.00 0.00 C ATOM 1461 OD1 ASP A 465 -7.537 9.378 -6.364 1.00 0.00 O ATOM 1462 OD2 ASP A 465 -6.345 11.038 -7.172 1.00 0.00 O ATOM 0 H ASP A 465 -6.352 8.943 -4.693 1.00 0.00 H new ATOM 0 HA ASP A 465 -5.514 11.583 -3.766 1.00 0.00 H new ATOM 0 HB2 ASP A 465 -8.297 11.179 -4.675 1.00 0.00 H new ATOM 0 HB3 ASP A 465 -7.113 12.363 -5.191 1.00 0.00 H new ATOM 1467 N PRO A 466 -6.978 11.898 -1.720 1.00 0.00 N ATOM 1468 CA PRO A 466 -7.668 11.985 -0.431 1.00 0.00 C ATOM 1469 C PRO A 466 -9.172 11.776 -0.568 1.00 0.00 C ATOM 1470 O PRO A 466 -9.850 11.423 0.396 1.00 0.00 O ATOM 1471 CB PRO A 466 -7.372 13.412 0.057 1.00 0.00 C ATOM 1472 CG PRO A 466 -6.814 14.133 -1.119 1.00 0.00 C ATOM 1473 CD PRO A 466 -6.162 13.091 -1.978 1.00 0.00 C ATOM 0 HA PRO A 466 -7.327 11.212 0.258 1.00 0.00 H new ATOM 0 HB2 PRO A 466 -8.278 13.897 0.420 1.00 0.00 H new ATOM 0 HB3 PRO A 466 -6.662 13.403 0.884 1.00 0.00 H new ATOM 0 HG2 PRO A 466 -7.601 14.652 -1.666 1.00 0.00 H new ATOM 0 HG3 PRO A 466 -6.092 14.887 -0.806 1.00 0.00 H new ATOM 0 HD2 PRO A 466 -6.175 13.370 -3.032 1.00 0.00 H new ATOM 0 HD3 PRO A 466 -5.119 12.935 -1.703 1.00 0.00 H new ATOM 1481 N ASP A 467 -9.687 11.995 -1.774 1.00 0.00 N ATOM 1482 CA ASP A 467 -11.110 11.828 -2.041 1.00 0.00 C ATOM 1483 C ASP A 467 -11.535 10.377 -1.833 1.00 0.00 C ATOM 1484 O ASP A 467 -12.113 10.032 -0.802 1.00 0.00 O ATOM 1485 CB ASP A 467 -11.439 12.270 -3.468 1.00 0.00 C ATOM 1486 CG ASP A 467 -12.292 13.524 -3.503 1.00 0.00 C ATOM 1487 OD1 ASP A 467 -13.322 13.561 -2.798 1.00 0.00 O ATOM 1488 OD2 ASP A 467 -11.931 14.468 -4.237 1.00 0.00 O ATOM 0 H ASP A 467 -9.139 12.289 -2.582 1.00 0.00 H new ATOM 0 HA ASP A 467 -11.662 12.454 -1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 467 -10.512 12.449 -4.013 1.00 0.00 H new ATOM 0 HB3 ASP A 467 -11.961 11.464 -3.984 1.00 0.00 H new ATOM 1493 N SER A 468 -11.240 9.533 -2.818 1.00 0.00 N ATOM 1494 CA SER A 468 -11.593 8.120 -2.744 1.00 0.00 C ATOM 1495 C SER A 468 -10.975 7.465 -1.514 1.00 0.00 C ATOM 1496 O SER A 468 -11.548 6.540 -0.936 1.00 0.00 O ATOM 1497 CB SER A 468 -11.137 7.391 -4.008 1.00 0.00 C ATOM 1498 OG SER A 468 -11.666 8.006 -5.171 1.00 0.00 O ATOM 0 H SER A 468 -10.758 9.803 -3.675 1.00 0.00 H new ATOM 0 HA SER A 468 -12.678 8.048 -2.663 1.00 0.00 H new ATOM 0 HB2 SER A 468 -10.048 7.389 -4.057 1.00 0.00 H new ATOM 0 HB3 SER A 468 -11.456 6.350 -3.966 1.00 0.00 H new ATOM 0 HG SER A 468 -11.358 7.522 -5.966 1.00 0.00 H new ATOM 1504 N TYR A 469 -9.800 7.949 -1.117 1.00 0.00 N ATOM 1505 CA TYR A 469 -9.110 7.411 0.049 1.00 0.00 C ATOM 1506 C TYR A 469 -10.009 7.494 1.279 1.00 0.00 C ATOM 1507 O TYR A 469 -10.263 6.488 1.941 1.00 0.00 O ATOM 1508 CB TYR A 469 -7.800 8.170 0.292 1.00 0.00 C ATOM 1509 CG TYR A 469 -7.415 8.268 1.751 1.00 0.00 C ATOM 1510 CD1 TYR A 469 -7.007 7.145 2.459 1.00 0.00 C ATOM 1511 CD2 TYR A 469 -7.470 9.482 2.423 1.00 0.00 C ATOM 1512 CE1 TYR A 469 -6.665 7.228 3.794 1.00 0.00 C ATOM 1513 CE2 TYR A 469 -7.128 9.574 3.756 1.00 0.00 C ATOM 1514 CZ TYR A 469 -6.727 8.446 4.438 1.00 0.00 C ATOM 1515 OH TYR A 469 -6.386 8.534 5.769 1.00 0.00 O ATOM 0 H TYR A 469 -9.309 8.710 -1.585 1.00 0.00 H new ATOM 0 HA TYR A 469 -8.873 6.364 -0.139 1.00 0.00 H new ATOM 0 HB2 TYR A 469 -6.997 7.675 -0.254 1.00 0.00 H new ATOM 0 HB3 TYR A 469 -7.892 9.176 -0.119 1.00 0.00 H new ATOM 0 HD1 TYR A 469 -6.956 6.190 1.957 1.00 0.00 H new ATOM 0 HD2 TYR A 469 -7.786 10.369 1.893 1.00 0.00 H new ATOM 0 HE1 TYR A 469 -6.351 6.345 4.331 1.00 0.00 H new ATOM 0 HE2 TYR A 469 -7.174 10.526 4.263 1.00 0.00 H new ATOM 0 HH TYR A 469 -5.906 7.723 6.038 1.00 0.00 H new ATOM 1525 N HIS A 470 -10.480 8.700 1.581 1.00 0.00 N ATOM 1526 CA HIS A 470 -11.359 8.909 2.723 1.00 0.00 C ATOM 1527 C HIS A 470 -12.631 8.085 2.566 1.00 0.00 C ATOM 1528 O HIS A 470 -13.245 7.675 3.551 1.00 0.00 O ATOM 1529 CB HIS A 470 -11.709 10.390 2.867 1.00 0.00 C ATOM 1530 CG HIS A 470 -11.397 10.949 4.221 1.00 0.00 C ATOM 1531 ND1 HIS A 470 -12.286 10.912 5.274 1.00 0.00 N ATOM 1532 CD2 HIS A 470 -10.284 11.561 4.692 1.00 0.00 C ATOM 1533 CE1 HIS A 470 -11.735 11.476 6.334 1.00 0.00 C ATOM 1534 NE2 HIS A 470 -10.521 11.877 6.007 1.00 0.00 N ATOM 0 H HIS A 470 -10.267 9.545 1.051 1.00 0.00 H new ATOM 0 HA HIS A 470 -10.837 8.586 3.623 1.00 0.00 H new ATOM 0 HB2 HIS A 470 -11.164 10.959 2.114 1.00 0.00 H new ATOM 0 HB3 HIS A 470 -12.771 10.526 2.663 1.00 0.00 H new ATOM 0 HD2 HIS A 470 -9.380 11.763 4.137 1.00 0.00 H new ATOM 0 HE1 HIS A 470 -12.199 11.590 7.303 1.00 0.00 H new ATOM 0 HE2 HIS A 470 -9.864 12.346 6.631 1.00 0.00 H new ATOM 1543 N ARG A 471 -13.020 7.848 1.316 1.00 0.00 N ATOM 1544 CA ARG A 471 -14.213 7.065 1.021 1.00 0.00 C ATOM 1545 C ARG A 471 -13.980 5.595 1.350 1.00 0.00 C ATOM 1546 O ARG A 471 -14.929 4.833 1.538 1.00 0.00 O ATOM 1547 CB ARG A 471 -14.600 7.214 -0.452 1.00 0.00 C ATOM 1548 CG ARG A 471 -14.872 8.650 -0.866 1.00 0.00 C ATOM 1549 CD ARG A 471 -16.171 8.769 -1.648 1.00 0.00 C ATOM 1550 NE ARG A 471 -16.275 10.047 -2.348 1.00 0.00 N ATOM 1551 CZ ARG A 471 -16.665 10.167 -3.614 1.00 0.00 C ATOM 1552 NH1 ARG A 471 -16.982 9.089 -4.320 1.00 0.00 N ATOM 1553 NH2 ARG A 471 -16.737 11.365 -4.177 1.00 0.00 N ATOM 0 H ARG A 471 -12.525 8.188 0.492 1.00 0.00 H new ATOM 0 HA ARG A 471 -15.029 7.439 1.639 1.00 0.00 H new ATOM 0 HB2 ARG A 471 -13.799 6.811 -1.072 1.00 0.00 H new ATOM 0 HB3 ARG A 471 -15.488 6.613 -0.648 1.00 0.00 H new ATOM 0 HG2 ARG A 471 -14.921 9.282 0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 471 -14.045 9.017 -1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 471 -16.235 7.955 -2.370 1.00 0.00 H new ATOM 0 HD3 ARG A 471 -17.015 8.659 -0.967 1.00 0.00 H new ATOM 0 HE ARG A 471 -16.035 10.896 -1.837 1.00 0.00 H new ATOM 0 HH11 ARG A 471 -16.927 8.165 -3.892 1.00 0.00 H new ATOM 0 HH12 ARG A 471 -17.281 9.185 -5.291 1.00 0.00 H new ATOM 0 HH21 ARG A 471 -16.493 12.197 -3.639 1.00 0.00 H new ATOM 0 HH22 ARG A 471 -17.036 11.455 -5.148 1.00 0.00 H new ATOM 1567 N ARG A 472 -12.707 5.204 1.414 1.00 0.00 N ATOM 1568 CA ARG A 472 -12.341 3.827 1.722 1.00 0.00 C ATOM 1569 C ARG A 472 -12.959 2.864 0.715 1.00 0.00 C ATOM 1570 O ARG A 472 -13.666 1.926 1.085 1.00 0.00 O ATOM 1571 CB ARG A 472 -12.780 3.461 3.141 1.00 0.00 C ATOM 1572 CG ARG A 472 -11.978 4.167 4.219 1.00 0.00 C ATOM 1573 CD ARG A 472 -11.503 3.197 5.289 1.00 0.00 C ATOM 1574 NE ARG A 472 -12.439 3.113 6.408 1.00 0.00 N ATOM 1575 CZ ARG A 472 -12.420 3.940 7.450 1.00 0.00 C ATOM 1576 NH1 ARG A 472 -11.519 4.910 7.517 1.00 0.00 N ATOM 1577 NH2 ARG A 472 -13.307 3.796 8.427 1.00 0.00 N ATOM 0 H ARG A 472 -11.913 5.825 1.256 1.00 0.00 H new ATOM 0 HA ARG A 472 -11.256 3.742 1.658 1.00 0.00 H new ATOM 0 HB2 ARG A 472 -13.835 3.708 3.262 1.00 0.00 H new ATOM 0 HB3 ARG A 472 -12.687 2.383 3.276 1.00 0.00 H new ATOM 0 HG2 ARG A 472 -11.118 4.662 3.768 1.00 0.00 H new ATOM 0 HG3 ARG A 472 -12.589 4.945 4.677 1.00 0.00 H new ATOM 0 HD2 ARG A 472 -11.374 2.208 4.850 1.00 0.00 H new ATOM 0 HD3 ARG A 472 -10.527 3.513 5.656 1.00 0.00 H new ATOM 0 HE ARG A 472 -13.147 2.379 6.389 1.00 0.00 H new ATOM 0 HH11 ARG A 472 -10.836 5.025 6.768 1.00 0.00 H new ATOM 0 HH12 ARG A 472 -11.508 5.542 8.318 1.00 0.00 H new ATOM 0 HH21 ARG A 472 -14.003 3.052 8.379 1.00 0.00 H new ATOM 0 HH22 ARG A 472 -13.293 4.430 9.226 1.00 0.00 H new ATOM 1591 N ASP A 473 -12.685 3.107 -0.562 1.00 0.00 N ATOM 1592 CA ASP A 473 -13.207 2.265 -1.631 1.00 0.00 C ATOM 1593 C ASP A 473 -12.699 0.834 -1.489 1.00 0.00 C ATOM 1594 O ASP A 473 -13.251 -0.094 -2.080 1.00 0.00 O ATOM 1595 CB ASP A 473 -12.805 2.830 -2.994 1.00 0.00 C ATOM 1596 CG ASP A 473 -13.407 2.048 -4.145 1.00 0.00 C ATOM 1597 OD1 ASP A 473 -14.559 2.346 -4.526 1.00 0.00 O ATOM 1598 OD2 ASP A 473 -12.728 1.138 -4.663 1.00 0.00 O ATOM 0 H ASP A 473 -12.103 3.881 -0.882 1.00 0.00 H new ATOM 0 HA ASP A 473 -14.294 2.255 -1.557 1.00 0.00 H new ATOM 0 HB2 ASP A 473 -13.122 3.871 -3.060 1.00 0.00 H new ATOM 0 HB3 ASP A 473 -11.719 2.821 -3.082 1.00 0.00 H new ATOM 1823 N TRP B 22 11.899 -4.877 2.714 1.00 0.00 N ATOM 1824 CA TRP B 22 12.414 -4.131 1.569 1.00 0.00 C ATOM 1825 C TRP B 22 13.735 -4.719 1.083 1.00 0.00 C ATOM 1826 O TRP B 22 14.806 -4.344 1.561 1.00 0.00 O ATOM 1827 CB TRP B 22 12.603 -2.657 1.930 1.00 0.00 C ATOM 1828 CG TRP B 22 11.437 -2.065 2.662 1.00 0.00 C ATOM 1829 CD1 TRP B 22 11.346 -1.831 4.004 1.00 0.00 C ATOM 1830 CD2 TRP B 22 10.195 -1.631 2.093 1.00 0.00 C ATOM 1831 NE1 TRP B 22 10.126 -1.277 4.304 1.00 0.00 N ATOM 1832 CE2 TRP B 22 9.401 -1.145 3.150 1.00 0.00 C ATOM 1833 CE3 TRP B 22 9.676 -1.607 0.796 1.00 0.00 C ATOM 1834 CZ2 TRP B 22 8.121 -0.639 2.946 1.00 0.00 C ATOM 1835 CZ3 TRP B 22 8.404 -1.105 0.596 1.00 0.00 C ATOM 1836 CH2 TRP B 22 7.639 -0.626 1.666 1.00 0.00 C ATOM 0 HA TRP B 22 11.683 -4.209 0.764 1.00 0.00 H new ATOM 0 HB2 TRP B 22 13.497 -2.554 2.544 1.00 0.00 H new ATOM 0 HB3 TRP B 22 12.776 -2.087 1.017 1.00 0.00 H new ATOM 0 HD1 TRP B 22 12.120 -2.050 4.724 1.00 0.00 H new ATOM 0 HE1 TRP B 22 9.811 -1.007 5.236 1.00 0.00 H new ATOM 0 HE3 TRP B 22 10.259 -1.974 -0.036 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 7.529 -0.269 3.770 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 7.993 -1.082 -0.403 1.00 0.00 H new ATOM 0 HH2 TRP B 22 6.649 -0.239 1.477 1.00 0.00 H new ATOM 1847 N ASN B 23 13.651 -5.639 0.129 1.00 0.00 N ATOM 1848 CA ASN B 23 14.839 -6.281 -0.423 1.00 0.00 C ATOM 1849 C ASN B 23 14.873 -6.148 -1.940 1.00 0.00 C ATOM 1850 O ASN B 23 13.867 -6.369 -2.614 1.00 0.00 O ATOM 1851 CB ASN B 23 14.874 -7.758 -0.028 1.00 0.00 C ATOM 1852 CG ASN B 23 15.889 -8.042 1.063 1.00 0.00 C ATOM 1853 OD1 ASN B 23 17.091 -7.862 0.870 1.00 0.00 O ATOM 1854 ND2 ASN B 23 15.408 -8.489 2.217 1.00 0.00 N ATOM 0 H ASN B 23 12.772 -5.958 -0.279 1.00 0.00 H new ATOM 0 HA ASN B 23 15.716 -5.781 -0.013 1.00 0.00 H new ATOM 0 HB2 ASN B 23 13.884 -8.064 0.312 1.00 0.00 H new ATOM 0 HB3 ASN B 23 15.110 -8.360 -0.905 1.00 0.00 H new ATOM 0 HD21 ASN B 23 16.043 -8.698 2.988 1.00 0.00 H new ATOM 0 HD22 ASN B 23 14.404 -8.624 2.333 1.00 0.00 H new