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 539 THR OG1 : rot 171:sc= 0.901 USER MOD Set 1.2: A 542 THR OG1 : rot 76:sc= 0.401 USER MOD Set 2.1: A 511 HIS : no HD1:sc= -5.45! C(o=-5.5!,f=-7.8!) USER MOD Set 2.2: A 515 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 501 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.522) USER MOD Single : A 503 TYR OH : rot 180:sc= -0.534 USER MOD Single : A 516 THR OG1 : rot -11:sc= 0.344 USER MOD Single : A 521 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 524 GLN : amide:sc= -3.4 K(o=-3.4,f=-1.4) USER MOD Single : A 525 GLN : amide:sc= -0.429 X(o=-0.43,f=-0.024) USER MOD Single : A 528 ASN : amide:sc= -0.0652 K(o=-0.065,f=-2.1!) USER MOD Single : A 533 THR OG1 : rot -9:sc= -1.75! USER MOD Single : A 535 HIS : no HD1:sc= -0.0503 X(o=-0.05,f=-0.0061) USER MOD Single : A 537 HIS : no HD1:sc= -0.421 X(o=-0.42,f=-0.73) USER MOD Single : A 540 ASN : amide:sc= -3.24! K(o=-3.2!,f=-0.71) USER MOD Single : A 541 THR OG1 : rot -68:sc= 0.925 USER MOD Single : A 548 CYS SG : rot -169:sc= -1.58 USER MOD Single : A 549 SER OG : rot -76:sc= 1.15 USER MOD Single : A 552 LYS NZ :NH3+ -178:sc= 1.02 (180deg=1.01) USER MOD Single : A 553 THR OG1 : rot 180:sc=0.000214 USER MOD Single : A 554 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 557 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 559 GLN : amide:sc= -4.52! C(o=-4.5!,f=-9.3!) USER MOD Single : A 560 SER OG : rot 180:sc= 0 USER MOD Single : A 561 TYR OH : rot 165:sc= 0 USER MOD Single : A 564 THR OG1 : rot 180:sc= 0 USER MOD Single : A 565 SER OG : rot 180:sc= 0 USER MOD Single : A 567 THR OG1 : rot 37:sc= 0.957 USER MOD Single : A 568 SER OG : rot 180:sc= 0 USER MOD Single : B 876 THR OG1 : rot 50:sc= 0.653 USER MOD Single : B 877 ASN : amide:sc= 0.174 K(o=0.17,f=-1.7!) USER MOD Single : B 878 LYS NZ :NH3+ -152:sc= -1.03 (180deg=-1.78) USER MOD Single : B 882 SER OG : rot 26:sc= 0.217 USER MOD Single : B 887 SER OG : rot 150:sc= -0.0133 USER MOD Single : B 892 SER OG : rot -58:sc= 0.427 USER MOD Single : B 899 SER OG : rot 180:sc= 0 USER MOD Single : B 900 THR OG1 : rot -69:sc= 0.479 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 500 6.205 -21.031 -6.459 1.00 0.00 N ATOM 2 CA ASP A 500 5.126 -20.061 -6.110 1.00 0.00 C ATOM 3 C ASP A 500 5.367 -19.517 -4.707 1.00 0.00 C ATOM 4 O ASP A 500 4.643 -18.639 -4.239 1.00 0.00 O ATOM 5 CB ASP A 500 3.770 -20.768 -6.171 1.00 0.00 C ATOM 6 CG ASP A 500 2.645 -19.742 -6.106 1.00 0.00 C ATOM 7 OD1 ASP A 500 2.946 -18.569 -5.963 1.00 0.00 O ATOM 8 OD2 ASP A 500 1.496 -20.146 -6.200 1.00 0.00 O ATOM 0 HA ASP A 500 5.131 -19.233 -6.819 1.00 0.00 H new ATOM 0 HB2 ASP A 500 3.693 -21.347 -7.092 1.00 0.00 H new ATOM 0 HB3 ASP A 500 3.680 -21.472 -5.344 1.00 0.00 H new ATOM 15 N LYS A 501 6.386 -20.046 -4.038 1.00 0.00 N ATOM 16 CA LYS A 501 6.713 -19.606 -2.685 1.00 0.00 C ATOM 17 C LYS A 501 7.470 -18.283 -2.723 1.00 0.00 C ATOM 18 O LYS A 501 7.773 -17.699 -1.682 1.00 0.00 O ATOM 19 CB LYS A 501 7.568 -20.663 -1.981 1.00 0.00 C ATOM 20 CG LYS A 501 6.856 -22.023 -2.017 1.00 0.00 C ATOM 21 CD LYS A 501 5.659 -22.025 -1.056 1.00 0.00 C ATOM 22 CE LYS A 501 5.225 -23.469 -0.784 1.00 0.00 C ATOM 23 NZ LYS A 501 5.171 -24.221 -2.070 1.00 0.00 N ATOM 0 H LYS A 501 6.997 -20.775 -4.407 1.00 0.00 H new ATOM 0 HA LYS A 501 5.783 -19.467 -2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 501 8.540 -20.739 -2.468 1.00 0.00 H new ATOM 0 HB3 LYS A 501 7.751 -20.366 -0.948 1.00 0.00 H new ATOM 0 HG2 LYS A 501 6.517 -22.237 -3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 501 7.554 -22.814 -1.741 1.00 0.00 H new ATOM 0 HD2 LYS A 501 5.928 -21.533 -0.122 1.00 0.00 H new ATOM 0 HD3 LYS A 501 4.832 -21.460 -1.487 1.00 0.00 H new ATOM 0 HE2 LYS A 501 5.925 -23.948 -0.099 1.00 0.00 H new ATOM 0 HE3 LYS A 501 4.248 -23.482 -0.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 501 4.506 -25.016 -1.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 501 4.851 -23.587 -2.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 501 6.118 -24.586 -2.299 1.00 0.00 H new ATOM 37 N ALA A 502 7.774 -17.816 -3.929 1.00 0.00 N ATOM 38 CA ALA A 502 8.499 -16.560 -4.092 1.00 0.00 C ATOM 39 C ALA A 502 7.563 -15.370 -3.908 1.00 0.00 C ATOM 40 O ALA A 502 7.924 -14.373 -3.284 1.00 0.00 O ATOM 41 CB ALA A 502 9.133 -16.501 -5.484 1.00 0.00 C ATOM 0 H ALA A 502 7.532 -18.284 -4.803 1.00 0.00 H new ATOM 0 HA ALA A 502 9.280 -16.513 -3.333 1.00 0.00 H new ATOM 0 HB1 ALA A 502 9.672 -15.561 -5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 502 9.826 -17.334 -5.604 1.00 0.00 H new ATOM 0 HB3 ALA A 502 8.353 -16.566 -6.242 1.00 0.00 H new ATOM 47 N TYR A 503 6.360 -15.486 -4.459 1.00 0.00 N ATOM 48 CA TYR A 503 5.373 -14.417 -4.358 1.00 0.00 C ATOM 49 C TYR A 503 5.304 -13.887 -2.930 1.00 0.00 C ATOM 50 O TYR A 503 5.568 -12.711 -2.683 1.00 0.00 O ATOM 51 CB TYR A 503 3.999 -14.938 -4.779 1.00 0.00 C ATOM 52 CG TYR A 503 3.047 -13.774 -4.928 1.00 0.00 C ATOM 53 CD1 TYR A 503 3.254 -12.831 -5.942 1.00 0.00 C ATOM 54 CD2 TYR A 503 1.961 -13.632 -4.053 1.00 0.00 C ATOM 55 CE1 TYR A 503 2.378 -11.750 -6.082 1.00 0.00 C ATOM 56 CE2 TYR A 503 1.085 -12.550 -4.193 1.00 0.00 C ATOM 57 CZ TYR A 503 1.294 -11.609 -5.208 1.00 0.00 C ATOM 58 OH TYR A 503 0.430 -10.543 -5.346 1.00 0.00 O ATOM 0 H TYR A 503 6.045 -16.306 -4.978 1.00 0.00 H new ATOM 0 HA TYR A 503 5.672 -13.605 -5.020 1.00 0.00 H new ATOM 0 HB2 TYR A 503 4.077 -15.482 -5.720 1.00 0.00 H new ATOM 0 HB3 TYR A 503 3.620 -15.640 -4.036 1.00 0.00 H new ATOM 0 HD1 TYR A 503 4.091 -12.939 -6.616 1.00 0.00 H new ATOM 0 HD2 TYR A 503 1.800 -14.358 -3.270 1.00 0.00 H new ATOM 0 HE1 TYR A 503 2.538 -11.024 -6.865 1.00 0.00 H new ATOM 0 HE2 TYR A 503 0.248 -12.441 -3.519 1.00 0.00 H new ATOM 0 HH TYR A 503 -0.267 -10.596 -4.660 1.00 0.00 H new ATOM 68 N LEU A 504 4.945 -14.756 -1.991 1.00 0.00 N ATOM 69 CA LEU A 504 4.844 -14.355 -0.591 1.00 0.00 C ATOM 70 C LEU A 504 6.042 -13.492 -0.195 1.00 0.00 C ATOM 71 O LEU A 504 5.883 -12.399 0.346 1.00 0.00 O ATOM 72 CB LEU A 504 4.781 -15.597 0.308 1.00 0.00 C ATOM 73 CG LEU A 504 3.380 -16.215 0.249 1.00 0.00 C ATOM 74 CD1 LEU A 504 3.090 -16.710 -1.172 1.00 0.00 C ATOM 75 CD2 LEU A 504 3.304 -17.390 1.227 1.00 0.00 C ATOM 0 H LEU A 504 4.721 -15.735 -2.171 1.00 0.00 H new ATOM 0 HA LEU A 504 3.932 -13.772 -0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 504 5.524 -16.327 -0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 504 5.025 -15.326 1.335 1.00 0.00 H new ATOM 0 HG LEU A 504 2.641 -15.462 0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 504 2.093 -17.148 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 504 3.143 -15.872 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 504 3.827 -17.462 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 504 2.309 -17.832 1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 504 4.045 -18.140 0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 504 3.504 -17.035 2.238 1.00 0.00 H new ATOM 87 N ASP A 505 7.240 -13.998 -0.472 1.00 0.00 N ATOM 88 CA ASP A 505 8.460 -13.271 -0.146 1.00 0.00 C ATOM 89 C ASP A 505 8.350 -11.816 -0.593 1.00 0.00 C ATOM 90 O ASP A 505 8.610 -10.897 0.184 1.00 0.00 O ATOM 91 CB ASP A 505 9.660 -13.933 -0.831 1.00 0.00 C ATOM 92 CG ASP A 505 10.959 -13.470 -0.179 1.00 0.00 C ATOM 93 OD1 ASP A 505 11.138 -13.741 0.997 1.00 0.00 O ATOM 94 OD2 ASP A 505 11.756 -12.852 -0.865 1.00 0.00 O ATOM 0 H ASP A 505 7.391 -14.903 -0.918 1.00 0.00 H new ATOM 0 HA ASP A 505 8.601 -13.296 0.934 1.00 0.00 H new ATOM 0 HB2 ASP A 505 9.576 -15.017 -0.761 1.00 0.00 H new ATOM 0 HB3 ASP A 505 9.667 -13.682 -1.892 1.00 0.00 H new ATOM 99 N GLU A 506 7.963 -11.614 -1.849 1.00 0.00 N ATOM 100 CA GLU A 506 7.823 -10.265 -2.388 1.00 0.00 C ATOM 101 C GLU A 506 6.946 -9.411 -1.478 1.00 0.00 C ATOM 102 O GLU A 506 7.053 -8.186 -1.471 1.00 0.00 O ATOM 103 CB GLU A 506 7.206 -10.321 -3.787 1.00 0.00 C ATOM 104 CG GLU A 506 8.039 -11.244 -4.678 1.00 0.00 C ATOM 105 CD GLU A 506 9.433 -10.656 -4.877 1.00 0.00 C ATOM 106 OE1 GLU A 506 10.293 -10.934 -4.059 1.00 0.00 O ATOM 107 OE2 GLU A 506 9.617 -9.936 -5.843 1.00 0.00 O ATOM 0 H GLU A 506 7.742 -12.360 -2.508 1.00 0.00 H new ATOM 0 HA GLU A 506 8.814 -9.815 -2.446 1.00 0.00 H new ATOM 0 HB2 GLU A 506 6.180 -10.684 -3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 506 7.166 -9.321 -4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 506 8.113 -12.232 -4.224 1.00 0.00 H new ATOM 0 HG3 GLU A 506 7.548 -11.373 -5.643 1.00 0.00 H new ATOM 114 N LEU A 507 6.084 -10.067 -0.709 1.00 0.00 N ATOM 115 CA LEU A 507 5.195 -9.362 0.210 1.00 0.00 C ATOM 116 C LEU A 507 5.895 -9.109 1.542 1.00 0.00 C ATOM 117 O LEU A 507 5.795 -8.020 2.107 1.00 0.00 O ATOM 118 CB LEU A 507 3.924 -10.181 0.441 1.00 0.00 C ATOM 119 CG LEU A 507 3.456 -10.792 -0.882 1.00 0.00 C ATOM 120 CD1 LEU A 507 2.083 -11.432 -0.683 1.00 0.00 C ATOM 121 CD2 LEU A 507 3.352 -9.696 -1.949 1.00 0.00 C ATOM 0 H LEU A 507 5.981 -11.082 -0.703 1.00 0.00 H new ATOM 0 HA LEU A 507 4.929 -8.403 -0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 507 4.115 -10.969 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 507 3.141 -9.546 0.856 1.00 0.00 H new ATOM 0 HG LEU A 507 4.173 -11.546 -1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 507 1.745 -11.869 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 507 2.152 -12.212 0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 507 1.371 -10.673 -0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 507 3.019 -10.134 -2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 507 2.635 -8.941 -1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 507 4.328 -9.232 -2.091 1.00 0.00 H new ATOM 133 N VAL A 508 6.596 -10.120 2.043 1.00 0.00 N ATOM 134 CA VAL A 508 7.299 -9.989 3.315 1.00 0.00 C ATOM 135 C VAL A 508 8.285 -8.825 3.273 1.00 0.00 C ATOM 136 O VAL A 508 8.181 -7.880 4.054 1.00 0.00 O ATOM 137 CB VAL A 508 8.040 -11.283 3.642 1.00 0.00 C ATOM 138 CG1 VAL A 508 8.725 -11.143 5.002 1.00 0.00 C ATOM 139 CG2 VAL A 508 7.041 -12.442 3.692 1.00 0.00 C ATOM 0 H VAL A 508 6.693 -11.031 1.594 1.00 0.00 H new ATOM 0 HA VAL A 508 6.561 -9.791 4.093 1.00 0.00 H new ATOM 0 HB VAL A 508 8.788 -11.481 2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 508 9.255 -12.065 5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 508 9.433 -10.315 4.969 1.00 0.00 H new ATOM 0 HG13 VAL A 508 7.975 -10.948 5.769 1.00 0.00 H new ATOM 0 HG21 VAL A 508 7.568 -13.367 3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 508 6.294 -12.246 4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 508 6.548 -12.539 2.725 1.00 0.00 H new ATOM 149 N GLU A 509 9.247 -8.901 2.355 1.00 0.00 N ATOM 150 CA GLU A 509 10.247 -7.846 2.224 1.00 0.00 C ATOM 151 C GLU A 509 9.563 -6.484 2.151 1.00 0.00 C ATOM 152 O GLU A 509 9.879 -5.581 2.926 1.00 0.00 O ATOM 153 CB GLU A 509 11.089 -8.075 0.964 1.00 0.00 C ATOM 154 CG GLU A 509 12.117 -9.182 1.221 1.00 0.00 C ATOM 155 CD GLU A 509 11.427 -10.422 1.780 1.00 0.00 C ATOM 156 OE1 GLU A 509 10.815 -11.136 1.003 1.00 0.00 O ATOM 157 OE2 GLU A 509 11.519 -10.638 2.978 1.00 0.00 O ATOM 0 H GLU A 509 9.354 -9.674 1.698 1.00 0.00 H new ATOM 0 HA GLU A 509 10.900 -7.869 3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 509 10.444 -8.351 0.130 1.00 0.00 H new ATOM 0 HB3 GLU A 509 11.597 -7.153 0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 509 12.633 -9.431 0.294 1.00 0.00 H new ATOM 0 HG3 GLU A 509 12.873 -8.830 1.923 1.00 0.00 H new ATOM 164 N LEU A 510 8.618 -6.343 1.228 1.00 0.00 N ATOM 165 CA LEU A 510 7.899 -5.083 1.086 1.00 0.00 C ATOM 166 C LEU A 510 7.252 -4.721 2.420 1.00 0.00 C ATOM 167 O LEU A 510 7.418 -3.611 2.925 1.00 0.00 O ATOM 168 CB LEU A 510 6.823 -5.212 -0.022 1.00 0.00 C ATOM 169 CG LEU A 510 7.311 -4.570 -1.334 1.00 0.00 C ATOM 170 CD1 LEU A 510 8.502 -5.355 -1.892 1.00 0.00 C ATOM 171 CD2 LEU A 510 6.173 -4.580 -2.360 1.00 0.00 C ATOM 0 H LEU A 510 8.335 -7.074 0.576 1.00 0.00 H new ATOM 0 HA LEU A 510 8.594 -4.293 0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 510 6.592 -6.264 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 510 5.900 -4.731 0.303 1.00 0.00 H new ATOM 0 HG LEU A 510 7.620 -3.544 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 510 8.840 -4.893 -2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 510 9.315 -5.348 -1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 510 8.200 -6.384 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 510 6.517 -4.126 -3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 510 5.864 -5.608 -2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 510 5.327 -4.013 -1.971 1.00 0.00 H new ATOM 183 N HIS A 511 6.514 -5.671 2.983 1.00 0.00 N ATOM 184 CA HIS A 511 5.843 -5.454 4.254 1.00 0.00 C ATOM 185 C HIS A 511 6.822 -4.934 5.302 1.00 0.00 C ATOM 186 O HIS A 511 6.615 -3.870 5.886 1.00 0.00 O ATOM 187 CB HIS A 511 5.223 -6.766 4.736 1.00 0.00 C ATOM 188 CG HIS A 511 4.600 -6.553 6.081 1.00 0.00 C ATOM 189 ND1 HIS A 511 3.527 -5.703 6.262 1.00 0.00 N ATOM 190 CD2 HIS A 511 4.900 -7.055 7.324 1.00 0.00 C ATOM 191 CE1 HIS A 511 3.221 -5.711 7.571 1.00 0.00 C ATOM 192 NE2 HIS A 511 4.026 -6.521 8.263 1.00 0.00 N ATOM 0 H HIS A 511 6.367 -6.596 2.579 1.00 0.00 H new ATOM 0 HA HIS A 511 5.062 -4.708 4.111 1.00 0.00 H new ATOM 0 HB2 HIS A 511 4.472 -7.110 4.025 1.00 0.00 H new ATOM 0 HB3 HIS A 511 5.986 -7.542 4.794 1.00 0.00 H new ATOM 0 HD2 HIS A 511 5.693 -7.756 7.538 1.00 0.00 H new ATOM 0 HE1 HIS A 511 2.421 -5.133 8.010 1.00 0.00 H new ATOM 0 HE2 HIS A 511 4.004 -6.708 9.266 1.00 0.00 H new ATOM 201 N ARG A 512 7.885 -5.695 5.536 1.00 0.00 N ATOM 202 CA ARG A 512 8.889 -5.307 6.519 1.00 0.00 C ATOM 203 C ARG A 512 9.390 -3.895 6.237 1.00 0.00 C ATOM 204 O ARG A 512 9.386 -3.034 7.118 1.00 0.00 O ATOM 205 CB ARG A 512 10.058 -6.300 6.474 1.00 0.00 C ATOM 206 CG ARG A 512 11.216 -5.814 7.358 1.00 0.00 C ATOM 207 CD ARG A 512 10.704 -5.477 8.761 1.00 0.00 C ATOM 208 NE ARG A 512 11.812 -5.467 9.710 1.00 0.00 N ATOM 209 CZ ARG A 512 12.622 -4.419 9.810 1.00 0.00 C ATOM 210 NH1 ARG A 512 12.435 -3.375 9.050 1.00 0.00 N ATOM 211 NH2 ARG A 512 13.607 -4.434 10.666 1.00 0.00 N ATOM 0 H ARG A 512 8.073 -6.578 5.062 1.00 0.00 H new ATOM 0 HA ARG A 512 8.440 -5.321 7.512 1.00 0.00 H new ATOM 0 HB2 ARG A 512 9.722 -7.280 6.812 1.00 0.00 H new ATOM 0 HB3 ARG A 512 10.403 -6.418 5.447 1.00 0.00 H new ATOM 0 HG2 ARG A 512 11.985 -6.584 7.419 1.00 0.00 H new ATOM 0 HG3 ARG A 512 11.680 -4.935 6.911 1.00 0.00 H new ATOM 0 HD2 ARG A 512 10.213 -4.504 8.753 1.00 0.00 H new ATOM 0 HD3 ARG A 512 9.957 -6.209 9.070 1.00 0.00 H new ATOM 0 HE ARG A 512 11.967 -6.279 10.307 1.00 0.00 H new ATOM 0 HH11 ARG A 512 11.667 -3.364 8.379 1.00 0.00 H new ATOM 0 HH12 ARG A 512 13.057 -2.570 9.127 1.00 0.00 H new ATOM 0 HH21 ARG A 512 13.755 -5.251 11.259 1.00 0.00 H new ATOM 0 HH22 ARG A 512 14.229 -3.629 10.742 1.00 0.00 H new ATOM 225 N ARG A 513 9.828 -3.666 5.005 1.00 0.00 N ATOM 226 CA ARG A 513 10.339 -2.359 4.614 1.00 0.00 C ATOM 227 C ARG A 513 9.292 -1.273 4.841 1.00 0.00 C ATOM 228 O ARG A 513 9.594 -0.211 5.385 1.00 0.00 O ATOM 229 CB ARG A 513 10.743 -2.377 3.139 1.00 0.00 C ATOM 230 CG ARG A 513 11.988 -3.249 2.961 1.00 0.00 C ATOM 231 CD ARG A 513 12.242 -3.476 1.470 1.00 0.00 C ATOM 232 NE ARG A 513 12.333 -2.197 0.774 1.00 0.00 N ATOM 233 CZ ARG A 513 12.297 -2.133 -0.553 1.00 0.00 C ATOM 234 NH1 ARG A 513 12.177 -3.227 -1.256 1.00 0.00 N ATOM 235 NH2 ARG A 513 12.381 -0.978 -1.153 1.00 0.00 N ATOM 0 H ARG A 513 9.840 -4.365 4.263 1.00 0.00 H new ATOM 0 HA ARG A 513 11.210 -2.137 5.231 1.00 0.00 H new ATOM 0 HB2 ARG A 513 9.925 -2.764 2.532 1.00 0.00 H new ATOM 0 HB3 ARG A 513 10.944 -1.363 2.794 1.00 0.00 H new ATOM 0 HG2 ARG A 513 12.852 -2.766 3.419 1.00 0.00 H new ATOM 0 HG3 ARG A 513 11.851 -4.205 3.467 1.00 0.00 H new ATOM 0 HD2 ARG A 513 13.165 -4.040 1.333 1.00 0.00 H new ATOM 0 HD3 ARG A 513 11.437 -4.074 1.043 1.00 0.00 H new ATOM 0 HE ARG A 513 12.426 -1.337 1.315 1.00 0.00 H new ATOM 0 HH11 ARG A 513 12.111 -4.130 -0.787 1.00 0.00 H new ATOM 0 HH12 ARG A 513 12.149 -3.178 -2.274 1.00 0.00 H new ATOM 0 HH21 ARG A 513 12.474 -0.124 -0.604 1.00 0.00 H new ATOM 0 HH22 ARG A 513 12.353 -0.929 -2.171 1.00 0.00 H new ATOM 249 N LEU A 514 8.062 -1.548 4.421 1.00 0.00 N ATOM 250 CA LEU A 514 6.975 -0.588 4.579 1.00 0.00 C ATOM 251 C LEU A 514 6.792 -0.213 6.046 1.00 0.00 C ATOM 252 O LEU A 514 6.552 0.948 6.378 1.00 0.00 O ATOM 253 CB LEU A 514 5.670 -1.182 4.030 1.00 0.00 C ATOM 254 CG LEU A 514 5.663 -1.120 2.487 1.00 0.00 C ATOM 255 CD1 LEU A 514 4.750 -2.216 1.929 1.00 0.00 C ATOM 256 CD2 LEU A 514 5.139 0.244 2.013 1.00 0.00 C ATOM 0 H LEU A 514 7.793 -2.423 3.971 1.00 0.00 H new ATOM 0 HA LEU A 514 7.228 0.313 4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 514 5.565 -2.216 4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 514 4.817 -0.633 4.427 1.00 0.00 H new ATOM 0 HG LEU A 514 6.683 -1.265 2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 514 4.748 -2.168 0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 514 5.115 -3.192 2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 514 3.736 -2.069 2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 514 5.139 0.275 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 514 4.123 0.391 2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 514 5.782 1.035 2.399 1.00 0.00 H new ATOM 268 N MET A 515 6.882 -1.211 6.917 1.00 0.00 N ATOM 269 CA MET A 515 6.700 -0.985 8.345 1.00 0.00 C ATOM 270 C MET A 515 7.652 0.081 8.868 1.00 0.00 C ATOM 271 O MET A 515 7.275 0.899 9.709 1.00 0.00 O ATOM 272 CB MET A 515 6.913 -2.291 9.111 1.00 0.00 C ATOM 273 CG MET A 515 6.396 -2.140 10.544 1.00 0.00 C ATOM 274 SD MET A 515 4.588 -2.237 10.546 1.00 0.00 S ATOM 275 CE MET A 515 4.460 -4.036 10.705 1.00 0.00 C ATOM 0 H MET A 515 7.079 -2.179 6.661 1.00 0.00 H new ATOM 0 HA MET A 515 5.681 -0.631 8.500 1.00 0.00 H new ATOM 0 HB2 MET A 515 6.391 -3.107 8.610 1.00 0.00 H new ATOM 0 HB3 MET A 515 7.972 -2.549 9.122 1.00 0.00 H new ATOM 0 HG2 MET A 515 6.814 -2.923 11.177 1.00 0.00 H new ATOM 0 HG3 MET A 515 6.720 -1.186 10.960 1.00 0.00 H new ATOM 0 HE1 MET A 515 3.409 -4.325 10.727 1.00 0.00 H new ATOM 0 HE2 MET A 515 4.950 -4.512 9.856 1.00 0.00 H new ATOM 0 HE3 MET A 515 4.943 -4.355 11.628 1.00 0.00 H new ATOM 285 N THR A 516 8.883 0.078 8.371 1.00 0.00 N ATOM 286 CA THR A 516 9.876 1.059 8.804 1.00 0.00 C ATOM 287 C THR A 516 9.863 2.261 7.870 1.00 0.00 C ATOM 288 O THR A 516 10.274 3.357 8.250 1.00 0.00 O ATOM 289 CB THR A 516 11.267 0.425 8.801 1.00 0.00 C ATOM 290 OG1 THR A 516 11.584 -0.018 7.489 1.00 0.00 O ATOM 291 CG2 THR A 516 11.289 -0.765 9.762 1.00 0.00 C ATOM 0 H THR A 516 9.218 -0.586 7.673 1.00 0.00 H new ATOM 0 HA THR A 516 9.630 1.387 9.814 1.00 0.00 H new ATOM 0 HB THR A 516 12.002 1.163 9.122 1.00 0.00 H new ATOM 0 HG1 THR A 516 10.781 0.020 6.928 1.00 0.00 H new ATOM 0 HG21 THR A 516 12.281 -1.217 9.759 1.00 0.00 H new ATOM 0 HG22 THR A 516 11.048 -0.424 10.769 1.00 0.00 H new ATOM 0 HG23 THR A 516 10.553 -1.504 9.443 1.00 0.00 H new ATOM 299 N LEU A 517 9.406 2.047 6.643 1.00 0.00 N ATOM 300 CA LEU A 517 9.370 3.122 5.662 1.00 0.00 C ATOM 301 C LEU A 517 8.639 4.340 6.214 1.00 0.00 C ATOM 302 O LEU A 517 7.592 4.212 6.849 1.00 0.00 O ATOM 303 CB LEU A 517 8.683 2.645 4.383 1.00 0.00 C ATOM 304 CG LEU A 517 8.911 3.659 3.242 1.00 0.00 C ATOM 305 CD1 LEU A 517 10.257 3.397 2.551 1.00 0.00 C ATOM 306 CD2 LEU A 517 7.788 3.522 2.211 1.00 0.00 C ATOM 0 H LEU A 517 9.059 1.149 6.306 1.00 0.00 H new ATOM 0 HA LEU A 517 10.397 3.408 5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 517 9.074 1.669 4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 517 7.615 2.521 4.560 1.00 0.00 H new ATOM 0 HG LEU A 517 8.916 4.664 3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 517 10.401 4.121 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 517 11.064 3.494 3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 517 10.263 2.389 2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 517 7.946 4.237 1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 517 7.788 2.510 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 517 6.829 3.721 2.689 1.00 0.00 H new ATOM 318 N ARG A 518 9.194 5.525 5.965 1.00 0.00 N ATOM 319 CA ARG A 518 8.590 6.776 6.435 1.00 0.00 C ATOM 320 C ARG A 518 8.394 7.739 5.267 1.00 0.00 C ATOM 321 O ARG A 518 7.607 8.681 5.351 1.00 0.00 O ATOM 322 CB ARG A 518 9.494 7.420 7.491 1.00 0.00 C ATOM 323 CG ARG A 518 8.741 8.542 8.226 1.00 0.00 C ATOM 324 CD ARG A 518 7.580 7.970 9.063 1.00 0.00 C ATOM 325 NE ARG A 518 6.341 7.998 8.293 1.00 0.00 N ATOM 326 CZ ARG A 518 5.198 7.562 8.811 1.00 0.00 C ATOM 327 NH1 ARG A 518 5.170 7.102 10.033 1.00 0.00 N ATOM 328 NH2 ARG A 518 4.104 7.594 8.102 1.00 0.00 N ATOM 0 H ARG A 518 10.060 5.648 5.441 1.00 0.00 H new ATOM 0 HA ARG A 518 7.618 6.555 6.876 1.00 0.00 H new ATOM 0 HB2 ARG A 518 9.824 6.666 8.205 1.00 0.00 H new ATOM 0 HB3 ARG A 518 10.389 7.823 7.017 1.00 0.00 H new ATOM 0 HG2 ARG A 518 9.430 9.083 8.875 1.00 0.00 H new ATOM 0 HG3 ARG A 518 8.354 9.260 7.503 1.00 0.00 H new ATOM 0 HD2 ARG A 518 7.808 6.947 9.362 1.00 0.00 H new ATOM 0 HD3 ARG A 518 7.461 8.551 9.978 1.00 0.00 H new ATOM 0 HE ARG A 518 6.353 8.359 7.339 1.00 0.00 H new ATOM 0 HH11 ARG A 518 6.025 7.078 10.589 1.00 0.00 H new ATOM 0 HH12 ARG A 518 4.293 6.767 10.432 1.00 0.00 H new ATOM 0 HH21 ARG A 518 4.125 7.954 7.148 1.00 0.00 H new ATOM 0 HH22 ARG A 518 3.227 7.259 8.501 1.00 0.00 H new ATOM 342 N GLU A 519 9.112 7.493 4.175 1.00 0.00 N ATOM 343 CA GLU A 519 9.007 8.344 2.994 1.00 0.00 C ATOM 344 C GLU A 519 7.536 8.605 2.665 1.00 0.00 C ATOM 345 O GLU A 519 6.888 7.805 1.990 1.00 0.00 O ATOM 346 CB GLU A 519 9.724 7.665 1.801 1.00 0.00 C ATOM 347 CG GLU A 519 10.709 8.637 1.137 1.00 0.00 C ATOM 348 CD GLU A 519 9.962 9.834 0.562 1.00 0.00 C ATOM 349 OE1 GLU A 519 8.926 10.180 1.105 1.00 0.00 O ATOM 350 OE2 GLU A 519 10.438 10.391 -0.415 1.00 0.00 O ATOM 0 H GLU A 519 9.768 6.717 4.083 1.00 0.00 H new ATOM 0 HA GLU A 519 9.487 9.302 3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 519 10.257 6.779 2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 519 8.988 7.330 1.071 1.00 0.00 H new ATOM 0 HG2 GLU A 519 11.445 8.975 1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 519 11.257 8.126 0.345 1.00 0.00 H new ATOM 357 N ARG A 520 7.020 9.727 3.147 1.00 0.00 N ATOM 358 CA ARG A 520 5.628 10.087 2.904 1.00 0.00 C ATOM 359 C ARG A 520 5.361 10.235 1.409 1.00 0.00 C ATOM 360 O ARG A 520 4.223 10.105 0.957 1.00 0.00 O ATOM 361 CB ARG A 520 5.293 11.397 3.618 1.00 0.00 C ATOM 362 CG ARG A 520 5.200 11.148 5.127 1.00 0.00 C ATOM 363 CD ARG A 520 5.036 12.481 5.856 1.00 0.00 C ATOM 364 NE ARG A 520 6.290 13.223 5.839 1.00 0.00 N ATOM 365 CZ ARG A 520 6.454 14.313 6.583 1.00 0.00 C ATOM 366 NH1 ARG A 520 5.483 14.736 7.344 1.00 0.00 N ATOM 367 NH2 ARG A 520 7.587 14.962 6.552 1.00 0.00 N ATOM 0 H ARG A 520 7.541 10.402 3.707 1.00 0.00 H new ATOM 0 HA ARG A 520 4.996 9.290 3.295 1.00 0.00 H new ATOM 0 HB2 ARG A 520 6.059 12.144 3.409 1.00 0.00 H new ATOM 0 HB3 ARG A 520 4.349 11.795 3.246 1.00 0.00 H new ATOM 0 HG2 ARG A 520 4.355 10.495 5.347 1.00 0.00 H new ATOM 0 HG3 ARG A 520 6.097 10.638 5.478 1.00 0.00 H new ATOM 0 HD2 ARG A 520 4.251 13.069 5.381 1.00 0.00 H new ATOM 0 HD3 ARG A 520 4.724 12.305 6.885 1.00 0.00 H new ATOM 0 HE ARG A 520 7.055 12.901 5.246 1.00 0.00 H new ATOM 0 HH11 ARG A 520 4.597 14.231 7.369 1.00 0.00 H new ATOM 0 HH12 ARG A 520 5.609 15.572 7.914 1.00 0.00 H new ATOM 0 HH21 ARG A 520 8.347 14.633 5.957 1.00 0.00 H new ATOM 0 HH22 ARG A 520 7.712 15.798 7.123 1.00 0.00 H new ATOM 381 N HIS A 521 6.414 10.510 0.647 1.00 0.00 N ATOM 382 CA HIS A 521 6.277 10.676 -0.795 1.00 0.00 C ATOM 383 C HIS A 521 5.765 9.392 -1.440 1.00 0.00 C ATOM 384 O HIS A 521 5.043 9.435 -2.433 1.00 0.00 O ATOM 385 CB HIS A 521 7.624 11.053 -1.413 1.00 0.00 C ATOM 386 CG HIS A 521 7.421 11.481 -2.839 1.00 0.00 C ATOM 387 ND1 HIS A 521 7.930 10.759 -3.907 1.00 0.00 N ATOM 388 CD2 HIS A 521 6.766 12.554 -3.392 1.00 0.00 C ATOM 389 CE1 HIS A 521 7.577 11.399 -5.036 1.00 0.00 C ATOM 390 NE2 HIS A 521 6.867 12.501 -4.779 1.00 0.00 N ATOM 0 H HIS A 521 7.364 10.622 1.000 1.00 0.00 H new ATOM 0 HA HIS A 521 5.557 11.474 -0.977 1.00 0.00 H new ATOM 0 HB2 HIS A 521 8.084 11.860 -0.842 1.00 0.00 H new ATOM 0 HB3 HIS A 521 8.306 10.203 -1.371 1.00 0.00 H new ATOM 0 HD2 HIS A 521 6.251 13.322 -2.835 1.00 0.00 H new ATOM 0 HE1 HIS A 521 7.836 11.063 -6.029 1.00 0.00 H new ATOM 0 HE2 HIS A 521 6.482 13.161 -5.454 1.00 0.00 H new ATOM 399 N ILE A 522 6.152 8.249 -0.875 1.00 0.00 N ATOM 400 CA ILE A 522 5.730 6.953 -1.410 1.00 0.00 C ATOM 401 C ILE A 522 4.374 6.546 -0.818 1.00 0.00 C ATOM 402 O ILE A 522 3.455 6.183 -1.550 1.00 0.00 O ATOM 403 CB ILE A 522 6.813 5.890 -1.101 1.00 0.00 C ATOM 404 CG1 ILE A 522 7.890 5.898 -2.201 1.00 0.00 C ATOM 405 CG2 ILE A 522 6.192 4.488 -1.039 1.00 0.00 C ATOM 406 CD1 ILE A 522 8.387 7.325 -2.451 1.00 0.00 C ATOM 0 H ILE A 522 6.753 8.192 -0.053 1.00 0.00 H new ATOM 0 HA ILE A 522 5.612 7.029 -2.491 1.00 0.00 H new ATOM 0 HB ILE A 522 7.259 6.135 -0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 522 8.725 5.262 -1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 522 7.482 5.482 -3.122 1.00 0.00 H new ATOM 0 HG21 ILE A 522 6.969 3.755 -0.821 1.00 0.00 H new ATOM 0 HG22 ILE A 522 5.436 4.459 -0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 522 5.730 4.252 -1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 522 9.148 7.314 -3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 522 7.552 7.951 -2.767 1.00 0.00 H new ATOM 0 HD13 ILE A 522 8.815 7.727 -1.533 1.00 0.00 H new ATOM 418 N LEU A 523 4.262 6.598 0.507 1.00 0.00 N ATOM 419 CA LEU A 523 3.015 6.218 1.166 1.00 0.00 C ATOM 420 C LEU A 523 1.825 6.878 0.481 1.00 0.00 C ATOM 421 O LEU A 523 0.724 6.340 0.487 1.00 0.00 O ATOM 422 CB LEU A 523 3.040 6.625 2.644 1.00 0.00 C ATOM 423 CG LEU A 523 4.303 6.080 3.317 1.00 0.00 C ATOM 424 CD1 LEU A 523 4.369 6.596 4.757 1.00 0.00 C ATOM 425 CD2 LEU A 523 4.275 4.544 3.325 1.00 0.00 C ATOM 0 H LEU A 523 5.007 6.895 1.137 1.00 0.00 H new ATOM 0 HA LEU A 523 2.915 5.135 1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 523 3.012 7.711 2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 523 2.154 6.242 3.150 1.00 0.00 H new ATOM 0 HG LEU A 523 5.179 6.416 2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 523 5.267 6.211 5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 523 4.399 7.686 4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 523 3.489 6.259 5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 523 5.177 4.166 3.806 1.00 0.00 H new ATOM 0 HD22 LEU A 523 3.399 4.199 3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 523 4.228 4.176 2.300 1.00 0.00 H new ATOM 437 N GLN A 524 2.045 8.040 -0.115 1.00 0.00 N ATOM 438 CA GLN A 524 0.959 8.734 -0.796 1.00 0.00 C ATOM 439 C GLN A 524 0.665 8.070 -2.137 1.00 0.00 C ATOM 440 O GLN A 524 -0.493 7.900 -2.517 1.00 0.00 O ATOM 441 CB GLN A 524 1.328 10.202 -1.017 1.00 0.00 C ATOM 442 CG GLN A 524 0.080 10.982 -1.437 1.00 0.00 C ATOM 443 CD GLN A 524 -0.868 11.128 -0.252 1.00 0.00 C ATOM 444 OE1 GLN A 524 -2.084 11.024 -0.413 1.00 0.00 O ATOM 445 NE2 GLN A 524 -0.381 11.366 0.936 1.00 0.00 N ATOM 0 H GLN A 524 2.947 8.516 -0.143 1.00 0.00 H new ATOM 0 HA GLN A 524 0.068 8.680 -0.171 1.00 0.00 H new ATOM 0 HB2 GLN A 524 1.744 10.625 -0.103 1.00 0.00 H new ATOM 0 HB3 GLN A 524 2.097 10.284 -1.785 1.00 0.00 H new ATOM 0 HG2 GLN A 524 0.365 11.966 -1.809 1.00 0.00 H new ATOM 0 HG3 GLN A 524 -0.423 10.466 -2.254 1.00 0.00 H new ATOM 0 HE21 GLN A 524 0.627 11.452 1.066 1.00 0.00 H new ATOM 0 HE22 GLN A 524 -1.009 11.466 1.734 1.00 0.00 H new ATOM 454 N GLN A 525 1.723 7.695 -2.846 1.00 0.00 N ATOM 455 CA GLN A 525 1.574 7.047 -4.146 1.00 0.00 C ATOM 456 C GLN A 525 0.918 5.678 -3.992 1.00 0.00 C ATOM 457 O GLN A 525 -0.095 5.389 -4.628 1.00 0.00 O ATOM 458 CB GLN A 525 2.945 6.876 -4.803 1.00 0.00 C ATOM 459 CG GLN A 525 3.628 8.239 -4.947 1.00 0.00 C ATOM 460 CD GLN A 525 3.041 8.999 -6.131 1.00 0.00 C ATOM 461 OE1 GLN A 525 3.618 8.997 -7.219 1.00 0.00 O ATOM 462 NE2 GLN A 525 1.922 9.654 -5.983 1.00 0.00 N ATOM 0 H GLN A 525 2.689 7.827 -2.546 1.00 0.00 H new ATOM 0 HA GLN A 525 0.941 7.676 -4.772 1.00 0.00 H new ATOM 0 HB2 GLN A 525 3.565 6.210 -4.203 1.00 0.00 H new ATOM 0 HB3 GLN A 525 2.833 6.410 -5.782 1.00 0.00 H new ATOM 0 HG2 GLN A 525 3.497 8.818 -4.033 1.00 0.00 H new ATOM 0 HG3 GLN A 525 4.700 8.104 -5.088 1.00 0.00 H new ATOM 0 HE21 GLN A 525 1.446 9.654 -5.081 1.00 0.00 H new ATOM 0 HE22 GLN A 525 1.523 10.166 -6.770 1.00 0.00 H new ATOM 471 N ILE A 526 1.505 4.842 -3.144 1.00 0.00 N ATOM 472 CA ILE A 526 0.971 3.506 -2.911 1.00 0.00 C ATOM 473 C ILE A 526 -0.492 3.585 -2.495 1.00 0.00 C ATOM 474 O ILE A 526 -1.367 3.021 -3.152 1.00 0.00 O ATOM 475 CB ILE A 526 1.786 2.802 -1.821 1.00 0.00 C ATOM 476 CG1 ILE A 526 3.193 2.519 -2.358 1.00 0.00 C ATOM 477 CG2 ILE A 526 1.108 1.483 -1.429 1.00 0.00 C ATOM 478 CD1 ILE A 526 4.104 2.070 -1.215 1.00 0.00 C ATOM 0 H ILE A 526 2.345 5.063 -2.610 1.00 0.00 H new ATOM 0 HA ILE A 526 1.041 2.935 -3.837 1.00 0.00 H new ATOM 0 HB ILE A 526 1.847 3.441 -0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 526 3.150 1.747 -3.126 1.00 0.00 H new ATOM 0 HG13 ILE A 526 3.599 3.414 -2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 526 1.694 0.989 -0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 526 0.106 1.687 -1.052 1.00 0.00 H new ATOM 0 HG23 ILE A 526 1.042 0.834 -2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 526 5.103 1.870 -1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 526 4.158 2.856 -0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 526 3.702 1.163 -0.764 1.00 0.00 H new ATOM 490 N VAL A 527 -0.747 4.278 -1.391 1.00 0.00 N ATOM 491 CA VAL A 527 -2.106 4.410 -0.882 1.00 0.00 C ATOM 492 C VAL A 527 -3.086 4.675 -2.026 1.00 0.00 C ATOM 493 O VAL A 527 -3.975 3.868 -2.290 1.00 0.00 O ATOM 494 CB VAL A 527 -2.162 5.561 0.137 1.00 0.00 C ATOM 495 CG1 VAL A 527 -3.619 5.892 0.481 1.00 0.00 C ATOM 496 CG2 VAL A 527 -1.421 5.157 1.422 1.00 0.00 C ATOM 0 H VAL A 527 -0.036 4.754 -0.835 1.00 0.00 H new ATOM 0 HA VAL A 527 -2.393 3.478 -0.394 1.00 0.00 H new ATOM 0 HB VAL A 527 -1.686 6.438 -0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 527 -3.646 6.708 1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 527 -4.148 6.191 -0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 527 -4.101 5.013 0.909 1.00 0.00 H new ATOM 0 HG21 VAL A 527 -1.464 5.976 2.140 1.00 0.00 H new ATOM 0 HG22 VAL A 527 -1.893 4.273 1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 527 -0.380 4.935 1.187 1.00 0.00 H new ATOM 506 N ASN A 528 -2.911 5.806 -2.701 1.00 0.00 N ATOM 507 CA ASN A 528 -3.780 6.167 -3.816 1.00 0.00 C ATOM 508 C ASN A 528 -3.885 5.028 -4.830 1.00 0.00 C ATOM 509 O ASN A 528 -4.861 4.943 -5.576 1.00 0.00 O ATOM 510 CB ASN A 528 -3.232 7.415 -4.512 1.00 0.00 C ATOM 511 CG ASN A 528 -3.327 8.615 -3.578 1.00 0.00 C ATOM 512 OD1 ASN A 528 -3.777 8.482 -2.438 1.00 0.00 O ATOM 513 ND2 ASN A 528 -2.931 9.786 -3.992 1.00 0.00 N ATOM 0 H ASN A 528 -2.179 6.486 -2.497 1.00 0.00 H new ATOM 0 HA ASN A 528 -4.775 6.366 -3.418 1.00 0.00 H new ATOM 0 HB2 ASN A 528 -2.195 7.253 -4.805 1.00 0.00 H new ATOM 0 HB3 ASN A 528 -3.794 7.609 -5.425 1.00 0.00 H new ATOM 0 HD21 ASN A 528 -2.993 10.594 -3.372 1.00 0.00 H new ATOM 0 HD22 ASN A 528 -2.559 9.894 -4.936 1.00 0.00 H new ATOM 520 N LEU A 529 -2.876 4.162 -4.864 1.00 0.00 N ATOM 521 CA LEU A 529 -2.879 3.048 -5.807 1.00 0.00 C ATOM 522 C LEU A 529 -3.886 1.983 -5.372 1.00 0.00 C ATOM 523 O LEU A 529 -4.851 1.700 -6.082 1.00 0.00 O ATOM 524 CB LEU A 529 -1.467 2.439 -5.902 1.00 0.00 C ATOM 525 CG LEU A 529 -1.253 1.753 -7.266 1.00 0.00 C ATOM 526 CD1 LEU A 529 -2.367 0.728 -7.514 1.00 0.00 C ATOM 527 CD2 LEU A 529 -1.236 2.795 -8.407 1.00 0.00 C ATOM 0 H LEU A 529 -2.056 4.208 -4.258 1.00 0.00 H new ATOM 0 HA LEU A 529 -3.173 3.419 -6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 529 -0.720 3.220 -5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 529 -1.325 1.715 -5.100 1.00 0.00 H new ATOM 0 HG LEU A 529 -0.289 1.244 -7.249 1.00 0.00 H new ATOM 0 HD11 LEU A 529 -2.210 0.247 -8.479 1.00 0.00 H new ATOM 0 HD12 LEU A 529 -2.351 -0.025 -6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 529 -3.333 1.233 -7.513 1.00 0.00 H new ATOM 0 HD21 LEU A 529 -1.084 2.288 -9.360 1.00 0.00 H new ATOM 0 HD22 LEU A 529 -2.187 3.328 -8.427 1.00 0.00 H new ATOM 0 HD23 LEU A 529 -0.426 3.505 -8.240 1.00 0.00 H new ATOM 539 N ILE A 530 -3.645 1.393 -4.210 1.00 0.00 N ATOM 540 CA ILE A 530 -4.520 0.350 -3.692 1.00 0.00 C ATOM 541 C ILE A 530 -5.871 0.921 -3.264 1.00 0.00 C ATOM 542 O ILE A 530 -6.838 0.190 -3.058 1.00 0.00 O ATOM 543 CB ILE A 530 -3.842 -0.373 -2.526 1.00 0.00 C ATOM 544 CG1 ILE A 530 -3.532 0.613 -1.375 1.00 0.00 C ATOM 545 CG2 ILE A 530 -2.536 -0.991 -3.029 1.00 0.00 C ATOM 546 CD1 ILE A 530 -3.461 -0.148 -0.044 1.00 0.00 C ATOM 0 H ILE A 530 -2.852 1.618 -3.609 1.00 0.00 H new ATOM 0 HA ILE A 530 -4.706 -0.368 -4.491 1.00 0.00 H new ATOM 0 HB ILE A 530 -4.511 -1.146 -2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 530 -2.587 1.122 -1.564 1.00 0.00 H new ATOM 0 HG13 ILE A 530 -4.303 1.382 -1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 530 -2.040 -1.511 -2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 530 -2.753 -1.699 -3.829 1.00 0.00 H new ATOM 0 HG23 ILE A 530 -1.883 -0.204 -3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 530 -3.242 0.551 0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 530 -4.417 -0.636 0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 530 -2.673 -0.900 -0.096 1.00 0.00 H new ATOM 558 N GLU A 531 -5.918 2.240 -3.145 1.00 0.00 N ATOM 559 CA GLU A 531 -7.152 2.912 -2.759 1.00 0.00 C ATOM 560 C GLU A 531 -8.113 2.917 -3.944 1.00 0.00 C ATOM 561 O GLU A 531 -9.281 2.551 -3.812 1.00 0.00 O ATOM 562 CB GLU A 531 -6.871 4.349 -2.316 1.00 0.00 C ATOM 563 CG GLU A 531 -8.158 4.997 -1.791 1.00 0.00 C ATOM 564 CD GLU A 531 -9.038 5.447 -2.955 1.00 0.00 C ATOM 565 OE1 GLU A 531 -8.614 6.324 -3.689 1.00 0.00 O ATOM 566 OE2 GLU A 531 -10.123 4.905 -3.095 1.00 0.00 O ATOM 0 H GLU A 531 -5.126 2.861 -3.308 1.00 0.00 H new ATOM 0 HA GLU A 531 -7.598 2.376 -1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 531 -6.107 4.356 -1.538 1.00 0.00 H new ATOM 0 HB3 GLU A 531 -6.479 4.926 -3.153 1.00 0.00 H new ATOM 0 HG2 GLU A 531 -8.702 4.287 -1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 531 -7.912 5.852 -1.161 1.00 0.00 H new ATOM 573 N GLU A 532 -7.611 3.332 -5.104 1.00 0.00 N ATOM 574 CA GLU A 532 -8.431 3.377 -6.311 1.00 0.00 C ATOM 575 C GLU A 532 -8.946 1.984 -6.663 1.00 0.00 C ATOM 576 O GLU A 532 -10.010 1.837 -7.265 1.00 0.00 O ATOM 577 CB GLU A 532 -7.611 3.933 -7.477 1.00 0.00 C ATOM 578 CG GLU A 532 -7.396 5.436 -7.280 1.00 0.00 C ATOM 579 CD GLU A 532 -8.697 6.188 -7.537 1.00 0.00 C ATOM 580 OE1 GLU A 532 -9.061 6.323 -8.694 1.00 0.00 O ATOM 581 OE2 GLU A 532 -9.310 6.617 -6.573 1.00 0.00 O ATOM 0 H GLU A 532 -6.647 3.640 -5.234 1.00 0.00 H new ATOM 0 HA GLU A 532 -9.285 4.029 -6.125 1.00 0.00 H new ATOM 0 HB2 GLU A 532 -6.650 3.422 -7.536 1.00 0.00 H new ATOM 0 HB3 GLU A 532 -8.128 3.749 -8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 532 -7.048 5.632 -6.266 1.00 0.00 H new ATOM 0 HG3 GLU A 532 -6.620 5.793 -7.958 1.00 0.00 H new ATOM 588 N THR A 533 -8.179 0.966 -6.285 1.00 0.00 N ATOM 589 CA THR A 533 -8.566 -0.413 -6.567 1.00 0.00 C ATOM 590 C THR A 533 -9.771 -0.812 -5.720 1.00 0.00 C ATOM 591 O THR A 533 -10.753 -1.349 -6.233 1.00 0.00 O ATOM 592 CB THR A 533 -7.399 -1.364 -6.293 1.00 0.00 C ATOM 593 OG1 THR A 533 -6.908 -1.146 -4.980 1.00 0.00 O ATOM 594 CG2 THR A 533 -6.283 -1.111 -7.306 1.00 0.00 C ATOM 0 H THR A 533 -7.294 1.067 -5.787 1.00 0.00 H new ATOM 0 HA THR A 533 -8.837 -0.483 -7.621 1.00 0.00 H new ATOM 0 HB THR A 533 -7.743 -2.394 -6.385 1.00 0.00 H new ATOM 0 HG1 THR A 533 -7.323 -0.341 -4.605 1.00 0.00 H new ATOM 0 HG21 THR A 533 -5.453 -1.789 -7.109 1.00 0.00 H new ATOM 0 HG22 THR A 533 -6.661 -1.283 -8.314 1.00 0.00 H new ATOM 0 HG23 THR A 533 -5.939 -0.081 -7.218 1.00 0.00 H new ATOM 602 N GLY A 534 -9.689 -0.544 -4.415 1.00 0.00 N ATOM 603 CA GLY A 534 -10.777 -0.873 -3.489 1.00 0.00 C ATOM 604 C GLY A 534 -10.338 -1.934 -2.485 1.00 0.00 C ATOM 605 O GLY A 534 -11.043 -2.213 -1.516 1.00 0.00 O ATOM 0 H GLY A 534 -8.882 -0.101 -3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 534 -11.093 0.026 -2.959 1.00 0.00 H new ATOM 0 HA3 GLY A 534 -11.640 -1.232 -4.049 1.00 0.00 H new ATOM 609 N HIS A 535 -9.175 -2.528 -2.728 1.00 0.00 N ATOM 610 CA HIS A 535 -8.658 -3.566 -1.844 1.00 0.00 C ATOM 611 C HIS A 535 -8.097 -2.966 -0.555 1.00 0.00 C ATOM 612 O HIS A 535 -6.937 -3.197 -0.214 1.00 0.00 O ATOM 613 CB HIS A 535 -7.557 -4.351 -2.557 1.00 0.00 C ATOM 614 CG HIS A 535 -8.061 -4.824 -3.892 1.00 0.00 C ATOM 615 ND1 HIS A 535 -7.233 -4.934 -4.999 1.00 0.00 N ATOM 616 CD2 HIS A 535 -9.306 -5.220 -4.315 1.00 0.00 C ATOM 617 CE1 HIS A 535 -7.981 -5.379 -6.023 1.00 0.00 C ATOM 618 NE2 HIS A 535 -9.253 -5.571 -5.661 1.00 0.00 N ATOM 0 H HIS A 535 -8.576 -2.311 -3.524 1.00 0.00 H new ATOM 0 HA HIS A 535 -9.482 -4.231 -1.586 1.00 0.00 H new ATOM 0 HB2 HIS A 535 -6.676 -3.723 -2.691 1.00 0.00 H new ATOM 0 HB3 HIS A 535 -7.251 -5.203 -1.949 1.00 0.00 H new ATOM 0 HD2 HIS A 535 -10.191 -5.254 -3.697 1.00 0.00 H new ATOM 0 HE1 HIS A 535 -7.600 -5.559 -7.017 1.00 0.00 H new ATOM 0 HE2 HIS A 535 -10.020 -5.903 -6.245 1.00 0.00 H new ATOM 627 N PHE A 536 -8.918 -2.197 0.159 1.00 0.00 N ATOM 628 CA PHE A 536 -8.475 -1.575 1.410 1.00 0.00 C ATOM 629 C PHE A 536 -9.636 -1.448 2.396 1.00 0.00 C ATOM 630 O PHE A 536 -10.803 -1.462 2.007 1.00 0.00 O ATOM 631 CB PHE A 536 -7.883 -0.191 1.120 1.00 0.00 C ATOM 632 CG PHE A 536 -8.988 0.778 0.767 1.00 0.00 C ATOM 633 CD1 PHE A 536 -9.666 1.461 1.780 1.00 0.00 C ATOM 634 CD2 PHE A 536 -9.329 0.995 -0.571 1.00 0.00 C ATOM 635 CE1 PHE A 536 -10.685 2.363 1.458 1.00 0.00 C ATOM 636 CE2 PHE A 536 -10.350 1.897 -0.897 1.00 0.00 C ATOM 637 CZ PHE A 536 -11.028 2.581 0.118 1.00 0.00 C ATOM 0 H PHE A 536 -9.882 -1.990 -0.101 1.00 0.00 H new ATOM 0 HA PHE A 536 -7.711 -2.210 1.859 1.00 0.00 H new ATOM 0 HB2 PHE A 536 -7.336 0.170 1.991 1.00 0.00 H new ATOM 0 HB3 PHE A 536 -7.169 -0.256 0.299 1.00 0.00 H new ATOM 0 HD1 PHE A 536 -9.403 1.292 2.814 1.00 0.00 H new ATOM 0 HD2 PHE A 536 -8.805 0.467 -1.354 1.00 0.00 H new ATOM 0 HE1 PHE A 536 -11.207 2.891 2.242 1.00 0.00 H new ATOM 0 HE2 PHE A 536 -10.614 2.064 -1.931 1.00 0.00 H new ATOM 0 HZ PHE A 536 -11.815 3.277 -0.132 1.00 0.00 H new ATOM 647 N HIS A 537 -9.297 -1.313 3.679 1.00 0.00 N ATOM 648 CA HIS A 537 -10.302 -1.167 4.734 1.00 0.00 C ATOM 649 C HIS A 537 -9.837 -0.138 5.763 1.00 0.00 C ATOM 650 O HIS A 537 -9.040 -0.448 6.648 1.00 0.00 O ATOM 651 CB HIS A 537 -10.533 -2.515 5.424 1.00 0.00 C ATOM 652 CG HIS A 537 -10.600 -3.603 4.387 1.00 0.00 C ATOM 653 ND1 HIS A 537 -9.480 -4.323 3.998 1.00 0.00 N ATOM 654 CD2 HIS A 537 -11.643 -4.105 3.650 1.00 0.00 C ATOM 655 CE1 HIS A 537 -9.873 -5.211 3.067 1.00 0.00 C ATOM 656 NE2 HIS A 537 -11.183 -5.121 2.818 1.00 0.00 N ATOM 0 H HIS A 537 -8.333 -1.302 4.013 1.00 0.00 H new ATOM 0 HA HIS A 537 -11.235 -0.827 4.286 1.00 0.00 H new ATOM 0 HB2 HIS A 537 -9.726 -2.718 6.128 1.00 0.00 H new ATOM 0 HB3 HIS A 537 -11.459 -2.488 5.999 1.00 0.00 H new ATOM 0 HD2 HIS A 537 -12.666 -3.763 3.707 1.00 0.00 H new ATOM 0 HE1 HIS A 537 -9.211 -5.911 2.580 1.00 0.00 H new ATOM 0 HE2 HIS A 537 -11.728 -5.677 2.160 1.00 0.00 H new ATOM 665 N ILE A 538 -10.359 1.084 5.651 1.00 0.00 N ATOM 666 CA ILE A 538 -10.006 2.148 6.590 1.00 0.00 C ATOM 667 C ILE A 538 -10.869 2.027 7.847 1.00 0.00 C ATOM 668 O ILE A 538 -12.080 1.821 7.764 1.00 0.00 O ATOM 669 CB ILE A 538 -10.206 3.526 5.925 1.00 0.00 C ATOM 670 CG1 ILE A 538 -9.034 3.804 4.977 1.00 0.00 C ATOM 671 CG2 ILE A 538 -10.257 4.634 6.986 1.00 0.00 C ATOM 672 CD1 ILE A 538 -9.354 5.002 4.072 1.00 0.00 C ATOM 0 H ILE A 538 -11.022 1.360 4.926 1.00 0.00 H new ATOM 0 HA ILE A 538 -8.957 2.051 6.872 1.00 0.00 H new ATOM 0 HB ILE A 538 -11.147 3.515 5.375 1.00 0.00 H new ATOM 0 HG12 ILE A 538 -8.131 4.006 5.553 1.00 0.00 H new ATOM 0 HG13 ILE A 538 -8.833 2.923 4.368 1.00 0.00 H new ATOM 0 HG21 ILE A 538 -10.398 5.599 6.498 1.00 0.00 H new ATOM 0 HG22 ILE A 538 -11.087 4.447 7.668 1.00 0.00 H new ATOM 0 HG23 ILE A 538 -9.322 4.644 7.546 1.00 0.00 H new ATOM 0 HD11 ILE A 538 -8.513 5.188 3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 538 -10.245 4.785 3.482 1.00 0.00 H new ATOM 0 HD13 ILE A 538 -9.532 5.885 4.686 1.00 0.00 H new ATOM 684 N THR A 539 -10.230 2.148 9.006 1.00 0.00 N ATOM 685 CA THR A 539 -10.930 2.043 10.289 1.00 0.00 C ATOM 686 C THR A 539 -11.234 3.426 10.857 1.00 0.00 C ATOM 687 O THR A 539 -11.245 4.419 10.129 1.00 0.00 O ATOM 688 CB THR A 539 -10.065 1.268 11.286 1.00 0.00 C ATOM 689 OG1 THR A 539 -8.950 2.063 11.661 1.00 0.00 O ATOM 690 CG2 THR A 539 -9.575 -0.029 10.637 1.00 0.00 C ATOM 0 H THR A 539 -9.228 2.319 9.087 1.00 0.00 H new ATOM 0 HA THR A 539 -11.870 1.517 10.124 1.00 0.00 H new ATOM 0 HB THR A 539 -10.655 1.029 12.171 1.00 0.00 H new ATOM 0 HG1 THR A 539 -8.476 1.633 12.403 1.00 0.00 H new ATOM 0 HG21 THR A 539 -8.959 -0.581 11.347 1.00 0.00 H new ATOM 0 HG22 THR A 539 -10.432 -0.638 10.350 1.00 0.00 H new ATOM 0 HG23 THR A 539 -8.985 0.208 9.752 1.00 0.00 H new ATOM 698 N ASN A 540 -11.481 3.480 12.164 1.00 0.00 N ATOM 699 CA ASN A 540 -11.786 4.746 12.830 1.00 0.00 C ATOM 700 C ASN A 540 -10.892 5.862 12.299 1.00 0.00 C ATOM 701 O ASN A 540 -11.363 6.778 11.624 1.00 0.00 O ATOM 702 CB ASN A 540 -11.584 4.605 14.339 1.00 0.00 C ATOM 703 CG ASN A 540 -12.035 5.878 15.046 1.00 0.00 C ATOM 704 OD1 ASN A 540 -12.058 5.933 16.275 1.00 0.00 O ATOM 705 ND2 ASN A 540 -12.397 6.912 14.337 1.00 0.00 N ATOM 0 H ASN A 540 -11.476 2.667 12.781 1.00 0.00 H new ATOM 0 HA ASN A 540 -12.826 5.000 12.624 1.00 0.00 H new ATOM 0 HB2 ASN A 540 -12.150 3.752 14.712 1.00 0.00 H new ATOM 0 HB3 ASN A 540 -10.534 4.410 14.557 1.00 0.00 H new ATOM 0 HD21 ASN A 540 -12.700 7.768 14.802 1.00 0.00 H new ATOM 0 HD22 ASN A 540 -12.377 6.864 13.318 1.00 0.00 H new ATOM 712 N THR A 541 -9.597 5.774 12.596 1.00 0.00 N ATOM 713 CA THR A 541 -8.643 6.779 12.132 1.00 0.00 C ATOM 714 C THR A 541 -7.286 6.139 11.854 1.00 0.00 C ATOM 715 O THR A 541 -6.347 6.285 12.633 1.00 0.00 O ATOM 716 CB THR A 541 -8.484 7.876 13.186 1.00 0.00 C ATOM 717 OG1 THR A 541 -7.291 8.605 12.932 1.00 0.00 O ATOM 718 CG2 THR A 541 -8.409 7.243 14.576 1.00 0.00 C ATOM 0 H THR A 541 -9.187 5.023 13.151 1.00 0.00 H new ATOM 0 HA THR A 541 -9.024 7.216 11.209 1.00 0.00 H new ATOM 0 HB THR A 541 -9.340 8.550 13.141 1.00 0.00 H new ATOM 0 HG1 THR A 541 -6.515 8.032 13.103 1.00 0.00 H new ATOM 0 HG21 THR A 541 -8.296 8.025 15.326 1.00 0.00 H new ATOM 0 HG22 THR A 541 -9.324 6.683 14.771 1.00 0.00 H new ATOM 0 HG23 THR A 541 -7.554 6.569 14.623 1.00 0.00 H new ATOM 726 N THR A 542 -7.199 5.444 10.725 1.00 0.00 N ATOM 727 CA THR A 542 -5.961 4.785 10.313 1.00 0.00 C ATOM 728 C THR A 542 -6.150 4.217 8.907 1.00 0.00 C ATOM 729 O THR A 542 -7.274 4.105 8.425 1.00 0.00 O ATOM 730 CB THR A 542 -5.588 3.656 11.313 1.00 0.00 C ATOM 731 OG1 THR A 542 -6.653 3.486 12.238 1.00 0.00 O ATOM 732 CG2 THR A 542 -4.306 4.011 12.082 1.00 0.00 C ATOM 0 H THR A 542 -7.975 5.321 10.074 1.00 0.00 H new ATOM 0 HA THR A 542 -5.145 5.508 10.307 1.00 0.00 H new ATOM 0 HB THR A 542 -5.417 2.735 10.755 1.00 0.00 H new ATOM 0 HG1 THR A 542 -7.390 3.007 11.804 1.00 0.00 H new ATOM 0 HG21 THR A 542 -4.064 3.207 12.776 1.00 0.00 H new ATOM 0 HG22 THR A 542 -3.484 4.143 11.378 1.00 0.00 H new ATOM 0 HG23 THR A 542 -4.459 4.936 12.638 1.00 0.00 H new ATOM 740 N PHE A 543 -5.047 3.851 8.258 1.00 0.00 N ATOM 741 CA PHE A 543 -5.105 3.284 6.908 1.00 0.00 C ATOM 742 C PHE A 543 -4.416 1.928 6.881 1.00 0.00 C ATOM 743 O PHE A 543 -3.190 1.843 6.826 1.00 0.00 O ATOM 744 CB PHE A 543 -4.424 4.231 5.924 1.00 0.00 C ATOM 745 CG PHE A 543 -4.407 3.610 4.549 1.00 0.00 C ATOM 746 CD1 PHE A 543 -5.539 3.690 3.735 1.00 0.00 C ATOM 747 CD2 PHE A 543 -3.260 2.961 4.085 1.00 0.00 C ATOM 748 CE1 PHE A 543 -5.526 3.126 2.456 1.00 0.00 C ATOM 749 CE2 PHE A 543 -3.245 2.392 2.806 1.00 0.00 C ATOM 750 CZ PHE A 543 -4.380 2.478 1.992 1.00 0.00 C ATOM 0 H PHE A 543 -4.105 3.935 8.641 1.00 0.00 H new ATOM 0 HA PHE A 543 -6.148 3.155 6.620 1.00 0.00 H new ATOM 0 HB2 PHE A 543 -4.952 5.184 5.897 1.00 0.00 H new ATOM 0 HB3 PHE A 543 -3.406 4.440 6.252 1.00 0.00 H new ATOM 0 HD1 PHE A 543 -6.427 4.189 4.095 1.00 0.00 H new ATOM 0 HD2 PHE A 543 -2.384 2.898 4.714 1.00 0.00 H new ATOM 0 HE1 PHE A 543 -6.402 3.192 1.827 1.00 0.00 H new ATOM 0 HE2 PHE A 543 -2.359 1.888 2.448 1.00 0.00 H new ATOM 0 HZ PHE A 543 -4.369 2.043 1.004 1.00 0.00 H new ATOM 760 N ASP A 544 -5.217 0.864 6.925 1.00 0.00 N ATOM 761 CA ASP A 544 -4.685 -0.499 6.914 1.00 0.00 C ATOM 762 C ASP A 544 -4.907 -1.159 5.557 1.00 0.00 C ATOM 763 O ASP A 544 -5.948 -0.973 4.926 1.00 0.00 O ATOM 764 CB ASP A 544 -5.377 -1.329 7.996 1.00 0.00 C ATOM 765 CG ASP A 544 -4.794 -2.738 8.025 1.00 0.00 C ATOM 766 OD1 ASP A 544 -3.759 -2.918 8.645 1.00 0.00 O ATOM 767 OD2 ASP A 544 -5.392 -3.617 7.426 1.00 0.00 O ATOM 0 H ASP A 544 -6.235 0.919 6.969 1.00 0.00 H new ATOM 0 HA ASP A 544 -3.614 -0.450 7.109 1.00 0.00 H new ATOM 0 HB2 ASP A 544 -5.249 -0.853 8.968 1.00 0.00 H new ATOM 0 HB3 ASP A 544 -6.449 -1.374 7.802 1.00 0.00 H new ATOM 772 N PHE A 545 -3.922 -1.940 5.121 1.00 0.00 N ATOM 773 CA PHE A 545 -4.014 -2.641 3.844 1.00 0.00 C ATOM 774 C PHE A 545 -3.134 -3.888 3.870 1.00 0.00 C ATOM 775 O PHE A 545 -2.107 -3.907 4.549 1.00 0.00 O ATOM 776 CB PHE A 545 -3.588 -1.723 2.694 1.00 0.00 C ATOM 777 CG PHE A 545 -2.121 -1.382 2.814 1.00 0.00 C ATOM 778 CD1 PHE A 545 -1.713 -0.331 3.643 1.00 0.00 C ATOM 779 CD2 PHE A 545 -1.172 -2.106 2.084 1.00 0.00 C ATOM 780 CE1 PHE A 545 -0.354 -0.005 3.744 1.00 0.00 C ATOM 781 CE2 PHE A 545 0.186 -1.783 2.185 1.00 0.00 C ATOM 782 CZ PHE A 545 0.595 -0.732 3.014 1.00 0.00 C ATOM 0 H PHE A 545 -3.054 -2.103 5.631 1.00 0.00 H new ATOM 0 HA PHE A 545 -5.051 -2.938 3.684 1.00 0.00 H new ATOM 0 HB2 PHE A 545 -3.778 -2.213 1.739 1.00 0.00 H new ATOM 0 HB3 PHE A 545 -4.183 -0.810 2.708 1.00 0.00 H new ATOM 0 HD1 PHE A 545 -2.446 0.229 4.205 1.00 0.00 H new ATOM 0 HD2 PHE A 545 -1.488 -2.915 1.442 1.00 0.00 H new ATOM 0 HE1 PHE A 545 -0.039 0.806 4.384 1.00 0.00 H new ATOM 0 HE2 PHE A 545 0.918 -2.344 1.624 1.00 0.00 H new ATOM 0 HZ PHE A 545 1.643 -0.481 3.091 1.00 0.00 H new ATOM 792 N ASP A 546 -3.521 -4.928 3.133 1.00 0.00 N ATOM 793 CA ASP A 546 -2.733 -6.165 3.091 1.00 0.00 C ATOM 794 C ASP A 546 -1.948 -6.247 1.785 1.00 0.00 C ATOM 795 O ASP A 546 -2.455 -5.898 0.718 1.00 0.00 O ATOM 796 CB ASP A 546 -3.659 -7.377 3.207 1.00 0.00 C ATOM 797 CG ASP A 546 -4.191 -7.494 4.632 1.00 0.00 C ATOM 798 OD1 ASP A 546 -3.628 -6.860 5.509 1.00 0.00 O ATOM 799 OD2 ASP A 546 -5.153 -8.218 4.827 1.00 0.00 O ATOM 0 H ASP A 546 -4.366 -4.943 2.561 1.00 0.00 H new ATOM 0 HA ASP A 546 -2.034 -6.162 3.927 1.00 0.00 H new ATOM 0 HB2 ASP A 546 -4.489 -7.279 2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 546 -3.119 -8.284 2.936 1.00 0.00 H new ATOM 804 N LEU A 547 -0.705 -6.708 1.879 1.00 0.00 N ATOM 805 CA LEU A 547 0.152 -6.831 0.704 1.00 0.00 C ATOM 806 C LEU A 547 -0.318 -7.988 -0.177 1.00 0.00 C ATOM 807 O LEU A 547 -0.031 -8.027 -1.373 1.00 0.00 O ATOM 808 CB LEU A 547 1.602 -7.090 1.143 1.00 0.00 C ATOM 809 CG LEU A 547 2.260 -5.807 1.692 1.00 0.00 C ATOM 810 CD1 LEU A 547 2.634 -4.856 0.543 1.00 0.00 C ATOM 811 CD2 LEU A 547 1.309 -5.091 2.654 1.00 0.00 C ATOM 0 H LEU A 547 -0.269 -7.002 2.753 1.00 0.00 H new ATOM 0 HA LEU A 547 0.098 -5.902 0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.619 -7.866 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.179 -7.464 0.297 1.00 0.00 H new ATOM 0 HG LEU A 547 3.166 -6.094 2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 547 3.097 -3.957 0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 547 3.335 -5.353 -0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 547 1.735 -4.583 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 547 1.787 -4.188 3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 547 0.393 -4.823 2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 547 1.069 -5.752 3.487 1.00 0.00 H new ATOM 823 N CYS A 548 -1.036 -8.928 0.427 1.00 0.00 N ATOM 824 CA CYS A 548 -1.541 -10.085 -0.301 1.00 0.00 C ATOM 825 C CYS A 548 -2.765 -9.707 -1.128 1.00 0.00 C ATOM 826 O CYS A 548 -3.231 -10.486 -1.959 1.00 0.00 O ATOM 827 CB CYS A 548 -1.906 -11.202 0.686 1.00 0.00 C ATOM 828 SG CYS A 548 -0.401 -12.053 1.221 1.00 0.00 S ATOM 0 H CYS A 548 -1.281 -8.911 1.417 1.00 0.00 H new ATOM 0 HA CYS A 548 -0.761 -10.438 -0.976 1.00 0.00 H new ATOM 0 HB2 CYS A 548 -2.426 -10.784 1.548 1.00 0.00 H new ATOM 0 HB3 CYS A 548 -2.588 -11.909 0.215 1.00 0.00 H new ATOM 0 HG CYS A 548 -0.721 -13.134 1.868 1.00 0.00 H new ATOM 834 N SER A 549 -3.284 -8.507 -0.890 1.00 0.00 N ATOM 835 CA SER A 549 -4.462 -8.029 -1.611 1.00 0.00 C ATOM 836 C SER A 549 -4.060 -7.271 -2.875 1.00 0.00 C ATOM 837 O SER A 549 -4.905 -6.706 -3.568 1.00 0.00 O ATOM 838 CB SER A 549 -5.283 -7.109 -0.707 1.00 0.00 C ATOM 839 OG SER A 549 -4.773 -5.785 -0.797 1.00 0.00 O ATOM 0 H SER A 549 -2.910 -7.849 -0.206 1.00 0.00 H new ATOM 0 HA SER A 549 -5.059 -8.894 -1.900 1.00 0.00 H new ATOM 0 HB2 SER A 549 -6.331 -7.128 -1.005 1.00 0.00 H new ATOM 0 HB3 SER A 549 -5.238 -7.459 0.324 1.00 0.00 H new ATOM 0 HG SER A 549 -3.940 -5.720 -0.284 1.00 0.00 H new ATOM 845 N LEU A 550 -2.761 -7.267 -3.166 1.00 0.00 N ATOM 846 CA LEU A 550 -2.249 -6.580 -4.349 1.00 0.00 C ATOM 847 C LEU A 550 -2.477 -7.422 -5.600 1.00 0.00 C ATOM 848 O LEU A 550 -2.466 -8.651 -5.543 1.00 0.00 O ATOM 849 CB LEU A 550 -0.746 -6.321 -4.202 1.00 0.00 C ATOM 850 CG LEU A 550 -0.457 -5.498 -2.943 1.00 0.00 C ATOM 851 CD1 LEU A 550 1.059 -5.442 -2.717 1.00 0.00 C ATOM 852 CD2 LEU A 550 -1.007 -4.071 -3.102 1.00 0.00 C ATOM 0 H LEU A 550 -2.047 -7.729 -2.602 1.00 0.00 H new ATOM 0 HA LEU A 550 -2.782 -5.634 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 550 -0.212 -7.270 -4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 550 -0.376 -5.793 -5.080 1.00 0.00 H new ATOM 0 HG LEU A 550 -0.943 -5.968 -2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 550 1.272 -4.857 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 550 1.446 -6.453 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 550 1.538 -4.975 -3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 550 -0.795 -3.497 -2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 550 -0.532 -3.591 -3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 550 -2.085 -4.112 -3.261 1.00 0.00 H new ATOM 864 N ASP A 551 -2.667 -6.749 -6.734 1.00 0.00 N ATOM 865 CA ASP A 551 -2.876 -7.443 -8.004 1.00 0.00 C ATOM 866 C ASP A 551 -1.543 -7.627 -8.718 1.00 0.00 C ATOM 867 O ASP A 551 -0.679 -6.752 -8.672 1.00 0.00 O ATOM 868 CB ASP A 551 -3.835 -6.642 -8.891 1.00 0.00 C ATOM 869 CG ASP A 551 -5.002 -6.122 -8.059 1.00 0.00 C ATOM 870 OD1 ASP A 551 -5.315 -6.746 -7.058 1.00 0.00 O ATOM 871 OD2 ASP A 551 -5.565 -5.107 -8.433 1.00 0.00 O ATOM 0 H ASP A 551 -2.681 -5.731 -6.800 1.00 0.00 H new ATOM 0 HA ASP A 551 -3.314 -8.421 -7.804 1.00 0.00 H new ATOM 0 HB2 ASP A 551 -3.306 -5.808 -9.352 1.00 0.00 H new ATOM 0 HB3 ASP A 551 -4.206 -7.271 -9.700 1.00 0.00 H new ATOM 876 N LYS A 552 -1.379 -8.773 -9.369 1.00 0.00 N ATOM 877 CA LYS A 552 -0.139 -9.068 -10.077 1.00 0.00 C ATOM 878 C LYS A 552 0.384 -7.835 -10.812 1.00 0.00 C ATOM 879 O LYS A 552 1.528 -7.426 -10.617 1.00 0.00 O ATOM 880 CB LYS A 552 -0.367 -10.207 -11.079 1.00 0.00 C ATOM 881 CG LYS A 552 -0.559 -11.543 -10.333 1.00 0.00 C ATOM 882 CD LYS A 552 0.800 -12.198 -10.056 1.00 0.00 C ATOM 883 CE LYS A 552 0.586 -13.546 -9.364 1.00 0.00 C ATOM 884 NZ LYS A 552 0.223 -13.320 -7.937 1.00 0.00 N ATOM 0 H LYS A 552 -2.084 -9.508 -9.421 1.00 0.00 H new ATOM 0 HA LYS A 552 0.606 -9.371 -9.341 1.00 0.00 H new ATOM 0 HB2 LYS A 552 -1.244 -9.994 -11.689 1.00 0.00 H new ATOM 0 HB3 LYS A 552 0.483 -10.280 -11.757 1.00 0.00 H new ATOM 0 HG2 LYS A 552 -1.085 -11.371 -9.394 1.00 0.00 H new ATOM 0 HG3 LYS A 552 -1.179 -12.214 -10.928 1.00 0.00 H new ATOM 0 HD2 LYS A 552 1.345 -12.339 -10.990 1.00 0.00 H new ATOM 0 HD3 LYS A 552 1.408 -11.547 -9.428 1.00 0.00 H new ATOM 0 HE2 LYS A 552 -0.204 -14.104 -9.867 1.00 0.00 H new ATOM 0 HE3 LYS A 552 1.492 -14.148 -9.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 0.111 -14.236 -7.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 0.975 -12.775 -7.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 -0.671 -12.791 -7.886 1.00 0.00 H new ATOM 898 N THR A 553 -0.458 -7.249 -11.654 1.00 0.00 N ATOM 899 CA THR A 553 -0.062 -6.064 -12.404 1.00 0.00 C ATOM 900 C THR A 553 0.160 -4.884 -11.464 1.00 0.00 C ATOM 901 O THR A 553 0.880 -3.942 -11.796 1.00 0.00 O ATOM 902 CB THR A 553 -1.135 -5.710 -13.427 1.00 0.00 C ATOM 903 OG1 THR A 553 -1.558 -6.890 -14.097 1.00 0.00 O ATOM 904 CG2 THR A 553 -0.575 -4.713 -14.444 1.00 0.00 C ATOM 0 H THR A 553 -1.409 -7.570 -11.834 1.00 0.00 H new ATOM 0 HA THR A 553 0.872 -6.281 -12.922 1.00 0.00 H new ATOM 0 HB THR A 553 -1.985 -5.258 -12.916 1.00 0.00 H new ATOM 0 HG1 THR A 553 -2.249 -6.663 -14.754 1.00 0.00 H new ATOM 0 HG21 THR A 553 -1.347 -4.464 -15.172 1.00 0.00 H new ATOM 0 HG22 THR A 553 -0.257 -3.807 -13.928 1.00 0.00 H new ATOM 0 HG23 THR A 553 0.278 -5.157 -14.957 1.00 0.00 H new ATOM 912 N THR A 554 -0.461 -4.944 -10.289 1.00 0.00 N ATOM 913 CA THR A 554 -0.324 -3.873 -9.304 1.00 0.00 C ATOM 914 C THR A 554 0.903 -4.096 -8.428 1.00 0.00 C ATOM 915 O THR A 554 1.437 -3.153 -7.847 1.00 0.00 O ATOM 916 CB THR A 554 -1.572 -3.811 -8.418 1.00 0.00 C ATOM 917 OG1 THR A 554 -2.701 -3.479 -9.216 1.00 0.00 O ATOM 918 CG2 THR A 554 -1.382 -2.751 -7.331 1.00 0.00 C ATOM 0 H THR A 554 -1.060 -5.716 -9.996 1.00 0.00 H new ATOM 0 HA THR A 554 -0.208 -2.932 -9.842 1.00 0.00 H new ATOM 0 HB THR A 554 -1.731 -4.781 -7.948 1.00 0.00 H new ATOM 0 HG1 THR A 554 -3.501 -3.441 -8.651 1.00 0.00 H new ATOM 0 HG21 THR A 554 -2.272 -2.710 -6.703 1.00 0.00 H new ATOM 0 HG22 THR A 554 -0.518 -3.008 -6.719 1.00 0.00 H new ATOM 0 HG23 THR A 554 -1.221 -1.778 -7.796 1.00 0.00 H new ATOM 926 N VAL A 555 1.349 -5.345 -8.337 1.00 0.00 N ATOM 927 CA VAL A 555 2.518 -5.667 -7.527 1.00 0.00 C ATOM 928 C VAL A 555 3.785 -5.139 -8.193 1.00 0.00 C ATOM 929 O VAL A 555 4.678 -4.622 -7.522 1.00 0.00 O ATOM 930 CB VAL A 555 2.617 -7.189 -7.342 1.00 0.00 C ATOM 931 CG1 VAL A 555 3.966 -7.554 -6.711 1.00 0.00 C ATOM 932 CG2 VAL A 555 1.485 -7.664 -6.429 1.00 0.00 C ATOM 0 H VAL A 555 0.924 -6.143 -8.809 1.00 0.00 H new ATOM 0 HA VAL A 555 2.414 -5.193 -6.551 1.00 0.00 H new ATOM 0 HB VAL A 555 2.534 -7.673 -8.315 1.00 0.00 H new ATOM 0 HG11 VAL A 555 4.028 -8.635 -6.583 1.00 0.00 H new ATOM 0 HG12 VAL A 555 4.774 -7.219 -7.361 1.00 0.00 H new ATOM 0 HG13 VAL A 555 4.056 -7.068 -5.739 1.00 0.00 H new ATOM 0 HG21 VAL A 555 1.553 -8.744 -6.296 1.00 0.00 H new ATOM 0 HG22 VAL A 555 1.569 -7.173 -5.459 1.00 0.00 H new ATOM 0 HG23 VAL A 555 0.525 -7.414 -6.880 1.00 0.00 H new ATOM 942 N ARG A 556 3.847 -5.248 -9.514 1.00 0.00 N ATOM 943 CA ARG A 556 5.002 -4.750 -10.248 1.00 0.00 C ATOM 944 C ARG A 556 5.096 -3.236 -10.086 1.00 0.00 C ATOM 945 O ARG A 556 6.183 -2.661 -10.132 1.00 0.00 O ATOM 946 CB ARG A 556 4.874 -5.117 -11.737 1.00 0.00 C ATOM 947 CG ARG A 556 5.288 -6.589 -11.963 1.00 0.00 C ATOM 948 CD ARG A 556 6.778 -6.676 -12.319 1.00 0.00 C ATOM 949 NE ARG A 556 7.597 -6.148 -11.232 1.00 0.00 N ATOM 950 CZ ARG A 556 7.877 -6.883 -10.162 1.00 0.00 C ATOM 951 NH1 ARG A 556 7.410 -8.098 -10.062 1.00 0.00 N ATOM 952 NH2 ARG A 556 8.619 -6.389 -9.208 1.00 0.00 N ATOM 0 H ARG A 556 3.121 -5.671 -10.092 1.00 0.00 H new ATOM 0 HA ARG A 556 5.908 -5.208 -9.851 1.00 0.00 H new ATOM 0 HB2 ARG A 556 3.847 -4.966 -12.069 1.00 0.00 H new ATOM 0 HB3 ARG A 556 5.503 -4.459 -12.336 1.00 0.00 H new ATOM 0 HG2 ARG A 556 5.088 -7.172 -11.064 1.00 0.00 H new ATOM 0 HG3 ARG A 556 4.690 -7.023 -12.764 1.00 0.00 H new ATOM 0 HD2 ARG A 556 7.050 -7.713 -12.516 1.00 0.00 H new ATOM 0 HD3 ARG A 556 6.972 -6.116 -13.233 1.00 0.00 H new ATOM 0 HE ARG A 556 7.961 -5.197 -11.296 1.00 0.00 H new ATOM 0 HH11 ARG A 556 6.829 -8.484 -10.806 1.00 0.00 H new ATOM 0 HH12 ARG A 556 7.626 -8.661 -9.240 1.00 0.00 H new ATOM 0 HH21 ARG A 556 8.983 -5.439 -9.285 1.00 0.00 H new ATOM 0 HH22 ARG A 556 8.835 -6.953 -8.386 1.00 0.00 H new ATOM 966 N LYS A 557 3.944 -2.599 -9.881 1.00 0.00 N ATOM 967 CA LYS A 557 3.897 -1.152 -9.696 1.00 0.00 C ATOM 968 C LYS A 557 4.149 -0.804 -8.233 1.00 0.00 C ATOM 969 O LYS A 557 4.637 0.280 -7.915 1.00 0.00 O ATOM 970 CB LYS A 557 2.529 -0.616 -10.120 1.00 0.00 C ATOM 971 CG LYS A 557 2.307 -0.902 -11.607 1.00 0.00 C ATOM 972 CD LYS A 557 1.016 -0.222 -12.071 1.00 0.00 C ATOM 973 CE LYS A 557 0.769 -0.547 -13.544 1.00 0.00 C ATOM 974 NZ LYS A 557 -0.464 0.153 -14.006 1.00 0.00 N ATOM 0 H LYS A 557 3.035 -3.061 -9.839 1.00 0.00 H new ATOM 0 HA LYS A 557 4.671 -0.694 -10.312 1.00 0.00 H new ATOM 0 HB2 LYS A 557 1.743 -1.085 -9.527 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.473 0.456 -9.933 1.00 0.00 H new ATOM 0 HG2 LYS A 557 3.153 -0.536 -12.189 1.00 0.00 H new ATOM 0 HG3 LYS A 557 2.245 -1.977 -11.776 1.00 0.00 H new ATOM 0 HD2 LYS A 557 0.175 -0.563 -11.467 1.00 0.00 H new ATOM 0 HD3 LYS A 557 1.091 0.857 -11.933 1.00 0.00 H new ATOM 0 HE2 LYS A 557 1.624 -0.236 -14.145 1.00 0.00 H new ATOM 0 HE3 LYS A 557 0.661 -1.623 -13.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 -0.633 -0.067 -15.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 -1.276 -0.165 -13.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 -0.343 1.180 -13.893 1.00 0.00 H new ATOM 988 N LEU A 558 3.808 -1.738 -7.350 1.00 0.00 N ATOM 989 CA LEU A 558 3.992 -1.535 -5.917 1.00 0.00 C ATOM 990 C LEU A 558 5.479 -1.569 -5.566 1.00 0.00 C ATOM 991 O LEU A 558 5.991 -0.683 -4.882 1.00 0.00 O ATOM 992 CB LEU A 558 3.242 -2.642 -5.143 1.00 0.00 C ATOM 993 CG LEU A 558 2.726 -2.122 -3.788 1.00 0.00 C ATOM 994 CD1 LEU A 558 3.880 -1.484 -2.999 1.00 0.00 C ATOM 995 CD2 LEU A 558 1.594 -1.090 -3.996 1.00 0.00 C ATOM 0 H LEU A 558 3.404 -2.640 -7.601 1.00 0.00 H new ATOM 0 HA LEU A 558 3.591 -0.561 -5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 558 2.404 -3.003 -5.740 1.00 0.00 H new ATOM 0 HB3 LEU A 558 3.907 -3.490 -4.981 1.00 0.00 H new ATOM 0 HG LEU A 558 2.326 -2.964 -3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 558 3.508 -1.118 -2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 558 4.657 -2.228 -2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 558 4.294 -0.652 -3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 558 1.243 -0.735 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 558 1.971 -0.248 -4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 558 0.768 -1.559 -4.531 1.00 0.00 H new ATOM 1007 N GLN A 559 6.155 -2.610 -6.037 1.00 0.00 N ATOM 1008 CA GLN A 559 7.579 -2.778 -5.771 1.00 0.00 C ATOM 1009 C GLN A 559 8.399 -1.697 -6.469 1.00 0.00 C ATOM 1010 O GLN A 559 9.480 -1.333 -6.009 1.00 0.00 O ATOM 1011 CB GLN A 559 8.033 -4.156 -6.256 1.00 0.00 C ATOM 1012 CG GLN A 559 7.214 -5.248 -5.556 1.00 0.00 C ATOM 1013 CD GLN A 559 7.350 -6.564 -6.314 1.00 0.00 C ATOM 1014 OE1 GLN A 559 6.950 -6.657 -7.473 1.00 0.00 O ATOM 1015 NE2 GLN A 559 7.894 -7.592 -5.724 1.00 0.00 N ATOM 0 H GLN A 559 5.741 -3.350 -6.604 1.00 0.00 H new ATOM 0 HA GLN A 559 7.739 -2.691 -4.696 1.00 0.00 H new ATOM 0 HB2 GLN A 559 7.908 -4.231 -7.336 1.00 0.00 H new ATOM 0 HB3 GLN A 559 9.094 -4.294 -6.047 1.00 0.00 H new ATOM 0 HG2 GLN A 559 7.559 -5.372 -4.530 1.00 0.00 H new ATOM 0 HG3 GLN A 559 6.166 -4.953 -5.506 1.00 0.00 H new ATOM 0 HE21 GLN A 559 8.225 -7.512 -4.763 1.00 0.00 H new ATOM 0 HE22 GLN A 559 7.989 -8.476 -6.224 1.00 0.00 H new ATOM 1024 N SER A 560 7.883 -1.187 -7.584 1.00 0.00 N ATOM 1025 CA SER A 560 8.586 -0.148 -8.333 1.00 0.00 C ATOM 1026 C SER A 560 8.689 1.139 -7.515 1.00 0.00 C ATOM 1027 O SER A 560 9.763 1.730 -7.409 1.00 0.00 O ATOM 1028 CB SER A 560 7.849 0.138 -9.640 1.00 0.00 C ATOM 1029 OG SER A 560 8.676 0.929 -10.483 1.00 0.00 O ATOM 0 H SER A 560 6.990 -1.472 -7.986 1.00 0.00 H new ATOM 0 HA SER A 560 9.593 -0.505 -8.549 1.00 0.00 H new ATOM 0 HB2 SER A 560 7.592 -0.797 -10.138 1.00 0.00 H new ATOM 0 HB3 SER A 560 6.913 0.659 -9.437 1.00 0.00 H new ATOM 0 HG SER A 560 8.206 1.113 -11.323 1.00 0.00 H new ATOM 1035 N TYR A 561 7.569 1.575 -6.948 1.00 0.00 N ATOM 1036 CA TYR A 561 7.553 2.800 -6.152 1.00 0.00 C ATOM 1037 C TYR A 561 8.713 2.820 -5.154 1.00 0.00 C ATOM 1038 O TYR A 561 9.527 3.744 -5.160 1.00 0.00 O ATOM 1039 CB TYR A 561 6.225 2.910 -5.378 1.00 0.00 C ATOM 1040 CG TYR A 561 5.136 3.465 -6.273 1.00 0.00 C ATOM 1041 CD1 TYR A 561 5.255 4.759 -6.797 1.00 0.00 C ATOM 1042 CD2 TYR A 561 4.006 2.691 -6.572 1.00 0.00 C ATOM 1043 CE1 TYR A 561 4.249 5.277 -7.616 1.00 0.00 C ATOM 1044 CE2 TYR A 561 2.999 3.212 -7.390 1.00 0.00 C ATOM 1045 CZ TYR A 561 3.118 4.503 -7.913 1.00 0.00 C ATOM 1046 OH TYR A 561 2.125 5.017 -8.722 1.00 0.00 O ATOM 0 H TYR A 561 6.667 1.104 -7.023 1.00 0.00 H new ATOM 0 HA TYR A 561 7.657 3.644 -6.834 1.00 0.00 H new ATOM 0 HB2 TYR A 561 5.932 1.929 -5.004 1.00 0.00 H new ATOM 0 HB3 TYR A 561 6.355 3.556 -4.510 1.00 0.00 H new ATOM 0 HD1 TYR A 561 6.125 5.356 -6.568 1.00 0.00 H new ATOM 0 HD2 TYR A 561 3.913 1.693 -6.171 1.00 0.00 H new ATOM 0 HE1 TYR A 561 4.342 6.274 -8.021 1.00 0.00 H new ATOM 0 HE2 TYR A 561 2.128 2.616 -7.618 1.00 0.00 H new ATOM 0 HH TYR A 561 1.541 4.291 -9.024 1.00 0.00 H new ATOM 1056 N LEU A 562 8.787 1.808 -4.303 1.00 0.00 N ATOM 1057 CA LEU A 562 9.856 1.742 -3.312 1.00 0.00 C ATOM 1058 C LEU A 562 11.222 1.758 -3.995 1.00 0.00 C ATOM 1059 O LEU A 562 12.181 2.323 -3.469 1.00 0.00 O ATOM 1060 CB LEU A 562 9.717 0.464 -2.478 1.00 0.00 C ATOM 1061 CG LEU A 562 8.351 0.448 -1.761 1.00 0.00 C ATOM 1062 CD1 LEU A 562 7.938 -0.996 -1.463 1.00 0.00 C ATOM 1063 CD2 LEU A 562 8.441 1.218 -0.438 1.00 0.00 C ATOM 0 H LEU A 562 8.129 1.029 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 562 9.777 2.613 -2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 562 9.810 -0.411 -3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 562 10.522 0.409 -1.745 1.00 0.00 H new ATOM 0 HG LEU A 562 7.613 0.919 -2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 562 6.973 -1.001 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 562 7.861 -1.553 -2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 562 8.686 -1.464 -0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 562 7.471 1.200 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 562 9.187 0.751 0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 562 8.728 2.251 -0.637 1.00 0.00 H new ATOM 1075 N GLU A 563 11.302 1.134 -5.167 1.00 0.00 N ATOM 1076 CA GLU A 563 12.556 1.079 -5.908 1.00 0.00 C ATOM 1077 C GLU A 563 12.821 2.403 -6.619 1.00 0.00 C ATOM 1078 O GLU A 563 13.200 2.425 -7.789 1.00 0.00 O ATOM 1079 CB GLU A 563 12.506 -0.050 -6.939 1.00 0.00 C ATOM 1080 CG GLU A 563 12.491 -1.401 -6.219 1.00 0.00 C ATOM 1081 CD GLU A 563 13.882 -1.722 -5.682 1.00 0.00 C ATOM 1082 OE1 GLU A 563 14.801 -1.795 -6.481 1.00 0.00 O ATOM 1083 OE2 GLU A 563 14.008 -1.888 -4.480 1.00 0.00 O ATOM 0 H GLU A 563 10.519 0.663 -5.620 1.00 0.00 H new ATOM 0 HA GLU A 563 13.363 0.891 -5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 563 11.617 0.052 -7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 563 13.369 0.011 -7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 563 11.772 -1.378 -5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 563 12.167 -2.184 -6.905 1.00 0.00 H new ATOM 1090 N THR A 564 12.616 3.504 -5.905 1.00 0.00 N ATOM 1091 CA THR A 564 12.838 4.827 -6.480 1.00 0.00 C ATOM 1092 C THR A 564 14.203 4.896 -7.157 1.00 0.00 C ATOM 1093 O THR A 564 14.943 3.912 -7.183 1.00 0.00 O ATOM 1094 CB THR A 564 12.757 5.895 -5.385 1.00 0.00 C ATOM 1095 OG1 THR A 564 13.836 5.720 -4.477 1.00 0.00 O ATOM 1096 CG2 THR A 564 11.430 5.761 -4.637 1.00 0.00 C ATOM 0 H THR A 564 12.299 3.509 -4.935 1.00 0.00 H new ATOM 0 HA THR A 564 12.064 5.011 -7.226 1.00 0.00 H new ATOM 0 HB THR A 564 12.818 6.886 -5.836 1.00 0.00 H new ATOM 0 HG1 THR A 564 13.788 6.403 -3.776 1.00 0.00 H new ATOM 0 HG21 THR A 564 11.373 6.521 -3.858 1.00 0.00 H new ATOM 0 HG22 THR A 564 10.604 5.894 -5.335 1.00 0.00 H new ATOM 0 HG23 THR A 564 11.366 4.772 -4.184 1.00 0.00 H new ATOM 1104 N SER A 565 14.531 6.061 -7.704 1.00 0.00 N ATOM 1105 CA SER A 565 15.811 6.245 -8.378 1.00 0.00 C ATOM 1106 C SER A 565 16.093 7.727 -8.601 1.00 0.00 C ATOM 1107 O SER A 565 15.577 8.583 -7.882 1.00 0.00 O ATOM 1108 CB SER A 565 15.800 5.519 -9.724 1.00 0.00 C ATOM 1109 OG SER A 565 14.871 6.154 -10.593 1.00 0.00 O ATOM 0 H SER A 565 13.933 6.887 -7.695 1.00 0.00 H new ATOM 0 HA SER A 565 16.596 5.829 -7.746 1.00 0.00 H new ATOM 0 HB2 SER A 565 16.796 5.533 -10.166 1.00 0.00 H new ATOM 0 HB3 SER A 565 15.528 4.473 -9.584 1.00 0.00 H new ATOM 0 HG SER A 565 14.863 5.692 -11.457 1.00 0.00 H new ATOM 1115 N GLY A 566 16.918 8.024 -9.600 1.00 0.00 N ATOM 1116 CA GLY A 566 17.263 9.407 -9.909 1.00 0.00 C ATOM 1117 C GLY A 566 17.858 9.522 -11.308 1.00 0.00 C ATOM 1118 O GLY A 566 19.014 9.168 -11.532 1.00 0.00 O ATOM 0 H GLY A 566 17.357 7.331 -10.206 1.00 0.00 H new ATOM 0 HA2 GLY A 566 16.373 10.033 -9.836 1.00 0.00 H new ATOM 0 HA3 GLY A 566 17.977 9.780 -9.175 1.00 0.00 H new ATOM 1122 N THR A 567 17.059 10.020 -12.245 1.00 0.00 N ATOM 1123 CA THR A 567 17.517 10.178 -13.622 1.00 0.00 C ATOM 1124 C THR A 567 18.404 11.412 -13.753 1.00 0.00 C ATOM 1125 O THR A 567 17.940 12.540 -13.592 1.00 0.00 O ATOM 1126 CB THR A 567 16.317 10.307 -14.561 1.00 0.00 C ATOM 1127 OG1 THR A 567 15.579 11.474 -14.226 1.00 0.00 O ATOM 1128 CG2 THR A 567 15.418 9.076 -14.419 1.00 0.00 C ATOM 0 H THR A 567 16.098 10.319 -12.079 1.00 0.00 H new ATOM 0 HA THR A 567 18.097 9.297 -13.895 1.00 0.00 H new ATOM 0 HB THR A 567 16.668 10.380 -15.590 1.00 0.00 H new ATOM 0 HG1 THR A 567 16.197 12.185 -13.956 1.00 0.00 H new ATOM 0 HG21 THR A 567 14.564 9.170 -15.089 1.00 0.00 H new ATOM 0 HG22 THR A 567 15.984 8.181 -14.676 1.00 0.00 H new ATOM 0 HG23 THR A 567 15.066 8.999 -13.390 1.00 0.00 H new ATOM 1136 N SER A 568 19.681 11.189 -14.047 1.00 0.00 N ATOM 1137 CA SER A 568 20.624 12.290 -14.197 1.00 0.00 C ATOM 1138 C SER A 568 21.951 11.787 -14.754 1.00 0.00 C ATOM 1139 O SER A 568 22.710 11.209 -13.993 1.00 0.00 O ATOM 1140 CB SER A 568 20.858 12.964 -12.846 1.00 0.00 C ATOM 1141 OG SER A 568 22.016 13.785 -12.925 1.00 0.00 O ATOM 1142 OXT SER A 568 22.190 11.987 -15.933 1.00 0.00 O ATOM 0 H SER A 568 20.084 10.262 -14.185 1.00 0.00 H new ATOM 0 HA SER A 568 20.201 13.013 -14.895 1.00 0.00 H new ATOM 0 HB2 SER A 568 19.991 13.564 -12.571 1.00 0.00 H new ATOM 0 HB3 SER A 568 20.984 12.211 -12.068 1.00 0.00 H new ATOM 0 HG SER A 568 22.168 14.220 -12.060 1.00 0.00 H new TER 1148 SER A 568 ATOM 1149 N THR B 876 0.297 -17.226 8.023 1.00 0.00 N ATOM 1150 CA THR B 876 -0.199 -15.820 8.048 1.00 0.00 C ATOM 1151 C THR B 876 -0.129 -15.234 6.642 1.00 0.00 C ATOM 1152 O THR B 876 0.718 -14.390 6.352 1.00 0.00 O ATOM 1153 CB THR B 876 0.666 -14.996 9.004 1.00 0.00 C ATOM 1154 OG1 THR B 876 2.020 -15.049 8.577 1.00 0.00 O ATOM 1155 CG2 THR B 876 0.552 -15.567 10.419 1.00 0.00 C ATOM 0 HA THR B 876 -1.233 -15.798 8.392 1.00 0.00 H new ATOM 0 HB THR B 876 0.324 -13.961 9.005 1.00 0.00 H new ATOM 0 HG1 THR B 876 2.070 -14.836 7.622 1.00 0.00 H new ATOM 0 HG21 THR B 876 1.169 -14.979 11.099 1.00 0.00 H new ATOM 0 HG22 THR B 876 -0.487 -15.527 10.745 1.00 0.00 H new ATOM 0 HG23 THR B 876 0.894 -16.602 10.422 1.00 0.00 H new ATOM 1165 N ASN B 877 -1.025 -15.688 5.772 1.00 0.00 N ATOM 1166 CA ASN B 877 -1.058 -15.204 4.397 1.00 0.00 C ATOM 1167 C ASN B 877 -1.617 -13.787 4.338 1.00 0.00 C ATOM 1168 O ASN B 877 -2.359 -13.438 3.420 1.00 0.00 O ATOM 1169 CB ASN B 877 -1.916 -16.132 3.535 1.00 0.00 C ATOM 1170 CG ASN B 877 -1.538 -17.586 3.795 1.00 0.00 C ATOM 1171 OD1 ASN B 877 -1.925 -18.156 4.815 1.00 0.00 O ATOM 1172 ND2 ASN B 877 -0.797 -18.224 2.930 1.00 0.00 N ATOM 0 H ASN B 877 -1.734 -16.387 5.993 1.00 0.00 H new ATOM 0 HA ASN B 877 -0.038 -15.194 4.013 1.00 0.00 H new ATOM 0 HB2 ASN B 877 -2.971 -15.977 3.759 1.00 0.00 H new ATOM 0 HB3 ASN B 877 -1.776 -15.895 2.480 1.00 0.00 H new ATOM 0 HD21 ASN B 877 -0.538 -19.196 3.099 1.00 0.00 H new ATOM 0 HD22 ASN B 877 -0.477 -17.750 2.085 1.00 0.00 H new ATOM 1179 N LYS B 878 -1.251 -12.972 5.323 1.00 0.00 N ATOM 1180 CA LYS B 878 -1.713 -11.588 5.384 1.00 0.00 C ATOM 1181 C LYS B 878 -0.662 -10.713 6.059 1.00 0.00 C ATOM 1182 O LYS B 878 -0.007 -11.131 7.014 1.00 0.00 O ATOM 1183 CB LYS B 878 -3.024 -11.507 6.168 1.00 0.00 C ATOM 1184 CG LYS B 878 -4.097 -12.341 5.463 1.00 0.00 C ATOM 1185 CD LYS B 878 -5.478 -11.967 6.007 1.00 0.00 C ATOM 1186 CE LYS B 878 -5.498 -12.152 7.526 1.00 0.00 C ATOM 1187 NZ LYS B 878 -4.809 -13.424 7.882 1.00 0.00 N ATOM 0 H LYS B 878 -0.636 -13.245 6.090 1.00 0.00 H new ATOM 0 HA LYS B 878 -1.878 -11.231 4.368 1.00 0.00 H new ATOM 0 HB2 LYS B 878 -2.875 -11.872 7.184 1.00 0.00 H new ATOM 0 HB3 LYS B 878 -3.349 -10.470 6.247 1.00 0.00 H new ATOM 0 HG2 LYS B 878 -4.059 -12.167 4.388 1.00 0.00 H new ATOM 0 HG3 LYS B 878 -3.908 -13.403 5.621 1.00 0.00 H new ATOM 0 HD2 LYS B 878 -5.712 -10.933 5.753 1.00 0.00 H new ATOM 0 HD3 LYS B 878 -6.243 -12.590 5.544 1.00 0.00 H new ATOM 0 HE2 LYS B 878 -5.004 -11.310 8.012 1.00 0.00 H new ATOM 0 HE3 LYS B 878 -6.526 -12.170 7.887 1.00 0.00 H new ATOM 0 HZ1 LYS B 878 -5.202 -13.795 8.770 1.00 0.00 H new ATOM 0 HZ2 LYS B 878 -4.952 -14.120 7.123 1.00 0.00 H new ATOM 0 HZ3 LYS B 878 -3.791 -13.246 8.002 1.00 0.00 H new ATOM 1201 N LEU B 879 -0.508 -9.493 5.551 1.00 0.00 N ATOM 1202 CA LEU B 879 0.461 -8.541 6.089 1.00 0.00 C ATOM 1203 C LEU B 879 -0.214 -7.182 6.250 1.00 0.00 C ATOM 1204 O LEU B 879 -0.176 -6.366 5.333 1.00 0.00 O ATOM 1205 CB LEU B 879 1.627 -8.382 5.105 1.00 0.00 C ATOM 1206 CG LEU B 879 2.396 -9.717 4.925 1.00 0.00 C ATOM 1207 CD1 LEU B 879 2.913 -9.837 3.481 1.00 0.00 C ATOM 1208 CD2 LEU B 879 3.589 -9.767 5.891 1.00 0.00 C ATOM 0 H LEU B 879 -1.047 -9.138 4.761 1.00 0.00 H new ATOM 0 HA LEU B 879 0.828 -8.905 7.049 1.00 0.00 H new ATOM 0 HB2 LEU B 879 1.248 -8.045 4.140 1.00 0.00 H new ATOM 0 HB3 LEU B 879 2.309 -7.612 5.467 1.00 0.00 H new ATOM 0 HG LEU B 879 1.717 -10.543 5.138 1.00 0.00 H new ATOM 0 HD11 LEU B 879 3.452 -10.777 3.364 1.00 0.00 H new ATOM 0 HD12 LEU B 879 2.071 -9.813 2.790 1.00 0.00 H new ATOM 0 HD13 LEU B 879 3.584 -9.006 3.264 1.00 0.00 H new ATOM 0 HD21 LEU B 879 4.125 -10.707 5.759 1.00 0.00 H new ATOM 0 HD22 LEU B 879 4.261 -8.934 5.683 1.00 0.00 H new ATOM 0 HD23 LEU B 879 3.229 -9.695 6.917 1.00 0.00 H new ATOM 1220 N PRO B 880 -0.841 -6.911 7.363 1.00 0.00 N ATOM 1221 CA PRO B 880 -1.526 -5.609 7.562 1.00 0.00 C ATOM 1222 C PRO B 880 -0.530 -4.498 7.896 1.00 0.00 C ATOM 1223 O PRO B 880 0.304 -4.653 8.785 1.00 0.00 O ATOM 1224 CB PRO B 880 -2.486 -5.887 8.724 1.00 0.00 C ATOM 1225 CG PRO B 880 -1.823 -6.966 9.527 1.00 0.00 C ATOM 1226 CD PRO B 880 -0.969 -7.787 8.543 1.00 0.00 C ATOM 0 HA PRO B 880 -2.042 -5.257 6.669 1.00 0.00 H new ATOM 0 HB2 PRO B 880 -2.648 -4.992 9.324 1.00 0.00 H new ATOM 0 HB3 PRO B 880 -3.462 -6.209 8.361 1.00 0.00 H new ATOM 0 HG2 PRO B 880 -1.202 -6.537 10.314 1.00 0.00 H new ATOM 0 HG3 PRO B 880 -2.566 -7.597 10.015 1.00 0.00 H new ATOM 0 HD2 PRO B 880 0.005 -8.030 8.967 1.00 0.00 H new ATOM 0 HD3 PRO B 880 -1.450 -8.731 8.289 1.00 0.00 H new ATOM 1234 N VAL B 881 -0.643 -3.365 7.199 1.00 0.00 N ATOM 1235 CA VAL B 881 0.235 -2.214 7.440 1.00 0.00 C ATOM 1236 C VAL B 881 -0.618 -0.979 7.701 1.00 0.00 C ATOM 1237 O VAL B 881 -1.323 -0.505 6.814 1.00 0.00 O ATOM 1238 CB VAL B 881 1.131 -1.971 6.224 1.00 0.00 C ATOM 1239 CG1 VAL B 881 1.927 -0.677 6.422 1.00 0.00 C ATOM 1240 CG2 VAL B 881 2.100 -3.144 6.064 1.00 0.00 C ATOM 0 H VAL B 881 -1.334 -3.218 6.463 1.00 0.00 H new ATOM 0 HA VAL B 881 0.865 -2.418 8.306 1.00 0.00 H new ATOM 0 HB VAL B 881 0.513 -1.883 5.331 1.00 0.00 H new ATOM 0 HG11 VAL B 881 2.565 -0.506 5.555 1.00 0.00 H new ATOM 0 HG12 VAL B 881 1.238 0.160 6.537 1.00 0.00 H new ATOM 0 HG13 VAL B 881 2.545 -0.763 7.316 1.00 0.00 H new ATOM 0 HG21 VAL B 881 2.739 -2.972 5.198 1.00 0.00 H new ATOM 0 HG22 VAL B 881 2.717 -3.231 6.959 1.00 0.00 H new ATOM 0 HG23 VAL B 881 1.535 -4.065 5.921 1.00 0.00 H new ATOM 1250 N SER B 882 -0.544 -0.461 8.922 1.00 0.00 N ATOM 1251 CA SER B 882 -1.315 0.725 9.294 1.00 0.00 C ATOM 1252 C SER B 882 -0.496 2.000 9.102 1.00 0.00 C ATOM 1253 O SER B 882 0.636 2.087 9.581 1.00 0.00 O ATOM 1254 CB SER B 882 -1.742 0.618 10.760 1.00 0.00 C ATOM 1255 OG SER B 882 -0.596 0.383 11.566 1.00 0.00 O ATOM 0 H SER B 882 0.038 -0.839 9.669 1.00 0.00 H new ATOM 0 HA SER B 882 -2.192 0.776 8.648 1.00 0.00 H new ATOM 0 HB2 SER B 882 -2.240 1.536 11.074 1.00 0.00 H new ATOM 0 HB3 SER B 882 -2.460 -0.193 10.883 1.00 0.00 H new ATOM 0 HG SER B 882 0.197 0.747 11.121 1.00 0.00 H new ATOM 1261 N ILE B 883 -1.058 2.991 8.402 1.00 0.00 N ATOM 1262 CA ILE B 883 -0.352 4.257 8.159 1.00 0.00 C ATOM 1263 C ILE B 883 -1.191 5.438 8.671 1.00 0.00 C ATOM 1264 O ILE B 883 -2.256 5.712 8.118 1.00 0.00 O ATOM 1265 CB ILE B 883 -0.120 4.452 6.654 1.00 0.00 C ATOM 1266 CG1 ILE B 883 0.723 3.297 6.103 1.00 0.00 C ATOM 1267 CG2 ILE B 883 0.616 5.777 6.429 1.00 0.00 C ATOM 1268 CD1 ILE B 883 0.792 3.388 4.571 1.00 0.00 C ATOM 0 H ILE B 883 -1.992 2.944 7.996 1.00 0.00 H new ATOM 0 HA ILE B 883 0.602 4.220 8.684 1.00 0.00 H new ATOM 0 HB ILE B 883 -1.079 4.469 6.137 1.00 0.00 H new ATOM 0 HG12 ILE B 883 1.728 3.335 6.524 1.00 0.00 H new ATOM 0 HG13 ILE B 883 0.288 2.343 6.401 1.00 0.00 H new ATOM 0 HG21 ILE B 883 0.785 5.923 5.362 1.00 0.00 H new ATOM 0 HG22 ILE B 883 0.013 6.598 6.817 1.00 0.00 H new ATOM 0 HG23 ILE B 883 1.574 5.754 6.948 1.00 0.00 H new ATOM 0 HD11 ILE B 883 1.392 2.565 4.184 1.00 0.00 H new ATOM 0 HD12 ILE B 883 -0.215 3.329 4.157 1.00 0.00 H new ATOM 0 HD13 ILE B 883 1.247 4.336 4.283 1.00 0.00 H new ATOM 1280 N PRO B 884 -0.758 6.149 9.693 1.00 0.00 N ATOM 1281 CA PRO B 884 -1.531 7.313 10.218 1.00 0.00 C ATOM 1282 C PRO B 884 -2.068 8.191 9.088 1.00 0.00 C ATOM 1283 O PRO B 884 -1.304 8.681 8.256 1.00 0.00 O ATOM 1284 CB PRO B 884 -0.509 8.060 11.077 1.00 0.00 C ATOM 1285 CG PRO B 884 0.417 6.997 11.572 1.00 0.00 C ATOM 1286 CD PRO B 884 0.490 5.944 10.460 1.00 0.00 C ATOM 0 HA PRO B 884 -2.416 7.013 10.779 1.00 0.00 H new ATOM 0 HB2 PRO B 884 0.025 8.811 10.495 1.00 0.00 H new ATOM 0 HB3 PRO B 884 -0.992 8.582 11.904 1.00 0.00 H new ATOM 0 HG2 PRO B 884 1.404 7.408 11.785 1.00 0.00 H new ATOM 0 HG3 PRO B 884 0.047 6.559 12.499 1.00 0.00 H new ATOM 0 HD2 PRO B 884 1.371 6.085 9.834 1.00 0.00 H new ATOM 0 HD3 PRO B 884 0.547 4.935 10.868 1.00 0.00 H new ATOM 1294 N LEU B 885 -3.381 8.383 9.065 1.00 0.00 N ATOM 1295 CA LEU B 885 -4.004 9.204 8.030 1.00 0.00 C ATOM 1296 C LEU B 885 -3.391 10.598 8.022 1.00 0.00 C ATOM 1297 O LEU B 885 -3.565 11.359 7.070 1.00 0.00 O ATOM 1298 CB LEU B 885 -5.511 9.317 8.281 1.00 0.00 C ATOM 1299 CG LEU B 885 -6.168 7.923 8.216 1.00 0.00 C ATOM 1300 CD1 LEU B 885 -7.487 7.940 8.996 1.00 0.00 C ATOM 1301 CD2 LEU B 885 -6.460 7.539 6.760 1.00 0.00 C ATOM 0 H LEU B 885 -4.031 7.986 9.743 1.00 0.00 H new ATOM 0 HA LEU B 885 -3.832 8.728 7.064 1.00 0.00 H new ATOM 0 HB2 LEU B 885 -5.692 9.767 9.257 1.00 0.00 H new ATOM 0 HB3 LEU B 885 -5.962 9.975 7.538 1.00 0.00 H new ATOM 0 HG LEU B 885 -5.483 7.195 8.652 1.00 0.00 H new ATOM 0 HD11 LEU B 885 -7.950 6.954 8.949 1.00 0.00 H new ATOM 0 HD12 LEU B 885 -7.291 8.200 10.036 1.00 0.00 H new ATOM 0 HD13 LEU B 885 -8.159 8.678 8.558 1.00 0.00 H new ATOM 0 HD21 LEU B 885 -6.924 6.553 6.730 1.00 0.00 H new ATOM 0 HD22 LEU B 885 -7.136 8.271 6.319 1.00 0.00 H new ATOM 0 HD23 LEU B 885 -5.528 7.519 6.195 1.00 0.00 H new ATOM 1313 N ALA B 886 -2.658 10.916 9.082 1.00 0.00 N ATOM 1314 CA ALA B 886 -2.000 12.210 9.184 1.00 0.00 C ATOM 1315 C ALA B 886 -0.744 12.212 8.317 1.00 0.00 C ATOM 1316 O ALA B 886 -0.257 13.268 7.914 1.00 0.00 O ATOM 1317 CB ALA B 886 -1.631 12.485 10.642 1.00 0.00 C ATOM 0 H ALA B 886 -2.505 10.298 9.879 1.00 0.00 H new ATOM 0 HA ALA B 886 -2.676 12.991 8.836 1.00 0.00 H new ATOM 0 HB1 ALA B 886 -1.138 13.455 10.716 1.00 0.00 H new ATOM 0 HB2 ALA B 886 -2.535 12.490 11.251 1.00 0.00 H new ATOM 0 HB3 ALA B 886 -0.956 11.707 11.000 1.00 0.00 H new ATOM 1323 N SER B 887 -0.217 11.019 8.052 1.00 0.00 N ATOM 1324 CA SER B 887 0.995 10.883 7.249 1.00 0.00 C ATOM 1325 C SER B 887 0.677 10.879 5.758 1.00 0.00 C ATOM 1326 O SER B 887 1.556 11.103 4.927 1.00 0.00 O ATOM 1327 CB SER B 887 1.715 9.585 7.615 1.00 0.00 C ATOM 1328 OG SER B 887 1.938 9.550 9.018 1.00 0.00 O ATOM 0 H SER B 887 -0.608 10.136 8.380 1.00 0.00 H new ATOM 0 HA SER B 887 1.635 11.739 7.462 1.00 0.00 H new ATOM 0 HB2 SER B 887 1.118 8.726 7.309 1.00 0.00 H new ATOM 0 HB3 SER B 887 2.664 9.520 7.083 1.00 0.00 H new ATOM 0 HG SER B 887 1.935 8.620 9.327 1.00 0.00 H new ATOM 1334 N VAL B 888 -0.586 10.619 5.424 1.00 0.00 N ATOM 1335 CA VAL B 888 -1.020 10.579 4.031 1.00 0.00 C ATOM 1336 C VAL B 888 -2.359 11.287 3.878 1.00 0.00 C ATOM 1337 O VAL B 888 -2.841 11.939 4.804 1.00 0.00 O ATOM 1338 CB VAL B 888 -1.146 9.124 3.569 1.00 0.00 C ATOM 1339 CG1 VAL B 888 0.250 8.533 3.348 1.00 0.00 C ATOM 1340 CG2 VAL B 888 -1.879 8.314 4.642 1.00 0.00 C ATOM 0 H VAL B 888 -1.326 10.433 6.101 1.00 0.00 H new ATOM 0 HA VAL B 888 -0.279 11.089 3.415 1.00 0.00 H new ATOM 0 HB VAL B 888 -1.706 9.086 2.635 1.00 0.00 H new ATOM 0 HG11 VAL B 888 0.159 7.498 3.019 1.00 0.00 H new ATOM 0 HG12 VAL B 888 0.773 9.111 2.586 1.00 0.00 H new ATOM 0 HG13 VAL B 888 0.812 8.569 4.281 1.00 0.00 H new ATOM 0 HG21 VAL B 888 -1.971 7.278 4.316 1.00 0.00 H new ATOM 0 HG22 VAL B 888 -1.317 8.353 5.575 1.00 0.00 H new ATOM 0 HG23 VAL B 888 -2.872 8.734 4.800 1.00 0.00 H new ATOM 1350 N VAL B 889 -2.954 11.146 2.701 1.00 0.00 N ATOM 1351 CA VAL B 889 -4.249 11.764 2.411 1.00 0.00 C ATOM 1352 C VAL B 889 -5.111 10.812 1.590 1.00 0.00 C ATOM 1353 O VAL B 889 -4.757 10.442 0.470 1.00 0.00 O ATOM 1354 CB VAL B 889 -4.034 13.069 1.644 1.00 0.00 C ATOM 1355 CG1 VAL B 889 -5.316 13.905 1.680 1.00 0.00 C ATOM 1356 CG2 VAL B 889 -2.893 13.854 2.295 1.00 0.00 C ATOM 0 H VAL B 889 -2.563 10.609 1.927 1.00 0.00 H new ATOM 0 HA VAL B 889 -4.761 11.979 3.349 1.00 0.00 H new ATOM 0 HB VAL B 889 -3.781 12.845 0.608 1.00 0.00 H new ATOM 0 HG11 VAL B 889 -5.160 14.835 1.133 1.00 0.00 H new ATOM 0 HG12 VAL B 889 -6.129 13.344 1.219 1.00 0.00 H new ATOM 0 HG13 VAL B 889 -5.573 14.132 2.715 1.00 0.00 H new ATOM 0 HG21 VAL B 889 -2.736 14.786 1.751 1.00 0.00 H new ATOM 0 HG22 VAL B 889 -3.149 14.077 3.331 1.00 0.00 H new ATOM 0 HG23 VAL B 889 -1.980 13.259 2.267 1.00 0.00 H new ATOM 1366 N LEU B 890 -6.253 10.419 2.157 1.00 0.00 N ATOM 1367 CA LEU B 890 -7.175 9.511 1.479 1.00 0.00 C ATOM 1368 C LEU B 890 -8.219 10.310 0.683 1.00 0.00 C ATOM 1369 O LEU B 890 -8.958 11.102 1.269 1.00 0.00 O ATOM 1370 CB LEU B 890 -7.881 8.633 2.525 1.00 0.00 C ATOM 1371 CG LEU B 890 -6.966 7.469 2.944 1.00 0.00 C ATOM 1372 CD1 LEU B 890 -6.803 6.461 1.784 1.00 0.00 C ATOM 1373 CD2 LEU B 890 -5.591 8.020 3.348 1.00 0.00 C ATOM 0 H LEU B 890 -6.560 10.716 3.083 1.00 0.00 H new ATOM 0 HA LEU B 890 -6.615 8.882 0.787 1.00 0.00 H new ATOM 0 HB2 LEU B 890 -8.142 9.232 3.397 1.00 0.00 H new ATOM 0 HB3 LEU B 890 -8.813 8.244 2.115 1.00 0.00 H new ATOM 0 HG LEU B 890 -7.419 6.953 3.791 1.00 0.00 H new ATOM 0 HD11 LEU B 890 -6.153 5.645 2.100 1.00 0.00 H new ATOM 0 HD12 LEU B 890 -7.779 6.061 1.509 1.00 0.00 H new ATOM 0 HD13 LEU B 890 -6.362 6.965 0.924 1.00 0.00 H new ATOM 0 HD21 LEU B 890 -4.942 7.196 3.645 1.00 0.00 H new ATOM 0 HD22 LEU B 890 -5.147 8.545 2.503 1.00 0.00 H new ATOM 0 HD23 LEU B 890 -5.707 8.710 4.184 1.00 0.00 H new ATOM 1385 N PRO B 891 -8.309 10.140 -0.624 1.00 0.00 N ATOM 1386 CA PRO B 891 -9.299 10.888 -1.452 1.00 0.00 C ATOM 1387 C PRO B 891 -10.700 10.285 -1.355 1.00 0.00 C ATOM 1388 O PRO B 891 -11.055 9.394 -2.124 1.00 0.00 O ATOM 1389 CB PRO B 891 -8.735 10.766 -2.867 1.00 0.00 C ATOM 1390 CG PRO B 891 -8.055 9.438 -2.879 1.00 0.00 C ATOM 1391 CD PRO B 891 -7.497 9.229 -1.464 1.00 0.00 C ATOM 0 HA PRO B 891 -9.422 11.921 -1.127 1.00 0.00 H new ATOM 0 HB2 PRO B 891 -9.525 10.815 -3.616 1.00 0.00 H new ATOM 0 HB3 PRO B 891 -8.036 11.573 -3.088 1.00 0.00 H new ATOM 0 HG2 PRO B 891 -8.755 8.645 -3.142 1.00 0.00 H new ATOM 0 HG3 PRO B 891 -7.256 9.417 -3.620 1.00 0.00 H new ATOM 0 HD2 PRO B 891 -7.599 8.192 -1.143 1.00 0.00 H new ATOM 0 HD3 PRO B 891 -6.437 9.476 -1.412 1.00 0.00 H new ATOM 1399 N SER B 892 -11.490 10.778 -0.407 1.00 0.00 N ATOM 1400 CA SER B 892 -12.848 10.277 -0.224 1.00 0.00 C ATOM 1401 C SER B 892 -13.689 11.277 0.563 1.00 0.00 C ATOM 1402 O SER B 892 -14.370 10.911 1.521 1.00 0.00 O ATOM 1403 CB SER B 892 -12.817 8.941 0.519 1.00 0.00 C ATOM 1404 OG SER B 892 -14.127 8.391 0.552 1.00 0.00 O ATOM 0 H SER B 892 -11.217 11.517 0.241 1.00 0.00 H new ATOM 0 HA SER B 892 -13.297 10.136 -1.207 1.00 0.00 H new ATOM 0 HB2 SER B 892 -12.133 8.252 0.023 1.00 0.00 H new ATOM 0 HB3 SER B 892 -12.445 9.085 1.533 1.00 0.00 H new ATOM 0 HG SER B 892 -14.737 9.025 0.983 1.00 0.00 H new ATOM 1410 N ARG B 893 -13.638 12.540 0.150 1.00 0.00 N ATOM 1411 CA ARG B 893 -14.403 13.583 0.824 1.00 0.00 C ATOM 1412 C ARG B 893 -15.861 13.549 0.377 1.00 0.00 C ATOM 1413 O ARG B 893 -16.699 12.911 1.014 1.00 0.00 O ATOM 1414 CB ARG B 893 -13.801 14.956 0.509 1.00 0.00 C ATOM 1415 CG ARG B 893 -14.640 16.045 1.180 1.00 0.00 C ATOM 1416 CD ARG B 893 -13.865 17.365 1.173 1.00 0.00 C ATOM 1417 NE ARG B 893 -14.602 18.386 1.907 1.00 0.00 N ATOM 1418 CZ ARG B 893 -14.673 18.362 3.235 1.00 0.00 C ATOM 1419 NH1 ARG B 893 -14.077 17.412 3.902 1.00 0.00 N ATOM 1420 NH2 ARG B 893 -15.337 19.288 3.871 1.00 0.00 N ATOM 0 H ARG B 893 -13.081 12.864 -0.640 1.00 0.00 H new ATOM 0 HA ARG B 893 -14.360 13.405 1.899 1.00 0.00 H new ATOM 0 HB2 ARG B 893 -12.772 15.004 0.864 1.00 0.00 H new ATOM 0 HB3 ARG B 893 -13.774 15.115 -0.569 1.00 0.00 H new ATOM 0 HG2 ARG B 893 -15.587 16.165 0.654 1.00 0.00 H new ATOM 0 HG3 ARG B 893 -14.878 15.756 2.204 1.00 0.00 H new ATOM 0 HD2 ARG B 893 -12.883 17.221 1.623 1.00 0.00 H new ATOM 0 HD3 ARG B 893 -13.700 17.693 0.147 1.00 0.00 H new ATOM 0 HE ARG B 893 -15.071 19.132 1.393 1.00 0.00 H new ATOM 0 HH11 ARG B 893 -13.557 16.689 3.405 1.00 0.00 H new ATOM 0 HH12 ARG B 893 -14.131 17.393 4.920 1.00 0.00 H new ATOM 0 HH21 ARG B 893 -15.802 20.031 3.350 1.00 0.00 H new ATOM 0 HH22 ARG B 893 -15.391 19.269 4.889 1.00 0.00 H new ATOM 1434 N ALA B 894 -16.156 14.237 -0.722 1.00 0.00 N ATOM 1435 CA ALA B 894 -17.518 14.278 -1.250 1.00 0.00 C ATOM 1436 C ALA B 894 -17.779 13.076 -2.151 1.00 0.00 C ATOM 1437 O ALA B 894 -17.949 13.222 -3.363 1.00 0.00 O ATOM 1438 CB ALA B 894 -17.729 15.568 -2.046 1.00 0.00 C ATOM 0 H ALA B 894 -15.476 14.771 -1.262 1.00 0.00 H new ATOM 0 HA ALA B 894 -18.214 14.248 -0.412 1.00 0.00 H new ATOM 0 HB1 ALA B 894 -18.746 15.592 -2.437 1.00 0.00 H new ATOM 0 HB2 ALA B 894 -17.570 16.428 -1.395 1.00 0.00 H new ATOM 0 HB3 ALA B 894 -17.021 15.604 -2.874 1.00 0.00 H new ATOM 1444 N GLU B 895 -17.809 11.889 -1.555 1.00 0.00 N ATOM 1445 CA GLU B 895 -18.049 10.668 -2.317 1.00 0.00 C ATOM 1446 C GLU B 895 -19.386 10.745 -3.048 1.00 0.00 C ATOM 1447 O GLU B 895 -20.330 11.375 -2.570 1.00 0.00 O ATOM 1448 CB GLU B 895 -18.041 9.454 -1.380 1.00 0.00 C ATOM 1449 CG GLU B 895 -19.097 9.633 -0.282 1.00 0.00 C ATOM 1450 CD GLU B 895 -20.485 9.300 -0.824 1.00 0.00 C ATOM 1451 OE1 GLU B 895 -20.668 8.184 -1.282 1.00 0.00 O ATOM 1452 OE2 GLU B 895 -21.342 10.167 -0.775 1.00 0.00 O ATOM 0 H GLU B 895 -17.671 11.746 -0.554 1.00 0.00 H new ATOM 0 HA GLU B 895 -17.253 10.560 -3.054 1.00 0.00 H new ATOM 0 HB2 GLU B 895 -18.244 8.545 -1.947 1.00 0.00 H new ATOM 0 HB3 GLU B 895 -17.054 9.336 -0.932 1.00 0.00 H new ATOM 0 HG2 GLU B 895 -18.865 8.987 0.564 1.00 0.00 H new ATOM 0 HG3 GLU B 895 -19.079 10.659 0.086 1.00 0.00 H new ATOM 1459 N ARG B 896 -19.458 10.101 -4.208 1.00 0.00 N ATOM 1460 CA ARG B 896 -20.684 10.104 -4.998 1.00 0.00 C ATOM 1461 C ARG B 896 -21.739 9.211 -4.353 1.00 0.00 C ATOM 1462 O ARG B 896 -22.807 9.680 -3.959 1.00 0.00 O ATOM 1463 CB ARG B 896 -20.395 9.610 -6.417 1.00 0.00 C ATOM 1464 CG ARG B 896 -21.672 9.686 -7.255 1.00 0.00 C ATOM 1465 CD ARG B 896 -21.329 9.479 -8.730 1.00 0.00 C ATOM 1466 NE ARG B 896 -20.530 8.271 -8.899 1.00 0.00 N ATOM 1467 CZ ARG B 896 -21.090 7.066 -8.860 1.00 0.00 C ATOM 1468 NH1 ARG B 896 -22.375 6.949 -8.670 1.00 0.00 N ATOM 1469 NH2 ARG B 896 -20.354 5.999 -9.013 1.00 0.00 N ATOM 0 H ARG B 896 -18.688 9.574 -4.620 1.00 0.00 H new ATOM 0 HA ARG B 896 -21.063 11.125 -5.040 1.00 0.00 H new ATOM 0 HB2 ARG B 896 -19.612 10.217 -6.872 1.00 0.00 H new ATOM 0 HB3 ARG B 896 -20.027 8.584 -6.388 1.00 0.00 H new ATOM 0 HG2 ARG B 896 -22.381 8.926 -6.926 1.00 0.00 H new ATOM 0 HG3 ARG B 896 -22.154 10.654 -7.115 1.00 0.00 H new ATOM 0 HD2 ARG B 896 -22.245 9.402 -9.316 1.00 0.00 H new ATOM 0 HD3 ARG B 896 -20.780 10.342 -9.107 1.00 0.00 H new ATOM 0 HE ARG B 896 -19.524 8.352 -9.050 1.00 0.00 H new ATOM 0 HH11 ARG B 896 -22.951 7.782 -8.551 1.00 0.00 H new ATOM 0 HH12 ARG B 896 -22.804 6.024 -8.640 1.00 0.00 H new ATOM 0 HH21 ARG B 896 -19.349 6.090 -9.162 1.00 0.00 H new ATOM 0 HH22 ARG B 896 -20.784 5.074 -8.983 1.00 0.00 H new ATOM 1483 N ALA B 897 -21.432 7.923 -4.247 1.00 0.00 N ATOM 1484 CA ALA B 897 -22.363 6.973 -3.647 1.00 0.00 C ATOM 1485 C ALA B 897 -21.657 5.659 -3.328 1.00 0.00 C ATOM 1486 O ALA B 897 -20.780 5.218 -4.071 1.00 0.00 O ATOM 1487 CB ALA B 897 -23.528 6.710 -4.603 1.00 0.00 C ATOM 0 H ALA B 897 -20.553 7.515 -4.566 1.00 0.00 H new ATOM 0 HA ALA B 897 -22.743 7.402 -2.720 1.00 0.00 H new ATOM 0 HB1 ALA B 897 -24.219 6.000 -4.148 1.00 0.00 H new ATOM 0 HB2 ALA B 897 -24.050 7.645 -4.806 1.00 0.00 H new ATOM 0 HB3 ALA B 897 -23.146 6.297 -5.537 1.00 0.00 H new ATOM 1493 N ARG B 898 -22.046 5.037 -2.220 1.00 0.00 N ATOM 1494 CA ARG B 898 -21.445 3.772 -1.812 1.00 0.00 C ATOM 1495 C ARG B 898 -21.955 2.632 -2.688 1.00 0.00 C ATOM 1496 O ARG B 898 -21.203 2.056 -3.475 1.00 0.00 O ATOM 1497 CB ARG B 898 -21.783 3.483 -0.343 1.00 0.00 C ATOM 1498 CG ARG B 898 -20.851 2.386 0.213 1.00 0.00 C ATOM 1499 CD ARG B 898 -19.565 3.013 0.768 1.00 0.00 C ATOM 1500 NE ARG B 898 -18.531 1.995 0.914 1.00 0.00 N ATOM 1501 CZ ARG B 898 -17.451 2.214 1.656 1.00 0.00 C ATOM 1502 NH1 ARG B 898 -17.302 3.355 2.269 1.00 0.00 N ATOM 1503 NH2 ARG B 898 -16.540 1.287 1.772 1.00 0.00 N ATOM 0 H ARG B 898 -22.770 5.385 -1.592 1.00 0.00 H new ATOM 0 HA ARG B 898 -20.364 3.849 -1.927 1.00 0.00 H new ATOM 0 HB2 ARG B 898 -21.678 4.393 0.248 1.00 0.00 H new ATOM 0 HB3 ARG B 898 -22.822 3.165 -0.257 1.00 0.00 H new ATOM 0 HG2 ARG B 898 -21.361 1.829 0.999 1.00 0.00 H new ATOM 0 HG3 ARG B 898 -20.606 1.673 -0.575 1.00 0.00 H new ATOM 0 HD2 ARG B 898 -19.218 3.801 0.100 1.00 0.00 H new ATOM 0 HD3 ARG B 898 -19.766 3.479 1.733 1.00 0.00 H new ATOM 0 HE ARG B 898 -18.639 1.099 0.438 1.00 0.00 H new ATOM 0 HH11 ARG B 898 -18.015 4.079 2.179 1.00 0.00 H new ATOM 0 HH12 ARG B 898 -16.473 3.523 2.839 1.00 0.00 H new ATOM 0 HH21 ARG B 898 -16.657 0.394 1.293 1.00 0.00 H new ATOM 0 HH22 ARG B 898 -15.711 1.455 2.342 1.00 0.00 H new ATOM 1517 N SER B 899 -23.237 2.311 -2.545 1.00 0.00 N ATOM 1518 CA SER B 899 -23.836 1.237 -3.329 1.00 0.00 C ATOM 1519 C SER B 899 -23.054 -0.061 -3.148 1.00 0.00 C ATOM 1520 O SER B 899 -22.379 -0.523 -4.068 1.00 0.00 O ATOM 1521 CB SER B 899 -23.857 1.620 -4.809 1.00 0.00 C ATOM 1522 OG SER B 899 -24.639 2.794 -4.979 1.00 0.00 O ATOM 0 H SER B 899 -23.876 2.775 -1.899 1.00 0.00 H new ATOM 0 HA SER B 899 -24.857 1.084 -2.979 1.00 0.00 H new ATOM 0 HB2 SER B 899 -22.842 1.791 -5.167 1.00 0.00 H new ATOM 0 HB3 SER B 899 -24.271 0.804 -5.402 1.00 0.00 H new ATOM 0 HG SER B 899 -24.653 3.043 -5.927 1.00 0.00 H new ATOM 1528 N THR B 900 -23.153 -0.642 -1.958 1.00 0.00 N ATOM 1529 CA THR B 900 -22.450 -1.887 -1.667 1.00 0.00 C ATOM 1530 C THR B 900 -20.959 -1.740 -1.957 1.00 0.00 C ATOM 1531 O THR B 900 -20.413 -0.697 -1.640 1.00 0.00 O ATOM 1532 CB THR B 900 -23.026 -3.023 -2.513 1.00 0.00 C ATOM 1533 OG1 THR B 900 -22.497 -2.946 -3.830 1.00 0.00 O ATOM 1534 CG2 THR B 900 -24.550 -2.899 -2.565 1.00 0.00 C ATOM 1535 OXT THR B 900 -20.385 -2.675 -2.492 1.00 0.00 O ATOM 0 H THR B 900 -23.708 -0.275 -1.185 1.00 0.00 H new ATOM 0 HA THR B 900 -22.583 -2.119 -0.610 1.00 0.00 H new ATOM 0 HB THR B 900 -22.756 -3.981 -2.069 1.00 0.00 H new ATOM 0 HG1 THR B 900 -22.852 -2.151 -4.279 1.00 0.00 H new ATOM 0 HG21 THR B 900 -24.961 -3.709 -3.168 1.00 0.00 H new ATOM 0 HG22 THR B 900 -24.955 -2.958 -1.555 1.00 0.00 H new ATOM 0 HG23 THR B 900 -24.822 -1.942 -3.009 1.00 0.00 H new TER 1543 THR B 900