USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 466 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 420 MET CE :methyl -158:sc= -1.54 (180deg=-1.72) USER MOD Single : A 423 THR OG1 : rot 180:sc= 0.255 USER MOD Single : A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 433 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.18) USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 442 TYR OH : rot -73:sc= 0.0184 USER MOD Single : A 443 SER OG : rot 180:sc= 0 USER MOD Single : A 445 HIS : no HD1:sc= 0.763 K(o=0.76,f=-5.4!) USER MOD Single : A 446 SER OG : rot 180:sc= -0.625 USER MOD Single : A 451 HIS : no HD1:sc= -2.14! C(o=-2.1!,f=-3.7!) USER MOD Single : A 452 CYS SG : rot -76:sc= -2.24! USER MOD Single : A 456 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 ASN : amide:sc= -0.864 K(o=-0.86,f=-0.28!) USER MOD Single : A 459 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 460 LYS NZ :NH3+ -148:sc= -0.117 (180deg=-1.08) USER MOD Single : A 465 SER OG : rot 180:sc= 0 USER MOD Single : A 466 TYR OH : rot 180:sc= 0 USER MOD Single : A 469 ASN : amide:sc= -0.0599 K(o=-0.06,f=-1.9!) USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 473 GLN : amide:sc= -0.0139 K(o=-0.014,f=-1.7!) USER MOD Single : A 478 SER OG : rot -120:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 418 8.574 -5.510 10.911 1.00 0.00 N ATOM 19 CA GLU A 418 7.387 -4.985 10.178 1.00 0.00 C ATOM 20 C GLU A 418 7.802 -3.839 9.259 1.00 0.00 C ATOM 21 O GLU A 418 8.867 -3.272 9.399 1.00 0.00 O ATOM 22 CB GLU A 418 6.361 -4.469 11.187 1.00 0.00 C ATOM 23 CG GLU A 418 5.766 -5.647 11.959 1.00 0.00 C ATOM 24 CD GLU A 418 4.802 -5.126 13.025 1.00 0.00 C ATOM 25 OE1 GLU A 418 4.631 -3.920 13.102 1.00 0.00 O ATOM 26 OE2 GLU A 418 4.250 -5.941 13.746 1.00 0.00 O ATOM 0 HA GLU A 418 6.955 -5.787 9.579 1.00 0.00 H new ATOM 0 HB2 GLU A 418 6.834 -3.770 11.877 1.00 0.00 H new ATOM 0 HB3 GLU A 418 5.571 -3.923 10.671 1.00 0.00 H new ATOM 0 HG2 GLU A 418 5.242 -6.315 11.276 1.00 0.00 H new ATOM 0 HG3 GLU A 418 6.561 -6.228 12.426 1.00 0.00 H new ATOM 33 N VAL A 419 6.957 -3.492 8.319 1.00 0.00 N ATOM 34 CA VAL A 419 7.271 -2.374 7.375 1.00 0.00 C ATOM 35 C VAL A 419 6.277 -1.239 7.599 1.00 0.00 C ATOM 36 O VAL A 419 5.080 -1.446 7.661 1.00 0.00 O ATOM 37 CB VAL A 419 7.172 -2.878 5.934 1.00 0.00 C ATOM 38 CG1 VAL A 419 8.311 -3.864 5.674 1.00 0.00 C ATOM 39 CG2 VAL A 419 5.831 -3.583 5.712 1.00 0.00 C ATOM 0 H VAL A 419 6.054 -3.940 8.164 1.00 0.00 H new ATOM 0 HA VAL A 419 8.283 -2.011 7.555 1.00 0.00 H new ATOM 0 HB VAL A 419 7.244 -2.032 5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 419 8.249 -4.229 4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 419 9.267 -3.363 5.824 1.00 0.00 H new ATOM 0 HG13 VAL A 419 8.230 -4.704 6.364 1.00 0.00 H new ATOM 0 HG21 VAL A 419 5.772 -3.937 4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 419 5.748 -4.430 6.393 1.00 0.00 H new ATOM 0 HG23 VAL A 419 5.017 -2.884 5.902 1.00 0.00 H new ATOM 49 N MET A 420 6.769 -0.040 7.740 1.00 0.00 N ATOM 50 CA MET A 420 5.873 1.126 7.981 1.00 0.00 C ATOM 51 C MET A 420 5.568 1.821 6.657 1.00 0.00 C ATOM 52 O MET A 420 6.448 2.072 5.859 1.00 0.00 O ATOM 53 CB MET A 420 6.577 2.107 8.918 1.00 0.00 C ATOM 54 CG MET A 420 5.625 3.248 9.275 1.00 0.00 C ATOM 55 SD MET A 420 6.451 4.388 10.415 1.00 0.00 S ATOM 56 CE MET A 420 6.095 3.489 11.945 1.00 0.00 C ATOM 0 H MET A 420 7.763 0.184 7.698 1.00 0.00 H new ATOM 0 HA MET A 420 4.941 0.786 8.431 1.00 0.00 H new ATOM 0 HB2 MET A 420 6.900 1.593 9.823 1.00 0.00 H new ATOM 0 HB3 MET A 420 7.473 2.503 8.440 1.00 0.00 H new ATOM 0 HG2 MET A 420 5.319 3.777 8.372 1.00 0.00 H new ATOM 0 HG3 MET A 420 4.719 2.851 9.733 1.00 0.00 H new ATOM 0 HE1 MET A 420 6.158 4.173 12.792 1.00 0.00 H new ATOM 0 HE2 MET A 420 5.092 3.067 11.894 1.00 0.00 H new ATOM 0 HE3 MET A 420 6.821 2.686 12.072 1.00 0.00 H new ATOM 66 N VAL A 421 4.320 2.136 6.423 1.00 0.00 N ATOM 67 CA VAL A 421 3.924 2.824 5.157 1.00 0.00 C ATOM 68 C VAL A 421 3.030 4.010 5.498 1.00 0.00 C ATOM 69 O VAL A 421 2.514 4.110 6.598 1.00 0.00 O ATOM 70 CB VAL A 421 3.173 1.848 4.252 1.00 0.00 C ATOM 71 CG1 VAL A 421 4.134 0.753 3.790 1.00 0.00 C ATOM 72 CG2 VAL A 421 2.011 1.211 5.020 1.00 0.00 C ATOM 0 H VAL A 421 3.549 1.944 7.063 1.00 0.00 H new ATOM 0 HA VAL A 421 4.813 3.175 4.633 1.00 0.00 H new ATOM 0 HB VAL A 421 2.779 2.386 3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 421 3.604 0.053 3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 421 4.960 1.203 3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 421 4.524 0.221 4.658 1.00 0.00 H new ATOM 0 HG21 VAL A 421 1.481 0.517 4.368 1.00 0.00 H new ATOM 0 HG22 VAL A 421 2.398 0.673 5.885 1.00 0.00 H new ATOM 0 HG23 VAL A 421 1.326 1.990 5.354 1.00 0.00 H new ATOM 82 N PHE A 422 2.855 4.917 4.571 1.00 0.00 N ATOM 83 CA PHE A 422 2.008 6.120 4.832 1.00 0.00 C ATOM 84 C PHE A 422 0.900 6.201 3.790 1.00 0.00 C ATOM 85 O PHE A 422 1.100 5.921 2.624 1.00 0.00 O ATOM 86 CB PHE A 422 2.882 7.365 4.729 1.00 0.00 C ATOM 87 CG PHE A 422 4.024 7.247 5.707 1.00 0.00 C ATOM 88 CD1 PHE A 422 5.191 6.567 5.338 1.00 0.00 C ATOM 89 CD2 PHE A 422 3.918 7.815 6.981 1.00 0.00 C ATOM 90 CE1 PHE A 422 6.253 6.457 6.243 1.00 0.00 C ATOM 91 CE2 PHE A 422 4.979 7.704 7.886 1.00 0.00 C ATOM 92 CZ PHE A 422 6.147 7.025 7.516 1.00 0.00 C ATOM 0 H PHE A 422 3.265 4.875 3.638 1.00 0.00 H new ATOM 0 HA PHE A 422 1.565 6.051 5.826 1.00 0.00 H new ATOM 0 HB2 PHE A 422 3.265 7.473 3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 422 2.293 8.257 4.944 1.00 0.00 H new ATOM 0 HD1 PHE A 422 5.272 6.127 4.355 1.00 0.00 H new ATOM 0 HD2 PHE A 422 3.018 8.339 7.266 1.00 0.00 H new ATOM 0 HE1 PHE A 422 7.154 5.934 5.958 1.00 0.00 H new ATOM 0 HE2 PHE A 422 4.898 8.142 8.870 1.00 0.00 H new ATOM 0 HZ PHE A 422 6.966 6.940 8.215 1.00 0.00 H new ATOM 102 N THR A 423 -0.274 6.578 4.213 1.00 0.00 N ATOM 103 CA THR A 423 -1.430 6.682 3.275 1.00 0.00 C ATOM 104 C THR A 423 -1.619 8.158 2.889 1.00 0.00 C ATOM 105 O THR A 423 -0.936 9.023 3.402 1.00 0.00 O ATOM 106 CB THR A 423 -2.700 6.156 3.978 1.00 0.00 C ATOM 107 OG1 THR A 423 -3.475 7.250 4.450 1.00 0.00 O ATOM 108 CG2 THR A 423 -2.314 5.266 5.165 1.00 0.00 C ATOM 0 H THR A 423 -0.486 6.822 5.181 1.00 0.00 H new ATOM 0 HA THR A 423 -1.246 6.090 2.378 1.00 0.00 H new ATOM 0 HB THR A 423 -3.281 5.574 3.263 1.00 0.00 H new ATOM 0 HG1 THR A 423 -4.281 6.913 4.894 1.00 0.00 H new ATOM 0 HG21 THR A 423 -3.217 4.900 5.654 1.00 0.00 H new ATOM 0 HG22 THR A 423 -1.726 4.420 4.809 1.00 0.00 H new ATOM 0 HG23 THR A 423 -1.725 5.844 5.877 1.00 0.00 H new ATOM 116 N PRO A 424 -2.539 8.452 2.000 1.00 0.00 N ATOM 117 CA PRO A 424 -2.813 9.858 1.565 1.00 0.00 C ATOM 118 C PRO A 424 -3.204 10.749 2.751 1.00 0.00 C ATOM 119 O PRO A 424 -2.957 11.939 2.762 1.00 0.00 O ATOM 120 CB PRO A 424 -3.985 9.720 0.574 1.00 0.00 C ATOM 121 CG PRO A 424 -3.947 8.296 0.122 1.00 0.00 C ATOM 122 CD PRO A 424 -3.424 7.496 1.311 1.00 0.00 C ATOM 0 HA PRO A 424 -1.936 10.330 1.122 1.00 0.00 H new ATOM 0 HB2 PRO A 424 -4.936 9.957 1.052 1.00 0.00 H new ATOM 0 HB3 PRO A 424 -3.872 10.404 -0.267 1.00 0.00 H new ATOM 0 HG2 PRO A 424 -4.938 7.953 -0.174 1.00 0.00 H new ATOM 0 HG3 PRO A 424 -3.297 8.178 -0.745 1.00 0.00 H new ATOM 0 HD2 PRO A 424 -4.235 7.160 1.958 1.00 0.00 H new ATOM 0 HD3 PRO A 424 -2.883 6.606 0.990 1.00 0.00 H new ATOM 130 N LYS A 425 -3.818 10.173 3.747 1.00 0.00 N ATOM 131 CA LYS A 425 -4.238 10.966 4.933 1.00 0.00 C ATOM 132 C LYS A 425 -3.038 11.152 5.865 1.00 0.00 C ATOM 133 O LYS A 425 -3.117 11.829 6.871 1.00 0.00 O ATOM 134 CB LYS A 425 -5.350 10.209 5.666 1.00 0.00 C ATOM 135 CG LYS A 425 -6.611 10.178 4.794 1.00 0.00 C ATOM 136 CD LYS A 425 -7.682 9.297 5.452 1.00 0.00 C ATOM 137 CE LYS A 425 -8.336 10.040 6.624 1.00 0.00 C ATOM 138 NZ LYS A 425 -9.541 9.287 7.076 1.00 0.00 N ATOM 0 H LYS A 425 -4.048 9.180 3.789 1.00 0.00 H new ATOM 0 HA LYS A 425 -4.605 11.943 4.620 1.00 0.00 H new ATOM 0 HB2 LYS A 425 -5.025 9.193 5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 425 -5.566 10.692 6.619 1.00 0.00 H new ATOM 0 HG2 LYS A 425 -6.994 11.189 4.657 1.00 0.00 H new ATOM 0 HG3 LYS A 425 -6.369 9.792 3.804 1.00 0.00 H new ATOM 0 HD2 LYS A 425 -8.440 9.024 4.717 1.00 0.00 H new ATOM 0 HD3 LYS A 425 -7.232 8.369 5.806 1.00 0.00 H new ATOM 0 HE2 LYS A 425 -7.627 10.141 7.446 1.00 0.00 H new ATOM 0 HE3 LYS A 425 -8.617 11.048 6.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 425 -9.986 9.789 7.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 425 -10.219 9.212 6.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 425 -9.260 8.334 7.383 1.00 0.00 H new ATOM 152 N GLY A 426 -1.926 10.550 5.537 1.00 0.00 N ATOM 153 CA GLY A 426 -0.717 10.684 6.398 1.00 0.00 C ATOM 154 C GLY A 426 -0.812 9.703 7.568 1.00 0.00 C ATOM 155 O GLY A 426 -0.028 9.748 8.494 1.00 0.00 O ATOM 0 H GLY A 426 -1.803 9.970 4.707 1.00 0.00 H new ATOM 0 HA2 GLY A 426 0.182 10.485 5.815 1.00 0.00 H new ATOM 0 HA3 GLY A 426 -0.635 11.705 6.771 1.00 0.00 H new ATOM 159 N GLU A 427 -1.772 8.822 7.534 1.00 0.00 N ATOM 160 CA GLU A 427 -1.929 7.843 8.646 1.00 0.00 C ATOM 161 C GLU A 427 -0.784 6.833 8.632 1.00 0.00 C ATOM 162 O GLU A 427 -0.211 6.538 7.602 1.00 0.00 O ATOM 163 CB GLU A 427 -3.261 7.107 8.489 1.00 0.00 C ATOM 164 CG GLU A 427 -4.415 8.089 8.694 1.00 0.00 C ATOM 165 CD GLU A 427 -4.459 8.540 10.156 1.00 0.00 C ATOM 166 OE1 GLU A 427 -3.744 7.961 10.959 1.00 0.00 O ATOM 167 OE2 GLU A 427 -5.206 9.458 10.450 1.00 0.00 O ATOM 0 H GLU A 427 -2.456 8.737 6.782 1.00 0.00 H new ATOM 0 HA GLU A 427 -1.912 8.380 9.595 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -3.325 6.656 7.499 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -3.327 6.295 9.213 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -4.290 8.953 8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 427 -5.359 7.617 8.421 1.00 0.00 H new ATOM 174 N ILE A 428 -0.447 6.299 9.778 1.00 0.00 N ATOM 175 CA ILE A 428 0.662 5.302 9.858 1.00 0.00 C ATOM 176 C ILE A 428 0.078 3.894 9.935 1.00 0.00 C ATOM 177 O ILE A 428 -0.696 3.584 10.818 1.00 0.00 O ATOM 178 CB ILE A 428 1.488 5.574 11.116 1.00 0.00 C ATOM 179 CG1 ILE A 428 1.791 7.074 11.216 1.00 0.00 C ATOM 180 CG2 ILE A 428 2.795 4.784 11.050 1.00 0.00 C ATOM 181 CD1 ILE A 428 2.384 7.581 9.896 1.00 0.00 C ATOM 0 H ILE A 428 -0.896 6.513 10.668 1.00 0.00 H new ATOM 0 HA ILE A 428 1.294 5.385 8.974 1.00 0.00 H new ATOM 0 HB ILE A 428 0.925 5.263 11.996 1.00 0.00 H new ATOM 0 HG12 ILE A 428 0.878 7.623 11.448 1.00 0.00 H new ATOM 0 HG13 ILE A 428 2.490 7.258 12.032 1.00 0.00 H new ATOM 0 HG21 ILE A 428 3.383 4.978 11.947 1.00 0.00 H new ATOM 0 HG22 ILE A 428 2.573 3.719 10.985 1.00 0.00 H new ATOM 0 HG23 ILE A 428 3.362 5.091 10.171 1.00 0.00 H new ATOM 0 HD11 ILE A 428 2.595 8.647 9.978 1.00 0.00 H new ATOM 0 HD12 ILE A 428 3.308 7.043 9.682 1.00 0.00 H new ATOM 0 HD13 ILE A 428 1.671 7.413 9.089 1.00 0.00 H new ATOM 193 N LYS A 429 0.444 3.040 9.013 1.00 0.00 N ATOM 194 CA LYS A 429 -0.085 1.641 9.018 1.00 0.00 C ATOM 195 C LYS A 429 1.086 0.667 8.940 1.00 0.00 C ATOM 196 O LYS A 429 1.970 0.808 8.118 1.00 0.00 O ATOM 197 CB LYS A 429 -0.994 1.449 7.802 1.00 0.00 C ATOM 198 CG LYS A 429 -2.142 2.469 7.841 1.00 0.00 C ATOM 199 CD LYS A 429 -3.074 2.176 9.023 1.00 0.00 C ATOM 200 CE LYS A 429 -4.391 2.930 8.836 1.00 0.00 C ATOM 201 NZ LYS A 429 -5.314 2.588 9.955 1.00 0.00 N ATOM 0 H LYS A 429 1.090 3.252 8.253 1.00 0.00 H new ATOM 0 HA LYS A 429 -0.652 1.457 9.931 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -0.419 1.571 6.884 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -1.396 0.436 7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -1.738 3.478 7.929 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -2.704 2.430 6.908 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -3.263 1.105 9.093 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -2.600 2.478 9.957 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -4.209 4.004 8.814 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -4.844 2.664 7.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -6.212 3.098 9.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -5.495 1.564 9.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -4.880 2.863 10.859 1.00 0.00 H new ATOM 215 N ARG A 430 1.098 -0.319 9.798 1.00 0.00 N ATOM 216 CA ARG A 430 2.207 -1.319 9.799 1.00 0.00 C ATOM 217 C ARG A 430 1.692 -2.643 9.259 1.00 0.00 C ATOM 218 O ARG A 430 0.627 -3.098 9.629 1.00 0.00 O ATOM 219 CB ARG A 430 2.701 -1.517 11.228 1.00 0.00 C ATOM 220 CG ARG A 430 3.423 -0.252 11.683 1.00 0.00 C ATOM 221 CD ARG A 430 3.898 -0.428 13.124 1.00 0.00 C ATOM 222 NE ARG A 430 4.641 0.793 13.553 1.00 0.00 N ATOM 223 CZ ARG A 430 4.003 1.809 14.073 1.00 0.00 C ATOM 224 NH1 ARG A 430 2.705 1.773 14.209 1.00 0.00 N ATOM 225 NH2 ARG A 430 4.668 2.866 14.453 1.00 0.00 N ATOM 0 H ARG A 430 0.380 -0.476 10.505 1.00 0.00 H new ATOM 0 HA ARG A 430 3.024 -0.962 9.172 1.00 0.00 H new ATOM 0 HB2 ARG A 430 1.862 -1.731 11.890 1.00 0.00 H new ATOM 0 HB3 ARG A 430 3.373 -2.373 11.279 1.00 0.00 H new ATOM 0 HG2 ARG A 430 4.273 -0.051 11.031 1.00 0.00 H new ATOM 0 HG3 ARG A 430 2.755 0.607 11.611 1.00 0.00 H new ATOM 0 HD2 ARG A 430 3.045 -0.598 13.781 1.00 0.00 H new ATOM 0 HD3 ARG A 430 4.541 -1.305 13.202 1.00 0.00 H new ATOM 0 HE ARG A 430 5.654 0.835 13.440 1.00 0.00 H new ATOM 0 HH11 ARG A 430 2.183 0.949 13.909 1.00 0.00 H new ATOM 0 HH12 ARG A 430 2.213 2.568 14.615 1.00 0.00 H new ATOM 0 HH21 ARG A 430 5.682 2.897 14.344 1.00 0.00 H new ATOM 0 HH22 ARG A 430 4.174 3.661 14.859 1.00 0.00 H new ATOM 239 N LEU A 431 2.440 -3.267 8.384 1.00 0.00 N ATOM 240 CA LEU A 431 2.006 -4.575 7.805 1.00 0.00 C ATOM 241 C LEU A 431 3.114 -5.616 8.011 1.00 0.00 C ATOM 242 O LEU A 431 4.266 -5.264 8.175 1.00 0.00 O ATOM 243 CB LEU A 431 1.749 -4.401 6.310 1.00 0.00 C ATOM 244 CG LEU A 431 0.772 -3.243 6.081 1.00 0.00 C ATOM 245 CD1 LEU A 431 0.689 -2.945 4.583 1.00 0.00 C ATOM 246 CD2 LEU A 431 -0.622 -3.617 6.607 1.00 0.00 C ATOM 0 H LEU A 431 3.338 -2.924 8.044 1.00 0.00 H new ATOM 0 HA LEU A 431 1.094 -4.910 8.299 1.00 0.00 H new ATOM 0 HB2 LEU A 431 2.687 -4.205 5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 431 1.340 -5.321 5.893 1.00 0.00 H new ATOM 0 HG LEU A 431 1.127 -2.362 6.615 1.00 0.00 H new ATOM 0 HD11 LEU A 431 -0.005 -2.122 4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 431 1.676 -2.670 4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 431 0.337 -3.831 4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 431 -1.309 -2.787 6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 431 -0.985 -4.500 6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 431 -0.563 -3.829 7.674 1.00 0.00 H new ATOM 258 N PRO A 432 2.785 -6.894 7.996 1.00 0.00 N ATOM 259 CA PRO A 432 3.799 -7.980 8.177 1.00 0.00 C ATOM 260 C PRO A 432 4.888 -7.944 7.094 1.00 0.00 C ATOM 261 O PRO A 432 4.660 -7.521 5.979 1.00 0.00 O ATOM 262 CB PRO A 432 2.980 -9.283 8.088 1.00 0.00 C ATOM 263 CG PRO A 432 1.564 -8.879 8.343 1.00 0.00 C ATOM 264 CD PRO A 432 1.428 -7.455 7.816 1.00 0.00 C ATOM 0 HA PRO A 432 4.333 -7.877 9.121 1.00 0.00 H new ATOM 0 HB2 PRO A 432 3.086 -9.747 7.108 1.00 0.00 H new ATOM 0 HB3 PRO A 432 3.319 -10.012 8.824 1.00 0.00 H new ATOM 0 HG2 PRO A 432 0.870 -9.550 7.836 1.00 0.00 H new ATOM 0 HG3 PRO A 432 1.332 -8.924 9.407 1.00 0.00 H new ATOM 0 HD2 PRO A 432 1.122 -7.441 6.770 1.00 0.00 H new ATOM 0 HD3 PRO A 432 0.682 -6.889 8.374 1.00 0.00 H new ATOM 272 N GLN A 433 6.072 -8.379 7.426 1.00 0.00 N ATOM 273 CA GLN A 433 7.187 -8.364 6.438 1.00 0.00 C ATOM 274 C GLN A 433 6.780 -9.102 5.159 1.00 0.00 C ATOM 275 O GLN A 433 6.178 -10.158 5.198 1.00 0.00 O ATOM 276 CB GLN A 433 8.414 -9.045 7.052 1.00 0.00 C ATOM 277 CG GLN A 433 9.612 -8.921 6.105 1.00 0.00 C ATOM 278 CD GLN A 433 10.010 -7.449 5.975 1.00 0.00 C ATOM 279 OE1 GLN A 433 10.353 -6.813 6.952 1.00 0.00 O ATOM 280 NE2 GLN A 433 9.971 -6.876 4.803 1.00 0.00 N ATOM 0 H GLN A 433 6.316 -8.747 8.346 1.00 0.00 H new ATOM 0 HA GLN A 433 7.422 -7.330 6.185 1.00 0.00 H new ATOM 0 HB2 GLN A 433 8.651 -8.588 8.013 1.00 0.00 H new ATOM 0 HB3 GLN A 433 8.199 -10.096 7.243 1.00 0.00 H new ATOM 0 HG2 GLN A 433 10.451 -9.503 6.485 1.00 0.00 H new ATOM 0 HG3 GLN A 433 9.359 -9.328 5.126 1.00 0.00 H new ATOM 0 HE21 GLN A 433 9.683 -7.410 3.983 1.00 0.00 H new ATOM 0 HE22 GLN A 433 10.229 -5.894 4.707 1.00 0.00 H new ATOM 289 N GLY A 434 7.115 -8.547 4.024 1.00 0.00 N ATOM 290 CA GLY A 434 6.764 -9.195 2.727 1.00 0.00 C ATOM 291 C GLY A 434 5.335 -8.816 2.338 1.00 0.00 C ATOM 292 O GLY A 434 4.742 -9.408 1.458 1.00 0.00 O ATOM 0 H GLY A 434 7.621 -7.665 3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 434 7.460 -8.878 1.950 1.00 0.00 H new ATOM 0 HA3 GLY A 434 6.854 -10.278 2.813 1.00 0.00 H new ATOM 296 N ALA A 435 4.776 -7.836 2.993 1.00 0.00 N ATOM 297 CA ALA A 435 3.381 -7.417 2.675 1.00 0.00 C ATOM 298 C ALA A 435 3.316 -6.841 1.259 1.00 0.00 C ATOM 299 O ALA A 435 4.313 -6.432 0.697 1.00 0.00 O ATOM 300 CB ALA A 435 2.925 -6.355 3.674 1.00 0.00 C ATOM 0 H ALA A 435 5.227 -7.305 3.738 1.00 0.00 H new ATOM 0 HA ALA A 435 2.727 -8.287 2.739 1.00 0.00 H new ATOM 0 HB1 ALA A 435 1.905 -6.050 3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 435 2.958 -6.766 4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 435 3.586 -5.490 3.613 1.00 0.00 H new ATOM 306 N THR A 436 2.140 -6.815 0.678 1.00 0.00 N ATOM 307 CA THR A 436 1.976 -6.279 -0.710 1.00 0.00 C ATOM 308 C THR A 436 0.885 -5.209 -0.732 1.00 0.00 C ATOM 309 O THR A 436 0.187 -4.989 0.238 1.00 0.00 O ATOM 310 CB THR A 436 1.578 -7.422 -1.645 1.00 0.00 C ATOM 311 OG1 THR A 436 0.291 -7.904 -1.283 1.00 0.00 O ATOM 312 CG2 THR A 436 2.603 -8.550 -1.532 1.00 0.00 C ATOM 0 H THR A 436 1.278 -7.146 1.112 1.00 0.00 H new ATOM 0 HA THR A 436 2.917 -5.838 -1.038 1.00 0.00 H new ATOM 0 HB THR A 436 1.550 -7.061 -2.673 1.00 0.00 H new ATOM 0 HG1 THR A 436 0.035 -8.635 -1.883 1.00 0.00 H new ATOM 0 HG21 THR A 436 2.321 -9.366 -2.198 1.00 0.00 H new ATOM 0 HG22 THR A 436 3.588 -8.176 -1.813 1.00 0.00 H new ATOM 0 HG23 THR A 436 2.632 -8.914 -0.505 1.00 0.00 H new ATOM 320 N ALA A 437 0.745 -4.541 -1.840 1.00 0.00 N ATOM 321 CA ALA A 437 -0.284 -3.475 -1.961 1.00 0.00 C ATOM 322 C ALA A 437 -1.672 -4.053 -1.670 1.00 0.00 C ATOM 323 O ALA A 437 -2.569 -3.353 -1.245 1.00 0.00 O ATOM 324 CB ALA A 437 -0.254 -2.930 -3.391 1.00 0.00 C ATOM 0 H ALA A 437 1.307 -4.690 -2.678 1.00 0.00 H new ATOM 0 HA ALA A 437 -0.074 -2.679 -1.247 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -1.004 -2.146 -3.497 1.00 0.00 H new ATOM 0 HB2 ALA A 437 0.733 -2.519 -3.603 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -0.470 -3.736 -4.092 1.00 0.00 H new ATOM 330 N LEU A 438 -1.864 -5.318 -1.914 1.00 0.00 N ATOM 331 CA LEU A 438 -3.201 -5.922 -1.667 1.00 0.00 C ATOM 332 C LEU A 438 -3.536 -5.823 -0.175 1.00 0.00 C ATOM 333 O LEU A 438 -4.620 -5.432 0.208 1.00 0.00 O ATOM 334 CB LEU A 438 -3.162 -7.401 -2.098 1.00 0.00 C ATOM 335 CG LEU A 438 -4.556 -7.866 -2.552 1.00 0.00 C ATOM 336 CD1 LEU A 438 -5.585 -7.588 -1.448 1.00 0.00 C ATOM 337 CD2 LEU A 438 -4.961 -7.132 -3.856 1.00 0.00 C ATOM 0 H LEU A 438 -1.155 -5.958 -2.273 1.00 0.00 H new ATOM 0 HA LEU A 438 -3.964 -5.393 -2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 438 -2.446 -7.531 -2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 438 -2.818 -8.019 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 438 -4.527 -8.938 -2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 438 -6.570 -7.920 -1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 438 -5.303 -8.128 -0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 438 -5.614 -6.519 -1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 438 -5.949 -7.467 -4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 438 -4.983 -6.057 -3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 438 -4.236 -7.355 -4.639 1.00 0.00 H new ATOM 349 N ASP A 439 -2.604 -6.173 0.666 1.00 0.00 N ATOM 350 CA ASP A 439 -2.850 -6.104 2.133 1.00 0.00 C ATOM 351 C ASP A 439 -3.065 -4.648 2.545 1.00 0.00 C ATOM 352 O ASP A 439 -3.898 -4.338 3.373 1.00 0.00 O ATOM 353 CB ASP A 439 -1.638 -6.672 2.873 1.00 0.00 C ATOM 354 CG ASP A 439 -1.603 -8.194 2.707 1.00 0.00 C ATOM 355 OD1 ASP A 439 -2.606 -8.750 2.292 1.00 0.00 O ATOM 356 OD2 ASP A 439 -0.572 -8.776 2.999 1.00 0.00 O ATOM 0 H ASP A 439 -1.678 -6.506 0.399 1.00 0.00 H new ATOM 0 HA ASP A 439 -3.737 -6.685 2.385 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -0.721 -6.232 2.481 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -1.690 -6.412 3.930 1.00 0.00 H new ATOM 361 N PHE A 440 -2.314 -3.752 1.968 1.00 0.00 N ATOM 362 CA PHE A 440 -2.456 -2.311 2.311 1.00 0.00 C ATOM 363 C PHE A 440 -3.871 -1.834 1.977 1.00 0.00 C ATOM 364 O PHE A 440 -4.506 -1.144 2.751 1.00 0.00 O ATOM 365 CB PHE A 440 -1.442 -1.506 1.500 1.00 0.00 C ATOM 366 CG PHE A 440 -1.613 -0.034 1.788 1.00 0.00 C ATOM 367 CD1 PHE A 440 -1.196 0.493 3.017 1.00 0.00 C ATOM 368 CD2 PHE A 440 -2.184 0.807 0.825 1.00 0.00 C ATOM 369 CE1 PHE A 440 -1.353 1.858 3.282 1.00 0.00 C ATOM 370 CE2 PHE A 440 -2.340 2.172 1.091 1.00 0.00 C ATOM 371 CZ PHE A 440 -1.924 2.698 2.319 1.00 0.00 C ATOM 0 H PHE A 440 -1.602 -3.959 1.268 1.00 0.00 H new ATOM 0 HA PHE A 440 -2.276 -2.170 3.377 1.00 0.00 H new ATOM 0 HB2 PHE A 440 -0.429 -1.820 1.752 1.00 0.00 H new ATOM 0 HB3 PHE A 440 -1.580 -1.696 0.436 1.00 0.00 H new ATOM 0 HD1 PHE A 440 -0.753 -0.154 3.760 1.00 0.00 H new ATOM 0 HD2 PHE A 440 -2.504 0.402 -0.124 1.00 0.00 H new ATOM 0 HE1 PHE A 440 -1.033 2.264 4.230 1.00 0.00 H new ATOM 0 HE2 PHE A 440 -2.782 2.820 0.348 1.00 0.00 H new ATOM 0 HZ PHE A 440 -2.043 3.752 2.524 1.00 0.00 H new ATOM 381 N ALA A 441 -4.369 -2.195 0.828 1.00 0.00 N ATOM 382 CA ALA A 441 -5.737 -1.764 0.437 1.00 0.00 C ATOM 383 C ALA A 441 -6.760 -2.333 1.426 1.00 0.00 C ATOM 384 O ALA A 441 -7.709 -1.675 1.806 1.00 0.00 O ATOM 385 CB ALA A 441 -6.035 -2.285 -0.972 1.00 0.00 C ATOM 0 H ALA A 441 -3.884 -2.772 0.141 1.00 0.00 H new ATOM 0 HA ALA A 441 -5.800 -0.676 0.450 1.00 0.00 H new ATOM 0 HB1 ALA A 441 -7.037 -1.975 -1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 441 -5.306 -1.878 -1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 441 -5.975 -3.373 -0.978 1.00 0.00 H new ATOM 391 N TYR A 442 -6.567 -3.552 1.846 1.00 0.00 N ATOM 392 CA TYR A 442 -7.513 -4.178 2.813 1.00 0.00 C ATOM 393 C TYR A 442 -7.409 -3.467 4.166 1.00 0.00 C ATOM 394 O TYR A 442 -8.388 -3.294 4.866 1.00 0.00 O ATOM 395 CB TYR A 442 -7.152 -5.667 2.976 1.00 0.00 C ATOM 396 CG TYR A 442 -7.835 -6.489 1.902 1.00 0.00 C ATOM 397 CD1 TYR A 442 -7.734 -6.112 0.555 1.00 0.00 C ATOM 398 CD2 TYR A 442 -8.578 -7.624 2.254 1.00 0.00 C ATOM 399 CE1 TYR A 442 -8.373 -6.869 -0.433 1.00 0.00 C ATOM 400 CE2 TYR A 442 -9.217 -8.379 1.265 1.00 0.00 C ATOM 401 CZ TYR A 442 -9.115 -8.002 -0.077 1.00 0.00 C ATOM 402 OH TYR A 442 -9.747 -8.745 -1.053 1.00 0.00 O ATOM 0 H TYR A 442 -5.789 -4.146 1.559 1.00 0.00 H new ATOM 0 HA TYR A 442 -8.534 -4.088 2.442 1.00 0.00 H new ATOM 0 HB2 TYR A 442 -6.072 -5.796 2.912 1.00 0.00 H new ATOM 0 HB3 TYR A 442 -7.457 -6.017 3.962 1.00 0.00 H new ATOM 0 HD1 TYR A 442 -7.163 -5.237 0.280 1.00 0.00 H new ATOM 0 HD2 TYR A 442 -8.657 -7.916 3.291 1.00 0.00 H new ATOM 0 HE1 TYR A 442 -8.294 -6.579 -1.470 1.00 0.00 H new ATOM 0 HE2 TYR A 442 -9.789 -9.253 1.538 1.00 0.00 H new ATOM 0 HH TYR A 442 -10.529 -8.255 -1.382 1.00 0.00 H new ATOM 412 N SER A 443 -6.230 -3.061 4.538 1.00 0.00 N ATOM 413 CA SER A 443 -6.054 -2.374 5.845 1.00 0.00 C ATOM 414 C SER A 443 -6.906 -1.104 5.881 1.00 0.00 C ATOM 415 O SER A 443 -7.558 -0.809 6.863 1.00 0.00 O ATOM 416 CB SER A 443 -4.583 -2.000 6.015 1.00 0.00 C ATOM 417 OG SER A 443 -4.454 -1.065 7.076 1.00 0.00 O ATOM 0 H SER A 443 -5.377 -3.176 3.991 1.00 0.00 H new ATOM 0 HA SER A 443 -6.366 -3.038 6.651 1.00 0.00 H new ATOM 0 HB2 SER A 443 -3.992 -2.891 6.227 1.00 0.00 H new ATOM 0 HB3 SER A 443 -4.196 -1.573 5.090 1.00 0.00 H new ATOM 0 HG SER A 443 -3.510 -0.825 7.188 1.00 0.00 H new ATOM 423 N LEU A 444 -6.904 -0.350 4.819 1.00 0.00 N ATOM 424 CA LEU A 444 -7.709 0.901 4.790 1.00 0.00 C ATOM 425 C LEU A 444 -9.193 0.558 4.892 1.00 0.00 C ATOM 426 O LEU A 444 -9.812 0.749 5.920 1.00 0.00 O ATOM 427 CB LEU A 444 -7.452 1.636 3.476 1.00 0.00 C ATOM 428 CG LEU A 444 -5.952 1.903 3.319 1.00 0.00 C ATOM 429 CD1 LEU A 444 -5.702 2.582 1.969 1.00 0.00 C ATOM 430 CD2 LEU A 444 -5.455 2.811 4.459 1.00 0.00 C ATOM 0 H LEU A 444 -6.378 -0.547 3.967 1.00 0.00 H new ATOM 0 HA LEU A 444 -7.424 1.535 5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 444 -7.815 1.041 2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 444 -8.002 2.577 3.461 1.00 0.00 H new ATOM 0 HG LEU A 444 -5.409 0.959 3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 444 -4.636 2.775 1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 444 -6.044 1.930 1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 444 -6.248 3.525 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 444 -4.387 2.995 4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 444 -5.992 3.759 4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 444 -5.633 2.323 5.417 1.00 0.00 H new ATOM 442 N HIS A 445 -9.773 0.062 3.826 1.00 0.00 N ATOM 443 CA HIS A 445 -11.227 -0.289 3.842 1.00 0.00 C ATOM 444 C HIS A 445 -11.436 -1.652 3.174 1.00 0.00 C ATOM 445 O HIS A 445 -10.503 -2.293 2.730 1.00 0.00 O ATOM 446 CB HIS A 445 -12.017 0.796 3.081 1.00 0.00 C ATOM 447 CG HIS A 445 -13.342 1.031 3.752 1.00 0.00 C ATOM 448 ND1 HIS A 445 -14.041 0.012 4.376 1.00 0.00 N ATOM 449 CD2 HIS A 445 -14.095 2.161 3.917 1.00 0.00 C ATOM 450 CE1 HIS A 445 -15.166 0.545 4.884 1.00 0.00 C ATOM 451 NE2 HIS A 445 -15.249 1.856 4.633 1.00 0.00 N ATOM 0 H HIS A 445 -9.298 -0.116 2.941 1.00 0.00 H new ATOM 0 HA HIS A 445 -11.581 -0.342 4.871 1.00 0.00 H new ATOM 0 HB2 HIS A 445 -11.444 1.723 3.053 1.00 0.00 H new ATOM 0 HB3 HIS A 445 -12.173 0.487 2.047 1.00 0.00 H new ATOM 0 HD2 HIS A 445 -13.834 3.142 3.548 1.00 0.00 H new ATOM 0 HE1 HIS A 445 -15.911 -0.017 5.428 1.00 0.00 H new ATOM 0 HE2 HIS A 445 -15.996 2.494 4.907 1.00 0.00 H new ATOM 459 N SER A 446 -12.664 -2.092 3.108 1.00 0.00 N ATOM 460 CA SER A 446 -12.978 -3.407 2.474 1.00 0.00 C ATOM 461 C SER A 446 -13.564 -3.171 1.080 1.00 0.00 C ATOM 462 O SER A 446 -13.067 -3.675 0.092 1.00 0.00 O ATOM 463 CB SER A 446 -14.010 -4.133 3.334 1.00 0.00 C ATOM 464 OG SER A 446 -15.293 -3.567 3.097 1.00 0.00 O ATOM 0 H SER A 446 -13.474 -1.590 3.471 1.00 0.00 H new ATOM 0 HA SER A 446 -12.071 -4.005 2.392 1.00 0.00 H new ATOM 0 HB2 SER A 446 -14.018 -5.196 3.095 1.00 0.00 H new ATOM 0 HB3 SER A 446 -13.749 -4.046 4.389 1.00 0.00 H new ATOM 0 HG SER A 446 -15.961 -4.030 3.645 1.00 0.00 H new ATOM 470 N ASP A 447 -14.622 -2.410 0.996 1.00 0.00 N ATOM 471 CA ASP A 447 -15.248 -2.140 -0.327 1.00 0.00 C ATOM 472 C ASP A 447 -14.302 -1.306 -1.193 1.00 0.00 C ATOM 473 O ASP A 447 -14.157 -1.540 -2.376 1.00 0.00 O ATOM 474 CB ASP A 447 -16.559 -1.373 -0.120 1.00 0.00 C ATOM 475 CG ASP A 447 -16.291 -0.094 0.678 1.00 0.00 C ATOM 476 OD1 ASP A 447 -15.199 0.038 1.206 1.00 0.00 O ATOM 477 OD2 ASP A 447 -17.187 0.732 0.753 1.00 0.00 O ATOM 0 H ASP A 447 -15.080 -1.963 1.790 1.00 0.00 H new ATOM 0 HA ASP A 447 -15.449 -3.087 -0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 447 -17.002 -1.125 -1.084 1.00 0.00 H new ATOM 0 HB3 ASP A 447 -17.278 -1.999 0.409 1.00 0.00 H new ATOM 482 N LEU A 448 -13.663 -0.330 -0.612 1.00 0.00 N ATOM 483 CA LEU A 448 -12.734 0.526 -1.398 1.00 0.00 C ATOM 484 C LEU A 448 -11.565 -0.332 -1.897 1.00 0.00 C ATOM 485 O LEU A 448 -11.158 -0.249 -3.038 1.00 0.00 O ATOM 486 CB LEU A 448 -12.215 1.648 -0.482 1.00 0.00 C ATOM 487 CG LEU A 448 -11.853 2.902 -1.298 1.00 0.00 C ATOM 488 CD1 LEU A 448 -10.895 2.529 -2.435 1.00 0.00 C ATOM 489 CD2 LEU A 448 -13.130 3.555 -1.879 1.00 0.00 C ATOM 0 H LEU A 448 -13.745 -0.088 0.376 1.00 0.00 H new ATOM 0 HA LEU A 448 -13.245 0.962 -2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 448 -12.974 1.898 0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 448 -11.339 1.300 0.065 1.00 0.00 H new ATOM 0 HG LEU A 448 -11.363 3.618 -0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 448 -10.644 3.422 -3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 448 -9.985 2.098 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 448 -11.374 1.801 -3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 448 -12.857 4.440 -2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 448 -13.639 2.843 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 448 -13.795 3.842 -1.064 1.00 0.00 H new ATOM 501 N GLY A 449 -11.026 -1.156 -1.040 1.00 0.00 N ATOM 502 CA GLY A 449 -9.885 -2.020 -1.449 1.00 0.00 C ATOM 503 C GLY A 449 -10.351 -3.022 -2.503 1.00 0.00 C ATOM 504 O GLY A 449 -9.634 -3.340 -3.431 1.00 0.00 O ATOM 0 H GLY A 449 -11.328 -1.267 -0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 449 -9.077 -1.407 -1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 449 -9.487 -2.548 -0.582 1.00 0.00 H new ATOM 508 N ASP A 450 -11.548 -3.521 -2.369 1.00 0.00 N ATOM 509 CA ASP A 450 -12.065 -4.501 -3.364 1.00 0.00 C ATOM 510 C ASP A 450 -12.343 -3.779 -4.682 1.00 0.00 C ATOM 511 O ASP A 450 -12.574 -4.395 -5.704 1.00 0.00 O ATOM 512 CB ASP A 450 -13.363 -5.115 -2.841 1.00 0.00 C ATOM 513 CG ASP A 450 -13.056 -6.038 -1.660 1.00 0.00 C ATOM 514 OD1 ASP A 450 -11.895 -6.369 -1.478 1.00 0.00 O ATOM 515 OD2 ASP A 450 -13.986 -6.399 -0.960 1.00 0.00 O ATOM 0 H ASP A 450 -12.192 -3.292 -1.612 1.00 0.00 H new ATOM 0 HA ASP A 450 -11.327 -5.287 -3.524 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -14.050 -4.328 -2.531 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -13.857 -5.675 -3.634 1.00 0.00 H new ATOM 520 N HIS A 451 -12.318 -2.472 -4.664 1.00 0.00 N ATOM 521 CA HIS A 451 -12.573 -1.681 -5.906 1.00 0.00 C ATOM 522 C HIS A 451 -11.241 -1.136 -6.420 1.00 0.00 C ATOM 523 O HIS A 451 -11.193 -0.249 -7.249 1.00 0.00 O ATOM 524 CB HIS A 451 -13.518 -0.522 -5.575 1.00 0.00 C ATOM 525 CG HIS A 451 -14.870 -1.075 -5.207 1.00 0.00 C ATOM 526 ND1 HIS A 451 -15.617 -0.572 -4.154 1.00 0.00 N ATOM 527 CD2 HIS A 451 -15.621 -2.092 -5.745 1.00 0.00 C ATOM 528 CE1 HIS A 451 -16.761 -1.281 -4.091 1.00 0.00 C ATOM 529 NE2 HIS A 451 -16.813 -2.220 -5.039 1.00 0.00 N ATOM 0 H HIS A 451 -12.130 -1.912 -3.832 1.00 0.00 H new ATOM 0 HA HIS A 451 -13.030 -2.309 -6.670 1.00 0.00 H new ATOM 0 HB2 HIS A 451 -13.116 0.067 -4.750 1.00 0.00 H new ATOM 0 HB3 HIS A 451 -13.606 0.147 -6.431 1.00 0.00 H new ATOM 0 HD2 HIS A 451 -15.330 -2.700 -6.589 1.00 0.00 H new ATOM 0 HE1 HIS A 451 -17.540 -1.111 -3.363 1.00 0.00 H new ATOM 0 HE2 HIS A 451 -17.565 -2.888 -5.209 1.00 0.00 H new ATOM 537 N CYS A 452 -10.153 -1.664 -5.925 1.00 0.00 N ATOM 538 CA CYS A 452 -8.817 -1.182 -6.370 1.00 0.00 C ATOM 539 C CYS A 452 -8.485 -1.772 -7.742 1.00 0.00 C ATOM 540 O CYS A 452 -8.470 -2.972 -7.928 1.00 0.00 O ATOM 541 CB CYS A 452 -7.759 -1.627 -5.356 1.00 0.00 C ATOM 542 SG CYS A 452 -6.232 -0.694 -5.622 1.00 0.00 S ATOM 0 H CYS A 452 -10.134 -2.410 -5.230 1.00 0.00 H new ATOM 0 HA CYS A 452 -8.828 -0.094 -6.440 1.00 0.00 H new ATOM 0 HB2 CYS A 452 -8.123 -1.466 -4.341 1.00 0.00 H new ATOM 0 HB3 CYS A 452 -7.567 -2.695 -5.460 1.00 0.00 H new ATOM 0 HG CYS A 452 -5.619 -1.155 -6.671 1.00 0.00 H new ATOM 548 N ILE A 453 -8.211 -0.927 -8.702 1.00 0.00 N ATOM 549 CA ILE A 453 -7.867 -1.411 -10.074 1.00 0.00 C ATOM 550 C ILE A 453 -6.355 -1.316 -10.284 1.00 0.00 C ATOM 551 O ILE A 453 -5.834 -1.726 -11.301 1.00 0.00 O ATOM 552 CB ILE A 453 -8.592 -0.542 -11.108 1.00 0.00 C ATOM 553 CG1 ILE A 453 -8.235 0.937 -10.894 1.00 0.00 C ATOM 554 CG2 ILE A 453 -10.103 -0.725 -10.947 1.00 0.00 C ATOM 555 CD1 ILE A 453 -8.760 1.770 -12.066 1.00 0.00 C ATOM 0 H ILE A 453 -8.211 0.087 -8.594 1.00 0.00 H new ATOM 0 HA ILE A 453 -8.178 -2.449 -10.189 1.00 0.00 H new ATOM 0 HB ILE A 453 -8.285 -0.843 -12.110 1.00 0.00 H new ATOM 0 HG12 ILE A 453 -8.668 1.294 -9.959 1.00 0.00 H new ATOM 0 HG13 ILE A 453 -7.154 1.052 -10.809 1.00 0.00 H new ATOM 0 HG21 ILE A 453 -10.624 -0.109 -11.680 1.00 0.00 H new ATOM 0 HG22 ILE A 453 -10.361 -1.772 -11.104 1.00 0.00 H new ATOM 0 HG23 ILE A 453 -10.401 -0.424 -9.943 1.00 0.00 H new ATOM 0 HD11 ILE A 453 -8.505 2.818 -11.910 1.00 0.00 H new ATOM 0 HD12 ILE A 453 -8.306 1.420 -12.993 1.00 0.00 H new ATOM 0 HD13 ILE A 453 -9.843 1.666 -12.130 1.00 0.00 H new ATOM 567 N GLY A 454 -5.644 -0.777 -9.331 1.00 0.00 N ATOM 568 CA GLY A 454 -4.168 -0.659 -9.493 1.00 0.00 C ATOM 569 C GLY A 454 -3.544 -0.129 -8.203 1.00 0.00 C ATOM 570 O GLY A 454 -4.230 0.192 -7.253 1.00 0.00 O ATOM 0 H GLY A 454 -6.018 -0.416 -8.454 1.00 0.00 H new ATOM 0 HA2 GLY A 454 -3.742 -1.631 -9.741 1.00 0.00 H new ATOM 0 HA3 GLY A 454 -3.937 0.011 -10.321 1.00 0.00 H new ATOM 574 N ALA A 455 -2.240 -0.037 -8.164 1.00 0.00 N ATOM 575 CA ALA A 455 -1.544 0.470 -6.941 1.00 0.00 C ATOM 576 C ALA A 455 -0.433 1.426 -7.361 1.00 0.00 C ATOM 577 O ALA A 455 0.176 1.261 -8.398 1.00 0.00 O ATOM 578 CB ALA A 455 -0.930 -0.705 -6.182 1.00 0.00 C ATOM 0 H ALA A 455 -1.621 -0.293 -8.933 1.00 0.00 H new ATOM 0 HA ALA A 455 -2.259 0.987 -6.300 1.00 0.00 H new ATOM 0 HB1 ALA A 455 -0.422 -0.337 -5.290 1.00 0.00 H new ATOM 0 HB2 ALA A 455 -1.717 -1.401 -5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 455 -0.212 -1.217 -6.823 1.00 0.00 H new ATOM 584 N LYS A 456 -0.163 2.428 -6.561 1.00 0.00 N ATOM 585 CA LYS A 456 0.916 3.404 -6.907 1.00 0.00 C ATOM 586 C LYS A 456 1.796 3.625 -5.678 1.00 0.00 C ATOM 587 O LYS A 456 1.327 4.031 -4.634 1.00 0.00 O ATOM 588 CB LYS A 456 0.275 4.731 -7.341 1.00 0.00 C ATOM 589 CG LYS A 456 1.252 5.518 -8.219 1.00 0.00 C ATOM 590 CD LYS A 456 0.558 6.760 -8.772 1.00 0.00 C ATOM 591 CE LYS A 456 1.521 7.499 -9.697 1.00 0.00 C ATOM 592 NZ LYS A 456 0.833 8.680 -10.288 1.00 0.00 N ATOM 0 H LYS A 456 -0.645 2.612 -5.681 1.00 0.00 H new ATOM 0 HA LYS A 456 1.526 3.018 -7.724 1.00 0.00 H new ATOM 0 HB2 LYS A 456 -0.646 4.538 -7.890 1.00 0.00 H new ATOM 0 HB3 LYS A 456 0.006 5.319 -6.464 1.00 0.00 H new ATOM 0 HG2 LYS A 456 2.127 5.807 -7.637 1.00 0.00 H new ATOM 0 HG3 LYS A 456 1.606 4.892 -9.038 1.00 0.00 H new ATOM 0 HD2 LYS A 456 -0.343 6.477 -9.316 1.00 0.00 H new ATOM 0 HD3 LYS A 456 0.246 7.411 -7.956 1.00 0.00 H new ATOM 0 HE2 LYS A 456 2.403 7.819 -9.141 1.00 0.00 H new ATOM 0 HE3 LYS A 456 1.866 6.833 -10.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 1.489 9.184 -10.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 0.005 8.363 -10.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 0.524 9.319 -9.527 1.00 0.00 H new ATOM 606 N VAL A 457 3.071 3.351 -5.801 1.00 0.00 N ATOM 607 CA VAL A 457 4.010 3.529 -4.650 1.00 0.00 C ATOM 608 C VAL A 457 5.123 4.505 -5.043 1.00 0.00 C ATOM 609 O VAL A 457 5.706 4.407 -6.105 1.00 0.00 O ATOM 610 CB VAL A 457 4.619 2.173 -4.283 1.00 0.00 C ATOM 611 CG1 VAL A 457 5.752 2.375 -3.275 1.00 0.00 C ATOM 612 CG2 VAL A 457 3.538 1.287 -3.662 1.00 0.00 C ATOM 0 H VAL A 457 3.506 3.008 -6.658 1.00 0.00 H new ATOM 0 HA VAL A 457 3.468 3.929 -3.793 1.00 0.00 H new ATOM 0 HB VAL A 457 5.015 1.697 -5.180 1.00 0.00 H new ATOM 0 HG11 VAL A 457 6.184 1.409 -3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 457 6.521 3.010 -3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 457 5.359 2.850 -2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 457 3.967 0.320 -3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 457 3.146 1.766 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 457 2.730 1.142 -4.379 1.00 0.00 H new ATOM 622 N ASN A 458 5.416 5.442 -4.185 1.00 0.00 N ATOM 623 CA ASN A 458 6.487 6.433 -4.481 1.00 0.00 C ATOM 624 C ASN A 458 6.168 7.163 -5.789 1.00 0.00 C ATOM 625 O ASN A 458 7.023 7.366 -6.627 1.00 0.00 O ATOM 626 CB ASN A 458 7.838 5.716 -4.585 1.00 0.00 C ATOM 627 CG ASN A 458 8.964 6.751 -4.572 1.00 0.00 C ATOM 628 OD1 ASN A 458 9.308 7.307 -5.596 1.00 0.00 O ATOM 629 ND2 ASN A 458 9.559 7.038 -3.444 1.00 0.00 N ATOM 0 H ASN A 458 4.955 5.564 -3.283 1.00 0.00 H new ATOM 0 HA ASN A 458 6.539 7.165 -3.675 1.00 0.00 H new ATOM 0 HB2 ASN A 458 7.958 5.021 -3.754 1.00 0.00 H new ATOM 0 HB3 ASN A 458 7.880 5.128 -5.502 1.00 0.00 H new ATOM 0 HD21 ASN A 458 10.310 7.728 -3.425 1.00 0.00 H new ATOM 0 HD22 ASN A 458 9.272 6.572 -2.583 1.00 0.00 H new ATOM 636 N HIS A 459 4.932 7.560 -5.955 1.00 0.00 N ATOM 637 CA HIS A 459 4.521 8.287 -7.191 1.00 0.00 C ATOM 638 C HIS A 459 4.870 7.459 -8.425 1.00 0.00 C ATOM 639 O HIS A 459 4.921 7.968 -9.528 1.00 0.00 O ATOM 640 CB HIS A 459 5.230 9.644 -7.260 1.00 0.00 C ATOM 641 CG HIS A 459 4.770 10.500 -6.114 1.00 0.00 C ATOM 642 ND1 HIS A 459 3.498 11.050 -6.067 1.00 0.00 N ATOM 643 CD2 HIS A 459 5.397 10.910 -4.963 1.00 0.00 C ATOM 644 CE1 HIS A 459 3.401 11.751 -4.923 1.00 0.00 C ATOM 645 NE2 HIS A 459 4.531 11.700 -4.212 1.00 0.00 N ATOM 0 H HIS A 459 4.183 7.409 -5.279 1.00 0.00 H new ATOM 0 HA HIS A 459 3.443 8.448 -7.163 1.00 0.00 H new ATOM 0 HB2 HIS A 459 6.310 9.506 -7.216 1.00 0.00 H new ATOM 0 HB3 HIS A 459 5.010 10.135 -8.208 1.00 0.00 H new ATOM 0 HD2 HIS A 459 6.409 10.658 -4.683 1.00 0.00 H new ATOM 0 HE1 HIS A 459 2.517 12.290 -4.616 1.00 0.00 H new ATOM 0 HE2 HIS A 459 4.719 12.144 -3.313 1.00 0.00 H new ATOM 653 N LYS A 460 5.111 6.182 -8.248 1.00 0.00 N ATOM 654 CA LYS A 460 5.462 5.300 -9.406 1.00 0.00 C ATOM 655 C LYS A 460 4.462 4.153 -9.508 1.00 0.00 C ATOM 656 O LYS A 460 4.007 3.614 -8.518 1.00 0.00 O ATOM 657 CB LYS A 460 6.871 4.742 -9.199 1.00 0.00 C ATOM 658 CG LYS A 460 7.901 5.881 -9.322 1.00 0.00 C ATOM 659 CD LYS A 460 8.295 6.089 -10.800 1.00 0.00 C ATOM 660 CE LYS A 460 9.468 5.173 -11.157 1.00 0.00 C ATOM 661 NZ LYS A 460 10.663 5.583 -10.370 1.00 0.00 N ATOM 0 H LYS A 460 5.079 5.710 -7.344 1.00 0.00 H new ATOM 0 HA LYS A 460 5.428 5.879 -10.329 1.00 0.00 H new ATOM 0 HB2 LYS A 460 6.947 4.274 -8.218 1.00 0.00 H new ATOM 0 HB3 LYS A 460 7.079 3.969 -9.938 1.00 0.00 H new ATOM 0 HG2 LYS A 460 7.484 6.803 -8.916 1.00 0.00 H new ATOM 0 HG3 LYS A 460 8.787 5.645 -8.732 1.00 0.00 H new ATOM 0 HD2 LYS A 460 7.444 5.874 -11.447 1.00 0.00 H new ATOM 0 HD3 LYS A 460 8.570 7.130 -10.970 1.00 0.00 H new ATOM 0 HE2 LYS A 460 9.214 4.135 -10.942 1.00 0.00 H new ATOM 0 HE3 LYS A 460 9.681 5.234 -12.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 11.524 5.399 -10.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 10.603 6.598 -10.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 10.699 5.039 -9.484 1.00 0.00 H new ATOM 675 N LEU A 461 4.116 3.785 -10.706 1.00 0.00 N ATOM 676 CA LEU A 461 3.140 2.681 -10.900 1.00 0.00 C ATOM 677 C LEU A 461 3.786 1.346 -10.535 1.00 0.00 C ATOM 678 O LEU A 461 4.886 1.042 -10.949 1.00 0.00 O ATOM 679 CB LEU A 461 2.695 2.658 -12.368 1.00 0.00 C ATOM 680 CG LEU A 461 1.760 1.467 -12.626 1.00 0.00 C ATOM 681 CD1 LEU A 461 0.565 1.512 -11.660 1.00 0.00 C ATOM 682 CD2 LEU A 461 1.258 1.531 -14.072 1.00 0.00 C ATOM 0 H LEU A 461 4.470 4.204 -11.566 1.00 0.00 H new ATOM 0 HA LEU A 461 2.275 2.841 -10.256 1.00 0.00 H new ATOM 0 HB2 LEU A 461 2.185 3.589 -12.614 1.00 0.00 H new ATOM 0 HB3 LEU A 461 3.567 2.591 -13.018 1.00 0.00 H new ATOM 0 HG LEU A 461 2.305 0.537 -12.464 1.00 0.00 H new ATOM 0 HD11 LEU A 461 -0.091 0.663 -11.853 1.00 0.00 H new ATOM 0 HD12 LEU A 461 0.926 1.466 -10.632 1.00 0.00 H new ATOM 0 HD13 LEU A 461 0.011 2.439 -11.809 1.00 0.00 H new ATOM 0 HD21 LEU A 461 0.593 0.689 -14.264 1.00 0.00 H new ATOM 0 HD22 LEU A 461 0.716 2.464 -14.228 1.00 0.00 H new ATOM 0 HD23 LEU A 461 2.107 1.486 -14.754 1.00 0.00 H new ATOM 694 N VAL A 462 3.102 0.540 -9.764 1.00 0.00 N ATOM 695 CA VAL A 462 3.660 -0.787 -9.372 1.00 0.00 C ATOM 696 C VAL A 462 2.520 -1.816 -9.321 1.00 0.00 C ATOM 697 O VAL A 462 1.386 -1.471 -9.049 1.00 0.00 O ATOM 698 CB VAL A 462 4.317 -0.677 -7.994 1.00 0.00 C ATOM 699 CG1 VAL A 462 5.654 0.056 -8.130 1.00 0.00 C ATOM 700 CG2 VAL A 462 3.397 0.104 -7.048 1.00 0.00 C ATOM 0 H VAL A 462 2.177 0.746 -9.388 1.00 0.00 H new ATOM 0 HA VAL A 462 4.406 -1.104 -10.101 1.00 0.00 H new ATOM 0 HB VAL A 462 4.487 -1.675 -7.589 1.00 0.00 H new ATOM 0 HG11 VAL A 462 6.126 0.137 -7.151 1.00 0.00 H new ATOM 0 HG12 VAL A 462 6.307 -0.500 -8.803 1.00 0.00 H new ATOM 0 HG13 VAL A 462 5.482 1.054 -8.534 1.00 0.00 H new ATOM 0 HG21 VAL A 462 3.866 0.182 -6.067 1.00 0.00 H new ATOM 0 HG22 VAL A 462 3.226 1.103 -7.449 1.00 0.00 H new ATOM 0 HG23 VAL A 462 2.444 -0.417 -6.955 1.00 0.00 H new ATOM 710 N PRO A 463 2.808 -3.069 -9.587 1.00 0.00 N ATOM 711 CA PRO A 463 1.778 -4.153 -9.569 1.00 0.00 C ATOM 712 C PRO A 463 1.235 -4.439 -8.163 1.00 0.00 C ATOM 713 O PRO A 463 1.830 -4.082 -7.165 1.00 0.00 O ATOM 714 CB PRO A 463 2.520 -5.379 -10.134 1.00 0.00 C ATOM 715 CG PRO A 463 3.970 -5.113 -9.874 1.00 0.00 C ATOM 716 CD PRO A 463 4.142 -3.594 -9.936 1.00 0.00 C ATOM 0 HA PRO A 463 0.898 -3.875 -10.149 1.00 0.00 H new ATOM 0 HB2 PRO A 463 2.194 -6.297 -9.645 1.00 0.00 H new ATOM 0 HB3 PRO A 463 2.327 -5.500 -11.200 1.00 0.00 H new ATOM 0 HG2 PRO A 463 4.268 -5.499 -8.899 1.00 0.00 H new ATOM 0 HG3 PRO A 463 4.596 -5.607 -10.617 1.00 0.00 H new ATOM 0 HD2 PRO A 463 4.902 -3.250 -9.235 1.00 0.00 H new ATOM 0 HD3 PRO A 463 4.452 -3.268 -10.929 1.00 0.00 H new ATOM 724 N LEU A 464 0.106 -5.089 -8.093 1.00 0.00 N ATOM 725 CA LEU A 464 -0.501 -5.421 -6.774 1.00 0.00 C ATOM 726 C LEU A 464 0.437 -6.362 -6.015 1.00 0.00 C ATOM 727 O LEU A 464 0.597 -6.265 -4.814 1.00 0.00 O ATOM 728 CB LEU A 464 -1.851 -6.116 -7.002 1.00 0.00 C ATOM 729 CG LEU A 464 -2.929 -5.070 -7.304 1.00 0.00 C ATOM 730 CD1 LEU A 464 -2.596 -4.352 -8.615 1.00 0.00 C ATOM 731 CD2 LEU A 464 -4.288 -5.764 -7.438 1.00 0.00 C ATOM 0 H LEU A 464 -0.427 -5.407 -8.902 1.00 0.00 H new ATOM 0 HA LEU A 464 -0.653 -4.511 -6.194 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -1.773 -6.820 -7.830 1.00 0.00 H new ATOM 0 HB3 LEU A 464 -2.128 -6.692 -6.119 1.00 0.00 H new ATOM 0 HG LEU A 464 -2.966 -4.344 -6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 464 -3.364 -3.608 -8.828 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -1.628 -3.858 -8.524 1.00 0.00 H new ATOM 0 HD13 LEU A 464 -2.558 -5.077 -9.428 1.00 0.00 H new ATOM 0 HD21 LEU A 464 -5.056 -5.021 -7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 464 -4.247 -6.490 -8.250 1.00 0.00 H new ATOM 0 HD23 LEU A 464 -4.529 -6.276 -6.506 1.00 0.00 H new ATOM 743 N SER A 465 1.054 -7.276 -6.710 1.00 0.00 N ATOM 744 CA SER A 465 1.977 -8.231 -6.040 1.00 0.00 C ATOM 745 C SER A 465 3.284 -7.509 -5.697 1.00 0.00 C ATOM 746 O SER A 465 4.253 -8.115 -5.286 1.00 0.00 O ATOM 747 CB SER A 465 2.265 -9.394 -6.991 1.00 0.00 C ATOM 748 OG SER A 465 1.052 -10.087 -7.263 1.00 0.00 O ATOM 0 H SER A 465 0.958 -7.402 -7.718 1.00 0.00 H new ATOM 0 HA SER A 465 1.523 -8.612 -5.125 1.00 0.00 H new ATOM 0 HB2 SER A 465 2.701 -9.022 -7.918 1.00 0.00 H new ATOM 0 HB3 SER A 465 2.993 -10.072 -6.546 1.00 0.00 H new ATOM 0 HG SER A 465 1.231 -10.832 -7.874 1.00 0.00 H new ATOM 754 N TYR A 466 3.310 -6.215 -5.864 1.00 0.00 N ATOM 755 CA TYR A 466 4.544 -5.439 -5.552 1.00 0.00 C ATOM 756 C TYR A 466 4.807 -5.461 -4.044 1.00 0.00 C ATOM 757 O TYR A 466 3.915 -5.261 -3.243 1.00 0.00 O ATOM 758 CB TYR A 466 4.357 -3.994 -6.019 1.00 0.00 C ATOM 759 CG TYR A 466 5.584 -3.183 -5.676 1.00 0.00 C ATOM 760 CD1 TYR A 466 6.742 -3.303 -6.453 1.00 0.00 C ATOM 761 CD2 TYR A 466 5.564 -2.307 -4.583 1.00 0.00 C ATOM 762 CE1 TYR A 466 7.879 -2.548 -6.139 1.00 0.00 C ATOM 763 CE2 TYR A 466 6.701 -1.554 -4.268 1.00 0.00 C ATOM 764 CZ TYR A 466 7.859 -1.674 -5.046 1.00 0.00 C ATOM 765 OH TYR A 466 8.979 -0.931 -4.736 1.00 0.00 O ATOM 0 H TYR A 466 2.526 -5.659 -6.205 1.00 0.00 H new ATOM 0 HA TYR A 466 5.395 -5.887 -6.066 1.00 0.00 H new ATOM 0 HB2 TYR A 466 4.183 -3.969 -7.095 1.00 0.00 H new ATOM 0 HB3 TYR A 466 3.478 -3.559 -5.543 1.00 0.00 H new ATOM 0 HD1 TYR A 466 6.759 -3.978 -7.296 1.00 0.00 H new ATOM 0 HD2 TYR A 466 4.671 -2.213 -3.983 1.00 0.00 H new ATOM 0 HE1 TYR A 466 8.771 -2.640 -6.740 1.00 0.00 H new ATOM 0 HE2 TYR A 466 6.685 -0.880 -3.424 1.00 0.00 H new ATOM 0 HH TYR A 466 8.796 -0.375 -3.950 1.00 0.00 H new ATOM 775 N VAL A 467 6.028 -5.707 -3.653 1.00 0.00 N ATOM 776 CA VAL A 467 6.358 -5.750 -2.200 1.00 0.00 C ATOM 777 C VAL A 467 6.498 -4.325 -1.656 1.00 0.00 C ATOM 778 O VAL A 467 7.153 -3.483 -2.237 1.00 0.00 O ATOM 779 CB VAL A 467 7.666 -6.518 -2.007 1.00 0.00 C ATOM 780 CG1 VAL A 467 8.102 -6.435 -0.544 1.00 0.00 C ATOM 781 CG2 VAL A 467 7.444 -7.982 -2.391 1.00 0.00 C ATOM 0 H VAL A 467 6.814 -5.881 -4.280 1.00 0.00 H new ATOM 0 HA VAL A 467 5.559 -6.253 -1.656 1.00 0.00 H new ATOM 0 HB VAL A 467 8.443 -6.083 -2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 467 9.034 -6.984 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 467 8.252 -5.391 -0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 467 7.331 -6.871 0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 467 8.372 -8.538 -2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 467 6.669 -8.411 -1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 467 7.133 -8.041 -3.434 1.00 0.00 H new ATOM 791 N LEU A 468 5.868 -4.049 -0.547 1.00 0.00 N ATOM 792 CA LEU A 468 5.933 -2.682 0.045 1.00 0.00 C ATOM 793 C LEU A 468 7.293 -2.444 0.704 1.00 0.00 C ATOM 794 O LEU A 468 7.912 -3.350 1.223 1.00 0.00 O ATOM 795 CB LEU A 468 4.830 -2.547 1.096 1.00 0.00 C ATOM 796 CG LEU A 468 3.467 -2.827 0.451 1.00 0.00 C ATOM 797 CD1 LEU A 468 2.375 -2.741 1.520 1.00 0.00 C ATOM 798 CD2 LEU A 468 3.188 -1.798 -0.660 1.00 0.00 C ATOM 0 H LEU A 468 5.306 -4.718 -0.021 1.00 0.00 H new ATOM 0 HA LEU A 468 5.797 -1.944 -0.746 1.00 0.00 H new ATOM 0 HB2 LEU A 468 5.006 -3.245 1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 468 4.842 -1.544 1.524 1.00 0.00 H new ATOM 0 HG LEU A 468 3.474 -3.825 0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 468 1.404 -2.939 1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 468 2.569 -3.479 2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 468 2.373 -1.743 1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 468 2.218 -2.005 -1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 468 3.183 -0.795 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 468 3.965 -1.865 -1.421 1.00 0.00 H new ATOM 810 N ASN A 469 7.754 -1.214 0.685 1.00 0.00 N ATOM 811 CA ASN A 469 9.073 -0.868 1.306 1.00 0.00 C ATOM 812 C ASN A 469 8.873 0.238 2.344 1.00 0.00 C ATOM 813 O ASN A 469 8.037 1.107 2.194 1.00 0.00 O ATOM 814 CB ASN A 469 10.033 -0.386 0.220 1.00 0.00 C ATOM 815 CG ASN A 469 10.478 -1.581 -0.624 1.00 0.00 C ATOM 816 OD1 ASN A 469 10.341 -2.716 -0.211 1.00 0.00 O ATOM 817 ND2 ASN A 469 11.010 -1.374 -1.797 1.00 0.00 N ATOM 0 H ASN A 469 7.265 -0.426 0.260 1.00 0.00 H new ATOM 0 HA ASN A 469 9.490 -1.749 1.794 1.00 0.00 H new ATOM 0 HB2 ASN A 469 9.545 0.358 -0.410 1.00 0.00 H new ATOM 0 HB3 ASN A 469 10.899 0.098 0.672 1.00 0.00 H new ATOM 0 HD21 ASN A 469 11.311 -2.164 -2.367 1.00 0.00 H new ATOM 0 HD22 ASN A 469 11.125 -0.422 -2.144 1.00 0.00 H new ATOM 824 N SER A 470 9.629 0.194 3.404 1.00 0.00 N ATOM 825 CA SER A 470 9.495 1.215 4.482 1.00 0.00 C ATOM 826 C SER A 470 9.916 2.603 3.987 1.00 0.00 C ATOM 827 O SER A 470 10.832 2.748 3.200 1.00 0.00 O ATOM 828 CB SER A 470 10.382 0.805 5.657 1.00 0.00 C ATOM 829 OG SER A 470 9.756 -0.258 6.361 1.00 0.00 O ATOM 0 H SER A 470 10.343 -0.514 3.572 1.00 0.00 H new ATOM 0 HA SER A 470 8.450 1.268 4.788 1.00 0.00 H new ATOM 0 HB2 SER A 470 11.362 0.492 5.297 1.00 0.00 H new ATOM 0 HB3 SER A 470 10.542 1.654 6.322 1.00 0.00 H new ATOM 0 HG SER A 470 10.320 -0.528 7.116 1.00 0.00 H new ATOM 835 N GLY A 471 9.250 3.626 4.461 1.00 0.00 N ATOM 836 CA GLY A 471 9.592 5.019 4.051 1.00 0.00 C ATOM 837 C GLY A 471 8.801 5.398 2.801 1.00 0.00 C ATOM 838 O GLY A 471 8.477 6.548 2.582 1.00 0.00 O ATOM 0 H GLY A 471 8.476 3.553 5.121 1.00 0.00 H new ATOM 0 HA2 GLY A 471 9.365 5.713 4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 471 10.661 5.098 3.854 1.00 0.00 H new ATOM 842 N ASP A 472 8.495 4.439 1.975 1.00 0.00 N ATOM 843 CA ASP A 472 7.734 4.736 0.727 1.00 0.00 C ATOM 844 C ASP A 472 6.261 5.002 1.040 1.00 0.00 C ATOM 845 O ASP A 472 5.719 4.519 2.013 1.00 0.00 O ATOM 846 CB ASP A 472 7.844 3.548 -0.227 1.00 0.00 C ATOM 847 CG ASP A 472 9.257 3.494 -0.811 1.00 0.00 C ATOM 848 OD1 ASP A 472 9.973 4.473 -0.674 1.00 0.00 O ATOM 849 OD2 ASP A 472 9.599 2.476 -1.388 1.00 0.00 O ATOM 0 H ASP A 472 8.739 3.458 2.109 1.00 0.00 H new ATOM 0 HA ASP A 472 8.157 5.628 0.264 1.00 0.00 H new ATOM 0 HB2 ASP A 472 7.622 2.621 0.302 1.00 0.00 H new ATOM 0 HB3 ASP A 472 7.111 3.642 -1.028 1.00 0.00 H new ATOM 854 N GLN A 473 5.610 5.765 0.203 1.00 0.00 N ATOM 855 CA GLN A 473 4.166 6.075 0.417 1.00 0.00 C ATOM 856 C GLN A 473 3.329 5.140 -0.452 1.00 0.00 C ATOM 857 O GLN A 473 3.562 5.003 -1.635 1.00 0.00 O ATOM 858 CB GLN A 473 3.896 7.524 0.013 1.00 0.00 C ATOM 859 CG GLN A 473 2.416 7.843 0.216 1.00 0.00 C ATOM 860 CD GLN A 473 2.180 9.337 -0.005 1.00 0.00 C ATOM 861 OE1 GLN A 473 3.108 10.120 0.011 1.00 0.00 O ATOM 862 NE2 GLN A 473 0.966 9.767 -0.212 1.00 0.00 N ATOM 0 H GLN A 473 6.021 6.191 -0.628 1.00 0.00 H new ATOM 0 HA GLN A 473 3.905 5.938 1.466 1.00 0.00 H new ATOM 0 HB2 GLN A 473 4.509 8.199 0.610 1.00 0.00 H new ATOM 0 HB3 GLN A 473 4.173 7.679 -1.030 1.00 0.00 H new ATOM 0 HG2 GLN A 473 1.809 7.262 -0.479 1.00 0.00 H new ATOM 0 HG3 GLN A 473 2.107 7.560 1.222 1.00 0.00 H new ATOM 0 HE21 GLN A 473 0.187 9.109 -0.225 1.00 0.00 H new ATOM 0 HE22 GLN A 473 0.796 10.762 -0.361 1.00 0.00 H new ATOM 871 N VAL A 474 2.360 4.484 0.133 1.00 0.00 N ATOM 872 CA VAL A 474 1.507 3.536 -0.643 1.00 0.00 C ATOM 873 C VAL A 474 0.137 4.160 -0.893 1.00 0.00 C ATOM 874 O VAL A 474 -0.499 4.669 0.008 1.00 0.00 O ATOM 875 CB VAL A 474 1.334 2.249 0.161 1.00 0.00 C ATOM 876 CG1 VAL A 474 0.559 1.227 -0.672 1.00 0.00 C ATOM 877 CG2 VAL A 474 2.712 1.685 0.512 1.00 0.00 C ATOM 0 H VAL A 474 2.122 4.565 1.122 1.00 0.00 H new ATOM 0 HA VAL A 474 1.983 3.318 -1.599 1.00 0.00 H new ATOM 0 HB VAL A 474 0.782 2.460 1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 474 0.436 0.308 -0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 474 -0.421 1.632 -0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 474 1.109 1.011 -1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 474 2.594 0.766 1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 474 3.262 1.472 -0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 474 3.264 2.415 1.105 1.00 0.00 H new ATOM 887 N GLU A 475 -0.320 4.117 -2.116 1.00 0.00 N ATOM 888 CA GLU A 475 -1.654 4.696 -2.455 1.00 0.00 C ATOM 889 C GLU A 475 -2.396 3.720 -3.366 1.00 0.00 C ATOM 890 O GLU A 475 -1.800 3.054 -4.189 1.00 0.00 O ATOM 891 CB GLU A 475 -1.463 6.030 -3.179 1.00 0.00 C ATOM 892 CG GLU A 475 -2.831 6.641 -3.486 1.00 0.00 C ATOM 893 CD GLU A 475 -2.648 8.012 -4.135 1.00 0.00 C ATOM 894 OE1 GLU A 475 -1.531 8.319 -4.520 1.00 0.00 O ATOM 895 OE2 GLU A 475 -3.627 8.733 -4.235 1.00 0.00 O ATOM 0 H GLU A 475 0.179 3.701 -2.903 1.00 0.00 H new ATOM 0 HA GLU A 475 -2.229 4.863 -1.544 1.00 0.00 H new ATOM 0 HB2 GLU A 475 -0.878 6.711 -2.561 1.00 0.00 H new ATOM 0 HB3 GLU A 475 -0.904 5.879 -4.103 1.00 0.00 H new ATOM 0 HG2 GLU A 475 -3.392 5.985 -4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 475 -3.412 6.737 -2.568 1.00 0.00 H new ATOM 902 N VAL A 476 -3.692 3.626 -3.217 1.00 0.00 N ATOM 903 CA VAL A 476 -4.496 2.685 -4.060 1.00 0.00 C ATOM 904 C VAL A 476 -5.357 3.479 -5.041 1.00 0.00 C ATOM 905 O VAL A 476 -6.025 4.426 -4.678 1.00 0.00 O ATOM 906 CB VAL A 476 -5.391 1.834 -3.158 1.00 0.00 C ATOM 907 CG1 VAL A 476 -4.524 0.823 -2.408 1.00 0.00 C ATOM 908 CG2 VAL A 476 -6.119 2.726 -2.146 1.00 0.00 C ATOM 0 H VAL A 476 -4.234 4.165 -2.542 1.00 0.00 H new ATOM 0 HA VAL A 476 -3.824 2.035 -4.621 1.00 0.00 H new ATOM 0 HB VAL A 476 -6.129 1.314 -3.769 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.154 0.212 -1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -4.009 0.183 -3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -3.789 1.353 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -6.754 2.110 -1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -5.388 3.251 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -6.734 3.452 -2.677 1.00 0.00 H new ATOM 918 N LEU A 477 -5.341 3.094 -6.290 1.00 0.00 N ATOM 919 CA LEU A 477 -6.149 3.815 -7.317 1.00 0.00 C ATOM 920 C LEU A 477 -7.484 3.100 -7.498 1.00 0.00 C ATOM 921 O LEU A 477 -7.535 1.901 -7.686 1.00 0.00 O ATOM 922 CB LEU A 477 -5.385 3.813 -8.642 1.00 0.00 C ATOM 923 CG LEU A 477 -4.007 4.457 -8.446 1.00 0.00 C ATOM 924 CD1 LEU A 477 -3.231 4.406 -9.766 1.00 0.00 C ATOM 925 CD2 LEU A 477 -4.167 5.919 -7.997 1.00 0.00 C ATOM 0 H LEU A 477 -4.799 2.306 -6.645 1.00 0.00 H new ATOM 0 HA LEU A 477 -6.327 4.842 -6.997 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -5.271 2.792 -9.006 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -5.948 4.360 -9.398 1.00 0.00 H new ATOM 0 HG LEU A 477 -3.461 3.909 -7.678 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -2.251 4.863 -9.630 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -3.107 3.368 -10.076 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -3.782 4.950 -10.533 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -3.183 6.367 -7.861 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -4.717 6.475 -8.757 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -4.715 5.953 -7.055 1.00 0.00 H new ATOM 937 N SER A 478 -8.569 3.832 -7.437 1.00 0.00 N ATOM 938 CA SER A 478 -9.919 3.210 -7.599 1.00 0.00 C ATOM 939 C SER A 478 -10.756 4.050 -8.562 1.00 0.00 C ATOM 940 O SER A 478 -10.916 5.243 -8.391 1.00 0.00 O ATOM 941 CB SER A 478 -10.611 3.150 -6.238 1.00 0.00 C ATOM 942 OG SER A 478 -9.861 2.314 -5.367 1.00 0.00 O ATOM 0 H SER A 478 -8.577 4.840 -7.281 1.00 0.00 H new ATOM 0 HA SER A 478 -9.812 2.202 -8.000 1.00 0.00 H new ATOM 0 HB2 SER A 478 -10.696 4.151 -5.816 1.00 0.00 H new ATOM 0 HB3 SER A 478 -11.624 2.764 -6.349 1.00 0.00 H new ATOM 0 HG SER A 478 -10.419 1.565 -5.072 1.00 0.00 H new