USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 419 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: C 467 MET CE :methyl -179:sc= -1.45 (180deg=-1.58) USER MOD Set 1.2: C 490 THR OG1 : rot 87:sc= 1.21 USER MOD Set 2.1: C 483 THR OG1 : rot -118:sc= 1.21 USER MOD Set 2.2: C 489 THR OG1 : rot -58:sc= 1.27 USER MOD Set 3.1: C 454 ASN : amide:sc= 1.13 K(o=0.77,f=-1.7) USER MOD Set 3.2: C 481 GLN : amide:sc= -0.36 K(o=0.77,f=-1.7) USER MOD Single : C 453 SER OG : rot 39:sc= 0.121 USER MOD Single : C 455 SER OG : rot 180:sc= 0 USER MOD Single : C 456 GLN : amide:sc= -1.43 K(o=-1.4,f=-3.6) USER MOD Single : C 458 ASN : amide:sc= -0.159 K(o=-0.16,f=-3.8!) USER MOD Single : C 460 MET CE :methyl 165:sc= -3.63 (180deg=-4.25!) USER MOD Single : C 462 HIS : no HE2:sc= 0.244 K(o=0.24,f=-2.6!) USER MOD Single : C 463 GLN : amide:sc= -0.161 K(o=-0.16,f=-1.1) USER MOD Single : C 465 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.4!) USER MOD Single : C 470 GLN : amide:sc= -1.03 K(o=-1,f=-2.7!) USER MOD Single : C 473 TYR OH : rot -4:sc= 0.103 USER MOD Single : C 474 HIS : no HD1:sc= 0 X(o=0,f=-0.00032) USER MOD Single : C 478 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : C 485 SER OG : rot -2:sc= 0.381 USER MOD Single : C 492 ASN : amide:sc= -2.2 K(o=-2.2,f=-2.9!) USER MOD Single : C 499 GLN : amide:sc=-0.00874 K(o=-0.0087,f=-1) USER MOD Single : C 504 THR OG1 : rot -5:sc= 0.148 USER MOD ----------------------------------------------------------------- ATOM 1 N SER C 453 -8.107 2.979 4.873 1.00 0.00 N ATOM 2 CA SER C 453 -8.948 3.098 6.073 1.00 0.00 C ATOM 3 C SER C 453 -9.840 1.863 6.263 1.00 0.00 C ATOM 4 O SER C 453 -10.876 1.934 6.922 1.00 0.00 O ATOM 5 CB SER C 453 -9.806 4.360 5.972 1.00 0.00 C ATOM 6 OG SER C 453 -8.993 5.511 5.778 1.00 0.00 O ATOM 0 HA SER C 453 -8.294 3.167 6.943 1.00 0.00 H new ATOM 0 HB2 SER C 453 -10.508 4.262 5.144 1.00 0.00 H new ATOM 0 HB3 SER C 453 -10.398 4.476 6.880 1.00 0.00 H new ATOM 0 HG SER C 453 -8.254 5.292 5.172 1.00 0.00 H new ATOM 14 N ASN C 454 -9.421 0.724 5.712 1.00 0.00 N ATOM 15 CA ASN C 454 -10.204 -0.514 5.811 1.00 0.00 C ATOM 16 C ASN C 454 -9.753 -1.374 6.983 1.00 0.00 C ATOM 17 O ASN C 454 -10.123 -2.543 7.076 1.00 0.00 O ATOM 18 CB ASN C 454 -10.113 -1.324 4.517 1.00 0.00 C ATOM 19 CG ASN C 454 -11.137 -0.908 3.483 1.00 0.00 C ATOM 20 OD1 ASN C 454 -11.572 0.245 3.440 1.00 0.00 O ATOM 21 ND2 ASN C 454 -11.524 -1.843 2.643 1.00 0.00 N ATOM 0 H ASN C 454 -8.548 0.630 5.194 1.00 0.00 H new ATOM 0 HA ASN C 454 -11.240 -0.221 5.978 1.00 0.00 H new ATOM 0 HB2 ASN C 454 -9.114 -1.213 4.095 1.00 0.00 H new ATOM 0 HB3 ASN C 454 -10.246 -2.381 4.747 1.00 0.00 H new ATOM 0 HD21 ASN C 454 -12.210 -1.627 1.920 1.00 0.00 H new ATOM 0 HD22 ASN C 454 -11.138 -2.784 2.715 1.00 0.00 H new ATOM 28 N SER C 455 -8.978 -0.787 7.882 1.00 0.00 N ATOM 29 CA SER C 455 -8.453 -1.503 9.040 1.00 0.00 C ATOM 30 C SER C 455 -9.571 -2.124 9.885 1.00 0.00 C ATOM 31 O SER C 455 -9.414 -3.223 10.422 1.00 0.00 O ATOM 32 CB SER C 455 -7.604 -0.563 9.888 1.00 0.00 C ATOM 33 OG SER C 455 -6.581 0.029 9.102 1.00 0.00 O ATOM 0 H SER C 455 -8.695 0.192 7.833 1.00 0.00 H new ATOM 0 HA SER C 455 -7.833 -2.321 8.674 1.00 0.00 H new ATOM 0 HB2 SER C 455 -8.234 0.214 10.321 1.00 0.00 H new ATOM 0 HB3 SER C 455 -7.161 -1.113 10.718 1.00 0.00 H new ATOM 0 HG SER C 455 -6.046 0.631 9.661 1.00 0.00 H new ATOM 39 N GLN C 456 -10.700 -1.430 9.987 1.00 0.00 N ATOM 40 CA GLN C 456 -11.824 -1.927 10.765 1.00 0.00 C ATOM 41 C GLN C 456 -12.499 -3.086 10.040 1.00 0.00 C ATOM 42 O GLN C 456 -12.799 -4.116 10.643 1.00 0.00 O ATOM 43 CB GLN C 456 -12.855 -0.816 11.054 1.00 0.00 C ATOM 44 CG GLN C 456 -12.307 0.407 11.795 1.00 0.00 C ATOM 45 CD GLN C 456 -11.526 1.359 10.900 1.00 0.00 C ATOM 46 OE1 GLN C 456 -10.307 1.240 10.748 1.00 0.00 O ATOM 47 NE2 GLN C 456 -12.217 2.310 10.307 1.00 0.00 N ATOM 0 H GLN C 456 -10.858 -0.526 9.542 1.00 0.00 H new ATOM 0 HA GLN C 456 -11.432 -2.277 11.720 1.00 0.00 H new ATOM 0 HB2 GLN C 456 -13.284 -0.485 10.108 1.00 0.00 H new ATOM 0 HB3 GLN C 456 -13.669 -1.242 11.641 1.00 0.00 H new ATOM 0 HG2 GLN C 456 -13.136 0.948 12.251 1.00 0.00 H new ATOM 0 HG3 GLN C 456 -11.661 0.071 12.606 1.00 0.00 H new ATOM 0 HE21 GLN C 456 -13.224 2.378 10.456 1.00 0.00 H new ATOM 0 HE22 GLN C 456 -11.746 2.979 9.698 1.00 0.00 H new ATOM 56 N LEU C 457 -12.718 -2.917 8.739 1.00 0.00 N ATOM 57 CA LEU C 457 -13.359 -3.951 7.928 1.00 0.00 C ATOM 58 C LEU C 457 -12.517 -5.216 7.904 1.00 0.00 C ATOM 59 O LEU C 457 -13.037 -6.318 8.084 1.00 0.00 O ATOM 60 CB LEU C 457 -13.597 -3.462 6.493 1.00 0.00 C ATOM 61 CG LEU C 457 -14.416 -2.175 6.340 1.00 0.00 C ATOM 62 CD1 LEU C 457 -14.746 -1.928 4.887 1.00 0.00 C ATOM 63 CD2 LEU C 457 -15.682 -2.230 7.171 1.00 0.00 C ATOM 0 H LEU C 457 -12.462 -2.075 8.223 1.00 0.00 H new ATOM 0 HA LEU C 457 -14.323 -4.174 8.384 1.00 0.00 H new ATOM 0 HB2 LEU C 457 -12.628 -3.309 6.019 1.00 0.00 H new ATOM 0 HB3 LEU C 457 -14.100 -4.255 5.940 1.00 0.00 H new ATOM 0 HG LEU C 457 -13.811 -1.346 6.706 1.00 0.00 H new ATOM 0 HD11 LEU C 457 -15.328 -1.011 4.797 1.00 0.00 H new ATOM 0 HD12 LEU C 457 -13.823 -1.830 4.316 1.00 0.00 H new ATOM 0 HD13 LEU C 457 -15.326 -2.765 4.498 1.00 0.00 H new ATOM 0 HD21 LEU C 457 -16.242 -1.304 7.042 1.00 0.00 H new ATOM 0 HD22 LEU C 457 -16.294 -3.072 6.847 1.00 0.00 H new ATOM 0 HD23 LEU C 457 -15.422 -2.354 8.222 1.00 0.00 H new ATOM 75 N ASN C 458 -11.213 -5.048 7.699 1.00 0.00 N ATOM 76 CA ASN C 458 -10.282 -6.177 7.660 1.00 0.00 C ATOM 77 C ASN C 458 -10.282 -6.920 8.986 1.00 0.00 C ATOM 78 O ASN C 458 -10.230 -8.149 9.020 1.00 0.00 O ATOM 79 CB ASN C 458 -8.856 -5.709 7.326 1.00 0.00 C ATOM 80 CG ASN C 458 -8.715 -5.174 5.909 1.00 0.00 C ATOM 81 OD1 ASN C 458 -9.426 -5.590 4.996 1.00 0.00 O ATOM 82 ND2 ASN C 458 -7.791 -4.255 5.714 1.00 0.00 N ATOM 0 H ASN C 458 -10.774 -4.138 7.557 1.00 0.00 H new ATOM 0 HA ASN C 458 -10.618 -6.853 6.874 1.00 0.00 H new ATOM 0 HB2 ASN C 458 -8.561 -4.932 8.031 1.00 0.00 H new ATOM 0 HB3 ASN C 458 -8.166 -6.542 7.463 1.00 0.00 H new ATOM 0 HD21 ASN C 458 -7.648 -3.866 4.782 1.00 0.00 H new ATOM 0 HD22 ASN C 458 -7.219 -3.933 6.495 1.00 0.00 H new ATOM 89 N ALA C 459 -10.357 -6.169 10.078 1.00 0.00 N ATOM 90 CA ALA C 459 -10.376 -6.751 11.410 1.00 0.00 C ATOM 91 C ALA C 459 -11.651 -7.553 11.634 1.00 0.00 C ATOM 92 O ALA C 459 -11.602 -8.682 12.126 1.00 0.00 O ATOM 93 CB ALA C 459 -10.236 -5.668 12.465 1.00 0.00 C ATOM 0 H ALA C 459 -10.406 -5.150 10.064 1.00 0.00 H new ATOM 0 HA ALA C 459 -9.528 -7.431 11.496 1.00 0.00 H new ATOM 0 HB1 ALA C 459 -10.252 -6.121 13.456 1.00 0.00 H new ATOM 0 HB2 ALA C 459 -9.293 -5.141 12.322 1.00 0.00 H new ATOM 0 HB3 ALA C 459 -11.063 -4.963 12.375 1.00 0.00 H new ATOM 99 N MET C 460 -12.791 -6.968 11.269 1.00 0.00 N ATOM 100 CA MET C 460 -14.078 -7.636 11.427 1.00 0.00 C ATOM 101 C MET C 460 -14.137 -8.899 10.585 1.00 0.00 C ATOM 102 O MET C 460 -14.479 -9.975 11.082 1.00 0.00 O ATOM 103 CB MET C 460 -15.233 -6.705 11.045 1.00 0.00 C ATOM 104 CG MET C 460 -15.348 -5.464 11.914 1.00 0.00 C ATOM 105 SD MET C 460 -16.893 -4.577 11.651 1.00 0.00 S ATOM 106 CE MET C 460 -16.684 -4.060 9.957 1.00 0.00 C ATOM 0 H MET C 460 -12.848 -6.034 10.863 1.00 0.00 H new ATOM 0 HA MET C 460 -14.181 -7.906 12.478 1.00 0.00 H new ATOM 0 HB2 MET C 460 -15.108 -6.397 10.007 1.00 0.00 H new ATOM 0 HB3 MET C 460 -16.168 -7.262 11.102 1.00 0.00 H new ATOM 0 HG2 MET C 460 -15.272 -5.751 12.963 1.00 0.00 H new ATOM 0 HG3 MET C 460 -14.511 -4.799 11.704 1.00 0.00 H new ATOM 0 HE1 MET C 460 -17.644 -3.735 9.555 1.00 0.00 H new ATOM 0 HE2 MET C 460 -15.974 -3.234 9.914 1.00 0.00 H new ATOM 0 HE3 MET C 460 -16.306 -4.894 9.366 1.00 0.00 H new ATOM 116 N ALA C 461 -13.780 -8.769 9.315 1.00 0.00 N ATOM 117 CA ALA C 461 -13.791 -9.893 8.393 1.00 0.00 C ATOM 118 C ALA C 461 -12.833 -10.982 8.849 1.00 0.00 C ATOM 119 O ALA C 461 -13.083 -12.171 8.646 1.00 0.00 O ATOM 120 CB ALA C 461 -13.430 -9.427 6.995 1.00 0.00 C ATOM 0 H ALA C 461 -13.477 -7.889 8.898 1.00 0.00 H new ATOM 0 HA ALA C 461 -14.797 -10.311 8.378 1.00 0.00 H new ATOM 0 HB1 ALA C 461 -13.442 -10.278 6.314 1.00 0.00 H new ATOM 0 HB2 ALA C 461 -14.154 -8.684 6.661 1.00 0.00 H new ATOM 0 HB3 ALA C 461 -12.434 -8.984 7.005 1.00 0.00 H new ATOM 126 N HIS C 462 -11.741 -10.567 9.477 1.00 0.00 N ATOM 127 CA HIS C 462 -10.745 -11.497 9.979 1.00 0.00 C ATOM 128 C HIS C 462 -11.365 -12.436 10.999 1.00 0.00 C ATOM 129 O HIS C 462 -11.109 -13.630 10.977 1.00 0.00 O ATOM 130 CB HIS C 462 -9.576 -10.742 10.620 1.00 0.00 C ATOM 131 CG HIS C 462 -8.327 -11.563 10.781 1.00 0.00 C ATOM 132 ND1 HIS C 462 -8.325 -12.938 10.939 1.00 0.00 N ATOM 133 CD2 HIS C 462 -7.030 -11.194 10.782 1.00 0.00 C ATOM 134 CE1 HIS C 462 -7.086 -13.366 11.027 1.00 0.00 C ATOM 135 NE2 HIS C 462 -6.281 -12.330 10.933 1.00 0.00 N ATOM 0 H HIS C 462 -11.524 -9.586 9.650 1.00 0.00 H new ATOM 0 HA HIS C 462 -10.371 -12.079 9.137 1.00 0.00 H new ATOM 0 HB2 HIS C 462 -9.346 -9.867 10.012 1.00 0.00 H new ATOM 0 HB3 HIS C 462 -9.887 -10.378 11.599 1.00 0.00 H new ATOM 0 HD1 HIS C 462 -9.156 -13.527 10.981 1.00 0.00 H new ATOM 0 HD2 HIS C 462 -6.652 -10.187 10.682 1.00 0.00 H new ATOM 0 HE1 HIS C 462 -6.780 -14.394 11.155 1.00 0.00 H new ATOM 144 N GLN C 463 -12.196 -11.888 11.874 1.00 0.00 N ATOM 145 CA GLN C 463 -12.819 -12.677 12.937 1.00 0.00 C ATOM 146 C GLN C 463 -13.825 -13.649 12.364 1.00 0.00 C ATOM 147 O GLN C 463 -14.005 -14.753 12.882 1.00 0.00 O ATOM 148 CB GLN C 463 -13.485 -11.763 13.968 1.00 0.00 C ATOM 149 CG GLN C 463 -12.606 -10.597 14.389 1.00 0.00 C ATOM 150 CD GLN C 463 -11.184 -11.020 14.713 1.00 0.00 C ATOM 151 OE1 GLN C 463 -10.944 -12.109 15.232 1.00 0.00 O ATOM 152 NE2 GLN C 463 -10.234 -10.182 14.363 1.00 0.00 N ATOM 0 H GLN C 463 -12.457 -10.902 11.872 1.00 0.00 H new ATOM 0 HA GLN C 463 -12.037 -13.249 13.437 1.00 0.00 H new ATOM 0 HB2 GLN C 463 -14.416 -11.377 13.554 1.00 0.00 H new ATOM 0 HB3 GLN C 463 -13.747 -12.349 14.849 1.00 0.00 H new ATOM 0 HG2 GLN C 463 -12.587 -9.855 13.590 1.00 0.00 H new ATOM 0 HG3 GLN C 463 -13.045 -10.114 15.262 1.00 0.00 H new ATOM 0 HE21 GLN C 463 -10.475 -9.288 13.935 1.00 0.00 H new ATOM 0 HE22 GLN C 463 -9.256 -10.426 14.519 1.00 0.00 H new ATOM 161 N ILE C 464 -14.470 -13.243 11.287 1.00 0.00 N ATOM 162 CA ILE C 464 -15.418 -14.103 10.608 1.00 0.00 C ATOM 163 C ILE C 464 -14.683 -15.261 9.962 1.00 0.00 C ATOM 164 O ILE C 464 -15.143 -16.388 9.993 1.00 0.00 O ATOM 165 CB ILE C 464 -16.219 -13.338 9.540 1.00 0.00 C ATOM 166 CG1 ILE C 464 -16.876 -12.114 10.169 1.00 0.00 C ATOM 167 CG2 ILE C 464 -17.270 -14.249 8.914 1.00 0.00 C ATOM 168 CD1 ILE C 464 -17.594 -11.223 9.186 1.00 0.00 C ATOM 0 H ILE C 464 -14.354 -12.322 10.864 1.00 0.00 H new ATOM 0 HA ILE C 464 -16.123 -14.476 11.351 1.00 0.00 H new ATOM 0 HB ILE C 464 -15.541 -13.008 8.753 1.00 0.00 H new ATOM 0 HG12 ILE C 464 -17.586 -12.446 10.927 1.00 0.00 H new ATOM 0 HG13 ILE C 464 -16.112 -11.529 10.682 1.00 0.00 H new ATOM 0 HG21 ILE C 464 -17.829 -13.695 8.160 1.00 0.00 H new ATOM 0 HG22 ILE C 464 -16.780 -15.103 8.447 1.00 0.00 H new ATOM 0 HG23 ILE C 464 -17.953 -14.601 9.687 1.00 0.00 H new ATOM 0 HD11 ILE C 464 -18.033 -10.377 9.715 1.00 0.00 H new ATOM 0 HD12 ILE C 464 -16.886 -10.858 8.441 1.00 0.00 H new ATOM 0 HD13 ILE C 464 -18.383 -11.789 8.690 1.00 0.00 H new ATOM 180 N GLN C 465 -13.519 -14.970 9.399 1.00 0.00 N ATOM 181 CA GLN C 465 -12.684 -15.993 8.780 1.00 0.00 C ATOM 182 C GLN C 465 -12.160 -16.965 9.847 1.00 0.00 C ATOM 183 O GLN C 465 -11.857 -18.121 9.558 1.00 0.00 O ATOM 184 CB GLN C 465 -11.520 -15.337 8.029 1.00 0.00 C ATOM 185 CG GLN C 465 -10.625 -16.312 7.267 1.00 0.00 C ATOM 186 CD GLN C 465 -11.365 -17.123 6.208 1.00 0.00 C ATOM 187 OE1 GLN C 465 -10.994 -18.256 5.915 1.00 0.00 O ATOM 188 NE2 GLN C 465 -12.405 -16.551 5.625 1.00 0.00 N ATOM 0 H GLN C 465 -13.129 -14.029 9.357 1.00 0.00 H new ATOM 0 HA GLN C 465 -13.284 -16.557 8.065 1.00 0.00 H new ATOM 0 HB2 GLN C 465 -11.923 -14.609 7.325 1.00 0.00 H new ATOM 0 HB3 GLN C 465 -10.909 -14.786 8.743 1.00 0.00 H new ATOM 0 HG2 GLN C 465 -9.820 -15.754 6.788 1.00 0.00 H new ATOM 0 HG3 GLN C 465 -10.160 -16.996 7.977 1.00 0.00 H new ATOM 0 HE21 GLN C 465 -12.685 -15.608 5.894 1.00 0.00 H new ATOM 0 HE22 GLN C 465 -12.927 -17.053 4.907 1.00 0.00 H new ATOM 197 N GLU C 466 -12.057 -16.481 11.079 1.00 0.00 N ATOM 198 CA GLU C 466 -11.620 -17.305 12.194 1.00 0.00 C ATOM 199 C GLU C 466 -12.730 -18.273 12.600 1.00 0.00 C ATOM 200 O GLU C 466 -12.466 -19.397 13.028 1.00 0.00 O ATOM 201 CB GLU C 466 -11.229 -16.427 13.387 1.00 0.00 C ATOM 202 CG GLU C 466 -10.114 -15.436 13.095 1.00 0.00 C ATOM 203 CD GLU C 466 -8.842 -16.096 12.615 1.00 0.00 C ATOM 204 OE1 GLU C 466 -8.025 -16.509 13.463 1.00 0.00 O ATOM 205 OE2 GLU C 466 -8.647 -16.193 11.388 1.00 0.00 O ATOM 0 H GLU C 466 -12.272 -15.516 11.330 1.00 0.00 H new ATOM 0 HA GLU C 466 -10.747 -17.878 11.880 1.00 0.00 H new ATOM 0 HB2 GLU C 466 -12.109 -15.878 13.723 1.00 0.00 H new ATOM 0 HB3 GLU C 466 -10.921 -17.070 14.211 1.00 0.00 H new ATOM 0 HG2 GLU C 466 -10.455 -14.727 12.340 1.00 0.00 H new ATOM 0 HG3 GLU C 466 -9.900 -14.863 13.997 1.00 0.00 H new ATOM 212 N MET C 467 -13.971 -17.825 12.456 1.00 0.00 N ATOM 213 CA MET C 467 -15.128 -18.640 12.793 1.00 0.00 C ATOM 214 C MET C 467 -15.523 -19.528 11.622 1.00 0.00 C ATOM 215 O MET C 467 -15.741 -20.725 11.781 1.00 0.00 O ATOM 216 CB MET C 467 -16.320 -17.753 13.167 1.00 0.00 C ATOM 217 CG MET C 467 -16.114 -16.904 14.405 1.00 0.00 C ATOM 218 SD MET C 467 -17.572 -15.917 14.822 1.00 0.00 S ATOM 219 CE MET C 467 -17.709 -14.867 13.375 1.00 0.00 C ATOM 0 H MET C 467 -14.201 -16.895 12.106 1.00 0.00 H new ATOM 0 HA MET C 467 -14.856 -19.264 13.644 1.00 0.00 H new ATOM 0 HB2 MET C 467 -16.545 -17.097 12.326 1.00 0.00 H new ATOM 0 HB3 MET C 467 -17.194 -18.387 13.319 1.00 0.00 H new ATOM 0 HG2 MET C 467 -15.864 -17.550 15.247 1.00 0.00 H new ATOM 0 HG3 MET C 467 -15.263 -16.241 14.249 1.00 0.00 H new ATOM 0 HE1 MET C 467 -18.555 -14.190 13.496 1.00 0.00 H new ATOM 0 HE2 MET C 467 -16.794 -14.287 13.258 1.00 0.00 H new ATOM 0 HE3 MET C 467 -17.862 -15.485 12.490 1.00 0.00 H new ATOM 229 N PHE C 468 -15.605 -18.930 10.449 1.00 0.00 N ATOM 230 CA PHE C 468 -16.034 -19.622 9.255 1.00 0.00 C ATOM 231 C PHE C 468 -14.983 -19.527 8.151 1.00 0.00 C ATOM 232 O PHE C 468 -15.085 -18.689 7.255 1.00 0.00 O ATOM 233 CB PHE C 468 -17.362 -19.034 8.761 1.00 0.00 C ATOM 234 CG PHE C 468 -18.493 -19.184 9.740 1.00 0.00 C ATOM 235 CD1 PHE C 468 -19.282 -20.318 9.735 1.00 0.00 C ATOM 236 CD2 PHE C 468 -18.765 -18.190 10.662 1.00 0.00 C ATOM 237 CE1 PHE C 468 -20.321 -20.459 10.632 1.00 0.00 C ATOM 238 CE2 PHE C 468 -19.802 -18.326 11.561 1.00 0.00 C ATOM 239 CZ PHE C 468 -20.580 -19.461 11.548 1.00 0.00 C ATOM 0 H PHE C 468 -15.375 -17.948 10.300 1.00 0.00 H new ATOM 0 HA PHE C 468 -16.170 -20.674 9.504 1.00 0.00 H new ATOM 0 HB2 PHE C 468 -17.221 -17.976 8.542 1.00 0.00 H new ATOM 0 HB3 PHE C 468 -17.638 -19.519 7.825 1.00 0.00 H new ATOM 0 HD1 PHE C 468 -19.083 -21.103 9.021 1.00 0.00 H new ATOM 0 HD2 PHE C 468 -18.158 -17.297 10.678 1.00 0.00 H new ATOM 0 HE1 PHE C 468 -20.931 -21.350 10.617 1.00 0.00 H new ATOM 0 HE2 PHE C 468 -20.004 -17.542 12.275 1.00 0.00 H new ATOM 0 HZ PHE C 468 -21.391 -19.570 12.253 1.00 0.00 H new ATOM 249 N PRO C 469 -13.951 -20.383 8.208 1.00 0.00 N ATOM 250 CA PRO C 469 -12.894 -20.420 7.201 1.00 0.00 C ATOM 251 C PRO C 469 -13.376 -21.077 5.918 1.00 0.00 C ATOM 252 O PRO C 469 -12.657 -21.142 4.923 1.00 0.00 O ATOM 253 CB PRO C 469 -11.792 -21.281 7.845 1.00 0.00 C ATOM 254 CG PRO C 469 -12.230 -21.505 9.253 1.00 0.00 C ATOM 255 CD PRO C 469 -13.717 -21.353 9.266 1.00 0.00 C ATOM 0 HA PRO C 469 -12.557 -19.420 6.928 1.00 0.00 H new ATOM 0 HB2 PRO C 469 -11.674 -22.227 7.316 1.00 0.00 H new ATOM 0 HB3 PRO C 469 -10.828 -20.774 7.810 1.00 0.00 H new ATOM 0 HG2 PRO C 469 -11.939 -22.498 9.596 1.00 0.00 H new ATOM 0 HG3 PRO C 469 -11.761 -20.785 9.924 1.00 0.00 H new ATOM 0 HD2 PRO C 469 -14.222 -22.298 9.067 1.00 0.00 H new ATOM 0 HD3 PRO C 469 -14.079 -20.995 10.230 1.00 0.00 H new ATOM 263 N GLN C 470 -14.604 -21.567 5.963 1.00 0.00 N ATOM 264 CA GLN C 470 -15.218 -22.245 4.835 1.00 0.00 C ATOM 265 C GLN C 470 -15.421 -21.298 3.644 1.00 0.00 C ATOM 266 O GLN C 470 -15.456 -21.741 2.497 1.00 0.00 O ATOM 267 CB GLN C 470 -16.554 -22.872 5.249 1.00 0.00 C ATOM 268 CG GLN C 470 -17.590 -21.865 5.722 1.00 0.00 C ATOM 269 CD GLN C 470 -18.930 -22.499 6.032 1.00 0.00 C ATOM 270 OE1 GLN C 470 -19.302 -23.515 5.444 1.00 0.00 O ATOM 271 NE2 GLN C 470 -19.673 -21.896 6.940 1.00 0.00 N ATOM 0 H GLN C 470 -15.204 -21.505 6.785 1.00 0.00 H new ATOM 0 HA GLN C 470 -14.538 -23.035 4.518 1.00 0.00 H new ATOM 0 HB2 GLN C 470 -16.961 -23.426 4.403 1.00 0.00 H new ATOM 0 HB3 GLN C 470 -16.373 -23.594 6.046 1.00 0.00 H new ATOM 0 HG2 GLN C 470 -17.218 -21.360 6.613 1.00 0.00 H new ATOM 0 HG3 GLN C 470 -17.724 -21.102 4.956 1.00 0.00 H new ATOM 0 HE21 GLN C 470 -19.329 -21.056 7.405 1.00 0.00 H new ATOM 0 HE22 GLN C 470 -20.592 -22.270 7.177 1.00 0.00 H new ATOM 280 N VAL C 471 -15.555 -20.003 3.917 1.00 0.00 N ATOM 281 CA VAL C 471 -15.751 -19.031 2.857 1.00 0.00 C ATOM 282 C VAL C 471 -14.465 -18.235 2.606 1.00 0.00 C ATOM 283 O VAL C 471 -13.597 -18.148 3.480 1.00 0.00 O ATOM 284 CB VAL C 471 -16.909 -18.049 3.169 1.00 0.00 C ATOM 285 CG1 VAL C 471 -18.203 -18.792 3.438 1.00 0.00 C ATOM 286 CG2 VAL C 471 -16.555 -17.141 4.327 1.00 0.00 C ATOM 0 H VAL C 471 -15.531 -19.609 4.858 1.00 0.00 H new ATOM 0 HA VAL C 471 -16.015 -19.594 1.962 1.00 0.00 H new ATOM 0 HB VAL C 471 -17.061 -17.426 2.287 1.00 0.00 H new ATOM 0 HG11 VAL C 471 -18.996 -18.076 3.654 1.00 0.00 H new ATOM 0 HG12 VAL C 471 -18.474 -19.380 2.561 1.00 0.00 H new ATOM 0 HG13 VAL C 471 -18.071 -19.455 4.293 1.00 0.00 H new ATOM 0 HG21 VAL C 471 -17.385 -16.463 4.524 1.00 0.00 H new ATOM 0 HG22 VAL C 471 -16.359 -17.743 5.215 1.00 0.00 H new ATOM 0 HG23 VAL C 471 -15.665 -16.563 4.077 1.00 0.00 H new ATOM 296 N PRO C 472 -14.326 -17.654 1.408 1.00 0.00 N ATOM 297 CA PRO C 472 -13.150 -16.864 1.038 1.00 0.00 C ATOM 298 C PRO C 472 -13.101 -15.544 1.786 1.00 0.00 C ATOM 299 O PRO C 472 -14.088 -14.801 1.827 1.00 0.00 O ATOM 300 CB PRO C 472 -13.338 -16.607 -0.467 1.00 0.00 C ATOM 301 CG PRO C 472 -14.421 -17.539 -0.883 1.00 0.00 C ATOM 302 CD PRO C 472 -15.290 -17.711 0.321 1.00 0.00 C ATOM 0 HA PRO C 472 -12.221 -17.381 1.280 1.00 0.00 H new ATOM 0 HB2 PRO C 472 -13.614 -15.570 -0.659 1.00 0.00 H new ATOM 0 HB3 PRO C 472 -12.418 -16.800 -1.019 1.00 0.00 H new ATOM 0 HG2 PRO C 472 -14.988 -17.132 -1.720 1.00 0.00 H new ATOM 0 HG3 PRO C 472 -14.011 -18.495 -1.210 1.00 0.00 H new ATOM 0 HD2 PRO C 472 -16.038 -16.922 0.399 1.00 0.00 H new ATOM 0 HD3 PRO C 472 -15.827 -18.659 0.303 1.00 0.00 H new ATOM 310 N TYR C 473 -11.946 -15.249 2.350 1.00 0.00 N ATOM 311 CA TYR C 473 -11.733 -14.035 3.137 1.00 0.00 C ATOM 312 C TYR C 473 -12.100 -12.768 2.349 1.00 0.00 C ATOM 313 O TYR C 473 -12.683 -11.836 2.902 1.00 0.00 O ATOM 314 CB TYR C 473 -10.275 -13.978 3.620 1.00 0.00 C ATOM 315 CG TYR C 473 -9.907 -12.717 4.375 1.00 0.00 C ATOM 316 CD1 TYR C 473 -10.541 -12.381 5.567 1.00 0.00 C ATOM 317 CD2 TYR C 473 -8.918 -11.868 3.899 1.00 0.00 C ATOM 318 CE1 TYR C 473 -10.198 -11.234 6.257 1.00 0.00 C ATOM 319 CE2 TYR C 473 -8.570 -10.722 4.581 1.00 0.00 C ATOM 320 CZ TYR C 473 -9.212 -10.408 5.759 1.00 0.00 C ATOM 321 OH TYR C 473 -8.867 -9.260 6.441 1.00 0.00 O ATOM 0 H TYR C 473 -11.120 -15.844 2.279 1.00 0.00 H new ATOM 0 HA TYR C 473 -12.395 -14.072 4.002 1.00 0.00 H new ATOM 0 HB2 TYR C 473 -10.085 -14.838 4.262 1.00 0.00 H new ATOM 0 HB3 TYR C 473 -9.617 -14.074 2.757 1.00 0.00 H new ATOM 0 HD1 TYR C 473 -11.313 -13.027 5.959 1.00 0.00 H new ATOM 0 HD2 TYR C 473 -8.411 -12.110 2.976 1.00 0.00 H new ATOM 0 HE1 TYR C 473 -10.699 -10.986 7.181 1.00 0.00 H new ATOM 0 HE2 TYR C 473 -7.798 -10.073 4.194 1.00 0.00 H new ATOM 0 HH TYR C 473 -9.458 -9.150 7.215 1.00 0.00 H new ATOM 331 N HIS C 474 -11.785 -12.746 1.057 1.00 0.00 N ATOM 332 CA HIS C 474 -12.080 -11.575 0.230 1.00 0.00 C ATOM 333 C HIS C 474 -13.582 -11.362 0.057 1.00 0.00 C ATOM 334 O HIS C 474 -14.035 -10.233 -0.019 1.00 0.00 O ATOM 335 CB HIS C 474 -11.367 -11.634 -1.140 1.00 0.00 C ATOM 336 CG HIS C 474 -11.807 -12.748 -2.060 1.00 0.00 C ATOM 337 ND1 HIS C 474 -11.143 -13.949 -2.166 1.00 0.00 N ATOM 338 CD2 HIS C 474 -12.841 -12.823 -2.929 1.00 0.00 C ATOM 339 CE1 HIS C 474 -11.746 -14.710 -3.054 1.00 0.00 C ATOM 340 NE2 HIS C 474 -12.781 -14.052 -3.534 1.00 0.00 N ATOM 0 H HIS C 474 -11.331 -13.514 0.563 1.00 0.00 H new ATOM 0 HA HIS C 474 -11.684 -10.713 0.766 1.00 0.00 H new ATOM 0 HB2 HIS C 474 -11.522 -10.684 -1.651 1.00 0.00 H new ATOM 0 HB3 HIS C 474 -10.295 -11.732 -0.967 1.00 0.00 H new ATOM 0 HD2 HIS C 474 -13.578 -12.056 -3.113 1.00 0.00 H new ATOM 0 HE1 HIS C 474 -11.443 -15.706 -3.341 1.00 0.00 H new ATOM 0 HE2 HIS C 474 -13.431 -14.399 -4.239 1.00 0.00 H new ATOM 349 N LEU C 475 -14.356 -12.444 0.008 1.00 0.00 N ATOM 350 CA LEU C 475 -15.804 -12.317 -0.123 1.00 0.00 C ATOM 351 C LEU C 475 -16.383 -11.788 1.169 1.00 0.00 C ATOM 352 O LEU C 475 -17.424 -11.131 1.177 1.00 0.00 O ATOM 353 CB LEU C 475 -16.458 -13.653 -0.488 1.00 0.00 C ATOM 354 CG LEU C 475 -16.155 -14.195 -1.888 1.00 0.00 C ATOM 355 CD1 LEU C 475 -16.995 -15.422 -2.173 1.00 0.00 C ATOM 356 CD2 LEU C 475 -16.410 -13.134 -2.943 1.00 0.00 C ATOM 0 H LEU C 475 -14.012 -13.403 0.056 1.00 0.00 H new ATOM 0 HA LEU C 475 -16.013 -11.618 -0.933 1.00 0.00 H new ATOM 0 HB2 LEU C 475 -16.145 -14.399 0.243 1.00 0.00 H new ATOM 0 HB3 LEU C 475 -17.538 -13.544 -0.389 1.00 0.00 H new ATOM 0 HG LEU C 475 -15.102 -14.473 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU C 475 -16.768 -15.795 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU C 475 -16.771 -16.195 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU C 475 -18.052 -15.161 -2.115 1.00 0.00 H new ATOM 0 HD21 LEU C 475 -16.188 -13.541 -3.929 1.00 0.00 H new ATOM 0 HD22 LEU C 475 -17.455 -12.826 -2.904 1.00 0.00 H new ATOM 0 HD23 LEU C 475 -15.770 -12.272 -2.754 1.00 0.00 H new ATOM 368 N VAL C 476 -15.692 -12.066 2.258 1.00 0.00 N ATOM 369 CA VAL C 476 -16.094 -11.562 3.551 1.00 0.00 C ATOM 370 C VAL C 476 -15.832 -10.067 3.579 1.00 0.00 C ATOM 371 O VAL C 476 -16.693 -9.280 3.946 1.00 0.00 O ATOM 372 CB VAL C 476 -15.321 -12.251 4.701 1.00 0.00 C ATOM 373 CG1 VAL C 476 -15.860 -11.813 6.048 1.00 0.00 C ATOM 374 CG2 VAL C 476 -15.394 -13.762 4.570 1.00 0.00 C ATOM 0 H VAL C 476 -14.849 -12.639 2.270 1.00 0.00 H new ATOM 0 HA VAL C 476 -17.153 -11.775 3.700 1.00 0.00 H new ATOM 0 HB VAL C 476 -14.276 -11.949 4.632 1.00 0.00 H new ATOM 0 HG11 VAL C 476 -15.302 -12.310 6.842 1.00 0.00 H new ATOM 0 HG12 VAL C 476 -15.752 -10.733 6.149 1.00 0.00 H new ATOM 0 HG13 VAL C 476 -16.914 -12.081 6.123 1.00 0.00 H new ATOM 0 HG21 VAL C 476 -14.844 -14.225 5.389 1.00 0.00 H new ATOM 0 HG22 VAL C 476 -16.436 -14.080 4.607 1.00 0.00 H new ATOM 0 HG23 VAL C 476 -14.955 -14.066 3.620 1.00 0.00 H new ATOM 384 N LEU C 477 -14.634 -9.689 3.142 1.00 0.00 N ATOM 385 CA LEU C 477 -14.242 -8.290 3.027 1.00 0.00 C ATOM 386 C LEU C 477 -15.241 -7.531 2.163 1.00 0.00 C ATOM 387 O LEU C 477 -15.648 -6.421 2.497 1.00 0.00 O ATOM 388 CB LEU C 477 -12.849 -8.199 2.399 1.00 0.00 C ATOM 389 CG LEU C 477 -11.691 -8.696 3.258 1.00 0.00 C ATOM 390 CD1 LEU C 477 -10.393 -8.648 2.474 1.00 0.00 C ATOM 391 CD2 LEU C 477 -11.574 -7.861 4.519 1.00 0.00 C ATOM 0 H LEU C 477 -13.908 -10.346 2.858 1.00 0.00 H new ATOM 0 HA LEU C 477 -14.226 -7.845 4.022 1.00 0.00 H new ATOM 0 HB2 LEU C 477 -12.854 -8.767 1.469 1.00 0.00 H new ATOM 0 HB3 LEU C 477 -12.659 -7.158 2.136 1.00 0.00 H new ATOM 0 HG LEU C 477 -11.888 -9.730 3.541 1.00 0.00 H new ATOM 0 HD11 LEU C 477 -9.576 -9.006 3.101 1.00 0.00 H new ATOM 0 HD12 LEU C 477 -10.478 -9.282 1.591 1.00 0.00 H new ATOM 0 HD13 LEU C 477 -10.192 -7.622 2.166 1.00 0.00 H new ATOM 0 HD21 LEU C 477 -10.743 -8.227 5.122 1.00 0.00 H new ATOM 0 HD22 LEU C 477 -11.396 -6.820 4.251 1.00 0.00 H new ATOM 0 HD23 LEU C 477 -12.499 -7.935 5.092 1.00 0.00 H new ATOM 403 N GLN C 478 -15.638 -8.151 1.060 1.00 0.00 N ATOM 404 CA GLN C 478 -16.597 -7.561 0.146 1.00 0.00 C ATOM 405 C GLN C 478 -17.930 -7.298 0.828 1.00 0.00 C ATOM 406 O GLN C 478 -18.542 -6.253 0.613 1.00 0.00 O ATOM 407 CB GLN C 478 -16.794 -8.449 -1.074 1.00 0.00 C ATOM 408 CG GLN C 478 -15.611 -8.466 -2.018 1.00 0.00 C ATOM 409 CD GLN C 478 -15.936 -9.106 -3.351 1.00 0.00 C ATOM 410 OE1 GLN C 478 -16.901 -10.002 -3.360 1.00 0.00 O flip ATOM 411 NE2 GLN C 478 -15.328 -8.777 -4.371 1.00 0.00 N flip ATOM 0 H GLN C 478 -15.304 -9.073 0.778 1.00 0.00 H new ATOM 0 HA GLN C 478 -16.192 -6.602 -0.179 1.00 0.00 H new ATOM 0 HB2 GLN C 478 -16.995 -9.467 -0.741 1.00 0.00 H new ATOM 0 HB3 GLN C 478 -17.676 -8.111 -1.618 1.00 0.00 H new ATOM 0 HG2 GLN C 478 -15.269 -7.444 -2.184 1.00 0.00 H new ATOM 0 HG3 GLN C 478 -14.787 -9.006 -1.552 1.00 0.00 H new ATOM 0 HE21 GLN C 478 -14.587 -8.078 -4.320 1.00 0.00 H new ATOM 0 HE22 GLN C 478 -15.566 -9.203 -5.267 1.00 0.00 H new ATOM 420 N ASP C 479 -18.380 -8.235 1.657 1.00 0.00 N ATOM 421 CA ASP C 479 -19.643 -8.056 2.367 1.00 0.00 C ATOM 422 C ASP C 479 -19.487 -6.992 3.442 1.00 0.00 C ATOM 423 O ASP C 479 -20.411 -6.270 3.739 1.00 0.00 O ATOM 424 CB ASP C 479 -20.133 -9.363 2.989 1.00 0.00 C ATOM 425 CG ASP C 479 -21.578 -9.270 3.487 1.00 0.00 C ATOM 426 OD1 ASP C 479 -21.805 -8.739 4.603 1.00 0.00 O ATOM 427 OD2 ASP C 479 -22.491 -9.731 2.764 1.00 0.00 O ATOM 0 H ASP C 479 -17.898 -9.113 1.852 1.00 0.00 H new ATOM 0 HA ASP C 479 -20.391 -7.735 1.642 1.00 0.00 H new ATOM 0 HB2 ASP C 479 -20.057 -10.163 2.253 1.00 0.00 H new ATOM 0 HB3 ASP C 479 -19.482 -9.632 3.821 1.00 0.00 H new ATOM 432 N LEU C 480 -18.299 -6.886 4.005 1.00 0.00 N ATOM 433 CA LEU C 480 -18.024 -5.860 5.005 1.00 0.00 C ATOM 434 C LEU C 480 -17.940 -4.478 4.362 1.00 0.00 C ATOM 435 O LEU C 480 -18.038 -3.465 5.034 1.00 0.00 O ATOM 436 CB LEU C 480 -16.750 -6.165 5.806 1.00 0.00 C ATOM 437 CG LEU C 480 -16.944 -6.967 7.096 1.00 0.00 C ATOM 438 CD1 LEU C 480 -18.077 -6.398 7.919 1.00 0.00 C ATOM 439 CD2 LEU C 480 -17.212 -8.403 6.787 1.00 0.00 C ATOM 0 H LEU C 480 -17.508 -7.493 3.791 1.00 0.00 H new ATOM 0 HA LEU C 480 -18.859 -5.864 5.706 1.00 0.00 H new ATOM 0 HB2 LEU C 480 -16.062 -6.712 5.162 1.00 0.00 H new ATOM 0 HB3 LEU C 480 -16.268 -5.220 6.058 1.00 0.00 H new ATOM 0 HG LEU C 480 -16.023 -6.896 7.675 1.00 0.00 H new ATOM 0 HD11 LEU C 480 -18.195 -6.985 8.830 1.00 0.00 H new ATOM 0 HD12 LEU C 480 -17.853 -5.364 8.180 1.00 0.00 H new ATOM 0 HD13 LEU C 480 -19.001 -6.435 7.341 1.00 0.00 H new ATOM 0 HD21 LEU C 480 -17.347 -8.956 7.716 1.00 0.00 H new ATOM 0 HD22 LEU C 480 -18.116 -8.483 6.183 1.00 0.00 H new ATOM 0 HD23 LEU C 480 -16.369 -8.820 6.236 1.00 0.00 H new ATOM 451 N GLN C 481 -17.760 -4.454 3.059 1.00 0.00 N ATOM 452 CA GLN C 481 -17.772 -3.214 2.301 1.00 0.00 C ATOM 453 C GLN C 481 -19.203 -2.918 1.893 1.00 0.00 C ATOM 454 O GLN C 481 -19.572 -1.789 1.575 1.00 0.00 O ATOM 455 CB GLN C 481 -16.911 -3.359 1.046 1.00 0.00 C ATOM 456 CG GLN C 481 -15.417 -3.422 1.302 1.00 0.00 C ATOM 457 CD GLN C 481 -14.749 -2.056 1.283 1.00 0.00 C ATOM 458 OE1 GLN C 481 -13.589 -1.928 0.901 1.00 0.00 O ATOM 459 NE2 GLN C 481 -15.464 -1.031 1.694 1.00 0.00 N ATOM 0 H GLN C 481 -17.602 -5.288 2.494 1.00 0.00 H new ATOM 0 HA GLN C 481 -17.372 -2.405 2.912 1.00 0.00 H new ATOM 0 HB2 GLN C 481 -17.213 -4.263 0.518 1.00 0.00 H new ATOM 0 HB3 GLN C 481 -17.116 -2.519 0.383 1.00 0.00 H new ATOM 0 HG2 GLN C 481 -15.240 -3.893 2.269 1.00 0.00 H new ATOM 0 HG3 GLN C 481 -14.952 -4.057 0.548 1.00 0.00 H new ATOM 0 HE21 GLN C 481 -16.425 -1.172 2.005 1.00 0.00 H new ATOM 0 HE22 GLN C 481 -15.057 -0.096 1.702 1.00 0.00 H new ATOM 468 N LEU C 482 -19.989 -3.964 1.928 1.00 0.00 N ATOM 469 CA LEU C 482 -21.351 -3.973 1.500 1.00 0.00 C ATOM 470 C LEU C 482 -22.317 -3.679 2.656 1.00 0.00 C ATOM 471 O LEU C 482 -23.188 -2.818 2.546 1.00 0.00 O ATOM 472 CB LEU C 482 -21.602 -5.344 0.939 1.00 0.00 C ATOM 473 CG LEU C 482 -22.985 -5.663 0.490 1.00 0.00 C ATOM 474 CD1 LEU C 482 -23.390 -4.777 -0.672 1.00 0.00 C ATOM 475 CD2 LEU C 482 -23.032 -7.108 0.104 1.00 0.00 C ATOM 0 H LEU C 482 -19.675 -4.871 2.273 1.00 0.00 H new ATOM 0 HA LEU C 482 -21.523 -3.193 0.758 1.00 0.00 H new ATOM 0 HB2 LEU C 482 -20.932 -5.488 0.091 1.00 0.00 H new ATOM 0 HB3 LEU C 482 -21.318 -6.074 1.697 1.00 0.00 H new ATOM 0 HG LEU C 482 -23.691 -5.476 1.299 1.00 0.00 H new ATOM 0 HD11 LEU C 482 -24.404 -5.027 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU C 482 -23.353 -3.732 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU C 482 -22.705 -4.934 -1.505 1.00 0.00 H new ATOM 0 HD21 LEU C 482 -24.038 -7.363 -0.229 1.00 0.00 H new ATOM 0 HD22 LEU C 482 -22.325 -7.292 -0.705 1.00 0.00 H new ATOM 0 HD23 LEU C 482 -22.767 -7.723 0.964 1.00 0.00 H new ATOM 487 N THR C 483 -22.165 -4.401 3.755 1.00 0.00 N ATOM 488 CA THR C 483 -23.027 -4.235 4.910 1.00 0.00 C ATOM 489 C THR C 483 -22.309 -3.472 6.014 1.00 0.00 C ATOM 490 O THR C 483 -22.938 -2.739 6.786 1.00 0.00 O ATOM 491 CB THR C 483 -23.483 -5.602 5.468 1.00 0.00 C ATOM 492 OG1 THR C 483 -22.336 -6.376 5.842 1.00 0.00 O ATOM 493 CG2 THR C 483 -24.297 -6.368 4.436 1.00 0.00 C ATOM 0 H THR C 483 -21.445 -5.114 3.869 1.00 0.00 H new ATOM 0 HA THR C 483 -23.900 -3.671 4.581 1.00 0.00 H new ATOM 0 HB THR C 483 -24.111 -5.424 6.341 1.00 0.00 H new ATOM 0 HG1 THR C 483 -22.300 -7.191 5.299 1.00 0.00 H new ATOM 0 HG21 THR C 483 -24.605 -7.326 4.854 1.00 0.00 H new ATOM 0 HG22 THR C 483 -25.180 -5.789 4.166 1.00 0.00 H new ATOM 0 HG23 THR C 483 -23.690 -6.539 3.547 1.00 0.00 H new ATOM 501 N ARG C 484 -20.979 -3.644 6.069 1.00 0.00 N ATOM 502 CA ARG C 484 -20.135 -3.026 7.085 1.00 0.00 C ATOM 503 C ARG C 484 -20.478 -3.522 8.483 1.00 0.00 C ATOM 504 O ARG C 484 -20.156 -2.873 9.481 1.00 0.00 O ATOM 505 CB ARG C 484 -20.225 -1.518 7.020 1.00 0.00 C ATOM 506 CG ARG C 484 -19.703 -0.937 5.732 1.00 0.00 C ATOM 507 CD ARG C 484 -19.609 0.560 5.815 1.00 0.00 C ATOM 508 NE ARG C 484 -18.733 0.989 6.910 1.00 0.00 N ATOM 509 CZ ARG C 484 -17.884 2.014 6.846 1.00 0.00 C ATOM 510 NH1 ARG C 484 -17.779 2.730 5.729 1.00 0.00 N ATOM 511 NH2 ARG C 484 -17.147 2.325 7.902 1.00 0.00 N ATOM 0 H ARG C 484 -20.463 -4.220 5.403 1.00 0.00 H new ATOM 0 HA ARG C 484 -19.107 -3.321 6.873 1.00 0.00 H new ATOM 0 HB2 ARG C 484 -21.265 -1.219 7.148 1.00 0.00 H new ATOM 0 HB3 ARG C 484 -19.666 -1.093 7.853 1.00 0.00 H new ATOM 0 HG2 ARG C 484 -18.721 -1.355 5.512 1.00 0.00 H new ATOM 0 HG3 ARG C 484 -20.360 -1.219 4.909 1.00 0.00 H new ATOM 0 HD2 ARG C 484 -19.231 0.954 4.871 1.00 0.00 H new ATOM 0 HD3 ARG C 484 -20.605 0.980 5.960 1.00 0.00 H new ATOM 0 HE ARG C 484 -18.777 0.465 7.784 1.00 0.00 H new ATOM 0 HH11 ARG C 484 -18.350 2.495 4.917 1.00 0.00 H new ATOM 0 HH12 ARG C 484 -17.128 3.514 5.685 1.00 0.00 H new ATOM 0 HH21 ARG C 484 -17.230 1.780 8.760 1.00 0.00 H new ATOM 0 HH22 ARG C 484 -16.496 3.109 7.857 1.00 0.00 H new ATOM 525 N SER C 485 -21.096 -4.687 8.554 1.00 0.00 N ATOM 526 CA SER C 485 -21.495 -5.250 9.817 1.00 0.00 C ATOM 527 C SER C 485 -21.176 -6.730 9.858 1.00 0.00 C ATOM 528 O SER C 485 -21.858 -7.528 9.228 1.00 0.00 O ATOM 529 CB SER C 485 -22.994 -5.039 10.039 1.00 0.00 C ATOM 530 OG SER C 485 -23.378 -5.382 11.365 1.00 0.00 O ATOM 0 H SER C 485 -21.331 -5.259 7.743 1.00 0.00 H new ATOM 0 HA SER C 485 -20.942 -4.746 10.610 1.00 0.00 H new ATOM 0 HB2 SER C 485 -23.249 -3.997 9.843 1.00 0.00 H new ATOM 0 HB3 SER C 485 -23.557 -5.644 9.328 1.00 0.00 H new ATOM 0 HG SER C 485 -22.598 -5.715 11.856 1.00 0.00 H new ATOM 536 N VAL C 486 -20.132 -7.088 10.602 1.00 0.00 N ATOM 537 CA VAL C 486 -19.737 -8.490 10.762 1.00 0.00 C ATOM 538 C VAL C 486 -20.901 -9.328 11.289 1.00 0.00 C ATOM 539 O VAL C 486 -21.065 -10.494 10.914 1.00 0.00 O ATOM 540 CB VAL C 486 -18.479 -8.637 11.687 1.00 0.00 C ATOM 541 CG1 VAL C 486 -18.405 -7.507 12.687 1.00 0.00 C ATOM 542 CG2 VAL C 486 -18.466 -9.978 12.418 1.00 0.00 C ATOM 0 H VAL C 486 -19.541 -6.426 11.106 1.00 0.00 H new ATOM 0 HA VAL C 486 -19.463 -8.866 9.776 1.00 0.00 H new ATOM 0 HB VAL C 486 -17.603 -8.594 11.039 1.00 0.00 H new ATOM 0 HG11 VAL C 486 -17.523 -7.634 13.315 1.00 0.00 H new ATOM 0 HG12 VAL C 486 -18.339 -6.556 12.158 1.00 0.00 H new ATOM 0 HG13 VAL C 486 -19.299 -7.514 13.311 1.00 0.00 H new ATOM 0 HG21 VAL C 486 -17.579 -10.040 13.048 1.00 0.00 H new ATOM 0 HG22 VAL C 486 -19.358 -10.063 13.038 1.00 0.00 H new ATOM 0 HG23 VAL C 486 -18.452 -10.789 11.690 1.00 0.00 H new ATOM 552 N GLU C 487 -21.718 -8.717 12.137 1.00 0.00 N ATOM 553 CA GLU C 487 -22.890 -9.368 12.689 1.00 0.00 C ATOM 554 C GLU C 487 -23.809 -9.824 11.561 1.00 0.00 C ATOM 555 O GLU C 487 -24.316 -10.948 11.569 1.00 0.00 O ATOM 556 CB GLU C 487 -23.644 -8.416 13.628 1.00 0.00 C ATOM 557 CG GLU C 487 -22.751 -7.681 14.621 1.00 0.00 C ATOM 558 CD GLU C 487 -22.277 -6.330 14.105 1.00 0.00 C ATOM 559 OE1 GLU C 487 -21.477 -6.289 13.146 1.00 0.00 O ATOM 560 OE2 GLU C 487 -22.701 -5.301 14.654 1.00 0.00 O ATOM 0 H GLU C 487 -21.584 -7.758 12.459 1.00 0.00 H new ATOM 0 HA GLU C 487 -22.568 -10.237 13.263 1.00 0.00 H new ATOM 0 HB2 GLU C 487 -24.182 -7.682 13.028 1.00 0.00 H new ATOM 0 HB3 GLU C 487 -24.391 -8.985 14.181 1.00 0.00 H new ATOM 0 HG2 GLU C 487 -23.296 -7.537 15.554 1.00 0.00 H new ATOM 0 HG3 GLU C 487 -21.884 -8.301 14.850 1.00 0.00 H new ATOM 567 N ILE C 488 -24.005 -8.949 10.580 1.00 0.00 N ATOM 568 CA ILE C 488 -24.825 -9.276 9.434 1.00 0.00 C ATOM 569 C ILE C 488 -24.079 -10.229 8.525 1.00 0.00 C ATOM 570 O ILE C 488 -24.582 -11.255 8.198 1.00 0.00 O ATOM 571 CB ILE C 488 -25.234 -8.025 8.626 1.00 0.00 C ATOM 572 CG1 ILE C 488 -25.911 -6.995 9.538 1.00 0.00 C ATOM 573 CG2 ILE C 488 -26.166 -8.416 7.482 1.00 0.00 C ATOM 574 CD1 ILE C 488 -26.351 -5.734 8.822 1.00 0.00 C ATOM 0 H ILE C 488 -23.605 -8.011 10.562 1.00 0.00 H new ATOM 0 HA ILE C 488 -25.735 -9.741 9.813 1.00 0.00 H new ATOM 0 HB ILE C 488 -24.335 -7.575 8.205 1.00 0.00 H new ATOM 0 HG12 ILE C 488 -26.780 -7.456 10.008 1.00 0.00 H new ATOM 0 HG13 ILE C 488 -25.222 -6.725 10.338 1.00 0.00 H new ATOM 0 HG21 ILE C 488 -26.447 -7.525 6.921 1.00 0.00 H new ATOM 0 HG22 ILE C 488 -25.656 -9.116 6.820 1.00 0.00 H new ATOM 0 HG23 ILE C 488 -27.062 -8.887 7.887 1.00 0.00 H new ATOM 0 HD11 ILE C 488 -26.821 -5.056 9.535 1.00 0.00 H new ATOM 0 HD12 ILE C 488 -25.484 -5.248 8.376 1.00 0.00 H new ATOM 0 HD13 ILE C 488 -27.066 -5.990 8.040 1.00 0.00 H new ATOM 586 N THR C 489 -22.862 -9.857 8.142 1.00 0.00 N ATOM 587 CA THR C 489 -21.992 -10.664 7.284 1.00 0.00 C ATOM 588 C THR C 489 -21.944 -12.142 7.713 1.00 0.00 C ATOM 589 O THR C 489 -22.054 -13.038 6.879 1.00 0.00 O ATOM 590 CB THR C 489 -20.570 -10.084 7.295 1.00 0.00 C ATOM 591 OG1 THR C 489 -20.624 -8.690 6.987 1.00 0.00 O ATOM 592 CG2 THR C 489 -19.679 -10.783 6.283 1.00 0.00 C ATOM 0 H THR C 489 -22.442 -8.971 8.423 1.00 0.00 H new ATOM 0 HA THR C 489 -22.411 -10.628 6.278 1.00 0.00 H new ATOM 0 HB THR C 489 -20.149 -10.238 8.288 1.00 0.00 H new ATOM 0 HG1 THR C 489 -21.046 -8.565 6.112 1.00 0.00 H new ATOM 0 HG21 THR C 489 -18.680 -10.349 6.317 1.00 0.00 H new ATOM 0 HG22 THR C 489 -19.621 -11.845 6.521 1.00 0.00 H new ATOM 0 HG23 THR C 489 -20.096 -10.658 5.284 1.00 0.00 H new ATOM 600 N THR C 490 -21.800 -12.390 9.005 1.00 0.00 N ATOM 601 CA THR C 490 -21.732 -13.747 9.505 1.00 0.00 C ATOM 602 C THR C 490 -23.081 -14.446 9.349 1.00 0.00 C ATOM 603 O THR C 490 -23.150 -15.591 8.891 1.00 0.00 O ATOM 604 CB THR C 490 -21.288 -13.780 10.979 1.00 0.00 C ATOM 605 OG1 THR C 490 -20.094 -12.998 11.136 1.00 0.00 O ATOM 606 CG2 THR C 490 -21.007 -15.207 11.410 1.00 0.00 C ATOM 0 H THR C 490 -21.728 -11.669 9.723 1.00 0.00 H new ATOM 0 HA THR C 490 -20.987 -14.279 8.913 1.00 0.00 H new ATOM 0 HB THR C 490 -22.086 -13.369 11.597 1.00 0.00 H new ATOM 0 HG1 THR C 490 -20.335 -12.062 11.296 1.00 0.00 H new ATOM 0 HG21 THR C 490 -20.694 -15.217 12.454 1.00 0.00 H new ATOM 0 HG22 THR C 490 -21.911 -15.806 11.296 1.00 0.00 H new ATOM 0 HG23 THR C 490 -20.214 -15.625 10.790 1.00 0.00 H new ATOM 614 N ASP C 491 -24.149 -13.746 9.703 1.00 0.00 N ATOM 615 CA ASP C 491 -25.499 -14.286 9.559 1.00 0.00 C ATOM 616 C ASP C 491 -25.824 -14.406 8.078 1.00 0.00 C ATOM 617 O ASP C 491 -26.518 -15.317 7.651 1.00 0.00 O ATOM 618 CB ASP C 491 -26.516 -13.380 10.256 1.00 0.00 C ATOM 619 CG ASP C 491 -27.910 -13.971 10.283 1.00 0.00 C ATOM 620 OD1 ASP C 491 -28.157 -14.871 11.119 1.00 0.00 O ATOM 621 OD2 ASP C 491 -28.768 -13.533 9.490 1.00 0.00 O ATOM 0 H ASP C 491 -24.110 -12.804 10.092 1.00 0.00 H new ATOM 0 HA ASP C 491 -25.550 -15.269 10.026 1.00 0.00 H new ATOM 0 HB2 ASP C 491 -26.187 -13.191 11.278 1.00 0.00 H new ATOM 0 HB3 ASP C 491 -26.545 -12.416 9.748 1.00 0.00 H new ATOM 626 N ASN C 492 -25.280 -13.477 7.311 1.00 0.00 N ATOM 627 CA ASN C 492 -25.401 -13.446 5.868 1.00 0.00 C ATOM 628 C ASN C 492 -24.918 -14.770 5.293 1.00 0.00 C ATOM 629 O ASN C 492 -25.589 -15.391 4.471 1.00 0.00 O ATOM 630 CB ASN C 492 -24.573 -12.268 5.293 1.00 0.00 C ATOM 631 CG ASN C 492 -25.424 -11.106 4.829 1.00 0.00 C ATOM 632 OD1 ASN C 492 -26.586 -11.275 4.478 1.00 0.00 O ATOM 633 ND2 ASN C 492 -24.839 -9.922 4.791 1.00 0.00 N ATOM 0 H ASN C 492 -24.729 -12.705 7.686 1.00 0.00 H new ATOM 0 HA ASN C 492 -26.445 -13.299 5.591 1.00 0.00 H new ATOM 0 HB2 ASN C 492 -23.876 -11.917 6.054 1.00 0.00 H new ATOM 0 HB3 ASN C 492 -23.975 -12.628 4.456 1.00 0.00 H new ATOM 0 HD21 ASN C 492 -25.357 -9.108 4.461 1.00 0.00 H new ATOM 0 HD22 ASN C 492 -23.870 -9.822 5.092 1.00 0.00 H new ATOM 640 N ILE C 493 -23.754 -15.206 5.752 1.00 0.00 N ATOM 641 CA ILE C 493 -23.186 -16.481 5.342 1.00 0.00 C ATOM 642 C ILE C 493 -24.141 -17.619 5.697 1.00 0.00 C ATOM 643 O ILE C 493 -24.476 -18.457 4.862 1.00 0.00 O ATOM 644 CB ILE C 493 -21.843 -16.748 6.069 1.00 0.00 C ATOM 645 CG1 ILE C 493 -20.847 -15.634 5.803 1.00 0.00 C ATOM 646 CG2 ILE C 493 -21.258 -18.092 5.657 1.00 0.00 C ATOM 647 CD1 ILE C 493 -19.625 -15.698 6.692 1.00 0.00 C ATOM 0 H ILE C 493 -23.179 -14.688 6.416 1.00 0.00 H new ATOM 0 HA ILE C 493 -23.022 -16.436 4.265 1.00 0.00 H new ATOM 0 HB ILE C 493 -22.047 -16.775 7.139 1.00 0.00 H new ATOM 0 HG12 ILE C 493 -20.532 -15.679 4.761 1.00 0.00 H new ATOM 0 HG13 ILE C 493 -21.341 -14.673 5.945 1.00 0.00 H new ATOM 0 HG21 ILE C 493 -20.316 -18.255 6.181 1.00 0.00 H new ATOM 0 HG22 ILE C 493 -21.958 -18.887 5.913 1.00 0.00 H new ATOM 0 HG23 ILE C 493 -21.080 -18.097 4.582 1.00 0.00 H new ATOM 0 HD11 ILE C 493 -18.955 -14.873 6.449 1.00 0.00 H new ATOM 0 HD12 ILE C 493 -19.930 -15.622 7.736 1.00 0.00 H new ATOM 0 HD13 ILE C 493 -19.108 -16.644 6.533 1.00 0.00 H new ATOM 659 N LEU C 494 -24.584 -17.609 6.942 1.00 0.00 N ATOM 660 CA LEU C 494 -25.449 -18.644 7.490 1.00 0.00 C ATOM 661 C LEU C 494 -26.809 -18.704 6.786 1.00 0.00 C ATOM 662 O LEU C 494 -27.404 -19.775 6.663 1.00 0.00 O ATOM 663 CB LEU C 494 -25.612 -18.412 8.990 1.00 0.00 C ATOM 664 CG LEU C 494 -24.307 -18.491 9.788 1.00 0.00 C ATOM 665 CD1 LEU C 494 -24.503 -17.991 11.204 1.00 0.00 C ATOM 666 CD2 LEU C 494 -23.771 -19.914 9.794 1.00 0.00 C ATOM 0 H LEU C 494 -24.352 -16.874 7.610 1.00 0.00 H new ATOM 0 HA LEU C 494 -24.979 -19.612 7.317 1.00 0.00 H new ATOM 0 HB2 LEU C 494 -26.061 -17.431 9.147 1.00 0.00 H new ATOM 0 HB3 LEU C 494 -26.311 -19.149 9.386 1.00 0.00 H new ATOM 0 HG LEU C 494 -23.575 -17.846 9.302 1.00 0.00 H new ATOM 0 HD11 LEU C 494 -23.561 -18.059 11.747 1.00 0.00 H new ATOM 0 HD12 LEU C 494 -24.835 -16.953 11.181 1.00 0.00 H new ATOM 0 HD13 LEU C 494 -25.255 -18.601 11.704 1.00 0.00 H new ATOM 0 HD21 LEU C 494 -22.844 -19.951 10.365 1.00 0.00 H new ATOM 0 HD22 LEU C 494 -24.505 -20.578 10.251 1.00 0.00 H new ATOM 0 HD23 LEU C 494 -23.579 -20.235 8.770 1.00 0.00 H new ATOM 678 N GLU C 495 -27.292 -17.563 6.331 1.00 0.00 N ATOM 679 CA GLU C 495 -28.555 -17.501 5.601 1.00 0.00 C ATOM 680 C GLU C 495 -28.386 -18.002 4.175 1.00 0.00 C ATOM 681 O GLU C 495 -29.359 -18.339 3.503 1.00 0.00 O ATOM 682 CB GLU C 495 -29.099 -16.074 5.592 1.00 0.00 C ATOM 683 CG GLU C 495 -29.597 -15.607 6.943 1.00 0.00 C ATOM 684 CD GLU C 495 -30.841 -16.342 7.388 1.00 0.00 C ATOM 685 OE1 GLU C 495 -30.730 -17.507 7.832 1.00 0.00 O ATOM 686 OE2 GLU C 495 -31.942 -15.754 7.302 1.00 0.00 O ATOM 0 H GLU C 495 -26.831 -16.661 6.452 1.00 0.00 H new ATOM 0 HA GLU C 495 -29.268 -18.148 6.111 1.00 0.00 H new ATOM 0 HB2 GLU C 495 -28.316 -15.398 5.249 1.00 0.00 H new ATOM 0 HB3 GLU C 495 -29.914 -16.009 4.871 1.00 0.00 H new ATOM 0 HG2 GLU C 495 -28.811 -15.748 7.685 1.00 0.00 H new ATOM 0 HG3 GLU C 495 -29.806 -14.538 6.900 1.00 0.00 H new ATOM 693 N GLY C 496 -27.146 -18.069 3.728 1.00 0.00 N ATOM 694 CA GLY C 496 -26.870 -18.520 2.384 1.00 0.00 C ATOM 695 C GLY C 496 -26.656 -17.371 1.436 1.00 0.00 C ATOM 696 O GLY C 496 -26.635 -17.553 0.219 1.00 0.00 O ATOM 0 H GLY C 496 -26.322 -17.818 4.274 1.00 0.00 H new ATOM 0 HA2 GLY C 496 -25.984 -19.155 2.390 1.00 0.00 H new ATOM 0 HA3 GLY C 496 -27.699 -19.133 2.030 1.00 0.00 H new ATOM 700 N ARG C 497 -26.500 -16.180 1.998 1.00 0.00 N ATOM 701 CA ARG C 497 -26.265 -14.983 1.216 1.00 0.00 C ATOM 702 C ARG C 497 -24.887 -15.068 0.588 1.00 0.00 C ATOM 703 O ARG C 497 -24.695 -14.734 -0.579 1.00 0.00 O ATOM 704 CB ARG C 497 -26.379 -13.745 2.117 1.00 0.00 C ATOM 705 CG ARG C 497 -26.648 -12.438 1.382 1.00 0.00 C ATOM 706 CD ARG C 497 -25.405 -11.873 0.717 1.00 0.00 C ATOM 707 NE ARG C 497 -25.726 -10.703 -0.091 1.00 0.00 N ATOM 708 CZ ARG C 497 -25.666 -9.445 0.341 1.00 0.00 C ATOM 709 NH1 ARG C 497 -25.195 -9.166 1.555 1.00 0.00 N ATOM 710 NH2 ARG C 497 -26.047 -8.459 -0.455 1.00 0.00 N ATOM 0 H ARG C 497 -26.533 -16.021 3.005 1.00 0.00 H new ATOM 0 HA ARG C 497 -27.011 -14.899 0.425 1.00 0.00 H new ATOM 0 HB2 ARG C 497 -27.180 -13.911 2.838 1.00 0.00 H new ATOM 0 HB3 ARG C 497 -25.455 -13.641 2.686 1.00 0.00 H new ATOM 0 HG2 ARG C 497 -27.416 -12.602 0.627 1.00 0.00 H new ATOM 0 HG3 ARG C 497 -27.044 -11.705 2.085 1.00 0.00 H new ATOM 0 HD2 ARG C 497 -24.673 -11.603 1.478 1.00 0.00 H new ATOM 0 HD3 ARG C 497 -24.946 -12.637 0.090 1.00 0.00 H new ATOM 0 HE ARG C 497 -26.017 -10.859 -1.056 1.00 0.00 H new ATOM 0 HH11 ARG C 497 -24.876 -9.920 2.164 1.00 0.00 H new ATOM 0 HH12 ARG C 497 -25.153 -8.199 1.876 1.00 0.00 H new ATOM 0 HH21 ARG C 497 -26.385 -8.664 -1.395 1.00 0.00 H new ATOM 0 HH22 ARG C 497 -26.003 -7.494 -0.128 1.00 0.00 H new ATOM 724 N ILE C 498 -23.939 -15.533 1.369 1.00 0.00 N ATOM 725 CA ILE C 498 -22.591 -15.730 0.896 1.00 0.00 C ATOM 726 C ILE C 498 -22.388 -17.205 0.630 1.00 0.00 C ATOM 727 O ILE C 498 -22.388 -18.016 1.556 1.00 0.00 O ATOM 728 CB ILE C 498 -21.540 -15.222 1.913 1.00 0.00 C ATOM 729 CG1 ILE C 498 -21.760 -13.731 2.189 1.00 0.00 C ATOM 730 CG2 ILE C 498 -20.126 -15.467 1.389 1.00 0.00 C ATOM 731 CD1 ILE C 498 -20.826 -13.145 3.228 1.00 0.00 C ATOM 0 H ILE C 498 -24.081 -15.784 2.347 1.00 0.00 H new ATOM 0 HA ILE C 498 -22.453 -15.153 -0.018 1.00 0.00 H new ATOM 0 HB ILE C 498 -21.657 -15.773 2.846 1.00 0.00 H new ATOM 0 HG12 ILE C 498 -21.640 -13.179 1.257 1.00 0.00 H new ATOM 0 HG13 ILE C 498 -22.789 -13.582 2.517 1.00 0.00 H new ATOM 0 HG21 ILE C 498 -19.400 -15.104 2.117 1.00 0.00 H new ATOM 0 HG22 ILE C 498 -19.977 -16.535 1.230 1.00 0.00 H new ATOM 0 HG23 ILE C 498 -19.991 -14.937 0.446 1.00 0.00 H new ATOM 0 HD11 ILE C 498 -21.049 -12.087 3.363 1.00 0.00 H new ATOM 0 HD12 ILE C 498 -20.961 -13.668 4.175 1.00 0.00 H new ATOM 0 HD13 ILE C 498 -19.794 -13.259 2.895 1.00 0.00 H new ATOM 743 N GLN C 499 -22.251 -17.551 -0.633 1.00 0.00 N ATOM 744 CA GLN C 499 -22.140 -18.939 -1.034 1.00 0.00 C ATOM 745 C GLN C 499 -20.818 -19.549 -0.590 1.00 0.00 C ATOM 746 O GLN C 499 -19.750 -18.963 -0.784 1.00 0.00 O ATOM 747 CB GLN C 499 -22.323 -19.074 -2.544 1.00 0.00 C ATOM 748 CG GLN C 499 -22.415 -20.512 -3.029 1.00 0.00 C ATOM 749 CD GLN C 499 -22.807 -20.607 -4.486 1.00 0.00 C ATOM 750 OE1 GLN C 499 -23.528 -19.749 -5.005 1.00 0.00 O ATOM 751 NE2 GLN C 499 -22.339 -21.637 -5.157 1.00 0.00 N ATOM 0 H GLN C 499 -22.214 -16.885 -1.405 1.00 0.00 H new ATOM 0 HA GLN C 499 -22.935 -19.494 -0.536 1.00 0.00 H new ATOM 0 HB2 GLN C 499 -23.228 -18.543 -2.839 1.00 0.00 H new ATOM 0 HB3 GLN C 499 -21.488 -18.585 -3.046 1.00 0.00 H new ATOM 0 HG2 GLN C 499 -21.454 -21.004 -2.882 1.00 0.00 H new ATOM 0 HG3 GLN C 499 -23.144 -21.050 -2.424 1.00 0.00 H new ATOM 0 HE21 GLN C 499 -21.746 -22.323 -4.690 1.00 0.00 H new ATOM 0 HE22 GLN C 499 -22.569 -21.749 -6.144 1.00 0.00 H new ATOM 760 N VAL C 500 -20.907 -20.722 0.005 1.00 0.00 N ATOM 761 CA VAL C 500 -19.743 -21.432 0.494 1.00 0.00 C ATOM 762 C VAL C 500 -19.141 -22.312 -0.602 1.00 0.00 C ATOM 763 O VAL C 500 -19.835 -23.154 -1.177 1.00 0.00 O ATOM 764 CB VAL C 500 -20.110 -22.327 1.705 1.00 0.00 C ATOM 765 CG1 VAL C 500 -18.882 -23.053 2.232 1.00 0.00 C ATOM 766 CG2 VAL C 500 -20.764 -21.501 2.803 1.00 0.00 C ATOM 0 H VAL C 500 -21.789 -21.210 0.163 1.00 0.00 H new ATOM 0 HA VAL C 500 -19.013 -20.684 0.802 1.00 0.00 H new ATOM 0 HB VAL C 500 -20.827 -23.077 1.370 1.00 0.00 H new ATOM 0 HG11 VAL C 500 -19.164 -23.675 3.082 1.00 0.00 H new ATOM 0 HG12 VAL C 500 -18.465 -23.681 1.445 1.00 0.00 H new ATOM 0 HG13 VAL C 500 -18.136 -22.324 2.548 1.00 0.00 H new ATOM 0 HG21 VAL C 500 -21.014 -22.147 3.644 1.00 0.00 H new ATOM 0 HG22 VAL C 500 -20.074 -20.725 3.134 1.00 0.00 H new ATOM 0 HG23 VAL C 500 -21.673 -21.038 2.418 1.00 0.00 H new ATOM 776 N PRO C 501 -17.853 -22.116 -0.927 1.00 0.00 N ATOM 777 CA PRO C 501 -17.157 -22.938 -1.903 1.00 0.00 C ATOM 778 C PRO C 501 -16.786 -24.288 -1.305 1.00 0.00 C ATOM 779 O PRO C 501 -16.422 -24.378 -0.129 1.00 0.00 O ATOM 780 CB PRO C 501 -15.882 -22.136 -2.231 1.00 0.00 C ATOM 781 CG PRO C 501 -16.019 -20.839 -1.502 1.00 0.00 C ATOM 782 CD PRO C 501 -16.979 -21.083 -0.380 1.00 0.00 C ATOM 0 HA PRO C 501 -17.768 -23.143 -2.782 1.00 0.00 H new ATOM 0 HB2 PRO C 501 -14.989 -22.673 -1.910 1.00 0.00 H new ATOM 0 HB3 PRO C 501 -15.788 -21.973 -3.305 1.00 0.00 H new ATOM 0 HG2 PRO C 501 -15.054 -20.504 -1.121 1.00 0.00 H new ATOM 0 HG3 PRO C 501 -16.389 -20.058 -2.166 1.00 0.00 H new ATOM 0 HD2 PRO C 501 -16.470 -21.419 0.523 1.00 0.00 H new ATOM 0 HD3 PRO C 501 -17.532 -20.182 -0.117 1.00 0.00 H new ATOM 790 N PHE C 502 -16.877 -25.327 -2.097 1.00 0.00 N ATOM 791 CA PHE C 502 -16.558 -26.655 -1.630 1.00 0.00 C ATOM 792 C PHE C 502 -15.397 -27.222 -2.420 1.00 0.00 C ATOM 793 O PHE C 502 -15.188 -26.838 -3.574 1.00 0.00 O ATOM 794 CB PHE C 502 -17.775 -27.582 -1.750 1.00 0.00 C ATOM 795 CG PHE C 502 -18.933 -27.178 -0.884 1.00 0.00 C ATOM 796 CD1 PHE C 502 -18.841 -27.249 0.497 1.00 0.00 C ATOM 797 CD2 PHE C 502 -20.115 -26.733 -1.450 1.00 0.00 C ATOM 798 CE1 PHE C 502 -19.906 -26.883 1.297 1.00 0.00 C ATOM 799 CE2 PHE C 502 -21.183 -26.366 -0.655 1.00 0.00 C ATOM 800 CZ PHE C 502 -21.078 -26.441 0.720 1.00 0.00 C ATOM 0 H PHE C 502 -17.171 -25.279 -3.073 1.00 0.00 H new ATOM 0 HA PHE C 502 -16.276 -26.588 -0.579 1.00 0.00 H new ATOM 0 HB2 PHE C 502 -18.102 -27.605 -2.790 1.00 0.00 H new ATOM 0 HB3 PHE C 502 -17.474 -28.596 -1.488 1.00 0.00 H new ATOM 0 HD1 PHE C 502 -17.925 -27.595 0.953 1.00 0.00 H new ATOM 0 HD2 PHE C 502 -20.203 -26.672 -2.525 1.00 0.00 H new ATOM 0 HE1 PHE C 502 -19.821 -26.943 2.372 1.00 0.00 H new ATOM 0 HE2 PHE C 502 -22.100 -26.020 -1.109 1.00 0.00 H new ATOM 0 HZ PHE C 502 -21.913 -26.154 1.343 1.00 0.00 H new ATOM 810 N PRO C 503 -14.600 -28.113 -1.803 1.00 0.00 N ATOM 811 CA PRO C 503 -13.490 -28.767 -2.487 1.00 0.00 C ATOM 812 C PRO C 503 -13.988 -29.543 -3.699 1.00 0.00 C ATOM 813 O PRO C 503 -14.881 -30.390 -3.581 1.00 0.00 O ATOM 814 CB PRO C 503 -12.925 -29.730 -1.433 1.00 0.00 C ATOM 815 CG PRO C 503 -13.381 -29.178 -0.127 1.00 0.00 C ATOM 816 CD PRO C 503 -14.707 -28.532 -0.393 1.00 0.00 C ATOM 0 HA PRO C 503 -12.749 -28.058 -2.857 1.00 0.00 H new ATOM 0 HB2 PRO C 503 -13.296 -30.744 -1.585 1.00 0.00 H new ATOM 0 HB3 PRO C 503 -11.837 -29.778 -1.484 1.00 0.00 H new ATOM 0 HG2 PRO C 503 -13.474 -29.967 0.619 1.00 0.00 H new ATOM 0 HG3 PRO C 503 -12.665 -28.454 0.262 1.00 0.00 H new ATOM 0 HD2 PRO C 503 -15.532 -29.228 -0.241 1.00 0.00 H new ATOM 0 HD3 PRO C 503 -14.881 -27.683 0.268 1.00 0.00 H new ATOM 824 N THR C 504 -13.443 -29.233 -4.855 1.00 0.00 N ATOM 825 CA THR C 504 -13.840 -29.878 -6.085 1.00 0.00 C ATOM 826 C THR C 504 -12.699 -29.813 -7.101 1.00 0.00 C ATOM 827 O THR C 504 -11.960 -30.810 -7.230 1.00 0.00 O ATOM 828 CB THR C 504 -15.119 -29.221 -6.677 1.00 0.00 C ATOM 829 OG1 THR C 504 -16.188 -29.280 -5.716 1.00 0.00 O ATOM 830 CG2 THR C 504 -15.555 -29.926 -7.955 1.00 0.00 C ATOM 831 OXT THR C 504 -12.529 -28.762 -7.741 1.00 0.00 O ATOM 0 H THR C 504 -12.714 -28.528 -4.968 1.00 0.00 H new ATOM 0 HA THR C 504 -14.067 -30.921 -5.864 1.00 0.00 H new ATOM 0 HB THR C 504 -14.887 -28.182 -6.912 1.00 0.00 H new ATOM 0 HG1 THR C 504 -15.898 -29.796 -4.935 1.00 0.00 H new ATOM 0 HG21 THR C 504 -16.452 -29.446 -8.348 1.00 0.00 H new ATOM 0 HG22 THR C 504 -14.757 -29.864 -8.695 1.00 0.00 H new ATOM 0 HG23 THR C 504 -15.769 -30.973 -7.738 1.00 0.00 H new TER 839 THR C 504