USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 782 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 540 ASN : amide:sc= -3.42! K(o=-3.4!,f=-0.46) USER MOD Set 1.2: A 541 THR OG1 : rot 180:sc= -0.007 USER MOD Set 2.1: A 524 GLN : amide:sc= 0 K(o=-1.3,f=-0.18) USER MOD Set 2.2: A 525 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.18) USER MOD Single : A 501 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.211) USER MOD Single : A 503 TYR OH : rot -140:sc= -0.533 USER MOD Single : A 511 HIS : no HD1:sc= -6.13! C(o=-6.1!,f=-8.3!) USER MOD Single : A 515 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 516 THR OG1 : rot -23:sc= 0.202 USER MOD Single : A 521 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 528 ASN : amide:sc= -0.452 K(o=-0.45,f=-4!) USER MOD Single : A 533 THR OG1 : rot 175:sc= -0.149 USER MOD Single : A 535 HIS : no HD1:sc= -3.55 K(o=-3.5,f=-4.4!) USER MOD Single : A 537 HIS : no HD1:sc= -2.58! K(o=-2.6!,f=-1.1) USER MOD Single : A 539 THR OG1 : rot 180:sc= 0.278! USER MOD Single : A 542 THR OG1 : rot 180:sc= -3.56! USER MOD Single : A 548 CYS SG : rot -40:sc=-0.00878 USER MOD Single : A 549 SER OG : rot -156:sc= -2.56! USER MOD Single : A 552 LYS NZ :NH3+ -159:sc= -0.236 (180deg=-1.1) USER MOD Single : A 553 THR OG1 : rot 180:sc= 0 USER MOD Single : A 554 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 LYS NZ :NH3+ -160:sc= -0.0453 (180deg=-0.43) USER MOD Single : A 559 GLN : amide:sc= -7.01! C(o=-7!,f=-1.4!) USER MOD Single : A 560 SER OG : rot -50:sc= 0.564 USER MOD Single : A 561 TYR OH : rot 150:sc= 0 USER MOD Single : A 564 THR OG1 : rot 37:sc= 0.0942 USER MOD Single : A 565 SER OG : rot 180:sc= 0 USER MOD Single : A 567 THR OG1 : rot 180:sc= 0 USER MOD Single : A 568 SER OG : rot -37:sc= 0.0691 USER MOD Single : B 876 THR OG1 : rot -35:sc= -0.0254 USER MOD Single : B 877 ASN : amide:sc= -0.592 K(o=-0.59,f=-0.032) USER MOD Single : B 878 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 882 SER OG : rot 19:sc= 0.444! USER MOD Single : B 887 SER OG : rot -27:sc= 0.197 USER MOD Single : B 892 SER OG : rot 19:sc= 0.533 USER MOD Single : B 899 SER OG : rot 180:sc= 0 USER MOD Single : B 900 THR OG1 : rot -65:sc=-0.00849 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 500 3.567 -19.068 -6.483 1.00 0.00 N ATOM 2 CA ASP A 500 4.576 -19.978 -5.872 1.00 0.00 C ATOM 3 C ASP A 500 4.893 -19.507 -4.458 1.00 0.00 C ATOM 4 O ASP A 500 4.346 -18.509 -3.990 1.00 0.00 O ATOM 5 CB ASP A 500 5.847 -19.970 -6.724 1.00 0.00 C ATOM 6 CG ASP A 500 5.564 -20.580 -8.091 1.00 0.00 C ATOM 7 OD1 ASP A 500 4.788 -21.520 -8.149 1.00 0.00 O ATOM 8 OD2 ASP A 500 6.127 -20.100 -9.061 1.00 0.00 O ATOM 0 HA ASP A 500 4.180 -20.993 -5.829 1.00 0.00 H new ATOM 0 HB2 ASP A 500 6.210 -18.949 -6.841 1.00 0.00 H new ATOM 0 HB3 ASP A 500 6.634 -20.532 -6.222 1.00 0.00 H new ATOM 15 N LYS A 501 5.778 -20.232 -3.782 1.00 0.00 N ATOM 16 CA LYS A 501 6.158 -19.877 -2.419 1.00 0.00 C ATOM 17 C LYS A 501 6.975 -18.589 -2.409 1.00 0.00 C ATOM 18 O LYS A 501 7.250 -18.025 -1.350 1.00 0.00 O ATOM 19 CB LYS A 501 6.977 -21.008 -1.793 1.00 0.00 C ATOM 20 CG LYS A 501 6.224 -22.332 -1.951 1.00 0.00 C ATOM 21 CD LYS A 501 6.999 -23.445 -1.243 1.00 0.00 C ATOM 22 CE LYS A 501 6.302 -24.786 -1.487 1.00 0.00 C ATOM 23 NZ LYS A 501 6.538 -25.220 -2.893 1.00 0.00 N ATOM 0 H LYS A 501 6.242 -21.062 -4.151 1.00 0.00 H new ATOM 0 HA LYS A 501 5.249 -19.722 -1.837 1.00 0.00 H new ATOM 0 HB2 LYS A 501 7.953 -21.073 -2.273 1.00 0.00 H new ATOM 0 HB3 LYS A 501 7.154 -20.802 -0.737 1.00 0.00 H new ATOM 0 HG2 LYS A 501 5.223 -22.246 -1.529 1.00 0.00 H new ATOM 0 HG3 LYS A 501 6.105 -22.572 -3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 501 8.023 -23.482 -1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 501 7.054 -23.241 -0.174 1.00 0.00 H new ATOM 0 HE2 LYS A 501 6.682 -25.537 -0.795 1.00 0.00 H new ATOM 0 HE3 LYS A 501 5.233 -24.692 -1.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 501 6.309 -26.230 -2.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 501 5.934 -24.666 -3.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 501 7.536 -25.067 -3.141 1.00 0.00 H new ATOM 37 N ALA A 502 7.359 -18.130 -3.595 1.00 0.00 N ATOM 38 CA ALA A 502 8.145 -16.908 -3.715 1.00 0.00 C ATOM 39 C ALA A 502 7.246 -15.679 -3.622 1.00 0.00 C ATOM 40 O ALA A 502 7.623 -14.666 -3.034 1.00 0.00 O ATOM 41 CB ALA A 502 8.889 -16.896 -5.052 1.00 0.00 C ATOM 0 H ALA A 502 7.140 -18.583 -4.482 1.00 0.00 H new ATOM 0 HA ALA A 502 8.864 -16.880 -2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 502 9.474 -15.980 -5.135 1.00 0.00 H new ATOM 0 HB2 ALA A 502 9.554 -17.758 -5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 502 8.169 -16.942 -5.869 1.00 0.00 H new ATOM 47 N TYR A 503 6.059 -15.774 -4.211 1.00 0.00 N ATOM 48 CA TYR A 503 5.116 -14.659 -4.192 1.00 0.00 C ATOM 49 C TYR A 503 5.026 -14.068 -2.784 1.00 0.00 C ATOM 50 O TYR A 503 5.344 -12.899 -2.572 1.00 0.00 O ATOM 51 CB TYR A 503 3.729 -15.145 -4.668 1.00 0.00 C ATOM 52 CG TYR A 503 3.033 -14.051 -5.458 1.00 0.00 C ATOM 53 CD1 TYR A 503 2.858 -12.783 -4.890 1.00 0.00 C ATOM 54 CD2 TYR A 503 2.570 -14.304 -6.756 1.00 0.00 C ATOM 55 CE1 TYR A 503 2.224 -11.772 -5.618 1.00 0.00 C ATOM 56 CE2 TYR A 503 1.935 -13.291 -7.483 1.00 0.00 C ATOM 57 CZ TYR A 503 1.762 -12.025 -6.913 1.00 0.00 C ATOM 58 OH TYR A 503 1.135 -11.027 -7.631 1.00 0.00 O ATOM 0 H TYR A 503 5.728 -16.603 -4.704 1.00 0.00 H new ATOM 0 HA TYR A 503 5.467 -13.879 -4.868 1.00 0.00 H new ATOM 0 HB2 TYR A 503 3.840 -16.036 -5.286 1.00 0.00 H new ATOM 0 HB3 TYR A 503 3.120 -15.427 -3.809 1.00 0.00 H new ATOM 0 HD1 TYR A 503 3.213 -12.586 -3.889 1.00 0.00 H new ATOM 0 HD2 TYR A 503 2.703 -15.281 -7.196 1.00 0.00 H new ATOM 0 HE1 TYR A 503 2.091 -10.794 -5.179 1.00 0.00 H new ATOM 0 HE2 TYR A 503 1.579 -13.486 -8.484 1.00 0.00 H new ATOM 0 HH TYR A 503 0.379 -11.406 -8.126 1.00 0.00 H new ATOM 68 N LEU A 504 4.588 -14.881 -1.827 1.00 0.00 N ATOM 69 CA LEU A 504 4.463 -14.419 -0.447 1.00 0.00 C ATOM 70 C LEU A 504 5.692 -13.608 -0.037 1.00 0.00 C ATOM 71 O LEU A 504 5.571 -12.498 0.481 1.00 0.00 O ATOM 72 CB LEU A 504 4.292 -15.620 0.495 1.00 0.00 C ATOM 73 CG LEU A 504 2.845 -16.123 0.442 1.00 0.00 C ATOM 74 CD1 LEU A 504 2.503 -16.567 -0.983 1.00 0.00 C ATOM 75 CD2 LEU A 504 2.685 -17.309 1.398 1.00 0.00 C ATOM 0 H LEU A 504 4.316 -15.852 -1.978 1.00 0.00 H new ATOM 0 HA LEU A 504 3.584 -13.778 -0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 504 4.975 -16.419 0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 504 4.549 -15.333 1.515 1.00 0.00 H new ATOM 0 HG LEU A 504 2.172 -15.319 0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 504 1.474 -16.924 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 504 2.617 -15.724 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 504 3.175 -17.370 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 504 1.657 -17.669 1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 504 3.361 -18.111 1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 504 2.924 -16.993 2.413 1.00 0.00 H new ATOM 87 N ASP A 505 6.868 -14.174 -0.276 1.00 0.00 N ATOM 88 CA ASP A 505 8.115 -13.500 0.070 1.00 0.00 C ATOM 89 C ASP A 505 8.109 -12.062 -0.440 1.00 0.00 C ATOM 90 O ASP A 505 8.412 -11.129 0.303 1.00 0.00 O ATOM 91 CB ASP A 505 9.306 -14.254 -0.530 1.00 0.00 C ATOM 92 CG ASP A 505 10.599 -13.816 0.148 1.00 0.00 C ATOM 93 OD1 ASP A 505 10.557 -12.851 0.894 1.00 0.00 O ATOM 94 OD2 ASP A 505 11.614 -14.452 -0.088 1.00 0.00 O ATOM 0 H ASP A 505 6.986 -15.092 -0.705 1.00 0.00 H new ATOM 0 HA ASP A 505 8.207 -13.487 1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 505 9.167 -15.328 -0.405 1.00 0.00 H new ATOM 0 HB3 ASP A 505 9.365 -14.063 -1.601 1.00 0.00 H new ATOM 99 N GLU A 506 7.763 -11.890 -1.714 1.00 0.00 N ATOM 100 CA GLU A 506 7.722 -10.559 -2.307 1.00 0.00 C ATOM 101 C GLU A 506 6.892 -9.615 -1.445 1.00 0.00 C ATOM 102 O GLU A 506 7.056 -8.399 -1.502 1.00 0.00 O ATOM 103 CB GLU A 506 7.122 -10.627 -3.714 1.00 0.00 C ATOM 104 CG GLU A 506 7.912 -11.625 -4.561 1.00 0.00 C ATOM 105 CD GLU A 506 9.306 -11.076 -4.848 1.00 0.00 C ATOM 106 OE1 GLU A 506 9.419 -10.234 -5.724 1.00 0.00 O ATOM 107 OE2 GLU A 506 10.238 -11.504 -4.188 1.00 0.00 O ATOM 0 H GLU A 506 7.510 -12.648 -2.348 1.00 0.00 H new ATOM 0 HA GLU A 506 8.742 -10.179 -2.367 1.00 0.00 H new ATOM 0 HB2 GLU A 506 6.076 -10.928 -3.660 1.00 0.00 H new ATOM 0 HB3 GLU A 506 7.146 -9.641 -4.179 1.00 0.00 H new ATOM 0 HG2 GLU A 506 7.988 -12.578 -4.038 1.00 0.00 H new ATOM 0 HG3 GLU A 506 7.387 -11.816 -5.497 1.00 0.00 H new ATOM 114 N LEU A 507 6.001 -10.186 -0.640 1.00 0.00 N ATOM 115 CA LEU A 507 5.154 -9.388 0.242 1.00 0.00 C ATOM 116 C LEU A 507 5.870 -9.105 1.562 1.00 0.00 C ATOM 117 O LEU A 507 5.789 -7.998 2.092 1.00 0.00 O ATOM 118 CB LEU A 507 3.839 -10.123 0.514 1.00 0.00 C ATOM 119 CG LEU A 507 3.330 -10.776 -0.774 1.00 0.00 C ATOM 120 CD1 LEU A 507 1.926 -11.332 -0.537 1.00 0.00 C ATOM 121 CD2 LEU A 507 3.279 -9.733 -1.895 1.00 0.00 C ATOM 0 H LEU A 507 5.847 -11.192 -0.580 1.00 0.00 H new ATOM 0 HA LEU A 507 4.940 -8.440 -0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 507 3.989 -10.882 1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 507 3.095 -9.425 0.897 1.00 0.00 H new ATOM 0 HG LEU A 507 4.003 -11.584 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 507 1.560 -11.798 -1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 507 1.958 -12.074 0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 507 1.257 -10.521 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 507 2.916 -10.200 -2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 507 2.606 -8.924 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 507 4.278 -9.331 -2.064 1.00 0.00 H new ATOM 133 N VAL A 508 6.551 -10.113 2.097 1.00 0.00 N ATOM 134 CA VAL A 508 7.257 -9.957 3.367 1.00 0.00 C ATOM 135 C VAL A 508 8.284 -8.829 3.297 1.00 0.00 C ATOM 136 O VAL A 508 8.183 -7.838 4.020 1.00 0.00 O ATOM 137 CB VAL A 508 7.956 -11.262 3.744 1.00 0.00 C ATOM 138 CG1 VAL A 508 8.678 -11.083 5.081 1.00 0.00 C ATOM 139 CG2 VAL A 508 6.916 -12.377 3.874 1.00 0.00 C ATOM 0 H VAL A 508 6.630 -11.039 1.677 1.00 0.00 H new ATOM 0 HA VAL A 508 6.520 -9.704 4.129 1.00 0.00 H new ATOM 0 HB VAL A 508 8.678 -11.525 2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 508 9.178 -12.013 5.352 1.00 0.00 H new ATOM 0 HG12 VAL A 508 9.417 -10.287 4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 508 7.954 -10.821 5.853 1.00 0.00 H new ATOM 0 HG21 VAL A 508 7.413 -13.309 4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 508 6.195 -12.114 4.648 1.00 0.00 H new ATOM 0 HG23 VAL A 508 6.398 -12.504 2.924 1.00 0.00 H new ATOM 149 N GLU A 509 9.276 -8.989 2.423 1.00 0.00 N ATOM 150 CA GLU A 509 10.317 -7.977 2.272 1.00 0.00 C ATOM 151 C GLU A 509 9.689 -6.596 2.143 1.00 0.00 C ATOM 152 O GLU A 509 10.025 -5.679 2.891 1.00 0.00 O ATOM 153 CB GLU A 509 11.161 -8.276 1.030 1.00 0.00 C ATOM 154 CG GLU A 509 12.374 -7.345 0.998 1.00 0.00 C ATOM 155 CD GLU A 509 13.171 -7.571 -0.282 1.00 0.00 C ATOM 156 OE1 GLU A 509 12.557 -7.630 -1.335 1.00 0.00 O ATOM 157 OE2 GLU A 509 14.383 -7.681 -0.191 1.00 0.00 O ATOM 0 H GLU A 509 9.380 -9.801 1.815 1.00 0.00 H new ATOM 0 HA GLU A 509 10.957 -7.998 3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 509 11.488 -9.316 1.042 1.00 0.00 H new ATOM 0 HB3 GLU A 509 10.562 -8.140 0.130 1.00 0.00 H new ATOM 0 HG2 GLU A 509 12.047 -6.307 1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 509 13.006 -7.528 1.867 1.00 0.00 H new ATOM 164 N LEU A 510 8.777 -6.454 1.191 1.00 0.00 N ATOM 165 CA LEU A 510 8.110 -5.178 0.979 1.00 0.00 C ATOM 166 C LEU A 510 7.399 -4.745 2.258 1.00 0.00 C ATOM 167 O LEU A 510 7.609 -3.635 2.747 1.00 0.00 O ATOM 168 CB LEU A 510 7.103 -5.303 -0.180 1.00 0.00 C ATOM 169 CG LEU A 510 7.813 -5.135 -1.540 1.00 0.00 C ATOM 170 CD1 LEU A 510 8.208 -3.664 -1.773 1.00 0.00 C ATOM 171 CD2 LEU A 510 9.070 -6.017 -1.590 1.00 0.00 C ATOM 0 H LEU A 510 8.484 -7.199 0.559 1.00 0.00 H new ATOM 0 HA LEU A 510 8.851 -4.422 0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 510 6.612 -6.275 -0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 510 6.324 -4.548 -0.075 1.00 0.00 H new ATOM 0 HG LEU A 510 7.121 -5.441 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 510 8.707 -3.570 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 510 7.313 -3.041 -1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 510 8.884 -3.339 -0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 510 9.564 -5.892 -2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 510 9.752 -5.724 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 510 8.787 -7.062 -1.461 1.00 0.00 H new ATOM 183 N HIS A 511 6.568 -5.629 2.804 1.00 0.00 N ATOM 184 CA HIS A 511 5.851 -5.322 4.033 1.00 0.00 C ATOM 185 C HIS A 511 6.812 -4.727 5.056 1.00 0.00 C ATOM 186 O HIS A 511 6.626 -3.602 5.522 1.00 0.00 O ATOM 187 CB HIS A 511 5.216 -6.600 4.593 1.00 0.00 C ATOM 188 CG HIS A 511 4.664 -6.335 5.964 1.00 0.00 C ATOM 189 ND1 HIS A 511 3.520 -5.585 6.164 1.00 0.00 N ATOM 190 CD2 HIS A 511 5.093 -6.708 7.213 1.00 0.00 C ATOM 191 CE1 HIS A 511 3.302 -5.526 7.491 1.00 0.00 C ATOM 192 NE2 HIS A 511 4.232 -6.194 8.177 1.00 0.00 N ATOM 0 H HIS A 511 6.377 -6.554 2.418 1.00 0.00 H new ATOM 0 HA HIS A 511 5.066 -4.597 3.820 1.00 0.00 H new ATOM 0 HB2 HIS A 511 4.421 -6.942 3.931 1.00 0.00 H new ATOM 0 HB3 HIS A 511 5.959 -7.397 4.638 1.00 0.00 H new ATOM 0 HD2 HIS A 511 5.967 -7.309 7.417 1.00 0.00 H new ATOM 0 HE1 HIS A 511 2.475 -5.002 7.946 1.00 0.00 H new ATOM 0 HE2 HIS A 511 4.297 -6.304 9.189 1.00 0.00 H new ATOM 201 N ARG A 512 7.846 -5.491 5.392 1.00 0.00 N ATOM 202 CA ARG A 512 8.838 -5.033 6.350 1.00 0.00 C ATOM 203 C ARG A 512 9.307 -3.632 5.974 1.00 0.00 C ATOM 204 O ARG A 512 9.294 -2.716 6.797 1.00 0.00 O ATOM 205 CB ARG A 512 10.024 -6.006 6.358 1.00 0.00 C ATOM 206 CG ARG A 512 11.176 -5.445 7.202 1.00 0.00 C ATOM 207 CD ARG A 512 10.661 -5.029 8.584 1.00 0.00 C ATOM 208 NE ARG A 512 11.768 -4.952 9.531 1.00 0.00 N ATOM 209 CZ ARG A 512 12.240 -6.044 10.124 1.00 0.00 C ATOM 210 NH1 ARG A 512 11.714 -7.209 9.861 1.00 0.00 N ATOM 211 NH2 ARG A 512 13.229 -5.950 10.970 1.00 0.00 N ATOM 0 H ARG A 512 8.016 -6.424 5.016 1.00 0.00 H new ATOM 0 HA ARG A 512 8.398 -4.999 7.346 1.00 0.00 H new ATOM 0 HB2 ARG A 512 9.708 -6.970 6.758 1.00 0.00 H new ATOM 0 HB3 ARG A 512 10.365 -6.181 5.338 1.00 0.00 H new ATOM 0 HG2 ARG A 512 11.959 -6.196 7.308 1.00 0.00 H new ATOM 0 HG3 ARG A 512 11.622 -4.588 6.698 1.00 0.00 H new ATOM 0 HD2 ARG A 512 10.161 -4.063 8.518 1.00 0.00 H new ATOM 0 HD3 ARG A 512 9.921 -5.748 8.936 1.00 0.00 H new ATOM 0 HE ARG A 512 12.186 -4.046 9.741 1.00 0.00 H new ATOM 0 HH11 ARG A 512 10.940 -7.282 9.200 1.00 0.00 H new ATOM 0 HH12 ARG A 512 12.076 -8.047 10.316 1.00 0.00 H new ATOM 0 HH21 ARG A 512 13.639 -5.039 11.176 1.00 0.00 H new ATOM 0 HH22 ARG A 512 13.592 -6.787 11.426 1.00 0.00 H new ATOM 225 N ARG A 513 9.719 -3.478 4.721 1.00 0.00 N ATOM 226 CA ARG A 513 10.190 -2.192 4.227 1.00 0.00 C ATOM 227 C ARG A 513 9.210 -1.076 4.594 1.00 0.00 C ATOM 228 O ARG A 513 9.589 -0.086 5.218 1.00 0.00 O ATOM 229 CB ARG A 513 10.359 -2.261 2.696 1.00 0.00 C ATOM 230 CG ARG A 513 11.425 -1.251 2.223 1.00 0.00 C ATOM 231 CD ARG A 513 12.816 -1.891 2.285 1.00 0.00 C ATOM 232 NE ARG A 513 13.843 -0.898 1.991 1.00 0.00 N ATOM 233 CZ ARG A 513 14.220 -0.009 2.905 1.00 0.00 C ATOM 234 NH1 ARG A 513 13.665 -0.013 4.086 1.00 0.00 N ATOM 235 NH2 ARG A 513 15.143 0.868 2.620 1.00 0.00 N ATOM 0 H ARG A 513 9.736 -4.228 4.030 1.00 0.00 H new ATOM 0 HA ARG A 513 11.150 -1.969 4.692 1.00 0.00 H new ATOM 0 HB2 ARG A 513 10.649 -3.270 2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 513 9.407 -2.048 2.209 1.00 0.00 H new ATOM 0 HG2 ARG A 513 11.208 -0.931 1.204 1.00 0.00 H new ATOM 0 HG3 ARG A 513 11.397 -0.360 2.850 1.00 0.00 H new ATOM 0 HD2 ARG A 513 12.984 -2.316 3.274 1.00 0.00 H new ATOM 0 HD3 ARG A 513 12.879 -2.712 1.570 1.00 0.00 H new ATOM 0 HE ARG A 513 14.279 -0.885 1.069 1.00 0.00 H new ATOM 0 HH11 ARG A 513 12.942 -0.698 4.308 1.00 0.00 H new ATOM 0 HH12 ARG A 513 13.954 0.669 4.788 1.00 0.00 H new ATOM 0 HH21 ARG A 513 15.575 0.872 1.696 1.00 0.00 H new ATOM 0 HH22 ARG A 513 15.432 1.550 3.321 1.00 0.00 H new ATOM 249 N LEU A 514 7.952 -1.245 4.195 1.00 0.00 N ATOM 250 CA LEU A 514 6.927 -0.246 4.478 1.00 0.00 C ATOM 251 C LEU A 514 6.797 0.003 5.975 1.00 0.00 C ATOM 252 O LEU A 514 6.627 1.141 6.415 1.00 0.00 O ATOM 253 CB LEU A 514 5.577 -0.708 3.921 1.00 0.00 C ATOM 254 CG LEU A 514 5.687 -0.942 2.407 1.00 0.00 C ATOM 255 CD1 LEU A 514 4.502 -1.789 1.938 1.00 0.00 C ATOM 256 CD2 LEU A 514 5.680 0.397 1.653 1.00 0.00 C ATOM 0 H LEU A 514 7.620 -2.059 3.678 1.00 0.00 H new ATOM 0 HA LEU A 514 7.226 0.685 3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 514 5.264 -1.626 4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 514 4.813 0.042 4.127 1.00 0.00 H new ATOM 0 HG LEU A 514 6.623 -1.460 2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 514 4.577 -1.957 0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 514 4.512 -2.748 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 514 3.571 -1.267 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 514 5.759 0.212 0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 514 4.751 0.928 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 514 6.525 1.003 1.979 1.00 0.00 H new ATOM 268 N MET A 515 6.851 -1.071 6.752 1.00 0.00 N ATOM 269 CA MET A 515 6.710 -0.964 8.197 1.00 0.00 C ATOM 270 C MET A 515 7.664 0.069 8.784 1.00 0.00 C ATOM 271 O MET A 515 7.292 0.821 9.684 1.00 0.00 O ATOM 272 CB MET A 515 6.965 -2.325 8.847 1.00 0.00 C ATOM 273 CG MET A 515 6.529 -2.281 10.313 1.00 0.00 C ATOM 274 SD MET A 515 6.866 -3.879 11.092 1.00 0.00 S ATOM 275 CE MET A 515 5.954 -3.579 12.626 1.00 0.00 C ATOM 0 H MET A 515 6.991 -2.021 6.408 1.00 0.00 H new ATOM 0 HA MET A 515 5.691 -0.637 8.406 1.00 0.00 H new ATOM 0 HB2 MET A 515 6.415 -3.102 8.316 1.00 0.00 H new ATOM 0 HB3 MET A 515 8.023 -2.580 8.779 1.00 0.00 H new ATOM 0 HG2 MET A 515 7.062 -1.489 10.838 1.00 0.00 H new ATOM 0 HG3 MET A 515 5.466 -2.049 10.380 1.00 0.00 H new ATOM 0 HE1 MET A 515 6.029 -4.455 13.271 1.00 0.00 H new ATOM 0 HE2 MET A 515 6.377 -2.714 13.138 1.00 0.00 H new ATOM 0 HE3 MET A 515 4.906 -3.387 12.395 1.00 0.00 H new ATOM 285 N THR A 516 8.895 0.103 8.283 1.00 0.00 N ATOM 286 CA THR A 516 9.889 1.053 8.782 1.00 0.00 C ATOM 287 C THR A 516 9.915 2.308 7.917 1.00 0.00 C ATOM 288 O THR A 516 10.405 3.354 8.344 1.00 0.00 O ATOM 289 CB THR A 516 11.273 0.403 8.773 1.00 0.00 C ATOM 290 OG1 THR A 516 11.687 0.193 7.431 1.00 0.00 O ATOM 291 CG2 THR A 516 11.215 -0.938 9.507 1.00 0.00 C ATOM 0 H THR A 516 9.228 -0.509 7.539 1.00 0.00 H new ATOM 0 HA THR A 516 9.619 1.333 9.800 1.00 0.00 H new ATOM 0 HB THR A 516 11.985 1.058 9.275 1.00 0.00 H new ATOM 0 HG1 THR A 516 10.900 0.156 6.848 1.00 0.00 H new ATOM 0 HG21 THR A 516 12.202 -1.400 9.500 1.00 0.00 H new ATOM 0 HG22 THR A 516 10.898 -0.775 10.537 1.00 0.00 H new ATOM 0 HG23 THR A 516 10.503 -1.595 9.008 1.00 0.00 H new ATOM 299 N LEU A 517 9.401 2.199 6.699 1.00 0.00 N ATOM 300 CA LEU A 517 9.394 3.337 5.789 1.00 0.00 C ATOM 301 C LEU A 517 8.627 4.511 6.389 1.00 0.00 C ATOM 302 O LEU A 517 7.426 4.416 6.640 1.00 0.00 O ATOM 303 CB LEU A 517 8.759 2.932 4.454 1.00 0.00 C ATOM 304 CG LEU A 517 9.096 3.967 3.360 1.00 0.00 C ATOM 305 CD1 LEU A 517 10.440 3.626 2.699 1.00 0.00 C ATOM 306 CD2 LEU A 517 7.998 3.951 2.291 1.00 0.00 C ATOM 0 H LEU A 517 8.988 1.346 6.322 1.00 0.00 H new ATOM 0 HA LEU A 517 10.425 3.648 5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 517 9.121 1.948 4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 517 7.678 2.853 4.568 1.00 0.00 H new ATOM 0 HG LEU A 517 9.161 4.954 3.818 1.00 0.00 H new ATOM 0 HD11 LEU A 517 10.665 4.364 1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 517 11.228 3.635 3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 517 10.382 2.636 2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 517 8.233 4.681 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 517 7.937 2.958 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 517 7.041 4.203 2.748 1.00 0.00 H new ATOM 318 N ARG A 518 9.327 5.622 6.615 1.00 0.00 N ATOM 319 CA ARG A 518 8.702 6.820 7.185 1.00 0.00 C ATOM 320 C ARG A 518 8.455 7.858 6.092 1.00 0.00 C ATOM 321 O ARG A 518 7.748 8.843 6.306 1.00 0.00 O ATOM 322 CB ARG A 518 9.611 7.413 8.275 1.00 0.00 C ATOM 323 CG ARG A 518 8.789 8.293 9.246 1.00 0.00 C ATOM 324 CD ARG A 518 8.301 7.461 10.440 1.00 0.00 C ATOM 325 NE ARG A 518 7.491 6.335 9.986 1.00 0.00 N ATOM 326 CZ ARG A 518 6.195 6.478 9.723 1.00 0.00 C ATOM 327 NH1 ARG A 518 5.622 7.642 9.871 1.00 0.00 N ATOM 328 NH2 ARG A 518 5.494 5.454 9.317 1.00 0.00 N ATOM 0 H ARG A 518 10.322 5.720 6.414 1.00 0.00 H new ATOM 0 HA ARG A 518 7.745 6.542 7.627 1.00 0.00 H new ATOM 0 HB2 ARG A 518 10.098 6.609 8.827 1.00 0.00 H new ATOM 0 HB3 ARG A 518 10.400 8.008 7.815 1.00 0.00 H new ATOM 0 HG2 ARG A 518 9.400 9.124 9.599 1.00 0.00 H new ATOM 0 HG3 ARG A 518 7.936 8.724 8.722 1.00 0.00 H new ATOM 0 HD2 ARG A 518 9.156 7.095 11.008 1.00 0.00 H new ATOM 0 HD3 ARG A 518 7.716 8.089 11.113 1.00 0.00 H new ATOM 0 HE ARG A 518 7.927 5.421 9.868 1.00 0.00 H new ATOM 0 HH11 ARG A 518 6.168 8.443 10.189 1.00 0.00 H new ATOM 0 HH12 ARG A 518 4.628 7.751 9.669 1.00 0.00 H new ATOM 0 HH21 ARG A 518 5.940 4.544 9.201 1.00 0.00 H new ATOM 0 HH22 ARG A 518 4.500 5.564 9.115 1.00 0.00 H new ATOM 342 N GLU A 519 9.042 7.627 4.921 1.00 0.00 N ATOM 343 CA GLU A 519 8.879 8.546 3.801 1.00 0.00 C ATOM 344 C GLU A 519 7.437 8.532 3.305 1.00 0.00 C ATOM 345 O GLU A 519 7.025 7.617 2.590 1.00 0.00 O ATOM 346 CB GLU A 519 9.817 8.149 2.659 1.00 0.00 C ATOM 347 CG GLU A 519 9.876 9.279 1.631 1.00 0.00 C ATOM 348 CD GLU A 519 10.679 10.448 2.188 1.00 0.00 C ATOM 349 OE1 GLU A 519 11.539 10.209 3.019 1.00 0.00 O ATOM 350 OE2 GLU A 519 10.423 11.568 1.773 1.00 0.00 O ATOM 0 H GLU A 519 9.630 6.817 4.725 1.00 0.00 H new ATOM 0 HA GLU A 519 9.126 9.552 4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 519 10.814 7.945 3.048 1.00 0.00 H new ATOM 0 HB3 GLU A 519 9.465 7.232 2.187 1.00 0.00 H new ATOM 0 HG2 GLU A 519 10.333 8.920 0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 519 8.867 9.607 1.380 1.00 0.00 H new ATOM 357 N ARG A 520 6.675 9.549 3.690 1.00 0.00 N ATOM 358 CA ARG A 520 5.277 9.643 3.284 1.00 0.00 C ATOM 359 C ARG A 520 5.158 9.840 1.775 1.00 0.00 C ATOM 360 O ARG A 520 4.180 9.417 1.160 1.00 0.00 O ATOM 361 CB ARG A 520 4.601 10.808 4.007 1.00 0.00 C ATOM 362 CG ARG A 520 5.472 12.057 3.889 1.00 0.00 C ATOM 363 CD ARG A 520 4.672 13.278 4.340 1.00 0.00 C ATOM 364 NE ARG A 520 5.554 14.424 4.514 1.00 0.00 N ATOM 365 CZ ARG A 520 5.188 15.466 5.254 1.00 0.00 C ATOM 366 NH1 ARG A 520 4.022 15.474 5.840 1.00 0.00 N ATOM 367 NH2 ARG A 520 5.995 16.482 5.392 1.00 0.00 N ATOM 0 H ARG A 520 6.999 10.316 4.279 1.00 0.00 H new ATOM 0 HA ARG A 520 4.782 8.709 3.552 1.00 0.00 H new ATOM 0 HB2 ARG A 520 3.618 10.996 3.576 1.00 0.00 H new ATOM 0 HB3 ARG A 520 4.446 10.558 5.057 1.00 0.00 H new ATOM 0 HG2 ARG A 520 6.367 11.949 4.501 1.00 0.00 H new ATOM 0 HG3 ARG A 520 5.804 12.186 2.859 1.00 0.00 H new ATOM 0 HD2 ARG A 520 3.904 13.510 3.603 1.00 0.00 H new ATOM 0 HD3 ARG A 520 4.159 13.060 5.277 1.00 0.00 H new ATOM 0 HE ARG A 520 6.468 14.427 4.061 1.00 0.00 H new ATOM 0 HH11 ARG A 520 3.391 14.680 5.730 1.00 0.00 H new ATOM 0 HH12 ARG A 520 3.742 16.274 6.408 1.00 0.00 H new ATOM 0 HH21 ARG A 520 6.906 16.476 4.932 1.00 0.00 H new ATOM 0 HH22 ARG A 520 5.715 17.282 5.960 1.00 0.00 H new ATOM 381 N HIS A 521 6.159 10.484 1.183 1.00 0.00 N ATOM 382 CA HIS A 521 6.152 10.733 -0.255 1.00 0.00 C ATOM 383 C HIS A 521 5.736 9.478 -1.016 1.00 0.00 C ATOM 384 O HIS A 521 5.076 9.559 -2.051 1.00 0.00 O ATOM 385 CB HIS A 521 7.543 11.173 -0.718 1.00 0.00 C ATOM 386 CG HIS A 521 7.454 11.747 -2.105 1.00 0.00 C ATOM 387 ND1 HIS A 521 8.064 11.145 -3.194 1.00 0.00 N ATOM 388 CD2 HIS A 521 6.830 12.867 -2.597 1.00 0.00 C ATOM 389 CE1 HIS A 521 7.796 11.898 -4.278 1.00 0.00 C ATOM 390 NE2 HIS A 521 7.048 12.961 -3.968 1.00 0.00 N ATOM 0 H HIS A 521 6.980 10.841 1.672 1.00 0.00 H new ATOM 0 HA HIS A 521 5.433 11.525 -0.462 1.00 0.00 H new ATOM 0 HB2 HIS A 521 7.948 11.916 -0.031 1.00 0.00 H new ATOM 0 HB3 HIS A 521 8.226 10.324 -0.708 1.00 0.00 H new ATOM 0 HD2 HIS A 521 6.257 13.569 -2.009 1.00 0.00 H new ATOM 0 HE1 HIS A 521 8.143 11.671 -5.275 1.00 0.00 H new ATOM 0 HE2 HIS A 521 6.709 13.686 -4.601 1.00 0.00 H new ATOM 399 N ILE A 522 6.129 8.321 -0.493 1.00 0.00 N ATOM 400 CA ILE A 522 5.797 7.045 -1.123 1.00 0.00 C ATOM 401 C ILE A 522 4.438 6.554 -0.652 1.00 0.00 C ATOM 402 O ILE A 522 3.574 6.205 -1.457 1.00 0.00 O ATOM 403 CB ILE A 522 6.860 6.007 -0.767 1.00 0.00 C ATOM 404 CG1 ILE A 522 8.264 6.594 -0.976 1.00 0.00 C ATOM 405 CG2 ILE A 522 6.679 4.777 -1.649 1.00 0.00 C ATOM 406 CD1 ILE A 522 8.352 7.284 -2.341 1.00 0.00 C ATOM 0 H ILE A 522 6.677 8.239 0.364 1.00 0.00 H new ATOM 0 HA ILE A 522 5.765 7.188 -2.203 1.00 0.00 H new ATOM 0 HB ILE A 522 6.750 5.726 0.280 1.00 0.00 H new ATOM 0 HG12 ILE A 522 8.489 7.309 -0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 522 9.010 5.802 -0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 522 7.436 4.034 -1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 522 5.688 4.354 -1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 522 6.784 5.061 -2.696 1.00 0.00 H new ATOM 0 HD11 ILE A 522 9.352 7.696 -2.477 1.00 0.00 H new ATOM 0 HD12 ILE A 522 8.148 6.559 -3.129 1.00 0.00 H new ATOM 0 HD13 ILE A 522 7.619 8.089 -2.390 1.00 0.00 H new ATOM 418 N LEU A 523 4.260 6.531 0.659 1.00 0.00 N ATOM 419 CA LEU A 523 3.002 6.081 1.240 1.00 0.00 C ATOM 420 C LEU A 523 1.832 6.764 0.547 1.00 0.00 C ATOM 421 O LEU A 523 0.725 6.237 0.523 1.00 0.00 O ATOM 422 CB LEU A 523 2.966 6.405 2.734 1.00 0.00 C ATOM 423 CG LEU A 523 4.223 5.856 3.421 1.00 0.00 C ATOM 424 CD1 LEU A 523 4.145 6.148 4.922 1.00 0.00 C ATOM 425 CD2 LEU A 523 4.324 4.337 3.196 1.00 0.00 C ATOM 0 H LEU A 523 4.965 6.816 1.339 1.00 0.00 H new ATOM 0 HA LEU A 523 2.923 5.002 1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 523 2.904 7.484 2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 523 2.075 5.971 3.187 1.00 0.00 H new ATOM 0 HG LEU A 523 5.105 6.337 2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 523 5.036 5.760 5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 523 4.083 7.225 5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 523 3.261 5.668 5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 523 5.219 3.955 3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 523 3.444 3.848 3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 523 4.380 4.130 2.127 1.00 0.00 H new ATOM 437 N GLN A 524 2.071 7.936 -0.016 1.00 0.00 N ATOM 438 CA GLN A 524 1.006 8.655 -0.695 1.00 0.00 C ATOM 439 C GLN A 524 0.670 7.989 -2.026 1.00 0.00 C ATOM 440 O GLN A 524 -0.501 7.786 -2.350 1.00 0.00 O ATOM 441 CB GLN A 524 1.420 10.109 -0.935 1.00 0.00 C ATOM 442 CG GLN A 524 0.250 10.879 -1.547 1.00 0.00 C ATOM 443 CD GLN A 524 0.599 12.360 -1.654 1.00 0.00 C ATOM 444 OE1 GLN A 524 0.962 12.837 -2.730 1.00 0.00 O ATOM 445 NE2 GLN A 524 0.510 13.119 -0.597 1.00 0.00 N ATOM 0 H GLN A 524 2.977 8.404 -0.018 1.00 0.00 H new ATOM 0 HA GLN A 524 0.121 8.634 -0.060 1.00 0.00 H new ATOM 0 HB2 GLN A 524 1.722 10.572 0.005 1.00 0.00 H new ATOM 0 HB3 GLN A 524 2.282 10.147 -1.601 1.00 0.00 H new ATOM 0 HG2 GLN A 524 0.018 10.479 -2.534 1.00 0.00 H new ATOM 0 HG3 GLN A 524 -0.642 10.750 -0.933 1.00 0.00 H new ATOM 0 HE21 GLN A 524 0.209 12.721 0.293 1.00 0.00 H new ATOM 0 HE22 GLN A 524 0.741 14.110 -0.660 1.00 0.00 H new ATOM 454 N GLN A 525 1.701 7.648 -2.791 1.00 0.00 N ATOM 455 CA GLN A 525 1.496 7.002 -4.083 1.00 0.00 C ATOM 456 C GLN A 525 0.859 5.629 -3.903 1.00 0.00 C ATOM 457 O GLN A 525 -0.173 5.325 -4.503 1.00 0.00 O ATOM 458 CB GLN A 525 2.832 6.856 -4.818 1.00 0.00 C ATOM 459 CG GLN A 525 3.650 8.141 -4.665 1.00 0.00 C ATOM 460 CD GLN A 525 2.818 9.345 -5.097 1.00 0.00 C ATOM 461 OE1 GLN A 525 2.405 9.432 -6.253 1.00 0.00 O ATOM 462 NE2 GLN A 525 2.548 10.285 -4.232 1.00 0.00 N ATOM 0 H GLN A 525 2.678 7.806 -2.543 1.00 0.00 H new ATOM 0 HA GLN A 525 0.825 7.626 -4.674 1.00 0.00 H new ATOM 0 HB2 GLN A 525 3.388 6.010 -4.416 1.00 0.00 H new ATOM 0 HB3 GLN A 525 2.656 6.649 -5.874 1.00 0.00 H new ATOM 0 HG2 GLN A 525 3.965 8.260 -3.628 1.00 0.00 H new ATOM 0 HG3 GLN A 525 4.556 8.079 -5.268 1.00 0.00 H new ATOM 0 HE21 GLN A 525 2.891 10.211 -3.274 1.00 0.00 H new ATOM 0 HE22 GLN A 525 1.994 11.094 -4.514 1.00 0.00 H new ATOM 471 N ILE A 526 1.484 4.802 -3.071 1.00 0.00 N ATOM 472 CA ILE A 526 0.981 3.458 -2.814 1.00 0.00 C ATOM 473 C ILE A 526 -0.471 3.506 -2.352 1.00 0.00 C ATOM 474 O ILE A 526 -1.351 2.920 -2.982 1.00 0.00 O ATOM 475 CB ILE A 526 1.847 2.777 -1.751 1.00 0.00 C ATOM 476 CG1 ILE A 526 3.241 2.537 -2.335 1.00 0.00 C ATOM 477 CG2 ILE A 526 1.221 1.439 -1.343 1.00 0.00 C ATOM 478 CD1 ILE A 526 4.205 2.133 -1.223 1.00 0.00 C ATOM 0 H ILE A 526 2.337 5.038 -2.565 1.00 0.00 H new ATOM 0 HA ILE A 526 1.028 2.885 -3.740 1.00 0.00 H new ATOM 0 HB ILE A 526 1.916 3.414 -0.869 1.00 0.00 H new ATOM 0 HG12 ILE A 526 3.198 1.755 -3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 526 3.599 3.440 -2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 526 1.844 0.962 -0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 526 0.225 1.612 -0.936 1.00 0.00 H new ATOM 0 HG23 ILE A 526 1.149 0.790 -2.216 1.00 0.00 H new ATOM 0 HD11 ILE A 526 5.196 1.963 -1.644 1.00 0.00 H new ATOM 0 HD12 ILE A 526 4.258 2.929 -0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 526 3.851 1.218 -0.749 1.00 0.00 H new ATOM 490 N VAL A 527 -0.713 4.187 -1.237 1.00 0.00 N ATOM 491 CA VAL A 527 -2.063 4.280 -0.688 1.00 0.00 C ATOM 492 C VAL A 527 -3.084 4.496 -1.805 1.00 0.00 C ATOM 493 O VAL A 527 -3.968 3.668 -2.020 1.00 0.00 O ATOM 494 CB VAL A 527 -2.136 5.438 0.322 1.00 0.00 C ATOM 495 CG1 VAL A 527 -3.598 5.727 0.690 1.00 0.00 C ATOM 496 CG2 VAL A 527 -1.354 5.073 1.599 1.00 0.00 C ATOM 0 H VAL A 527 0.000 4.679 -0.699 1.00 0.00 H new ATOM 0 HA VAL A 527 -2.299 3.344 -0.181 1.00 0.00 H new ATOM 0 HB VAL A 527 -1.696 6.325 -0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 527 -3.638 6.548 1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 527 -4.152 6.001 -0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 527 -4.044 4.837 1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 527 -1.411 5.898 2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 527 -1.786 4.178 2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 527 -0.311 4.884 1.345 1.00 0.00 H new ATOM 506 N ASN A 528 -2.955 5.617 -2.507 1.00 0.00 N ATOM 507 CA ASN A 528 -3.870 5.941 -3.594 1.00 0.00 C ATOM 508 C ASN A 528 -3.874 4.856 -4.669 1.00 0.00 C ATOM 509 O ASN A 528 -4.826 4.748 -5.443 1.00 0.00 O ATOM 510 CB ASN A 528 -3.468 7.275 -4.225 1.00 0.00 C ATOM 511 CG ASN A 528 -3.554 8.388 -3.187 1.00 0.00 C ATOM 512 OD1 ASN A 528 -3.784 8.121 -2.007 1.00 0.00 O ATOM 513 ND2 ASN A 528 -3.381 9.626 -3.556 1.00 0.00 N ATOM 0 H ASN A 528 -2.228 6.314 -2.343 1.00 0.00 H new ATOM 0 HA ASN A 528 -4.874 6.009 -3.175 1.00 0.00 H new ATOM 0 HB2 ASN A 528 -2.453 7.210 -4.618 1.00 0.00 H new ATOM 0 HB3 ASN A 528 -4.122 7.500 -5.067 1.00 0.00 H new ATOM 0 HD21 ASN A 528 -3.436 10.376 -2.867 1.00 0.00 H new ATOM 0 HD22 ASN A 528 -3.191 9.845 -4.534 1.00 0.00 H new ATOM 520 N LEU A 529 -2.810 4.056 -4.729 1.00 0.00 N ATOM 521 CA LEU A 529 -2.731 3.003 -5.734 1.00 0.00 C ATOM 522 C LEU A 529 -3.750 1.914 -5.426 1.00 0.00 C ATOM 523 O LEU A 529 -4.633 1.633 -6.230 1.00 0.00 O ATOM 524 CB LEU A 529 -1.309 2.420 -5.777 1.00 0.00 C ATOM 525 CG LEU A 529 -1.017 1.775 -7.149 1.00 0.00 C ATOM 526 CD1 LEU A 529 -2.052 0.682 -7.445 1.00 0.00 C ATOM 527 CD2 LEU A 529 -1.040 2.839 -8.269 1.00 0.00 C ATOM 0 H LEU A 529 -2.006 4.116 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 529 -2.959 3.425 -6.713 1.00 0.00 H new ATOM 0 HB2 LEU A 529 -0.583 3.208 -5.580 1.00 0.00 H new ATOM 0 HB3 LEU A 529 -1.193 1.676 -4.989 1.00 0.00 H new ATOM 0 HG LEU A 529 -0.023 1.329 -7.116 1.00 0.00 H new ATOM 0 HD11 LEU A 529 -1.839 0.232 -8.415 1.00 0.00 H new ATOM 0 HD12 LEU A 529 -2.004 -0.084 -6.671 1.00 0.00 H new ATOM 0 HD13 LEU A 529 -3.050 1.120 -7.460 1.00 0.00 H new ATOM 0 HD21 LEU A 529 -0.832 2.363 -9.227 1.00 0.00 H new ATOM 0 HD22 LEU A 529 -2.022 3.310 -8.303 1.00 0.00 H new ATOM 0 HD23 LEU A 529 -0.282 3.596 -8.068 1.00 0.00 H new ATOM 539 N ILE A 530 -3.616 1.297 -4.261 1.00 0.00 N ATOM 540 CA ILE A 530 -4.534 0.235 -3.885 1.00 0.00 C ATOM 541 C ILE A 530 -5.926 0.802 -3.636 1.00 0.00 C ATOM 542 O ILE A 530 -6.931 0.201 -4.009 1.00 0.00 O ATOM 543 CB ILE A 530 -4.005 -0.520 -2.662 1.00 0.00 C ATOM 544 CG1 ILE A 530 -3.816 0.426 -1.467 1.00 0.00 C ATOM 545 CG2 ILE A 530 -2.651 -1.133 -3.016 1.00 0.00 C ATOM 546 CD1 ILE A 530 -3.615 -0.396 -0.191 1.00 0.00 C ATOM 0 H ILE A 530 -2.894 1.509 -3.572 1.00 0.00 H new ATOM 0 HA ILE A 530 -4.608 -0.478 -4.707 1.00 0.00 H new ATOM 0 HB ILE A 530 -4.727 -1.289 -2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 530 -2.955 1.073 -1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 530 -4.686 1.074 -1.361 1.00 0.00 H new ATOM 0 HG21 ILE A 530 -2.260 -1.675 -2.155 1.00 0.00 H new ATOM 0 HG22 ILE A 530 -2.771 -1.821 -3.853 1.00 0.00 H new ATOM 0 HG23 ILE A 530 -1.955 -0.342 -3.293 1.00 0.00 H new ATOM 0 HD11 ILE A 530 -3.481 0.276 0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 530 -4.489 -1.024 -0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 530 -2.731 -1.025 -0.299 1.00 0.00 H new ATOM 558 N GLU A 531 -5.968 1.971 -3.010 1.00 0.00 N ATOM 559 CA GLU A 531 -7.239 2.622 -2.722 1.00 0.00 C ATOM 560 C GLU A 531 -8.139 2.548 -3.956 1.00 0.00 C ATOM 561 O GLU A 531 -9.318 2.209 -3.863 1.00 0.00 O ATOM 562 CB GLU A 531 -7.017 4.085 -2.332 1.00 0.00 C ATOM 563 CG GLU A 531 -8.308 4.663 -1.745 1.00 0.00 C ATOM 564 CD GLU A 531 -8.035 6.036 -1.139 1.00 0.00 C ATOM 565 OE1 GLU A 531 -7.014 6.182 -0.489 1.00 0.00 O ATOM 566 OE2 GLU A 531 -8.853 6.921 -1.333 1.00 0.00 O ATOM 0 H GLU A 531 -5.145 2.484 -2.694 1.00 0.00 H new ATOM 0 HA GLU A 531 -7.717 2.109 -1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 531 -6.210 4.159 -1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 531 -6.712 4.662 -3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 531 -9.067 4.744 -2.523 1.00 0.00 H new ATOM 0 HG3 GLU A 531 -8.703 3.992 -0.983 1.00 0.00 H new ATOM 573 N GLU A 532 -7.559 2.865 -5.111 1.00 0.00 N ATOM 574 CA GLU A 532 -8.297 2.833 -6.369 1.00 0.00 C ATOM 575 C GLU A 532 -8.832 1.420 -6.637 1.00 0.00 C ATOM 576 O GLU A 532 -9.851 1.251 -7.307 1.00 0.00 O ATOM 577 CB GLU A 532 -7.372 3.319 -7.521 1.00 0.00 C ATOM 578 CG GLU A 532 -6.799 2.142 -8.330 1.00 0.00 C ATOM 579 CD GLU A 532 -5.636 2.618 -9.194 1.00 0.00 C ATOM 580 OE1 GLU A 532 -5.445 3.819 -9.283 1.00 0.00 O ATOM 581 OE2 GLU A 532 -4.953 1.774 -9.750 1.00 0.00 O ATOM 0 H GLU A 532 -6.583 3.146 -5.201 1.00 0.00 H new ATOM 0 HA GLU A 532 -9.155 3.502 -6.308 1.00 0.00 H new ATOM 0 HB2 GLU A 532 -7.933 3.977 -8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 532 -6.554 3.907 -7.106 1.00 0.00 H new ATOM 0 HG2 GLU A 532 -6.462 1.356 -7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 532 -7.577 1.710 -8.959 1.00 0.00 H new ATOM 588 N THR A 533 -8.135 0.417 -6.113 1.00 0.00 N ATOM 589 CA THR A 533 -8.547 -0.969 -6.305 1.00 0.00 C ATOM 590 C THR A 533 -9.827 -1.264 -5.528 1.00 0.00 C ATOM 591 O THR A 533 -10.781 -1.816 -6.075 1.00 0.00 O ATOM 592 CB THR A 533 -7.436 -1.919 -5.844 1.00 0.00 C ATOM 593 OG1 THR A 533 -6.183 -1.435 -6.307 1.00 0.00 O ATOM 594 CG2 THR A 533 -7.686 -3.319 -6.407 1.00 0.00 C ATOM 0 H THR A 533 -7.289 0.536 -5.556 1.00 0.00 H new ATOM 0 HA THR A 533 -8.737 -1.124 -7.367 1.00 0.00 H new ATOM 0 HB THR A 533 -7.429 -1.968 -4.755 1.00 0.00 H new ATOM 0 HG1 THR A 533 -5.463 -1.994 -5.946 1.00 0.00 H new ATOM 0 HG21 THR A 533 -6.894 -3.991 -6.077 1.00 0.00 H new ATOM 0 HG22 THR A 533 -8.647 -3.688 -6.050 1.00 0.00 H new ATOM 0 HG23 THR A 533 -7.695 -3.277 -7.496 1.00 0.00 H new ATOM 602 N GLY A 534 -9.843 -0.888 -4.249 1.00 0.00 N ATOM 603 CA GLY A 534 -11.018 -1.108 -3.398 1.00 0.00 C ATOM 604 C GLY A 534 -10.728 -2.131 -2.303 1.00 0.00 C ATOM 605 O GLY A 534 -11.519 -2.294 -1.375 1.00 0.00 O ATOM 0 H GLY A 534 -9.061 -0.432 -3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 534 -11.323 -0.165 -2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 534 -11.852 -1.453 -4.009 1.00 0.00 H new ATOM 609 N HIS A 535 -9.600 -2.828 -2.419 1.00 0.00 N ATOM 610 CA HIS A 535 -9.237 -3.839 -1.429 1.00 0.00 C ATOM 611 C HIS A 535 -8.568 -3.203 -0.211 1.00 0.00 C ATOM 612 O HIS A 535 -7.365 -3.360 -0.003 1.00 0.00 O ATOM 613 CB HIS A 535 -8.293 -4.871 -2.057 1.00 0.00 C ATOM 614 CG HIS A 535 -8.289 -6.129 -1.227 1.00 0.00 C ATOM 615 ND1 HIS A 535 -8.416 -6.103 0.153 1.00 0.00 N ATOM 616 CD2 HIS A 535 -8.171 -7.452 -1.569 1.00 0.00 C ATOM 617 CE1 HIS A 535 -8.370 -7.377 0.587 1.00 0.00 C ATOM 618 NE2 HIS A 535 -8.222 -8.239 -0.421 1.00 0.00 N ATOM 0 H HIS A 535 -8.929 -2.714 -3.179 1.00 0.00 H new ATOM 0 HA HIS A 535 -10.151 -4.333 -1.099 1.00 0.00 H new ATOM 0 HB2 HIS A 535 -8.611 -5.097 -3.075 1.00 0.00 H new ATOM 0 HB3 HIS A 535 -7.284 -4.463 -2.121 1.00 0.00 H new ATOM 0 HD2 HIS A 535 -8.056 -7.827 -2.575 1.00 0.00 H new ATOM 0 HE1 HIS A 535 -8.444 -7.666 1.625 1.00 0.00 H new ATOM 0 HE2 HIS A 535 -8.160 -9.255 -0.363 1.00 0.00 H new ATOM 627 N PHE A 536 -9.350 -2.489 0.590 1.00 0.00 N ATOM 628 CA PHE A 536 -8.815 -1.836 1.784 1.00 0.00 C ATOM 629 C PHE A 536 -9.927 -1.602 2.801 1.00 0.00 C ATOM 630 O PHE A 536 -11.114 -1.669 2.478 1.00 0.00 O ATOM 631 CB PHE A 536 -8.171 -0.499 1.407 1.00 0.00 C ATOM 632 CG PHE A 536 -9.235 0.468 0.938 1.00 0.00 C ATOM 633 CD1 PHE A 536 -10.032 1.139 1.873 1.00 0.00 C ATOM 634 CD2 PHE A 536 -9.422 0.696 -0.431 1.00 0.00 C ATOM 635 CE1 PHE A 536 -11.015 2.037 1.440 1.00 0.00 C ATOM 636 CE2 PHE A 536 -10.406 1.596 -0.862 1.00 0.00 C ATOM 637 CZ PHE A 536 -11.201 2.266 0.073 1.00 0.00 C ATOM 0 H PHE A 536 -10.349 -2.347 0.439 1.00 0.00 H new ATOM 0 HA PHE A 536 -8.060 -2.485 2.227 1.00 0.00 H new ATOM 0 HB2 PHE A 536 -7.643 -0.084 2.266 1.00 0.00 H new ATOM 0 HB3 PHE A 536 -7.432 -0.650 0.620 1.00 0.00 H new ATOM 0 HD1 PHE A 536 -9.889 0.964 2.929 1.00 0.00 H new ATOM 0 HD2 PHE A 536 -8.809 0.179 -1.154 1.00 0.00 H new ATOM 0 HE1 PHE A 536 -11.630 2.553 2.162 1.00 0.00 H new ATOM 0 HE2 PHE A 536 -10.550 1.772 -1.918 1.00 0.00 H new ATOM 0 HZ PHE A 536 -11.958 2.960 -0.260 1.00 0.00 H new ATOM 647 N HIS A 537 -9.517 -1.307 4.034 1.00 0.00 N ATOM 648 CA HIS A 537 -10.451 -1.036 5.124 1.00 0.00 C ATOM 649 C HIS A 537 -9.881 0.048 6.039 1.00 0.00 C ATOM 650 O HIS A 537 -9.052 -0.236 6.904 1.00 0.00 O ATOM 651 CB HIS A 537 -10.694 -2.312 5.932 1.00 0.00 C ATOM 652 CG HIS A 537 -9.372 -2.960 6.248 1.00 0.00 C ATOM 653 ND1 HIS A 537 -8.943 -3.165 7.550 1.00 0.00 N ATOM 654 CD2 HIS A 537 -8.374 -3.448 5.443 1.00 0.00 C ATOM 655 CE1 HIS A 537 -7.735 -3.755 7.490 1.00 0.00 C ATOM 656 NE2 HIS A 537 -7.341 -3.950 6.229 1.00 0.00 N ATOM 0 H HIS A 537 -8.535 -1.250 4.304 1.00 0.00 H new ATOM 0 HA HIS A 537 -11.396 -0.692 4.703 1.00 0.00 H new ATOM 0 HB2 HIS A 537 -11.226 -2.077 6.854 1.00 0.00 H new ATOM 0 HB3 HIS A 537 -11.323 -3.000 5.367 1.00 0.00 H new ATOM 0 HD2 HIS A 537 -8.388 -3.443 4.363 1.00 0.00 H new ATOM 0 HE1 HIS A 537 -7.155 -4.037 8.356 1.00 0.00 H new ATOM 0 HE2 HIS A 537 -6.470 -4.375 5.910 1.00 0.00 H new ATOM 665 N ILE A 538 -10.338 1.287 5.854 1.00 0.00 N ATOM 666 CA ILE A 538 -9.872 2.395 6.687 1.00 0.00 C ATOM 667 C ILE A 538 -10.657 2.422 7.997 1.00 0.00 C ATOM 668 O ILE A 538 -11.883 2.527 7.992 1.00 0.00 O ATOM 669 CB ILE A 538 -10.049 3.732 5.950 1.00 0.00 C ATOM 670 CG1 ILE A 538 -9.501 3.597 4.520 1.00 0.00 C ATOM 671 CG2 ILE A 538 -9.295 4.841 6.702 1.00 0.00 C ATOM 672 CD1 ILE A 538 -9.351 4.978 3.868 1.00 0.00 C ATOM 0 H ILE A 538 -11.022 1.546 5.143 1.00 0.00 H new ATOM 0 HA ILE A 538 -8.813 2.250 6.901 1.00 0.00 H new ATOM 0 HB ILE A 538 -11.107 3.992 5.908 1.00 0.00 H new ATOM 0 HG12 ILE A 538 -8.535 3.092 4.541 1.00 0.00 H new ATOM 0 HG13 ILE A 538 -10.172 2.978 3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 538 -9.422 5.788 6.177 1.00 0.00 H new ATOM 0 HG22 ILE A 538 -9.693 4.930 7.713 1.00 0.00 H new ATOM 0 HG23 ILE A 538 -8.235 4.592 6.750 1.00 0.00 H new ATOM 0 HD11 ILE A 538 -8.962 4.862 2.856 1.00 0.00 H new ATOM 0 HD12 ILE A 538 -10.323 5.469 3.829 1.00 0.00 H new ATOM 0 HD13 ILE A 538 -8.661 5.584 4.455 1.00 0.00 H new ATOM 684 N THR A 539 -9.945 2.317 9.116 1.00 0.00 N ATOM 685 CA THR A 539 -10.589 2.319 10.428 1.00 0.00 C ATOM 686 C THR A 539 -10.866 3.744 10.896 1.00 0.00 C ATOM 687 O THR A 539 -10.884 4.680 10.096 1.00 0.00 O ATOM 688 CB THR A 539 -9.695 1.612 11.447 1.00 0.00 C ATOM 689 OG1 THR A 539 -10.370 1.538 12.695 1.00 0.00 O ATOM 690 CG2 THR A 539 -8.391 2.393 11.616 1.00 0.00 C ATOM 0 H THR A 539 -8.929 2.230 9.142 1.00 0.00 H new ATOM 0 HA THR A 539 -11.538 1.790 10.343 1.00 0.00 H new ATOM 0 HB THR A 539 -9.469 0.606 11.095 1.00 0.00 H new ATOM 0 HG1 THR A 539 -9.799 1.084 13.349 1.00 0.00 H new ATOM 0 HG21 THR A 539 -7.755 1.887 12.343 1.00 0.00 H new ATOM 0 HG22 THR A 539 -7.874 2.449 10.658 1.00 0.00 H new ATOM 0 HG23 THR A 539 -8.613 3.401 11.968 1.00 0.00 H new ATOM 698 N ASN A 540 -11.082 3.902 12.201 1.00 0.00 N ATOM 699 CA ASN A 540 -11.359 5.217 12.773 1.00 0.00 C ATOM 700 C ASN A 540 -10.431 6.268 12.173 1.00 0.00 C ATOM 701 O ASN A 540 -10.866 7.132 11.413 1.00 0.00 O ATOM 702 CB ASN A 540 -11.174 5.177 14.291 1.00 0.00 C ATOM 703 CG ASN A 540 -11.805 6.409 14.928 1.00 0.00 C ATOM 704 OD1 ASN A 540 -12.140 6.395 16.112 1.00 0.00 O ATOM 705 ND2 ASN A 540 -11.988 7.481 14.207 1.00 0.00 N ATOM 0 H ASN A 540 -11.071 3.140 12.878 1.00 0.00 H new ATOM 0 HA ASN A 540 -12.390 5.483 12.540 1.00 0.00 H new ATOM 0 HB2 ASN A 540 -11.630 4.274 14.697 1.00 0.00 H new ATOM 0 HB3 ASN A 540 -10.112 5.135 14.535 1.00 0.00 H new ATOM 0 HD21 ASN A 540 -12.410 8.311 14.625 1.00 0.00 H new ATOM 0 HD22 ASN A 540 -11.709 7.489 13.226 1.00 0.00 H new ATOM 712 N THR A 541 -9.145 6.180 12.511 1.00 0.00 N ATOM 713 CA THR A 541 -8.153 7.120 11.991 1.00 0.00 C ATOM 714 C THR A 541 -6.851 6.391 11.679 1.00 0.00 C ATOM 715 O THR A 541 -5.874 6.491 12.420 1.00 0.00 O ATOM 716 CB THR A 541 -7.888 8.222 13.013 1.00 0.00 C ATOM 717 OG1 THR A 541 -9.127 8.705 13.519 1.00 0.00 O ATOM 718 CG2 THR A 541 -7.123 9.369 12.348 1.00 0.00 C ATOM 0 H THR A 541 -8.767 5.471 13.139 1.00 0.00 H new ATOM 0 HA THR A 541 -8.543 7.565 11.076 1.00 0.00 H new ATOM 0 HB THR A 541 -7.292 7.821 13.832 1.00 0.00 H new ATOM 0 HG1 THR A 541 -8.959 9.412 14.177 1.00 0.00 H new ATOM 0 HG21 THR A 541 -6.935 10.154 13.080 1.00 0.00 H new ATOM 0 HG22 THR A 541 -6.173 8.998 11.963 1.00 0.00 H new ATOM 0 HG23 THR A 541 -7.715 9.773 11.527 1.00 0.00 H new ATOM 726 N THR A 542 -6.856 5.664 10.570 1.00 0.00 N ATOM 727 CA THR A 542 -5.681 4.916 10.138 1.00 0.00 C ATOM 728 C THR A 542 -5.952 4.308 8.764 1.00 0.00 C ATOM 729 O THR A 542 -7.105 4.155 8.365 1.00 0.00 O ATOM 730 CB THR A 542 -5.340 3.813 11.175 1.00 0.00 C ATOM 731 OG1 THR A 542 -6.298 3.851 12.222 1.00 0.00 O ATOM 732 CG2 THR A 542 -3.942 4.040 11.769 1.00 0.00 C ATOM 0 H THR A 542 -7.662 5.576 9.951 1.00 0.00 H new ATOM 0 HA THR A 542 -4.824 5.585 10.066 1.00 0.00 H new ATOM 0 HB THR A 542 -5.357 2.844 10.676 1.00 0.00 H new ATOM 0 HG1 THR A 542 -6.090 3.156 12.881 1.00 0.00 H new ATOM 0 HG21 THR A 542 -3.723 3.256 12.494 1.00 0.00 H new ATOM 0 HG22 THR A 542 -3.199 4.015 10.971 1.00 0.00 H new ATOM 0 HG23 THR A 542 -3.910 5.011 12.264 1.00 0.00 H new ATOM 740 N PHE A 543 -4.887 3.951 8.050 1.00 0.00 N ATOM 741 CA PHE A 543 -5.016 3.347 6.722 1.00 0.00 C ATOM 742 C PHE A 543 -4.342 1.982 6.711 1.00 0.00 C ATOM 743 O PHE A 543 -3.115 1.889 6.680 1.00 0.00 O ATOM 744 CB PHE A 543 -4.362 4.254 5.678 1.00 0.00 C ATOM 745 CG PHE A 543 -4.427 3.595 4.322 1.00 0.00 C ATOM 746 CD1 PHE A 543 -5.595 3.684 3.557 1.00 0.00 C ATOM 747 CD2 PHE A 543 -3.317 2.900 3.827 1.00 0.00 C ATOM 748 CE1 PHE A 543 -5.655 3.080 2.296 1.00 0.00 C ATOM 749 CE2 PHE A 543 -3.375 2.294 2.565 1.00 0.00 C ATOM 750 CZ PHE A 543 -4.545 2.386 1.800 1.00 0.00 C ATOM 0 H PHE A 543 -3.925 4.069 8.367 1.00 0.00 H new ATOM 0 HA PHE A 543 -6.073 3.227 6.483 1.00 0.00 H new ATOM 0 HB2 PHE A 543 -4.870 5.218 5.650 1.00 0.00 H new ATOM 0 HB3 PHE A 543 -3.324 4.449 5.950 1.00 0.00 H new ATOM 0 HD1 PHE A 543 -6.451 4.219 3.940 1.00 0.00 H new ATOM 0 HD2 PHE A 543 -2.416 2.831 4.418 1.00 0.00 H new ATOM 0 HE1 PHE A 543 -6.557 3.149 1.706 1.00 0.00 H new ATOM 0 HE2 PHE A 543 -2.519 1.757 2.183 1.00 0.00 H new ATOM 0 HZ PHE A 543 -4.591 1.921 0.826 1.00 0.00 H new ATOM 760 N ASP A 544 -5.148 0.920 6.750 1.00 0.00 N ATOM 761 CA ASP A 544 -4.618 -0.445 6.758 1.00 0.00 C ATOM 762 C ASP A 544 -4.871 -1.136 5.423 1.00 0.00 C ATOM 763 O ASP A 544 -5.932 -0.979 4.817 1.00 0.00 O ATOM 764 CB ASP A 544 -5.286 -1.250 7.874 1.00 0.00 C ATOM 765 CG ASP A 544 -5.257 -0.460 9.178 1.00 0.00 C ATOM 766 OD1 ASP A 544 -5.721 0.668 9.174 1.00 0.00 O ATOM 767 OD2 ASP A 544 -4.771 -0.994 10.161 1.00 0.00 O ATOM 0 H ASP A 544 -6.166 0.978 6.776 1.00 0.00 H new ATOM 0 HA ASP A 544 -3.542 -0.392 6.927 1.00 0.00 H new ATOM 0 HB2 ASP A 544 -6.316 -1.479 7.601 1.00 0.00 H new ATOM 0 HB3 ASP A 544 -4.771 -2.202 8.005 1.00 0.00 H new ATOM 772 N PHE A 545 -3.886 -1.910 4.975 1.00 0.00 N ATOM 773 CA PHE A 545 -3.998 -2.641 3.715 1.00 0.00 C ATOM 774 C PHE A 545 -3.107 -3.879 3.754 1.00 0.00 C ATOM 775 O PHE A 545 -2.093 -3.886 4.452 1.00 0.00 O ATOM 776 CB PHE A 545 -3.593 -1.743 2.545 1.00 0.00 C ATOM 777 CG PHE A 545 -2.172 -1.267 2.733 1.00 0.00 C ATOM 778 CD1 PHE A 545 -1.883 -0.305 3.706 1.00 0.00 C ATOM 779 CD2 PHE A 545 -1.145 -1.783 1.932 1.00 0.00 C ATOM 780 CE1 PHE A 545 -0.568 0.142 3.881 1.00 0.00 C ATOM 781 CE2 PHE A 545 0.170 -1.336 2.105 1.00 0.00 C ATOM 782 CZ PHE A 545 0.458 -0.373 3.081 1.00 0.00 C ATOM 0 H PHE A 545 -3.002 -2.047 5.465 1.00 0.00 H new ATOM 0 HA PHE A 545 -5.034 -2.950 3.577 1.00 0.00 H new ATOM 0 HB2 PHE A 545 -3.682 -2.291 1.607 1.00 0.00 H new ATOM 0 HB3 PHE A 545 -4.267 -0.889 2.480 1.00 0.00 H new ATOM 0 HD1 PHE A 545 -2.675 0.093 4.323 1.00 0.00 H new ATOM 0 HD2 PHE A 545 -1.368 -2.526 1.181 1.00 0.00 H new ATOM 0 HE1 PHE A 545 -0.345 0.884 4.633 1.00 0.00 H new ATOM 0 HE2 PHE A 545 0.962 -1.733 1.487 1.00 0.00 H new ATOM 0 HZ PHE A 545 1.472 -0.028 3.216 1.00 0.00 H new ATOM 792 N ASP A 546 -3.455 -4.919 2.998 1.00 0.00 N ATOM 793 CA ASP A 546 -2.635 -6.133 2.962 1.00 0.00 C ATOM 794 C ASP A 546 -1.807 -6.151 1.680 1.00 0.00 C ATOM 795 O ASP A 546 -2.249 -5.662 0.642 1.00 0.00 O ATOM 796 CB ASP A 546 -3.534 -7.371 3.010 1.00 0.00 C ATOM 797 CG ASP A 546 -4.406 -7.434 1.763 1.00 0.00 C ATOM 798 OD1 ASP A 546 -5.246 -6.563 1.605 1.00 0.00 O ATOM 799 OD2 ASP A 546 -4.222 -8.353 0.982 1.00 0.00 O ATOM 0 H ASP A 546 -4.287 -4.948 2.409 1.00 0.00 H new ATOM 0 HA ASP A 546 -1.970 -6.142 3.825 1.00 0.00 H new ATOM 0 HB2 ASP A 546 -2.923 -8.271 3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 546 -4.162 -7.340 3.901 1.00 0.00 H new ATOM 804 N LEU A 547 -0.602 -6.708 1.752 1.00 0.00 N ATOM 805 CA LEU A 547 0.271 -6.769 0.584 1.00 0.00 C ATOM 806 C LEU A 547 -0.149 -7.914 -0.334 1.00 0.00 C ATOM 807 O LEU A 547 0.321 -8.020 -1.467 1.00 0.00 O ATOM 808 CB LEU A 547 1.721 -6.991 1.036 1.00 0.00 C ATOM 809 CG LEU A 547 2.337 -5.701 1.613 1.00 0.00 C ATOM 810 CD1 LEU A 547 2.700 -4.721 0.486 1.00 0.00 C ATOM 811 CD2 LEU A 547 1.352 -5.027 2.573 1.00 0.00 C ATOM 0 H LEU A 547 -0.210 -7.120 2.599 1.00 0.00 H new ATOM 0 HA LEU A 547 0.192 -5.828 0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.752 -7.779 1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.318 -7.334 0.191 1.00 0.00 H new ATOM 0 HG LEU A 547 3.244 -5.972 2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 547 3.133 -3.817 0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 547 3.423 -5.188 -0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 547 1.802 -4.462 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 547 1.799 -4.117 2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 547 0.436 -4.776 2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 547 1.119 -5.708 3.392 1.00 0.00 H new ATOM 823 N CYS A 548 -1.030 -8.774 0.170 1.00 0.00 N ATOM 824 CA CYS A 548 -1.505 -9.919 -0.601 1.00 0.00 C ATOM 825 C CYS A 548 -2.691 -9.526 -1.476 1.00 0.00 C ATOM 826 O CYS A 548 -3.149 -10.310 -2.307 1.00 0.00 O ATOM 827 CB CYS A 548 -1.920 -11.044 0.355 1.00 0.00 C ATOM 828 SG CYS A 548 -1.934 -12.618 -0.537 1.00 0.00 S ATOM 0 H CYS A 548 -1.428 -8.700 1.106 1.00 0.00 H new ATOM 0 HA CYS A 548 -0.697 -10.264 -1.247 1.00 0.00 H new ATOM 0 HB2 CYS A 548 -1.227 -11.096 1.195 1.00 0.00 H new ATOM 0 HB3 CYS A 548 -2.908 -10.839 0.768 1.00 0.00 H new ATOM 0 HG CYS A 548 -2.429 -12.439 -1.726 1.00 0.00 H new ATOM 834 N SER A 549 -3.183 -8.305 -1.285 1.00 0.00 N ATOM 835 CA SER A 549 -4.319 -7.813 -2.062 1.00 0.00 C ATOM 836 C SER A 549 -3.847 -7.091 -3.323 1.00 0.00 C ATOM 837 O SER A 549 -4.647 -6.511 -4.058 1.00 0.00 O ATOM 838 CB SER A 549 -5.154 -6.854 -1.211 1.00 0.00 C ATOM 839 OG SER A 549 -4.287 -5.995 -0.483 1.00 0.00 O ATOM 0 H SER A 549 -2.816 -7.641 -0.603 1.00 0.00 H new ATOM 0 HA SER A 549 -4.926 -8.669 -2.357 1.00 0.00 H new ATOM 0 HB2 SER A 549 -5.816 -6.267 -1.848 1.00 0.00 H new ATOM 0 HB3 SER A 549 -5.788 -7.416 -0.525 1.00 0.00 H new ATOM 0 HG SER A 549 -4.750 -5.661 0.313 1.00 0.00 H new ATOM 845 N LEU A 550 -2.538 -7.138 -3.565 1.00 0.00 N ATOM 846 CA LEU A 550 -1.956 -6.495 -4.738 1.00 0.00 C ATOM 847 C LEU A 550 -2.075 -7.403 -5.957 1.00 0.00 C ATOM 848 O LEU A 550 -1.718 -8.579 -5.899 1.00 0.00 O ATOM 849 CB LEU A 550 -0.471 -6.192 -4.497 1.00 0.00 C ATOM 850 CG LEU A 550 -0.279 -5.492 -3.148 1.00 0.00 C ATOM 851 CD1 LEU A 550 1.222 -5.367 -2.850 1.00 0.00 C ATOM 852 CD2 LEU A 550 -0.912 -4.096 -3.195 1.00 0.00 C ATOM 0 H LEU A 550 -1.864 -7.614 -2.965 1.00 0.00 H new ATOM 0 HA LEU A 550 -2.499 -5.567 -4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 550 0.103 -7.118 -4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 550 -0.088 -5.561 -5.299 1.00 0.00 H new ATOM 0 HG LEU A 550 -0.760 -6.077 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 550 1.362 -4.869 -1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 550 1.669 -6.360 -2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 550 1.701 -4.783 -3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 550 -0.773 -3.601 -2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 550 -0.436 -3.507 -3.979 1.00 0.00 H new ATOM 0 HD23 LEU A 550 -1.977 -4.187 -3.406 1.00 0.00 H new ATOM 864 N ASP A 551 -2.559 -6.850 -7.063 1.00 0.00 N ATOM 865 CA ASP A 551 -2.696 -7.629 -8.287 1.00 0.00 C ATOM 866 C ASP A 551 -1.334 -7.805 -8.943 1.00 0.00 C ATOM 867 O ASP A 551 -0.426 -7.002 -8.732 1.00 0.00 O ATOM 868 CB ASP A 551 -3.654 -6.935 -9.258 1.00 0.00 C ATOM 869 CG ASP A 551 -4.146 -7.924 -10.311 1.00 0.00 C ATOM 870 OD1 ASP A 551 -4.800 -8.883 -9.935 1.00 0.00 O ATOM 871 OD2 ASP A 551 -3.858 -7.709 -11.478 1.00 0.00 O ATOM 0 H ASP A 551 -2.860 -5.878 -7.138 1.00 0.00 H new ATOM 0 HA ASP A 551 -3.103 -8.608 -8.034 1.00 0.00 H new ATOM 0 HB2 ASP A 551 -4.502 -6.523 -8.711 1.00 0.00 H new ATOM 0 HB3 ASP A 551 -3.150 -6.098 -9.742 1.00 0.00 H new ATOM 876 N LYS A 552 -1.193 -8.860 -9.729 1.00 0.00 N ATOM 877 CA LYS A 552 0.072 -9.135 -10.397 1.00 0.00 C ATOM 878 C LYS A 552 0.610 -7.880 -11.077 1.00 0.00 C ATOM 879 O LYS A 552 1.741 -7.465 -10.827 1.00 0.00 O ATOM 880 CB LYS A 552 -0.113 -10.249 -11.434 1.00 0.00 C ATOM 881 CG LYS A 552 1.253 -10.855 -11.816 1.00 0.00 C ATOM 882 CD LYS A 552 1.629 -11.979 -10.841 1.00 0.00 C ATOM 883 CE LYS A 552 2.960 -12.601 -11.265 1.00 0.00 C ATOM 884 NZ LYS A 552 2.913 -12.943 -12.715 1.00 0.00 N ATOM 0 H LYS A 552 -1.932 -9.537 -9.920 1.00 0.00 H new ATOM 0 HA LYS A 552 0.793 -9.458 -9.646 1.00 0.00 H new ATOM 0 HB2 LYS A 552 -0.764 -11.026 -11.032 1.00 0.00 H new ATOM 0 HB3 LYS A 552 -0.603 -9.851 -12.322 1.00 0.00 H new ATOM 0 HG2 LYS A 552 1.214 -11.245 -12.833 1.00 0.00 H new ATOM 0 HG3 LYS A 552 2.019 -10.080 -11.801 1.00 0.00 H new ATOM 0 HD2 LYS A 552 1.707 -11.585 -9.828 1.00 0.00 H new ATOM 0 HD3 LYS A 552 0.848 -12.739 -10.828 1.00 0.00 H new ATOM 0 HE2 LYS A 552 3.776 -11.905 -11.072 1.00 0.00 H new ATOM 0 HE3 LYS A 552 3.158 -13.496 -10.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 3.634 -13.662 -12.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 1.972 -13.316 -12.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 3.100 -12.090 -13.279 1.00 0.00 H new ATOM 898 N THR A 553 -0.205 -7.278 -11.935 1.00 0.00 N ATOM 899 CA THR A 553 0.209 -6.071 -12.638 1.00 0.00 C ATOM 900 C THR A 553 0.390 -4.917 -11.658 1.00 0.00 C ATOM 901 O THR A 553 1.106 -3.957 -11.940 1.00 0.00 O ATOM 902 CB THR A 553 -0.831 -5.695 -13.685 1.00 0.00 C ATOM 903 OG1 THR A 553 -0.912 -6.725 -14.662 1.00 0.00 O ATOM 904 CG2 THR A 553 -0.436 -4.378 -14.356 1.00 0.00 C ATOM 0 H THR A 553 -1.146 -7.602 -12.159 1.00 0.00 H new ATOM 0 HA THR A 553 1.162 -6.268 -13.130 1.00 0.00 H new ATOM 0 HB THR A 553 -1.802 -5.574 -13.204 1.00 0.00 H new ATOM 0 HG1 THR A 553 -1.582 -6.485 -15.336 1.00 0.00 H new ATOM 0 HG21 THR A 553 -1.183 -4.113 -15.104 1.00 0.00 H new ATOM 0 HG22 THR A 553 -0.379 -3.590 -13.605 1.00 0.00 H new ATOM 0 HG23 THR A 553 0.535 -4.492 -14.837 1.00 0.00 H new ATOM 912 N THR A 554 -0.263 -5.022 -10.504 1.00 0.00 N ATOM 913 CA THR A 554 -0.170 -3.984 -9.483 1.00 0.00 C ATOM 914 C THR A 554 1.062 -4.196 -8.610 1.00 0.00 C ATOM 915 O THR A 554 1.615 -3.242 -8.065 1.00 0.00 O ATOM 916 CB THR A 554 -1.429 -3.997 -8.610 1.00 0.00 C ATOM 917 OG1 THR A 554 -2.551 -3.621 -9.398 1.00 0.00 O ATOM 918 CG2 THR A 554 -1.269 -3.014 -7.447 1.00 0.00 C ATOM 0 H THR A 554 -0.859 -5.811 -10.254 1.00 0.00 H new ATOM 0 HA THR A 554 -0.083 -3.018 -9.981 1.00 0.00 H new ATOM 0 HB THR A 554 -1.579 -5.000 -8.210 1.00 0.00 H new ATOM 0 HG1 THR A 554 -3.358 -3.630 -8.843 1.00 0.00 H new ATOM 0 HG21 THR A 554 -2.168 -3.029 -6.831 1.00 0.00 H new ATOM 0 HG22 THR A 554 -0.410 -3.303 -6.842 1.00 0.00 H new ATOM 0 HG23 THR A 554 -1.115 -2.009 -7.839 1.00 0.00 H new ATOM 926 N VAL A 555 1.495 -5.448 -8.483 1.00 0.00 N ATOM 927 CA VAL A 555 2.668 -5.757 -7.673 1.00 0.00 C ATOM 928 C VAL A 555 3.911 -5.117 -8.289 1.00 0.00 C ATOM 929 O VAL A 555 4.772 -4.598 -7.579 1.00 0.00 O ATOM 930 CB VAL A 555 2.844 -7.282 -7.569 1.00 0.00 C ATOM 931 CG1 VAL A 555 4.246 -7.624 -7.042 1.00 0.00 C ATOM 932 CG2 VAL A 555 1.796 -7.852 -6.606 1.00 0.00 C ATOM 0 H VAL A 555 1.057 -6.256 -8.925 1.00 0.00 H new ATOM 0 HA VAL A 555 2.529 -5.352 -6.671 1.00 0.00 H new ATOM 0 HB VAL A 555 2.718 -7.717 -8.560 1.00 0.00 H new ATOM 0 HG11 VAL A 555 4.355 -8.706 -6.974 1.00 0.00 H new ATOM 0 HG12 VAL A 555 4.998 -7.226 -7.723 1.00 0.00 H new ATOM 0 HG13 VAL A 555 4.381 -7.183 -6.054 1.00 0.00 H new ATOM 0 HG21 VAL A 555 1.920 -8.932 -6.532 1.00 0.00 H new ATOM 0 HG22 VAL A 555 1.925 -7.403 -5.621 1.00 0.00 H new ATOM 0 HG23 VAL A 555 0.797 -7.626 -6.980 1.00 0.00 H new ATOM 942 N ARG A 556 3.988 -5.151 -9.615 1.00 0.00 N ATOM 943 CA ARG A 556 5.121 -4.564 -10.319 1.00 0.00 C ATOM 944 C ARG A 556 5.115 -3.048 -10.152 1.00 0.00 C ATOM 945 O ARG A 556 6.169 -2.413 -10.115 1.00 0.00 O ATOM 946 CB ARG A 556 5.052 -4.926 -11.809 1.00 0.00 C ATOM 947 CG ARG A 556 5.477 -6.393 -12.022 1.00 0.00 C ATOM 948 CD ARG A 556 6.997 -6.487 -12.202 1.00 0.00 C ATOM 949 NE ARG A 556 7.443 -7.861 -12.002 1.00 0.00 N ATOM 950 CZ ARG A 556 7.528 -8.386 -10.784 1.00 0.00 C ATOM 951 NH1 ARG A 556 7.212 -7.669 -9.739 1.00 0.00 N ATOM 952 NH2 ARG A 556 7.927 -9.619 -10.631 1.00 0.00 N ATOM 0 H ARG A 556 3.285 -5.576 -10.220 1.00 0.00 H new ATOM 0 HA ARG A 556 6.044 -4.961 -9.897 1.00 0.00 H new ATOM 0 HB2 ARG A 556 4.038 -4.776 -12.180 1.00 0.00 H new ATOM 0 HB3 ARG A 556 5.702 -4.265 -12.382 1.00 0.00 H new ATOM 0 HG2 ARG A 556 5.167 -6.996 -11.168 1.00 0.00 H new ATOM 0 HG3 ARG A 556 4.974 -6.800 -12.899 1.00 0.00 H new ATOM 0 HD2 ARG A 556 7.274 -6.149 -13.200 1.00 0.00 H new ATOM 0 HD3 ARG A 556 7.496 -5.828 -11.492 1.00 0.00 H new ATOM 0 HE ARG A 556 7.694 -8.429 -12.811 1.00 0.00 H new ATOM 0 HH11 ARG A 556 6.900 -6.705 -9.857 1.00 0.00 H new ATOM 0 HH12 ARG A 556 7.278 -8.073 -8.805 1.00 0.00 H new ATOM 0 HH21 ARG A 556 8.174 -10.180 -11.446 1.00 0.00 H new ATOM 0 HH22 ARG A 556 7.992 -10.022 -9.696 1.00 0.00 H new ATOM 966 N LYS A 557 3.919 -2.476 -10.045 1.00 0.00 N ATOM 967 CA LYS A 557 3.782 -1.035 -9.873 1.00 0.00 C ATOM 968 C LYS A 557 4.006 -0.656 -8.414 1.00 0.00 C ATOM 969 O LYS A 557 4.373 0.477 -8.101 1.00 0.00 O ATOM 970 CB LYS A 557 2.387 -0.586 -10.311 1.00 0.00 C ATOM 971 CG LYS A 557 2.210 -0.853 -11.808 1.00 0.00 C ATOM 972 CD LYS A 557 0.819 -0.394 -12.249 1.00 0.00 C ATOM 973 CE LYS A 557 0.669 -0.596 -13.758 1.00 0.00 C ATOM 974 NZ LYS A 557 1.579 0.338 -14.479 1.00 0.00 N ATOM 0 H LYS A 557 3.036 -2.986 -10.074 1.00 0.00 H new ATOM 0 HA LYS A 557 4.530 -0.537 -10.490 1.00 0.00 H new ATOM 0 HB2 LYS A 557 1.626 -1.121 -9.743 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.253 0.475 -10.102 1.00 0.00 H new ATOM 0 HG2 LYS A 557 2.976 -0.324 -12.375 1.00 0.00 H new ATOM 0 HG3 LYS A 557 2.337 -1.915 -12.016 1.00 0.00 H new ATOM 0 HD2 LYS A 557 0.053 -0.959 -11.718 1.00 0.00 H new ATOM 0 HD3 LYS A 557 0.674 0.656 -11.996 1.00 0.00 H new ATOM 0 HE2 LYS A 557 0.905 -1.627 -14.023 1.00 0.00 H new ATOM 0 HE3 LYS A 557 -0.364 -0.418 -14.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 1.253 0.453 -15.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 1.576 1.262 -14.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 2.545 -0.048 -14.479 1.00 0.00 H new ATOM 988 N LEU A 558 3.779 -1.620 -7.526 1.00 0.00 N ATOM 989 CA LEU A 558 3.950 -1.396 -6.096 1.00 0.00 C ATOM 990 C LEU A 558 5.437 -1.364 -5.738 1.00 0.00 C ATOM 991 O LEU A 558 5.910 -0.438 -5.080 1.00 0.00 O ATOM 992 CB LEU A 558 3.243 -2.522 -5.314 1.00 0.00 C ATOM 993 CG LEU A 558 2.742 -2.014 -3.949 1.00 0.00 C ATOM 994 CD1 LEU A 558 3.902 -1.364 -3.182 1.00 0.00 C ATOM 995 CD2 LEU A 558 1.592 -0.997 -4.134 1.00 0.00 C ATOM 0 H LEU A 558 3.477 -2.562 -7.772 1.00 0.00 H new ATOM 0 HA LEU A 558 3.509 -0.436 -5.829 1.00 0.00 H new ATOM 0 HB2 LEU A 558 2.403 -2.902 -5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 558 3.931 -3.355 -5.166 1.00 0.00 H new ATOM 0 HG LEU A 558 2.362 -2.861 -3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 558 3.544 -1.006 -2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 558 4.692 -2.099 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 558 4.294 -0.526 -3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 558 1.252 -0.650 -3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 558 1.948 -0.148 -4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 558 0.764 -1.475 -4.657 1.00 0.00 H new ATOM 1007 N GLN A 559 6.157 -2.395 -6.170 1.00 0.00 N ATOM 1008 CA GLN A 559 7.583 -2.495 -5.888 1.00 0.00 C ATOM 1009 C GLN A 559 8.365 -1.390 -6.591 1.00 0.00 C ATOM 1010 O GLN A 559 9.447 -1.006 -6.146 1.00 0.00 O ATOM 1011 CB GLN A 559 8.104 -3.862 -6.336 1.00 0.00 C ATOM 1012 CG GLN A 559 7.303 -4.967 -5.641 1.00 0.00 C ATOM 1013 CD GLN A 559 7.608 -6.317 -6.283 1.00 0.00 C ATOM 1014 OE1 GLN A 559 7.806 -7.307 -5.579 1.00 0.00 O ATOM 1015 NE2 GLN A 559 7.658 -6.414 -7.583 1.00 0.00 N ATOM 0 H GLN A 559 5.777 -3.170 -6.714 1.00 0.00 H new ATOM 0 HA GLN A 559 7.725 -2.381 -4.813 1.00 0.00 H new ATOM 0 HB2 GLN A 559 8.016 -3.960 -7.418 1.00 0.00 H new ATOM 0 HB3 GLN A 559 9.162 -3.957 -6.093 1.00 0.00 H new ATOM 0 HG2 GLN A 559 7.552 -4.995 -4.580 1.00 0.00 H new ATOM 0 HG3 GLN A 559 6.236 -4.754 -5.713 1.00 0.00 H new ATOM 0 HE21 GLN A 559 7.493 -5.591 -8.163 1.00 0.00 H new ATOM 0 HE22 GLN A 559 7.862 -7.313 -8.020 1.00 0.00 H new ATOM 1024 N SER A 560 7.816 -0.876 -7.686 1.00 0.00 N ATOM 1025 CA SER A 560 8.481 0.192 -8.426 1.00 0.00 C ATOM 1026 C SER A 560 8.576 1.456 -7.572 1.00 0.00 C ATOM 1027 O SER A 560 9.644 2.060 -7.463 1.00 0.00 O ATOM 1028 CB SER A 560 7.711 0.496 -9.711 1.00 0.00 C ATOM 1029 OG SER A 560 6.491 1.148 -9.383 1.00 0.00 O ATOM 0 H SER A 560 6.923 -1.176 -8.078 1.00 0.00 H new ATOM 0 HA SER A 560 9.489 -0.138 -8.679 1.00 0.00 H new ATOM 0 HB2 SER A 560 8.310 1.128 -10.367 1.00 0.00 H new ATOM 0 HB3 SER A 560 7.509 -0.427 -10.255 1.00 0.00 H new ATOM 0 HG SER A 560 6.029 0.643 -8.681 1.00 0.00 H new ATOM 1035 N TYR A 561 7.457 1.857 -6.977 1.00 0.00 N ATOM 1036 CA TYR A 561 7.435 3.059 -6.145 1.00 0.00 C ATOM 1037 C TYR A 561 8.589 3.056 -5.145 1.00 0.00 C ATOM 1038 O TYR A 561 9.068 4.113 -4.735 1.00 0.00 O ATOM 1039 CB TYR A 561 6.107 3.144 -5.374 1.00 0.00 C ATOM 1040 CG TYR A 561 5.007 3.649 -6.282 1.00 0.00 C ATOM 1041 CD1 TYR A 561 5.081 4.942 -6.816 1.00 0.00 C ATOM 1042 CD2 TYR A 561 3.911 2.830 -6.583 1.00 0.00 C ATOM 1043 CE1 TYR A 561 4.064 5.413 -7.650 1.00 0.00 C ATOM 1044 CE2 TYR A 561 2.894 3.301 -7.417 1.00 0.00 C ATOM 1045 CZ TYR A 561 2.969 4.593 -7.950 1.00 0.00 C ATOM 1046 OH TYR A 561 1.964 5.059 -8.774 1.00 0.00 O ATOM 0 H TYR A 561 6.562 1.374 -7.053 1.00 0.00 H new ATOM 0 HA TYR A 561 7.539 3.921 -6.804 1.00 0.00 H new ATOM 0 HB2 TYR A 561 5.842 2.162 -4.982 1.00 0.00 H new ATOM 0 HB3 TYR A 561 6.217 3.810 -4.518 1.00 0.00 H new ATOM 0 HD1 TYR A 561 5.925 5.575 -6.583 1.00 0.00 H new ATOM 0 HD2 TYR A 561 3.852 1.834 -6.170 1.00 0.00 H new ATOM 0 HE1 TYR A 561 4.122 6.409 -8.063 1.00 0.00 H new ATOM 0 HE2 TYR A 561 2.050 2.668 -7.650 1.00 0.00 H new ATOM 0 HH TYR A 561 1.565 4.308 -9.261 1.00 0.00 H new ATOM 1056 N LEU A 562 9.034 1.863 -4.756 1.00 0.00 N ATOM 1057 CA LEU A 562 10.138 1.735 -3.803 1.00 0.00 C ATOM 1058 C LEU A 562 11.463 1.571 -4.543 1.00 0.00 C ATOM 1059 O LEU A 562 12.536 1.680 -3.949 1.00 0.00 O ATOM 1060 CB LEU A 562 9.897 0.525 -2.892 1.00 0.00 C ATOM 1061 CG LEU A 562 8.814 0.858 -1.842 1.00 0.00 C ATOM 1062 CD1 LEU A 562 8.125 -0.429 -1.381 1.00 0.00 C ATOM 1063 CD2 LEU A 562 9.448 1.544 -0.622 1.00 0.00 C ATOM 0 H LEU A 562 8.651 0.976 -5.082 1.00 0.00 H new ATOM 0 HA LEU A 562 10.186 2.640 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 562 9.585 -0.332 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 562 10.825 0.245 -2.393 1.00 0.00 H new ATOM 0 HG LEU A 562 8.085 1.528 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 562 7.362 -0.188 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 562 7.659 -0.919 -2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 562 8.863 -1.098 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 562 8.673 1.773 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 562 10.186 0.879 -0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 562 9.935 2.467 -0.936 1.00 0.00 H new ATOM 1075 N GLU A 563 11.377 1.313 -5.847 1.00 0.00 N ATOM 1076 CA GLU A 563 12.568 1.135 -6.673 1.00 0.00 C ATOM 1077 C GLU A 563 12.290 1.572 -8.108 1.00 0.00 C ATOM 1078 O GLU A 563 12.404 0.777 -9.040 1.00 0.00 O ATOM 1079 CB GLU A 563 12.998 -0.333 -6.664 1.00 0.00 C ATOM 1080 CG GLU A 563 13.311 -0.771 -5.233 1.00 0.00 C ATOM 1081 CD GLU A 563 14.029 -2.117 -5.244 1.00 0.00 C ATOM 1082 OE1 GLU A 563 14.933 -2.275 -6.049 1.00 0.00 O ATOM 1083 OE2 GLU A 563 13.664 -2.968 -4.452 1.00 0.00 O ATOM 0 H GLU A 563 10.496 1.223 -6.353 1.00 0.00 H new ATOM 0 HA GLU A 563 13.368 1.750 -6.261 1.00 0.00 H new ATOM 0 HB2 GLU A 563 12.206 -0.956 -7.080 1.00 0.00 H new ATOM 0 HB3 GLU A 563 13.876 -0.468 -7.296 1.00 0.00 H new ATOM 0 HG2 GLU A 563 13.933 -0.022 -4.743 1.00 0.00 H new ATOM 0 HG3 GLU A 563 12.389 -0.846 -4.657 1.00 0.00 H new ATOM 1090 N THR A 564 11.922 2.837 -8.276 1.00 0.00 N ATOM 1091 CA THR A 564 11.627 3.369 -9.603 1.00 0.00 C ATOM 1092 C THR A 564 12.861 3.298 -10.499 1.00 0.00 C ATOM 1093 O THR A 564 13.932 3.784 -10.135 1.00 0.00 O ATOM 1094 CB THR A 564 11.157 4.820 -9.494 1.00 0.00 C ATOM 1095 OG1 THR A 564 12.083 5.558 -8.709 1.00 0.00 O ATOM 1096 CG2 THR A 564 9.777 4.863 -8.835 1.00 0.00 C ATOM 0 H THR A 564 11.821 3.510 -7.516 1.00 0.00 H new ATOM 0 HA THR A 564 10.836 2.764 -10.046 1.00 0.00 H new ATOM 0 HB THR A 564 11.095 5.258 -10.490 1.00 0.00 H new ATOM 0 HG1 THR A 564 12.992 5.243 -8.894 1.00 0.00 H new ATOM 0 HG21 THR A 564 9.443 5.898 -8.758 1.00 0.00 H new ATOM 0 HG22 THR A 564 9.068 4.297 -9.439 1.00 0.00 H new ATOM 0 HG23 THR A 564 9.836 4.425 -7.838 1.00 0.00 H new ATOM 1104 N SER A 565 12.701 2.691 -11.670 1.00 0.00 N ATOM 1105 CA SER A 565 13.808 2.563 -12.613 1.00 0.00 C ATOM 1106 C SER A 565 14.016 3.869 -13.373 1.00 0.00 C ATOM 1107 O SER A 565 13.073 4.629 -13.593 1.00 0.00 O ATOM 1108 CB SER A 565 13.521 1.435 -13.605 1.00 0.00 C ATOM 1109 OG SER A 565 12.484 1.841 -14.490 1.00 0.00 O ATOM 0 H SER A 565 11.822 2.282 -11.988 1.00 0.00 H new ATOM 0 HA SER A 565 14.714 2.332 -12.052 1.00 0.00 H new ATOM 0 HB2 SER A 565 14.422 1.193 -14.169 1.00 0.00 H new ATOM 0 HB3 SER A 565 13.226 0.532 -13.071 1.00 0.00 H new ATOM 0 HG SER A 565 12.298 1.121 -15.129 1.00 0.00 H new ATOM 1115 N GLY A 566 15.256 4.123 -13.775 1.00 0.00 N ATOM 1116 CA GLY A 566 15.578 5.340 -14.512 1.00 0.00 C ATOM 1117 C GLY A 566 17.000 5.288 -15.057 1.00 0.00 C ATOM 1118 O GLY A 566 17.948 5.696 -14.385 1.00 0.00 O ATOM 0 H GLY A 566 16.051 3.507 -13.605 1.00 0.00 H new ATOM 0 HA2 GLY A 566 14.874 5.469 -15.334 1.00 0.00 H new ATOM 0 HA3 GLY A 566 15.466 6.205 -13.859 1.00 0.00 H new ATOM 1122 N THR A 567 17.142 4.785 -16.278 1.00 0.00 N ATOM 1123 CA THR A 567 18.456 4.684 -16.905 1.00 0.00 C ATOM 1124 C THR A 567 19.096 6.063 -17.029 1.00 0.00 C ATOM 1125 O THR A 567 20.250 6.187 -17.443 1.00 0.00 O ATOM 1126 CB THR A 567 18.325 4.053 -18.293 1.00 0.00 C ATOM 1127 OG1 THR A 567 17.491 4.867 -19.105 1.00 0.00 O ATOM 1128 CG2 THR A 567 17.712 2.658 -18.167 1.00 0.00 C ATOM 0 H THR A 567 16.370 4.443 -16.850 1.00 0.00 H new ATOM 0 HA THR A 567 19.090 4.056 -16.279 1.00 0.00 H new ATOM 0 HB THR A 567 19.312 3.973 -18.750 1.00 0.00 H new ATOM 0 HG1 THR A 567 17.408 4.465 -19.995 1.00 0.00 H new ATOM 0 HG21 THR A 567 17.620 2.210 -19.157 1.00 0.00 H new ATOM 0 HG22 THR A 567 18.353 2.034 -17.545 1.00 0.00 H new ATOM 0 HG23 THR A 567 16.726 2.734 -17.710 1.00 0.00 H new ATOM 1136 N SER A 568 18.342 7.095 -16.669 1.00 0.00 N ATOM 1137 CA SER A 568 18.846 8.461 -16.743 1.00 0.00 C ATOM 1138 C SER A 568 19.238 8.810 -18.174 1.00 0.00 C ATOM 1139 O SER A 568 19.380 7.896 -18.970 1.00 0.00 O ATOM 1140 CB SER A 568 20.059 8.621 -15.826 1.00 0.00 C ATOM 1141 OG SER A 568 20.331 10.004 -15.643 1.00 0.00 O ATOM 1142 OXT SER A 568 19.389 9.988 -18.457 1.00 0.00 O ATOM 0 H SER A 568 17.385 7.013 -16.325 1.00 0.00 H new ATOM 0 HA SER A 568 18.055 9.138 -16.419 1.00 0.00 H new ATOM 0 HB2 SER A 568 19.867 8.146 -14.864 1.00 0.00 H new ATOM 0 HB3 SER A 568 20.926 8.123 -16.260 1.00 0.00 H new ATOM 0 HG SER A 568 20.161 10.484 -16.480 1.00 0.00 H new TER 1148 SER A 568 ATOM 1149 N THR B 876 1.310 -14.220 8.460 1.00 0.00 N ATOM 1150 CA THR B 876 0.757 -15.406 7.746 1.00 0.00 C ATOM 1151 C THR B 876 0.370 -15.007 6.326 1.00 0.00 C ATOM 1152 O THR B 876 1.065 -14.220 5.681 1.00 0.00 O ATOM 1153 CB THR B 876 -0.472 -15.923 8.498 1.00 0.00 C ATOM 1154 OG1 THR B 876 -1.498 -14.942 8.453 1.00 0.00 O ATOM 1155 CG2 THR B 876 -0.100 -16.210 9.953 1.00 0.00 C ATOM 0 HA THR B 876 1.508 -16.194 7.703 1.00 0.00 H new ATOM 0 HB THR B 876 -0.826 -16.842 8.030 1.00 0.00 H new ATOM 0 HG1 THR B 876 -1.098 -14.048 8.493 1.00 0.00 H new ATOM 0 HG21 THR B 876 -0.976 -16.578 10.487 1.00 0.00 H new ATOM 0 HG22 THR B 876 0.687 -16.963 9.985 1.00 0.00 H new ATOM 0 HG23 THR B 876 0.254 -15.294 10.425 1.00 0.00 H new ATOM 1165 N ASN B 877 -0.742 -15.551 5.843 1.00 0.00 N ATOM 1166 CA ASN B 877 -1.210 -15.244 4.496 1.00 0.00 C ATOM 1167 C ASN B 877 -1.798 -13.838 4.444 1.00 0.00 C ATOM 1168 O ASN B 877 -2.796 -13.594 3.767 1.00 0.00 O ATOM 1169 CB ASN B 877 -2.267 -16.261 4.061 1.00 0.00 C ATOM 1170 CG ASN B 877 -1.794 -17.675 4.385 1.00 0.00 C ATOM 1171 OD1 ASN B 877 -2.602 -18.540 4.717 1.00 0.00 O ATOM 1172 ND2 ASN B 877 -0.522 -17.961 4.304 1.00 0.00 N ATOM 0 H ASN B 877 -1.333 -16.202 6.360 1.00 0.00 H new ATOM 0 HA ASN B 877 -0.360 -15.297 3.816 1.00 0.00 H new ATOM 0 HB2 ASN B 877 -3.210 -16.058 4.569 1.00 0.00 H new ATOM 0 HB3 ASN B 877 -2.455 -16.168 2.991 1.00 0.00 H new ATOM 0 HD21 ASN B 877 -0.197 -18.904 4.516 1.00 0.00 H new ATOM 0 HD22 ASN B 877 0.146 -17.241 4.028 1.00 0.00 H new ATOM 1179 N LYS B 878 -1.167 -12.917 5.165 1.00 0.00 N ATOM 1180 CA LYS B 878 -1.624 -11.535 5.200 1.00 0.00 C ATOM 1181 C LYS B 878 -0.584 -10.654 5.887 1.00 0.00 C ATOM 1182 O LYS B 878 0.109 -11.096 6.804 1.00 0.00 O ATOM 1183 CB LYS B 878 -2.954 -11.441 5.952 1.00 0.00 C ATOM 1184 CG LYS B 878 -3.591 -10.073 5.699 1.00 0.00 C ATOM 1185 CD LYS B 878 -4.731 -9.845 6.694 1.00 0.00 C ATOM 1186 CE LYS B 878 -5.271 -8.424 6.532 1.00 0.00 C ATOM 1187 NZ LYS B 878 -6.190 -8.108 7.663 1.00 0.00 N ATOM 0 H LYS B 878 -0.339 -13.103 5.731 1.00 0.00 H new ATOM 0 HA LYS B 878 -1.765 -11.188 4.176 1.00 0.00 H new ATOM 0 HB2 LYS B 878 -3.626 -12.233 5.622 1.00 0.00 H new ATOM 0 HB3 LYS B 878 -2.791 -11.585 7.020 1.00 0.00 H new ATOM 0 HG2 LYS B 878 -2.842 -9.287 5.802 1.00 0.00 H new ATOM 0 HG3 LYS B 878 -3.970 -10.020 4.678 1.00 0.00 H new ATOM 0 HD2 LYS B 878 -5.527 -10.570 6.524 1.00 0.00 H new ATOM 0 HD3 LYS B 878 -4.375 -9.996 7.713 1.00 0.00 H new ATOM 0 HE2 LYS B 878 -4.447 -7.711 6.509 1.00 0.00 H new ATOM 0 HE3 LYS B 878 -5.800 -8.331 5.583 1.00 0.00 H new ATOM 0 HZ1 LYS B 878 -6.557 -7.141 7.552 1.00 0.00 H new ATOM 0 HZ2 LYS B 878 -6.983 -8.781 7.665 1.00 0.00 H new ATOM 0 HZ3 LYS B 878 -5.672 -8.181 8.562 1.00 0.00 H new ATOM 1201 N LEU B 879 -0.474 -9.410 5.431 1.00 0.00 N ATOM 1202 CA LEU B 879 0.485 -8.460 5.988 1.00 0.00 C ATOM 1203 C LEU B 879 -0.189 -7.101 6.155 1.00 0.00 C ATOM 1204 O LEU B 879 -0.133 -6.273 5.250 1.00 0.00 O ATOM 1205 CB LEU B 879 1.659 -8.298 5.013 1.00 0.00 C ATOM 1206 CG LEU B 879 2.504 -9.597 4.948 1.00 0.00 C ATOM 1207 CD1 LEU B 879 3.085 -9.775 3.535 1.00 0.00 C ATOM 1208 CD2 LEU B 879 3.645 -9.524 5.971 1.00 0.00 C ATOM 0 H LEU B 879 -1.041 -9.034 4.672 1.00 0.00 H new ATOM 0 HA LEU B 879 0.839 -8.827 6.951 1.00 0.00 H new ATOM 0 HB2 LEU B 879 1.282 -8.054 4.020 1.00 0.00 H new ATOM 0 HB3 LEU B 879 2.288 -7.465 5.329 1.00 0.00 H new ATOM 0 HG LEU B 879 1.865 -10.449 5.181 1.00 0.00 H new ATOM 0 HD11 LEU B 879 3.677 -10.689 3.498 1.00 0.00 H new ATOM 0 HD12 LEU B 879 2.271 -9.840 2.813 1.00 0.00 H new ATOM 0 HD13 LEU B 879 3.719 -8.922 3.292 1.00 0.00 H new ATOM 0 HD21 LEU B 879 4.236 -10.438 5.922 1.00 0.00 H new ATOM 0 HD22 LEU B 879 4.281 -8.668 5.746 1.00 0.00 H new ATOM 0 HD23 LEU B 879 3.229 -9.414 6.973 1.00 0.00 H new ATOM 1220 N PRO B 880 -0.828 -6.842 7.264 1.00 0.00 N ATOM 1221 CA PRO B 880 -1.514 -5.542 7.468 1.00 0.00 C ATOM 1222 C PRO B 880 -0.520 -4.431 7.811 1.00 0.00 C ATOM 1223 O PRO B 880 0.318 -4.589 8.697 1.00 0.00 O ATOM 1224 CB PRO B 880 -2.481 -5.825 8.623 1.00 0.00 C ATOM 1225 CG PRO B 880 -1.826 -6.915 9.420 1.00 0.00 C ATOM 1226 CD PRO B 880 -0.972 -7.732 8.432 1.00 0.00 C ATOM 0 HA PRO B 880 -2.026 -5.186 6.574 1.00 0.00 H new ATOM 0 HB2 PRO B 880 -2.642 -4.934 9.230 1.00 0.00 H new ATOM 0 HB3 PRO B 880 -3.457 -6.139 8.253 1.00 0.00 H new ATOM 0 HG2 PRO B 880 -1.206 -6.496 10.213 1.00 0.00 H new ATOM 0 HG3 PRO B 880 -2.574 -7.547 9.900 1.00 0.00 H new ATOM 0 HD2 PRO B 880 -0.003 -7.989 8.860 1.00 0.00 H new ATOM 0 HD3 PRO B 880 -1.460 -8.669 8.162 1.00 0.00 H new ATOM 1234 N VAL B 881 -0.641 -3.295 7.120 1.00 0.00 N ATOM 1235 CA VAL B 881 0.230 -2.142 7.365 1.00 0.00 C ATOM 1236 C VAL B 881 -0.626 -0.909 7.625 1.00 0.00 C ATOM 1237 O VAL B 881 -1.234 -0.363 6.705 1.00 0.00 O ATOM 1238 CB VAL B 881 1.123 -1.889 6.148 1.00 0.00 C ATOM 1239 CG1 VAL B 881 1.924 -0.600 6.356 1.00 0.00 C ATOM 1240 CG2 VAL B 881 2.087 -3.063 5.968 1.00 0.00 C ATOM 0 H VAL B 881 -1.334 -3.149 6.386 1.00 0.00 H new ATOM 0 HA VAL B 881 0.857 -2.348 8.232 1.00 0.00 H new ATOM 0 HB VAL B 881 0.500 -1.789 5.259 1.00 0.00 H new ATOM 0 HG11 VAL B 881 2.559 -0.422 5.488 1.00 0.00 H new ATOM 0 HG12 VAL B 881 1.238 0.238 6.482 1.00 0.00 H new ATOM 0 HG13 VAL B 881 2.545 -0.697 7.246 1.00 0.00 H new ATOM 0 HG21 VAL B 881 2.723 -2.882 5.101 1.00 0.00 H new ATOM 0 HG22 VAL B 881 2.708 -3.164 6.858 1.00 0.00 H new ATOM 0 HG23 VAL B 881 1.519 -3.981 5.816 1.00 0.00 H new ATOM 1250 N SER B 882 -0.666 -0.473 8.879 1.00 0.00 N ATOM 1251 CA SER B 882 -1.452 0.701 9.250 1.00 0.00 C ATOM 1252 C SER B 882 -0.615 1.971 9.128 1.00 0.00 C ATOM 1253 O SER B 882 0.488 2.042 9.669 1.00 0.00 O ATOM 1254 CB SER B 882 -1.949 0.558 10.688 1.00 0.00 C ATOM 1255 OG SER B 882 -0.844 0.658 11.579 1.00 0.00 O ATOM 0 H SER B 882 -0.167 -0.911 9.653 1.00 0.00 H new ATOM 0 HA SER B 882 -2.302 0.774 8.572 1.00 0.00 H new ATOM 0 HB2 SER B 882 -2.682 1.334 10.911 1.00 0.00 H new ATOM 0 HB3 SER B 882 -2.450 -0.401 10.818 1.00 0.00 H new ATOM 0 HG SER B 882 -0.090 1.082 11.119 1.00 0.00 H new ATOM 1261 N ILE B 883 -1.132 2.969 8.409 1.00 0.00 N ATOM 1262 CA ILE B 883 -0.407 4.231 8.214 1.00 0.00 C ATOM 1263 C ILE B 883 -1.264 5.420 8.678 1.00 0.00 C ATOM 1264 O ILE B 883 -2.302 5.697 8.076 1.00 0.00 O ATOM 1265 CB ILE B 883 -0.086 4.404 6.729 1.00 0.00 C ATOM 1266 CG1 ILE B 883 0.662 3.168 6.220 1.00 0.00 C ATOM 1267 CG2 ILE B 883 0.793 5.642 6.540 1.00 0.00 C ATOM 1268 CD1 ILE B 883 0.832 3.262 4.702 1.00 0.00 C ATOM 0 H ILE B 883 -2.044 2.931 7.954 1.00 0.00 H new ATOM 0 HA ILE B 883 0.512 4.201 8.800 1.00 0.00 H new ATOM 0 HB ILE B 883 -1.013 4.525 6.169 1.00 0.00 H new ATOM 0 HG12 ILE B 883 1.637 3.096 6.702 1.00 0.00 H new ATOM 0 HG13 ILE B 883 0.111 2.264 6.479 1.00 0.00 H new ATOM 0 HG21 ILE B 883 1.023 5.767 5.482 1.00 0.00 H new ATOM 0 HG22 ILE B 883 0.264 6.523 6.903 1.00 0.00 H new ATOM 0 HG23 ILE B 883 1.720 5.519 7.101 1.00 0.00 H new ATOM 0 HD11 ILE B 883 1.364 2.382 4.340 1.00 0.00 H new ATOM 0 HD12 ILE B 883 -0.148 3.313 4.229 1.00 0.00 H new ATOM 0 HD13 ILE B 883 1.401 4.158 4.454 1.00 0.00 H new ATOM 1280 N PRO B 884 -0.874 6.135 9.718 1.00 0.00 N ATOM 1281 CA PRO B 884 -1.662 7.303 10.210 1.00 0.00 C ATOM 1282 C PRO B 884 -2.168 8.183 9.068 1.00 0.00 C ATOM 1283 O PRO B 884 -1.399 8.586 8.194 1.00 0.00 O ATOM 1284 CB PRO B 884 -0.664 8.055 11.096 1.00 0.00 C ATOM 1285 CG PRO B 884 0.232 6.991 11.637 1.00 0.00 C ATOM 1286 CD PRO B 884 0.340 5.926 10.537 1.00 0.00 C ATOM 0 HA PRO B 884 -2.565 7.001 10.741 1.00 0.00 H new ATOM 0 HB2 PRO B 884 -0.103 8.793 10.523 1.00 0.00 H new ATOM 0 HB3 PRO B 884 -1.171 8.592 11.898 1.00 0.00 H new ATOM 0 HG2 PRO B 884 1.213 7.396 11.885 1.00 0.00 H new ATOM 0 HG3 PRO B 884 -0.177 6.565 12.553 1.00 0.00 H new ATOM 0 HD2 PRO B 884 1.247 6.053 9.946 1.00 0.00 H new ATOM 0 HD3 PRO B 884 0.371 4.920 10.956 1.00 0.00 H new ATOM 1294 N LEU B 885 -3.464 8.474 9.084 1.00 0.00 N ATOM 1295 CA LEU B 885 -4.067 9.303 8.048 1.00 0.00 C ATOM 1296 C LEU B 885 -3.454 10.698 8.052 1.00 0.00 C ATOM 1297 O LEU B 885 -3.626 11.465 7.103 1.00 0.00 O ATOM 1298 CB LEU B 885 -5.579 9.416 8.269 1.00 0.00 C ATOM 1299 CG LEU B 885 -6.196 8.024 8.441 1.00 0.00 C ATOM 1300 CD1 LEU B 885 -7.721 8.158 8.509 1.00 0.00 C ATOM 1301 CD2 LEU B 885 -5.812 7.125 7.256 1.00 0.00 C ATOM 0 H LEU B 885 -4.114 8.150 9.800 1.00 0.00 H new ATOM 0 HA LEU B 885 -3.875 8.831 7.085 1.00 0.00 H new ATOM 0 HB2 LEU B 885 -5.780 10.022 9.152 1.00 0.00 H new ATOM 0 HB3 LEU B 885 -6.040 9.924 7.422 1.00 0.00 H new ATOM 0 HG LEU B 885 -5.821 7.574 9.360 1.00 0.00 H new ATOM 0 HD11 LEU B 885 -8.168 7.171 8.631 1.00 0.00 H new ATOM 0 HD12 LEU B 885 -7.994 8.787 9.356 1.00 0.00 H new ATOM 0 HD13 LEU B 885 -8.088 8.611 7.588 1.00 0.00 H new ATOM 0 HD21 LEU B 885 -6.256 6.138 7.389 1.00 0.00 H new ATOM 0 HD22 LEU B 885 -6.180 7.567 6.330 1.00 0.00 H new ATOM 0 HD23 LEU B 885 -4.727 7.031 7.207 1.00 0.00 H new ATOM 1313 N ALA B 886 -2.723 11.013 9.114 1.00 0.00 N ATOM 1314 CA ALA B 886 -2.068 12.310 9.219 1.00 0.00 C ATOM 1315 C ALA B 886 -0.803 12.317 8.367 1.00 0.00 C ATOM 1316 O ALA B 886 -0.316 13.376 7.971 1.00 0.00 O ATOM 1317 CB ALA B 886 -1.713 12.593 10.680 1.00 0.00 C ATOM 0 H ALA B 886 -2.570 10.393 9.909 1.00 0.00 H new ATOM 0 HA ALA B 886 -2.745 13.085 8.860 1.00 0.00 H new ATOM 0 HB1 ALA B 886 -1.223 13.564 10.754 1.00 0.00 H new ATOM 0 HB2 ALA B 886 -2.622 12.599 11.281 1.00 0.00 H new ATOM 0 HB3 ALA B 886 -1.040 11.818 11.048 1.00 0.00 H new ATOM 1323 N SER B 887 -0.266 11.127 8.104 1.00 0.00 N ATOM 1324 CA SER B 887 0.958 10.999 7.314 1.00 0.00 C ATOM 1325 C SER B 887 0.648 10.877 5.827 1.00 0.00 C ATOM 1326 O SER B 887 1.538 11.006 4.986 1.00 0.00 O ATOM 1327 CB SER B 887 1.740 9.768 7.771 1.00 0.00 C ATOM 1328 OG SER B 887 2.907 9.629 6.969 1.00 0.00 O ATOM 0 H SER B 887 -0.657 10.241 8.425 1.00 0.00 H new ATOM 0 HA SER B 887 1.554 11.899 7.468 1.00 0.00 H new ATOM 0 HB2 SER B 887 2.016 9.867 8.821 1.00 0.00 H new ATOM 0 HB3 SER B 887 1.119 8.876 7.687 1.00 0.00 H new ATOM 0 HG SER B 887 2.751 10.036 6.091 1.00 0.00 H new ATOM 1334 N VAL B 888 -0.620 10.621 5.504 1.00 0.00 N ATOM 1335 CA VAL B 888 -1.040 10.475 4.113 1.00 0.00 C ATOM 1336 C VAL B 888 -2.385 11.156 3.896 1.00 0.00 C ATOM 1337 O VAL B 888 -2.884 11.868 4.768 1.00 0.00 O ATOM 1338 CB VAL B 888 -1.150 8.990 3.751 1.00 0.00 C ATOM 1339 CG1 VAL B 888 0.250 8.393 3.592 1.00 0.00 C ATOM 1340 CG2 VAL B 888 -1.897 8.246 4.861 1.00 0.00 C ATOM 0 H VAL B 888 -1.371 10.511 6.185 1.00 0.00 H new ATOM 0 HA VAL B 888 -0.295 10.946 3.472 1.00 0.00 H new ATOM 0 HB VAL B 888 -1.696 8.888 2.813 1.00 0.00 H new ATOM 0 HG11 VAL B 888 0.168 7.337 3.335 1.00 0.00 H new ATOM 0 HG12 VAL B 888 0.782 8.919 2.800 1.00 0.00 H new ATOM 0 HG13 VAL B 888 0.798 8.497 4.528 1.00 0.00 H new ATOM 0 HG21 VAL B 888 -1.975 7.190 4.603 1.00 0.00 H new ATOM 0 HG22 VAL B 888 -1.353 8.351 5.799 1.00 0.00 H new ATOM 0 HG23 VAL B 888 -2.896 8.667 4.972 1.00 0.00 H new ATOM 1350 N VAL B 889 -2.968 10.917 2.730 1.00 0.00 N ATOM 1351 CA VAL B 889 -4.267 11.489 2.380 1.00 0.00 C ATOM 1352 C VAL B 889 -5.099 10.463 1.628 1.00 0.00 C ATOM 1353 O VAL B 889 -4.569 9.638 0.883 1.00 0.00 O ATOM 1354 CB VAL B 889 -4.069 12.735 1.517 1.00 0.00 C ATOM 1355 CG1 VAL B 889 -5.368 13.545 1.474 1.00 0.00 C ATOM 1356 CG2 VAL B 889 -2.952 13.592 2.120 1.00 0.00 C ATOM 0 H VAL B 889 -2.561 10.327 2.004 1.00 0.00 H new ATOM 0 HA VAL B 889 -4.792 11.769 3.294 1.00 0.00 H new ATOM 0 HB VAL B 889 -3.798 12.437 0.504 1.00 0.00 H new ATOM 0 HG11 VAL B 889 -5.223 14.432 0.858 1.00 0.00 H new ATOM 0 HG12 VAL B 889 -6.164 12.934 1.048 1.00 0.00 H new ATOM 0 HG13 VAL B 889 -5.643 13.846 2.485 1.00 0.00 H new ATOM 0 HG21 VAL B 889 -2.806 14.482 1.508 1.00 0.00 H new ATOM 0 HG22 VAL B 889 -3.227 13.888 3.132 1.00 0.00 H new ATOM 0 HG23 VAL B 889 -2.027 13.016 2.149 1.00 0.00 H new ATOM 1366 N LEU B 890 -6.410 10.517 1.844 1.00 0.00 N ATOM 1367 CA LEU B 890 -7.336 9.588 1.202 1.00 0.00 C ATOM 1368 C LEU B 890 -8.161 10.316 0.130 1.00 0.00 C ATOM 1369 O LEU B 890 -9.125 11.007 0.463 1.00 0.00 O ATOM 1370 CB LEU B 890 -8.286 9.044 2.271 1.00 0.00 C ATOM 1371 CG LEU B 890 -7.488 8.451 3.442 1.00 0.00 C ATOM 1372 CD1 LEU B 890 -8.438 8.174 4.609 1.00 0.00 C ATOM 1373 CD2 LEU B 890 -6.809 7.143 3.013 1.00 0.00 C ATOM 0 H LEU B 890 -6.857 11.196 2.460 1.00 0.00 H new ATOM 0 HA LEU B 890 -6.775 8.781 0.731 1.00 0.00 H new ATOM 0 HB2 LEU B 890 -8.934 9.843 2.631 1.00 0.00 H new ATOM 0 HB3 LEU B 890 -8.932 8.280 1.838 1.00 0.00 H new ATOM 0 HG LEU B 890 -6.721 9.162 3.749 1.00 0.00 H new ATOM 0 HD11 LEU B 890 -7.877 7.753 5.443 1.00 0.00 H new ATOM 0 HD12 LEU B 890 -8.910 9.105 4.923 1.00 0.00 H new ATOM 0 HD13 LEU B 890 -9.205 7.466 4.294 1.00 0.00 H new ATOM 0 HD21 LEU B 890 -6.247 6.733 3.852 1.00 0.00 H new ATOM 0 HD22 LEU B 890 -7.567 6.426 2.699 1.00 0.00 H new ATOM 0 HD23 LEU B 890 -6.130 7.340 2.183 1.00 0.00 H new ATOM 1385 N PRO B 891 -7.832 10.175 -1.138 1.00 0.00 N ATOM 1386 CA PRO B 891 -8.601 10.837 -2.240 1.00 0.00 C ATOM 1387 C PRO B 891 -10.096 10.497 -2.193 1.00 0.00 C ATOM 1388 O PRO B 891 -10.581 9.665 -2.960 1.00 0.00 O ATOM 1389 CB PRO B 891 -7.943 10.301 -3.527 1.00 0.00 C ATOM 1390 CG PRO B 891 -6.570 9.884 -3.114 1.00 0.00 C ATOM 1391 CD PRO B 891 -6.695 9.397 -1.670 1.00 0.00 C ATOM 0 HA PRO B 891 -8.564 11.924 -2.166 1.00 0.00 H new ATOM 0 HB2 PRO B 891 -8.504 9.461 -3.937 1.00 0.00 H new ATOM 0 HB3 PRO B 891 -7.907 11.068 -4.301 1.00 0.00 H new ATOM 0 HG2 PRO B 891 -6.191 9.093 -3.761 1.00 0.00 H new ATOM 0 HG3 PRO B 891 -5.871 10.717 -3.186 1.00 0.00 H new ATOM 0 HD2 PRO B 891 -6.886 8.325 -1.624 1.00 0.00 H new ATOM 0 HD3 PRO B 891 -5.782 9.583 -1.104 1.00 0.00 H new ATOM 1399 N SER B 892 -10.822 11.150 -1.290 1.00 0.00 N ATOM 1400 CA SER B 892 -12.254 10.904 -1.161 1.00 0.00 C ATOM 1401 C SER B 892 -12.849 11.740 -0.032 1.00 0.00 C ATOM 1402 O SER B 892 -13.978 11.505 0.401 1.00 0.00 O ATOM 1403 CB SER B 892 -12.506 9.420 -0.885 1.00 0.00 C ATOM 1404 OG SER B 892 -13.795 9.260 -0.306 1.00 0.00 O ATOM 0 H SER B 892 -10.448 11.845 -0.644 1.00 0.00 H new ATOM 0 HA SER B 892 -12.734 11.189 -2.097 1.00 0.00 H new ATOM 0 HB2 SER B 892 -12.438 8.850 -1.811 1.00 0.00 H new ATOM 0 HB3 SER B 892 -11.742 9.029 -0.213 1.00 0.00 H new ATOM 0 HG SER B 892 -14.337 10.056 -0.489 1.00 0.00 H new ATOM 1410 N ARG B 893 -12.083 12.718 0.439 1.00 0.00 N ATOM 1411 CA ARG B 893 -12.542 13.586 1.518 1.00 0.00 C ATOM 1412 C ARG B 893 -13.911 14.170 1.192 1.00 0.00 C ATOM 1413 O ARG B 893 -14.803 14.198 2.040 1.00 0.00 O ATOM 1414 CB ARG B 893 -11.540 14.721 1.737 1.00 0.00 C ATOM 1415 CG ARG B 893 -10.218 14.147 2.251 1.00 0.00 C ATOM 1416 CD ARG B 893 -9.168 15.257 2.311 1.00 0.00 C ATOM 1417 NE ARG B 893 -9.568 16.280 3.269 1.00 0.00 N ATOM 1418 CZ ARG B 893 -8.729 17.243 3.638 1.00 0.00 C ATOM 1419 NH1 ARG B 893 -7.524 17.284 3.139 1.00 0.00 N ATOM 1420 NH2 ARG B 893 -9.111 18.148 4.498 1.00 0.00 N ATOM 0 H ARG B 893 -11.147 12.929 0.093 1.00 0.00 H new ATOM 0 HA ARG B 893 -12.622 12.991 2.428 1.00 0.00 H new ATOM 0 HB2 ARG B 893 -11.376 15.260 0.804 1.00 0.00 H new ATOM 0 HB3 ARG B 893 -11.939 15.439 2.453 1.00 0.00 H new ATOM 0 HG2 ARG B 893 -10.359 13.711 3.240 1.00 0.00 H new ATOM 0 HG3 ARG B 893 -9.878 13.345 1.595 1.00 0.00 H new ATOM 0 HD2 ARG B 893 -8.203 14.839 2.597 1.00 0.00 H new ATOM 0 HD3 ARG B 893 -9.043 15.702 1.324 1.00 0.00 H new ATOM 0 HE ARG B 893 -10.508 16.257 3.663 1.00 0.00 H new ATOM 0 HH11 ARG B 893 -7.226 16.577 2.466 1.00 0.00 H new ATOM 0 HH12 ARG B 893 -6.880 18.023 3.422 1.00 0.00 H new ATOM 0 HH21 ARG B 893 -10.053 18.116 4.887 1.00 0.00 H new ATOM 0 HH22 ARG B 893 -8.467 18.887 4.781 1.00 0.00 H new ATOM 1434 N ALA B 894 -14.072 14.638 -0.043 1.00 0.00 N ATOM 1435 CA ALA B 894 -15.339 15.221 -0.470 1.00 0.00 C ATOM 1436 C ALA B 894 -15.448 15.211 -1.992 1.00 0.00 C ATOM 1437 O ALA B 894 -14.598 15.769 -2.688 1.00 0.00 O ATOM 1438 CB ALA B 894 -15.451 16.657 0.041 1.00 0.00 C ATOM 0 H ALA B 894 -13.347 14.625 -0.760 1.00 0.00 H new ATOM 0 HA ALA B 894 -16.150 14.623 -0.055 1.00 0.00 H new ATOM 0 HB1 ALA B 894 -16.400 17.085 -0.282 1.00 0.00 H new ATOM 0 HB2 ALA B 894 -15.403 16.660 1.130 1.00 0.00 H new ATOM 0 HB3 ALA B 894 -14.630 17.251 -0.360 1.00 0.00 H new ATOM 1444 N GLU B 895 -16.498 14.576 -2.501 1.00 0.00 N ATOM 1445 CA GLU B 895 -16.708 14.500 -3.941 1.00 0.00 C ATOM 1446 C GLU B 895 -17.216 15.835 -4.481 1.00 0.00 C ATOM 1447 O GLU B 895 -16.460 16.601 -5.077 1.00 0.00 O ATOM 1448 CB GLU B 895 -17.720 13.398 -4.265 1.00 0.00 C ATOM 1449 CG GLU B 895 -17.148 12.042 -3.849 1.00 0.00 C ATOM 1450 CD GLU B 895 -17.084 11.947 -2.329 1.00 0.00 C ATOM 1451 OE1 GLU B 895 -17.953 12.507 -1.684 1.00 0.00 O ATOM 1452 OE2 GLU B 895 -16.165 11.314 -1.832 1.00 0.00 O ATOM 0 H GLU B 895 -17.212 14.110 -1.942 1.00 0.00 H new ATOM 0 HA GLU B 895 -15.755 14.268 -4.416 1.00 0.00 H new ATOM 0 HB2 GLU B 895 -18.658 13.585 -3.742 1.00 0.00 H new ATOM 0 HB3 GLU B 895 -17.945 13.398 -5.332 1.00 0.00 H new ATOM 0 HG2 GLU B 895 -17.769 11.239 -4.246 1.00 0.00 H new ATOM 0 HG3 GLU B 895 -16.152 11.913 -4.272 1.00 0.00 H new ATOM 1459 N ARG B 896 -18.500 16.103 -4.268 1.00 0.00 N ATOM 1460 CA ARG B 896 -19.099 17.347 -4.738 1.00 0.00 C ATOM 1461 C ARG B 896 -20.442 17.587 -4.057 1.00 0.00 C ATOM 1462 O ARG B 896 -20.641 18.607 -3.397 1.00 0.00 O ATOM 1463 CB ARG B 896 -19.295 17.293 -6.255 1.00 0.00 C ATOM 1464 CG ARG B 896 -19.960 18.585 -6.730 1.00 0.00 C ATOM 1465 CD ARG B 896 -19.909 18.653 -8.258 1.00 0.00 C ATOM 1466 NE ARG B 896 -20.682 17.562 -8.837 1.00 0.00 N ATOM 1467 CZ ARG B 896 -20.656 17.318 -10.144 1.00 0.00 C ATOM 1468 NH1 ARG B 896 -19.928 18.063 -10.930 1.00 0.00 N ATOM 1469 NH2 ARG B 896 -21.356 16.335 -10.638 1.00 0.00 N ATOM 0 H ARG B 896 -19.142 15.481 -3.777 1.00 0.00 H new ATOM 0 HA ARG B 896 -18.427 18.168 -4.488 1.00 0.00 H new ATOM 0 HB2 ARG B 896 -18.334 17.162 -6.752 1.00 0.00 H new ATOM 0 HB3 ARG B 896 -19.911 16.435 -6.522 1.00 0.00 H new ATOM 0 HG2 ARG B 896 -20.994 18.621 -6.388 1.00 0.00 H new ATOM 0 HG3 ARG B 896 -19.452 19.448 -6.300 1.00 0.00 H new ATOM 0 HD2 ARG B 896 -20.304 19.610 -8.600 1.00 0.00 H new ATOM 0 HD3 ARG B 896 -18.875 18.596 -8.597 1.00 0.00 H new ATOM 0 HE ARG B 896 -21.253 16.975 -8.229 1.00 0.00 H new ATOM 0 HH11 ARG B 896 -19.380 18.831 -10.542 1.00 0.00 H new ATOM 0 HH12 ARG B 896 -19.907 17.877 -11.933 1.00 0.00 H new ATOM 0 HH21 ARG B 896 -21.924 15.753 -10.022 1.00 0.00 H new ATOM 0 HH22 ARG B 896 -21.336 16.148 -11.641 1.00 0.00 H new ATOM 1483 N ALA B 897 -21.361 16.640 -4.223 1.00 0.00 N ATOM 1484 CA ALA B 897 -22.684 16.759 -3.620 1.00 0.00 C ATOM 1485 C ALA B 897 -23.359 15.396 -3.535 1.00 0.00 C ATOM 1486 O ALA B 897 -24.187 15.048 -4.379 1.00 0.00 O ATOM 1487 CB ALA B 897 -23.551 17.711 -4.445 1.00 0.00 C ATOM 0 H ALA B 897 -21.216 15.789 -4.765 1.00 0.00 H new ATOM 0 HA ALA B 897 -22.568 17.157 -2.612 1.00 0.00 H new ATOM 0 HB1 ALA B 897 -24.537 17.794 -3.988 1.00 0.00 H new ATOM 0 HB2 ALA B 897 -23.082 18.694 -4.477 1.00 0.00 H new ATOM 0 HB3 ALA B 897 -23.653 17.324 -5.459 1.00 0.00 H new ATOM 1493 N ARG B 898 -23.001 14.625 -2.514 1.00 0.00 N ATOM 1494 CA ARG B 898 -23.579 13.299 -2.331 1.00 0.00 C ATOM 1495 C ARG B 898 -23.378 12.449 -3.580 1.00 0.00 C ATOM 1496 O ARG B 898 -24.339 12.106 -4.270 1.00 0.00 O ATOM 1497 CB ARG B 898 -25.074 13.419 -2.026 1.00 0.00 C ATOM 1498 CG ARG B 898 -25.277 14.319 -0.805 1.00 0.00 C ATOM 1499 CD ARG B 898 -26.755 14.323 -0.414 1.00 0.00 C ATOM 1500 NE ARG B 898 -27.002 15.331 0.611 1.00 0.00 N ATOM 1501 CZ ARG B 898 -28.098 15.291 1.362 1.00 0.00 C ATOM 1502 NH1 ARG B 898 -28.976 14.342 1.187 1.00 0.00 N ATOM 1503 NH2 ARG B 898 -28.297 16.205 2.273 1.00 0.00 N ATOM 0 H ARG B 898 -22.318 14.893 -1.805 1.00 0.00 H new ATOM 0 HA ARG B 898 -23.075 12.816 -1.494 1.00 0.00 H new ATOM 0 HB2 ARG B 898 -25.599 13.833 -2.887 1.00 0.00 H new ATOM 0 HB3 ARG B 898 -25.498 12.432 -1.838 1.00 0.00 H new ATOM 0 HG2 ARG B 898 -24.671 13.962 0.028 1.00 0.00 H new ATOM 0 HG3 ARG B 898 -24.946 15.333 -1.029 1.00 0.00 H new ATOM 0 HD2 ARG B 898 -27.370 14.527 -1.291 1.00 0.00 H new ATOM 0 HD3 ARG B 898 -27.043 13.339 -0.044 1.00 0.00 H new ATOM 0 HE ARG B 898 -26.323 16.079 0.754 1.00 0.00 H new ATOM 0 HH11 ARG B 898 -28.822 13.630 0.473 1.00 0.00 H new ATOM 0 HH12 ARG B 898 -29.817 14.312 1.764 1.00 0.00 H new ATOM 0 HH21 ARG B 898 -27.612 16.949 2.408 1.00 0.00 H new ATOM 0 HH22 ARG B 898 -29.138 16.175 2.850 1.00 0.00 H new ATOM 1517 N SER B 899 -22.125 12.110 -3.866 1.00 0.00 N ATOM 1518 CA SER B 899 -21.810 11.299 -5.035 1.00 0.00 C ATOM 1519 C SER B 899 -22.318 11.973 -6.306 1.00 0.00 C ATOM 1520 O SER B 899 -23.524 12.126 -6.501 1.00 0.00 O ATOM 1521 CB SER B 899 -22.450 9.917 -4.898 1.00 0.00 C ATOM 1522 OG SER B 899 -22.187 9.405 -3.599 1.00 0.00 O ATOM 0 H SER B 899 -21.316 12.383 -3.308 1.00 0.00 H new ATOM 0 HA SER B 899 -20.727 11.193 -5.101 1.00 0.00 H new ATOM 0 HB2 SER B 899 -23.525 9.983 -5.065 1.00 0.00 H new ATOM 0 HB3 SER B 899 -22.051 9.242 -5.655 1.00 0.00 H new ATOM 0 HG SER B 899 -22.597 8.520 -3.507 1.00 0.00 H new ATOM 1528 N THR B 900 -21.390 12.374 -7.170 1.00 0.00 N ATOM 1529 CA THR B 900 -21.754 13.030 -8.420 1.00 0.00 C ATOM 1530 C THR B 900 -22.567 12.088 -9.302 1.00 0.00 C ATOM 1531 O THR B 900 -23.672 11.749 -8.912 1.00 0.00 O ATOM 1532 CB THR B 900 -20.493 13.470 -9.167 1.00 0.00 C ATOM 1533 OG1 THR B 900 -20.825 13.771 -10.515 1.00 0.00 O ATOM 1534 CG2 THR B 900 -19.458 12.345 -9.131 1.00 0.00 C ATOM 1535 OXT THR B 900 -22.072 11.720 -10.354 1.00 0.00 O ATOM 0 H THR B 900 -20.387 12.257 -7.028 1.00 0.00 H new ATOM 0 HA THR B 900 -22.360 13.905 -8.186 1.00 0.00 H new ATOM 0 HB THR B 900 -20.077 14.357 -8.689 1.00 0.00 H new ATOM 0 HG1 THR B 900 -21.126 12.956 -10.968 1.00 0.00 H new ATOM 0 HG21 THR B 900 -18.560 12.659 -9.663 1.00 0.00 H new ATOM 0 HG22 THR B 900 -19.205 12.117 -8.096 1.00 0.00 H new ATOM 0 HG23 THR B 900 -19.870 11.456 -9.608 1.00 0.00 H new TER 1543 THR B 900