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 -107:sc= 1.27 USER MOD Set 1.2: C 489 THR OG1 : rot -57:sc= 1.24 USER MOD Set 2.1: C 462 HIS : no HD1:sc= -0.15 X(o=-0.24,f=0.077) USER MOD Set 2.2: C 463 GLN : amide:sc= -0.089 X(o=-0.24,f=-0.11) USER MOD Set 3.1: C 458 ASN : amide:sc= 1.99 K(o=3.2,f=2.2) USER MOD Set 3.2: C 473 TYR OH : rot -146:sc= 1.21 USER MOD Single : C 453 SER OG : rot 180:sc= 0 USER MOD Single : C 454 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : C 455 SER OG : rot 180:sc= 0.0152 USER MOD Single : C 456 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : C 460 MET CE :methyl 171:sc= -2.94 (180deg=-3.44!) USER MOD Single : C 465 GLN : amide:sc= -0.0792 K(o=-0.079,f=-1.6) USER MOD Single : C 467 MET CE :methyl -176:sc= -1.2 (180deg=-1.21) USER MOD Single : C 470 GLN : amide:sc= -0.96 K(o=-0.96,f=-2.3!) USER MOD Single : C 474 HIS : no HD1:sc= 0 X(o=0,f=-0.0086) USER MOD Single : C 478 GLN :FLIP amide:sc= -0.0721 F(o=-1.5!,f=-0.072) USER MOD Single : C 481 GLN : amide:sc= -0.512 K(o=-0.51,f=-3.5!) USER MOD Single : C 485 SER OG : rot 170:sc= -0.0167 USER MOD Single : C 490 THR OG1 : rot 92:sc= 1.29 USER MOD Single : C 492 ASN : amide:sc= -0.854 K(o=-0.85,f=-2.9) USER MOD Single : C 499 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : C 504 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER C 453 -11.978 3.020 8.089 1.00 0.00 N ATOM 2 CA SER C 453 -12.968 1.935 8.128 1.00 0.00 C ATOM 3 C SER C 453 -12.418 0.670 7.457 1.00 0.00 C ATOM 4 O SER C 453 -12.667 -0.442 7.920 1.00 0.00 O ATOM 5 CB SER C 453 -14.267 2.383 7.436 1.00 0.00 C ATOM 6 OG SER C 453 -15.317 1.444 7.628 1.00 0.00 O ATOM 0 HA SER C 453 -13.183 1.701 9.171 1.00 0.00 H new ATOM 0 HB2 SER C 453 -14.571 3.354 7.827 1.00 0.00 H new ATOM 0 HB3 SER C 453 -14.085 2.512 6.369 1.00 0.00 H new ATOM 0 HG SER C 453 -16.127 1.762 7.176 1.00 0.00 H new ATOM 14 N ASN C 454 -11.641 0.852 6.384 1.00 0.00 N ATOM 15 CA ASN C 454 -11.094 -0.267 5.609 1.00 0.00 C ATOM 16 C ASN C 454 -10.245 -1.198 6.473 1.00 0.00 C ATOM 17 O ASN C 454 -10.389 -2.422 6.409 1.00 0.00 O ATOM 18 CB ASN C 454 -10.263 0.252 4.429 1.00 0.00 C ATOM 19 CG ASN C 454 -9.762 -0.867 3.530 1.00 0.00 C ATOM 20 OD1 ASN C 454 -10.410 -1.901 3.388 1.00 0.00 O ATOM 21 ND2 ASN C 454 -8.612 -0.666 2.919 1.00 0.00 N ATOM 0 H ASN C 454 -11.375 1.771 6.030 1.00 0.00 H new ATOM 0 HA ASN C 454 -11.940 -0.841 5.230 1.00 0.00 H new ATOM 0 HB2 ASN C 454 -10.866 0.943 3.841 1.00 0.00 H new ATOM 0 HB3 ASN C 454 -9.412 0.816 4.809 1.00 0.00 H new ATOM 0 HD21 ASN C 454 -8.230 -1.383 2.302 1.00 0.00 H new ATOM 0 HD22 ASN C 454 -8.104 0.207 3.063 1.00 0.00 H new ATOM 28 N SER C 455 -9.377 -0.626 7.287 1.00 0.00 N ATOM 29 CA SER C 455 -8.520 -1.417 8.152 1.00 0.00 C ATOM 30 C SER C 455 -9.350 -2.217 9.164 1.00 0.00 C ATOM 31 O SER C 455 -9.008 -3.353 9.506 1.00 0.00 O ATOM 32 CB SER C 455 -7.499 -0.519 8.853 1.00 0.00 C ATOM 33 OG SER C 455 -8.110 0.666 9.334 1.00 0.00 O ATOM 0 H SER C 455 -9.247 0.382 7.368 1.00 0.00 H new ATOM 0 HA SER C 455 -7.975 -2.134 7.538 1.00 0.00 H new ATOM 0 HB2 SER C 455 -7.043 -1.060 9.682 1.00 0.00 H new ATOM 0 HB3 SER C 455 -6.698 -0.264 8.160 1.00 0.00 H new ATOM 0 HG SER C 455 -7.438 1.223 9.780 1.00 0.00 H new ATOM 39 N GLN C 456 -10.450 -1.629 9.621 1.00 0.00 N ATOM 40 CA GLN C 456 -11.335 -2.303 10.550 1.00 0.00 C ATOM 41 C GLN C 456 -12.061 -3.446 9.851 1.00 0.00 C ATOM 42 O GLN C 456 -12.233 -4.520 10.421 1.00 0.00 O ATOM 43 CB GLN C 456 -12.341 -1.321 11.158 1.00 0.00 C ATOM 44 CG GLN C 456 -13.309 -1.965 12.139 1.00 0.00 C ATOM 45 CD GLN C 456 -14.241 -0.965 12.788 1.00 0.00 C ATOM 46 OE1 GLN C 456 -14.577 0.068 12.201 1.00 0.00 O ATOM 47 NE2 GLN C 456 -14.667 -1.264 13.997 1.00 0.00 N ATOM 0 H GLN C 456 -10.746 -0.688 9.361 1.00 0.00 H new ATOM 0 HA GLN C 456 -10.732 -2.714 11.360 1.00 0.00 H new ATOM 0 HB2 GLN C 456 -11.797 -0.526 11.668 1.00 0.00 H new ATOM 0 HB3 GLN C 456 -12.910 -0.853 10.354 1.00 0.00 H new ATOM 0 HG2 GLN C 456 -13.899 -2.719 11.618 1.00 0.00 H new ATOM 0 HG3 GLN C 456 -12.743 -2.483 12.914 1.00 0.00 H new ATOM 0 HE21 GLN C 456 -14.364 -2.129 14.445 1.00 0.00 H new ATOM 0 HE22 GLN C 456 -15.300 -0.631 14.486 1.00 0.00 H new ATOM 56 N LEU C 457 -12.465 -3.211 8.601 1.00 0.00 N ATOM 57 CA LEU C 457 -13.149 -4.231 7.802 1.00 0.00 C ATOM 58 C LEU C 457 -12.292 -5.481 7.705 1.00 0.00 C ATOM 59 O LEU C 457 -12.784 -6.601 7.847 1.00 0.00 O ATOM 60 CB LEU C 457 -13.437 -3.714 6.391 1.00 0.00 C ATOM 61 CG LEU C 457 -14.219 -2.407 6.293 1.00 0.00 C ATOM 62 CD1 LEU C 457 -14.443 -2.046 4.854 1.00 0.00 C ATOM 63 CD2 LEU C 457 -15.541 -2.509 7.014 1.00 0.00 C ATOM 0 H LEU C 457 -12.330 -2.322 8.119 1.00 0.00 H new ATOM 0 HA LEU C 457 -14.092 -4.467 8.295 1.00 0.00 H new ATOM 0 HB2 LEU C 457 -12.486 -3.583 5.875 1.00 0.00 H new ATOM 0 HB3 LEU C 457 -13.989 -4.484 5.851 1.00 0.00 H new ATOM 0 HG LEU C 457 -13.631 -1.624 6.771 1.00 0.00 H new ATOM 0 HD11 LEU C 457 -15.002 -1.112 4.796 1.00 0.00 H new ATOM 0 HD12 LEU C 457 -13.481 -1.925 4.355 1.00 0.00 H new ATOM 0 HD13 LEU C 457 -15.009 -2.838 4.364 1.00 0.00 H new ATOM 0 HD21 LEU C 457 -16.076 -1.564 6.928 1.00 0.00 H new ATOM 0 HD22 LEU C 457 -16.137 -3.306 6.569 1.00 0.00 H new ATOM 0 HD23 LEU C 457 -15.365 -2.731 8.066 1.00 0.00 H new ATOM 75 N ASN C 458 -11.003 -5.274 7.479 1.00 0.00 N ATOM 76 CA ASN C 458 -10.048 -6.370 7.362 1.00 0.00 C ATOM 77 C ASN C 458 -9.935 -7.152 8.662 1.00 0.00 C ATOM 78 O ASN C 458 -9.840 -8.379 8.654 1.00 0.00 O ATOM 79 CB ASN C 458 -8.677 -5.850 6.920 1.00 0.00 C ATOM 80 CG ASN C 458 -8.609 -5.586 5.424 1.00 0.00 C ATOM 81 OD1 ASN C 458 -8.258 -6.472 4.648 1.00 0.00 O ATOM 82 ND2 ASN C 458 -8.945 -4.380 5.008 1.00 0.00 N ATOM 0 H ASN C 458 -10.590 -4.348 7.372 1.00 0.00 H new ATOM 0 HA ASN C 458 -10.420 -7.052 6.598 1.00 0.00 H new ATOM 0 HB2 ASN C 458 -8.450 -4.930 7.459 1.00 0.00 H new ATOM 0 HB3 ASN C 458 -7.911 -6.576 7.193 1.00 0.00 H new ATOM 0 HD21 ASN C 458 -8.918 -4.158 4.013 1.00 0.00 H new ATOM 0 HD22 ASN C 458 -9.231 -3.670 5.682 1.00 0.00 H new ATOM 89 N ALA C 459 -9.962 -6.442 9.778 1.00 0.00 N ATOM 90 CA ALA C 459 -9.898 -7.082 11.084 1.00 0.00 C ATOM 91 C ALA C 459 -11.179 -7.861 11.357 1.00 0.00 C ATOM 92 O ALA C 459 -11.142 -8.973 11.895 1.00 0.00 O ATOM 93 CB ALA C 459 -9.659 -6.045 12.172 1.00 0.00 C ATOM 0 H ALA C 459 -10.028 -5.425 9.807 1.00 0.00 H new ATOM 0 HA ALA C 459 -9.063 -7.782 11.088 1.00 0.00 H new ATOM 0 HB1 ALA C 459 -9.614 -6.539 13.142 1.00 0.00 H new ATOM 0 HB2 ALA C 459 -8.717 -5.530 11.983 1.00 0.00 H new ATOM 0 HB3 ALA C 459 -10.475 -5.322 12.171 1.00 0.00 H new ATOM 99 N MET C 460 -12.307 -7.277 10.966 1.00 0.00 N ATOM 100 CA MET C 460 -13.599 -7.912 11.148 1.00 0.00 C ATOM 101 C MET C 460 -13.702 -9.185 10.317 1.00 0.00 C ATOM 102 O MET C 460 -14.103 -10.237 10.826 1.00 0.00 O ATOM 103 CB MET C 460 -14.729 -6.954 10.781 1.00 0.00 C ATOM 104 CG MET C 460 -14.809 -5.721 11.669 1.00 0.00 C ATOM 105 SD MET C 460 -16.431 -4.936 11.629 1.00 0.00 S ATOM 106 CE MET C 460 -16.496 -4.397 9.932 1.00 0.00 C ATOM 0 H MET C 460 -12.348 -6.361 10.520 1.00 0.00 H new ATOM 0 HA MET C 460 -13.694 -8.178 12.201 1.00 0.00 H new ATOM 0 HB2 MET C 460 -14.600 -6.636 9.746 1.00 0.00 H new ATOM 0 HB3 MET C 460 -15.677 -7.489 10.834 1.00 0.00 H new ATOM 0 HG2 MET C 460 -14.571 -6.002 12.695 1.00 0.00 H new ATOM 0 HG3 MET C 460 -14.054 -5.001 11.353 1.00 0.00 H new ATOM 0 HE1 MET C 460 -17.498 -4.035 9.703 1.00 0.00 H new ATOM 0 HE2 MET C 460 -15.776 -3.593 9.778 1.00 0.00 H new ATOM 0 HE3 MET C 460 -16.253 -5.232 9.275 1.00 0.00 H new ATOM 116 N ALA C 461 -13.334 -9.083 9.043 1.00 0.00 N ATOM 117 CA ALA C 461 -13.349 -10.226 8.139 1.00 0.00 C ATOM 118 C ALA C 461 -12.457 -11.335 8.672 1.00 0.00 C ATOM 119 O ALA C 461 -12.830 -12.506 8.660 1.00 0.00 O ATOM 120 CB ALA C 461 -12.898 -9.807 6.752 1.00 0.00 C ATOM 0 H ALA C 461 -13.020 -8.213 8.612 1.00 0.00 H new ATOM 0 HA ALA C 461 -14.370 -10.603 8.074 1.00 0.00 H new ATOM 0 HB1 ALA C 461 -12.914 -10.671 6.088 1.00 0.00 H new ATOM 0 HB2 ALA C 461 -13.570 -9.040 6.367 1.00 0.00 H new ATOM 0 HB3 ALA C 461 -11.885 -9.408 6.804 1.00 0.00 H new ATOM 126 N HIS C 462 -11.281 -10.946 9.156 1.00 0.00 N ATOM 127 CA HIS C 462 -10.332 -11.885 9.736 1.00 0.00 C ATOM 128 C HIS C 462 -10.969 -12.645 10.893 1.00 0.00 C ATOM 129 O HIS C 462 -10.827 -13.853 10.999 1.00 0.00 O ATOM 130 CB HIS C 462 -9.069 -11.140 10.205 1.00 0.00 C ATOM 131 CG HIS C 462 -8.076 -11.988 10.952 1.00 0.00 C ATOM 132 ND1 HIS C 462 -7.196 -12.847 10.337 1.00 0.00 N ATOM 133 CD2 HIS C 462 -7.834 -12.097 12.277 1.00 0.00 C ATOM 134 CE1 HIS C 462 -6.459 -13.449 11.248 1.00 0.00 C ATOM 135 NE2 HIS C 462 -6.827 -13.011 12.432 1.00 0.00 N ATOM 0 H HIS C 462 -10.962 -9.977 9.157 1.00 0.00 H new ATOM 0 HA HIS C 462 -10.046 -12.608 8.972 1.00 0.00 H new ATOM 0 HB2 HIS C 462 -8.575 -10.709 9.335 1.00 0.00 H new ATOM 0 HB3 HIS C 462 -9.370 -10.310 10.844 1.00 0.00 H new ATOM 0 HD2 HIS C 462 -8.341 -11.562 13.067 1.00 0.00 H new ATOM 0 HE1 HIS C 462 -5.685 -14.177 11.055 1.00 0.00 H new ATOM 0 HE2 HIS C 462 -6.426 -13.305 13.323 1.00 0.00 H new ATOM 144 N GLN C 463 -11.690 -11.923 11.738 1.00 0.00 N ATOM 145 CA GLN C 463 -12.344 -12.514 12.899 1.00 0.00 C ATOM 146 C GLN C 463 -13.456 -13.474 12.481 1.00 0.00 C ATOM 147 O GLN C 463 -13.643 -14.521 13.099 1.00 0.00 O ATOM 148 CB GLN C 463 -12.895 -11.420 13.810 1.00 0.00 C ATOM 149 CG GLN C 463 -12.255 -11.380 15.188 1.00 0.00 C ATOM 150 CD GLN C 463 -10.744 -11.196 15.148 1.00 0.00 C ATOM 151 OE1 GLN C 463 -10.031 -11.696 16.015 1.00 0.00 O ATOM 152 NE2 GLN C 463 -10.251 -10.459 14.164 1.00 0.00 N ATOM 0 H GLN C 463 -11.838 -10.919 11.641 1.00 0.00 H new ATOM 0 HA GLN C 463 -11.599 -13.088 13.450 1.00 0.00 H new ATOM 0 HB2 GLN C 463 -12.752 -10.453 13.327 1.00 0.00 H new ATOM 0 HB3 GLN C 463 -13.969 -11.564 13.924 1.00 0.00 H new ATOM 0 HG2 GLN C 463 -12.698 -10.566 15.762 1.00 0.00 H new ATOM 0 HG3 GLN C 463 -12.487 -12.305 15.715 1.00 0.00 H new ATOM 0 HE21 GLN C 463 -10.876 -10.061 13.463 1.00 0.00 H new ATOM 0 HE22 GLN C 463 -9.247 -10.290 14.107 1.00 0.00 H new ATOM 161 N ILE C 464 -14.192 -13.120 11.436 1.00 0.00 N ATOM 162 CA ILE C 464 -15.237 -13.993 10.927 1.00 0.00 C ATOM 163 C ILE C 464 -14.624 -15.260 10.337 1.00 0.00 C ATOM 164 O ILE C 464 -15.101 -16.362 10.586 1.00 0.00 O ATOM 165 CB ILE C 464 -16.107 -13.300 9.851 1.00 0.00 C ATOM 166 CG1 ILE C 464 -16.837 -12.087 10.439 1.00 0.00 C ATOM 167 CG2 ILE C 464 -17.112 -14.287 9.258 1.00 0.00 C ATOM 168 CD1 ILE C 464 -17.634 -11.320 9.407 1.00 0.00 C ATOM 0 H ILE C 464 -14.085 -12.242 10.929 1.00 0.00 H new ATOM 0 HA ILE C 464 -15.880 -14.244 11.770 1.00 0.00 H new ATOM 0 HB ILE C 464 -15.449 -12.952 9.055 1.00 0.00 H new ATOM 0 HG12 ILE C 464 -17.506 -12.422 11.232 1.00 0.00 H new ATOM 0 HG13 ILE C 464 -16.108 -11.419 10.898 1.00 0.00 H new ATOM 0 HG21 ILE C 464 -17.715 -13.783 8.503 1.00 0.00 H new ATOM 0 HG22 ILE C 464 -16.578 -15.119 8.799 1.00 0.00 H new ATOM 0 HG23 ILE C 464 -17.761 -14.665 10.048 1.00 0.00 H new ATOM 0 HD11 ILE C 464 -18.128 -10.473 9.884 1.00 0.00 H new ATOM 0 HD12 ILE C 464 -16.965 -10.957 8.627 1.00 0.00 H new ATOM 0 HD13 ILE C 464 -18.384 -11.976 8.966 1.00 0.00 H new ATOM 180 N GLN C 465 -13.542 -15.089 9.578 1.00 0.00 N ATOM 181 CA GLN C 465 -12.844 -16.212 8.947 1.00 0.00 C ATOM 182 C GLN C 465 -12.277 -17.161 10.004 1.00 0.00 C ATOM 183 O GLN C 465 -12.073 -18.346 9.750 1.00 0.00 O ATOM 184 CB GLN C 465 -11.717 -15.702 8.059 1.00 0.00 C ATOM 185 CG GLN C 465 -11.139 -16.758 7.130 1.00 0.00 C ATOM 186 CD GLN C 465 -9.926 -16.263 6.379 1.00 0.00 C ATOM 187 OE1 GLN C 465 -9.792 -15.074 6.109 1.00 0.00 O ATOM 188 NE2 GLN C 465 -9.032 -17.166 6.042 1.00 0.00 N ATOM 0 H GLN C 465 -13.127 -14.178 9.384 1.00 0.00 H new ATOM 0 HA GLN C 465 -13.563 -16.757 8.336 1.00 0.00 H new ATOM 0 HB2 GLN C 465 -12.087 -14.869 7.461 1.00 0.00 H new ATOM 0 HB3 GLN C 465 -10.919 -15.311 8.690 1.00 0.00 H new ATOM 0 HG2 GLN C 465 -10.868 -17.640 7.711 1.00 0.00 H new ATOM 0 HG3 GLN C 465 -11.903 -17.068 6.417 1.00 0.00 H new ATOM 0 HE21 GLN C 465 -9.180 -18.146 6.285 1.00 0.00 H new ATOM 0 HE22 GLN C 465 -8.190 -16.887 5.538 1.00 0.00 H new ATOM 197 N GLU C 466 -12.009 -16.622 11.186 1.00 0.00 N ATOM 198 CA GLU C 466 -11.530 -17.412 12.306 1.00 0.00 C ATOM 199 C GLU C 466 -12.585 -18.434 12.714 1.00 0.00 C ATOM 200 O GLU C 466 -12.266 -19.523 13.191 1.00 0.00 O ATOM 201 CB GLU C 466 -11.201 -16.492 13.484 1.00 0.00 C ATOM 202 CG GLU C 466 -9.990 -15.607 13.255 1.00 0.00 C ATOM 203 CD GLU C 466 -8.691 -16.377 13.284 1.00 0.00 C ATOM 204 OE1 GLU C 466 -8.318 -16.965 12.255 1.00 0.00 O ATOM 205 OE2 GLU C 466 -8.036 -16.397 14.346 1.00 0.00 O ATOM 0 H GLU C 466 -12.118 -15.629 11.392 1.00 0.00 H new ATOM 0 HA GLU C 466 -10.626 -17.944 12.008 1.00 0.00 H new ATOM 0 HB2 GLU C 466 -12.065 -15.861 13.692 1.00 0.00 H new ATOM 0 HB3 GLU C 466 -11.030 -17.102 14.371 1.00 0.00 H new ATOM 0 HG2 GLU C 466 -10.089 -15.105 12.292 1.00 0.00 H new ATOM 0 HG3 GLU C 466 -9.964 -14.830 14.018 1.00 0.00 H new ATOM 212 N MET C 467 -13.842 -18.074 12.502 1.00 0.00 N ATOM 213 CA MET C 467 -14.956 -18.938 12.830 1.00 0.00 C ATOM 214 C MET C 467 -15.416 -19.706 11.594 1.00 0.00 C ATOM 215 O MET C 467 -15.778 -20.878 11.676 1.00 0.00 O ATOM 216 CB MET C 467 -16.118 -18.107 13.379 1.00 0.00 C ATOM 217 CG MET C 467 -15.764 -17.271 14.595 1.00 0.00 C ATOM 218 SD MET C 467 -17.171 -16.339 15.240 1.00 0.00 S ATOM 219 CE MET C 467 -17.565 -15.285 13.843 1.00 0.00 C ATOM 0 H MET C 467 -14.113 -17.177 12.099 1.00 0.00 H new ATOM 0 HA MET C 467 -14.630 -19.650 13.588 1.00 0.00 H new ATOM 0 HB2 MET C 467 -16.482 -17.447 12.592 1.00 0.00 H new ATOM 0 HB3 MET C 467 -16.938 -18.776 13.638 1.00 0.00 H new ATOM 0 HG2 MET C 467 -15.377 -17.923 15.378 1.00 0.00 H new ATOM 0 HG3 MET C 467 -14.965 -16.578 14.333 1.00 0.00 H new ATOM 0 HE1 MET C 467 -18.369 -14.602 14.118 1.00 0.00 H new ATOM 0 HE2 MET C 467 -16.683 -14.711 13.560 1.00 0.00 H new ATOM 0 HE3 MET C 467 -17.883 -15.900 13.001 1.00 0.00 H new ATOM 229 N PHE C 468 -15.403 -19.030 10.455 1.00 0.00 N ATOM 230 CA PHE C 468 -15.836 -19.619 9.198 1.00 0.00 C ATOM 231 C PHE C 468 -14.745 -19.502 8.133 1.00 0.00 C ATOM 232 O PHE C 468 -14.736 -18.557 7.350 1.00 0.00 O ATOM 233 CB PHE C 468 -17.117 -18.934 8.705 1.00 0.00 C ATOM 234 CG PHE C 468 -18.321 -19.187 9.569 1.00 0.00 C ATOM 235 CD1 PHE C 468 -18.584 -18.386 10.668 1.00 0.00 C ATOM 236 CD2 PHE C 468 -19.187 -20.225 9.280 1.00 0.00 C ATOM 237 CE1 PHE C 468 -19.688 -18.618 11.460 1.00 0.00 C ATOM 238 CE2 PHE C 468 -20.293 -20.462 10.068 1.00 0.00 C ATOM 239 CZ PHE C 468 -20.546 -19.657 11.160 1.00 0.00 C ATOM 0 H PHE C 468 -15.093 -18.061 10.376 1.00 0.00 H new ATOM 0 HA PHE C 468 -16.037 -20.676 9.373 1.00 0.00 H new ATOM 0 HB2 PHE C 468 -16.943 -17.859 8.649 1.00 0.00 H new ATOM 0 HB3 PHE C 468 -17.332 -19.275 7.692 1.00 0.00 H new ATOM 0 HD1 PHE C 468 -17.917 -17.571 10.907 1.00 0.00 H new ATOM 0 HD2 PHE C 468 -18.995 -20.858 8.426 1.00 0.00 H new ATOM 0 HE1 PHE C 468 -19.882 -17.987 12.315 1.00 0.00 H new ATOM 0 HE2 PHE C 468 -20.961 -21.277 9.831 1.00 0.00 H new ATOM 0 HZ PHE C 468 -21.413 -19.839 11.778 1.00 0.00 H new ATOM 249 N PRO C 469 -13.796 -20.449 8.109 1.00 0.00 N ATOM 250 CA PRO C 469 -12.700 -20.451 7.132 1.00 0.00 C ATOM 251 C PRO C 469 -13.158 -20.855 5.727 1.00 0.00 C ATOM 252 O PRO C 469 -12.413 -20.714 4.757 1.00 0.00 O ATOM 253 CB PRO C 469 -11.740 -21.498 7.692 1.00 0.00 C ATOM 254 CG PRO C 469 -12.616 -22.425 8.447 1.00 0.00 C ATOM 255 CD PRO C 469 -13.680 -21.569 9.058 1.00 0.00 C ATOM 0 HA PRO C 469 -12.264 -19.459 7.012 1.00 0.00 H new ATOM 0 HB2 PRO C 469 -11.205 -22.015 6.895 1.00 0.00 H new ATOM 0 HB3 PRO C 469 -10.988 -21.045 8.338 1.00 0.00 H new ATOM 0 HG2 PRO C 469 -13.049 -23.178 7.789 1.00 0.00 H new ATOM 0 HG3 PRO C 469 -12.054 -22.958 9.214 1.00 0.00 H new ATOM 0 HD2 PRO C 469 -14.621 -22.109 9.161 1.00 0.00 H new ATOM 0 HD3 PRO C 469 -13.399 -21.226 10.054 1.00 0.00 H new ATOM 263 N GLN C 470 -14.383 -21.361 5.629 1.00 0.00 N ATOM 264 CA GLN C 470 -14.938 -21.808 4.353 1.00 0.00 C ATOM 265 C GLN C 470 -15.120 -20.641 3.379 1.00 0.00 C ATOM 266 O GLN C 470 -14.938 -20.793 2.166 1.00 0.00 O ATOM 267 CB GLN C 470 -16.283 -22.510 4.570 1.00 0.00 C ATOM 268 CG GLN C 470 -17.369 -21.588 5.109 1.00 0.00 C ATOM 269 CD GLN C 470 -18.723 -22.255 5.209 1.00 0.00 C ATOM 270 OE1 GLN C 470 -19.047 -23.155 4.435 1.00 0.00 O ATOM 271 NE2 GLN C 470 -19.521 -21.814 6.159 1.00 0.00 N ATOM 0 H GLN C 470 -15.015 -21.473 6.422 1.00 0.00 H new ATOM 0 HA GLN C 470 -14.228 -22.511 3.917 1.00 0.00 H new ATOM 0 HB2 GLN C 470 -16.617 -22.938 3.625 1.00 0.00 H new ATOM 0 HB3 GLN C 470 -16.144 -23.339 5.264 1.00 0.00 H new ATOM 0 HG2 GLN C 470 -17.075 -21.229 6.095 1.00 0.00 H new ATOM 0 HG3 GLN C 470 -17.449 -20.714 4.462 1.00 0.00 H new ATOM 0 HE21 GLN C 470 -19.211 -21.065 6.779 1.00 0.00 H new ATOM 0 HE22 GLN C 470 -20.449 -22.221 6.275 1.00 0.00 H new ATOM 280 N VAL C 471 -15.465 -19.482 3.911 1.00 0.00 N ATOM 281 CA VAL C 471 -15.728 -18.321 3.092 1.00 0.00 C ATOM 282 C VAL C 471 -14.443 -17.528 2.826 1.00 0.00 C ATOM 283 O VAL C 471 -13.724 -17.154 3.756 1.00 0.00 O ATOM 284 CB VAL C 471 -16.823 -17.411 3.723 1.00 0.00 C ATOM 285 CG1 VAL C 471 -16.456 -16.994 5.136 1.00 0.00 C ATOM 286 CG2 VAL C 471 -17.093 -16.193 2.849 1.00 0.00 C ATOM 0 H VAL C 471 -15.569 -19.323 4.913 1.00 0.00 H new ATOM 0 HA VAL C 471 -16.108 -18.678 2.135 1.00 0.00 H new ATOM 0 HB VAL C 471 -17.741 -17.997 3.781 1.00 0.00 H new ATOM 0 HG11 VAL C 471 -17.243 -16.360 5.544 1.00 0.00 H new ATOM 0 HG12 VAL C 471 -16.344 -17.881 5.760 1.00 0.00 H new ATOM 0 HG13 VAL C 471 -15.517 -16.441 5.120 1.00 0.00 H new ATOM 0 HG21 VAL C 471 -17.862 -15.575 3.313 1.00 0.00 H new ATOM 0 HG22 VAL C 471 -16.177 -15.612 2.741 1.00 0.00 H new ATOM 0 HG23 VAL C 471 -17.434 -16.519 1.866 1.00 0.00 H new ATOM 296 N PRO C 472 -14.119 -17.314 1.534 1.00 0.00 N ATOM 297 CA PRO C 472 -12.932 -16.557 1.117 1.00 0.00 C ATOM 298 C PRO C 472 -12.852 -15.181 1.761 1.00 0.00 C ATOM 299 O PRO C 472 -13.839 -14.444 1.809 1.00 0.00 O ATOM 300 CB PRO C 472 -13.110 -16.426 -0.393 1.00 0.00 C ATOM 301 CG PRO C 472 -13.918 -17.611 -0.764 1.00 0.00 C ATOM 302 CD PRO C 472 -14.869 -17.825 0.376 1.00 0.00 C ATOM 0 HA PRO C 472 -12.011 -17.058 1.415 1.00 0.00 H new ATOM 0 HB2 PRO C 472 -13.618 -15.498 -0.656 1.00 0.00 H new ATOM 0 HB3 PRO C 472 -12.150 -16.420 -0.909 1.00 0.00 H new ATOM 0 HG2 PRO C 472 -14.456 -17.442 -1.697 1.00 0.00 H new ATOM 0 HG3 PRO C 472 -13.285 -18.485 -0.915 1.00 0.00 H new ATOM 0 HD2 PRO C 472 -15.803 -17.283 0.229 1.00 0.00 H new ATOM 0 HD3 PRO C 472 -15.126 -18.878 0.495 1.00 0.00 H new ATOM 310 N TYR C 473 -11.657 -14.842 2.214 1.00 0.00 N ATOM 311 CA TYR C 473 -11.374 -13.588 2.910 1.00 0.00 C ATOM 312 C TYR C 473 -11.923 -12.366 2.157 1.00 0.00 C ATOM 313 O TYR C 473 -12.561 -11.499 2.756 1.00 0.00 O ATOM 314 CB TYR C 473 -9.858 -13.464 3.111 1.00 0.00 C ATOM 315 CG TYR C 473 -9.407 -12.231 3.862 1.00 0.00 C ATOM 316 CD1 TYR C 473 -9.673 -12.076 5.216 1.00 0.00 C ATOM 317 CD2 TYR C 473 -8.686 -11.237 3.218 1.00 0.00 C ATOM 318 CE1 TYR C 473 -9.234 -10.961 5.904 1.00 0.00 C ATOM 319 CE2 TYR C 473 -8.248 -10.121 3.897 1.00 0.00 C ATOM 320 CZ TYR C 473 -8.523 -9.986 5.237 1.00 0.00 C ATOM 321 OH TYR C 473 -8.075 -8.876 5.917 1.00 0.00 O ATOM 0 H TYR C 473 -10.837 -15.439 2.109 1.00 0.00 H new ATOM 0 HA TYR C 473 -11.880 -13.609 3.875 1.00 0.00 H new ATOM 0 HB2 TYR C 473 -9.505 -14.345 3.647 1.00 0.00 H new ATOM 0 HB3 TYR C 473 -9.376 -13.471 2.133 1.00 0.00 H new ATOM 0 HD1 TYR C 473 -10.231 -12.838 5.739 1.00 0.00 H new ATOM 0 HD2 TYR C 473 -8.464 -11.339 2.166 1.00 0.00 H new ATOM 0 HE1 TYR C 473 -9.446 -10.854 6.957 1.00 0.00 H new ATOM 0 HE2 TYR C 473 -7.691 -9.355 3.378 1.00 0.00 H new ATOM 0 HH TYR C 473 -8.096 -8.097 5.322 1.00 0.00 H new ATOM 331 N HIS C 474 -11.698 -12.311 0.848 1.00 0.00 N ATOM 332 CA HIS C 474 -12.158 -11.164 0.056 1.00 0.00 C ATOM 333 C HIS C 474 -13.681 -11.134 -0.074 1.00 0.00 C ATOM 334 O HIS C 474 -14.273 -10.071 -0.174 1.00 0.00 O ATOM 335 CB HIS C 474 -11.488 -11.108 -1.331 1.00 0.00 C ATOM 336 CG HIS C 474 -11.919 -12.173 -2.309 1.00 0.00 C ATOM 337 ND1 HIS C 474 -11.283 -13.388 -2.436 1.00 0.00 N ATOM 338 CD2 HIS C 474 -12.927 -12.188 -3.216 1.00 0.00 C ATOM 339 CE1 HIS C 474 -11.878 -14.100 -3.375 1.00 0.00 C ATOM 340 NE2 HIS C 474 -12.876 -13.398 -3.860 1.00 0.00 N ATOM 0 H HIS C 474 -11.209 -13.031 0.316 1.00 0.00 H new ATOM 0 HA HIS C 474 -11.853 -10.272 0.603 1.00 0.00 H new ATOM 0 HB2 HIS C 474 -11.690 -10.132 -1.773 1.00 0.00 H new ATOM 0 HB3 HIS C 474 -10.409 -11.180 -1.196 1.00 0.00 H new ATOM 0 HD2 HIS C 474 -13.637 -11.395 -3.397 1.00 0.00 H new ATOM 0 HE1 HIS C 474 -11.592 -15.092 -3.691 1.00 0.00 H new ATOM 0 HE2 HIS C 474 -13.511 -13.703 -4.597 1.00 0.00 H new ATOM 349 N LEU C 475 -14.316 -12.302 -0.057 1.00 0.00 N ATOM 350 CA LEU C 475 -15.765 -12.354 -0.155 1.00 0.00 C ATOM 351 C LEU C 475 -16.386 -11.871 1.136 1.00 0.00 C ATOM 352 O LEU C 475 -17.509 -11.372 1.151 1.00 0.00 O ATOM 353 CB LEU C 475 -16.255 -13.761 -0.508 1.00 0.00 C ATOM 354 CG LEU C 475 -15.992 -14.219 -1.950 1.00 0.00 C ATOM 355 CD1 LEU C 475 -16.604 -15.586 -2.196 1.00 0.00 C ATOM 356 CD2 LEU C 475 -16.544 -13.207 -2.946 1.00 0.00 C ATOM 0 H LEU C 475 -13.857 -13.209 0.022 1.00 0.00 H new ATOM 0 HA LEU C 475 -16.077 -11.694 -0.964 1.00 0.00 H new ATOM 0 HB2 LEU C 475 -15.782 -14.471 0.170 1.00 0.00 H new ATOM 0 HB3 LEU C 475 -17.328 -13.809 -0.322 1.00 0.00 H new ATOM 0 HG LEU C 475 -14.914 -14.290 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU C 475 -16.407 -15.893 -3.223 1.00 0.00 H new ATOM 0 HD12 LEU C 475 -16.165 -16.310 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU C 475 -17.680 -15.538 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU C 475 -16.347 -13.551 -3.961 1.00 0.00 H new ATOM 0 HD22 LEU C 475 -17.619 -13.103 -2.801 1.00 0.00 H new ATOM 0 HD23 LEU C 475 -16.061 -12.242 -2.790 1.00 0.00 H new ATOM 368 N VAL C 476 -15.633 -12.004 2.218 1.00 0.00 N ATOM 369 CA VAL C 476 -16.074 -11.511 3.508 1.00 0.00 C ATOM 370 C VAL C 476 -15.939 -9.994 3.515 1.00 0.00 C ATOM 371 O VAL C 476 -16.863 -9.278 3.890 1.00 0.00 O ATOM 372 CB VAL C 476 -15.244 -12.114 4.672 1.00 0.00 C ATOM 373 CG1 VAL C 476 -15.848 -11.738 6.012 1.00 0.00 C ATOM 374 CG2 VAL C 476 -15.141 -13.621 4.543 1.00 0.00 C ATOM 0 H VAL C 476 -14.715 -12.449 2.225 1.00 0.00 H new ATOM 0 HA VAL C 476 -17.111 -11.810 3.659 1.00 0.00 H new ATOM 0 HB VAL C 476 -14.238 -11.698 4.616 1.00 0.00 H new ATOM 0 HG11 VAL C 476 -15.251 -12.171 6.815 1.00 0.00 H new ATOM 0 HG12 VAL C 476 -15.861 -10.653 6.114 1.00 0.00 H new ATOM 0 HG13 VAL C 476 -16.867 -12.120 6.072 1.00 0.00 H new ATOM 0 HG21 VAL C 476 -14.554 -14.018 5.371 1.00 0.00 H new ATOM 0 HG22 VAL C 476 -16.140 -14.057 4.564 1.00 0.00 H new ATOM 0 HG23 VAL C 476 -14.655 -13.873 3.601 1.00 0.00 H new ATOM 384 N LEU C 477 -14.776 -9.517 3.056 1.00 0.00 N ATOM 385 CA LEU C 477 -14.504 -8.084 2.923 1.00 0.00 C ATOM 386 C LEU C 477 -15.595 -7.414 2.104 1.00 0.00 C ATOM 387 O LEU C 477 -16.050 -6.320 2.432 1.00 0.00 O ATOM 388 CB LEU C 477 -13.151 -7.878 2.234 1.00 0.00 C ATOM 389 CG LEU C 477 -11.912 -8.259 3.040 1.00 0.00 C ATOM 390 CD1 LEU C 477 -10.661 -8.093 2.196 1.00 0.00 C ATOM 391 CD2 LEU C 477 -11.811 -7.413 4.296 1.00 0.00 C ATOM 0 H LEU C 477 -14.000 -10.113 2.768 1.00 0.00 H new ATOM 0 HA LEU C 477 -14.481 -7.638 3.917 1.00 0.00 H new ATOM 0 HB2 LEU C 477 -13.147 -8.455 1.309 1.00 0.00 H new ATOM 0 HB3 LEU C 477 -13.067 -6.828 1.954 1.00 0.00 H new ATOM 0 HG LEU C 477 -12.002 -9.305 3.333 1.00 0.00 H new ATOM 0 HD11 LEU C 477 -9.786 -8.368 2.785 1.00 0.00 H new ATOM 0 HD12 LEU C 477 -10.726 -8.737 1.319 1.00 0.00 H new ATOM 0 HD13 LEU C 477 -10.572 -7.054 1.878 1.00 0.00 H new ATOM 0 HD21 LEU C 477 -10.922 -7.699 4.857 1.00 0.00 H new ATOM 0 HD22 LEU C 477 -11.743 -6.360 4.021 1.00 0.00 H new ATOM 0 HD23 LEU C 477 -12.696 -7.571 4.913 1.00 0.00 H new ATOM 403 N GLN C 478 -16.005 -8.092 1.038 1.00 0.00 N ATOM 404 CA GLN C 478 -17.057 -7.621 0.164 1.00 0.00 C ATOM 405 C GLN C 478 -18.311 -7.270 0.961 1.00 0.00 C ATOM 406 O GLN C 478 -18.809 -6.154 0.882 1.00 0.00 O ATOM 407 CB GLN C 478 -17.390 -8.701 -0.861 1.00 0.00 C ATOM 408 CG GLN C 478 -18.449 -8.289 -1.863 1.00 0.00 C ATOM 409 CD GLN C 478 -18.978 -9.454 -2.681 1.00 0.00 C ATOM 410 OE1 GLN C 478 -19.040 -10.627 -2.077 1.00 0.00 O flip ATOM 411 NE2 GLN C 478 -19.350 -9.293 -3.845 1.00 0.00 N flip ATOM 0 H GLN C 478 -15.610 -8.990 0.759 1.00 0.00 H new ATOM 0 HA GLN C 478 -16.708 -6.722 -0.344 1.00 0.00 H new ATOM 0 HB2 GLN C 478 -16.481 -8.971 -1.398 1.00 0.00 H new ATOM 0 HB3 GLN C 478 -17.728 -9.595 -0.336 1.00 0.00 H new ATOM 0 HG2 GLN C 478 -19.278 -7.818 -1.334 1.00 0.00 H new ATOM 0 HG3 GLN C 478 -18.033 -7.539 -2.536 1.00 0.00 H new ATOM 0 HE21 GLN C 478 -19.287 -8.372 -4.278 1.00 0.00 H new ATOM 0 HE22 GLN C 478 -19.721 -10.081 -4.375 1.00 0.00 H new ATOM 420 N ASP C 479 -18.794 -8.226 1.748 1.00 0.00 N ATOM 421 CA ASP C 479 -20.016 -8.036 2.531 1.00 0.00 C ATOM 422 C ASP C 479 -19.823 -6.977 3.601 1.00 0.00 C ATOM 423 O ASP C 479 -20.736 -6.234 3.911 1.00 0.00 O ATOM 424 CB ASP C 479 -20.457 -9.343 3.172 1.00 0.00 C ATOM 425 CG ASP C 479 -21.862 -9.264 3.752 1.00 0.00 C ATOM 426 OD1 ASP C 479 -22.024 -8.744 4.880 1.00 0.00 O ATOM 427 OD2 ASP C 479 -22.810 -9.728 3.078 1.00 0.00 O ATOM 0 H ASP C 479 -18.360 -9.142 1.862 1.00 0.00 H new ATOM 0 HA ASP C 479 -20.794 -7.699 1.846 1.00 0.00 H new ATOM 0 HB2 ASP C 479 -20.419 -10.139 2.429 1.00 0.00 H new ATOM 0 HB3 ASP C 479 -19.756 -9.611 3.962 1.00 0.00 H new ATOM 432 N LEU C 480 -18.625 -6.890 4.146 1.00 0.00 N ATOM 433 CA LEU C 480 -18.335 -5.899 5.168 1.00 0.00 C ATOM 434 C LEU C 480 -18.328 -4.508 4.573 1.00 0.00 C ATOM 435 O LEU C 480 -18.494 -3.523 5.277 1.00 0.00 O ATOM 436 CB LEU C 480 -17.018 -6.190 5.897 1.00 0.00 C ATOM 437 CG LEU C 480 -17.127 -7.062 7.152 1.00 0.00 C ATOM 438 CD1 LEU C 480 -18.259 -6.593 8.049 1.00 0.00 C ATOM 439 CD2 LEU C 480 -17.327 -8.494 6.782 1.00 0.00 C ATOM 0 H LEU C 480 -17.838 -7.491 3.900 1.00 0.00 H new ATOM 0 HA LEU C 480 -19.130 -5.956 5.912 1.00 0.00 H new ATOM 0 HB2 LEU C 480 -16.338 -6.677 5.198 1.00 0.00 H new ATOM 0 HB3 LEU C 480 -16.562 -5.240 6.176 1.00 0.00 H new ATOM 0 HG LEU C 480 -16.191 -6.968 7.703 1.00 0.00 H new ATOM 0 HD11 LEU C 480 -18.312 -7.231 8.931 1.00 0.00 H new ATOM 0 HD12 LEU C 480 -18.077 -5.563 8.356 1.00 0.00 H new ATOM 0 HD13 LEU C 480 -19.202 -6.648 7.504 1.00 0.00 H new ATOM 0 HD21 LEU C 480 -17.402 -9.097 7.687 1.00 0.00 H new ATOM 0 HD22 LEU C 480 -18.244 -8.595 6.202 1.00 0.00 H new ATOM 0 HD23 LEU C 480 -16.481 -8.837 6.187 1.00 0.00 H new ATOM 451 N GLN C 481 -18.136 -4.436 3.275 1.00 0.00 N ATOM 452 CA GLN C 481 -18.215 -3.184 2.568 1.00 0.00 C ATOM 453 C GLN C 481 -19.669 -2.845 2.296 1.00 0.00 C ATOM 454 O GLN C 481 -20.021 -1.688 2.059 1.00 0.00 O ATOM 455 CB GLN C 481 -17.426 -3.258 1.262 1.00 0.00 C ATOM 456 CG GLN C 481 -15.927 -3.185 1.461 1.00 0.00 C ATOM 457 CD GLN C 481 -15.442 -1.771 1.732 1.00 0.00 C ATOM 458 OE1 GLN C 481 -16.190 -0.922 2.226 1.00 0.00 O ATOM 459 NE2 GLN C 481 -14.184 -1.518 1.448 1.00 0.00 N ATOM 0 H GLN C 481 -17.922 -5.240 2.685 1.00 0.00 H new ATOM 0 HA GLN C 481 -17.777 -2.398 3.183 1.00 0.00 H new ATOM 0 HB2 GLN C 481 -17.672 -4.188 0.749 1.00 0.00 H new ATOM 0 HB3 GLN C 481 -17.739 -2.442 0.610 1.00 0.00 H new ATOM 0 HG2 GLN C 481 -15.643 -3.828 2.294 1.00 0.00 H new ATOM 0 HG3 GLN C 481 -15.427 -3.573 0.573 1.00 0.00 H new ATOM 0 HE21 GLN C 481 -13.597 -2.246 1.040 1.00 0.00 H new ATOM 0 HE22 GLN C 481 -13.795 -0.594 1.635 1.00 0.00 H new ATOM 468 N LEU C 482 -20.509 -3.866 2.349 1.00 0.00 N ATOM 469 CA LEU C 482 -21.920 -3.722 2.090 1.00 0.00 C ATOM 470 C LEU C 482 -22.695 -3.481 3.389 1.00 0.00 C ATOM 471 O LEU C 482 -23.393 -2.476 3.532 1.00 0.00 O ATOM 472 CB LEU C 482 -22.460 -4.988 1.407 1.00 0.00 C ATOM 473 CG LEU C 482 -21.624 -5.550 0.251 1.00 0.00 C ATOM 474 CD1 LEU C 482 -22.360 -6.679 -0.448 1.00 0.00 C ATOM 475 CD2 LEU C 482 -21.241 -4.461 -0.733 1.00 0.00 C ATOM 0 H LEU C 482 -20.224 -4.819 2.574 1.00 0.00 H new ATOM 0 HA LEU C 482 -22.056 -2.861 1.435 1.00 0.00 H new ATOM 0 HB2 LEU C 482 -22.563 -5.766 2.163 1.00 0.00 H new ATOM 0 HB3 LEU C 482 -23.461 -4.773 1.032 1.00 0.00 H new ATOM 0 HG LEU C 482 -20.703 -5.954 0.672 1.00 0.00 H new ATOM 0 HD11 LEU C 482 -21.748 -7.062 -1.264 1.00 0.00 H new ATOM 0 HD12 LEU C 482 -22.558 -7.480 0.264 1.00 0.00 H new ATOM 0 HD13 LEU C 482 -23.304 -6.306 -0.846 1.00 0.00 H new ATOM 0 HD21 LEU C 482 -20.649 -4.892 -1.540 1.00 0.00 H new ATOM 0 HD22 LEU C 482 -22.143 -4.010 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU C 482 -20.655 -3.698 -0.221 1.00 0.00 H new ATOM 487 N THR C 483 -22.548 -4.392 4.338 1.00 0.00 N ATOM 488 CA THR C 483 -23.303 -4.327 5.569 1.00 0.00 C ATOM 489 C THR C 483 -22.535 -3.603 6.659 1.00 0.00 C ATOM 490 O THR C 483 -23.124 -2.860 7.445 1.00 0.00 O ATOM 491 CB THR C 483 -23.667 -5.737 6.067 1.00 0.00 C ATOM 492 OG1 THR C 483 -22.471 -6.500 6.264 1.00 0.00 O ATOM 493 CG2 THR C 483 -24.564 -6.446 5.066 1.00 0.00 C ATOM 0 H THR C 483 -21.910 -5.185 4.274 1.00 0.00 H new ATOM 0 HA THR C 483 -24.214 -3.770 5.350 1.00 0.00 H new ATOM 0 HB THR C 483 -24.205 -5.644 7.011 1.00 0.00 H new ATOM 0 HG1 THR C 483 -22.388 -7.168 5.552 1.00 0.00 H new ATOM 0 HG21 THR C 483 -24.809 -7.441 5.438 1.00 0.00 H new ATOM 0 HG22 THR C 483 -25.481 -5.873 4.930 1.00 0.00 H new ATOM 0 HG23 THR C 483 -24.046 -6.533 4.111 1.00 0.00 H new ATOM 501 N ARG C 484 -21.211 -3.807 6.687 1.00 0.00 N ATOM 502 CA ARG C 484 -20.348 -3.238 7.715 1.00 0.00 C ATOM 503 C ARG C 484 -20.694 -3.799 9.088 1.00 0.00 C ATOM 504 O ARG C 484 -20.372 -3.206 10.117 1.00 0.00 O ATOM 505 CB ARG C 484 -20.441 -1.721 7.722 1.00 0.00 C ATOM 506 CG ARG C 484 -19.941 -1.074 6.454 1.00 0.00 C ATOM 507 CD ARG C 484 -20.128 0.418 6.496 1.00 0.00 C ATOM 508 NE ARG C 484 -19.394 1.037 7.605 1.00 0.00 N ATOM 509 CZ ARG C 484 -19.274 2.353 7.788 1.00 0.00 C ATOM 510 NH1 ARG C 484 -19.820 3.202 6.919 1.00 0.00 N ATOM 511 NH2 ARG C 484 -18.610 2.818 8.840 1.00 0.00 N ATOM 0 H ARG C 484 -20.715 -4.371 5.997 1.00 0.00 H new ATOM 0 HA ARG C 484 -19.321 -3.517 7.481 1.00 0.00 H new ATOM 0 HB2 ARG C 484 -21.479 -1.431 7.882 1.00 0.00 H new ATOM 0 HB3 ARG C 484 -19.869 -1.335 8.566 1.00 0.00 H new ATOM 0 HG2 ARG C 484 -18.885 -1.307 6.315 1.00 0.00 H new ATOM 0 HG3 ARG C 484 -20.474 -1.486 5.597 1.00 0.00 H new ATOM 0 HD2 ARG C 484 -19.793 0.851 5.554 1.00 0.00 H new ATOM 0 HD3 ARG C 484 -21.189 0.647 6.592 1.00 0.00 H new ATOM 0 HE ARG C 484 -18.945 0.420 8.282 1.00 0.00 H new ATOM 0 HH11 ARG C 484 -20.331 2.846 6.111 1.00 0.00 H new ATOM 0 HH12 ARG C 484 -19.727 4.208 7.061 1.00 0.00 H new ATOM 0 HH21 ARG C 484 -18.192 2.169 9.507 1.00 0.00 H new ATOM 0 HH22 ARG C 484 -18.518 3.824 8.981 1.00 0.00 H new ATOM 525 N SER C 485 -21.329 -4.958 9.099 1.00 0.00 N ATOM 526 CA SER C 485 -21.727 -5.589 10.332 1.00 0.00 C ATOM 527 C SER C 485 -21.434 -7.069 10.279 1.00 0.00 C ATOM 528 O SER C 485 -22.112 -7.806 9.571 1.00 0.00 O ATOM 529 CB SER C 485 -23.219 -5.375 10.580 1.00 0.00 C ATOM 530 OG SER C 485 -23.594 -5.842 11.869 1.00 0.00 O ATOM 0 H SER C 485 -21.579 -5.479 8.259 1.00 0.00 H new ATOM 0 HA SER C 485 -21.160 -5.139 11.147 1.00 0.00 H new ATOM 0 HB2 SER C 485 -23.458 -4.315 10.490 1.00 0.00 H new ATOM 0 HB3 SER C 485 -23.797 -5.898 9.818 1.00 0.00 H new ATOM 0 HG SER C 485 -24.508 -5.552 12.069 1.00 0.00 H new ATOM 536 N VAL C 486 -20.433 -7.511 11.036 1.00 0.00 N ATOM 537 CA VAL C 486 -20.066 -8.915 11.053 1.00 0.00 C ATOM 538 C VAL C 486 -21.215 -9.781 11.547 1.00 0.00 C ATOM 539 O VAL C 486 -21.323 -10.949 11.179 1.00 0.00 O ATOM 540 CB VAL C 486 -18.810 -9.182 11.906 1.00 0.00 C ATOM 541 CG1 VAL C 486 -17.673 -8.308 11.454 1.00 0.00 C ATOM 542 CG2 VAL C 486 -19.077 -8.991 13.385 1.00 0.00 C ATOM 0 H VAL C 486 -19.867 -6.917 11.641 1.00 0.00 H new ATOM 0 HA VAL C 486 -19.836 -9.183 10.022 1.00 0.00 H new ATOM 0 HB VAL C 486 -18.532 -10.226 11.761 1.00 0.00 H new ATOM 0 HG11 VAL C 486 -16.794 -8.509 12.066 1.00 0.00 H new ATOM 0 HG12 VAL C 486 -17.444 -8.520 10.410 1.00 0.00 H new ATOM 0 HG13 VAL C 486 -17.956 -7.260 11.558 1.00 0.00 H new ATOM 0 HG21 VAL C 486 -18.165 -9.189 13.948 1.00 0.00 H new ATOM 0 HG22 VAL C 486 -19.400 -7.966 13.567 1.00 0.00 H new ATOM 0 HG23 VAL C 486 -19.858 -9.680 13.706 1.00 0.00 H new ATOM 552 N GLU C 487 -22.074 -9.201 12.375 1.00 0.00 N ATOM 553 CA GLU C 487 -23.235 -9.903 12.884 1.00 0.00 C ATOM 554 C GLU C 487 -24.170 -10.246 11.744 1.00 0.00 C ATOM 555 O GLU C 487 -24.763 -11.328 11.711 1.00 0.00 O ATOM 556 CB GLU C 487 -23.949 -9.058 13.931 1.00 0.00 C ATOM 557 CG GLU C 487 -23.098 -8.771 15.149 1.00 0.00 C ATOM 558 CD GLU C 487 -22.625 -10.040 15.822 1.00 0.00 C ATOM 559 OE1 GLU C 487 -23.369 -10.577 16.665 1.00 0.00 O ATOM 560 OE2 GLU C 487 -21.515 -10.509 15.506 1.00 0.00 O ATOM 0 H GLU C 487 -21.984 -8.241 12.707 1.00 0.00 H new ATOM 0 HA GLU C 487 -22.910 -10.829 13.359 1.00 0.00 H new ATOM 0 HB2 GLU C 487 -24.255 -8.114 13.479 1.00 0.00 H new ATOM 0 HB3 GLU C 487 -24.858 -9.571 14.244 1.00 0.00 H new ATOM 0 HG2 GLU C 487 -22.235 -8.173 14.856 1.00 0.00 H new ATOM 0 HG3 GLU C 487 -23.671 -8.176 15.860 1.00 0.00 H new ATOM 567 N ILE C 488 -24.287 -9.324 10.802 1.00 0.00 N ATOM 568 CA ILE C 488 -25.082 -9.559 9.624 1.00 0.00 C ATOM 569 C ILE C 488 -24.317 -10.470 8.690 1.00 0.00 C ATOM 570 O ILE C 488 -24.785 -11.520 8.361 1.00 0.00 O ATOM 571 CB ILE C 488 -25.432 -8.247 8.886 1.00 0.00 C ATOM 572 CG1 ILE C 488 -26.126 -7.265 9.836 1.00 0.00 C ATOM 573 CG2 ILE C 488 -26.318 -8.539 7.685 1.00 0.00 C ATOM 574 CD1 ILE C 488 -26.516 -5.950 9.186 1.00 0.00 C ATOM 0 H ILE C 488 -23.839 -8.408 10.837 1.00 0.00 H new ATOM 0 HA ILE C 488 -26.019 -10.021 9.936 1.00 0.00 H new ATOM 0 HB ILE C 488 -24.507 -7.790 8.534 1.00 0.00 H new ATOM 0 HG12 ILE C 488 -27.021 -7.738 10.241 1.00 0.00 H new ATOM 0 HG13 ILE C 488 -25.464 -7.061 10.678 1.00 0.00 H new ATOM 0 HG21 ILE C 488 -26.557 -7.606 7.174 1.00 0.00 H new ATOM 0 HG22 ILE C 488 -25.794 -9.204 6.999 1.00 0.00 H new ATOM 0 HG23 ILE C 488 -27.239 -9.016 8.020 1.00 0.00 H new ATOM 0 HD11 ILE C 488 -27.001 -5.310 9.923 1.00 0.00 H new ATOM 0 HD12 ILE C 488 -25.623 -5.453 8.806 1.00 0.00 H new ATOM 0 HD13 ILE C 488 -27.204 -6.141 8.362 1.00 0.00 H new ATOM 586 N THR C 489 -23.113 -10.042 8.304 1.00 0.00 N ATOM 587 CA THR C 489 -22.208 -10.799 7.434 1.00 0.00 C ATOM 588 C THR C 489 -22.152 -12.299 7.786 1.00 0.00 C ATOM 589 O THR C 489 -22.235 -13.141 6.902 1.00 0.00 O ATOM 590 CB THR C 489 -20.789 -10.212 7.519 1.00 0.00 C ATOM 591 OG1 THR C 489 -20.842 -8.806 7.273 1.00 0.00 O ATOM 592 CG2 THR C 489 -19.860 -10.859 6.507 1.00 0.00 C ATOM 0 H THR C 489 -22.731 -9.141 8.593 1.00 0.00 H new ATOM 0 HA THR C 489 -22.602 -10.713 6.422 1.00 0.00 H new ATOM 0 HB THR C 489 -20.400 -10.409 8.518 1.00 0.00 H new ATOM 0 HG1 THR C 489 -21.249 -8.642 6.397 1.00 0.00 H new ATOM 0 HG21 THR C 489 -18.866 -10.421 6.594 1.00 0.00 H new ATOM 0 HG22 THR C 489 -19.803 -11.930 6.699 1.00 0.00 H new ATOM 0 HG23 THR C 489 -20.244 -10.690 5.501 1.00 0.00 H new ATOM 600 N THR C 490 -22.029 -12.629 9.069 1.00 0.00 N ATOM 601 CA THR C 490 -21.959 -14.027 9.474 1.00 0.00 C ATOM 602 C THR C 490 -23.276 -14.741 9.162 1.00 0.00 C ATOM 603 O THR C 490 -23.284 -15.839 8.596 1.00 0.00 O ATOM 604 CB THR C 490 -21.617 -14.175 10.972 1.00 0.00 C ATOM 605 OG1 THR C 490 -20.439 -13.408 11.276 1.00 0.00 O ATOM 606 CG2 THR C 490 -21.359 -15.631 11.311 1.00 0.00 C ATOM 0 H THR C 490 -21.976 -11.957 9.835 1.00 0.00 H new ATOM 0 HA THR C 490 -21.155 -14.491 8.903 1.00 0.00 H new ATOM 0 HB THR C 490 -22.460 -13.812 11.560 1.00 0.00 H new ATOM 0 HG1 THR C 490 -20.700 -12.508 11.562 1.00 0.00 H new ATOM 0 HG21 THR C 490 -21.119 -15.721 12.370 1.00 0.00 H new ATOM 0 HG22 THR C 490 -22.249 -16.219 11.089 1.00 0.00 H new ATOM 0 HG23 THR C 490 -20.523 -16.000 10.717 1.00 0.00 H new ATOM 614 N ASP C 491 -24.387 -14.097 9.503 1.00 0.00 N ATOM 615 CA ASP C 491 -25.715 -14.640 9.205 1.00 0.00 C ATOM 616 C ASP C 491 -25.922 -14.633 7.704 1.00 0.00 C ATOM 617 O ASP C 491 -26.545 -15.522 7.143 1.00 0.00 O ATOM 618 CB ASP C 491 -26.800 -13.800 9.882 1.00 0.00 C ATOM 619 CG ASP C 491 -28.200 -14.290 9.562 1.00 0.00 C ATOM 620 OD1 ASP C 491 -28.666 -15.255 10.212 1.00 0.00 O ATOM 621 OD2 ASP C 491 -28.846 -13.711 8.667 1.00 0.00 O ATOM 0 H ASP C 491 -24.398 -13.199 9.986 1.00 0.00 H new ATOM 0 HA ASP C 491 -25.782 -15.659 9.585 1.00 0.00 H new ATOM 0 HB2 ASP C 491 -26.650 -13.820 10.961 1.00 0.00 H new ATOM 0 HB3 ASP C 491 -26.701 -12.762 9.566 1.00 0.00 H new ATOM 626 N ASN C 492 -25.371 -13.614 7.078 1.00 0.00 N ATOM 627 CA ASN C 492 -25.396 -13.429 5.645 1.00 0.00 C ATOM 628 C ASN C 492 -24.776 -14.631 4.947 1.00 0.00 C ATOM 629 O ASN C 492 -25.350 -15.179 4.006 1.00 0.00 O ATOM 630 CB ASN C 492 -24.650 -12.132 5.288 1.00 0.00 C ATOM 631 CG ASN C 492 -25.572 -10.944 5.183 1.00 0.00 C ATOM 632 OD1 ASN C 492 -26.675 -10.951 5.725 1.00 0.00 O ATOM 633 ND2 ASN C 492 -25.123 -9.906 4.511 1.00 0.00 N ATOM 0 H ASN C 492 -24.878 -12.869 7.570 1.00 0.00 H new ATOM 0 HA ASN C 492 -26.428 -13.344 5.304 1.00 0.00 H new ATOM 0 HB2 ASN C 492 -23.892 -11.933 6.045 1.00 0.00 H new ATOM 0 HB3 ASN C 492 -24.127 -12.267 4.341 1.00 0.00 H new ATOM 0 HD21 ASN C 492 -25.697 -9.067 4.425 1.00 0.00 H new ATOM 0 HD22 ASN C 492 -24.201 -9.940 4.076 1.00 0.00 H new ATOM 640 N ILE C 493 -23.608 -15.048 5.426 1.00 0.00 N ATOM 641 CA ILE C 493 -22.938 -16.234 4.905 1.00 0.00 C ATOM 642 C ILE C 493 -23.873 -17.436 5.009 1.00 0.00 C ATOM 643 O ILE C 493 -24.120 -18.146 4.031 1.00 0.00 O ATOM 644 CB ILE C 493 -21.660 -16.564 5.726 1.00 0.00 C ATOM 645 CG1 ILE C 493 -20.681 -15.403 5.719 1.00 0.00 C ATOM 646 CG2 ILE C 493 -20.986 -17.821 5.195 1.00 0.00 C ATOM 647 CD1 ILE C 493 -19.577 -15.544 6.746 1.00 0.00 C ATOM 0 H ILE C 493 -23.104 -14.579 6.178 1.00 0.00 H new ATOM 0 HA ILE C 493 -22.667 -16.031 3.869 1.00 0.00 H new ATOM 0 HB ILE C 493 -21.970 -16.740 6.756 1.00 0.00 H new ATOM 0 HG12 ILE C 493 -20.237 -15.318 4.727 1.00 0.00 H new ATOM 0 HG13 ILE C 493 -21.225 -14.477 5.905 1.00 0.00 H new ATOM 0 HG21 ILE C 493 -20.094 -18.032 5.785 1.00 0.00 H new ATOM 0 HG22 ILE C 493 -21.676 -18.662 5.267 1.00 0.00 H new ATOM 0 HG23 ILE C 493 -20.705 -17.670 4.153 1.00 0.00 H new ATOM 0 HD11 ILE C 493 -18.913 -14.681 6.687 1.00 0.00 H new ATOM 0 HD12 ILE C 493 -20.013 -15.599 7.744 1.00 0.00 H new ATOM 0 HD13 ILE C 493 -19.009 -16.453 6.547 1.00 0.00 H new ATOM 659 N LEU C 494 -24.403 -17.623 6.204 1.00 0.00 N ATOM 660 CA LEU C 494 -25.285 -18.735 6.528 1.00 0.00 C ATOM 661 C LEU C 494 -26.589 -18.693 5.722 1.00 0.00 C ATOM 662 O LEU C 494 -27.135 -19.735 5.355 1.00 0.00 O ATOM 663 CB LEU C 494 -25.582 -18.705 8.028 1.00 0.00 C ATOM 664 CG LEU C 494 -24.359 -18.857 8.938 1.00 0.00 C ATOM 665 CD1 LEU C 494 -24.709 -18.516 10.377 1.00 0.00 C ATOM 666 CD2 LEU C 494 -23.800 -20.269 8.847 1.00 0.00 C ATOM 0 H LEU C 494 -24.231 -16.997 6.991 1.00 0.00 H new ATOM 0 HA LEU C 494 -24.782 -19.665 6.261 1.00 0.00 H new ATOM 0 HB2 LEU C 494 -26.077 -17.763 8.265 1.00 0.00 H new ATOM 0 HB3 LEU C 494 -26.288 -19.503 8.258 1.00 0.00 H new ATOM 0 HG LEU C 494 -23.594 -18.158 8.599 1.00 0.00 H new ATOM 0 HD11 LEU C 494 -23.825 -18.631 11.004 1.00 0.00 H new ATOM 0 HD12 LEU C 494 -25.060 -17.486 10.432 1.00 0.00 H new ATOM 0 HD13 LEU C 494 -25.493 -19.186 10.729 1.00 0.00 H new ATOM 0 HD21 LEU C 494 -22.932 -20.359 9.500 1.00 0.00 H new ATOM 0 HD22 LEU C 494 -24.563 -20.983 9.157 1.00 0.00 H new ATOM 0 HD23 LEU C 494 -23.504 -20.478 7.819 1.00 0.00 H new ATOM 678 N GLU C 495 -27.071 -17.489 5.444 1.00 0.00 N ATOM 679 CA GLU C 495 -28.295 -17.284 4.710 1.00 0.00 C ATOM 680 C GLU C 495 -28.090 -17.550 3.216 1.00 0.00 C ATOM 681 O GLU C 495 -29.043 -17.789 2.479 1.00 0.00 O ATOM 682 CB GLU C 495 -28.758 -15.849 4.935 1.00 0.00 C ATOM 683 CG GLU C 495 -30.090 -15.521 4.326 1.00 0.00 C ATOM 684 CD GLU C 495 -31.208 -16.375 4.879 1.00 0.00 C ATOM 685 OE1 GLU C 495 -31.478 -16.288 6.089 1.00 0.00 O ATOM 686 OE2 GLU C 495 -31.816 -17.142 4.107 1.00 0.00 O ATOM 0 H GLU C 495 -26.612 -16.624 5.728 1.00 0.00 H new ATOM 0 HA GLU C 495 -29.053 -17.982 5.066 1.00 0.00 H new ATOM 0 HB2 GLU C 495 -28.807 -15.661 6.007 1.00 0.00 H new ATOM 0 HB3 GLU C 495 -28.009 -15.171 4.526 1.00 0.00 H new ATOM 0 HG2 GLU C 495 -30.318 -14.470 4.504 1.00 0.00 H new ATOM 0 HG3 GLU C 495 -30.035 -15.656 3.246 1.00 0.00 H new ATOM 693 N GLY C 496 -26.846 -17.527 2.784 1.00 0.00 N ATOM 694 CA GLY C 496 -26.553 -17.747 1.384 1.00 0.00 C ATOM 695 C GLY C 496 -26.341 -16.451 0.640 1.00 0.00 C ATOM 696 O GLY C 496 -26.396 -16.411 -0.585 1.00 0.00 O ATOM 0 H GLY C 496 -26.031 -17.360 3.374 1.00 0.00 H new ATOM 0 HA2 GLY C 496 -25.661 -18.367 1.293 1.00 0.00 H new ATOM 0 HA3 GLY C 496 -27.373 -18.299 0.924 1.00 0.00 H new ATOM 700 N ARG C 497 -26.109 -15.384 1.385 1.00 0.00 N ATOM 701 CA ARG C 497 -25.837 -14.082 0.803 1.00 0.00 C ATOM 702 C ARG C 497 -24.468 -14.102 0.156 1.00 0.00 C ATOM 703 O ARG C 497 -24.245 -13.490 -0.886 1.00 0.00 O ATOM 704 CB ARG C 497 -25.883 -13.000 1.885 1.00 0.00 C ATOM 705 CG ARG C 497 -25.600 -11.576 1.393 1.00 0.00 C ATOM 706 CD ARG C 497 -26.710 -11.038 0.486 1.00 0.00 C ATOM 707 NE ARG C 497 -26.729 -11.682 -0.837 1.00 0.00 N ATOM 708 CZ ARG C 497 -27.774 -11.654 -1.675 1.00 0.00 C ATOM 709 NH1 ARG C 497 -28.883 -11.006 -1.341 1.00 0.00 N ATOM 710 NH2 ARG C 497 -27.701 -12.266 -2.846 1.00 0.00 N ATOM 0 H ARG C 497 -26.104 -15.396 2.405 1.00 0.00 H new ATOM 0 HA ARG C 497 -26.595 -13.858 0.052 1.00 0.00 H new ATOM 0 HB2 ARG C 497 -26.867 -13.017 2.353 1.00 0.00 H new ATOM 0 HB3 ARG C 497 -25.158 -13.251 2.659 1.00 0.00 H new ATOM 0 HG2 ARG C 497 -25.484 -10.915 2.252 1.00 0.00 H new ATOM 0 HG3 ARG C 497 -24.654 -11.563 0.851 1.00 0.00 H new ATOM 0 HD2 ARG C 497 -27.674 -11.188 0.972 1.00 0.00 H new ATOM 0 HD3 ARG C 497 -26.580 -9.963 0.360 1.00 0.00 H new ATOM 0 HE ARG C 497 -25.892 -12.182 -1.136 1.00 0.00 H new ATOM 0 HH11 ARG C 497 -28.943 -10.526 -0.443 1.00 0.00 H new ATOM 0 HH12 ARG C 497 -29.676 -10.988 -1.983 1.00 0.00 H new ATOM 0 HH21 ARG C 497 -26.849 -12.760 -3.111 1.00 0.00 H new ATOM 0 HH22 ARG C 497 -28.497 -12.244 -3.483 1.00 0.00 H new ATOM 724 N ILE C 498 -23.563 -14.824 0.788 1.00 0.00 N ATOM 725 CA ILE C 498 -22.213 -14.963 0.307 1.00 0.00 C ATOM 726 C ILE C 498 -21.988 -16.396 -0.142 1.00 0.00 C ATOM 727 O ILE C 498 -22.255 -17.343 0.611 1.00 0.00 O ATOM 728 CB ILE C 498 -21.185 -14.606 1.408 1.00 0.00 C ATOM 729 CG1 ILE C 498 -21.482 -13.218 1.978 1.00 0.00 C ATOM 730 CG2 ILE C 498 -19.772 -14.656 0.848 1.00 0.00 C ATOM 731 CD1 ILE C 498 -20.646 -12.856 3.183 1.00 0.00 C ATOM 0 H ILE C 498 -23.750 -15.331 1.653 1.00 0.00 H new ATOM 0 HA ILE C 498 -22.073 -14.276 -0.528 1.00 0.00 H new ATOM 0 HB ILE C 498 -21.266 -15.338 2.212 1.00 0.00 H new ATOM 0 HG12 ILE C 498 -21.318 -12.474 1.198 1.00 0.00 H new ATOM 0 HG13 ILE C 498 -22.536 -13.167 2.251 1.00 0.00 H new ATOM 0 HG21 ILE C 498 -19.060 -14.403 1.634 1.00 0.00 H new ATOM 0 HG22 ILE C 498 -19.562 -15.660 0.478 1.00 0.00 H new ATOM 0 HG23 ILE C 498 -19.679 -13.941 0.030 1.00 0.00 H new ATOM 0 HD11 ILE C 498 -20.917 -11.858 3.527 1.00 0.00 H new ATOM 0 HD12 ILE C 498 -20.827 -13.576 3.981 1.00 0.00 H new ATOM 0 HD13 ILE C 498 -19.590 -12.873 2.912 1.00 0.00 H new ATOM 743 N GLN C 499 -21.528 -16.556 -1.361 1.00 0.00 N ATOM 744 CA GLN C 499 -21.277 -17.868 -1.909 1.00 0.00 C ATOM 745 C GLN C 499 -20.007 -18.471 -1.322 1.00 0.00 C ATOM 746 O GLN C 499 -18.990 -17.789 -1.176 1.00 0.00 O ATOM 747 CB GLN C 499 -21.166 -17.802 -3.435 1.00 0.00 C ATOM 748 CG GLN C 499 -20.035 -16.912 -3.942 1.00 0.00 C ATOM 749 CD GLN C 499 -19.879 -16.964 -5.448 1.00 0.00 C ATOM 750 OE1 GLN C 499 -20.848 -17.176 -6.179 1.00 0.00 O ATOM 751 NE2 GLN C 499 -18.663 -16.778 -5.923 1.00 0.00 N ATOM 0 H GLN C 499 -21.319 -15.786 -1.997 1.00 0.00 H new ATOM 0 HA GLN C 499 -22.119 -18.507 -1.643 1.00 0.00 H new ATOM 0 HB2 GLN C 499 -21.021 -18.811 -3.821 1.00 0.00 H new ATOM 0 HB3 GLN C 499 -22.110 -17.438 -3.841 1.00 0.00 H new ATOM 0 HG2 GLN C 499 -20.223 -15.883 -3.636 1.00 0.00 H new ATOM 0 HG3 GLN C 499 -19.100 -17.218 -3.473 1.00 0.00 H new ATOM 0 HE21 GLN C 499 -17.887 -16.605 -5.284 1.00 0.00 H new ATOM 0 HE22 GLN C 499 -18.499 -16.807 -6.929 1.00 0.00 H new ATOM 760 N VAL C 500 -20.076 -19.737 -0.969 1.00 0.00 N ATOM 761 CA VAL C 500 -18.923 -20.443 -0.466 1.00 0.00 C ATOM 762 C VAL C 500 -18.421 -21.406 -1.532 1.00 0.00 C ATOM 763 O VAL C 500 -19.009 -22.464 -1.748 1.00 0.00 O ATOM 764 CB VAL C 500 -19.257 -21.233 0.824 1.00 0.00 C ATOM 765 CG1 VAL C 500 -18.034 -21.988 1.324 1.00 0.00 C ATOM 766 CG2 VAL C 500 -19.787 -20.298 1.903 1.00 0.00 C ATOM 0 H VAL C 500 -20.926 -20.299 -1.023 1.00 0.00 H new ATOM 0 HA VAL C 500 -18.154 -19.710 -0.223 1.00 0.00 H new ATOM 0 HB VAL C 500 -20.034 -21.960 0.587 1.00 0.00 H new ATOM 0 HG11 VAL C 500 -18.290 -22.536 2.231 1.00 0.00 H new ATOM 0 HG12 VAL C 500 -17.701 -22.689 0.558 1.00 0.00 H new ATOM 0 HG13 VAL C 500 -17.234 -21.281 1.542 1.00 0.00 H new ATOM 0 HG21 VAL C 500 -20.016 -20.872 2.801 1.00 0.00 H new ATOM 0 HG22 VAL C 500 -19.033 -19.546 2.135 1.00 0.00 H new ATOM 0 HG23 VAL C 500 -20.692 -19.806 1.546 1.00 0.00 H new ATOM 776 N PRO C 501 -17.344 -21.040 -2.239 1.00 0.00 N ATOM 777 CA PRO C 501 -16.773 -21.867 -3.285 1.00 0.00 C ATOM 778 C PRO C 501 -15.866 -22.948 -2.723 1.00 0.00 C ATOM 779 O PRO C 501 -14.833 -22.653 -2.114 1.00 0.00 O ATOM 780 CB PRO C 501 -15.950 -20.873 -4.136 1.00 0.00 C ATOM 781 CG PRO C 501 -16.143 -19.529 -3.495 1.00 0.00 C ATOM 782 CD PRO C 501 -16.612 -19.790 -2.096 1.00 0.00 C ATOM 0 HA PRO C 501 -17.543 -22.392 -3.851 1.00 0.00 H new ATOM 0 HB2 PRO C 501 -14.896 -21.151 -4.152 1.00 0.00 H new ATOM 0 HB3 PRO C 501 -16.294 -20.866 -5.170 1.00 0.00 H new ATOM 0 HG2 PRO C 501 -15.212 -18.963 -3.493 1.00 0.00 H new ATOM 0 HG3 PRO C 501 -16.875 -18.938 -4.046 1.00 0.00 H new ATOM 0 HD2 PRO C 501 -15.779 -19.885 -1.399 1.00 0.00 H new ATOM 0 HD3 PRO C 501 -17.248 -18.987 -1.725 1.00 0.00 H new ATOM 790 N PHE C 502 -16.259 -24.189 -2.908 1.00 0.00 N ATOM 791 CA PHE C 502 -15.458 -25.307 -2.463 1.00 0.00 C ATOM 792 C PHE C 502 -14.436 -25.649 -3.534 1.00 0.00 C ATOM 793 O PHE C 502 -14.666 -25.361 -4.714 1.00 0.00 O ATOM 794 CB PHE C 502 -16.340 -26.521 -2.152 1.00 0.00 C ATOM 795 CG PHE C 502 -17.200 -26.340 -0.935 1.00 0.00 C ATOM 796 CD1 PHE C 502 -18.441 -25.744 -1.034 1.00 0.00 C ATOM 797 CD2 PHE C 502 -16.764 -26.767 0.309 1.00 0.00 C ATOM 798 CE1 PHE C 502 -19.237 -25.574 0.081 1.00 0.00 C ATOM 799 CE2 PHE C 502 -17.554 -26.603 1.428 1.00 0.00 C ATOM 800 CZ PHE C 502 -18.792 -26.004 1.314 1.00 0.00 C ATOM 0 H PHE C 502 -17.132 -24.450 -3.366 1.00 0.00 H new ATOM 0 HA PHE C 502 -14.940 -25.030 -1.545 1.00 0.00 H new ATOM 0 HB2 PHE C 502 -16.979 -26.726 -3.011 1.00 0.00 H new ATOM 0 HB3 PHE C 502 -15.705 -27.395 -2.011 1.00 0.00 H new ATOM 0 HD1 PHE C 502 -18.794 -25.406 -1.997 1.00 0.00 H new ATOM 0 HD2 PHE C 502 -15.795 -27.234 0.404 1.00 0.00 H new ATOM 0 HE1 PHE C 502 -20.206 -25.106 -0.012 1.00 0.00 H new ATOM 0 HE2 PHE C 502 -17.204 -26.943 2.392 1.00 0.00 H new ATOM 0 HZ PHE C 502 -19.412 -25.872 2.189 1.00 0.00 H new ATOM 810 N PRO C 503 -13.286 -26.248 -3.147 1.00 0.00 N ATOM 811 CA PRO C 503 -12.222 -26.610 -4.092 1.00 0.00 C ATOM 812 C PRO C 503 -12.765 -27.328 -5.316 1.00 0.00 C ATOM 813 O PRO C 503 -13.422 -28.369 -5.209 1.00 0.00 O ATOM 814 CB PRO C 503 -11.337 -27.540 -3.271 1.00 0.00 C ATOM 815 CG PRO C 503 -11.501 -27.059 -1.877 1.00 0.00 C ATOM 816 CD PRO C 503 -12.933 -26.613 -1.761 1.00 0.00 C ATOM 0 HA PRO C 503 -11.699 -25.738 -4.485 1.00 0.00 H new ATOM 0 HB2 PRO C 503 -11.648 -28.580 -3.373 1.00 0.00 H new ATOM 0 HB3 PRO C 503 -10.297 -27.486 -3.591 1.00 0.00 H new ATOM 0 HG2 PRO C 503 -11.279 -27.851 -1.162 1.00 0.00 H new ATOM 0 HG3 PRO C 503 -10.817 -26.237 -1.664 1.00 0.00 H new ATOM 0 HD2 PRO C 503 -13.573 -27.408 -1.379 1.00 0.00 H new ATOM 0 HD3 PRO C 503 -13.037 -25.766 -1.083 1.00 0.00 H new ATOM 824 N THR C 504 -12.496 -26.771 -6.470 1.00 0.00 N ATOM 825 CA THR C 504 -12.982 -27.309 -7.707 1.00 0.00 C ATOM 826 C THR C 504 -11.852 -27.375 -8.738 1.00 0.00 C ATOM 827 O THR C 504 -11.446 -28.499 -9.100 1.00 0.00 O ATOM 828 CB THR C 504 -14.207 -26.487 -8.234 1.00 0.00 C ATOM 829 OG1 THR C 504 -14.653 -26.987 -9.503 1.00 0.00 O ATOM 830 CG2 THR C 504 -13.880 -25.000 -8.349 1.00 0.00 C ATOM 831 OXT THR C 504 -11.330 -26.310 -9.134 1.00 0.00 O ATOM 0 H THR C 504 -11.931 -25.928 -6.574 1.00 0.00 H new ATOM 0 HA THR C 504 -13.332 -28.326 -7.532 1.00 0.00 H new ATOM 0 HB THR C 504 -15.009 -26.605 -7.505 1.00 0.00 H new ATOM 0 HG1 THR C 504 -15.419 -26.460 -9.811 1.00 0.00 H new ATOM 0 HG21 THR C 504 -14.754 -24.463 -8.718 1.00 0.00 H new ATOM 0 HG22 THR C 504 -13.602 -24.612 -7.369 1.00 0.00 H new ATOM 0 HG23 THR C 504 -13.050 -24.862 -9.042 1.00 0.00 H new TER 839 THR C 504