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 -172:sc= -0.598 (180deg=-0.621) USER MOD Set 1.2: C 490 THR OG1 : rot 92:sc= 1.29 USER MOD Set 2.1: C 483 THR OG1 : rot -112:sc= 0.962 USER MOD Set 2.2: C 489 THR OG1 : rot -60:sc= 1.28 USER MOD Set 3.1: C 454 ASN : amide:sc= 0 K(o=-1.8,f=-2.4) USER MOD Set 3.2: C 481 GLN :FLIP amide:sc= -1.77! F(o=-2.4,f=-1.8!) USER MOD Set 4.1: C 462 HIS : no HD1:sc= 0 X(o=1.2,f=1.2) USER MOD Set 4.2: C 473 TYR OH : rot 80:sc= 1.23 USER MOD Single : C 453 SER OG : rot 24:sc= 0.182 USER MOD Single : C 455 SER OG : rot 180:sc= 0 USER MOD Single : C 456 GLN : amide:sc= -0.111 K(o=-0.11,f=-0.64) USER MOD Single : C 458 ASN : amide:sc= -0.389 K(o=-0.39,f=-5!) USER MOD Single : C 460 MET CE :methyl 165:sc= -4.02! (180deg=-4.69!) USER MOD Single : C 463 GLN : amide:sc= -2.44 X(o=-2.4,f=-2.4) USER MOD Single : C 465 GLN : amide:sc= -0.142 K(o=-0.14,f=-0.78) USER MOD Single : C 470 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.4!) USER MOD Single : C 474 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 478 GLN :FLIP amide:sc=-0.000636 F(o=-0.85,f=-0.00064) USER MOD Single : C 485 SER OG : rot 170:sc=-0.000327 USER MOD Single : C 492 ASN : amide:sc= -2.05 K(o=-2.1,f=-3.6!) USER MOD Single : C 499 GLN : amide:sc= -0.0089 K(o=-0.0089,f=-0.86) USER MOD Single : C 504 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER C 453 -8.068 2.279 2.807 1.00 0.00 N ATOM 2 CA SER C 453 -8.591 2.846 4.056 1.00 0.00 C ATOM 3 C SER C 453 -9.686 1.949 4.649 1.00 0.00 C ATOM 4 O SER C 453 -10.526 2.408 5.423 1.00 0.00 O ATOM 5 CB SER C 453 -9.146 4.245 3.785 1.00 0.00 C ATOM 6 OG SER C 453 -8.187 5.050 3.108 1.00 0.00 O ATOM 0 HA SER C 453 -7.779 2.909 4.780 1.00 0.00 H new ATOM 0 HB2 SER C 453 -10.053 4.171 3.185 1.00 0.00 H new ATOM 0 HB3 SER C 453 -9.425 4.719 4.726 1.00 0.00 H new ATOM 0 HG SER C 453 -7.559 4.474 2.624 1.00 0.00 H new ATOM 14 N ASN C 454 -9.658 0.664 4.310 1.00 0.00 N ATOM 15 CA ASN C 454 -10.669 -0.280 4.787 1.00 0.00 C ATOM 16 C ASN C 454 -10.066 -1.263 5.775 1.00 0.00 C ATOM 17 O ASN C 454 -10.537 -2.392 5.903 1.00 0.00 O ATOM 18 CB ASN C 454 -11.288 -1.048 3.612 1.00 0.00 C ATOM 19 CG ASN C 454 -12.035 -0.152 2.643 1.00 0.00 C ATOM 20 OD1 ASN C 454 -12.596 0.872 3.028 1.00 0.00 O ATOM 21 ND2 ASN C 454 -12.047 -0.533 1.381 1.00 0.00 N ATOM 0 H ASN C 454 -8.947 0.250 3.707 1.00 0.00 H new ATOM 0 HA ASN C 454 -11.449 0.293 5.290 1.00 0.00 H new ATOM 0 HB2 ASN C 454 -10.500 -1.576 3.075 1.00 0.00 H new ATOM 0 HB3 ASN C 454 -11.971 -1.804 3.999 1.00 0.00 H new ATOM 0 HD21 ASN C 454 -12.534 0.029 0.683 1.00 0.00 H new ATOM 0 HD22 ASN C 454 -11.569 -1.390 1.102 1.00 0.00 H new ATOM 28 N SER C 455 -9.042 -0.818 6.494 1.00 0.00 N ATOM 29 CA SER C 455 -8.344 -1.661 7.456 1.00 0.00 C ATOM 30 C SER C 455 -9.304 -2.242 8.501 1.00 0.00 C ATOM 31 O SER C 455 -9.175 -3.399 8.897 1.00 0.00 O ATOM 32 CB SER C 455 -7.241 -0.863 8.137 1.00 0.00 C ATOM 33 OG SER C 455 -6.421 -0.217 7.168 1.00 0.00 O ATOM 0 H SER C 455 -8.674 0.131 6.427 1.00 0.00 H new ATOM 0 HA SER C 455 -7.904 -2.498 6.914 1.00 0.00 H new ATOM 0 HB2 SER C 455 -7.680 -0.121 8.804 1.00 0.00 H new ATOM 0 HB3 SER C 455 -6.633 -1.525 8.753 1.00 0.00 H new ATOM 0 HG SER C 455 -5.718 0.293 7.622 1.00 0.00 H new ATOM 39 N GLN C 456 -10.276 -1.437 8.926 1.00 0.00 N ATOM 40 CA GLN C 456 -11.258 -1.879 9.912 1.00 0.00 C ATOM 41 C GLN C 456 -12.111 -3.011 9.358 1.00 0.00 C ATOM 42 O GLN C 456 -12.377 -3.992 10.045 1.00 0.00 O ATOM 43 CB GLN C 456 -12.156 -0.718 10.341 1.00 0.00 C ATOM 44 CG GLN C 456 -11.422 0.385 11.082 1.00 0.00 C ATOM 45 CD GLN C 456 -10.779 -0.096 12.370 1.00 0.00 C ATOM 46 OE1 GLN C 456 -11.269 -1.024 13.020 1.00 0.00 O ATOM 47 NE2 GLN C 456 -9.684 0.531 12.746 1.00 0.00 N ATOM 0 H GLN C 456 -10.404 -0.478 8.604 1.00 0.00 H new ATOM 0 HA GLN C 456 -10.713 -2.244 10.782 1.00 0.00 H new ATOM 0 HB2 GLN C 456 -12.632 -0.294 9.457 1.00 0.00 H new ATOM 0 HB3 GLN C 456 -12.952 -1.103 10.978 1.00 0.00 H new ATOM 0 HG2 GLN C 456 -10.653 0.803 10.432 1.00 0.00 H new ATOM 0 HG3 GLN C 456 -12.120 1.190 11.309 1.00 0.00 H new ATOM 0 HE21 GLN C 456 -9.313 1.293 12.179 1.00 0.00 H new ATOM 0 HE22 GLN C 456 -9.207 0.255 13.604 1.00 0.00 H new ATOM 56 N LEU C 457 -12.517 -2.877 8.101 1.00 0.00 N ATOM 57 CA LEU C 457 -13.344 -3.887 7.458 1.00 0.00 C ATOM 58 C LEU C 457 -12.557 -5.175 7.276 1.00 0.00 C ATOM 59 O LEU C 457 -13.086 -6.272 7.473 1.00 0.00 O ATOM 60 CB LEU C 457 -13.864 -3.391 6.104 1.00 0.00 C ATOM 61 CG LEU C 457 -14.622 -2.056 6.117 1.00 0.00 C ATOM 62 CD1 LEU C 457 -15.247 -1.789 4.770 1.00 0.00 C ATOM 63 CD2 LEU C 457 -15.682 -2.039 7.199 1.00 0.00 C ATOM 0 H LEU C 457 -12.287 -2.079 7.509 1.00 0.00 H new ATOM 0 HA LEU C 457 -14.201 -4.083 8.102 1.00 0.00 H new ATOM 0 HB2 LEU C 457 -13.017 -3.297 5.425 1.00 0.00 H new ATOM 0 HB3 LEU C 457 -14.522 -4.155 5.689 1.00 0.00 H new ATOM 0 HG LEU C 457 -13.903 -1.266 6.334 1.00 0.00 H new ATOM 0 HD11 LEU C 457 -15.780 -0.839 4.798 1.00 0.00 H new ATOM 0 HD12 LEU C 457 -14.467 -1.745 4.009 1.00 0.00 H new ATOM 0 HD13 LEU C 457 -15.946 -2.590 4.528 1.00 0.00 H new ATOM 0 HD21 LEU C 457 -16.202 -1.081 7.184 1.00 0.00 H new ATOM 0 HD22 LEU C 457 -16.396 -2.843 7.021 1.00 0.00 H new ATOM 0 HD23 LEU C 457 -15.211 -2.181 8.172 1.00 0.00 H new ATOM 75 N ASN C 458 -11.288 -5.030 6.914 1.00 0.00 N ATOM 76 CA ASN C 458 -10.407 -6.175 6.726 1.00 0.00 C ATOM 77 C ASN C 458 -10.212 -6.911 8.038 1.00 0.00 C ATOM 78 O ASN C 458 -10.264 -8.143 8.087 1.00 0.00 O ATOM 79 CB ASN C 458 -9.043 -5.741 6.171 1.00 0.00 C ATOM 80 CG ASN C 458 -9.116 -5.136 4.774 1.00 0.00 C ATOM 81 OD1 ASN C 458 -9.975 -5.492 3.970 1.00 0.00 O ATOM 82 ND2 ASN C 458 -8.204 -4.225 4.475 1.00 0.00 N ATOM 0 H ASN C 458 -10.845 -4.127 6.744 1.00 0.00 H new ATOM 0 HA ASN C 458 -10.878 -6.842 6.004 1.00 0.00 H new ATOM 0 HB2 ASN C 458 -8.599 -5.013 6.850 1.00 0.00 H new ATOM 0 HB3 ASN C 458 -8.378 -6.604 6.150 1.00 0.00 H new ATOM 0 HD21 ASN C 458 -8.198 -3.793 3.551 1.00 0.00 H new ATOM 0 HD22 ASN C 458 -7.507 -3.955 5.169 1.00 0.00 H new ATOM 89 N ALA C 459 -10.005 -6.150 9.102 1.00 0.00 N ATOM 90 CA ALA C 459 -9.799 -6.711 10.427 1.00 0.00 C ATOM 91 C ALA C 459 -11.048 -7.416 10.930 1.00 0.00 C ATOM 92 O ALA C 459 -10.956 -8.478 11.530 1.00 0.00 O ATOM 93 CB ALA C 459 -9.369 -5.626 11.403 1.00 0.00 C ATOM 0 H ALA C 459 -9.975 -5.131 9.071 1.00 0.00 H new ATOM 0 HA ALA C 459 -9.004 -7.453 10.356 1.00 0.00 H new ATOM 0 HB1 ALA C 459 -9.219 -6.063 12.390 1.00 0.00 H new ATOM 0 HB2 ALA C 459 -8.437 -5.176 11.060 1.00 0.00 H new ATOM 0 HB3 ALA C 459 -10.142 -4.860 11.459 1.00 0.00 H new ATOM 99 N MET C 460 -12.216 -6.828 10.681 1.00 0.00 N ATOM 100 CA MET C 460 -13.475 -7.426 11.117 1.00 0.00 C ATOM 101 C MET C 460 -13.687 -8.795 10.489 1.00 0.00 C ATOM 102 O MET C 460 -14.107 -9.745 11.160 1.00 0.00 O ATOM 103 CB MET C 460 -14.658 -6.523 10.788 1.00 0.00 C ATOM 104 CG MET C 460 -14.731 -5.261 11.631 1.00 0.00 C ATOM 105 SD MET C 460 -16.376 -4.523 11.618 1.00 0.00 S ATOM 106 CE MET C 460 -16.568 -4.178 9.881 1.00 0.00 C ATOM 0 H MET C 460 -12.317 -5.944 10.183 1.00 0.00 H new ATOM 0 HA MET C 460 -13.413 -7.545 12.199 1.00 0.00 H new ATOM 0 HB2 MET C 460 -14.604 -6.241 9.736 1.00 0.00 H new ATOM 0 HB3 MET C 460 -15.580 -7.089 10.920 1.00 0.00 H new ATOM 0 HG2 MET C 460 -14.449 -5.496 12.657 1.00 0.00 H new ATOM 0 HG3 MET C 460 -14.007 -4.536 11.259 1.00 0.00 H new ATOM 0 HE1 MET C 460 -17.616 -3.971 9.665 1.00 0.00 H new ATOM 0 HE2 MET C 460 -15.964 -3.311 9.613 1.00 0.00 H new ATOM 0 HE3 MET C 460 -16.242 -5.041 9.300 1.00 0.00 H new ATOM 116 N ALA C 461 -13.379 -8.901 9.204 1.00 0.00 N ATOM 117 CA ALA C 461 -13.533 -10.154 8.480 1.00 0.00 C ATOM 118 C ALA C 461 -12.616 -11.235 9.042 1.00 0.00 C ATOM 119 O ALA C 461 -12.856 -12.426 8.849 1.00 0.00 O ATOM 120 CB ALA C 461 -13.256 -9.946 7.004 1.00 0.00 C ATOM 0 H ALA C 461 -13.020 -8.131 8.640 1.00 0.00 H new ATOM 0 HA ALA C 461 -14.563 -10.489 8.604 1.00 0.00 H new ATOM 0 HB1 ALA C 461 -13.375 -10.891 6.475 1.00 0.00 H new ATOM 0 HB2 ALA C 461 -13.957 -9.214 6.602 1.00 0.00 H new ATOM 0 HB3 ALA C 461 -12.237 -9.582 6.873 1.00 0.00 H new ATOM 126 N HIS C 462 -11.577 -10.813 9.751 1.00 0.00 N ATOM 127 CA HIS C 462 -10.623 -11.739 10.335 1.00 0.00 C ATOM 128 C HIS C 462 -11.300 -12.595 11.395 1.00 0.00 C ATOM 129 O HIS C 462 -11.087 -13.796 11.454 1.00 0.00 O ATOM 130 CB HIS C 462 -9.444 -10.986 10.946 1.00 0.00 C ATOM 131 CG HIS C 462 -8.187 -11.788 11.027 1.00 0.00 C ATOM 132 ND1 HIS C 462 -7.949 -12.741 11.995 1.00 0.00 N ATOM 133 CD2 HIS C 462 -7.093 -11.777 10.242 1.00 0.00 C ATOM 134 CE1 HIS C 462 -6.762 -13.277 11.797 1.00 0.00 C ATOM 135 NE2 HIS C 462 -6.223 -12.711 10.736 1.00 0.00 N ATOM 0 H HIS C 462 -11.375 -9.830 9.935 1.00 0.00 H new ATOM 0 HA HIS C 462 -10.247 -12.387 9.543 1.00 0.00 H new ATOM 0 HB2 HIS C 462 -9.253 -10.090 10.356 1.00 0.00 H new ATOM 0 HB3 HIS C 462 -9.717 -10.656 11.948 1.00 0.00 H new ATOM 0 HD2 HIS C 462 -6.932 -11.146 9.380 1.00 0.00 H new ATOM 0 HE1 HIS C 462 -6.308 -14.049 12.401 1.00 0.00 H new ATOM 0 HE2 HIS C 462 -5.307 -12.933 10.346 1.00 0.00 H new ATOM 144 N GLN C 463 -12.131 -11.964 12.221 1.00 0.00 N ATOM 145 CA GLN C 463 -12.856 -12.680 13.274 1.00 0.00 C ATOM 146 C GLN C 463 -13.820 -13.680 12.660 1.00 0.00 C ATOM 147 O GLN C 463 -13.964 -14.802 13.144 1.00 0.00 O ATOM 148 CB GLN C 463 -13.636 -11.715 14.188 1.00 0.00 C ATOM 149 CG GLN C 463 -12.781 -10.815 15.082 1.00 0.00 C ATOM 150 CD GLN C 463 -12.049 -9.732 14.317 1.00 0.00 C ATOM 151 OE1 GLN C 463 -12.587 -8.654 14.084 1.00 0.00 O ATOM 152 NE2 GLN C 463 -10.810 -9.998 13.950 1.00 0.00 N ATOM 0 H GLN C 463 -12.320 -10.962 12.184 1.00 0.00 H new ATOM 0 HA GLN C 463 -12.116 -13.202 13.881 1.00 0.00 H new ATOM 0 HB2 GLN C 463 -14.267 -11.083 13.564 1.00 0.00 H new ATOM 0 HB3 GLN C 463 -14.300 -12.301 14.823 1.00 0.00 H new ATOM 0 HG2 GLN C 463 -13.419 -10.351 15.834 1.00 0.00 H new ATOM 0 HG3 GLN C 463 -12.054 -11.429 15.614 1.00 0.00 H new ATOM 0 HE21 GLN C 463 -10.399 -10.907 14.163 1.00 0.00 H new ATOM 0 HE22 GLN C 463 -10.263 -9.295 13.453 1.00 0.00 H new ATOM 161 N ILE C 464 -14.475 -13.272 11.582 1.00 0.00 N ATOM 162 CA ILE C 464 -15.411 -14.142 10.893 1.00 0.00 C ATOM 163 C ILE C 464 -14.675 -15.319 10.267 1.00 0.00 C ATOM 164 O ILE C 464 -15.156 -16.436 10.297 1.00 0.00 O ATOM 165 CB ILE C 464 -16.199 -13.392 9.804 1.00 0.00 C ATOM 166 CG1 ILE C 464 -16.911 -12.177 10.400 1.00 0.00 C ATOM 167 CG2 ILE C 464 -17.213 -14.329 9.149 1.00 0.00 C ATOM 168 CD1 ILE C 464 -17.571 -11.305 9.359 1.00 0.00 C ATOM 0 H ILE C 464 -14.374 -12.345 11.168 1.00 0.00 H new ATOM 0 HA ILE C 464 -16.122 -14.504 11.636 1.00 0.00 H new ATOM 0 HB ILE C 464 -15.498 -13.045 9.045 1.00 0.00 H new ATOM 0 HG12 ILE C 464 -17.665 -12.518 11.110 1.00 0.00 H new ATOM 0 HG13 ILE C 464 -16.191 -11.581 10.961 1.00 0.00 H new ATOM 0 HG21 ILE C 464 -17.765 -13.788 8.380 1.00 0.00 H new ATOM 0 HG22 ILE C 464 -16.690 -15.171 8.696 1.00 0.00 H new ATOM 0 HG23 ILE C 464 -17.908 -14.697 9.903 1.00 0.00 H new ATOM 0 HD11 ILE C 464 -18.058 -10.461 9.847 1.00 0.00 H new ATOM 0 HD12 ILE C 464 -16.818 -10.936 8.663 1.00 0.00 H new ATOM 0 HD13 ILE C 464 -18.314 -11.888 8.815 1.00 0.00 H new ATOM 180 N GLN C 465 -13.495 -15.056 9.717 1.00 0.00 N ATOM 181 CA GLN C 465 -12.673 -16.111 9.121 1.00 0.00 C ATOM 182 C GLN C 465 -12.227 -17.101 10.193 1.00 0.00 C ATOM 183 O GLN C 465 -12.015 -18.282 9.923 1.00 0.00 O ATOM 184 CB GLN C 465 -11.452 -15.507 8.421 1.00 0.00 C ATOM 185 CG GLN C 465 -10.565 -16.534 7.719 1.00 0.00 C ATOM 186 CD GLN C 465 -11.291 -17.306 6.626 1.00 0.00 C ATOM 187 OE1 GLN C 465 -10.967 -18.457 6.350 1.00 0.00 O ATOM 188 NE2 GLN C 465 -12.268 -16.680 5.994 1.00 0.00 N ATOM 0 H GLN C 465 -13.084 -14.124 9.670 1.00 0.00 H new ATOM 0 HA GLN C 465 -13.273 -16.640 8.380 1.00 0.00 H new ATOM 0 HB2 GLN C 465 -11.792 -14.775 7.688 1.00 0.00 H new ATOM 0 HB3 GLN C 465 -10.854 -14.969 9.156 1.00 0.00 H new ATOM 0 HG2 GLN C 465 -9.704 -16.025 7.285 1.00 0.00 H new ATOM 0 HG3 GLN C 465 -10.180 -17.237 8.457 1.00 0.00 H new ATOM 0 HE21 GLN C 465 -12.510 -15.723 6.250 1.00 0.00 H new ATOM 0 HE22 GLN C 465 -12.780 -17.154 5.250 1.00 0.00 H new ATOM 197 N GLU C 466 -12.080 -16.607 11.404 1.00 0.00 N ATOM 198 CA GLU C 466 -11.704 -17.435 12.522 1.00 0.00 C ATOM 199 C GLU C 466 -12.865 -18.330 12.938 1.00 0.00 C ATOM 200 O GLU C 466 -12.689 -19.529 13.175 1.00 0.00 O ATOM 201 CB GLU C 466 -11.253 -16.560 13.684 1.00 0.00 C ATOM 202 CG GLU C 466 -9.948 -15.830 13.419 1.00 0.00 C ATOM 203 CD GLU C 466 -8.831 -16.777 13.050 1.00 0.00 C ATOM 204 OE1 GLU C 466 -8.260 -17.408 13.961 1.00 0.00 O ATOM 205 OE2 GLU C 466 -8.522 -16.902 11.848 1.00 0.00 O ATOM 0 H GLU C 466 -12.218 -15.624 11.637 1.00 0.00 H new ATOM 0 HA GLU C 466 -10.874 -18.076 12.225 1.00 0.00 H new ATOM 0 HB2 GLU C 466 -12.032 -15.829 13.902 1.00 0.00 H new ATOM 0 HB3 GLU C 466 -11.140 -17.180 14.573 1.00 0.00 H new ATOM 0 HG2 GLU C 466 -10.093 -15.110 12.613 1.00 0.00 H new ATOM 0 HG3 GLU C 466 -9.664 -15.263 14.306 1.00 0.00 H new ATOM 212 N MET C 467 -14.047 -17.745 13.006 1.00 0.00 N ATOM 213 CA MET C 467 -15.244 -18.479 13.382 1.00 0.00 C ATOM 214 C MET C 467 -15.696 -19.399 12.253 1.00 0.00 C ATOM 215 O MET C 467 -16.096 -20.537 12.487 1.00 0.00 O ATOM 216 CB MET C 467 -16.374 -17.517 13.750 1.00 0.00 C ATOM 217 CG MET C 467 -16.067 -16.620 14.940 1.00 0.00 C ATOM 218 SD MET C 467 -17.477 -15.597 15.426 1.00 0.00 S ATOM 219 CE MET C 467 -17.758 -14.652 13.927 1.00 0.00 C ATOM 0 H MET C 467 -14.205 -16.758 12.805 1.00 0.00 H new ATOM 0 HA MET C 467 -15.001 -19.088 14.252 1.00 0.00 H new ATOM 0 HB2 MET C 467 -16.599 -16.891 12.886 1.00 0.00 H new ATOM 0 HB3 MET C 467 -17.272 -18.095 13.967 1.00 0.00 H new ATOM 0 HG2 MET C 467 -15.762 -17.237 15.786 1.00 0.00 H new ATOM 0 HG3 MET C 467 -15.223 -15.975 14.695 1.00 0.00 H new ATOM 0 HE1 MET C 467 -18.502 -13.879 14.118 1.00 0.00 H new ATOM 0 HE2 MET C 467 -16.825 -14.186 13.610 1.00 0.00 H new ATOM 0 HE3 MET C 467 -18.118 -15.316 13.141 1.00 0.00 H new ATOM 229 N PHE C 468 -15.626 -18.900 11.034 1.00 0.00 N ATOM 230 CA PHE C 468 -16.042 -19.649 9.861 1.00 0.00 C ATOM 231 C PHE C 468 -14.920 -19.713 8.823 1.00 0.00 C ATOM 232 O PHE C 468 -14.922 -18.958 7.853 1.00 0.00 O ATOM 233 CB PHE C 468 -17.293 -19.009 9.236 1.00 0.00 C ATOM 234 CG PHE C 468 -18.533 -19.138 10.075 1.00 0.00 C ATOM 235 CD1 PHE C 468 -18.746 -18.299 11.154 1.00 0.00 C ATOM 236 CD2 PHE C 468 -19.481 -20.101 9.785 1.00 0.00 C ATOM 237 CE1 PHE C 468 -19.880 -18.419 11.927 1.00 0.00 C ATOM 238 CE2 PHE C 468 -20.621 -20.227 10.557 1.00 0.00 C ATOM 239 CZ PHE C 468 -20.819 -19.384 11.630 1.00 0.00 C ATOM 0 H PHE C 468 -15.279 -17.963 10.827 1.00 0.00 H new ATOM 0 HA PHE C 468 -16.278 -20.665 10.178 1.00 0.00 H new ATOM 0 HB2 PHE C 468 -17.096 -17.952 9.058 1.00 0.00 H new ATOM 0 HB3 PHE C 468 -17.476 -19.468 8.264 1.00 0.00 H new ATOM 0 HD1 PHE C 468 -18.015 -17.541 11.393 1.00 0.00 H new ATOM 0 HD2 PHE C 468 -19.329 -20.763 8.945 1.00 0.00 H new ATOM 0 HE1 PHE C 468 -20.034 -17.757 12.766 1.00 0.00 H new ATOM 0 HE2 PHE C 468 -21.354 -20.984 10.320 1.00 0.00 H new ATOM 0 HZ PHE C 468 -21.708 -19.479 12.236 1.00 0.00 H new ATOM 249 N PRO C 469 -13.937 -20.613 9.019 1.00 0.00 N ATOM 250 CA PRO C 469 -12.811 -20.781 8.086 1.00 0.00 C ATOM 251 C PRO C 469 -13.240 -21.426 6.768 1.00 0.00 C ATOM 252 O PRO C 469 -12.437 -21.585 5.845 1.00 0.00 O ATOM 253 CB PRO C 469 -11.869 -21.716 8.842 1.00 0.00 C ATOM 254 CG PRO C 469 -12.767 -22.486 9.735 1.00 0.00 C ATOM 255 CD PRO C 469 -13.819 -21.517 10.174 1.00 0.00 C ATOM 0 HA PRO C 469 -12.366 -19.826 7.809 1.00 0.00 H new ATOM 0 HB2 PRO C 469 -11.326 -22.371 8.161 1.00 0.00 H new ATOM 0 HB3 PRO C 469 -11.124 -21.158 9.410 1.00 0.00 H new ATOM 0 HG2 PRO C 469 -13.208 -23.334 9.212 1.00 0.00 H new ATOM 0 HG3 PRO C 469 -12.222 -22.887 10.589 1.00 0.00 H new ATOM 0 HD2 PRO C 469 -14.762 -22.017 10.393 1.00 0.00 H new ATOM 0 HD3 PRO C 469 -13.524 -20.982 11.077 1.00 0.00 H new ATOM 263 N GLN C 470 -14.502 -21.808 6.695 1.00 0.00 N ATOM 264 CA GLN C 470 -15.050 -22.438 5.506 1.00 0.00 C ATOM 265 C GLN C 470 -15.298 -21.431 4.380 1.00 0.00 C ATOM 266 O GLN C 470 -15.347 -21.802 3.213 1.00 0.00 O ATOM 267 CB GLN C 470 -16.355 -23.181 5.832 1.00 0.00 C ATOM 268 CG GLN C 470 -17.380 -22.336 6.577 1.00 0.00 C ATOM 269 CD GLN C 470 -18.806 -22.809 6.357 1.00 0.00 C ATOM 270 OE1 GLN C 470 -19.145 -23.319 5.289 1.00 0.00 O ATOM 271 NE2 GLN C 470 -19.650 -22.650 7.363 1.00 0.00 N ATOM 0 H GLN C 470 -15.174 -21.691 7.454 1.00 0.00 H new ATOM 0 HA GLN C 470 -14.304 -23.153 5.159 1.00 0.00 H new ATOM 0 HB2 GLN C 470 -16.800 -23.538 4.903 1.00 0.00 H new ATOM 0 HB3 GLN C 470 -16.120 -24.061 6.431 1.00 0.00 H new ATOM 0 HG2 GLN C 470 -17.156 -22.358 7.643 1.00 0.00 H new ATOM 0 HG3 GLN C 470 -17.292 -21.299 6.254 1.00 0.00 H new ATOM 0 HE21 GLN C 470 -19.332 -22.223 8.233 1.00 0.00 H new ATOM 0 HE22 GLN C 470 -20.619 -22.954 7.269 1.00 0.00 H new ATOM 280 N VAL C 471 -15.444 -20.161 4.727 1.00 0.00 N ATOM 281 CA VAL C 471 -15.757 -19.151 3.730 1.00 0.00 C ATOM 282 C VAL C 471 -14.510 -18.374 3.282 1.00 0.00 C ATOM 283 O VAL C 471 -13.508 -18.313 4.005 1.00 0.00 O ATOM 284 CB VAL C 471 -16.827 -18.162 4.239 1.00 0.00 C ATOM 285 CG1 VAL C 471 -18.060 -18.900 4.722 1.00 0.00 C ATOM 286 CG2 VAL C 471 -16.268 -17.268 5.325 1.00 0.00 C ATOM 0 H VAL C 471 -15.352 -19.809 5.680 1.00 0.00 H new ATOM 0 HA VAL C 471 -16.154 -19.688 2.869 1.00 0.00 H new ATOM 0 HB VAL C 471 -17.122 -17.527 3.404 1.00 0.00 H new ATOM 0 HG11 VAL C 471 -18.799 -18.181 5.076 1.00 0.00 H new ATOM 0 HG12 VAL C 471 -18.482 -19.480 3.901 1.00 0.00 H new ATOM 0 HG13 VAL C 471 -17.787 -19.570 5.537 1.00 0.00 H new ATOM 0 HG21 VAL C 471 -17.043 -16.581 5.665 1.00 0.00 H new ATOM 0 HG22 VAL C 471 -15.932 -17.879 6.162 1.00 0.00 H new ATOM 0 HG23 VAL C 471 -15.426 -16.699 4.930 1.00 0.00 H new ATOM 296 N PRO C 472 -14.564 -17.775 2.077 1.00 0.00 N ATOM 297 CA PRO C 472 -13.462 -16.992 1.511 1.00 0.00 C ATOM 298 C PRO C 472 -13.339 -15.622 2.164 1.00 0.00 C ATOM 299 O PRO C 472 -14.297 -14.848 2.199 1.00 0.00 O ATOM 300 CB PRO C 472 -13.846 -16.834 0.031 1.00 0.00 C ATOM 301 CG PRO C 472 -15.008 -17.745 -0.163 1.00 0.00 C ATOM 302 CD PRO C 472 -15.691 -17.820 1.161 1.00 0.00 C ATOM 0 HA PRO C 472 -12.500 -17.481 1.665 1.00 0.00 H new ATOM 0 HB2 PRO C 472 -14.110 -15.802 -0.201 1.00 0.00 H new ATOM 0 HB3 PRO C 472 -13.018 -17.106 -0.623 1.00 0.00 H new ATOM 0 HG2 PRO C 472 -15.682 -17.362 -0.929 1.00 0.00 H new ATOM 0 HG3 PRO C 472 -14.681 -18.732 -0.491 1.00 0.00 H new ATOM 0 HD2 PRO C 472 -16.377 -16.987 1.315 1.00 0.00 H new ATOM 0 HD3 PRO C 472 -16.271 -18.736 1.271 1.00 0.00 H new ATOM 310 N TYR C 473 -12.147 -15.332 2.642 1.00 0.00 N ATOM 311 CA TYR C 473 -11.842 -14.087 3.352 1.00 0.00 C ATOM 312 C TYR C 473 -12.246 -12.848 2.542 1.00 0.00 C ATOM 313 O TYR C 473 -12.869 -11.927 3.066 1.00 0.00 O ATOM 314 CB TYR C 473 -10.339 -14.040 3.652 1.00 0.00 C ATOM 315 CG TYR C 473 -9.924 -13.018 4.688 1.00 0.00 C ATOM 316 CD1 TYR C 473 -9.669 -11.696 4.343 1.00 0.00 C ATOM 317 CD2 TYR C 473 -9.774 -13.385 6.011 1.00 0.00 C ATOM 318 CE1 TYR C 473 -9.277 -10.775 5.298 1.00 0.00 C ATOM 319 CE2 TYR C 473 -9.384 -12.476 6.968 1.00 0.00 C ATOM 320 CZ TYR C 473 -9.138 -11.174 6.609 1.00 0.00 C ATOM 321 OH TYR C 473 -8.747 -10.267 7.568 1.00 0.00 O ATOM 0 H TYR C 473 -11.345 -15.956 2.552 1.00 0.00 H new ATOM 0 HA TYR C 473 -12.418 -14.074 4.277 1.00 0.00 H new ATOM 0 HB2 TYR C 473 -10.020 -15.026 3.989 1.00 0.00 H new ATOM 0 HB3 TYR C 473 -9.805 -13.832 2.725 1.00 0.00 H new ATOM 0 HD1 TYR C 473 -9.778 -11.383 3.315 1.00 0.00 H new ATOM 0 HD2 TYR C 473 -9.967 -14.407 6.301 1.00 0.00 H new ATOM 0 HE1 TYR C 473 -9.081 -9.751 5.018 1.00 0.00 H new ATOM 0 HE2 TYR C 473 -9.272 -12.786 7.997 1.00 0.00 H new ATOM 0 HH TYR C 473 -9.517 -9.724 7.838 1.00 0.00 H new ATOM 331 N HIS C 474 -11.906 -12.846 1.264 1.00 0.00 N ATOM 332 CA HIS C 474 -12.151 -11.693 0.400 1.00 0.00 C ATOM 333 C HIS C 474 -13.638 -11.489 0.128 1.00 0.00 C ATOM 334 O HIS C 474 -14.097 -10.356 0.007 1.00 0.00 O ATOM 335 CB HIS C 474 -11.387 -11.846 -0.907 1.00 0.00 C ATOM 336 CG HIS C 474 -11.202 -10.563 -1.660 1.00 0.00 C ATOM 337 ND1 HIS C 474 -10.079 -9.775 -1.534 1.00 0.00 N ATOM 338 CD2 HIS C 474 -11.999 -9.933 -2.551 1.00 0.00 C ATOM 339 CE1 HIS C 474 -10.194 -8.719 -2.313 1.00 0.00 C ATOM 340 NE2 HIS C 474 -11.351 -8.790 -2.943 1.00 0.00 N ATOM 0 H HIS C 474 -11.457 -13.633 0.795 1.00 0.00 H new ATOM 0 HA HIS C 474 -11.793 -10.806 0.923 1.00 0.00 H new ATOM 0 HB2 HIS C 474 -10.408 -12.275 -0.695 1.00 0.00 H new ATOM 0 HB3 HIS C 474 -11.915 -12.556 -1.544 1.00 0.00 H new ATOM 0 HD2 HIS C 474 -12.968 -10.268 -2.892 1.00 0.00 H new ATOM 0 HE1 HIS C 474 -9.465 -7.929 -2.418 1.00 0.00 H new ATOM 0 HE2 HIS C 474 -11.705 -8.107 -3.612 1.00 0.00 H new ATOM 349 N LEU C 475 -14.394 -12.574 0.032 1.00 0.00 N ATOM 350 CA LEU C 475 -15.826 -12.455 -0.189 1.00 0.00 C ATOM 351 C LEU C 475 -16.504 -11.947 1.067 1.00 0.00 C ATOM 352 O LEU C 475 -17.571 -11.333 1.011 1.00 0.00 O ATOM 353 CB LEU C 475 -16.441 -13.775 -0.647 1.00 0.00 C ATOM 354 CG LEU C 475 -16.017 -14.269 -2.038 1.00 0.00 C ATOM 355 CD1 LEU C 475 -16.897 -15.424 -2.482 1.00 0.00 C ATOM 356 CD2 LEU C 475 -16.072 -13.137 -3.056 1.00 0.00 C ATOM 0 H LEU C 475 -14.046 -13.530 0.102 1.00 0.00 H new ATOM 0 HA LEU C 475 -15.985 -11.735 -0.992 1.00 0.00 H new ATOM 0 HB2 LEU C 475 -16.187 -14.544 0.083 1.00 0.00 H new ATOM 0 HB3 LEU C 475 -17.526 -13.671 -0.635 1.00 0.00 H new ATOM 0 HG LEU C 475 -14.987 -14.620 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU C 475 -16.583 -15.762 -3.470 1.00 0.00 H new ATOM 0 HD12 LEU C 475 -16.805 -16.245 -1.771 1.00 0.00 H new ATOM 0 HD13 LEU C 475 -17.935 -15.095 -2.524 1.00 0.00 H new ATOM 0 HD21 LEU C 475 -15.767 -13.511 -4.033 1.00 0.00 H new ATOM 0 HD22 LEU C 475 -17.090 -12.751 -3.116 1.00 0.00 H new ATOM 0 HD23 LEU C 475 -15.398 -12.337 -2.748 1.00 0.00 H new ATOM 368 N VAL C 476 -15.866 -12.190 2.202 1.00 0.00 N ATOM 369 CA VAL C 476 -16.359 -11.682 3.469 1.00 0.00 C ATOM 370 C VAL C 476 -16.103 -10.182 3.525 1.00 0.00 C ATOM 371 O VAL C 476 -16.970 -9.407 3.913 1.00 0.00 O ATOM 372 CB VAL C 476 -15.675 -12.382 4.673 1.00 0.00 C ATOM 373 CG1 VAL C 476 -16.189 -11.826 5.986 1.00 0.00 C ATOM 374 CG2 VAL C 476 -15.905 -13.877 4.616 1.00 0.00 C ATOM 0 H VAL C 476 -15.007 -12.735 2.270 1.00 0.00 H new ATOM 0 HA VAL C 476 -17.427 -11.889 3.537 1.00 0.00 H new ATOM 0 HB VAL C 476 -14.604 -12.187 4.613 1.00 0.00 H new ATOM 0 HG11 VAL C 476 -15.694 -12.333 6.814 1.00 0.00 H new ATOM 0 HG12 VAL C 476 -15.978 -10.758 6.036 1.00 0.00 H new ATOM 0 HG13 VAL C 476 -17.265 -11.987 6.053 1.00 0.00 H new ATOM 0 HG21 VAL C 476 -15.419 -14.353 5.468 1.00 0.00 H new ATOM 0 HG22 VAL C 476 -16.975 -14.082 4.648 1.00 0.00 H new ATOM 0 HG23 VAL C 476 -15.487 -14.274 3.691 1.00 0.00 H new ATOM 384 N LEU C 477 -14.904 -9.789 3.090 1.00 0.00 N ATOM 385 CA LEU C 477 -14.509 -8.381 3.001 1.00 0.00 C ATOM 386 C LEU C 477 -15.541 -7.584 2.218 1.00 0.00 C ATOM 387 O LEU C 477 -15.842 -6.434 2.548 1.00 0.00 O ATOM 388 CB LEU C 477 -13.154 -8.274 2.292 1.00 0.00 C ATOM 389 CG LEU C 477 -11.956 -8.858 3.026 1.00 0.00 C ATOM 390 CD1 LEU C 477 -10.691 -8.674 2.205 1.00 0.00 C ATOM 391 CD2 LEU C 477 -11.801 -8.207 4.380 1.00 0.00 C ATOM 0 H LEU C 477 -14.178 -10.439 2.789 1.00 0.00 H new ATOM 0 HA LEU C 477 -14.438 -7.976 4.011 1.00 0.00 H new ATOM 0 HB2 LEU C 477 -13.235 -8.769 1.324 1.00 0.00 H new ATOM 0 HB3 LEU C 477 -12.954 -7.221 2.096 1.00 0.00 H new ATOM 0 HG LEU C 477 -12.125 -9.925 3.170 1.00 0.00 H new ATOM 0 HD11 LEU C 477 -9.843 -9.097 2.744 1.00 0.00 H new ATOM 0 HD12 LEU C 477 -10.802 -9.182 1.247 1.00 0.00 H new ATOM 0 HD13 LEU C 477 -10.519 -7.611 2.035 1.00 0.00 H new ATOM 0 HD21 LEU C 477 -10.940 -8.635 4.893 1.00 0.00 H new ATOM 0 HD22 LEU C 477 -11.652 -7.135 4.253 1.00 0.00 H new ATOM 0 HD23 LEU C 477 -12.699 -8.381 4.972 1.00 0.00 H new ATOM 403 N GLN C 478 -16.072 -8.204 1.174 1.00 0.00 N ATOM 404 CA GLN C 478 -17.073 -7.586 0.343 1.00 0.00 C ATOM 405 C GLN C 478 -18.346 -7.310 1.138 1.00 0.00 C ATOM 406 O GLN C 478 -18.899 -6.222 1.067 1.00 0.00 O ATOM 407 CB GLN C 478 -17.381 -8.476 -0.854 1.00 0.00 C ATOM 408 CG GLN C 478 -18.313 -7.837 -1.859 1.00 0.00 C ATOM 409 CD GLN C 478 -18.584 -8.720 -3.059 1.00 0.00 C ATOM 410 OE1 GLN C 478 -18.618 -10.020 -2.848 1.00 0.00 O flip ATOM 411 NE2 GLN C 478 -18.783 -8.228 -4.168 1.00 0.00 N flip ATOM 0 H GLN C 478 -15.816 -9.148 0.886 1.00 0.00 H new ATOM 0 HA GLN C 478 -16.682 -6.633 -0.014 1.00 0.00 H new ATOM 0 HB2 GLN C 478 -16.447 -8.737 -1.352 1.00 0.00 H new ATOM 0 HB3 GLN C 478 -17.825 -9.407 -0.500 1.00 0.00 H new ATOM 0 HG2 GLN C 478 -19.257 -7.598 -1.370 1.00 0.00 H new ATOM 0 HG3 GLN C 478 -17.882 -6.895 -2.198 1.00 0.00 H new ATOM 0 HE21 GLN C 478 -18.748 -7.216 -4.291 1.00 0.00 H new ATOM 0 HE22 GLN C 478 -18.983 -8.832 -4.965 1.00 0.00 H new ATOM 420 N ASP C 479 -18.793 -8.289 1.915 1.00 0.00 N ATOM 421 CA ASP C 479 -20.012 -8.126 2.712 1.00 0.00 C ATOM 422 C ASP C 479 -19.810 -7.063 3.774 1.00 0.00 C ATOM 423 O ASP C 479 -20.739 -6.366 4.150 1.00 0.00 O ATOM 424 CB ASP C 479 -20.419 -9.435 3.371 1.00 0.00 C ATOM 425 CG ASP C 479 -21.833 -9.385 3.942 1.00 0.00 C ATOM 426 OD1 ASP C 479 -22.025 -8.857 5.069 1.00 0.00 O ATOM 427 OD2 ASP C 479 -22.755 -9.874 3.263 1.00 0.00 O ATOM 0 H ASP C 479 -18.338 -9.197 2.013 1.00 0.00 H new ATOM 0 HA ASP C 479 -20.810 -7.816 2.037 1.00 0.00 H new ATOM 0 HB2 ASP C 479 -20.353 -10.242 2.641 1.00 0.00 H new ATOM 0 HB3 ASP C 479 -19.716 -9.670 4.170 1.00 0.00 H new ATOM 432 N LEU C 480 -18.582 -6.930 4.250 1.00 0.00 N ATOM 433 CA LEU C 480 -18.262 -5.907 5.219 1.00 0.00 C ATOM 434 C LEU C 480 -18.357 -4.515 4.598 1.00 0.00 C ATOM 435 O LEU C 480 -18.385 -3.520 5.301 1.00 0.00 O ATOM 436 CB LEU C 480 -16.901 -6.145 5.879 1.00 0.00 C ATOM 437 CG LEU C 480 -16.914 -7.011 7.146 1.00 0.00 C ATOM 438 CD1 LEU C 480 -18.040 -6.600 8.077 1.00 0.00 C ATOM 439 CD2 LEU C 480 -17.048 -8.459 6.796 1.00 0.00 C ATOM 0 H LEU C 480 -17.795 -7.519 3.978 1.00 0.00 H new ATOM 0 HA LEU C 480 -19.006 -5.966 6.013 1.00 0.00 H new ATOM 0 HB2 LEU C 480 -16.241 -6.613 5.149 1.00 0.00 H new ATOM 0 HB3 LEU C 480 -16.465 -5.177 6.128 1.00 0.00 H new ATOM 0 HG LEU C 480 -15.965 -6.858 7.660 1.00 0.00 H new ATOM 0 HD11 LEU C 480 -18.025 -7.230 8.966 1.00 0.00 H new ATOM 0 HD12 LEU C 480 -17.909 -5.558 8.369 1.00 0.00 H new ATOM 0 HD13 LEU C 480 -18.996 -6.716 7.566 1.00 0.00 H new ATOM 0 HD21 LEU C 480 -17.055 -9.055 7.709 1.00 0.00 H new ATOM 0 HD22 LEU C 480 -17.979 -8.617 6.252 1.00 0.00 H new ATOM 0 HD23 LEU C 480 -16.207 -8.762 6.172 1.00 0.00 H new ATOM 451 N GLN C 481 -18.384 -4.460 3.275 1.00 0.00 N ATOM 452 CA GLN C 481 -18.641 -3.216 2.568 1.00 0.00 C ATOM 453 C GLN C 481 -20.147 -3.009 2.503 1.00 0.00 C ATOM 454 O GLN C 481 -20.653 -1.888 2.582 1.00 0.00 O ATOM 455 CB GLN C 481 -18.093 -3.285 1.144 1.00 0.00 C ATOM 456 CG GLN C 481 -16.587 -3.229 1.039 1.00 0.00 C ATOM 457 CD GLN C 481 -16.031 -1.844 1.276 1.00 0.00 C ATOM 458 OE1 GLN C 481 -14.792 -1.778 1.698 1.00 0.00 O flip ATOM 459 NE2 GLN C 481 -16.704 -0.839 1.045 1.00 0.00 N flip ATOM 0 H GLN C 481 -18.230 -5.265 2.668 1.00 0.00 H new ATOM 0 HA GLN C 481 -18.153 -2.395 3.093 1.00 0.00 H new ATOM 0 HB2 GLN C 481 -18.441 -4.208 0.681 1.00 0.00 H new ATOM 0 HB3 GLN C 481 -18.514 -2.461 0.568 1.00 0.00 H new ATOM 0 HG2 GLN C 481 -16.152 -3.918 1.763 1.00 0.00 H new ATOM 0 HG3 GLN C 481 -16.284 -3.572 0.050 1.00 0.00 H new ATOM 0 HE21 GLN C 481 -17.665 -0.933 0.718 1.00 0.00 H new ATOM 0 HE22 GLN C 481 -16.300 0.088 1.181 1.00 0.00 H new ATOM 468 N LEU C 482 -20.849 -4.123 2.359 1.00 0.00 N ATOM 469 CA LEU C 482 -22.292 -4.154 2.264 1.00 0.00 C ATOM 470 C LEU C 482 -22.952 -3.807 3.591 1.00 0.00 C ATOM 471 O LEU C 482 -23.783 -2.904 3.662 1.00 0.00 O ATOM 472 CB LEU C 482 -22.750 -5.555 1.832 1.00 0.00 C ATOM 473 CG LEU C 482 -22.797 -5.850 0.328 1.00 0.00 C ATOM 474 CD1 LEU C 482 -23.928 -5.094 -0.320 1.00 0.00 C ATOM 475 CD2 LEU C 482 -21.482 -5.517 -0.352 1.00 0.00 C ATOM 0 H LEU C 482 -20.419 -5.046 2.304 1.00 0.00 H new ATOM 0 HA LEU C 482 -22.591 -3.409 1.526 1.00 0.00 H new ATOM 0 HB2 LEU C 482 -22.087 -6.284 2.298 1.00 0.00 H new ATOM 0 HB3 LEU C 482 -23.747 -5.724 2.240 1.00 0.00 H new ATOM 0 HG LEU C 482 -22.969 -6.920 0.208 1.00 0.00 H new ATOM 0 HD11 LEU C 482 -23.948 -5.314 -1.387 1.00 0.00 H new ATOM 0 HD12 LEU C 482 -24.873 -5.397 0.131 1.00 0.00 H new ATOM 0 HD13 LEU C 482 -23.782 -4.024 -0.173 1.00 0.00 H new ATOM 0 HD21 LEU C 482 -21.556 -5.740 -1.416 1.00 0.00 H new ATOM 0 HD22 LEU C 482 -21.261 -4.458 -0.218 1.00 0.00 H new ATOM 0 HD23 LEU C 482 -20.683 -6.113 0.089 1.00 0.00 H new ATOM 487 N THR C 483 -22.590 -4.526 4.635 1.00 0.00 N ATOM 488 CA THR C 483 -23.243 -4.363 5.915 1.00 0.00 C ATOM 489 C THR C 483 -22.371 -3.650 6.936 1.00 0.00 C ATOM 490 O THR C 483 -22.883 -2.939 7.799 1.00 0.00 O ATOM 491 CB THR C 483 -23.665 -5.727 6.476 1.00 0.00 C ATOM 492 OG1 THR C 483 -22.514 -6.582 6.578 1.00 0.00 O ATOM 493 CG2 THR C 483 -24.698 -6.375 5.570 1.00 0.00 C ATOM 0 H THR C 483 -21.849 -5.227 4.621 1.00 0.00 H new ATOM 0 HA THR C 483 -24.120 -3.740 5.737 1.00 0.00 H new ATOM 0 HB THR C 483 -24.103 -5.581 7.463 1.00 0.00 H new ATOM 0 HG1 THR C 483 -22.592 -7.314 5.931 1.00 0.00 H new ATOM 0 HG21 THR C 483 -24.987 -7.342 5.981 1.00 0.00 H new ATOM 0 HG22 THR C 483 -25.576 -5.733 5.501 1.00 0.00 H new ATOM 0 HG23 THR C 483 -24.273 -6.516 4.576 1.00 0.00 H new ATOM 501 N ARG C 484 -21.046 -3.842 6.835 1.00 0.00 N ATOM 502 CA ARG C 484 -20.099 -3.286 7.797 1.00 0.00 C ATOM 503 C ARG C 484 -20.371 -3.827 9.203 1.00 0.00 C ATOM 504 O ARG C 484 -19.982 -3.222 10.203 1.00 0.00 O ATOM 505 CB ARG C 484 -20.147 -1.760 7.793 1.00 0.00 C ATOM 506 CG ARG C 484 -19.769 -1.129 6.469 1.00 0.00 C ATOM 507 CD ARG C 484 -19.749 0.375 6.576 1.00 0.00 C ATOM 508 NE ARG C 484 -19.323 1.018 5.329 1.00 0.00 N ATOM 509 CZ ARG C 484 -19.089 2.331 5.198 1.00 0.00 C ATOM 510 NH1 ARG C 484 -19.215 3.145 6.241 1.00 0.00 N ATOM 511 NH2 ARG C 484 -18.719 2.824 4.025 1.00 0.00 N ATOM 0 H ARG C 484 -20.610 -4.383 6.088 1.00 0.00 H new ATOM 0 HA ARG C 484 -19.098 -3.596 7.497 1.00 0.00 H new ATOM 0 HB2 ARG C 484 -21.154 -1.439 8.061 1.00 0.00 H new ATOM 0 HB3 ARG C 484 -19.476 -1.385 8.566 1.00 0.00 H new ATOM 0 HG2 ARG C 484 -18.788 -1.488 6.157 1.00 0.00 H new ATOM 0 HG3 ARG C 484 -20.479 -1.434 5.700 1.00 0.00 H new ATOM 0 HD2 ARG C 484 -20.744 0.731 6.844 1.00 0.00 H new ATOM 0 HD3 ARG C 484 -19.077 0.670 7.382 1.00 0.00 H new ATOM 0 HE ARG C 484 -19.196 0.427 4.507 1.00 0.00 H new ATOM 0 HH11 ARG C 484 -19.491 2.771 7.149 1.00 0.00 H new ATOM 0 HH12 ARG C 484 -19.035 4.143 6.134 1.00 0.00 H new ATOM 0 HH21 ARG C 484 -18.612 2.204 3.222 1.00 0.00 H new ATOM 0 HH22 ARG C 484 -18.541 3.823 3.925 1.00 0.00 H new ATOM 525 N SER C 485 -21.022 -4.979 9.265 1.00 0.00 N ATOM 526 CA SER C 485 -21.373 -5.597 10.524 1.00 0.00 C ATOM 527 C SER C 485 -21.099 -7.083 10.461 1.00 0.00 C ATOM 528 O SER C 485 -21.794 -7.807 9.754 1.00 0.00 O ATOM 529 CB SER C 485 -22.854 -5.366 10.823 1.00 0.00 C ATOM 530 OG SER C 485 -23.184 -5.777 12.140 1.00 0.00 O ATOM 0 H SER C 485 -21.319 -5.506 8.444 1.00 0.00 H new ATOM 0 HA SER C 485 -20.771 -5.151 11.316 1.00 0.00 H new ATOM 0 HB2 SER C 485 -23.092 -4.309 10.699 1.00 0.00 H new ATOM 0 HB3 SER C 485 -23.462 -5.916 10.105 1.00 0.00 H new ATOM 0 HG SER C 485 -24.089 -5.473 12.360 1.00 0.00 H new ATOM 536 N VAL C 486 -20.098 -7.546 11.208 1.00 0.00 N ATOM 537 CA VAL C 486 -19.749 -8.957 11.202 1.00 0.00 C ATOM 538 C VAL C 486 -20.909 -9.810 11.704 1.00 0.00 C ATOM 539 O VAL C 486 -21.047 -10.975 11.325 1.00 0.00 O ATOM 540 CB VAL C 486 -18.473 -9.259 12.031 1.00 0.00 C ATOM 541 CG1 VAL C 486 -17.336 -8.361 11.608 1.00 0.00 C ATOM 542 CG2 VAL C 486 -18.719 -9.146 13.524 1.00 0.00 C ATOM 0 H VAL C 486 -19.522 -6.967 11.819 1.00 0.00 H new ATOM 0 HA VAL C 486 -19.536 -9.216 10.165 1.00 0.00 H new ATOM 0 HB VAL C 486 -18.196 -10.294 11.828 1.00 0.00 H new ATOM 0 HG11 VAL C 486 -16.451 -8.590 12.202 1.00 0.00 H new ATOM 0 HG12 VAL C 486 -17.117 -8.524 10.553 1.00 0.00 H new ATOM 0 HG13 VAL C 486 -17.618 -7.320 11.763 1.00 0.00 H new ATOM 0 HG21 VAL C 486 -17.797 -9.366 14.062 1.00 0.00 H new ATOM 0 HG22 VAL C 486 -19.046 -8.134 13.763 1.00 0.00 H new ATOM 0 HG23 VAL C 486 -19.491 -9.856 13.820 1.00 0.00 H new ATOM 552 N GLU C 487 -21.752 -9.217 12.541 1.00 0.00 N ATOM 553 CA GLU C 487 -22.917 -9.903 13.065 1.00 0.00 C ATOM 554 C GLU C 487 -23.889 -10.210 11.940 1.00 0.00 C ATOM 555 O GLU C 487 -24.517 -11.271 11.917 1.00 0.00 O ATOM 556 CB GLU C 487 -23.603 -9.060 14.133 1.00 0.00 C ATOM 557 CG GLU C 487 -22.720 -8.748 15.326 1.00 0.00 C ATOM 558 CD GLU C 487 -22.158 -9.992 15.970 1.00 0.00 C ATOM 559 OE1 GLU C 487 -22.949 -10.829 16.452 1.00 0.00 O ATOM 560 OE2 GLU C 487 -20.926 -10.139 16.004 1.00 0.00 O ATOM 0 H GLU C 487 -21.646 -8.257 12.870 1.00 0.00 H new ATOM 0 HA GLU C 487 -22.591 -10.838 13.521 1.00 0.00 H new ATOM 0 HB2 GLU C 487 -23.937 -8.124 13.685 1.00 0.00 H new ATOM 0 HB3 GLU C 487 -24.494 -9.584 14.479 1.00 0.00 H new ATOM 0 HG2 GLU C 487 -21.899 -8.105 15.008 1.00 0.00 H new ATOM 0 HG3 GLU C 487 -23.296 -8.189 16.064 1.00 0.00 H new ATOM 567 N ILE C 488 -24.003 -9.286 10.999 1.00 0.00 N ATOM 568 CA ILE C 488 -24.865 -9.485 9.857 1.00 0.00 C ATOM 569 C ILE C 488 -24.167 -10.369 8.846 1.00 0.00 C ATOM 570 O ILE C 488 -24.720 -11.341 8.409 1.00 0.00 O ATOM 571 CB ILE C 488 -25.265 -8.157 9.179 1.00 0.00 C ATOM 572 CG1 ILE C 488 -25.849 -7.183 10.210 1.00 0.00 C ATOM 573 CG2 ILE C 488 -26.281 -8.423 8.071 1.00 0.00 C ATOM 574 CD1 ILE C 488 -26.265 -5.846 9.629 1.00 0.00 C ATOM 0 H ILE C 488 -23.508 -8.394 11.008 1.00 0.00 H new ATOM 0 HA ILE C 488 -25.778 -9.958 10.219 1.00 0.00 H new ATOM 0 HB ILE C 488 -24.374 -7.705 8.743 1.00 0.00 H new ATOM 0 HG12 ILE C 488 -26.714 -7.647 10.683 1.00 0.00 H new ATOM 0 HG13 ILE C 488 -25.110 -7.013 10.993 1.00 0.00 H new ATOM 0 HG21 ILE C 488 -26.558 -7.481 7.598 1.00 0.00 H new ATOM 0 HG22 ILE C 488 -25.842 -9.088 7.327 1.00 0.00 H new ATOM 0 HG23 ILE C 488 -27.169 -8.890 8.496 1.00 0.00 H new ATOM 0 HD11 ILE C 488 -26.668 -5.215 10.421 1.00 0.00 H new ATOM 0 HD12 ILE C 488 -25.399 -5.359 9.181 1.00 0.00 H new ATOM 0 HD13 ILE C 488 -27.028 -6.002 8.866 1.00 0.00 H new ATOM 586 N THR C 489 -22.934 -10.006 8.501 1.00 0.00 N ATOM 587 CA THR C 489 -22.092 -10.760 7.579 1.00 0.00 C ATOM 588 C THR C 489 -22.099 -12.271 7.884 1.00 0.00 C ATOM 589 O THR C 489 -22.199 -13.086 6.973 1.00 0.00 O ATOM 590 CB THR C 489 -20.648 -10.225 7.640 1.00 0.00 C ATOM 591 OG1 THR C 489 -20.656 -8.816 7.407 1.00 0.00 O ATOM 592 CG2 THR C 489 -19.761 -10.889 6.604 1.00 0.00 C ATOM 0 H THR C 489 -22.485 -9.164 8.862 1.00 0.00 H new ATOM 0 HA THR C 489 -22.501 -10.626 6.578 1.00 0.00 H new ATOM 0 HB THR C 489 -20.249 -10.450 8.629 1.00 0.00 H new ATOM 0 HG1 THR C 489 -21.041 -8.633 6.525 1.00 0.00 H new ATOM 0 HG21 THR C 489 -18.751 -10.486 6.678 1.00 0.00 H new ATOM 0 HG22 THR C 489 -19.737 -11.964 6.781 1.00 0.00 H new ATOM 0 HG23 THR C 489 -20.157 -10.695 5.607 1.00 0.00 H new ATOM 600 N THR C 490 -22.015 -12.633 9.158 1.00 0.00 N ATOM 601 CA THR C 490 -22.021 -14.034 9.545 1.00 0.00 C ATOM 602 C THR C 490 -23.371 -14.683 9.224 1.00 0.00 C ATOM 603 O THR C 490 -23.432 -15.781 8.666 1.00 0.00 O ATOM 604 CB THR C 490 -21.702 -14.200 11.043 1.00 0.00 C ATOM 605 OG1 THR C 490 -20.449 -13.565 11.340 1.00 0.00 O ATOM 606 CG2 THR C 490 -21.620 -15.668 11.407 1.00 0.00 C ATOM 0 H THR C 490 -21.942 -11.978 9.936 1.00 0.00 H new ATOM 0 HA THR C 490 -21.244 -14.536 8.969 1.00 0.00 H new ATOM 0 HB THR C 490 -22.499 -13.736 11.624 1.00 0.00 H new ATOM 0 HG1 THR C 490 -20.610 -12.640 11.621 1.00 0.00 H new ATOM 0 HG21 THR C 490 -21.394 -15.768 12.469 1.00 0.00 H new ATOM 0 HG22 THR C 490 -22.574 -16.150 11.192 1.00 0.00 H new ATOM 0 HG23 THR C 490 -20.833 -16.144 10.822 1.00 0.00 H new ATOM 614 N ASP C 491 -24.447 -13.983 9.553 1.00 0.00 N ATOM 615 CA ASP C 491 -25.797 -14.474 9.273 1.00 0.00 C ATOM 616 C ASP C 491 -26.031 -14.424 7.771 1.00 0.00 C ATOM 617 O ASP C 491 -26.729 -15.261 7.201 1.00 0.00 O ATOM 618 CB ASP C 491 -26.832 -13.615 10.006 1.00 0.00 C ATOM 619 CG ASP C 491 -28.213 -14.243 10.052 1.00 0.00 C ATOM 620 OD1 ASP C 491 -29.023 -13.993 9.135 1.00 0.00 O ATOM 621 OD2 ASP C 491 -28.502 -14.983 11.026 1.00 0.00 O ATOM 0 H ASP C 491 -24.416 -13.074 10.014 1.00 0.00 H new ATOM 0 HA ASP C 491 -25.900 -15.501 9.624 1.00 0.00 H new ATOM 0 HB2 ASP C 491 -26.488 -13.436 11.025 1.00 0.00 H new ATOM 0 HB3 ASP C 491 -26.899 -12.643 9.517 1.00 0.00 H new ATOM 626 N ASN C 492 -25.406 -13.434 7.146 1.00 0.00 N ATOM 627 CA ASN C 492 -25.428 -13.248 5.710 1.00 0.00 C ATOM 628 C ASN C 492 -24.869 -14.484 5.026 1.00 0.00 C ATOM 629 O ASN C 492 -25.462 -15.009 4.083 1.00 0.00 O ATOM 630 CB ASN C 492 -24.611 -11.999 5.322 1.00 0.00 C ATOM 631 CG ASN C 492 -25.477 -10.797 5.022 1.00 0.00 C ATOM 632 OD1 ASN C 492 -26.640 -10.930 4.629 1.00 0.00 O ATOM 633 ND2 ASN C 492 -24.915 -9.619 5.166 1.00 0.00 N ATOM 0 H ASN C 492 -24.860 -12.726 7.638 1.00 0.00 H new ATOM 0 HA ASN C 492 -26.457 -13.099 5.383 1.00 0.00 H new ATOM 0 HB2 ASN C 492 -23.926 -11.753 6.133 1.00 0.00 H new ATOM 0 HB3 ASN C 492 -24.001 -12.228 4.448 1.00 0.00 H new ATOM 0 HD21 ASN C 492 -25.442 -8.773 4.951 1.00 0.00 H new ATOM 0 HD22 ASN C 492 -23.951 -9.550 5.493 1.00 0.00 H new ATOM 640 N ILE C 493 -23.723 -14.953 5.525 1.00 0.00 N ATOM 641 CA ILE C 493 -23.096 -16.180 5.036 1.00 0.00 C ATOM 642 C ILE C 493 -24.105 -17.317 5.063 1.00 0.00 C ATOM 643 O ILE C 493 -24.269 -18.056 4.088 1.00 0.00 O ATOM 644 CB ILE C 493 -21.907 -16.596 5.948 1.00 0.00 C ATOM 645 CG1 ILE C 493 -20.810 -15.545 5.944 1.00 0.00 C ATOM 646 CG2 ILE C 493 -21.348 -17.943 5.528 1.00 0.00 C ATOM 647 CD1 ILE C 493 -19.718 -15.812 6.959 1.00 0.00 C ATOM 0 H ILE C 493 -23.207 -14.494 6.276 1.00 0.00 H new ATOM 0 HA ILE C 493 -22.742 -15.990 4.023 1.00 0.00 H new ATOM 0 HB ILE C 493 -22.290 -16.680 6.965 1.00 0.00 H new ATOM 0 HG12 ILE C 493 -20.367 -15.496 4.949 1.00 0.00 H new ATOM 0 HG13 ILE C 493 -21.251 -14.569 6.144 1.00 0.00 H new ATOM 0 HG21 ILE C 493 -20.518 -18.212 6.181 1.00 0.00 H new ATOM 0 HG22 ILE C 493 -22.128 -18.700 5.603 1.00 0.00 H new ATOM 0 HG23 ILE C 493 -20.996 -17.886 4.498 1.00 0.00 H new ATOM 0 HD11 ILE C 493 -18.968 -15.023 6.902 1.00 0.00 H new ATOM 0 HD12 ILE C 493 -20.149 -15.832 7.960 1.00 0.00 H new ATOM 0 HD13 ILE C 493 -19.251 -16.773 6.746 1.00 0.00 H new ATOM 659 N LEU C 494 -24.787 -17.418 6.183 1.00 0.00 N ATOM 660 CA LEU C 494 -25.752 -18.464 6.433 1.00 0.00 C ATOM 661 C LEU C 494 -27.001 -18.328 5.546 1.00 0.00 C ATOM 662 O LEU C 494 -27.676 -19.320 5.263 1.00 0.00 O ATOM 663 CB LEU C 494 -26.104 -18.458 7.921 1.00 0.00 C ATOM 664 CG LEU C 494 -24.913 -18.750 8.851 1.00 0.00 C ATOM 665 CD1 LEU C 494 -25.219 -18.358 10.284 1.00 0.00 C ATOM 666 CD2 LEU C 494 -24.520 -20.218 8.774 1.00 0.00 C ATOM 0 H LEU C 494 -24.684 -16.763 6.959 1.00 0.00 H new ATOM 0 HA LEU C 494 -25.311 -19.425 6.170 1.00 0.00 H new ATOM 0 HB2 LEU C 494 -26.523 -17.486 8.180 1.00 0.00 H new ATOM 0 HB3 LEU C 494 -26.882 -19.199 8.102 1.00 0.00 H new ATOM 0 HG LEU C 494 -24.073 -18.145 8.511 1.00 0.00 H new ATOM 0 HD11 LEU C 494 -24.357 -18.578 10.913 1.00 0.00 H new ATOM 0 HD12 LEU C 494 -25.440 -17.292 10.330 1.00 0.00 H new ATOM 0 HD13 LEU C 494 -26.081 -18.923 10.640 1.00 0.00 H new ATOM 0 HD21 LEU C 494 -23.676 -20.404 9.439 1.00 0.00 H new ATOM 0 HD22 LEU C 494 -25.364 -20.837 9.077 1.00 0.00 H new ATOM 0 HD23 LEU C 494 -24.237 -20.466 7.751 1.00 0.00 H new ATOM 678 N GLU C 495 -27.299 -17.107 5.096 1.00 0.00 N ATOM 679 CA GLU C 495 -28.437 -16.881 4.194 1.00 0.00 C ATOM 680 C GLU C 495 -28.072 -17.279 2.771 1.00 0.00 C ATOM 681 O GLU C 495 -28.946 -17.473 1.923 1.00 0.00 O ATOM 682 CB GLU C 495 -28.868 -15.410 4.186 1.00 0.00 C ATOM 683 CG GLU C 495 -29.360 -14.882 5.511 1.00 0.00 C ATOM 684 CD GLU C 495 -30.019 -13.528 5.375 1.00 0.00 C ATOM 685 OE1 GLU C 495 -29.313 -12.539 5.088 1.00 0.00 O ATOM 686 OE2 GLU C 495 -31.247 -13.444 5.558 1.00 0.00 O ATOM 0 H GLU C 495 -26.776 -16.265 5.337 1.00 0.00 H new ATOM 0 HA GLU C 495 -29.261 -17.493 4.561 1.00 0.00 H new ATOM 0 HB2 GLU C 495 -28.024 -14.802 3.860 1.00 0.00 H new ATOM 0 HB3 GLU C 495 -29.658 -15.282 3.445 1.00 0.00 H new ATOM 0 HG2 GLU C 495 -30.070 -15.589 5.941 1.00 0.00 H new ATOM 0 HG3 GLU C 495 -28.523 -14.809 6.205 1.00 0.00 H new ATOM 693 N GLY C 496 -26.780 -17.404 2.523 1.00 0.00 N ATOM 694 CA GLY C 496 -26.305 -17.701 1.193 1.00 0.00 C ATOM 695 C GLY C 496 -25.851 -16.444 0.491 1.00 0.00 C ATOM 696 O GLY C 496 -25.569 -16.450 -0.709 1.00 0.00 O ATOM 0 H GLY C 496 -26.047 -17.304 3.226 1.00 0.00 H new ATOM 0 HA2 GLY C 496 -25.479 -18.411 1.247 1.00 0.00 H new ATOM 0 HA3 GLY C 496 -27.098 -18.178 0.617 1.00 0.00 H new ATOM 700 N ARG C 497 -25.786 -15.352 1.253 1.00 0.00 N ATOM 701 CA ARG C 497 -25.346 -14.063 0.739 1.00 0.00 C ATOM 702 C ARG C 497 -23.922 -14.192 0.233 1.00 0.00 C ATOM 703 O ARG C 497 -23.563 -13.666 -0.818 1.00 0.00 O ATOM 704 CB ARG C 497 -25.393 -13.020 1.857 1.00 0.00 C ATOM 705 CG ARG C 497 -25.408 -11.584 1.385 1.00 0.00 C ATOM 706 CD ARG C 497 -26.778 -11.199 0.869 1.00 0.00 C ATOM 707 NE ARG C 497 -27.826 -11.430 1.873 1.00 0.00 N ATOM 708 CZ ARG C 497 -29.135 -11.300 1.642 1.00 0.00 C ATOM 709 NH1 ARG C 497 -29.569 -10.881 0.456 1.00 0.00 N ATOM 710 NH2 ARG C 497 -30.011 -11.576 2.602 1.00 0.00 N ATOM 0 H ARG C 497 -26.037 -15.340 2.242 1.00 0.00 H new ATOM 0 HA ARG C 497 -26.002 -13.750 -0.073 1.00 0.00 H new ATOM 0 HB2 ARG C 497 -26.281 -13.198 2.463 1.00 0.00 H new ATOM 0 HB3 ARG C 497 -24.530 -13.165 2.506 1.00 0.00 H new ATOM 0 HG2 ARG C 497 -25.126 -10.924 2.206 1.00 0.00 H new ATOM 0 HG3 ARG C 497 -24.667 -11.448 0.597 1.00 0.00 H new ATOM 0 HD2 ARG C 497 -26.776 -10.147 0.582 1.00 0.00 H new ATOM 0 HD3 ARG C 497 -27.003 -11.774 -0.029 1.00 0.00 H new ATOM 0 HE ARG C 497 -27.534 -11.708 2.810 1.00 0.00 H new ATOM 0 HH11 ARG C 497 -28.901 -10.657 -0.282 1.00 0.00 H new ATOM 0 HH12 ARG C 497 -30.570 -10.783 0.285 1.00 0.00 H new ATOM 0 HH21 ARG C 497 -29.684 -11.888 3.517 1.00 0.00 H new ATOM 0 HH22 ARG C 497 -31.010 -11.476 2.424 1.00 0.00 H new ATOM 724 N ILE C 498 -23.127 -14.917 0.993 1.00 0.00 N ATOM 725 CA ILE C 498 -21.749 -15.159 0.655 1.00 0.00 C ATOM 726 C ILE C 498 -21.574 -16.613 0.245 1.00 0.00 C ATOM 727 O ILE C 498 -21.606 -17.522 1.088 1.00 0.00 O ATOM 728 CB ILE C 498 -20.815 -14.832 1.844 1.00 0.00 C ATOM 729 CG1 ILE C 498 -21.008 -13.374 2.272 1.00 0.00 C ATOM 730 CG2 ILE C 498 -19.359 -15.091 1.467 1.00 0.00 C ATOM 731 CD1 ILE C 498 -20.301 -13.009 3.556 1.00 0.00 C ATOM 0 H ILE C 498 -23.425 -15.355 1.865 1.00 0.00 H new ATOM 0 HA ILE C 498 -21.479 -14.507 -0.175 1.00 0.00 H new ATOM 0 HB ILE C 498 -21.070 -15.481 2.682 1.00 0.00 H new ATOM 0 HG12 ILE C 498 -20.650 -12.722 1.475 1.00 0.00 H new ATOM 0 HG13 ILE C 498 -22.074 -13.179 2.389 1.00 0.00 H new ATOM 0 HG21 ILE C 498 -18.716 -14.856 2.315 1.00 0.00 H new ATOM 0 HG22 ILE C 498 -19.234 -16.140 1.197 1.00 0.00 H new ATOM 0 HG23 ILE C 498 -19.085 -14.463 0.619 1.00 0.00 H new ATOM 0 HD11 ILE C 498 -20.488 -11.961 3.789 1.00 0.00 H new ATOM 0 HD12 ILE C 498 -20.675 -13.633 4.367 1.00 0.00 H new ATOM 0 HD13 ILE C 498 -19.229 -13.169 3.439 1.00 0.00 H new ATOM 743 N GLN C 499 -21.436 -16.830 -1.044 1.00 0.00 N ATOM 744 CA GLN C 499 -21.265 -18.163 -1.583 1.00 0.00 C ATOM 745 C GLN C 499 -19.834 -18.631 -1.405 1.00 0.00 C ATOM 746 O GLN C 499 -18.903 -17.828 -1.406 1.00 0.00 O ATOM 747 CB GLN C 499 -21.652 -18.192 -3.061 1.00 0.00 C ATOM 748 CG GLN C 499 -23.138 -17.980 -3.308 1.00 0.00 C ATOM 749 CD GLN C 499 -23.983 -19.112 -2.755 1.00 0.00 C ATOM 750 OE1 GLN C 499 -23.543 -20.259 -2.695 1.00 0.00 O ATOM 751 NE2 GLN C 499 -25.193 -18.803 -2.350 1.00 0.00 N ATOM 0 H GLN C 499 -21.439 -16.091 -1.747 1.00 0.00 H new ATOM 0 HA GLN C 499 -21.920 -18.841 -1.037 1.00 0.00 H new ATOM 0 HB2 GLN C 499 -21.091 -17.421 -3.590 1.00 0.00 H new ATOM 0 HB3 GLN C 499 -21.355 -19.151 -3.487 1.00 0.00 H new ATOM 0 HG2 GLN C 499 -23.449 -17.041 -2.851 1.00 0.00 H new ATOM 0 HG3 GLN C 499 -23.316 -17.887 -4.379 1.00 0.00 H new ATOM 0 HE21 GLN C 499 -25.522 -17.840 -2.416 1.00 0.00 H new ATOM 0 HE22 GLN C 499 -25.804 -19.526 -1.970 1.00 0.00 H new ATOM 760 N VAL C 500 -19.665 -19.922 -1.239 1.00 0.00 N ATOM 761 CA VAL C 500 -18.351 -20.495 -1.056 1.00 0.00 C ATOM 762 C VAL C 500 -17.931 -21.269 -2.298 1.00 0.00 C ATOM 763 O VAL C 500 -18.462 -22.344 -2.573 1.00 0.00 O ATOM 764 CB VAL C 500 -18.308 -21.443 0.169 1.00 0.00 C ATOM 765 CG1 VAL C 500 -16.913 -22.024 0.354 1.00 0.00 C ATOM 766 CG2 VAL C 500 -18.755 -20.711 1.426 1.00 0.00 C ATOM 0 H VAL C 500 -20.427 -20.600 -1.227 1.00 0.00 H new ATOM 0 HA VAL C 500 -17.660 -19.670 -0.883 1.00 0.00 H new ATOM 0 HB VAL C 500 -18.997 -22.267 -0.013 1.00 0.00 H new ATOM 0 HG11 VAL C 500 -16.907 -22.686 1.220 1.00 0.00 H new ATOM 0 HG12 VAL C 500 -16.633 -22.587 -0.536 1.00 0.00 H new ATOM 0 HG13 VAL C 500 -16.200 -21.215 0.511 1.00 0.00 H new ATOM 0 HG21 VAL C 500 -18.718 -21.392 2.276 1.00 0.00 H new ATOM 0 HG22 VAL C 500 -18.092 -19.865 1.610 1.00 0.00 H new ATOM 0 HG23 VAL C 500 -19.775 -20.350 1.294 1.00 0.00 H new ATOM 776 N PRO C 501 -17.006 -20.716 -3.089 1.00 0.00 N ATOM 777 CA PRO C 501 -16.481 -21.390 -4.266 1.00 0.00 C ATOM 778 C PRO C 501 -15.600 -22.560 -3.859 1.00 0.00 C ATOM 779 O PRO C 501 -14.520 -22.370 -3.296 1.00 0.00 O ATOM 780 CB PRO C 501 -15.642 -20.310 -4.977 1.00 0.00 C ATOM 781 CG PRO C 501 -15.989 -19.028 -4.297 1.00 0.00 C ATOM 782 CD PRO C 501 -16.405 -19.397 -2.908 1.00 0.00 C ATOM 0 HA PRO C 501 -17.268 -21.797 -4.901 1.00 0.00 H new ATOM 0 HB2 PRO C 501 -14.576 -20.523 -4.894 1.00 0.00 H new ATOM 0 HB3 PRO C 501 -15.877 -20.267 -6.041 1.00 0.00 H new ATOM 0 HG2 PRO C 501 -15.135 -18.351 -4.282 1.00 0.00 H new ATOM 0 HG3 PRO C 501 -16.794 -18.514 -4.822 1.00 0.00 H new ATOM 0 HD2 PRO C 501 -15.555 -19.430 -2.227 1.00 0.00 H new ATOM 0 HD3 PRO C 501 -17.116 -18.682 -2.495 1.00 0.00 H new ATOM 790 N PHE C 502 -16.070 -23.760 -4.120 1.00 0.00 N ATOM 791 CA PHE C 502 -15.346 -24.959 -3.754 1.00 0.00 C ATOM 792 C PHE C 502 -14.193 -25.196 -4.718 1.00 0.00 C ATOM 793 O PHE C 502 -14.217 -24.696 -5.848 1.00 0.00 O ATOM 794 CB PHE C 502 -16.283 -26.167 -3.742 1.00 0.00 C ATOM 795 CG PHE C 502 -17.340 -26.099 -2.678 1.00 0.00 C ATOM 796 CD1 PHE C 502 -18.560 -25.512 -2.937 1.00 0.00 C ATOM 797 CD2 PHE C 502 -17.110 -26.628 -1.418 1.00 0.00 C ATOM 798 CE1 PHE C 502 -19.537 -25.448 -1.964 1.00 0.00 C ATOM 799 CE2 PHE C 502 -18.081 -26.568 -0.440 1.00 0.00 C ATOM 800 CZ PHE C 502 -19.296 -25.977 -0.713 1.00 0.00 C ATOM 0 H PHE C 502 -16.959 -23.933 -4.589 1.00 0.00 H new ATOM 0 HA PHE C 502 -14.941 -24.825 -2.751 1.00 0.00 H new ATOM 0 HB2 PHE C 502 -16.765 -26.252 -4.716 1.00 0.00 H new ATOM 0 HB3 PHE C 502 -15.693 -27.072 -3.599 1.00 0.00 H new ATOM 0 HD1 PHE C 502 -18.754 -25.096 -3.915 1.00 0.00 H new ATOM 0 HD2 PHE C 502 -16.160 -27.092 -1.199 1.00 0.00 H new ATOM 0 HE1 PHE C 502 -20.488 -24.985 -2.182 1.00 0.00 H new ATOM 0 HE2 PHE C 502 -17.889 -26.984 0.538 1.00 0.00 H new ATOM 0 HZ PHE C 502 -20.058 -25.928 0.051 1.00 0.00 H new ATOM 810 N PRO C 503 -13.155 -25.940 -4.283 1.00 0.00 N ATOM 811 CA PRO C 503 -12.008 -26.258 -5.133 1.00 0.00 C ATOM 812 C PRO C 503 -12.453 -26.862 -6.461 1.00 0.00 C ATOM 813 O PRO C 503 -13.161 -27.877 -6.493 1.00 0.00 O ATOM 814 CB PRO C 503 -11.232 -27.288 -4.310 1.00 0.00 C ATOM 815 CG PRO C 503 -11.591 -26.985 -2.900 1.00 0.00 C ATOM 816 CD PRO C 503 -13.017 -26.518 -2.930 1.00 0.00 C ATOM 0 HA PRO C 503 -11.420 -25.377 -5.390 1.00 0.00 H new ATOM 0 HB2 PRO C 503 -11.513 -28.306 -4.581 1.00 0.00 H new ATOM 0 HB3 PRO C 503 -10.158 -27.199 -4.474 1.00 0.00 H new ATOM 0 HG2 PRO C 503 -11.482 -27.868 -2.271 1.00 0.00 H new ATOM 0 HG3 PRO C 503 -10.937 -26.217 -2.487 1.00 0.00 H new ATOM 0 HD2 PRO C 503 -13.714 -27.341 -2.771 1.00 0.00 H new ATOM 0 HD3 PRO C 503 -13.215 -25.778 -2.154 1.00 0.00 H new ATOM 824 N THR C 504 -12.055 -26.237 -7.540 1.00 0.00 N ATOM 825 CA THR C 504 -12.435 -26.679 -8.852 1.00 0.00 C ATOM 826 C THR C 504 -11.285 -26.453 -9.846 1.00 0.00 C ATOM 827 O THR C 504 -10.754 -27.453 -10.368 1.00 0.00 O ATOM 828 CB THR C 504 -13.755 -25.981 -9.325 1.00 0.00 C ATOM 829 OG1 THR C 504 -14.152 -26.470 -10.608 1.00 0.00 O ATOM 830 CG2 THR C 504 -13.608 -24.463 -9.379 1.00 0.00 C ATOM 831 OXT THR C 504 -10.875 -25.282 -10.053 1.00 0.00 O ATOM 0 H THR C 504 -11.459 -25.409 -7.531 1.00 0.00 H new ATOM 0 HA THR C 504 -12.637 -27.749 -8.810 1.00 0.00 H new ATOM 0 HB THR C 504 -14.524 -26.222 -8.591 1.00 0.00 H new ATOM 0 HG1 THR C 504 -14.979 -26.024 -10.886 1.00 0.00 H new ATOM 0 HG21 THR C 504 -14.546 -24.018 -9.712 1.00 0.00 H new ATOM 0 HG22 THR C 504 -13.359 -24.086 -8.387 1.00 0.00 H new ATOM 0 HG23 THR C 504 -12.814 -24.199 -10.077 1.00 0.00 H new TER 839 THR C 504