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 Set 1.1: A 466 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 469 ASN : amide:sc= -0.066 K(o=-0.066,f=-2!) USER MOD Single : A 420 MET CE :methyl -138:sc= -0.327 (180deg=-1.96!) USER MOD Single : A 423 THR OG1 : rot 180:sc= 0.318 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= -0.167 K(o=-0.17,f=-0.93) USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 442 TYR OH : rot 180:sc= 0 USER MOD Single : A 443 SER OG : rot 73:sc= 0.0679 USER MOD Single : A 445 HIS : no HD1:sc= -3.74! C(o=-3.7!,f=-1.3!) USER MOD Single : A 446 SER OG : rot 180:sc= 0 USER MOD Single : A 451 HIS : no HE2:sc= 1.17 K(o=1.2,f=-4.3!) USER MOD Single : A 452 CYS SG : rot -91:sc= -0.858! USER MOD Single : A 456 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.1!) USER MOD Single : A 459 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 460 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 465 SER OG : rot 180:sc= 0 USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 473 GLN : amide:sc= -0.0347 K(o=-0.035,f=-1.7!) USER MOD Single : A 478 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 418 8.237 -5.881 10.799 1.00 0.00 N ATOM 19 CA GLU A 418 7.070 -5.290 10.071 1.00 0.00 C ATOM 20 C GLU A 418 7.545 -4.083 9.262 1.00 0.00 C ATOM 21 O GLU A 418 8.578 -3.509 9.542 1.00 0.00 O ATOM 22 CB GLU A 418 6.014 -4.840 11.082 1.00 0.00 C ATOM 23 CG GLU A 418 5.388 -6.067 11.745 1.00 0.00 C ATOM 24 CD GLU A 418 4.388 -5.617 12.809 1.00 0.00 C ATOM 25 OE1 GLU A 418 4.226 -4.418 12.973 1.00 0.00 O ATOM 26 OE2 GLU A 418 3.801 -6.477 13.445 1.00 0.00 O ATOM 0 HA GLU A 418 6.638 -6.035 9.403 1.00 0.00 H new ATOM 0 HB2 GLU A 418 6.468 -4.198 11.837 1.00 0.00 H new ATOM 0 HB3 GLU A 418 5.245 -4.251 10.583 1.00 0.00 H new ATOM 0 HG2 GLU A 418 4.887 -6.682 10.997 1.00 0.00 H new ATOM 0 HG3 GLU A 418 6.164 -6.684 12.198 1.00 0.00 H new ATOM 33 N VAL A 419 6.798 -3.694 8.260 1.00 0.00 N ATOM 34 CA VAL A 419 7.193 -2.519 7.418 1.00 0.00 C ATOM 35 C VAL A 419 6.165 -1.407 7.605 1.00 0.00 C ATOM 36 O VAL A 419 4.973 -1.628 7.534 1.00 0.00 O ATOM 37 CB VAL A 419 7.246 -2.936 5.947 1.00 0.00 C ATOM 38 CG1 VAL A 419 8.424 -3.889 5.742 1.00 0.00 C ATOM 39 CG2 VAL A 419 5.945 -3.643 5.553 1.00 0.00 C ATOM 0 H VAL A 419 5.924 -4.142 7.985 1.00 0.00 H new ATOM 0 HA VAL A 419 8.177 -2.161 7.720 1.00 0.00 H new ATOM 0 HB VAL A 419 7.370 -2.050 5.325 1.00 0.00 H new ATOM 0 HG11 VAL A 419 8.469 -4.192 4.696 1.00 0.00 H new ATOM 0 HG12 VAL A 419 9.351 -3.385 6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 419 8.292 -4.771 6.369 1.00 0.00 H new ATOM 0 HG21 VAL A 419 5.993 -3.936 4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 419 5.811 -4.530 6.172 1.00 0.00 H new ATOM 0 HG23 VAL A 419 5.104 -2.966 5.703 1.00 0.00 H new ATOM 49 N MET A 420 6.623 -0.213 7.863 1.00 0.00 N ATOM 50 CA MET A 420 5.686 0.927 8.079 1.00 0.00 C ATOM 51 C MET A 420 5.441 1.652 6.758 1.00 0.00 C ATOM 52 O MET A 420 6.350 1.879 5.985 1.00 0.00 O ATOM 53 CB MET A 420 6.308 1.902 9.082 1.00 0.00 C ATOM 54 CG MET A 420 5.320 3.029 9.388 1.00 0.00 C ATOM 55 SD MET A 420 6.060 4.167 10.588 1.00 0.00 S ATOM 56 CE MET A 420 6.131 3.023 11.989 1.00 0.00 C ATOM 0 H MET A 420 7.613 0.024 7.934 1.00 0.00 H new ATOM 0 HA MET A 420 4.738 0.550 8.464 1.00 0.00 H new ATOM 0 HB2 MET A 420 6.570 1.376 10.000 1.00 0.00 H new ATOM 0 HB3 MET A 420 7.232 2.315 8.677 1.00 0.00 H new ATOM 0 HG2 MET A 420 5.065 3.563 8.473 1.00 0.00 H new ATOM 0 HG3 MET A 420 4.392 2.617 9.785 1.00 0.00 H new ATOM 0 HE1 MET A 420 5.828 3.542 12.898 1.00 0.00 H new ATOM 0 HE2 MET A 420 5.458 2.185 11.809 1.00 0.00 H new ATOM 0 HE3 MET A 420 7.149 2.652 12.105 1.00 0.00 H new ATOM 66 N VAL A 421 4.215 2.028 6.504 1.00 0.00 N ATOM 67 CA VAL A 421 3.880 2.757 5.242 1.00 0.00 C ATOM 68 C VAL A 421 3.040 3.979 5.595 1.00 0.00 C ATOM 69 O VAL A 421 2.510 4.085 6.687 1.00 0.00 O ATOM 70 CB VAL A 421 3.092 1.844 4.305 1.00 0.00 C ATOM 71 CG1 VAL A 421 3.966 0.657 3.900 1.00 0.00 C ATOM 72 CG2 VAL A 421 1.837 1.337 5.020 1.00 0.00 C ATOM 0 H VAL A 421 3.422 1.860 7.123 1.00 0.00 H new ATOM 0 HA VAL A 421 4.797 3.065 4.740 1.00 0.00 H new ATOM 0 HB VAL A 421 2.800 2.401 3.415 1.00 0.00 H new ATOM 0 HG11 VAL A 421 3.405 0.004 3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 421 4.858 1.020 3.390 1.00 0.00 H new ATOM 0 HG13 VAL A 421 4.258 0.100 4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 421 1.275 0.686 4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 421 2.126 0.780 5.911 1.00 0.00 H new ATOM 0 HG23 VAL A 421 1.215 2.184 5.308 1.00 0.00 H new ATOM 82 N PHE A 422 2.922 4.905 4.680 1.00 0.00 N ATOM 83 CA PHE A 422 2.130 6.145 4.939 1.00 0.00 C ATOM 84 C PHE A 422 0.983 6.218 3.941 1.00 0.00 C ATOM 85 O PHE A 422 1.145 5.940 2.770 1.00 0.00 O ATOM 86 CB PHE A 422 3.040 7.357 4.753 1.00 0.00 C ATOM 87 CG PHE A 422 4.194 7.254 5.718 1.00 0.00 C ATOM 88 CD1 PHE A 422 4.089 7.809 6.997 1.00 0.00 C ATOM 89 CD2 PHE A 422 5.369 6.599 5.332 1.00 0.00 C ATOM 90 CE1 PHE A 422 5.160 7.710 7.892 1.00 0.00 C ATOM 91 CE2 PHE A 422 6.439 6.498 6.226 1.00 0.00 C ATOM 92 CZ PHE A 422 6.335 7.053 7.506 1.00 0.00 C ATOM 0 H PHE A 422 3.345 4.855 3.753 1.00 0.00 H new ATOM 0 HA PHE A 422 1.732 6.133 5.954 1.00 0.00 H new ATOM 0 HB2 PHE A 422 3.408 7.398 3.728 1.00 0.00 H new ATOM 0 HB3 PHE A 422 2.483 8.277 4.929 1.00 0.00 H new ATOM 0 HD1 PHE A 422 3.182 8.314 7.294 1.00 0.00 H new ATOM 0 HD2 PHE A 422 5.449 6.172 4.343 1.00 0.00 H new ATOM 0 HE1 PHE A 422 5.081 8.140 8.880 1.00 0.00 H new ATOM 0 HE2 PHE A 422 7.345 5.992 5.929 1.00 0.00 H new ATOM 0 HZ PHE A 422 7.161 6.975 8.197 1.00 0.00 H new ATOM 102 N THR A 423 -0.181 6.585 4.401 1.00 0.00 N ATOM 103 CA THR A 423 -1.364 6.675 3.496 1.00 0.00 C ATOM 104 C THR A 423 -1.562 8.142 3.090 1.00 0.00 C ATOM 105 O THR A 423 -0.923 9.023 3.633 1.00 0.00 O ATOM 106 CB THR A 423 -2.616 6.164 4.242 1.00 0.00 C ATOM 107 OG1 THR A 423 -3.387 7.269 4.697 1.00 0.00 O ATOM 108 CG2 THR A 423 -2.200 5.311 5.448 1.00 0.00 C ATOM 0 H THR A 423 -0.366 6.829 5.374 1.00 0.00 H new ATOM 0 HA THR A 423 -1.206 6.066 2.606 1.00 0.00 H new ATOM 0 HB THR A 423 -3.209 5.557 3.558 1.00 0.00 H new ATOM 0 HG1 THR A 423 -4.181 6.942 5.168 1.00 0.00 H new ATOM 0 HG21 THR A 423 -3.090 4.956 5.967 1.00 0.00 H new ATOM 0 HG22 THR A 423 -1.615 4.458 5.105 1.00 0.00 H new ATOM 0 HG23 THR A 423 -1.599 5.913 6.129 1.00 0.00 H new ATOM 116 N PRO A 424 -2.449 8.418 2.159 1.00 0.00 N ATOM 117 CA PRO A 424 -2.722 9.819 1.718 1.00 0.00 C ATOM 118 C PRO A 424 -3.142 10.699 2.902 1.00 0.00 C ATOM 119 O PRO A 424 -2.916 11.895 2.919 1.00 0.00 O ATOM 120 CB PRO A 424 -3.879 9.683 0.708 1.00 0.00 C ATOM 121 CG PRO A 424 -3.847 8.256 0.254 1.00 0.00 C ATOM 122 CD PRO A 424 -3.280 7.444 1.422 1.00 0.00 C ATOM 0 HA PRO A 424 -1.840 10.293 1.286 1.00 0.00 H new ATOM 0 HB2 PRO A 424 -4.835 9.926 1.171 1.00 0.00 H new ATOM 0 HB3 PRO A 424 -3.749 10.365 -0.132 1.00 0.00 H new ATOM 0 HG2 PRO A 424 -4.846 7.910 -0.011 1.00 0.00 H new ATOM 0 HG3 PRO A 424 -3.225 8.145 -0.634 1.00 0.00 H new ATOM 0 HD2 PRO A 424 -4.074 7.039 2.050 1.00 0.00 H new ATOM 0 HD3 PRO A 424 -2.689 6.598 1.071 1.00 0.00 H new ATOM 130 N LYS A 425 -3.761 10.104 3.885 1.00 0.00 N ATOM 131 CA LYS A 425 -4.217 10.875 5.074 1.00 0.00 C ATOM 132 C LYS A 425 -3.042 11.080 6.036 1.00 0.00 C ATOM 133 O LYS A 425 -3.162 11.762 7.034 1.00 0.00 O ATOM 134 CB LYS A 425 -5.331 10.088 5.777 1.00 0.00 C ATOM 135 CG LYS A 425 -6.529 9.901 4.820 1.00 0.00 C ATOM 136 CD LYS A 425 -7.479 11.113 4.901 1.00 0.00 C ATOM 137 CE LYS A 425 -8.485 10.917 6.043 1.00 0.00 C ATOM 138 NZ LYS A 425 -9.412 12.084 6.097 1.00 0.00 N ATOM 0 H LYS A 425 -3.972 9.106 3.914 1.00 0.00 H new ATOM 0 HA LYS A 425 -4.594 11.849 4.762 1.00 0.00 H new ATOM 0 HB2 LYS A 425 -4.955 9.116 6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 425 -5.651 10.617 6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 425 -6.170 9.780 3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 425 -7.069 8.990 5.078 1.00 0.00 H new ATOM 0 HD2 LYS A 425 -6.905 12.025 5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 425 -8.008 11.234 3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 425 -9.050 9.997 5.890 1.00 0.00 H new ATOM 0 HE3 LYS A 425 -7.958 10.814 6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 425 -10.093 11.950 6.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 425 -8.866 12.954 6.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 425 -9.924 12.163 5.195 1.00 0.00 H new ATOM 152 N GLY A 426 -1.905 10.506 5.737 1.00 0.00 N ATOM 153 CA GLY A 426 -0.719 10.677 6.628 1.00 0.00 C ATOM 154 C GLY A 426 -0.798 9.705 7.806 1.00 0.00 C ATOM 155 O GLY A 426 -0.049 9.808 8.756 1.00 0.00 O ATOM 0 H GLY A 426 -1.747 9.926 4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 426 0.197 10.502 6.064 1.00 0.00 H new ATOM 0 HA3 GLY A 426 -0.676 11.702 6.995 1.00 0.00 H new ATOM 159 N GLU A 427 -1.702 8.764 7.756 1.00 0.00 N ATOM 160 CA GLU A 427 -1.829 7.792 8.883 1.00 0.00 C ATOM 161 C GLU A 427 -0.671 6.795 8.853 1.00 0.00 C ATOM 162 O GLU A 427 -0.059 6.565 7.828 1.00 0.00 O ATOM 163 CB GLU A 427 -3.156 7.039 8.760 1.00 0.00 C ATOM 164 CG GLU A 427 -4.322 8.009 8.962 1.00 0.00 C ATOM 165 CD GLU A 427 -4.310 8.533 10.399 1.00 0.00 C ATOM 166 OE1 GLU A 427 -3.691 7.896 11.235 1.00 0.00 O ATOM 167 OE2 GLU A 427 -4.917 9.564 10.638 1.00 0.00 O ATOM 0 H GLU A 427 -2.357 8.625 6.986 1.00 0.00 H new ATOM 0 HA GLU A 427 -1.802 8.337 9.827 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -3.228 6.568 7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -3.202 6.241 9.501 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -4.243 8.840 8.261 1.00 0.00 H new ATOM 0 HG3 GLU A 427 -5.267 7.506 8.755 1.00 0.00 H new ATOM 174 N ILE A 428 -0.368 6.203 9.980 1.00 0.00 N ATOM 175 CA ILE A 428 0.751 5.215 10.052 1.00 0.00 C ATOM 176 C ILE A 428 0.167 3.807 10.091 1.00 0.00 C ATOM 177 O ILE A 428 -0.656 3.490 10.929 1.00 0.00 O ATOM 178 CB ILE A 428 1.552 5.457 11.335 1.00 0.00 C ATOM 179 CG1 ILE A 428 1.960 6.935 11.418 1.00 0.00 C ATOM 180 CG2 ILE A 428 2.800 4.571 11.343 1.00 0.00 C ATOM 181 CD1 ILE A 428 2.664 7.368 10.128 1.00 0.00 C ATOM 0 H ILE A 428 -0.853 6.364 10.863 1.00 0.00 H new ATOM 0 HA ILE A 428 1.400 5.326 9.183 1.00 0.00 H new ATOM 0 HB ILE A 428 0.934 5.207 12.197 1.00 0.00 H new ATOM 0 HG12 ILE A 428 1.078 7.554 11.584 1.00 0.00 H new ATOM 0 HG13 ILE A 428 2.622 7.089 12.270 1.00 0.00 H new ATOM 0 HG21 ILE A 428 3.366 4.748 12.258 1.00 0.00 H new ATOM 0 HG22 ILE A 428 2.503 3.523 11.297 1.00 0.00 H new ATOM 0 HG23 ILE A 428 3.422 4.810 10.480 1.00 0.00 H new ATOM 0 HD11 ILE A 428 2.947 8.418 10.203 1.00 0.00 H new ATOM 0 HD12 ILE A 428 3.557 6.761 9.980 1.00 0.00 H new ATOM 0 HD13 ILE A 428 1.989 7.233 9.283 1.00 0.00 H new ATOM 193 N LYS A 429 0.583 2.960 9.185 1.00 0.00 N ATOM 194 CA LYS A 429 0.053 1.560 9.155 1.00 0.00 C ATOM 195 C LYS A 429 1.222 0.580 9.109 1.00 0.00 C ATOM 196 O LYS A 429 2.144 0.730 8.333 1.00 0.00 O ATOM 197 CB LYS A 429 -0.807 1.381 7.900 1.00 0.00 C ATOM 198 CG LYS A 429 -1.958 2.400 7.886 1.00 0.00 C ATOM 199 CD LYS A 429 -3.034 2.015 8.908 1.00 0.00 C ATOM 200 CE LYS A 429 -4.195 3.005 8.821 1.00 0.00 C ATOM 201 NZ LYS A 429 -5.248 2.609 9.796 1.00 0.00 N ATOM 0 H LYS A 429 1.269 3.177 8.462 1.00 0.00 H new ATOM 0 HA LYS A 429 -0.547 1.371 10.045 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -0.191 1.507 7.009 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -1.209 0.368 7.869 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -1.573 3.394 8.113 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -2.396 2.448 6.889 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -3.389 1.003 8.714 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -2.614 2.018 9.914 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -3.845 4.015 9.035 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -4.604 3.017 7.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -6.041 3.279 9.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -5.587 1.652 9.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -4.852 2.619 10.758 1.00 0.00 H new ATOM 215 N ARG A 430 1.179 -0.431 9.936 1.00 0.00 N ATOM 216 CA ARG A 430 2.271 -1.451 9.961 1.00 0.00 C ATOM 217 C ARG A 430 1.755 -2.741 9.337 1.00 0.00 C ATOM 218 O ARG A 430 0.659 -3.180 9.624 1.00 0.00 O ATOM 219 CB ARG A 430 2.682 -1.716 11.407 1.00 0.00 C ATOM 220 CG ARG A 430 3.402 -0.487 11.952 1.00 0.00 C ATOM 221 CD ARG A 430 3.812 -0.730 13.403 1.00 0.00 C ATOM 222 NE ARG A 430 4.519 0.474 13.915 1.00 0.00 N ATOM 223 CZ ARG A 430 5.213 0.402 15.015 1.00 0.00 C ATOM 224 NH1 ARG A 430 5.284 -0.724 15.671 1.00 0.00 N ATOM 225 NH2 ARG A 430 5.838 1.458 15.461 1.00 0.00 N ATOM 0 H ARG A 430 0.425 -0.596 10.603 1.00 0.00 H new ATOM 0 HA ARG A 430 3.132 -1.087 9.400 1.00 0.00 H new ATOM 0 HB2 ARG A 430 1.804 -1.938 12.013 1.00 0.00 H new ATOM 0 HB3 ARG A 430 3.334 -2.588 11.459 1.00 0.00 H new ATOM 0 HG2 ARG A 430 4.283 -0.272 11.347 1.00 0.00 H new ATOM 0 HG3 ARG A 430 2.751 0.385 11.889 1.00 0.00 H new ATOM 0 HD2 ARG A 430 2.933 -0.938 14.013 1.00 0.00 H new ATOM 0 HD3 ARG A 430 4.460 -1.604 13.470 1.00 0.00 H new ATOM 0 HE ARG A 430 4.461 1.356 13.405 1.00 0.00 H new ATOM 0 HH11 ARG A 430 4.796 -1.549 15.322 1.00 0.00 H new ATOM 0 HH12 ARG A 430 5.828 -0.779 16.532 1.00 0.00 H new ATOM 0 HH21 ARG A 430 5.782 2.338 14.948 1.00 0.00 H new ATOM 0 HH22 ARG A 430 6.382 1.403 16.322 1.00 0.00 H new ATOM 239 N LEU A 431 2.535 -3.352 8.481 1.00 0.00 N ATOM 240 CA LEU A 431 2.093 -4.623 7.826 1.00 0.00 C ATOM 241 C LEU A 431 3.211 -5.674 7.943 1.00 0.00 C ATOM 242 O LEU A 431 4.374 -5.330 8.020 1.00 0.00 O ATOM 243 CB LEU A 431 1.802 -4.345 6.348 1.00 0.00 C ATOM 244 CG LEU A 431 0.742 -3.240 6.224 1.00 0.00 C ATOM 245 CD1 LEU A 431 0.660 -2.782 4.766 1.00 0.00 C ATOM 246 CD2 LEU A 431 -0.632 -3.768 6.669 1.00 0.00 C ATOM 0 H LEU A 431 3.461 -3.025 8.206 1.00 0.00 H new ATOM 0 HA LEU A 431 1.194 -4.999 8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 431 2.717 -4.042 5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 431 1.451 -5.254 5.860 1.00 0.00 H new ATOM 0 HG LEU A 431 1.024 -2.403 6.863 1.00 0.00 H new ATOM 0 HD11 LEU A 431 -0.091 -1.998 4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 431 1.629 -2.396 4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 431 0.383 -3.626 4.134 1.00 0.00 H new ATOM 0 HD21 LEU A 431 -1.374 -2.975 6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 431 -0.920 -4.610 6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 431 -0.578 -4.094 7.708 1.00 0.00 H new ATOM 258 N PRO A 432 2.875 -6.950 7.939 1.00 0.00 N ATOM 259 CA PRO A 432 3.898 -8.040 8.030 1.00 0.00 C ATOM 260 C PRO A 432 5.048 -7.859 7.028 1.00 0.00 C ATOM 261 O PRO A 432 4.870 -7.343 5.943 1.00 0.00 O ATOM 262 CB PRO A 432 3.104 -9.314 7.703 1.00 0.00 C ATOM 263 CG PRO A 432 1.693 -9.006 8.083 1.00 0.00 C ATOM 264 CD PRO A 432 1.502 -7.501 7.875 1.00 0.00 C ATOM 0 HA PRO A 432 4.375 -8.057 9.010 1.00 0.00 H new ATOM 0 HB2 PRO A 432 3.181 -9.565 6.645 1.00 0.00 H new ATOM 0 HB3 PRO A 432 3.484 -10.169 8.262 1.00 0.00 H new ATOM 0 HG2 PRO A 432 0.994 -9.574 7.469 1.00 0.00 H new ATOM 0 HG3 PRO A 432 1.502 -9.281 9.120 1.00 0.00 H new ATOM 0 HD2 PRO A 432 1.031 -7.288 6.915 1.00 0.00 H new ATOM 0 HD3 PRO A 432 0.863 -7.070 8.646 1.00 0.00 H new ATOM 272 N GLN A 433 6.229 -8.275 7.405 1.00 0.00 N ATOM 273 CA GLN A 433 7.412 -8.129 6.510 1.00 0.00 C ATOM 274 C GLN A 433 7.128 -8.779 5.152 1.00 0.00 C ATOM 275 O GLN A 433 6.692 -9.910 5.071 1.00 0.00 O ATOM 276 CB GLN A 433 8.618 -8.816 7.169 1.00 0.00 C ATOM 277 CG GLN A 433 9.878 -8.596 6.326 1.00 0.00 C ATOM 278 CD GLN A 433 10.223 -7.105 6.303 1.00 0.00 C ATOM 279 OE1 GLN A 433 10.112 -6.428 7.307 1.00 0.00 O ATOM 280 NE2 GLN A 433 10.637 -6.561 5.192 1.00 0.00 N ATOM 0 H GLN A 433 6.425 -8.714 8.305 1.00 0.00 H new ATOM 0 HA GLN A 433 7.624 -7.071 6.354 1.00 0.00 H new ATOM 0 HB2 GLN A 433 8.769 -8.418 8.172 1.00 0.00 H new ATOM 0 HB3 GLN A 433 8.424 -9.883 7.275 1.00 0.00 H new ATOM 0 HG2 GLN A 433 10.710 -9.166 6.740 1.00 0.00 H new ATOM 0 HG3 GLN A 433 9.717 -8.959 5.311 1.00 0.00 H new ATOM 0 HE21 GLN A 433 10.730 -7.129 4.350 1.00 0.00 H new ATOM 0 HE22 GLN A 433 10.868 -5.568 5.165 1.00 0.00 H new ATOM 289 N GLY A 434 7.383 -8.066 4.084 1.00 0.00 N ATOM 290 CA GLY A 434 7.142 -8.632 2.725 1.00 0.00 C ATOM 291 C GLY A 434 5.674 -8.452 2.337 1.00 0.00 C ATOM 292 O GLY A 434 5.198 -9.040 1.386 1.00 0.00 O ATOM 0 H GLY A 434 7.749 -7.114 4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 434 7.783 -8.136 1.996 1.00 0.00 H new ATOM 0 HA3 GLY A 434 7.403 -9.690 2.711 1.00 0.00 H new ATOM 296 N ALA A 435 4.950 -7.645 3.067 1.00 0.00 N ATOM 297 CA ALA A 435 3.509 -7.430 2.741 1.00 0.00 C ATOM 298 C ALA A 435 3.361 -7.046 1.267 1.00 0.00 C ATOM 299 O ALA A 435 4.334 -6.824 0.574 1.00 0.00 O ATOM 300 CB ALA A 435 2.949 -6.309 3.619 1.00 0.00 C ATOM 0 H ALA A 435 5.294 -7.126 3.875 1.00 0.00 H new ATOM 0 HA ALA A 435 2.958 -8.351 2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 435 1.897 -6.152 3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 435 3.046 -6.586 4.669 1.00 0.00 H new ATOM 0 HB3 ALA A 435 3.504 -5.390 3.433 1.00 0.00 H new ATOM 306 N THR A 436 2.142 -6.972 0.784 1.00 0.00 N ATOM 307 CA THR A 436 1.898 -6.610 -0.651 1.00 0.00 C ATOM 308 C THR A 436 0.889 -5.461 -0.736 1.00 0.00 C ATOM 309 O THR A 436 0.287 -5.068 0.246 1.00 0.00 O ATOM 310 CB THR A 436 1.339 -7.823 -1.394 1.00 0.00 C ATOM 311 OG1 THR A 436 0.061 -8.153 -0.866 1.00 0.00 O ATOM 312 CG2 THR A 436 2.289 -9.007 -1.224 1.00 0.00 C ATOM 0 H THR A 436 1.298 -7.149 1.328 1.00 0.00 H new ATOM 0 HA THR A 436 2.839 -6.299 -1.104 1.00 0.00 H new ATOM 0 HB THR A 436 1.242 -7.589 -2.454 1.00 0.00 H new ATOM 0 HG1 THR A 436 -0.299 -8.930 -1.343 1.00 0.00 H new ATOM 0 HG21 THR A 436 1.890 -9.872 -1.754 1.00 0.00 H new ATOM 0 HG22 THR A 436 3.267 -8.750 -1.632 1.00 0.00 H new ATOM 0 HG23 THR A 436 2.389 -9.244 -0.165 1.00 0.00 H new ATOM 320 N ALA A 437 0.708 -4.923 -1.911 1.00 0.00 N ATOM 321 CA ALA A 437 -0.249 -3.797 -2.097 1.00 0.00 C ATOM 322 C ALA A 437 -1.658 -4.234 -1.694 1.00 0.00 C ATOM 323 O ALA A 437 -2.445 -3.444 -1.209 1.00 0.00 O ATOM 324 CB ALA A 437 -0.243 -3.380 -3.569 1.00 0.00 C ATOM 0 H ALA A 437 1.189 -5.220 -2.760 1.00 0.00 H new ATOM 0 HA ALA A 437 0.051 -2.957 -1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -0.941 -2.556 -3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 437 0.760 -3.062 -3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -0.544 -4.225 -4.188 1.00 0.00 H new ATOM 330 N LEU A 438 -1.987 -5.480 -1.897 1.00 0.00 N ATOM 331 CA LEU A 438 -3.349 -5.961 -1.532 1.00 0.00 C ATOM 332 C LEU A 438 -3.557 -5.816 -0.021 1.00 0.00 C ATOM 333 O LEU A 438 -4.606 -5.404 0.432 1.00 0.00 O ATOM 334 CB LEU A 438 -3.492 -7.435 -1.927 1.00 0.00 C ATOM 335 CG LEU A 438 -3.498 -7.574 -3.456 1.00 0.00 C ATOM 336 CD1 LEU A 438 -3.400 -9.058 -3.818 1.00 0.00 C ATOM 337 CD2 LEU A 438 -4.792 -6.979 -4.048 1.00 0.00 C ATOM 0 H LEU A 438 -1.371 -6.186 -2.300 1.00 0.00 H new ATOM 0 HA LEU A 438 -4.096 -5.368 -2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 438 -2.671 -8.014 -1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 438 -4.415 -7.842 -1.514 1.00 0.00 H new ATOM 0 HG LEU A 438 -2.649 -7.031 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 438 -3.403 -9.169 -4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 438 -2.476 -9.471 -3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 438 -4.251 -9.592 -3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 438 -4.779 -7.086 -5.133 1.00 0.00 H new ATOM 0 HD22 LEU A 438 -5.655 -7.507 -3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 438 -4.858 -5.922 -3.789 1.00 0.00 H new ATOM 349 N ASP A 439 -2.563 -6.150 0.758 1.00 0.00 N ATOM 350 CA ASP A 439 -2.697 -6.038 2.239 1.00 0.00 C ATOM 351 C ASP A 439 -2.958 -4.580 2.620 1.00 0.00 C ATOM 352 O ASP A 439 -3.793 -4.282 3.452 1.00 0.00 O ATOM 353 CB ASP A 439 -1.393 -6.501 2.894 1.00 0.00 C ATOM 354 CG ASP A 439 -1.261 -8.018 2.754 1.00 0.00 C ATOM 355 OD1 ASP A 439 -2.219 -8.637 2.325 1.00 0.00 O ATOM 356 OD2 ASP A 439 -0.203 -8.533 3.077 1.00 0.00 O ATOM 0 H ASP A 439 -1.661 -6.497 0.431 1.00 0.00 H new ATOM 0 HA ASP A 439 -3.527 -6.658 2.579 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -0.543 -6.007 2.424 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -1.383 -6.220 3.947 1.00 0.00 H new ATOM 361 N PHE A 440 -2.241 -3.674 2.016 1.00 0.00 N ATOM 362 CA PHE A 440 -2.424 -2.230 2.329 1.00 0.00 C ATOM 363 C PHE A 440 -3.854 -1.798 1.994 1.00 0.00 C ATOM 364 O PHE A 440 -4.489 -1.086 2.747 1.00 0.00 O ATOM 365 CB PHE A 440 -1.426 -1.417 1.507 1.00 0.00 C ATOM 366 CG PHE A 440 -1.598 0.053 1.806 1.00 0.00 C ATOM 367 CD1 PHE A 440 -1.319 0.541 3.089 1.00 0.00 C ATOM 368 CD2 PHE A 440 -2.030 0.929 0.804 1.00 0.00 C ATOM 369 CE1 PHE A 440 -1.471 1.903 3.368 1.00 0.00 C ATOM 370 CE2 PHE A 440 -2.180 2.291 1.082 1.00 0.00 C ATOM 371 CZ PHE A 440 -1.902 2.778 2.364 1.00 0.00 C ATOM 0 H PHE A 440 -1.530 -3.874 1.313 1.00 0.00 H new ATOM 0 HA PHE A 440 -2.251 -2.059 3.392 1.00 0.00 H new ATOM 0 HB2 PHE A 440 -0.408 -1.729 1.741 1.00 0.00 H new ATOM 0 HB3 PHE A 440 -1.580 -1.602 0.444 1.00 0.00 H new ATOM 0 HD1 PHE A 440 -0.986 -0.135 3.863 1.00 0.00 H new ATOM 0 HD2 PHE A 440 -2.248 0.553 -0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 440 -1.256 2.279 4.357 1.00 0.00 H new ATOM 0 HE2 PHE A 440 -2.510 2.967 0.307 1.00 0.00 H new ATOM 0 HZ PHE A 440 -2.020 3.830 2.579 1.00 0.00 H new ATOM 381 N ALA A 441 -4.357 -2.214 0.866 1.00 0.00 N ATOM 382 CA ALA A 441 -5.738 -1.822 0.469 1.00 0.00 C ATOM 383 C ALA A 441 -6.728 -2.231 1.561 1.00 0.00 C ATOM 384 O ALA A 441 -7.593 -1.464 1.944 1.00 0.00 O ATOM 385 CB ALA A 441 -6.097 -2.530 -0.839 1.00 0.00 C ATOM 0 H ALA A 441 -3.869 -2.811 0.199 1.00 0.00 H new ATOM 0 HA ALA A 441 -5.787 -0.742 0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 441 -7.107 -2.250 -1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 441 -5.393 -2.236 -1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 441 -6.048 -3.609 -0.694 1.00 0.00 H new ATOM 391 N TYR A 442 -6.612 -3.428 2.063 1.00 0.00 N ATOM 392 CA TYR A 442 -7.546 -3.890 3.129 1.00 0.00 C ATOM 393 C TYR A 442 -7.393 -3.008 4.367 1.00 0.00 C ATOM 394 O TYR A 442 -8.355 -2.699 5.044 1.00 0.00 O ATOM 395 CB TYR A 442 -7.231 -5.342 3.499 1.00 0.00 C ATOM 396 CG TYR A 442 -7.707 -6.265 2.397 1.00 0.00 C ATOM 397 CD1 TYR A 442 -9.078 -6.388 2.133 1.00 0.00 C ATOM 398 CD2 TYR A 442 -6.782 -7.000 1.642 1.00 0.00 C ATOM 399 CE1 TYR A 442 -9.522 -7.244 1.118 1.00 0.00 C ATOM 400 CE2 TYR A 442 -7.228 -7.857 0.629 1.00 0.00 C ATOM 401 CZ TYR A 442 -8.598 -7.978 0.367 1.00 0.00 C ATOM 402 OH TYR A 442 -9.035 -8.826 -0.631 1.00 0.00 O ATOM 0 H TYR A 442 -5.908 -4.110 1.780 1.00 0.00 H new ATOM 0 HA TYR A 442 -8.569 -3.823 2.759 1.00 0.00 H new ATOM 0 HB2 TYR A 442 -6.159 -5.464 3.651 1.00 0.00 H new ATOM 0 HB3 TYR A 442 -7.718 -5.601 4.439 1.00 0.00 H new ATOM 0 HD1 TYR A 442 -9.792 -5.822 2.713 1.00 0.00 H new ATOM 0 HD2 TYR A 442 -5.725 -6.905 1.842 1.00 0.00 H new ATOM 0 HE1 TYR A 442 -10.579 -7.338 0.915 1.00 0.00 H new ATOM 0 HE2 TYR A 442 -6.515 -8.425 0.049 1.00 0.00 H new ATOM 0 HH TYR A 442 -8.264 -9.258 -1.055 1.00 0.00 H new ATOM 412 N SER A 443 -6.189 -2.610 4.675 1.00 0.00 N ATOM 413 CA SER A 443 -5.969 -1.759 5.875 1.00 0.00 C ATOM 414 C SER A 443 -6.778 -0.471 5.751 1.00 0.00 C ATOM 415 O SER A 443 -7.364 -0.001 6.707 1.00 0.00 O ATOM 416 CB SER A 443 -4.484 -1.416 5.985 1.00 0.00 C ATOM 417 OG SER A 443 -3.729 -2.617 6.064 1.00 0.00 O ATOM 0 H SER A 443 -5.348 -2.839 4.145 1.00 0.00 H new ATOM 0 HA SER A 443 -6.289 -2.300 6.765 1.00 0.00 H new ATOM 0 HB2 SER A 443 -4.169 -0.831 5.121 1.00 0.00 H new ATOM 0 HB3 SER A 443 -4.305 -0.802 6.868 1.00 0.00 H new ATOM 0 HG SER A 443 -3.710 -3.050 5.185 1.00 0.00 H new ATOM 423 N LEU A 444 -6.805 0.112 4.586 1.00 0.00 N ATOM 424 CA LEU A 444 -7.562 1.378 4.406 1.00 0.00 C ATOM 425 C LEU A 444 -9.048 1.120 4.664 1.00 0.00 C ATOM 426 O LEU A 444 -9.711 1.886 5.337 1.00 0.00 O ATOM 427 CB LEU A 444 -7.371 1.867 2.972 1.00 0.00 C ATOM 428 CG LEU A 444 -5.876 2.081 2.691 1.00 0.00 C ATOM 429 CD1 LEU A 444 -5.696 2.537 1.240 1.00 0.00 C ATOM 430 CD2 LEU A 444 -5.293 3.137 3.647 1.00 0.00 C ATOM 0 H LEU A 444 -6.334 -0.235 3.750 1.00 0.00 H new ATOM 0 HA LEU A 444 -7.200 2.132 5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 444 -7.782 1.139 2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 444 -7.916 2.799 2.820 1.00 0.00 H new ATOM 0 HG LEU A 444 -5.346 1.142 2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 444 -4.636 2.690 1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 444 -6.089 1.774 0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 444 -6.235 3.471 1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 444 -4.233 3.276 3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 444 -5.818 4.082 3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 444 -5.415 2.802 4.677 1.00 0.00 H new ATOM 442 N HIS A 445 -9.572 0.039 4.142 1.00 0.00 N ATOM 443 CA HIS A 445 -11.011 -0.283 4.355 1.00 0.00 C ATOM 444 C HIS A 445 -11.315 -1.669 3.773 1.00 0.00 C ATOM 445 O HIS A 445 -10.620 -2.630 4.036 1.00 0.00 O ATOM 446 CB HIS A 445 -11.885 0.762 3.659 1.00 0.00 C ATOM 447 CG HIS A 445 -13.311 0.582 4.097 1.00 0.00 C ATOM 448 ND1 HIS A 445 -13.719 0.805 5.402 1.00 0.00 N ATOM 449 CD2 HIS A 445 -14.437 0.201 3.413 1.00 0.00 C ATOM 450 CE1 HIS A 445 -15.040 0.555 5.463 1.00 0.00 C ATOM 451 NE2 HIS A 445 -15.528 0.183 4.276 1.00 0.00 N ATOM 0 H HIS A 445 -9.059 -0.636 3.575 1.00 0.00 H new ATOM 0 HA HIS A 445 -11.226 -0.278 5.424 1.00 0.00 H new ATOM 0 HB2 HIS A 445 -11.540 1.766 3.906 1.00 0.00 H new ATOM 0 HB3 HIS A 445 -11.808 0.656 2.577 1.00 0.00 H new ATOM 0 HD2 HIS A 445 -14.472 -0.048 2.363 1.00 0.00 H new ATOM 0 HE1 HIS A 445 -15.633 0.644 6.361 1.00 0.00 H new ATOM 0 HE2 HIS A 445 -16.492 -0.061 4.051 1.00 0.00 H new ATOM 459 N SER A 446 -12.350 -1.775 2.983 1.00 0.00 N ATOM 460 CA SER A 446 -12.715 -3.089 2.375 1.00 0.00 C ATOM 461 C SER A 446 -13.285 -2.856 0.976 1.00 0.00 C ATOM 462 O SER A 446 -12.720 -3.272 -0.017 1.00 0.00 O ATOM 463 CB SER A 446 -13.772 -3.774 3.244 1.00 0.00 C ATOM 464 OG SER A 446 -13.868 -5.144 2.877 1.00 0.00 O ATOM 0 H SER A 446 -12.964 -1.001 2.730 1.00 0.00 H new ATOM 0 HA SER A 446 -11.829 -3.721 2.310 1.00 0.00 H new ATOM 0 HB2 SER A 446 -13.506 -3.686 4.297 1.00 0.00 H new ATOM 0 HB3 SER A 446 -14.737 -3.283 3.117 1.00 0.00 H new ATOM 0 HG SER A 446 -14.543 -5.585 3.434 1.00 0.00 H new ATOM 470 N ASP A 447 -14.405 -2.192 0.894 1.00 0.00 N ATOM 471 CA ASP A 447 -15.025 -1.928 -0.433 1.00 0.00 C ATOM 472 C ASP A 447 -14.089 -1.064 -1.277 1.00 0.00 C ATOM 473 O ASP A 447 -13.882 -1.320 -2.447 1.00 0.00 O ATOM 474 CB ASP A 447 -16.348 -1.187 -0.228 1.00 0.00 C ATOM 475 CG ASP A 447 -17.387 -2.146 0.357 1.00 0.00 C ATOM 476 OD1 ASP A 447 -17.149 -3.341 0.319 1.00 0.00 O ATOM 477 OD2 ASP A 447 -18.405 -1.668 0.834 1.00 0.00 O ATOM 0 H ASP A 447 -14.919 -1.820 1.693 1.00 0.00 H new ATOM 0 HA ASP A 447 -15.203 -2.873 -0.946 1.00 0.00 H new ATOM 0 HB2 ASP A 447 -16.202 -0.340 0.442 1.00 0.00 H new ATOM 0 HB3 ASP A 447 -16.703 -0.785 -1.177 1.00 0.00 H new ATOM 482 N LEU A 448 -13.531 -0.037 -0.695 1.00 0.00 N ATOM 483 CA LEU A 448 -12.616 0.851 -1.460 1.00 0.00 C ATOM 484 C LEU A 448 -11.398 0.039 -1.910 1.00 0.00 C ATOM 485 O LEU A 448 -10.976 0.104 -3.049 1.00 0.00 O ATOM 486 CB LEU A 448 -12.173 2.009 -0.544 1.00 0.00 C ATOM 487 CG LEU A 448 -11.824 3.262 -1.370 1.00 0.00 C ATOM 488 CD1 LEU A 448 -10.812 2.908 -2.466 1.00 0.00 C ATOM 489 CD2 LEU A 448 -13.101 3.856 -2.008 1.00 0.00 C ATOM 0 H LEU A 448 -13.671 0.224 0.281 1.00 0.00 H new ATOM 0 HA LEU A 448 -13.119 1.256 -2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 448 -12.969 2.244 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 448 -11.307 1.703 0.043 1.00 0.00 H new ATOM 0 HG LEU A 448 -11.383 4.004 -0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 448 -10.573 3.801 -3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 448 -9.903 2.517 -2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 448 -11.240 2.153 -3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 448 -12.840 4.741 -2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 448 -13.559 3.115 -2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 448 -13.805 4.132 -1.223 1.00 0.00 H new ATOM 501 N GLY A 449 -10.836 -0.730 -1.017 1.00 0.00 N ATOM 502 CA GLY A 449 -9.648 -1.551 -1.374 1.00 0.00 C ATOM 503 C GLY A 449 -10.055 -2.657 -2.345 1.00 0.00 C ATOM 504 O GLY A 449 -9.334 -2.985 -3.268 1.00 0.00 O ATOM 0 H GLY A 449 -11.152 -0.824 -0.052 1.00 0.00 H new ATOM 0 HA2 GLY A 449 -8.882 -0.921 -1.827 1.00 0.00 H new ATOM 0 HA3 GLY A 449 -9.212 -1.986 -0.475 1.00 0.00 H new ATOM 508 N ASP A 450 -11.202 -3.240 -2.136 1.00 0.00 N ATOM 509 CA ASP A 450 -11.665 -4.334 -3.034 1.00 0.00 C ATOM 510 C ASP A 450 -11.865 -3.794 -4.448 1.00 0.00 C ATOM 511 O ASP A 450 -11.582 -4.462 -5.423 1.00 0.00 O ATOM 512 CB ASP A 450 -12.992 -4.889 -2.512 1.00 0.00 C ATOM 513 CG ASP A 450 -12.739 -5.716 -1.249 1.00 0.00 C ATOM 514 OD1 ASP A 450 -11.591 -6.048 -1.002 1.00 0.00 O ATOM 515 OD2 ASP A 450 -13.697 -6.001 -0.550 1.00 0.00 O ATOM 0 H ASP A 450 -11.842 -3.004 -1.378 1.00 0.00 H new ATOM 0 HA ASP A 450 -10.916 -5.125 -3.054 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -13.679 -4.072 -2.293 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -13.465 -5.507 -3.275 1.00 0.00 H new ATOM 520 N HIS A 451 -12.360 -2.594 -4.567 1.00 0.00 N ATOM 521 CA HIS A 451 -12.595 -2.010 -5.917 1.00 0.00 C ATOM 522 C HIS A 451 -11.293 -1.407 -6.446 1.00 0.00 C ATOM 523 O HIS A 451 -11.297 -0.578 -7.333 1.00 0.00 O ATOM 524 CB HIS A 451 -13.662 -0.917 -5.814 1.00 0.00 C ATOM 525 CG HIS A 451 -15.019 -1.553 -5.672 1.00 0.00 C ATOM 526 ND1 HIS A 451 -15.484 -2.041 -4.461 1.00 0.00 N ATOM 527 CD2 HIS A 451 -16.020 -1.794 -6.582 1.00 0.00 C ATOM 528 CE1 HIS A 451 -16.712 -2.548 -4.672 1.00 0.00 C ATOM 529 NE2 HIS A 451 -17.087 -2.422 -5.949 1.00 0.00 N ATOM 0 H HIS A 451 -12.613 -1.990 -3.785 1.00 0.00 H new ATOM 0 HA HIS A 451 -12.935 -2.789 -6.600 1.00 0.00 H new ATOM 0 HB2 HIS A 451 -13.458 -0.274 -4.957 1.00 0.00 H new ATOM 0 HB3 HIS A 451 -13.636 -0.284 -6.701 1.00 0.00 H new ATOM 0 HD1 HIS A 451 -14.986 -2.020 -3.571 1.00 0.00 H new ATOM 0 HD2 HIS A 451 -15.984 -1.535 -7.630 1.00 0.00 H new ATOM 0 HE1 HIS A 451 -17.321 -3.001 -3.904 1.00 0.00 H new ATOM 537 N CYS A 452 -10.178 -1.819 -5.908 1.00 0.00 N ATOM 538 CA CYS A 452 -8.874 -1.269 -6.376 1.00 0.00 C ATOM 539 C CYS A 452 -8.564 -1.800 -7.778 1.00 0.00 C ATOM 540 O CYS A 452 -8.491 -2.992 -7.998 1.00 0.00 O ATOM 541 CB CYS A 452 -7.768 -1.703 -5.415 1.00 0.00 C ATOM 542 SG CYS A 452 -7.674 -3.511 -5.376 1.00 0.00 S ATOM 0 H CYS A 452 -10.113 -2.513 -5.164 1.00 0.00 H new ATOM 0 HA CYS A 452 -8.930 -0.181 -6.405 1.00 0.00 H new ATOM 0 HB2 CYS A 452 -6.812 -1.286 -5.732 1.00 0.00 H new ATOM 0 HB3 CYS A 452 -7.969 -1.317 -4.415 1.00 0.00 H new ATOM 0 HG CYS A 452 -8.447 -3.966 -4.435 1.00 0.00 H new ATOM 548 N ILE A 453 -8.373 -0.918 -8.726 1.00 0.00 N ATOM 549 CA ILE A 453 -8.060 -1.354 -10.123 1.00 0.00 C ATOM 550 C ILE A 453 -6.554 -1.249 -10.373 1.00 0.00 C ATOM 551 O ILE A 453 -6.067 -1.603 -11.428 1.00 0.00 O ATOM 552 CB ILE A 453 -8.813 -0.462 -11.116 1.00 0.00 C ATOM 553 CG1 ILE A 453 -8.434 1.008 -10.893 1.00 0.00 C ATOM 554 CG2 ILE A 453 -10.319 -0.631 -10.913 1.00 0.00 C ATOM 555 CD1 ILE A 453 -9.084 1.871 -11.976 1.00 0.00 C ATOM 0 H ILE A 453 -8.421 0.092 -8.592 1.00 0.00 H new ATOM 0 HA ILE A 453 -8.372 -2.390 -10.257 1.00 0.00 H new ATOM 0 HB ILE A 453 -8.543 -0.753 -12.131 1.00 0.00 H new ATOM 0 HG12 ILE A 453 -8.763 1.334 -9.906 1.00 0.00 H new ATOM 0 HG13 ILE A 453 -7.351 1.124 -10.922 1.00 0.00 H new ATOM 0 HG21 ILE A 453 -10.855 0.003 -11.619 1.00 0.00 H new ATOM 0 HG22 ILE A 453 -10.594 -1.672 -11.080 1.00 0.00 H new ATOM 0 HG23 ILE A 453 -10.583 -0.345 -9.895 1.00 0.00 H new ATOM 0 HD11 ILE A 453 -8.816 2.916 -11.819 1.00 0.00 H new ATOM 0 HD12 ILE A 453 -8.733 1.550 -12.957 1.00 0.00 H new ATOM 0 HD13 ILE A 453 -10.167 1.763 -11.925 1.00 0.00 H new ATOM 567 N GLY A 454 -5.814 -0.765 -9.414 1.00 0.00 N ATOM 568 CA GLY A 454 -4.340 -0.640 -9.606 1.00 0.00 C ATOM 569 C GLY A 454 -3.685 -0.179 -8.303 1.00 0.00 C ATOM 570 O GLY A 454 -4.344 0.042 -7.306 1.00 0.00 O ATOM 0 H GLY A 454 -6.164 -0.451 -8.509 1.00 0.00 H new ATOM 0 HA2 GLY A 454 -3.922 -1.598 -9.915 1.00 0.00 H new ATOM 0 HA3 GLY A 454 -4.127 0.073 -10.403 1.00 0.00 H new ATOM 574 N ALA A 455 -2.388 -0.029 -8.310 1.00 0.00 N ATOM 575 CA ALA A 455 -1.663 0.422 -7.082 1.00 0.00 C ATOM 576 C ALA A 455 -0.545 1.382 -7.487 1.00 0.00 C ATOM 577 O ALA A 455 0.054 1.237 -8.536 1.00 0.00 O ATOM 578 CB ALA A 455 -1.051 -0.791 -6.380 1.00 0.00 C ATOM 0 H ALA A 455 -1.792 -0.201 -9.120 1.00 0.00 H new ATOM 0 HA ALA A 455 -2.358 0.923 -6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 455 -0.522 -0.465 -5.485 1.00 0.00 H new ATOM 0 HB2 ALA A 455 -1.842 -1.487 -6.101 1.00 0.00 H new ATOM 0 HB3 ALA A 455 -0.352 -1.287 -7.054 1.00 0.00 H new ATOM 584 N LYS A 456 -0.252 2.361 -6.666 1.00 0.00 N ATOM 585 CA LYS A 456 0.837 3.333 -7.002 1.00 0.00 C ATOM 586 C LYS A 456 1.723 3.533 -5.769 1.00 0.00 C ATOM 587 O LYS A 456 1.256 3.919 -4.715 1.00 0.00 O ATOM 588 CB LYS A 456 0.210 4.671 -7.426 1.00 0.00 C ATOM 589 CG LYS A 456 1.203 5.459 -8.285 1.00 0.00 C ATOM 590 CD LYS A 456 0.525 6.717 -8.827 1.00 0.00 C ATOM 591 CE LYS A 456 1.504 7.460 -9.737 1.00 0.00 C ATOM 592 NZ LYS A 456 0.838 8.662 -10.311 1.00 0.00 N ATOM 0 H LYS A 456 -0.721 2.530 -5.776 1.00 0.00 H new ATOM 0 HA LYS A 456 1.443 2.950 -7.823 1.00 0.00 H new ATOM 0 HB2 LYS A 456 -0.708 4.492 -7.986 1.00 0.00 H new ATOM 0 HB3 LYS A 456 -0.063 5.251 -6.544 1.00 0.00 H new ATOM 0 HG2 LYS A 456 2.076 5.731 -7.692 1.00 0.00 H new ATOM 0 HG3 LYS A 456 1.557 4.840 -9.110 1.00 0.00 H new ATOM 0 HD2 LYS A 456 -0.375 6.450 -9.381 1.00 0.00 H new ATOM 0 HD3 LYS A 456 0.214 7.361 -8.004 1.00 0.00 H new ATOM 0 HE2 LYS A 456 2.388 7.756 -9.172 1.00 0.00 H new ATOM 0 HE3 LYS A 456 1.843 6.802 -10.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 1.505 9.166 -10.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 0.008 8.368 -10.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 0.536 9.292 -9.541 1.00 0.00 H new ATOM 606 N VAL A 457 2.998 3.261 -5.898 1.00 0.00 N ATOM 607 CA VAL A 457 3.943 3.413 -4.743 1.00 0.00 C ATOM 608 C VAL A 457 5.074 4.372 -5.127 1.00 0.00 C ATOM 609 O VAL A 457 5.645 4.282 -6.198 1.00 0.00 O ATOM 610 CB VAL A 457 4.518 2.038 -4.383 1.00 0.00 C ATOM 611 CG1 VAL A 457 5.674 2.201 -3.393 1.00 0.00 C ATOM 612 CG2 VAL A 457 3.417 1.186 -3.743 1.00 0.00 C ATOM 0 H VAL A 457 3.431 2.937 -6.763 1.00 0.00 H new ATOM 0 HA VAL A 457 3.413 3.821 -3.882 1.00 0.00 H new ATOM 0 HB VAL A 457 4.886 1.551 -5.286 1.00 0.00 H new ATOM 0 HG11 VAL A 457 6.078 1.221 -3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 457 6.456 2.811 -3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 457 5.312 2.688 -2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 457 3.819 0.206 -3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 457 3.054 1.679 -2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 457 2.594 1.066 -4.448 1.00 0.00 H new ATOM 622 N ASN A 458 5.396 5.290 -4.256 1.00 0.00 N ATOM 623 CA ASN A 458 6.484 6.265 -4.551 1.00 0.00 C ATOM 624 C ASN A 458 6.149 7.032 -5.831 1.00 0.00 C ATOM 625 O ASN A 458 7.001 7.269 -6.664 1.00 0.00 O ATOM 626 CB ASN A 458 7.814 5.527 -4.729 1.00 0.00 C ATOM 627 CG ASN A 458 8.966 6.532 -4.661 1.00 0.00 C ATOM 628 OD1 ASN A 458 9.258 7.205 -5.631 1.00 0.00 O ATOM 629 ND2 ASN A 458 9.636 6.667 -3.549 1.00 0.00 N ATOM 0 H ASN A 458 4.949 5.407 -3.347 1.00 0.00 H new ATOM 0 HA ASN A 458 6.573 6.964 -3.719 1.00 0.00 H new ATOM 0 HB2 ASN A 458 7.930 4.771 -3.952 1.00 0.00 H new ATOM 0 HB3 ASN A 458 7.828 5.005 -5.686 1.00 0.00 H new ATOM 0 HD21 ASN A 458 10.404 7.336 -3.494 1.00 0.00 H new ATOM 0 HD22 ASN A 458 9.392 6.103 -2.735 1.00 0.00 H new ATOM 636 N HIS A 459 4.910 7.424 -5.984 1.00 0.00 N ATOM 637 CA HIS A 459 4.497 8.183 -7.199 1.00 0.00 C ATOM 638 C HIS A 459 4.866 7.399 -8.461 1.00 0.00 C ATOM 639 O HIS A 459 4.920 7.946 -9.545 1.00 0.00 O ATOM 640 CB HIS A 459 5.187 9.548 -7.217 1.00 0.00 C ATOM 641 CG HIS A 459 4.741 10.343 -6.021 1.00 0.00 C ATOM 642 ND1 HIS A 459 3.496 10.949 -5.961 1.00 0.00 N ATOM 643 CD2 HIS A 459 5.358 10.632 -4.829 1.00 0.00 C ATOM 644 CE1 HIS A 459 3.404 11.568 -4.769 1.00 0.00 C ATOM 645 NE2 HIS A 459 4.512 11.406 -4.040 1.00 0.00 N ATOM 0 H HIS A 459 4.162 7.248 -5.313 1.00 0.00 H new ATOM 0 HA HIS A 459 3.417 8.327 -7.175 1.00 0.00 H new ATOM 0 HB2 HIS A 459 6.270 9.422 -7.202 1.00 0.00 H new ATOM 0 HB3 HIS A 459 4.941 10.081 -8.135 1.00 0.00 H new ATOM 0 HD2 HIS A 459 6.349 10.308 -4.547 1.00 0.00 H new ATOM 0 HE1 HIS A 459 2.540 12.127 -4.442 1.00 0.00 H new ATOM 0 HE2 HIS A 459 4.698 11.771 -3.106 1.00 0.00 H new ATOM 653 N LYS A 460 5.106 6.118 -8.325 1.00 0.00 N ATOM 654 CA LYS A 460 5.459 5.267 -9.508 1.00 0.00 C ATOM 655 C LYS A 460 4.457 4.118 -9.618 1.00 0.00 C ATOM 656 O LYS A 460 3.990 3.588 -8.630 1.00 0.00 O ATOM 657 CB LYS A 460 6.869 4.703 -9.334 1.00 0.00 C ATOM 658 CG LYS A 460 7.891 5.825 -9.535 1.00 0.00 C ATOM 659 CD LYS A 460 9.313 5.256 -9.501 1.00 0.00 C ATOM 660 CE LYS A 460 9.678 4.817 -8.081 1.00 0.00 C ATOM 661 NZ LYS A 460 11.152 4.628 -7.994 1.00 0.00 N ATOM 0 H LYS A 460 5.072 5.619 -7.436 1.00 0.00 H new ATOM 0 HA LYS A 460 5.425 5.871 -10.415 1.00 0.00 H new ATOM 0 HB2 LYS A 460 6.979 4.269 -8.340 1.00 0.00 H new ATOM 0 HB3 LYS A 460 7.044 3.903 -10.053 1.00 0.00 H new ATOM 0 HG2 LYS A 460 7.713 6.323 -10.488 1.00 0.00 H new ATOM 0 HG3 LYS A 460 7.774 6.578 -8.756 1.00 0.00 H new ATOM 0 HD2 LYS A 460 9.389 4.408 -10.181 1.00 0.00 H new ATOM 0 HD3 LYS A 460 10.021 6.008 -9.849 1.00 0.00 H new ATOM 0 HE2 LYS A 460 9.352 5.567 -7.360 1.00 0.00 H new ATOM 0 HE3 LYS A 460 9.164 3.889 -7.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 11.407 4.329 -7.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 11.449 3.898 -8.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 11.631 5.524 -8.217 1.00 0.00 H new ATOM 675 N LEU A 461 4.117 3.736 -10.818 1.00 0.00 N ATOM 676 CA LEU A 461 3.139 2.629 -11.003 1.00 0.00 C ATOM 677 C LEU A 461 3.768 1.300 -10.587 1.00 0.00 C ATOM 678 O LEU A 461 4.882 0.986 -10.956 1.00 0.00 O ATOM 679 CB LEU A 461 2.725 2.558 -12.479 1.00 0.00 C ATOM 680 CG LEU A 461 1.795 1.359 -12.716 1.00 0.00 C ATOM 681 CD1 LEU A 461 0.582 1.435 -11.774 1.00 0.00 C ATOM 682 CD2 LEU A 461 1.320 1.379 -14.170 1.00 0.00 C ATOM 0 H LEU A 461 4.476 4.145 -11.681 1.00 0.00 H new ATOM 0 HA LEU A 461 2.263 2.818 -10.383 1.00 0.00 H new ATOM 0 HB2 LEU A 461 2.220 3.480 -12.767 1.00 0.00 H new ATOM 0 HB3 LEU A 461 3.611 2.470 -13.108 1.00 0.00 H new ATOM 0 HG LEU A 461 2.336 0.435 -12.515 1.00 0.00 H new ATOM 0 HD11 LEU A 461 -0.070 0.580 -11.951 1.00 0.00 H new ATOM 0 HD12 LEU A 461 0.924 1.423 -10.739 1.00 0.00 H new ATOM 0 HD13 LEU A 461 0.032 2.357 -11.963 1.00 0.00 H new ATOM 0 HD21 LEU A 461 0.659 0.531 -14.348 1.00 0.00 H new ATOM 0 HD22 LEU A 461 0.781 2.306 -14.364 1.00 0.00 H new ATOM 0 HD23 LEU A 461 2.181 1.314 -14.835 1.00 0.00 H new ATOM 694 N VAL A 462 3.048 0.506 -9.833 1.00 0.00 N ATOM 695 CA VAL A 462 3.583 -0.820 -9.398 1.00 0.00 C ATOM 696 C VAL A 462 2.437 -1.847 -9.409 1.00 0.00 C ATOM 697 O VAL A 462 1.292 -1.501 -9.190 1.00 0.00 O ATOM 698 CB VAL A 462 4.150 -0.707 -7.980 1.00 0.00 C ATOM 699 CG1 VAL A 462 5.505 0.004 -8.025 1.00 0.00 C ATOM 700 CG2 VAL A 462 3.179 0.089 -7.100 1.00 0.00 C ATOM 0 H VAL A 462 2.109 0.721 -9.499 1.00 0.00 H new ATOM 0 HA VAL A 462 4.375 -1.137 -10.077 1.00 0.00 H new ATOM 0 HB VAL A 462 4.280 -1.705 -7.562 1.00 0.00 H new ATOM 0 HG11 VAL A 462 5.908 0.084 -7.015 1.00 0.00 H new ATOM 0 HG12 VAL A 462 6.195 -0.567 -8.647 1.00 0.00 H new ATOM 0 HG13 VAL A 462 5.379 1.002 -8.445 1.00 0.00 H new ATOM 0 HG21 VAL A 462 3.584 0.169 -6.091 1.00 0.00 H new ATOM 0 HG22 VAL A 462 3.045 1.087 -7.517 1.00 0.00 H new ATOM 0 HG23 VAL A 462 2.217 -0.422 -7.065 1.00 0.00 H new ATOM 710 N PRO A 463 2.738 -3.101 -9.656 1.00 0.00 N ATOM 711 CA PRO A 463 1.705 -4.184 -9.691 1.00 0.00 C ATOM 712 C PRO A 463 1.098 -4.466 -8.309 1.00 0.00 C ATOM 713 O PRO A 463 1.643 -4.093 -7.289 1.00 0.00 O ATOM 714 CB PRO A 463 2.472 -5.410 -10.217 1.00 0.00 C ATOM 715 CG PRO A 463 3.905 -5.148 -9.878 1.00 0.00 C ATOM 716 CD PRO A 463 4.087 -3.631 -9.936 1.00 0.00 C ATOM 0 HA PRO A 463 0.855 -3.908 -10.315 1.00 0.00 H new ATOM 0 HB2 PRO A 463 2.117 -6.328 -9.748 1.00 0.00 H new ATOM 0 HB3 PRO A 463 2.336 -5.528 -11.292 1.00 0.00 H new ATOM 0 HG2 PRO A 463 4.147 -5.531 -8.887 1.00 0.00 H new ATOM 0 HG3 PRO A 463 4.569 -5.647 -10.584 1.00 0.00 H new ATOM 0 HD2 PRO A 463 4.812 -3.287 -9.199 1.00 0.00 H new ATOM 0 HD3 PRO A 463 4.448 -3.309 -10.913 1.00 0.00 H new ATOM 724 N LEU A 464 -0.036 -5.116 -8.284 1.00 0.00 N ATOM 725 CA LEU A 464 -0.707 -5.428 -6.989 1.00 0.00 C ATOM 726 C LEU A 464 0.193 -6.340 -6.149 1.00 0.00 C ATOM 727 O LEU A 464 0.303 -6.184 -4.949 1.00 0.00 O ATOM 728 CB LEU A 464 -2.037 -6.143 -7.275 1.00 0.00 C ATOM 729 CG LEU A 464 -3.108 -5.117 -7.651 1.00 0.00 C ATOM 730 CD1 LEU A 464 -2.702 -4.397 -8.942 1.00 0.00 C ATOM 731 CD2 LEU A 464 -4.440 -5.836 -7.867 1.00 0.00 C ATOM 0 H LEU A 464 -0.530 -5.447 -9.113 1.00 0.00 H new ATOM 0 HA LEU A 464 -0.893 -4.505 -6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -1.908 -6.860 -8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 464 -2.353 -6.707 -6.397 1.00 0.00 H new ATOM 0 HG LEU A 464 -3.210 -4.387 -6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 464 -3.467 -3.667 -9.207 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -1.751 -3.887 -8.790 1.00 0.00 H new ATOM 0 HD13 LEU A 464 -2.600 -5.124 -9.747 1.00 0.00 H new ATOM 0 HD21 LEU A 464 -5.207 -5.109 -8.135 1.00 0.00 H new ATOM 0 HD22 LEU A 464 -4.334 -6.565 -8.671 1.00 0.00 H new ATOM 0 HD23 LEU A 464 -4.730 -6.348 -6.949 1.00 0.00 H new ATOM 743 N SER A 465 0.827 -7.293 -6.773 1.00 0.00 N ATOM 744 CA SER A 465 1.712 -8.225 -6.019 1.00 0.00 C ATOM 745 C SER A 465 3.026 -7.519 -5.672 1.00 0.00 C ATOM 746 O SER A 465 3.973 -8.137 -5.229 1.00 0.00 O ATOM 747 CB SER A 465 2.008 -9.449 -6.885 1.00 0.00 C ATOM 748 OG SER A 465 2.791 -9.056 -8.005 1.00 0.00 O ATOM 0 H SER A 465 0.770 -7.467 -7.776 1.00 0.00 H new ATOM 0 HA SER A 465 1.215 -8.535 -5.100 1.00 0.00 H new ATOM 0 HB2 SER A 465 2.539 -10.201 -6.302 1.00 0.00 H new ATOM 0 HB3 SER A 465 1.076 -9.905 -7.220 1.00 0.00 H new ATOM 0 HG SER A 465 2.983 -9.840 -8.561 1.00 0.00 H new ATOM 754 N TYR A 466 3.088 -6.232 -5.879 1.00 0.00 N ATOM 755 CA TYR A 466 4.337 -5.478 -5.574 1.00 0.00 C ATOM 756 C TYR A 466 4.619 -5.507 -4.068 1.00 0.00 C ATOM 757 O TYR A 466 3.735 -5.315 -3.256 1.00 0.00 O ATOM 758 CB TYR A 466 4.174 -4.028 -6.029 1.00 0.00 C ATOM 759 CG TYR A 466 5.421 -3.251 -5.687 1.00 0.00 C ATOM 760 CD1 TYR A 466 6.567 -3.384 -6.479 1.00 0.00 C ATOM 761 CD2 TYR A 466 5.432 -2.396 -4.577 1.00 0.00 C ATOM 762 CE1 TYR A 466 7.725 -2.662 -6.162 1.00 0.00 C ATOM 763 CE2 TYR A 466 6.588 -1.674 -4.261 1.00 0.00 C ATOM 764 CZ TYR A 466 7.735 -1.807 -5.053 1.00 0.00 C ATOM 765 OH TYR A 466 8.876 -1.095 -4.741 1.00 0.00 O ATOM 0 H TYR A 466 2.323 -5.667 -6.248 1.00 0.00 H new ATOM 0 HA TYR A 466 5.171 -5.943 -6.101 1.00 0.00 H new ATOM 0 HB2 TYR A 466 3.993 -3.991 -7.103 1.00 0.00 H new ATOM 0 HB3 TYR A 466 3.308 -3.578 -5.544 1.00 0.00 H new ATOM 0 HD1 TYR A 466 6.559 -4.043 -7.334 1.00 0.00 H new ATOM 0 HD2 TYR A 466 4.548 -2.294 -3.965 1.00 0.00 H new ATOM 0 HE1 TYR A 466 8.610 -2.765 -6.773 1.00 0.00 H new ATOM 0 HE2 TYR A 466 6.596 -1.014 -3.406 1.00 0.00 H new ATOM 0 HH TYR A 466 8.713 -0.549 -3.943 1.00 0.00 H new ATOM 775 N VAL A 467 5.849 -5.739 -3.695 1.00 0.00 N ATOM 776 CA VAL A 467 6.207 -5.778 -2.247 1.00 0.00 C ATOM 777 C VAL A 467 6.346 -4.347 -1.715 1.00 0.00 C ATOM 778 O VAL A 467 6.999 -3.513 -2.309 1.00 0.00 O ATOM 779 CB VAL A 467 7.528 -6.527 -2.079 1.00 0.00 C ATOM 780 CG1 VAL A 467 7.816 -6.738 -0.591 1.00 0.00 C ATOM 781 CG2 VAL A 467 7.422 -7.885 -2.775 1.00 0.00 C ATOM 0 H VAL A 467 6.626 -5.904 -4.335 1.00 0.00 H new ATOM 0 HA VAL A 467 5.426 -6.291 -1.686 1.00 0.00 H new ATOM 0 HB VAL A 467 8.337 -5.946 -2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 467 8.759 -7.272 -0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 467 7.883 -5.771 -0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 467 7.011 -7.321 -0.144 1.00 0.00 H new ATOM 0 HG21 VAL A 467 8.361 -8.427 -2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 467 6.613 -8.462 -2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 467 7.217 -7.736 -3.835 1.00 0.00 H new ATOM 791 N LEU A 468 5.724 -4.059 -0.605 1.00 0.00 N ATOM 792 CA LEU A 468 5.796 -2.684 -0.027 1.00 0.00 C ATOM 793 C LEU A 468 7.162 -2.447 0.619 1.00 0.00 C ATOM 794 O LEU A 468 7.789 -3.358 1.124 1.00 0.00 O ATOM 795 CB LEU A 468 4.702 -2.530 1.030 1.00 0.00 C ATOM 796 CG LEU A 468 3.334 -2.832 0.407 1.00 0.00 C ATOM 797 CD1 LEU A 468 2.257 -2.714 1.487 1.00 0.00 C ATOM 798 CD2 LEU A 468 3.042 -1.840 -0.733 1.00 0.00 C ATOM 0 H LEU A 468 5.164 -4.722 -0.068 1.00 0.00 H new ATOM 0 HA LEU A 468 5.654 -1.954 -0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 468 4.890 -3.207 1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 468 4.713 -1.517 1.433 1.00 0.00 H new ATOM 0 HG LEU A 468 3.336 -3.842 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 468 1.281 -2.927 1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 468 2.462 -3.427 2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 468 2.260 -1.703 1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 468 2.068 -2.063 -1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 468 3.039 -0.824 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 468 3.812 -1.930 -1.500 1.00 0.00 H new ATOM 810 N ASN A 469 7.621 -1.217 0.609 1.00 0.00 N ATOM 811 CA ASN A 469 8.948 -0.879 1.221 1.00 0.00 C ATOM 812 C ASN A 469 8.759 0.222 2.270 1.00 0.00 C ATOM 813 O ASN A 469 7.963 1.125 2.107 1.00 0.00 O ATOM 814 CB ASN A 469 9.899 -0.394 0.127 1.00 0.00 C ATOM 815 CG ASN A 469 10.316 -1.588 -0.733 1.00 0.00 C ATOM 816 OD1 ASN A 469 10.179 -2.723 -0.322 1.00 0.00 O ATOM 817 ND2 ASN A 469 10.824 -1.381 -1.916 1.00 0.00 N ATOM 0 H ASN A 469 7.128 -0.424 0.199 1.00 0.00 H new ATOM 0 HA ASN A 469 9.369 -1.763 1.700 1.00 0.00 H new ATOM 0 HB2 ASN A 469 9.411 0.362 -0.489 1.00 0.00 H new ATOM 0 HB3 ASN A 469 10.777 0.075 0.571 1.00 0.00 H new ATOM 0 HD21 ASN A 469 11.106 -2.172 -2.495 1.00 0.00 H new ATOM 0 HD22 ASN A 469 10.939 -0.428 -2.262 1.00 0.00 H new ATOM 824 N SER A 470 9.480 0.134 3.353 1.00 0.00 N ATOM 825 CA SER A 470 9.350 1.149 4.441 1.00 0.00 C ATOM 826 C SER A 470 9.836 2.521 3.965 1.00 0.00 C ATOM 827 O SER A 470 10.802 2.634 3.238 1.00 0.00 O ATOM 828 CB SER A 470 10.188 0.700 5.637 1.00 0.00 C ATOM 829 OG SER A 470 10.158 1.707 6.637 1.00 0.00 O ATOM 0 H SER A 470 10.161 -0.604 3.534 1.00 0.00 H new ATOM 0 HA SER A 470 8.301 1.234 4.723 1.00 0.00 H new ATOM 0 HB2 SER A 470 9.799 -0.237 6.037 1.00 0.00 H new ATOM 0 HB3 SER A 470 11.215 0.512 5.325 1.00 0.00 H new ATOM 0 HG SER A 470 10.694 1.420 7.406 1.00 0.00 H new ATOM 835 N GLY A 471 9.171 3.568 4.386 1.00 0.00 N ATOM 836 CA GLY A 471 9.583 4.947 3.982 1.00 0.00 C ATOM 837 C GLY A 471 8.822 5.368 2.728 1.00 0.00 C ATOM 838 O GLY A 471 8.603 6.538 2.486 1.00 0.00 O ATOM 0 H GLY A 471 8.355 3.526 4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 471 9.383 5.648 4.792 1.00 0.00 H new ATOM 0 HA3 GLY A 471 10.656 4.975 3.794 1.00 0.00 H new ATOM 842 N ASP A 472 8.424 4.422 1.925 1.00 0.00 N ATOM 843 CA ASP A 472 7.684 4.761 0.678 1.00 0.00 C ATOM 844 C ASP A 472 6.224 5.067 1.004 1.00 0.00 C ATOM 845 O ASP A 472 5.716 4.694 2.043 1.00 0.00 O ATOM 846 CB ASP A 472 7.755 3.576 -0.289 1.00 0.00 C ATOM 847 CG ASP A 472 9.158 3.497 -0.892 1.00 0.00 C ATOM 848 OD1 ASP A 472 10.030 4.200 -0.407 1.00 0.00 O ATOM 849 OD2 ASP A 472 9.336 2.737 -1.829 1.00 0.00 O ATOM 0 H ASP A 472 8.580 3.426 2.079 1.00 0.00 H new ATOM 0 HA ASP A 472 8.137 5.639 0.218 1.00 0.00 H new ATOM 0 HB2 ASP A 472 7.520 2.650 0.235 1.00 0.00 H new ATOM 0 HB3 ASP A 472 7.013 3.692 -1.079 1.00 0.00 H new ATOM 854 N GLN A 473 5.544 5.737 0.108 1.00 0.00 N ATOM 855 CA GLN A 473 4.104 6.075 0.331 1.00 0.00 C ATOM 856 C GLN A 473 3.249 5.166 -0.552 1.00 0.00 C ATOM 857 O GLN A 473 3.411 5.125 -1.754 1.00 0.00 O ATOM 858 CB GLN A 473 3.859 7.536 -0.057 1.00 0.00 C ATOM 859 CG GLN A 473 2.385 7.879 0.160 1.00 0.00 C ATOM 860 CD GLN A 473 2.179 9.381 -0.039 1.00 0.00 C ATOM 861 OE1 GLN A 473 3.125 10.143 -0.021 1.00 0.00 O ATOM 862 NE2 GLN A 473 0.973 9.841 -0.226 1.00 0.00 N ATOM 0 H GLN A 473 5.928 6.068 -0.777 1.00 0.00 H new ATOM 0 HA GLN A 473 3.844 5.932 1.380 1.00 0.00 H new ATOM 0 HB2 GLN A 473 4.489 8.193 0.542 1.00 0.00 H new ATOM 0 HB3 GLN A 473 4.132 7.697 -1.100 1.00 0.00 H new ATOM 0 HG2 GLN A 473 1.763 7.320 -0.539 1.00 0.00 H new ATOM 0 HG3 GLN A 473 2.076 7.588 1.164 1.00 0.00 H new ATOM 0 HE21 GLN A 473 0.179 9.200 -0.241 1.00 0.00 H new ATOM 0 HE22 GLN A 473 0.823 10.841 -0.357 1.00 0.00 H new ATOM 871 N VAL A 474 2.350 4.427 0.040 1.00 0.00 N ATOM 872 CA VAL A 474 1.488 3.499 -0.756 1.00 0.00 C ATOM 873 C VAL A 474 0.138 4.152 -1.049 1.00 0.00 C ATOM 874 O VAL A 474 -0.510 4.689 -0.172 1.00 0.00 O ATOM 875 CB VAL A 474 1.265 2.215 0.042 1.00 0.00 C ATOM 876 CG1 VAL A 474 0.532 1.190 -0.825 1.00 0.00 C ATOM 877 CG2 VAL A 474 2.619 1.646 0.465 1.00 0.00 C ATOM 0 H VAL A 474 2.173 4.424 1.045 1.00 0.00 H new ATOM 0 HA VAL A 474 1.984 3.272 -1.700 1.00 0.00 H new ATOM 0 HB VAL A 474 0.664 2.435 0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 474 0.375 0.276 -0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 474 -0.432 1.596 -1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 474 1.130 0.967 -1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 474 2.466 0.729 1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 474 3.215 1.427 -0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 474 3.143 2.375 1.083 1.00 0.00 H new ATOM 887 N GLU A 475 -0.292 4.094 -2.282 1.00 0.00 N ATOM 888 CA GLU A 475 -1.608 4.688 -2.670 1.00 0.00 C ATOM 889 C GLU A 475 -2.357 3.679 -3.541 1.00 0.00 C ATOM 890 O GLU A 475 -1.767 2.993 -4.352 1.00 0.00 O ATOM 891 CB GLU A 475 -1.372 5.977 -3.460 1.00 0.00 C ATOM 892 CG GLU A 475 -2.716 6.608 -3.826 1.00 0.00 C ATOM 893 CD GLU A 475 -2.475 7.932 -4.554 1.00 0.00 C ATOM 894 OE1 GLU A 475 -1.361 8.422 -4.495 1.00 0.00 O ATOM 895 OE2 GLU A 475 -3.410 8.430 -5.159 1.00 0.00 O ATOM 0 H GLU A 475 0.219 3.655 -3.048 1.00 0.00 H new ATOM 0 HA GLU A 475 -2.194 4.919 -1.781 1.00 0.00 H new ATOM 0 HB2 GLU A 475 -0.780 6.675 -2.868 1.00 0.00 H new ATOM 0 HB3 GLU A 475 -0.802 5.762 -4.364 1.00 0.00 H new ATOM 0 HG2 GLU A 475 -3.288 5.930 -4.460 1.00 0.00 H new ATOM 0 HG3 GLU A 475 -3.308 6.778 -2.926 1.00 0.00 H new ATOM 902 N VAL A 476 -3.652 3.578 -3.374 1.00 0.00 N ATOM 903 CA VAL A 476 -4.455 2.603 -4.182 1.00 0.00 C ATOM 904 C VAL A 476 -5.320 3.360 -5.189 1.00 0.00 C ATOM 905 O VAL A 476 -6.006 4.304 -4.851 1.00 0.00 O ATOM 906 CB VAL A 476 -5.347 1.779 -3.251 1.00 0.00 C ATOM 907 CG1 VAL A 476 -4.478 0.798 -2.461 1.00 0.00 C ATOM 908 CG2 VAL A 476 -6.084 2.705 -2.275 1.00 0.00 C ATOM 0 H VAL A 476 -4.193 4.131 -2.709 1.00 0.00 H new ATOM 0 HA VAL A 476 -3.781 1.936 -4.719 1.00 0.00 H new ATOM 0 HB VAL A 476 -6.079 1.232 -3.845 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.108 0.208 -1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -3.958 0.134 -3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -3.747 1.352 -1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -6.717 2.110 -1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -5.358 3.258 -1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -6.702 3.406 -2.835 1.00 0.00 H new ATOM 918 N LEU A 477 -5.284 2.950 -6.427 1.00 0.00 N ATOM 919 CA LEU A 477 -6.092 3.636 -7.476 1.00 0.00 C ATOM 920 C LEU A 477 -7.484 3.005 -7.537 1.00 0.00 C ATOM 921 O LEU A 477 -7.634 1.801 -7.468 1.00 0.00 O ATOM 922 CB LEU A 477 -5.398 3.469 -8.828 1.00 0.00 C ATOM 923 CG LEU A 477 -3.973 4.033 -8.752 1.00 0.00 C ATOM 924 CD1 LEU A 477 -3.276 3.818 -10.098 1.00 0.00 C ATOM 925 CD2 LEU A 477 -4.015 5.535 -8.423 1.00 0.00 C ATOM 0 H LEU A 477 -4.726 2.164 -6.760 1.00 0.00 H new ATOM 0 HA LEU A 477 -6.184 4.696 -7.238 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -5.368 2.415 -9.104 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -5.963 3.986 -9.604 1.00 0.00 H new ATOM 0 HG LEU A 477 -3.422 3.517 -7.965 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -2.263 4.217 -10.051 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -3.236 2.752 -10.321 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -3.832 4.332 -10.882 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -2.998 5.925 -8.372 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -4.567 6.063 -9.201 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -4.510 5.684 -7.463 1.00 0.00 H new ATOM 937 N SER A 478 -8.506 3.815 -7.662 1.00 0.00 N ATOM 938 CA SER A 478 -9.901 3.280 -7.724 1.00 0.00 C ATOM 939 C SER A 478 -10.685 4.012 -8.813 1.00 0.00 C ATOM 940 O SER A 478 -10.349 5.112 -9.208 1.00 0.00 O ATOM 941 CB SER A 478 -10.582 3.494 -6.374 1.00 0.00 C ATOM 942 OG SER A 478 -10.713 4.888 -6.130 1.00 0.00 O ATOM 0 H SER A 478 -8.433 4.830 -7.724 1.00 0.00 H new ATOM 0 HA SER A 478 -9.873 2.215 -7.956 1.00 0.00 H new ATOM 0 HB2 SER A 478 -11.563 3.018 -6.369 1.00 0.00 H new ATOM 0 HB3 SER A 478 -9.998 3.028 -5.581 1.00 0.00 H new ATOM 0 HG SER A 478 -11.151 5.029 -5.265 1.00 0.00 H new