USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=11 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 483 THR OG1 : rot -97:sc= 1.41 USER MOD Set 1.2: C 489 THR OG1 : rot -51:sc= 1.29 USER MOD Set 2.1: C 462 HIS : no HD1:sc= 0.294 K(o=1.1,f=-3.3!) USER MOD Set 2.2: C 473 TYR OH : rot 17:sc= 0.821 USER MOD Set 3.1: C 454 ASN : amide:sc= -0.0266 K(o=-0.027,f=-2.3!) USER MOD Set 3.2: C 455 SER OG : rot 180:sc= 0 USER MOD Single : C 453 SER OG : rot 39:sc= 0.271 USER MOD Single : C 456 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.67) USER MOD Single : C 458 ASN : amide:sc= -1.09 K(o=-1.1,f=-3.7!) USER MOD Single : C 460 MET CE :methyl 165:sc= -3.48! (180deg=-4.21!) USER MOD Single : C 463 GLN : amide:sc= 1.09 K(o=1.1,f=-0.015) USER MOD Single : C 465 GLN : amide:sc= 0.0982 K(o=0.098,f=-0.43) USER MOD Single : C 467 MET CE :methyl -175:sc= -0.55 (180deg=-0.725) USER MOD Single : C 470 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.056) USER MOD Single : C 474 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 478 GLN :FLIP amide:sc= -0.0349 F(o=-1.4!,f=-0.035) USER MOD Single : C 481 GLN : amide:sc= -0.888 K(o=-0.89,f=-4.5!) USER MOD Single : C 485 SER OG : rot 170:sc=-0.00344 USER MOD Single : C 490 THR OG1 : rot 98:sc= 1.23 USER MOD Single : C 492 ASN : amide:sc= -6.97! C(o=-7!,f=-15!) USER MOD Single : C 499 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : C 504 THR OG1 : rot -15:sc= 0.801 USER MOD ----------------------------------------------------------------- ATOM 1 N SER C 453 -11.113 2.552 5.569 1.00 0.00 N ATOM 2 CA SER C 453 -11.407 1.830 6.810 1.00 0.00 C ATOM 3 C SER C 453 -10.643 0.501 6.852 1.00 0.00 C ATOM 4 O SER C 453 -11.152 -0.513 7.351 1.00 0.00 O ATOM 5 CB SER C 453 -12.907 1.582 6.878 1.00 0.00 C ATOM 6 OG SER C 453 -13.614 2.785 6.632 1.00 0.00 O ATOM 0 HA SER C 453 -11.090 2.424 7.667 1.00 0.00 H new ATOM 0 HB2 SER C 453 -13.192 0.828 6.144 1.00 0.00 H new ATOM 0 HB3 SER C 453 -13.174 1.189 7.859 1.00 0.00 H new ATOM 0 HG SER C 453 -13.161 3.292 5.927 1.00 0.00 H new ATOM 14 N ASN C 454 -9.397 0.529 6.377 1.00 0.00 N ATOM 15 CA ASN C 454 -8.572 -0.679 6.258 1.00 0.00 C ATOM 16 C ASN C 454 -8.263 -1.328 7.611 1.00 0.00 C ATOM 17 O ASN C 454 -8.042 -2.533 7.682 1.00 0.00 O ATOM 18 CB ASN C 454 -7.261 -0.378 5.509 1.00 0.00 C ATOM 19 CG ASN C 454 -6.292 0.496 6.299 1.00 0.00 C ATOM 20 OD1 ASN C 454 -6.696 1.352 7.088 1.00 0.00 O ATOM 21 ND2 ASN C 454 -5.008 0.282 6.088 1.00 0.00 N ATOM 0 H ASN C 454 -8.932 1.382 6.065 1.00 0.00 H new ATOM 0 HA ASN C 454 -9.162 -1.394 5.684 1.00 0.00 H new ATOM 0 HB2 ASN C 454 -6.769 -1.319 5.262 1.00 0.00 H new ATOM 0 HB3 ASN C 454 -7.496 0.116 4.566 1.00 0.00 H new ATOM 0 HD21 ASN C 454 -4.310 0.835 6.586 1.00 0.00 H new ATOM 0 HD22 ASN C 454 -4.713 -0.436 5.427 1.00 0.00 H new ATOM 28 N SER C 455 -8.247 -0.542 8.668 1.00 0.00 N ATOM 29 CA SER C 455 -7.938 -1.073 9.986 1.00 0.00 C ATOM 30 C SER C 455 -9.165 -1.714 10.632 1.00 0.00 C ATOM 31 O SER C 455 -9.047 -2.652 11.413 1.00 0.00 O ATOM 32 CB SER C 455 -7.379 0.034 10.882 1.00 0.00 C ATOM 33 OG SER C 455 -6.232 0.635 10.291 1.00 0.00 O ATOM 0 H SER C 455 -8.442 0.459 8.645 1.00 0.00 H new ATOM 0 HA SER C 455 -7.183 -1.850 9.867 1.00 0.00 H new ATOM 0 HB2 SER C 455 -8.144 0.791 11.052 1.00 0.00 H new ATOM 0 HB3 SER C 455 -7.117 -0.379 11.856 1.00 0.00 H new ATOM 0 HG SER C 455 -5.892 1.341 10.880 1.00 0.00 H new ATOM 39 N GLN C 456 -10.338 -1.216 10.290 1.00 0.00 N ATOM 40 CA GLN C 456 -11.570 -1.722 10.868 1.00 0.00 C ATOM 41 C GLN C 456 -12.138 -2.902 10.090 1.00 0.00 C ATOM 42 O GLN C 456 -12.386 -3.962 10.658 1.00 0.00 O ATOM 43 CB GLN C 456 -12.607 -0.607 10.979 1.00 0.00 C ATOM 44 CG GLN C 456 -12.314 0.376 12.097 1.00 0.00 C ATOM 45 CD GLN C 456 -12.407 -0.268 13.466 1.00 0.00 C ATOM 46 OE1 GLN C 456 -11.430 -0.816 13.976 1.00 0.00 O ATOM 47 NE2 GLN C 456 -13.575 -0.202 14.074 1.00 0.00 N ATOM 0 H GLN C 456 -10.465 -0.462 9.615 1.00 0.00 H new ATOM 0 HA GLN C 456 -11.327 -2.085 11.867 1.00 0.00 H new ATOM 0 HB2 GLN C 456 -12.653 -0.067 10.033 1.00 0.00 H new ATOM 0 HB3 GLN C 456 -13.590 -1.049 11.142 1.00 0.00 H new ATOM 0 HG2 GLN C 456 -11.316 0.792 11.960 1.00 0.00 H new ATOM 0 HG3 GLN C 456 -13.016 1.208 12.040 1.00 0.00 H new ATOM 0 HE21 GLN C 456 -14.362 0.261 13.619 1.00 0.00 H new ATOM 0 HE22 GLN C 456 -13.692 -0.614 15.000 1.00 0.00 H new ATOM 56 N LEU C 457 -12.322 -2.724 8.790 1.00 0.00 N ATOM 57 CA LEU C 457 -12.946 -3.754 7.959 1.00 0.00 C ATOM 58 C LEU C 457 -12.136 -5.040 7.940 1.00 0.00 C ATOM 59 O LEU C 457 -12.684 -6.132 8.123 1.00 0.00 O ATOM 60 CB LEU C 457 -13.146 -3.252 6.533 1.00 0.00 C ATOM 61 CG LEU C 457 -13.932 -1.953 6.380 1.00 0.00 C ATOM 62 CD1 LEU C 457 -14.205 -1.680 4.927 1.00 0.00 C ATOM 63 CD2 LEU C 457 -15.231 -2.006 7.160 1.00 0.00 C ATOM 0 H LEU C 457 -12.051 -1.880 8.285 1.00 0.00 H new ATOM 0 HA LEU C 457 -13.917 -3.973 8.404 1.00 0.00 H new ATOM 0 HB2 LEU C 457 -12.165 -3.115 6.077 1.00 0.00 H new ATOM 0 HB3 LEU C 457 -13.656 -4.030 5.964 1.00 0.00 H new ATOM 0 HG LEU C 457 -13.329 -1.141 6.785 1.00 0.00 H new ATOM 0 HD11 LEU C 457 -14.766 -0.751 4.831 1.00 0.00 H new ATOM 0 HD12 LEU C 457 -13.261 -1.591 4.390 1.00 0.00 H new ATOM 0 HD13 LEU C 457 -14.786 -2.500 4.506 1.00 0.00 H new ATOM 0 HD21 LEU C 457 -15.770 -1.067 7.033 1.00 0.00 H new ATOM 0 HD22 LEU C 457 -15.843 -2.829 6.792 1.00 0.00 H new ATOM 0 HD23 LEU C 457 -15.015 -2.160 8.217 1.00 0.00 H new ATOM 75 N ASN C 458 -10.836 -4.911 7.729 1.00 0.00 N ATOM 76 CA ASN C 458 -9.956 -6.072 7.660 1.00 0.00 C ATOM 77 C ASN C 458 -9.961 -6.846 8.969 1.00 0.00 C ATOM 78 O ASN C 458 -10.032 -8.077 8.972 1.00 0.00 O ATOM 79 CB ASN C 458 -8.522 -5.665 7.291 1.00 0.00 C ATOM 80 CG ASN C 458 -8.398 -5.117 5.875 1.00 0.00 C ATOM 81 OD1 ASN C 458 -9.299 -4.448 5.365 1.00 0.00 O ATOM 82 ND2 ASN C 458 -7.284 -5.409 5.230 1.00 0.00 N ATOM 0 H ASN C 458 -10.365 -4.015 7.602 1.00 0.00 H new ATOM 0 HA ASN C 458 -10.341 -6.722 6.874 1.00 0.00 H new ATOM 0 HB2 ASN C 458 -8.172 -4.912 7.997 1.00 0.00 H new ATOM 0 HB3 ASN C 458 -7.867 -6.530 7.397 1.00 0.00 H new ATOM 0 HD21 ASN C 458 -7.146 -5.078 4.275 1.00 0.00 H new ATOM 0 HD22 ASN C 458 -6.561 -5.965 5.686 1.00 0.00 H new ATOM 89 N ALA C 459 -9.905 -6.123 10.080 1.00 0.00 N ATOM 90 CA ALA C 459 -9.913 -6.742 11.398 1.00 0.00 C ATOM 91 C ALA C 459 -11.237 -7.459 11.650 1.00 0.00 C ATOM 92 O ALA C 459 -11.263 -8.548 12.223 1.00 0.00 O ATOM 93 CB ALA C 459 -9.657 -5.702 12.476 1.00 0.00 C ATOM 0 H ALA C 459 -9.853 -5.104 10.094 1.00 0.00 H new ATOM 0 HA ALA C 459 -9.112 -7.481 11.433 1.00 0.00 H new ATOM 0 HB1 ALA C 459 -9.666 -6.182 13.454 1.00 0.00 H new ATOM 0 HB2 ALA C 459 -8.685 -5.237 12.309 1.00 0.00 H new ATOM 0 HB3 ALA C 459 -10.435 -4.940 12.438 1.00 0.00 H new ATOM 99 N MET C 460 -12.336 -6.850 11.210 1.00 0.00 N ATOM 100 CA MET C 460 -13.646 -7.464 11.355 1.00 0.00 C ATOM 101 C MET C 460 -13.717 -8.761 10.565 1.00 0.00 C ATOM 102 O MET C 460 -14.166 -9.792 11.074 1.00 0.00 O ATOM 103 CB MET C 460 -14.756 -6.519 10.898 1.00 0.00 C ATOM 104 CG MET C 460 -14.929 -5.290 11.774 1.00 0.00 C ATOM 105 SD MET C 460 -16.559 -4.539 11.595 1.00 0.00 S ATOM 106 CE MET C 460 -16.526 -4.077 9.871 1.00 0.00 C ATOM 0 H MET C 460 -12.342 -5.938 10.754 1.00 0.00 H new ATOM 0 HA MET C 460 -13.793 -7.680 12.413 1.00 0.00 H new ATOM 0 HB2 MET C 460 -14.547 -6.197 9.878 1.00 0.00 H new ATOM 0 HB3 MET C 460 -15.697 -7.068 10.872 1.00 0.00 H new ATOM 0 HG2 MET C 460 -14.772 -5.566 12.817 1.00 0.00 H new ATOM 0 HG3 MET C 460 -14.164 -4.556 11.520 1.00 0.00 H new ATOM 0 HE1 MET C 460 -17.538 -3.848 9.536 1.00 0.00 H new ATOM 0 HE2 MET C 460 -15.893 -3.199 9.742 1.00 0.00 H new ATOM 0 HE3 MET C 460 -16.127 -4.902 9.281 1.00 0.00 H new ATOM 116 N ALA C 461 -13.254 -8.708 9.318 1.00 0.00 N ATOM 117 CA ALA C 461 -13.227 -9.880 8.458 1.00 0.00 C ATOM 118 C ALA C 461 -12.343 -10.963 9.065 1.00 0.00 C ATOM 119 O ALA C 461 -12.600 -12.156 8.905 1.00 0.00 O ATOM 120 CB ALA C 461 -12.736 -9.501 7.068 1.00 0.00 C ATOM 0 H ALA C 461 -12.892 -7.860 8.883 1.00 0.00 H new ATOM 0 HA ALA C 461 -14.239 -10.274 8.370 1.00 0.00 H new ATOM 0 HB1 ALA C 461 -12.720 -10.387 6.434 1.00 0.00 H new ATOM 0 HB2 ALA C 461 -13.405 -8.757 6.636 1.00 0.00 H new ATOM 0 HB3 ALA C 461 -11.730 -9.087 7.138 1.00 0.00 H new ATOM 126 N HIS C 462 -11.305 -10.531 9.772 1.00 0.00 N ATOM 127 CA HIS C 462 -10.389 -11.435 10.459 1.00 0.00 C ATOM 128 C HIS C 462 -11.129 -12.277 11.493 1.00 0.00 C ATOM 129 O HIS C 462 -10.997 -13.504 11.518 1.00 0.00 O ATOM 130 CB HIS C 462 -9.282 -10.639 11.153 1.00 0.00 C ATOM 131 CG HIS C 462 -8.021 -10.483 10.364 1.00 0.00 C ATOM 132 ND1 HIS C 462 -7.963 -9.906 9.116 1.00 0.00 N ATOM 133 CD2 HIS C 462 -6.761 -10.839 10.664 1.00 0.00 C ATOM 134 CE1 HIS C 462 -6.716 -9.923 8.684 1.00 0.00 C ATOM 135 NE2 HIS C 462 -5.968 -10.484 9.605 1.00 0.00 N ATOM 0 H HIS C 462 -11.074 -9.544 9.885 1.00 0.00 H new ATOM 0 HA HIS C 462 -9.950 -12.098 9.714 1.00 0.00 H new ATOM 0 HB2 HIS C 462 -9.666 -9.648 11.395 1.00 0.00 H new ATOM 0 HB3 HIS C 462 -9.043 -11.127 12.098 1.00 0.00 H new ATOM 0 HD2 HIS C 462 -6.433 -11.318 11.575 1.00 0.00 H new ATOM 0 HE1 HIS C 462 -6.370 -9.541 7.735 1.00 0.00 H new ATOM 0 HE2 HIS C 462 -4.961 -10.632 9.542 1.00 0.00 H new ATOM 144 N GLN C 463 -11.920 -11.607 12.329 1.00 0.00 N ATOM 145 CA GLN C 463 -12.664 -12.266 13.402 1.00 0.00 C ATOM 146 C GLN C 463 -13.739 -13.213 12.874 1.00 0.00 C ATOM 147 O GLN C 463 -14.109 -14.174 13.548 1.00 0.00 O ATOM 148 CB GLN C 463 -13.272 -11.239 14.356 1.00 0.00 C ATOM 149 CG GLN C 463 -12.419 -10.952 15.589 1.00 0.00 C ATOM 150 CD GLN C 463 -11.019 -10.478 15.253 1.00 0.00 C ATOM 151 OE1 GLN C 463 -10.776 -9.284 15.107 1.00 0.00 O ATOM 152 NE2 GLN C 463 -10.090 -11.406 15.137 1.00 0.00 N ATOM 0 H GLN C 463 -12.063 -10.598 12.283 1.00 0.00 H new ATOM 0 HA GLN C 463 -11.946 -12.874 13.953 1.00 0.00 H new ATOM 0 HB2 GLN C 463 -13.434 -10.307 13.814 1.00 0.00 H new ATOM 0 HB3 GLN C 463 -14.251 -11.594 14.679 1.00 0.00 H new ATOM 0 HG2 GLN C 463 -12.915 -10.196 16.197 1.00 0.00 H new ATOM 0 HG3 GLN C 463 -12.353 -11.856 16.195 1.00 0.00 H new ATOM 0 HE21 GLN C 463 -10.332 -12.389 15.266 1.00 0.00 H new ATOM 0 HE22 GLN C 463 -9.129 -11.142 14.919 1.00 0.00 H new ATOM 161 N ILE C 464 -14.251 -12.946 11.693 1.00 0.00 N ATOM 162 CA ILE C 464 -15.216 -13.848 11.098 1.00 0.00 C ATOM 163 C ILE C 464 -14.493 -15.036 10.477 1.00 0.00 C ATOM 164 O ILE C 464 -14.920 -16.171 10.618 1.00 0.00 O ATOM 165 CB ILE C 464 -16.067 -13.158 10.014 1.00 0.00 C ATOM 166 CG1 ILE C 464 -16.794 -11.937 10.582 1.00 0.00 C ATOM 167 CG2 ILE C 464 -17.076 -14.145 9.429 1.00 0.00 C ATOM 168 CD1 ILE C 464 -17.527 -11.144 9.528 1.00 0.00 C ATOM 0 H ILE C 464 -14.021 -12.126 11.132 1.00 0.00 H new ATOM 0 HA ILE C 464 -15.884 -14.178 11.893 1.00 0.00 H new ATOM 0 HB ILE C 464 -15.399 -12.819 9.222 1.00 0.00 H new ATOM 0 HG12 ILE C 464 -17.504 -12.265 11.342 1.00 0.00 H new ATOM 0 HG13 ILE C 464 -16.072 -11.290 11.079 1.00 0.00 H new ATOM 0 HG21 ILE C 464 -17.671 -13.646 8.664 1.00 0.00 H new ATOM 0 HG22 ILE C 464 -16.546 -14.987 8.984 1.00 0.00 H new ATOM 0 HG23 ILE C 464 -17.732 -14.507 10.221 1.00 0.00 H new ATOM 0 HD11 ILE C 464 -18.022 -10.291 9.993 1.00 0.00 H new ATOM 0 HD12 ILE C 464 -16.817 -10.788 8.781 1.00 0.00 H new ATOM 0 HD13 ILE C 464 -18.272 -11.779 9.048 1.00 0.00 H new ATOM 180 N GLN C 465 -13.375 -14.755 9.822 1.00 0.00 N ATOM 181 CA GLN C 465 -12.580 -15.774 9.134 1.00 0.00 C ATOM 182 C GLN C 465 -12.106 -16.871 10.085 1.00 0.00 C ATOM 183 O GLN C 465 -12.110 -18.053 9.737 1.00 0.00 O ATOM 184 CB GLN C 465 -11.374 -15.121 8.474 1.00 0.00 C ATOM 185 CG GLN C 465 -10.564 -16.065 7.593 1.00 0.00 C ATOM 186 CD GLN C 465 -11.382 -16.668 6.459 1.00 0.00 C ATOM 187 OE1 GLN C 465 -11.125 -17.790 6.026 1.00 0.00 O ATOM 188 NE2 GLN C 465 -12.359 -15.930 5.970 1.00 0.00 N ATOM 0 H GLN C 465 -12.989 -13.813 9.750 1.00 0.00 H new ATOM 0 HA GLN C 465 -13.219 -16.238 8.382 1.00 0.00 H new ATOM 0 HB2 GLN C 465 -11.714 -14.279 7.871 1.00 0.00 H new ATOM 0 HB3 GLN C 465 -10.724 -14.716 9.249 1.00 0.00 H new ATOM 0 HG2 GLN C 465 -9.716 -15.524 7.174 1.00 0.00 H new ATOM 0 HG3 GLN C 465 -10.158 -16.868 8.208 1.00 0.00 H new ATOM 0 HE21 GLN C 465 -12.541 -15.004 6.356 1.00 0.00 H new ATOM 0 HE22 GLN C 465 -12.933 -16.285 5.205 1.00 0.00 H new ATOM 197 N GLU C 466 -11.689 -16.474 11.276 1.00 0.00 N ATOM 198 CA GLU C 466 -11.203 -17.420 12.272 1.00 0.00 C ATOM 199 C GLU C 466 -12.311 -18.369 12.736 1.00 0.00 C ATOM 200 O GLU C 466 -12.038 -19.468 13.220 1.00 0.00 O ATOM 201 CB GLU C 466 -10.603 -16.672 13.463 1.00 0.00 C ATOM 202 CG GLU C 466 -11.491 -15.578 13.990 1.00 0.00 C ATOM 203 CD GLU C 466 -10.968 -14.958 15.266 1.00 0.00 C ATOM 204 OE1 GLU C 466 -10.006 -14.166 15.202 1.00 0.00 O ATOM 205 OE2 GLU C 466 -11.518 -15.264 16.347 1.00 0.00 O ATOM 0 H GLU C 466 -11.677 -15.500 11.579 1.00 0.00 H new ATOM 0 HA GLU C 466 -10.426 -18.026 11.806 1.00 0.00 H new ATOM 0 HB2 GLU C 466 -10.400 -17.383 14.264 1.00 0.00 H new ATOM 0 HB3 GLU C 466 -9.646 -16.242 13.168 1.00 0.00 H new ATOM 0 HG2 GLU C 466 -11.593 -14.803 13.231 1.00 0.00 H new ATOM 0 HG3 GLU C 466 -12.488 -15.981 14.170 1.00 0.00 H new ATOM 212 N MET C 467 -13.556 -17.941 12.583 1.00 0.00 N ATOM 213 CA MET C 467 -14.691 -18.753 12.979 1.00 0.00 C ATOM 214 C MET C 467 -15.283 -19.470 11.773 1.00 0.00 C ATOM 215 O MET C 467 -15.705 -20.620 11.866 1.00 0.00 O ATOM 216 CB MET C 467 -15.768 -17.889 13.629 1.00 0.00 C ATOM 217 CG MET C 467 -15.304 -17.111 14.841 1.00 0.00 C ATOM 218 SD MET C 467 -16.660 -16.266 15.682 1.00 0.00 S ATOM 219 CE MET C 467 -17.304 -15.240 14.358 1.00 0.00 C ATOM 0 H MET C 467 -13.803 -17.034 12.187 1.00 0.00 H new ATOM 0 HA MET C 467 -14.339 -19.491 13.699 1.00 0.00 H new ATOM 0 HB2 MET C 467 -16.149 -17.187 12.887 1.00 0.00 H new ATOM 0 HB3 MET C 467 -16.601 -18.528 13.921 1.00 0.00 H new ATOM 0 HG2 MET C 467 -14.815 -17.790 15.539 1.00 0.00 H new ATOM 0 HG3 MET C 467 -14.558 -16.378 14.534 1.00 0.00 H new ATOM 0 HE1 MET C 467 -18.090 -14.593 14.748 1.00 0.00 H new ATOM 0 HE2 MET C 467 -16.500 -14.628 13.948 1.00 0.00 H new ATOM 0 HE3 MET C 467 -17.714 -15.875 13.572 1.00 0.00 H new ATOM 229 N PHE C 468 -15.317 -18.779 10.646 1.00 0.00 N ATOM 230 CA PHE C 468 -15.891 -19.315 9.426 1.00 0.00 C ATOM 231 C PHE C 468 -14.864 -19.360 8.299 1.00 0.00 C ATOM 232 O PHE C 468 -14.771 -18.437 7.494 1.00 0.00 O ATOM 233 CB PHE C 468 -17.113 -18.486 8.993 1.00 0.00 C ATOM 234 CG PHE C 468 -18.320 -18.676 9.867 1.00 0.00 C ATOM 235 CD1 PHE C 468 -18.327 -18.224 11.173 1.00 0.00 C ATOM 236 CD2 PHE C 468 -19.443 -19.317 9.384 1.00 0.00 C ATOM 237 CE1 PHE C 468 -19.427 -18.410 11.981 1.00 0.00 C ATOM 238 CE2 PHE C 468 -20.549 -19.504 10.183 1.00 0.00 C ATOM 239 CZ PHE C 468 -20.542 -19.054 11.485 1.00 0.00 C ATOM 0 H PHE C 468 -14.948 -17.833 10.552 1.00 0.00 H new ATOM 0 HA PHE C 468 -16.210 -20.336 9.634 1.00 0.00 H new ATOM 0 HB2 PHE C 468 -16.841 -17.430 8.991 1.00 0.00 H new ATOM 0 HB3 PHE C 468 -17.374 -18.750 7.968 1.00 0.00 H new ATOM 0 HD1 PHE C 468 -17.458 -17.718 11.566 1.00 0.00 H new ATOM 0 HD2 PHE C 468 -19.454 -19.677 8.366 1.00 0.00 H new ATOM 0 HE1 PHE C 468 -19.417 -18.053 13.000 1.00 0.00 H new ATOM 0 HE2 PHE C 468 -21.422 -20.003 9.789 1.00 0.00 H new ATOM 0 HZ PHE C 468 -21.406 -19.205 12.115 1.00 0.00 H new ATOM 249 N PRO C 469 -14.063 -20.436 8.236 1.00 0.00 N ATOM 250 CA PRO C 469 -13.072 -20.622 7.180 1.00 0.00 C ATOM 251 C PRO C 469 -13.729 -21.085 5.878 1.00 0.00 C ATOM 252 O PRO C 469 -13.078 -21.211 4.841 1.00 0.00 O ATOM 253 CB PRO C 469 -12.174 -21.719 7.738 1.00 0.00 C ATOM 254 CG PRO C 469 -13.079 -22.519 8.598 1.00 0.00 C ATOM 255 CD PRO C 469 -14.036 -21.540 9.210 1.00 0.00 C ATOM 0 HA PRO C 469 -12.540 -19.703 6.935 1.00 0.00 H new ATOM 0 HB2 PRO C 469 -11.741 -22.324 6.942 1.00 0.00 H new ATOM 0 HB3 PRO C 469 -11.344 -21.304 8.309 1.00 0.00 H new ATOM 0 HG2 PRO C 469 -13.610 -23.271 8.014 1.00 0.00 H new ATOM 0 HG3 PRO C 469 -12.518 -23.050 9.367 1.00 0.00 H new ATOM 0 HD2 PRO C 469 -15.025 -21.978 9.349 1.00 0.00 H new ATOM 0 HD3 PRO C 469 -13.696 -21.204 10.189 1.00 0.00 H new ATOM 263 N GLN C 470 -15.030 -21.335 5.960 1.00 0.00 N ATOM 264 CA GLN C 470 -15.831 -21.787 4.823 1.00 0.00 C ATOM 265 C GLN C 470 -15.979 -20.688 3.778 1.00 0.00 C ATOM 266 O GLN C 470 -16.282 -20.958 2.621 1.00 0.00 O ATOM 267 CB GLN C 470 -17.214 -22.235 5.309 1.00 0.00 C ATOM 268 CG GLN C 470 -17.923 -21.200 6.171 1.00 0.00 C ATOM 269 CD GLN C 470 -19.270 -21.674 6.677 1.00 0.00 C ATOM 270 OE1 GLN C 470 -19.356 -22.318 7.717 1.00 0.00 O ATOM 271 NE2 GLN C 470 -20.328 -21.332 5.968 1.00 0.00 N ATOM 0 H GLN C 470 -15.565 -21.230 6.822 1.00 0.00 H new ATOM 0 HA GLN C 470 -15.317 -22.628 4.357 1.00 0.00 H new ATOM 0 HB2 GLN C 470 -17.837 -22.463 4.444 1.00 0.00 H new ATOM 0 HB3 GLN C 470 -17.108 -23.158 5.878 1.00 0.00 H new ATOM 0 HG2 GLN C 470 -17.290 -20.948 7.022 1.00 0.00 H new ATOM 0 HG3 GLN C 470 -18.059 -20.286 5.593 1.00 0.00 H new ATOM 0 HE21 GLN C 470 -20.214 -20.796 5.108 1.00 0.00 H new ATOM 0 HE22 GLN C 470 -21.260 -21.604 6.280 1.00 0.00 H new ATOM 280 N VAL C 471 -15.770 -19.459 4.194 1.00 0.00 N ATOM 281 CA VAL C 471 -15.887 -18.333 3.303 1.00 0.00 C ATOM 282 C VAL C 471 -14.537 -17.628 3.141 1.00 0.00 C ATOM 283 O VAL C 471 -13.949 -17.163 4.119 1.00 0.00 O ATOM 284 CB VAL C 471 -16.977 -17.334 3.790 1.00 0.00 C ATOM 285 CG1 VAL C 471 -16.746 -16.919 5.235 1.00 0.00 C ATOM 286 CG2 VAL C 471 -17.056 -16.117 2.875 1.00 0.00 C ATOM 0 H VAL C 471 -15.516 -19.216 5.152 1.00 0.00 H new ATOM 0 HA VAL C 471 -16.197 -18.711 2.329 1.00 0.00 H new ATOM 0 HB VAL C 471 -17.937 -17.849 3.746 1.00 0.00 H new ATOM 0 HG11 VAL C 471 -17.525 -16.221 5.542 1.00 0.00 H new ATOM 0 HG12 VAL C 471 -16.775 -17.800 5.876 1.00 0.00 H new ATOM 0 HG13 VAL C 471 -15.772 -16.437 5.324 1.00 0.00 H new ATOM 0 HG21 VAL C 471 -17.826 -15.437 3.240 1.00 0.00 H new ATOM 0 HG22 VAL C 471 -16.094 -15.605 2.867 1.00 0.00 H new ATOM 0 HG23 VAL C 471 -17.305 -16.438 1.864 1.00 0.00 H new ATOM 296 N PRO C 472 -14.012 -17.591 1.901 1.00 0.00 N ATOM 297 CA PRO C 472 -12.742 -16.931 1.593 1.00 0.00 C ATOM 298 C PRO C 472 -12.693 -15.503 2.123 1.00 0.00 C ATOM 299 O PRO C 472 -13.663 -14.743 1.998 1.00 0.00 O ATOM 300 CB PRO C 472 -12.691 -16.938 0.067 1.00 0.00 C ATOM 301 CG PRO C 472 -13.540 -18.087 -0.336 1.00 0.00 C ATOM 302 CD PRO C 472 -14.610 -18.215 0.714 1.00 0.00 C ATOM 0 HA PRO C 472 -11.897 -17.439 2.058 1.00 0.00 H new ATOM 0 HB2 PRO C 472 -13.069 -16.003 -0.346 1.00 0.00 H new ATOM 0 HB3 PRO C 472 -11.669 -17.055 -0.294 1.00 0.00 H new ATOM 0 HG2 PRO C 472 -13.979 -17.919 -1.319 1.00 0.00 H new ATOM 0 HG3 PRO C 472 -12.950 -19.001 -0.402 1.00 0.00 H new ATOM 0 HD2 PRO C 472 -15.527 -17.708 0.415 1.00 0.00 H new ATOM 0 HD3 PRO C 472 -14.868 -19.258 0.897 1.00 0.00 H new ATOM 310 N TYR C 473 -11.556 -15.153 2.696 1.00 0.00 N ATOM 311 CA TYR C 473 -11.336 -13.852 3.325 1.00 0.00 C ATOM 312 C TYR C 473 -11.723 -12.675 2.411 1.00 0.00 C ATOM 313 O TYR C 473 -12.284 -11.682 2.883 1.00 0.00 O ATOM 314 CB TYR C 473 -9.875 -13.735 3.762 1.00 0.00 C ATOM 315 CG TYR C 473 -9.542 -12.451 4.477 1.00 0.00 C ATOM 316 CD1 TYR C 473 -9.953 -12.236 5.783 1.00 0.00 C ATOM 317 CD2 TYR C 473 -8.813 -11.455 3.846 1.00 0.00 C ATOM 318 CE1 TYR C 473 -9.647 -11.065 6.438 1.00 0.00 C ATOM 319 CE2 TYR C 473 -8.504 -10.282 4.495 1.00 0.00 C ATOM 320 CZ TYR C 473 -8.923 -10.091 5.789 1.00 0.00 C ATOM 321 OH TYR C 473 -8.617 -8.921 6.438 1.00 0.00 O ATOM 0 H TYR C 473 -10.744 -15.769 2.741 1.00 0.00 H new ATOM 0 HA TYR C 473 -11.989 -13.794 4.196 1.00 0.00 H new ATOM 0 HB2 TYR C 473 -9.635 -14.574 4.416 1.00 0.00 H new ATOM 0 HB3 TYR C 473 -9.237 -13.824 2.883 1.00 0.00 H new ATOM 0 HD1 TYR C 473 -10.522 -12.999 6.294 1.00 0.00 H new ATOM 0 HD2 TYR C 473 -8.482 -11.602 2.828 1.00 0.00 H new ATOM 0 HE1 TYR C 473 -9.973 -10.911 7.456 1.00 0.00 H new ATOM 0 HE2 TYR C 473 -7.935 -9.516 3.990 1.00 0.00 H new ATOM 0 HH TYR C 473 -8.739 -9.041 7.403 1.00 0.00 H new ATOM 331 N HIS C 474 -11.432 -12.790 1.113 1.00 0.00 N ATOM 332 CA HIS C 474 -11.763 -11.715 0.159 1.00 0.00 C ATOM 333 C HIS C 474 -13.254 -11.435 0.151 1.00 0.00 C ATOM 334 O HIS C 474 -13.677 -10.279 0.150 1.00 0.00 O ATOM 335 CB HIS C 474 -11.348 -12.068 -1.274 1.00 0.00 C ATOM 336 CG HIS C 474 -9.891 -12.284 -1.499 1.00 0.00 C ATOM 337 ND1 HIS C 474 -8.922 -11.344 -1.211 1.00 0.00 N ATOM 338 CD2 HIS C 474 -9.239 -13.345 -2.014 1.00 0.00 C ATOM 339 CE1 HIS C 474 -7.739 -11.822 -1.541 1.00 0.00 C ATOM 340 NE2 HIS C 474 -7.903 -13.037 -2.030 1.00 0.00 N ATOM 0 H HIS C 474 -10.975 -13.602 0.698 1.00 0.00 H new ATOM 0 HA HIS C 474 -11.210 -10.837 0.491 1.00 0.00 H new ATOM 0 HB2 HIS C 474 -11.879 -12.972 -1.572 1.00 0.00 H new ATOM 0 HB3 HIS C 474 -11.683 -11.269 -1.935 1.00 0.00 H new ATOM 0 HD2 HIS C 474 -9.686 -14.268 -2.352 1.00 0.00 H new ATOM 0 HE1 HIS C 474 -6.796 -11.307 -1.430 1.00 0.00 H new ATOM 0 HE2 HIS C 474 -7.158 -13.647 -2.365 1.00 0.00 H new ATOM 349 N LEU C 475 -14.046 -12.498 0.150 1.00 0.00 N ATOM 350 CA LEU C 475 -15.488 -12.372 0.068 1.00 0.00 C ATOM 351 C LEU C 475 -16.036 -11.762 1.345 1.00 0.00 C ATOM 352 O LEU C 475 -16.979 -10.973 1.311 1.00 0.00 O ATOM 353 CB LEU C 475 -16.137 -13.736 -0.186 1.00 0.00 C ATOM 354 CG LEU C 475 -15.450 -14.635 -1.225 1.00 0.00 C ATOM 355 CD1 LEU C 475 -16.311 -15.845 -1.541 1.00 0.00 C ATOM 356 CD2 LEU C 475 -15.104 -13.867 -2.498 1.00 0.00 C ATOM 0 H LEU C 475 -13.709 -13.459 0.205 1.00 0.00 H new ATOM 0 HA LEU C 475 -15.728 -11.715 -0.768 1.00 0.00 H new ATOM 0 HB2 LEU C 475 -16.178 -14.276 0.760 1.00 0.00 H new ATOM 0 HB3 LEU C 475 -17.166 -13.571 -0.504 1.00 0.00 H new ATOM 0 HG LEU C 475 -14.513 -14.982 -0.790 1.00 0.00 H new ATOM 0 HD11 LEU C 475 -15.806 -16.468 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU C 475 -16.476 -16.422 -0.631 1.00 0.00 H new ATOM 0 HD13 LEU C 475 -17.270 -15.515 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU C 475 -14.620 -14.538 -3.207 1.00 0.00 H new ATOM 0 HD22 LEU C 475 -16.016 -13.467 -2.941 1.00 0.00 H new ATOM 0 HD23 LEU C 475 -14.429 -13.046 -2.256 1.00 0.00 H new ATOM 368 N VAL C 476 -15.430 -12.129 2.467 1.00 0.00 N ATOM 369 CA VAL C 476 -15.821 -11.592 3.760 1.00 0.00 C ATOM 370 C VAL C 476 -15.590 -10.085 3.782 1.00 0.00 C ATOM 371 O VAL C 476 -16.511 -9.313 4.000 1.00 0.00 O ATOM 372 CB VAL C 476 -15.016 -12.242 4.913 1.00 0.00 C ATOM 373 CG1 VAL C 476 -15.538 -11.783 6.263 1.00 0.00 C ATOM 374 CG2 VAL C 476 -15.057 -13.756 4.815 1.00 0.00 C ATOM 0 H VAL C 476 -14.662 -12.800 2.505 1.00 0.00 H new ATOM 0 HA VAL C 476 -16.878 -11.816 3.907 1.00 0.00 H new ATOM 0 HB VAL C 476 -13.979 -11.921 4.820 1.00 0.00 H new ATOM 0 HG11 VAL C 476 -14.957 -12.253 7.057 1.00 0.00 H new ATOM 0 HG12 VAL C 476 -15.447 -10.700 6.339 1.00 0.00 H new ATOM 0 HG13 VAL C 476 -16.586 -12.067 6.364 1.00 0.00 H new ATOM 0 HG21 VAL C 476 -14.485 -14.189 5.635 1.00 0.00 H new ATOM 0 HG22 VAL C 476 -16.091 -14.097 4.874 1.00 0.00 H new ATOM 0 HG23 VAL C 476 -14.625 -14.071 3.865 1.00 0.00 H new ATOM 384 N LEU C 477 -14.350 -9.684 3.508 1.00 0.00 N ATOM 385 CA LEU C 477 -13.959 -8.273 3.489 1.00 0.00 C ATOM 386 C LEU C 477 -14.817 -7.486 2.501 1.00 0.00 C ATOM 387 O LEU C 477 -15.087 -6.298 2.698 1.00 0.00 O ATOM 388 CB LEU C 477 -12.485 -8.160 3.105 1.00 0.00 C ATOM 389 CG LEU C 477 -11.616 -7.331 4.043 1.00 0.00 C ATOM 390 CD1 LEU C 477 -10.184 -7.280 3.540 1.00 0.00 C ATOM 391 CD2 LEU C 477 -12.174 -5.928 4.208 1.00 0.00 C ATOM 0 H LEU C 477 -13.587 -10.326 3.293 1.00 0.00 H new ATOM 0 HA LEU C 477 -14.112 -7.853 4.483 1.00 0.00 H new ATOM 0 HB2 LEU C 477 -12.067 -9.165 3.046 1.00 0.00 H new ATOM 0 HB3 LEU C 477 -12.422 -7.729 2.106 1.00 0.00 H new ATOM 0 HG LEU C 477 -11.622 -7.813 5.021 1.00 0.00 H new ATOM 0 HD11 LEU C 477 -9.579 -6.684 4.223 1.00 0.00 H new ATOM 0 HD12 LEU C 477 -9.781 -8.291 3.487 1.00 0.00 H new ATOM 0 HD13 LEU C 477 -10.163 -6.829 2.548 1.00 0.00 H new ATOM 0 HD21 LEU C 477 -11.534 -5.359 4.882 1.00 0.00 H new ATOM 0 HD22 LEU C 477 -12.209 -5.434 3.237 1.00 0.00 H new ATOM 0 HD23 LEU C 477 -13.180 -5.983 4.623 1.00 0.00 H new ATOM 403 N GLN C 478 -15.221 -8.155 1.441 1.00 0.00 N ATOM 404 CA GLN C 478 -16.080 -7.571 0.437 1.00 0.00 C ATOM 405 C GLN C 478 -17.425 -7.187 1.049 1.00 0.00 C ATOM 406 O GLN C 478 -17.893 -6.059 0.897 1.00 0.00 O ATOM 407 CB GLN C 478 -16.304 -8.571 -0.691 1.00 0.00 C ATOM 408 CG GLN C 478 -17.152 -8.041 -1.825 1.00 0.00 C ATOM 409 CD GLN C 478 -17.549 -9.118 -2.818 1.00 0.00 C ATOM 410 OE1 GLN C 478 -17.768 -10.330 -2.331 1.00 0.00 O flip ATOM 411 NE2 GLN C 478 -17.681 -8.855 -4.012 1.00 0.00 N flip ATOM 0 H GLN C 478 -14.961 -9.123 1.253 1.00 0.00 H new ATOM 0 HA GLN C 478 -15.600 -6.675 0.043 1.00 0.00 H new ATOM 0 HB2 GLN C 478 -15.336 -8.878 -1.088 1.00 0.00 H new ATOM 0 HB3 GLN C 478 -16.779 -9.463 -0.283 1.00 0.00 H new ATOM 0 HG2 GLN C 478 -18.052 -7.582 -1.415 1.00 0.00 H new ATOM 0 HG3 GLN C 478 -16.603 -7.257 -2.347 1.00 0.00 H new ATOM 0 HE21 GLN C 478 -17.503 -7.909 -4.349 1.00 0.00 H new ATOM 0 HE22 GLN C 478 -17.969 -9.583 -4.666 1.00 0.00 H new ATOM 420 N ASP C 479 -18.026 -8.128 1.766 1.00 0.00 N ATOM 421 CA ASP C 479 -19.333 -7.916 2.375 1.00 0.00 C ATOM 422 C ASP C 479 -19.268 -6.890 3.491 1.00 0.00 C ATOM 423 O ASP C 479 -20.251 -6.232 3.798 1.00 0.00 O ATOM 424 CB ASP C 479 -19.901 -9.218 2.905 1.00 0.00 C ATOM 425 CG ASP C 479 -21.326 -9.059 3.380 1.00 0.00 C ATOM 426 OD1 ASP C 479 -22.250 -9.118 2.535 1.00 0.00 O ATOM 427 OD2 ASP C 479 -21.536 -8.872 4.597 1.00 0.00 O ATOM 0 H ASP C 479 -17.627 -9.050 1.941 1.00 0.00 H new ATOM 0 HA ASP C 479 -19.993 -7.533 1.596 1.00 0.00 H new ATOM 0 HB2 ASP C 479 -19.862 -9.976 2.123 1.00 0.00 H new ATOM 0 HB3 ASP C 479 -19.282 -9.576 3.728 1.00 0.00 H new ATOM 432 N LEU C 480 -18.103 -6.730 4.078 1.00 0.00 N ATOM 433 CA LEU C 480 -17.924 -5.759 5.142 1.00 0.00 C ATOM 434 C LEU C 480 -18.010 -4.340 4.604 1.00 0.00 C ATOM 435 O LEU C 480 -18.154 -3.390 5.360 1.00 0.00 O ATOM 436 CB LEU C 480 -16.628 -5.988 5.926 1.00 0.00 C ATOM 437 CG LEU C 480 -16.750 -6.884 7.170 1.00 0.00 C ATOM 438 CD1 LEU C 480 -17.943 -6.481 8.019 1.00 0.00 C ATOM 439 CD2 LEU C 480 -16.866 -8.323 6.779 1.00 0.00 C ATOM 0 H LEU C 480 -17.264 -7.258 3.839 1.00 0.00 H new ATOM 0 HA LEU C 480 -18.742 -5.900 5.848 1.00 0.00 H new ATOM 0 HB2 LEU C 480 -15.892 -6.429 5.254 1.00 0.00 H new ATOM 0 HB3 LEU C 480 -16.237 -5.019 6.236 1.00 0.00 H new ATOM 0 HG LEU C 480 -15.844 -6.752 7.761 1.00 0.00 H new ATOM 0 HD11 LEU C 480 -18.005 -7.131 8.892 1.00 0.00 H new ATOM 0 HD12 LEU C 480 -17.825 -5.447 8.344 1.00 0.00 H new ATOM 0 HD13 LEU C 480 -18.856 -6.575 7.431 1.00 0.00 H new ATOM 0 HD21 LEU C 480 -16.951 -8.938 7.675 1.00 0.00 H new ATOM 0 HD22 LEU C 480 -17.752 -8.461 6.159 1.00 0.00 H new ATOM 0 HD23 LEU C 480 -15.980 -8.620 6.218 1.00 0.00 H new ATOM 451 N GLN C 481 -17.910 -4.207 3.296 1.00 0.00 N ATOM 452 CA GLN C 481 -18.107 -2.930 2.640 1.00 0.00 C ATOM 453 C GLN C 481 -19.577 -2.755 2.299 1.00 0.00 C ATOM 454 O GLN C 481 -20.059 -1.640 2.086 1.00 0.00 O ATOM 455 CB GLN C 481 -17.266 -2.849 1.373 1.00 0.00 C ATOM 456 CG GLN C 481 -15.823 -2.476 1.623 1.00 0.00 C ATOM 457 CD GLN C 481 -15.654 -1.011 1.994 1.00 0.00 C ATOM 458 OE1 GLN C 481 -16.548 -0.390 2.577 1.00 0.00 O ATOM 459 NE2 GLN C 481 -14.512 -0.450 1.664 1.00 0.00 N ATOM 0 H GLN C 481 -17.691 -4.976 2.662 1.00 0.00 H new ATOM 0 HA GLN C 481 -17.795 -2.133 3.315 1.00 0.00 H new ATOM 0 HB2 GLN C 481 -17.300 -3.812 0.863 1.00 0.00 H new ATOM 0 HB3 GLN C 481 -17.710 -2.116 0.699 1.00 0.00 H new ATOM 0 HG2 GLN C 481 -15.424 -3.098 2.424 1.00 0.00 H new ATOM 0 HG3 GLN C 481 -15.236 -2.691 0.730 1.00 0.00 H new ATOM 0 HE21 GLN C 481 -13.796 -0.995 1.183 1.00 0.00 H new ATOM 0 HE22 GLN C 481 -14.341 0.530 1.889 1.00 0.00 H new ATOM 468 N LEU C 482 -20.281 -3.867 2.257 1.00 0.00 N ATOM 469 CA LEU C 482 -21.676 -3.887 1.897 1.00 0.00 C ATOM 470 C LEU C 482 -22.561 -3.769 3.136 1.00 0.00 C ATOM 471 O LEU C 482 -23.422 -2.890 3.221 1.00 0.00 O ATOM 472 CB LEU C 482 -21.988 -5.191 1.159 1.00 0.00 C ATOM 473 CG LEU C 482 -20.962 -5.627 0.104 1.00 0.00 C ATOM 474 CD1 LEU C 482 -21.436 -6.868 -0.627 1.00 0.00 C ATOM 475 CD2 LEU C 482 -20.672 -4.505 -0.874 1.00 0.00 C ATOM 0 H LEU C 482 -19.895 -4.786 2.474 1.00 0.00 H new ATOM 0 HA LEU C 482 -21.883 -3.035 1.249 1.00 0.00 H new ATOM 0 HB2 LEU C 482 -22.084 -5.989 1.896 1.00 0.00 H new ATOM 0 HB3 LEU C 482 -22.958 -5.088 0.673 1.00 0.00 H new ATOM 0 HG LEU C 482 -20.033 -5.869 0.621 1.00 0.00 H new ATOM 0 HD11 LEU C 482 -20.693 -7.159 -1.370 1.00 0.00 H new ATOM 0 HD12 LEU C 482 -21.573 -7.681 0.087 1.00 0.00 H new ATOM 0 HD13 LEU C 482 -22.383 -6.658 -1.124 1.00 0.00 H new ATOM 0 HD21 LEU C 482 -19.942 -4.843 -1.609 1.00 0.00 H new ATOM 0 HD22 LEU C 482 -21.593 -4.218 -1.382 1.00 0.00 H new ATOM 0 HD23 LEU C 482 -20.273 -3.646 -0.334 1.00 0.00 H new ATOM 487 N THR C 483 -22.338 -4.640 4.103 1.00 0.00 N ATOM 488 CA THR C 483 -23.141 -4.655 5.303 1.00 0.00 C ATOM 489 C THR C 483 -22.463 -3.890 6.417 1.00 0.00 C ATOM 490 O THR C 483 -23.128 -3.231 7.221 1.00 0.00 O ATOM 491 CB THR C 483 -23.403 -6.092 5.775 1.00 0.00 C ATOM 492 OG1 THR C 483 -22.158 -6.752 5.999 1.00 0.00 O ATOM 493 CG2 THR C 483 -24.205 -6.859 4.742 1.00 0.00 C ATOM 0 H THR C 483 -21.603 -5.347 4.077 1.00 0.00 H new ATOM 0 HA THR C 483 -24.090 -4.177 5.060 1.00 0.00 H new ATOM 0 HB THR C 483 -23.976 -6.056 6.702 1.00 0.00 H new ATOM 0 HG1 THR C 483 -21.926 -7.288 5.212 1.00 0.00 H new ATOM 0 HG21 THR C 483 -24.379 -7.875 5.097 1.00 0.00 H new ATOM 0 HG22 THR C 483 -25.162 -6.362 4.582 1.00 0.00 H new ATOM 0 HG23 THR C 483 -23.652 -6.893 3.803 1.00 0.00 H new ATOM 501 N ARG C 484 -21.123 -3.967 6.447 1.00 0.00 N ATOM 502 CA ARG C 484 -20.320 -3.327 7.476 1.00 0.00 C ATOM 503 C ARG C 484 -20.703 -3.846 8.860 1.00 0.00 C ATOM 504 O ARG C 484 -20.481 -3.185 9.873 1.00 0.00 O ATOM 505 CB ARG C 484 -20.469 -1.811 7.404 1.00 0.00 C ATOM 506 CG ARG C 484 -20.171 -1.242 6.032 1.00 0.00 C ATOM 507 CD ARG C 484 -20.222 0.265 6.034 1.00 0.00 C ATOM 508 NE ARG C 484 -21.530 0.772 6.456 1.00 0.00 N ATOM 509 CZ ARG C 484 -21.749 2.015 6.897 1.00 0.00 C ATOM 510 NH1 ARG C 484 -20.749 2.888 6.961 1.00 0.00 N ATOM 511 NH2 ARG C 484 -22.969 2.381 7.266 1.00 0.00 N ATOM 0 H ARG C 484 -20.575 -4.477 5.754 1.00 0.00 H new ATOM 0 HA ARG C 484 -19.273 -3.576 7.300 1.00 0.00 H new ATOM 0 HB2 ARG C 484 -21.485 -1.539 7.689 1.00 0.00 H new ATOM 0 HB3 ARG C 484 -19.800 -1.353 8.132 1.00 0.00 H new ATOM 0 HG2 ARG C 484 -19.185 -1.573 5.706 1.00 0.00 H new ATOM 0 HG3 ARG C 484 -20.891 -1.630 5.312 1.00 0.00 H new ATOM 0 HD2 ARG C 484 -19.451 0.652 6.700 1.00 0.00 H new ATOM 0 HD3 ARG C 484 -19.995 0.636 5.035 1.00 0.00 H new ATOM 0 HE ARG C 484 -22.325 0.135 6.410 1.00 0.00 H new ATOM 0 HH11 ARG C 484 -19.811 2.611 6.673 1.00 0.00 H new ATOM 0 HH12 ARG C 484 -20.920 3.835 7.298 1.00 0.00 H new ATOM 0 HH21 ARG C 484 -23.739 1.714 7.213 1.00 0.00 H new ATOM 0 HH22 ARG C 484 -23.137 3.329 7.603 1.00 0.00 H new ATOM 525 N SER C 485 -21.258 -5.047 8.888 1.00 0.00 N ATOM 526 CA SER C 485 -21.692 -5.663 10.117 1.00 0.00 C ATOM 527 C SER C 485 -21.300 -7.119 10.132 1.00 0.00 C ATOM 528 O SER C 485 -21.879 -7.913 9.402 1.00 0.00 O ATOM 529 CB SER C 485 -23.211 -5.553 10.254 1.00 0.00 C ATOM 530 OG SER C 485 -23.665 -6.178 11.446 1.00 0.00 O ATOM 0 H SER C 485 -21.417 -5.616 8.057 1.00 0.00 H new ATOM 0 HA SER C 485 -21.214 -5.147 10.950 1.00 0.00 H new ATOM 0 HB2 SER C 485 -23.504 -4.503 10.256 1.00 0.00 H new ATOM 0 HB3 SER C 485 -23.691 -6.016 9.392 1.00 0.00 H new ATOM 0 HG SER C 485 -24.608 -5.957 11.592 1.00 0.00 H new ATOM 536 N VAL C 486 -20.324 -7.481 10.963 1.00 0.00 N ATOM 537 CA VAL C 486 -19.895 -8.868 11.053 1.00 0.00 C ATOM 538 C VAL C 486 -21.056 -9.779 11.451 1.00 0.00 C ATOM 539 O VAL C 486 -21.072 -10.961 11.110 1.00 0.00 O ATOM 540 CB VAL C 486 -18.711 -9.065 12.026 1.00 0.00 C ATOM 541 CG1 VAL C 486 -17.554 -8.175 11.649 1.00 0.00 C ATOM 542 CG2 VAL C 486 -19.114 -8.839 13.468 1.00 0.00 C ATOM 0 H VAL C 486 -19.822 -6.838 11.576 1.00 0.00 H new ATOM 0 HA VAL C 486 -19.548 -9.145 10.057 1.00 0.00 H new ATOM 0 HB VAL C 486 -18.393 -10.104 11.939 1.00 0.00 H new ATOM 0 HG11 VAL C 486 -16.732 -8.331 12.348 1.00 0.00 H new ATOM 0 HG12 VAL C 486 -17.223 -8.417 10.639 1.00 0.00 H new ATOM 0 HG13 VAL C 486 -17.870 -7.132 11.687 1.00 0.00 H new ATOM 0 HG21 VAL C 486 -18.250 -8.989 14.115 1.00 0.00 H new ATOM 0 HG22 VAL C 486 -19.485 -7.821 13.587 1.00 0.00 H new ATOM 0 HG23 VAL C 486 -19.898 -9.545 13.741 1.00 0.00 H new ATOM 552 N GLU C 487 -22.029 -9.214 12.161 1.00 0.00 N ATOM 553 CA GLU C 487 -23.216 -9.942 12.551 1.00 0.00 C ATOM 554 C GLU C 487 -23.969 -10.375 11.301 1.00 0.00 C ATOM 555 O GLU C 487 -24.280 -11.555 11.125 1.00 0.00 O ATOM 556 CB GLU C 487 -24.100 -9.057 13.426 1.00 0.00 C ATOM 557 CG GLU C 487 -25.345 -9.746 13.948 1.00 0.00 C ATOM 558 CD GLU C 487 -25.033 -10.953 14.804 1.00 0.00 C ATOM 559 OE1 GLU C 487 -24.546 -10.773 15.935 1.00 0.00 O ATOM 560 OE2 GLU C 487 -25.285 -12.087 14.357 1.00 0.00 O ATOM 0 H GLU C 487 -22.010 -8.244 12.477 1.00 0.00 H new ATOM 0 HA GLU C 487 -22.936 -10.826 13.124 1.00 0.00 H new ATOM 0 HB2 GLU C 487 -23.513 -8.701 14.273 1.00 0.00 H new ATOM 0 HB3 GLU C 487 -24.397 -8.179 12.852 1.00 0.00 H new ATOM 0 HG2 GLU C 487 -25.931 -9.035 14.531 1.00 0.00 H new ATOM 0 HG3 GLU C 487 -25.964 -10.054 13.106 1.00 0.00 H new ATOM 567 N ILE C 488 -24.228 -9.416 10.420 1.00 0.00 N ATOM 568 CA ILE C 488 -24.908 -9.703 9.177 1.00 0.00 C ATOM 569 C ILE C 488 -24.016 -10.525 8.271 1.00 0.00 C ATOM 570 O ILE C 488 -24.451 -11.479 7.703 1.00 0.00 O ATOM 571 CB ILE C 488 -25.325 -8.421 8.425 1.00 0.00 C ATOM 572 CG1 ILE C 488 -26.188 -7.525 9.321 1.00 0.00 C ATOM 573 CG2 ILE C 488 -26.070 -8.780 7.140 1.00 0.00 C ATOM 574 CD1 ILE C 488 -26.565 -6.201 8.686 1.00 0.00 C ATOM 0 H ILE C 488 -23.975 -8.436 10.549 1.00 0.00 H new ATOM 0 HA ILE C 488 -25.810 -10.258 9.435 1.00 0.00 H new ATOM 0 HB ILE C 488 -24.425 -7.866 8.159 1.00 0.00 H new ATOM 0 HG12 ILE C 488 -27.099 -8.062 9.586 1.00 0.00 H new ATOM 0 HG13 ILE C 488 -25.651 -7.331 10.250 1.00 0.00 H new ATOM 0 HG21 ILE C 488 -26.358 -7.867 6.619 1.00 0.00 H new ATOM 0 HG22 ILE C 488 -25.421 -9.375 6.497 1.00 0.00 H new ATOM 0 HG23 ILE C 488 -26.963 -9.355 7.386 1.00 0.00 H new ATOM 0 HD11 ILE C 488 -27.175 -5.624 9.382 1.00 0.00 H new ATOM 0 HD12 ILE C 488 -25.661 -5.642 8.447 1.00 0.00 H new ATOM 0 HD13 ILE C 488 -27.131 -6.384 7.773 1.00 0.00 H new ATOM 586 N THR C 489 -22.758 -10.143 8.176 1.00 0.00 N ATOM 587 CA THR C 489 -21.788 -10.829 7.320 1.00 0.00 C ATOM 588 C THR C 489 -21.654 -12.322 7.662 1.00 0.00 C ATOM 589 O THR C 489 -21.361 -13.123 6.804 1.00 0.00 O ATOM 590 CB THR C 489 -20.404 -10.149 7.405 1.00 0.00 C ATOM 591 OG1 THR C 489 -20.544 -8.754 7.141 1.00 0.00 O ATOM 592 CG2 THR C 489 -19.426 -10.742 6.403 1.00 0.00 C ATOM 0 H THR C 489 -22.371 -9.349 8.687 1.00 0.00 H new ATOM 0 HA THR C 489 -22.167 -10.755 6.301 1.00 0.00 H new ATOM 0 HB THR C 489 -20.012 -10.314 8.409 1.00 0.00 H new ATOM 0 HG1 THR C 489 -21.044 -8.627 6.308 1.00 0.00 H new ATOM 0 HG21 THR C 489 -18.463 -10.238 6.492 1.00 0.00 H new ATOM 0 HG22 THR C 489 -19.299 -11.806 6.604 1.00 0.00 H new ATOM 0 HG23 THR C 489 -19.813 -10.607 5.393 1.00 0.00 H new ATOM 600 N THR C 490 -21.876 -12.684 8.905 1.00 0.00 N ATOM 601 CA THR C 490 -21.799 -14.079 9.285 1.00 0.00 C ATOM 602 C THR C 490 -23.154 -14.746 9.082 1.00 0.00 C ATOM 603 O THR C 490 -23.243 -15.901 8.661 1.00 0.00 O ATOM 604 CB THR C 490 -21.364 -14.232 10.751 1.00 0.00 C ATOM 605 OG1 THR C 490 -20.180 -13.456 10.996 1.00 0.00 O ATOM 606 CG2 THR C 490 -21.079 -15.682 11.056 1.00 0.00 C ATOM 0 H THR C 490 -22.109 -12.042 9.663 1.00 0.00 H new ATOM 0 HA THR C 490 -21.053 -14.561 8.653 1.00 0.00 H new ATOM 0 HB THR C 490 -22.170 -13.877 11.393 1.00 0.00 H new ATOM 0 HG1 THR C 490 -20.428 -12.602 11.408 1.00 0.00 H new ATOM 0 HG21 THR C 490 -20.771 -15.781 12.097 1.00 0.00 H new ATOM 0 HG22 THR C 490 -21.979 -16.273 10.886 1.00 0.00 H new ATOM 0 HG23 THR C 490 -20.281 -16.040 10.406 1.00 0.00 H new ATOM 614 N ASP C 491 -24.202 -13.991 9.343 1.00 0.00 N ATOM 615 CA ASP C 491 -25.561 -14.494 9.214 1.00 0.00 C ATOM 616 C ASP C 491 -25.965 -14.584 7.756 1.00 0.00 C ATOM 617 O ASP C 491 -26.643 -15.512 7.358 1.00 0.00 O ATOM 618 CB ASP C 491 -26.529 -13.594 9.977 1.00 0.00 C ATOM 619 CG ASP C 491 -27.975 -14.014 9.824 1.00 0.00 C ATOM 620 OD1 ASP C 491 -28.335 -15.113 10.285 1.00 0.00 O ATOM 621 OD2 ASP C 491 -28.763 -13.232 9.256 1.00 0.00 O ATOM 0 H ASP C 491 -24.141 -13.020 9.648 1.00 0.00 H new ATOM 0 HA ASP C 491 -25.599 -15.496 9.641 1.00 0.00 H new ATOM 0 HB2 ASP C 491 -26.265 -13.600 11.034 1.00 0.00 H new ATOM 0 HB3 ASP C 491 -26.416 -12.568 9.626 1.00 0.00 H new ATOM 626 N ASN C 492 -25.518 -13.624 6.959 1.00 0.00 N ATOM 627 CA ASN C 492 -25.841 -13.594 5.547 1.00 0.00 C ATOM 628 C ASN C 492 -25.298 -14.845 4.853 1.00 0.00 C ATOM 629 O ASN C 492 -25.924 -15.390 3.945 1.00 0.00 O ATOM 630 CB ASN C 492 -25.378 -12.266 4.855 1.00 0.00 C ATOM 631 CG ASN C 492 -23.891 -12.051 4.739 1.00 0.00 C ATOM 632 OD1 ASN C 492 -23.106 -12.970 4.720 1.00 0.00 O ATOM 633 ND2 ASN C 492 -23.522 -10.797 4.633 1.00 0.00 N ATOM 0 H ASN C 492 -24.928 -12.853 7.272 1.00 0.00 H new ATOM 0 HA ASN C 492 -26.926 -13.605 5.448 1.00 0.00 H new ATOM 0 HB2 ASN C 492 -25.806 -12.236 3.853 1.00 0.00 H new ATOM 0 HB3 ASN C 492 -25.802 -11.428 5.408 1.00 0.00 H new ATOM 0 HD21 ASN C 492 -22.535 -10.563 4.529 1.00 0.00 H new ATOM 0 HD22 ASN C 492 -24.222 -10.056 4.654 1.00 0.00 H new ATOM 640 N ILE C 493 -24.145 -15.311 5.319 1.00 0.00 N ATOM 641 CA ILE C 493 -23.550 -16.540 4.828 1.00 0.00 C ATOM 642 C ILE C 493 -24.491 -17.700 5.116 1.00 0.00 C ATOM 643 O ILE C 493 -24.846 -18.480 4.227 1.00 0.00 O ATOM 644 CB ILE C 493 -22.205 -16.831 5.544 1.00 0.00 C ATOM 645 CG1 ILE C 493 -21.212 -15.707 5.330 1.00 0.00 C ATOM 646 CG2 ILE C 493 -21.613 -18.145 5.074 1.00 0.00 C ATOM 647 CD1 ILE C 493 -19.985 -15.827 6.214 1.00 0.00 C ATOM 0 H ILE C 493 -23.601 -14.846 6.046 1.00 0.00 H new ATOM 0 HA ILE C 493 -23.375 -16.428 3.758 1.00 0.00 H new ATOM 0 HB ILE C 493 -22.414 -16.904 6.611 1.00 0.00 H new ATOM 0 HG12 ILE C 493 -20.901 -15.697 4.285 1.00 0.00 H new ATOM 0 HG13 ILE C 493 -21.703 -14.753 5.525 1.00 0.00 H new ATOM 0 HG21 ILE C 493 -20.671 -18.325 5.591 1.00 0.00 H new ATOM 0 HG22 ILE C 493 -22.308 -18.956 5.293 1.00 0.00 H new ATOM 0 HG23 ILE C 493 -21.434 -18.100 4.000 1.00 0.00 H new ATOM 0 HD11 ILE C 493 -19.311 -14.994 6.016 1.00 0.00 H new ATOM 0 HD12 ILE C 493 -20.288 -15.807 7.261 1.00 0.00 H new ATOM 0 HD13 ILE C 493 -19.474 -16.766 6.002 1.00 0.00 H new ATOM 659 N LEU C 494 -24.902 -17.771 6.367 1.00 0.00 N ATOM 660 CA LEU C 494 -25.773 -18.814 6.864 1.00 0.00 C ATOM 661 C LEU C 494 -27.157 -18.761 6.211 1.00 0.00 C ATOM 662 O LEU C 494 -27.780 -19.796 5.979 1.00 0.00 O ATOM 663 CB LEU C 494 -25.872 -18.685 8.379 1.00 0.00 C ATOM 664 CG LEU C 494 -24.554 -18.906 9.123 1.00 0.00 C ATOM 665 CD1 LEU C 494 -24.676 -18.506 10.581 1.00 0.00 C ATOM 666 CD2 LEU C 494 -24.111 -20.355 8.999 1.00 0.00 C ATOM 0 H LEU C 494 -24.634 -17.091 7.079 1.00 0.00 H new ATOM 0 HA LEU C 494 -25.349 -19.784 6.605 1.00 0.00 H new ATOM 0 HB2 LEU C 494 -26.250 -17.692 8.622 1.00 0.00 H new ATOM 0 HB3 LEU C 494 -26.606 -19.403 8.745 1.00 0.00 H new ATOM 0 HG LEU C 494 -23.796 -18.271 8.665 1.00 0.00 H new ATOM 0 HD11 LEU C 494 -23.724 -18.674 11.085 1.00 0.00 H new ATOM 0 HD12 LEU C 494 -24.941 -17.451 10.648 1.00 0.00 H new ATOM 0 HD13 LEU C 494 -25.451 -19.106 11.059 1.00 0.00 H new ATOM 0 HD21 LEU C 494 -23.172 -20.495 9.534 1.00 0.00 H new ATOM 0 HD22 LEU C 494 -24.873 -21.006 9.427 1.00 0.00 H new ATOM 0 HD23 LEU C 494 -23.970 -20.604 7.947 1.00 0.00 H new ATOM 678 N GLU C 495 -27.614 -17.557 5.898 1.00 0.00 N ATOM 679 CA GLU C 495 -28.904 -17.364 5.237 1.00 0.00 C ATOM 680 C GLU C 495 -28.852 -17.820 3.779 1.00 0.00 C ATOM 681 O GLU C 495 -29.888 -17.970 3.127 1.00 0.00 O ATOM 682 CB GLU C 495 -29.323 -15.895 5.303 1.00 0.00 C ATOM 683 CG GLU C 495 -29.644 -15.402 6.702 1.00 0.00 C ATOM 684 CD GLU C 495 -30.896 -16.029 7.270 1.00 0.00 C ATOM 685 OE1 GLU C 495 -30.832 -17.185 7.735 1.00 0.00 O ATOM 686 OE2 GLU C 495 -31.953 -15.359 7.267 1.00 0.00 O ATOM 0 H GLU C 495 -27.109 -16.692 6.091 1.00 0.00 H new ATOM 0 HA GLU C 495 -29.640 -17.972 5.763 1.00 0.00 H new ATOM 0 HB2 GLU C 495 -28.523 -15.282 4.888 1.00 0.00 H new ATOM 0 HB3 GLU C 495 -30.198 -15.749 4.669 1.00 0.00 H new ATOM 0 HG2 GLU C 495 -28.803 -15.619 7.361 1.00 0.00 H new ATOM 0 HG3 GLU C 495 -29.762 -14.319 6.682 1.00 0.00 H new ATOM 693 N GLY C 496 -27.643 -18.029 3.273 1.00 0.00 N ATOM 694 CA GLY C 496 -27.477 -18.467 1.903 1.00 0.00 C ATOM 695 C GLY C 496 -27.324 -17.307 0.946 1.00 0.00 C ATOM 696 O GLY C 496 -27.507 -17.460 -0.261 1.00 0.00 O ATOM 0 H GLY C 496 -26.773 -17.902 3.790 1.00 0.00 H new ATOM 0 HA2 GLY C 496 -26.600 -19.111 1.833 1.00 0.00 H new ATOM 0 HA3 GLY C 496 -28.338 -19.067 1.609 1.00 0.00 H new ATOM 700 N ARG C 497 -26.993 -16.149 1.489 1.00 0.00 N ATOM 701 CA ARG C 497 -26.801 -14.943 0.693 1.00 0.00 C ATOM 702 C ARG C 497 -25.518 -15.045 -0.107 1.00 0.00 C ATOM 703 O ARG C 497 -25.455 -14.643 -1.272 1.00 0.00 O ATOM 704 CB ARG C 497 -26.720 -13.730 1.620 1.00 0.00 C ATOM 705 CG ARG C 497 -26.547 -12.400 0.913 1.00 0.00 C ATOM 706 CD ARG C 497 -27.774 -12.042 0.104 1.00 0.00 C ATOM 707 NE ARG C 497 -28.969 -11.956 0.942 1.00 0.00 N ATOM 708 CZ ARG C 497 -30.100 -11.347 0.595 1.00 0.00 C ATOM 709 NH1 ARG C 497 -30.214 -10.760 -0.592 1.00 0.00 N ATOM 710 NH2 ARG C 497 -31.121 -11.333 1.438 1.00 0.00 N ATOM 0 H ARG C 497 -26.849 -16.015 2.490 1.00 0.00 H new ATOM 0 HA ARG C 497 -27.642 -14.832 0.009 1.00 0.00 H new ATOM 0 HB2 ARG C 497 -27.627 -13.690 2.223 1.00 0.00 H new ATOM 0 HB3 ARG C 497 -25.886 -13.871 2.308 1.00 0.00 H new ATOM 0 HG2 ARG C 497 -26.353 -11.618 1.647 1.00 0.00 H new ATOM 0 HG3 ARG C 497 -25.677 -12.445 0.257 1.00 0.00 H new ATOM 0 HD2 ARG C 497 -27.613 -11.088 -0.399 1.00 0.00 H new ATOM 0 HD3 ARG C 497 -27.928 -12.790 -0.674 1.00 0.00 H new ATOM 0 HE ARG C 497 -28.933 -12.396 1.862 1.00 0.00 H new ATOM 0 HH11 ARG C 497 -29.431 -10.774 -1.245 1.00 0.00 H new ATOM 0 HH12 ARG C 497 -31.085 -10.295 -0.850 1.00 0.00 H new ATOM 0 HH21 ARG C 497 -31.038 -11.787 2.347 1.00 0.00 H new ATOM 0 HH22 ARG C 497 -31.991 -10.868 1.178 1.00 0.00 H new ATOM 724 N ILE C 498 -24.505 -15.590 0.528 1.00 0.00 N ATOM 725 CA ILE C 498 -23.202 -15.727 -0.076 1.00 0.00 C ATOM 726 C ILE C 498 -22.862 -17.195 -0.234 1.00 0.00 C ATOM 727 O ILE C 498 -22.895 -17.958 0.741 1.00 0.00 O ATOM 728 CB ILE C 498 -22.123 -15.031 0.786 1.00 0.00 C ATOM 729 CG1 ILE C 498 -22.526 -13.577 1.049 1.00 0.00 C ATOM 730 CG2 ILE C 498 -20.761 -15.091 0.096 1.00 0.00 C ATOM 731 CD1 ILE C 498 -21.687 -12.880 2.095 1.00 0.00 C ATOM 0 H ILE C 498 -24.563 -15.951 1.480 1.00 0.00 H new ATOM 0 HA ILE C 498 -23.223 -15.250 -1.056 1.00 0.00 H new ATOM 0 HB ILE C 498 -22.044 -15.555 1.739 1.00 0.00 H new ATOM 0 HG12 ILE C 498 -22.459 -13.019 0.115 1.00 0.00 H new ATOM 0 HG13 ILE C 498 -23.570 -13.552 1.361 1.00 0.00 H new ATOM 0 HG21 ILE C 498 -20.016 -14.596 0.718 1.00 0.00 H new ATOM 0 HG22 ILE C 498 -20.475 -16.132 -0.054 1.00 0.00 H new ATOM 0 HG23 ILE C 498 -20.820 -14.588 -0.869 1.00 0.00 H new ATOM 0 HD11 ILE C 498 -22.038 -11.856 2.220 1.00 0.00 H new ATOM 0 HD12 ILE C 498 -21.772 -13.411 3.043 1.00 0.00 H new ATOM 0 HD13 ILE C 498 -20.644 -12.870 1.777 1.00 0.00 H new ATOM 743 N GLN C 499 -22.564 -17.590 -1.449 1.00 0.00 N ATOM 744 CA GLN C 499 -22.221 -18.962 -1.742 1.00 0.00 C ATOM 745 C GLN C 499 -20.783 -19.226 -1.345 1.00 0.00 C ATOM 746 O GLN C 499 -19.853 -18.647 -1.912 1.00 0.00 O ATOM 747 CB GLN C 499 -22.444 -19.261 -3.222 1.00 0.00 C ATOM 748 CG GLN C 499 -23.872 -18.994 -3.678 1.00 0.00 C ATOM 749 CD GLN C 499 -24.102 -19.318 -5.136 1.00 0.00 C ATOM 750 OE1 GLN C 499 -23.194 -19.221 -5.962 1.00 0.00 O ATOM 751 NE2 GLN C 499 -25.317 -19.706 -5.462 1.00 0.00 N ATOM 0 H GLN C 499 -22.552 -16.972 -2.260 1.00 0.00 H new ATOM 0 HA GLN C 499 -22.867 -19.624 -1.166 1.00 0.00 H new ATOM 0 HB2 GLN C 499 -21.760 -18.655 -3.816 1.00 0.00 H new ATOM 0 HB3 GLN C 499 -22.196 -20.304 -3.417 1.00 0.00 H new ATOM 0 HG2 GLN C 499 -24.557 -19.584 -3.069 1.00 0.00 H new ATOM 0 HG3 GLN C 499 -24.112 -17.945 -3.503 1.00 0.00 H new ATOM 0 HE21 GLN C 499 -26.040 -19.773 -4.746 1.00 0.00 H new ATOM 0 HE22 GLN C 499 -25.535 -19.940 -6.431 1.00 0.00 H new ATOM 760 N VAL C 500 -20.606 -20.079 -0.361 1.00 0.00 N ATOM 761 CA VAL C 500 -19.294 -20.379 0.151 1.00 0.00 C ATOM 762 C VAL C 500 -18.713 -21.642 -0.481 1.00 0.00 C ATOM 763 O VAL C 500 -19.359 -22.696 -0.497 1.00 0.00 O ATOM 764 CB VAL C 500 -19.306 -20.519 1.693 1.00 0.00 C ATOM 765 CG1 VAL C 500 -19.575 -19.172 2.340 1.00 0.00 C ATOM 766 CG2 VAL C 500 -20.345 -21.537 2.148 1.00 0.00 C ATOM 0 H VAL C 500 -21.364 -20.580 0.102 1.00 0.00 H new ATOM 0 HA VAL C 500 -18.655 -19.538 -0.118 1.00 0.00 H new ATOM 0 HB VAL C 500 -18.325 -20.876 2.006 1.00 0.00 H new ATOM 0 HG11 VAL C 500 -19.581 -19.284 3.424 1.00 0.00 H new ATOM 0 HG12 VAL C 500 -18.794 -18.468 2.052 1.00 0.00 H new ATOM 0 HG13 VAL C 500 -20.543 -18.796 2.009 1.00 0.00 H new ATOM 0 HG21 VAL C 500 -20.329 -21.612 3.235 1.00 0.00 H new ATOM 0 HG22 VAL C 500 -21.335 -21.218 1.821 1.00 0.00 H new ATOM 0 HG23 VAL C 500 -20.116 -22.510 1.713 1.00 0.00 H new ATOM 776 N PRO C 501 -17.501 -21.542 -1.052 1.00 0.00 N ATOM 777 CA PRO C 501 -16.805 -22.677 -1.621 1.00 0.00 C ATOM 778 C PRO C 501 -16.082 -23.477 -0.545 1.00 0.00 C ATOM 779 O PRO C 501 -15.274 -22.930 0.214 1.00 0.00 O ATOM 780 CB PRO C 501 -15.782 -22.049 -2.583 1.00 0.00 C ATOM 781 CG PRO C 501 -15.959 -20.568 -2.469 1.00 0.00 C ATOM 782 CD PRO C 501 -16.726 -20.317 -1.207 1.00 0.00 C ATOM 0 HA PRO C 501 -17.489 -23.369 -2.113 1.00 0.00 H new ATOM 0 HB2 PRO C 501 -14.766 -22.342 -2.317 1.00 0.00 H new ATOM 0 HB3 PRO C 501 -15.953 -22.384 -3.606 1.00 0.00 H new ATOM 0 HG2 PRO C 501 -14.993 -20.065 -2.440 1.00 0.00 H new ATOM 0 HG3 PRO C 501 -16.497 -20.176 -3.332 1.00 0.00 H new ATOM 0 HD2 PRO C 501 -16.064 -20.147 -0.358 1.00 0.00 H new ATOM 0 HD3 PRO C 501 -17.368 -19.440 -1.291 1.00 0.00 H new ATOM 790 N PHE C 502 -16.367 -24.754 -0.479 1.00 0.00 N ATOM 791 CA PHE C 502 -15.738 -25.620 0.497 1.00 0.00 C ATOM 792 C PHE C 502 -14.509 -26.272 -0.115 1.00 0.00 C ATOM 793 O PHE C 502 -14.407 -26.355 -1.340 1.00 0.00 O ATOM 794 CB PHE C 502 -16.732 -26.681 0.989 1.00 0.00 C ATOM 795 CG PHE C 502 -17.872 -26.101 1.779 1.00 0.00 C ATOM 796 CD1 PHE C 502 -17.695 -25.739 3.104 1.00 0.00 C ATOM 797 CD2 PHE C 502 -19.114 -25.916 1.200 1.00 0.00 C ATOM 798 CE1 PHE C 502 -18.735 -25.201 3.835 1.00 0.00 C ATOM 799 CE2 PHE C 502 -20.158 -25.378 1.925 1.00 0.00 C ATOM 800 CZ PHE C 502 -19.968 -25.019 3.244 1.00 0.00 C ATOM 0 H PHE C 502 -17.034 -25.222 -1.092 1.00 0.00 H new ATOM 0 HA PHE C 502 -15.427 -25.026 1.357 1.00 0.00 H new ATOM 0 HB2 PHE C 502 -17.131 -27.222 0.131 1.00 0.00 H new ATOM 0 HB3 PHE C 502 -16.203 -27.407 1.606 1.00 0.00 H new ATOM 0 HD1 PHE C 502 -16.731 -25.879 3.571 1.00 0.00 H new ATOM 0 HD2 PHE C 502 -19.269 -26.196 0.168 1.00 0.00 H new ATOM 0 HE1 PHE C 502 -18.584 -24.923 4.868 1.00 0.00 H new ATOM 0 HE2 PHE C 502 -21.123 -25.238 1.460 1.00 0.00 H new ATOM 0 HZ PHE C 502 -20.783 -24.596 3.812 1.00 0.00 H new ATOM 810 N PRO C 503 -13.542 -26.719 0.725 1.00 0.00 N ATOM 811 CA PRO C 503 -12.310 -27.358 0.247 1.00 0.00 C ATOM 812 C PRO C 503 -12.583 -28.396 -0.840 1.00 0.00 C ATOM 813 O PRO C 503 -13.344 -29.350 -0.635 1.00 0.00 O ATOM 814 CB PRO C 503 -11.762 -28.029 1.504 1.00 0.00 C ATOM 815 CG PRO C 503 -12.229 -27.161 2.619 1.00 0.00 C ATOM 816 CD PRO C 503 -13.573 -26.625 2.202 1.00 0.00 C ATOM 0 HA PRO C 503 -11.623 -26.645 -0.209 1.00 0.00 H new ATOM 0 HB2 PRO C 503 -12.139 -29.047 1.608 1.00 0.00 H new ATOM 0 HB3 PRO C 503 -10.674 -28.093 1.479 1.00 0.00 H new ATOM 0 HG2 PRO C 503 -12.307 -27.728 3.547 1.00 0.00 H new ATOM 0 HG3 PRO C 503 -11.525 -26.348 2.800 1.00 0.00 H new ATOM 0 HD2 PRO C 503 -14.388 -27.213 2.624 1.00 0.00 H new ATOM 0 HD3 PRO C 503 -13.716 -25.597 2.535 1.00 0.00 H new ATOM 824 N THR C 504 -11.975 -28.193 -1.994 1.00 0.00 N ATOM 825 CA THR C 504 -12.154 -29.061 -3.143 1.00 0.00 C ATOM 826 C THR C 504 -10.995 -28.858 -4.127 1.00 0.00 C ATOM 827 O THR C 504 -10.992 -27.836 -4.841 1.00 0.00 O ATOM 828 CB THR C 504 -13.508 -28.780 -3.866 1.00 0.00 C ATOM 829 OG1 THR C 504 -14.608 -29.018 -2.968 1.00 0.00 O ATOM 830 CG2 THR C 504 -13.666 -29.665 -5.098 1.00 0.00 C ATOM 831 OXT THR C 504 -10.081 -29.710 -4.158 1.00 0.00 O ATOM 0 H THR C 504 -11.338 -27.414 -2.162 1.00 0.00 H new ATOM 0 HA THR C 504 -12.167 -30.092 -2.789 1.00 0.00 H new ATOM 0 HB THR C 504 -13.508 -27.736 -4.181 1.00 0.00 H new ATOM 0 HG1 THR C 504 -14.291 -29.520 -2.188 1.00 0.00 H new ATOM 0 HG21 THR C 504 -14.618 -29.448 -5.582 1.00 0.00 H new ATOM 0 HG22 THR C 504 -12.851 -29.468 -5.795 1.00 0.00 H new ATOM 0 HG23 THR C 504 -13.642 -30.713 -4.799 1.00 0.00 H new TER 839 THR C 504