USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=24 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= -1.18 K(o=-1.5,f=-0.84) USER MOD Set 1.2: A 541 THR OG1 : rot 180:sc= -0.295 USER MOD Single : A 501 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 503 TYR OH : rot 180:sc= -0.212 USER MOD Single : A 511 HIS : no HD1:sc= -6.23! C(o=-6.2!,f=-8.6!) USER MOD Single : A 515 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 516 THR OG1 : rot -17:sc= 0.39 USER MOD Single : A 521 HIS : no HD1:sc= -0.154 K(o=-0.15,f=-1.5) USER MOD Single : A 524 GLN : amide:sc= -3.32 X(o=-3.3,f=-3.8!) USER MOD Single : A 525 GLN : amide:sc= -0.0117 X(o=-0.012,f=-0.3) USER MOD Single : A 528 ASN : amide:sc= -5.46! K(o=-5.5!,f=-2.5) USER MOD Single : A 533 THR OG1 : rot -33:sc= -0.858 USER MOD Single : A 535 HIS : no HD1:sc= -4.36! C(o=-4.4!,f=-4.9!) USER MOD Single : A 537 HIS : no HD1:sc= -0.0332 X(o=-0.033,f=-0.033) USER MOD Single : A 539 THR OG1 : rot 180:sc=-0.00891 USER MOD Single : A 542 THR OG1 : rot 180:sc= -1.42! USER MOD Single : A 548 CYS SG : rot 180:sc= -1.93 USER MOD Single : A 549 SER OG : rot -80:sc= 0.985 USER MOD Single : A 552 LYS NZ :NH3+ -158:sc= -0.0179 (180deg=-0.325) USER MOD Single : A 553 THR OG1 : rot 180:sc=0.000492 USER MOD Single : A 554 THR OG1 : rot 180:sc= -0.447 USER MOD Single : A 557 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0703) USER MOD Single : A 559 GLN : amide:sc= -9.02! K(o=-9!,f=-4.1) USER MOD Single : A 560 SER OG : rot -67:sc= 0.904 USER MOD Single : A 561 TYR OH : rot 180:sc= 0 USER MOD Single : A 564 THR OG1 : rot -130:sc= 0.0502 USER MOD Single : A 565 SER OG : rot -65:sc= 0.108 USER MOD Single : A 567 THR OG1 : rot 180:sc= 0 USER MOD Single : A 568 SER OG : rot 180:sc= 0 USER MOD Single : B 876 THR OG1 : rot 180:sc= 0 USER MOD Single : B 877 ASN : amide:sc= -0.873! C(o=-0.87!,f=-0.9!) USER MOD Single : B 878 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 882 SER OG : rot -129:sc= 0.00898 USER MOD Single : B 887 SER OG : rot 177:sc= -0.371 USER MOD Single : B 892 SER OG : rot 180:sc= 0 USER MOD Single : B 899 SER OG : rot -63:sc= 0.521 USER MOD Single : B 900 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 500 2.822 -21.044 -4.629 1.00 0.00 N ATOM 2 CA ASP A 500 4.300 -20.855 -4.655 1.00 0.00 C ATOM 3 C ASP A 500 4.750 -20.214 -3.348 1.00 0.00 C ATOM 4 O ASP A 500 3.954 -20.041 -2.424 1.00 0.00 O ATOM 5 CB ASP A 500 4.676 -19.956 -5.835 1.00 0.00 C ATOM 6 CG ASP A 500 4.250 -20.611 -7.144 1.00 0.00 C ATOM 7 OD1 ASP A 500 4.833 -21.623 -7.494 1.00 0.00 O ATOM 8 OD2 ASP A 500 3.348 -20.089 -7.779 1.00 0.00 O ATOM 0 HA ASP A 500 4.794 -21.820 -4.769 1.00 0.00 H new ATOM 0 HB2 ASP A 500 4.194 -18.984 -5.731 1.00 0.00 H new ATOM 0 HB3 ASP A 500 5.752 -19.779 -5.840 1.00 0.00 H new ATOM 15 N LYS A 501 6.036 -19.864 -3.273 1.00 0.00 N ATOM 16 CA LYS A 501 6.600 -19.240 -2.070 1.00 0.00 C ATOM 17 C LYS A 501 7.272 -17.917 -2.416 1.00 0.00 C ATOM 18 O LYS A 501 7.469 -17.063 -1.551 1.00 0.00 O ATOM 19 CB LYS A 501 7.623 -20.181 -1.432 1.00 0.00 C ATOM 20 CG LYS A 501 7.951 -19.700 -0.016 1.00 0.00 C ATOM 21 CD LYS A 501 9.035 -20.594 0.589 1.00 0.00 C ATOM 22 CE LYS A 501 9.582 -19.946 1.861 1.00 0.00 C ATOM 23 NZ LYS A 501 10.640 -20.816 2.448 1.00 0.00 N ATOM 0 H LYS A 501 6.707 -20.001 -4.029 1.00 0.00 H new ATOM 0 HA LYS A 501 5.789 -19.048 -1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 501 7.227 -21.196 -1.399 1.00 0.00 H new ATOM 0 HB3 LYS A 501 8.530 -20.212 -2.036 1.00 0.00 H new ATOM 0 HG2 LYS A 501 8.291 -18.665 -0.042 1.00 0.00 H new ATOM 0 HG3 LYS A 501 7.055 -19.726 0.605 1.00 0.00 H new ATOM 0 HD2 LYS A 501 8.624 -21.577 0.817 1.00 0.00 H new ATOM 0 HD3 LYS A 501 9.840 -20.744 -0.130 1.00 0.00 H new ATOM 0 HE2 LYS A 501 9.991 -18.962 1.633 1.00 0.00 H new ATOM 0 HE3 LYS A 501 8.777 -19.798 2.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 501 11.012 -20.375 3.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 501 10.236 -21.746 2.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 501 11.412 -20.935 1.761 1.00 0.00 H new ATOM 37 N ALA A 502 7.620 -17.754 -3.685 1.00 0.00 N ATOM 38 CA ALA A 502 8.273 -16.531 -4.140 1.00 0.00 C ATOM 39 C ALA A 502 7.358 -15.328 -3.934 1.00 0.00 C ATOM 40 O ALA A 502 7.762 -14.319 -3.358 1.00 0.00 O ATOM 41 CB ALA A 502 8.634 -16.650 -5.620 1.00 0.00 C ATOM 0 H ALA A 502 7.463 -18.448 -4.415 1.00 0.00 H new ATOM 0 HA ALA A 502 9.182 -16.388 -3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 502 9.121 -15.733 -5.951 1.00 0.00 H new ATOM 0 HB2 ALA A 502 9.311 -17.492 -5.763 1.00 0.00 H new ATOM 0 HB3 ALA A 502 7.728 -16.810 -6.204 1.00 0.00 H new ATOM 47 N TYR A 503 6.125 -15.438 -4.418 1.00 0.00 N ATOM 48 CA TYR A 503 5.166 -14.346 -4.289 1.00 0.00 C ATOM 49 C TYR A 503 5.183 -13.779 -2.873 1.00 0.00 C ATOM 50 O TYR A 503 5.496 -12.608 -2.673 1.00 0.00 O ATOM 51 CB TYR A 503 3.758 -14.848 -4.626 1.00 0.00 C ATOM 52 CG TYR A 503 2.835 -13.669 -4.828 1.00 0.00 C ATOM 53 CD1 TYR A 503 3.042 -12.800 -5.908 1.00 0.00 C ATOM 54 CD2 TYR A 503 1.777 -13.438 -3.939 1.00 0.00 C ATOM 55 CE1 TYR A 503 2.194 -11.704 -6.098 1.00 0.00 C ATOM 56 CE2 TYR A 503 0.926 -12.342 -4.132 1.00 0.00 C ATOM 57 CZ TYR A 503 1.136 -11.474 -5.211 1.00 0.00 C ATOM 58 OH TYR A 503 0.298 -10.394 -5.400 1.00 0.00 O ATOM 0 H TYR A 503 5.768 -16.264 -4.899 1.00 0.00 H new ATOM 0 HA TYR A 503 5.447 -13.555 -4.985 1.00 0.00 H new ATOM 0 HB2 TYR A 503 3.785 -15.460 -5.527 1.00 0.00 H new ATOM 0 HB3 TYR A 503 3.385 -15.482 -3.822 1.00 0.00 H new ATOM 0 HD1 TYR A 503 3.857 -12.977 -6.594 1.00 0.00 H new ATOM 0 HD2 TYR A 503 1.617 -14.105 -3.105 1.00 0.00 H new ATOM 0 HE1 TYR A 503 2.356 -11.035 -6.930 1.00 0.00 H new ATOM 0 HE2 TYR A 503 0.108 -12.166 -3.449 1.00 0.00 H new ATOM 0 HH TYR A 503 -0.384 -10.382 -4.696 1.00 0.00 H new ATOM 68 N LEU A 504 4.849 -14.610 -1.891 1.00 0.00 N ATOM 69 CA LEU A 504 4.838 -14.160 -0.501 1.00 0.00 C ATOM 70 C LEU A 504 6.084 -13.329 -0.196 1.00 0.00 C ATOM 71 O LEU A 504 5.990 -12.223 0.336 1.00 0.00 O ATOM 72 CB LEU A 504 4.778 -15.371 0.443 1.00 0.00 C ATOM 73 CG LEU A 504 3.348 -15.921 0.497 1.00 0.00 C ATOM 74 CD1 LEU A 504 2.944 -16.451 -0.883 1.00 0.00 C ATOM 75 CD2 LEU A 504 3.283 -17.059 1.522 1.00 0.00 C ATOM 0 H LEU A 504 4.585 -15.586 -2.027 1.00 0.00 H new ATOM 0 HA LEU A 504 3.956 -13.538 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 504 5.462 -16.146 0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 504 5.103 -15.081 1.442 1.00 0.00 H new ATOM 0 HG LEU A 504 2.664 -15.124 0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 504 1.927 -16.841 -0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 504 2.992 -15.642 -1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 504 3.626 -17.248 -1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 504 2.268 -17.453 1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 504 3.969 -17.853 1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 504 3.566 -16.681 2.504 1.00 0.00 H new ATOM 87 N ASP A 505 7.247 -13.873 -0.535 1.00 0.00 N ATOM 88 CA ASP A 505 8.505 -13.178 -0.294 1.00 0.00 C ATOM 89 C ASP A 505 8.420 -11.732 -0.776 1.00 0.00 C ATOM 90 O ASP A 505 8.871 -10.813 -0.093 1.00 0.00 O ATOM 91 CB ASP A 505 9.650 -13.893 -1.016 1.00 0.00 C ATOM 92 CG ASP A 505 10.992 -13.439 -0.450 1.00 0.00 C ATOM 93 OD1 ASP A 505 11.445 -12.373 -0.833 1.00 0.00 O ATOM 94 OD2 ASP A 505 11.548 -14.165 0.358 1.00 0.00 O ATOM 0 H ASP A 505 7.345 -14.788 -0.975 1.00 0.00 H new ATOM 0 HA ASP A 505 8.698 -13.182 0.779 1.00 0.00 H new ATOM 0 HB2 ASP A 505 9.545 -14.972 -0.902 1.00 0.00 H new ATOM 0 HB3 ASP A 505 9.606 -13.680 -2.084 1.00 0.00 H new ATOM 99 N GLU A 506 7.836 -11.538 -1.955 1.00 0.00 N ATOM 100 CA GLU A 506 7.699 -10.199 -2.515 1.00 0.00 C ATOM 101 C GLU A 506 6.846 -9.327 -1.601 1.00 0.00 C ATOM 102 O GLU A 506 7.011 -8.107 -1.560 1.00 0.00 O ATOM 103 CB GLU A 506 7.058 -10.271 -3.901 1.00 0.00 C ATOM 104 CG GLU A 506 7.866 -11.216 -4.792 1.00 0.00 C ATOM 105 CD GLU A 506 9.250 -10.631 -5.052 1.00 0.00 C ATOM 106 OE1 GLU A 506 9.354 -9.417 -5.124 1.00 0.00 O ATOM 107 OE2 GLU A 506 10.184 -11.405 -5.173 1.00 0.00 O ATOM 0 H GLU A 506 7.453 -12.284 -2.536 1.00 0.00 H new ATOM 0 HA GLU A 506 8.692 -9.758 -2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 506 6.030 -10.623 -3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 506 7.021 -9.277 -4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 506 7.958 -12.191 -4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 506 7.345 -11.373 -5.737 1.00 0.00 H new ATOM 114 N LEU A 507 5.939 -9.959 -0.865 1.00 0.00 N ATOM 115 CA LEU A 507 5.071 -9.232 0.051 1.00 0.00 C ATOM 116 C LEU A 507 5.803 -8.957 1.360 1.00 0.00 C ATOM 117 O LEU A 507 5.766 -7.841 1.875 1.00 0.00 O ATOM 118 CB LEU A 507 3.807 -10.046 0.332 1.00 0.00 C ATOM 119 CG LEU A 507 3.293 -10.668 -0.968 1.00 0.00 C ATOM 120 CD1 LEU A 507 1.941 -11.333 -0.708 1.00 0.00 C ATOM 121 CD2 LEU A 507 3.128 -9.579 -2.031 1.00 0.00 C ATOM 0 H LEU A 507 5.787 -10.967 -0.885 1.00 0.00 H new ATOM 0 HA LEU A 507 4.793 -8.284 -0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 507 4.021 -10.828 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 507 3.040 -9.406 0.768 1.00 0.00 H new ATOM 0 HG LEU A 507 4.007 -11.411 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 507 1.571 -11.778 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 507 2.057 -12.110 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 507 1.230 -10.586 -0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 507 2.762 -10.025 -2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 507 2.414 -8.834 -1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 507 4.090 -9.101 -2.215 1.00 0.00 H new ATOM 133 N VAL A 508 6.468 -9.975 1.895 1.00 0.00 N ATOM 134 CA VAL A 508 7.201 -9.807 3.143 1.00 0.00 C ATOM 135 C VAL A 508 8.190 -8.653 3.027 1.00 0.00 C ATOM 136 O VAL A 508 8.135 -7.692 3.792 1.00 0.00 O ATOM 137 CB VAL A 508 7.956 -11.087 3.500 1.00 0.00 C ATOM 138 CG1 VAL A 508 8.680 -10.885 4.834 1.00 0.00 C ATOM 139 CG2 VAL A 508 6.965 -12.245 3.627 1.00 0.00 C ATOM 0 H VAL A 508 6.515 -10.911 1.492 1.00 0.00 H new ATOM 0 HA VAL A 508 6.480 -9.587 3.930 1.00 0.00 H new ATOM 0 HB VAL A 508 8.681 -11.317 2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 508 9.221 -11.794 5.096 1.00 0.00 H new ATOM 0 HG12 VAL A 508 9.383 -10.057 4.745 1.00 0.00 H new ATOM 0 HG13 VAL A 508 7.952 -10.660 5.613 1.00 0.00 H new ATOM 0 HG21 VAL A 508 7.503 -13.158 3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 508 6.241 -12.020 4.410 1.00 0.00 H new ATOM 0 HG23 VAL A 508 6.444 -12.383 2.680 1.00 0.00 H new ATOM 149 N GLU A 509 9.094 -8.761 2.054 1.00 0.00 N ATOM 150 CA GLU A 509 10.096 -7.721 1.834 1.00 0.00 C ATOM 151 C GLU A 509 9.443 -6.347 1.900 1.00 0.00 C ATOM 152 O GLU A 509 9.850 -5.493 2.689 1.00 0.00 O ATOM 153 CB GLU A 509 10.758 -7.911 0.468 1.00 0.00 C ATOM 154 CG GLU A 509 11.618 -9.175 0.487 1.00 0.00 C ATOM 155 CD GLU A 509 11.995 -9.570 -0.937 1.00 0.00 C ATOM 156 OE1 GLU A 509 11.100 -9.915 -1.691 1.00 0.00 O ATOM 157 OE2 GLU A 509 13.172 -9.521 -1.252 1.00 0.00 O ATOM 0 H GLU A 509 9.153 -9.551 1.411 1.00 0.00 H new ATOM 0 HA GLU A 509 10.855 -7.795 2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 509 9.997 -7.988 -0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 509 11.373 -7.044 0.227 1.00 0.00 H new ATOM 0 HG2 GLU A 509 12.519 -9.003 1.076 1.00 0.00 H new ATOM 0 HG3 GLU A 509 11.073 -9.988 0.967 1.00 0.00 H new ATOM 164 N LEU A 510 8.423 -6.139 1.075 1.00 0.00 N ATOM 165 CA LEU A 510 7.723 -4.863 1.068 1.00 0.00 C ATOM 166 C LEU A 510 7.144 -4.593 2.455 1.00 0.00 C ATOM 167 O LEU A 510 7.403 -3.550 3.052 1.00 0.00 O ATOM 168 CB LEU A 510 6.601 -4.880 0.003 1.00 0.00 C ATOM 169 CG LEU A 510 7.086 -4.232 -1.304 1.00 0.00 C ATOM 170 CD1 LEU A 510 8.225 -5.059 -1.906 1.00 0.00 C ATOM 171 CD2 LEU A 510 5.926 -4.163 -2.301 1.00 0.00 C ATOM 0 H LEU A 510 8.067 -6.827 0.412 1.00 0.00 H new ATOM 0 HA LEU A 510 8.422 -4.066 0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 510 6.289 -5.907 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 510 5.728 -4.346 0.378 1.00 0.00 H new ATOM 0 HG LEU A 510 7.447 -3.226 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 510 8.563 -4.593 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 510 9.054 -5.105 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 510 7.870 -6.068 -2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 510 6.270 -3.704 -3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 510 5.564 -5.170 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 510 5.118 -3.566 -1.878 1.00 0.00 H new ATOM 183 N HIS A 511 6.356 -5.536 2.958 1.00 0.00 N ATOM 184 CA HIS A 511 5.744 -5.391 4.271 1.00 0.00 C ATOM 185 C HIS A 511 6.751 -4.874 5.293 1.00 0.00 C ATOM 186 O HIS A 511 6.597 -3.779 5.835 1.00 0.00 O ATOM 187 CB HIS A 511 5.197 -6.739 4.735 1.00 0.00 C ATOM 188 CG HIS A 511 4.593 -6.584 6.100 1.00 0.00 C ATOM 189 ND1 HIS A 511 3.394 -5.925 6.301 1.00 0.00 N ATOM 190 CD2 HIS A 511 5.015 -6.989 7.342 1.00 0.00 C ATOM 191 CE1 HIS A 511 3.138 -5.949 7.622 1.00 0.00 C ATOM 192 NE2 HIS A 511 4.093 -6.586 8.302 1.00 0.00 N ATOM 0 H HIS A 511 6.127 -6.406 2.478 1.00 0.00 H new ATOM 0 HA HIS A 511 4.932 -4.668 4.190 1.00 0.00 H new ATOM 0 HB2 HIS A 511 4.447 -7.102 4.032 1.00 0.00 H new ATOM 0 HB3 HIS A 511 5.996 -7.480 4.760 1.00 0.00 H new ATOM 0 HD2 HIS A 511 5.924 -7.537 7.543 1.00 0.00 H new ATOM 0 HE1 HIS A 511 2.264 -5.506 8.077 1.00 0.00 H new ATOM 0 HE2 HIS A 511 4.137 -6.743 9.309 1.00 0.00 H new ATOM 201 N ARG A 512 7.780 -5.674 5.556 1.00 0.00 N ATOM 202 CA ARG A 512 8.808 -5.298 6.520 1.00 0.00 C ATOM 203 C ARG A 512 9.321 -3.888 6.234 1.00 0.00 C ATOM 204 O ARG A 512 9.392 -3.049 7.131 1.00 0.00 O ATOM 205 CB ARG A 512 9.967 -6.306 6.461 1.00 0.00 C ATOM 206 CG ARG A 512 9.600 -7.580 7.241 1.00 0.00 C ATOM 207 CD ARG A 512 9.526 -7.298 8.757 1.00 0.00 C ATOM 208 NE ARG A 512 8.148 -7.031 9.153 1.00 0.00 N ATOM 209 CZ ARG A 512 7.857 -6.606 10.379 1.00 0.00 C ATOM 210 NH1 ARG A 512 8.810 -6.422 11.250 1.00 0.00 N ATOM 211 NH2 ARG A 512 6.617 -6.371 10.710 1.00 0.00 N ATOM 0 H ARG A 512 7.924 -6.583 5.117 1.00 0.00 H new ATOM 0 HA ARG A 512 8.374 -5.309 7.520 1.00 0.00 H new ATOM 0 HB2 ARG A 512 10.189 -6.557 5.424 1.00 0.00 H new ATOM 0 HB3 ARG A 512 10.869 -5.860 6.881 1.00 0.00 H new ATOM 0 HG2 ARG A 512 8.641 -7.961 6.891 1.00 0.00 H new ATOM 0 HG3 ARG A 512 10.341 -8.356 7.047 1.00 0.00 H new ATOM 0 HD2 ARG A 512 9.913 -8.152 9.313 1.00 0.00 H new ATOM 0 HD3 ARG A 512 10.156 -6.444 9.007 1.00 0.00 H new ATOM 0 HE ARG A 512 7.396 -7.172 8.479 1.00 0.00 H new ATOM 0 HH11 ARG A 512 9.780 -6.604 10.991 1.00 0.00 H new ATOM 0 HH12 ARG A 512 8.586 -6.096 12.190 1.00 0.00 H new ATOM 0 HH21 ARG A 512 5.872 -6.513 10.029 1.00 0.00 H new ATOM 0 HH22 ARG A 512 6.393 -6.045 11.650 1.00 0.00 H new ATOM 225 N ARG A 513 9.684 -3.639 4.982 1.00 0.00 N ATOM 226 CA ARG A 513 10.200 -2.331 4.591 1.00 0.00 C ATOM 227 C ARG A 513 9.164 -1.239 4.840 1.00 0.00 C ATOM 228 O ARG A 513 9.503 -0.142 5.280 1.00 0.00 O ATOM 229 CB ARG A 513 10.584 -2.344 3.111 1.00 0.00 C ATOM 230 CG ARG A 513 11.837 -3.201 2.916 1.00 0.00 C ATOM 231 CD ARG A 513 12.089 -3.404 1.421 1.00 0.00 C ATOM 232 NE ARG A 513 12.227 -2.115 0.753 1.00 0.00 N ATOM 233 CZ ARG A 513 12.718 -2.029 -0.479 1.00 0.00 C ATOM 234 NH1 ARG A 513 13.087 -3.110 -1.110 1.00 0.00 N ATOM 235 NH2 ARG A 513 12.832 -0.866 -1.057 1.00 0.00 N ATOM 0 H ARG A 513 9.632 -4.319 4.224 1.00 0.00 H new ATOM 0 HA ARG A 513 11.081 -2.118 5.196 1.00 0.00 H new ATOM 0 HB2 ARG A 513 9.763 -2.741 2.515 1.00 0.00 H new ATOM 0 HB3 ARG A 513 10.768 -1.328 2.763 1.00 0.00 H new ATOM 0 HG2 ARG A 513 12.697 -2.717 3.378 1.00 0.00 H new ATOM 0 HG3 ARG A 513 11.711 -4.165 3.409 1.00 0.00 H new ATOM 0 HD2 ARG A 513 12.992 -3.996 1.274 1.00 0.00 H new ATOM 0 HD3 ARG A 513 11.265 -3.964 0.979 1.00 0.00 H new ATOM 0 HE ARG A 513 11.942 -1.265 1.240 1.00 0.00 H new ATOM 0 HH11 ARG A 513 12.998 -4.020 -0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 513 13.464 -3.045 -2.056 1.00 0.00 H new ATOM 0 HH21 ARG A 513 12.544 -0.021 -0.564 1.00 0.00 H new ATOM 0 HH22 ARG A 513 13.209 -0.801 -2.003 1.00 0.00 H new ATOM 249 N LEU A 514 7.904 -1.547 4.552 1.00 0.00 N ATOM 250 CA LEU A 514 6.827 -0.582 4.741 1.00 0.00 C ATOM 251 C LEU A 514 6.672 -0.234 6.218 1.00 0.00 C ATOM 252 O LEU A 514 6.518 0.932 6.582 1.00 0.00 O ATOM 253 CB LEU A 514 5.510 -1.158 4.204 1.00 0.00 C ATOM 254 CG LEU A 514 5.500 -1.114 2.661 1.00 0.00 C ATOM 255 CD1 LEU A 514 4.558 -2.194 2.117 1.00 0.00 C ATOM 256 CD2 LEU A 514 5.013 0.258 2.169 1.00 0.00 C ATOM 0 H LEU A 514 7.604 -2.452 4.189 1.00 0.00 H new ATOM 0 HA LEU A 514 7.076 0.326 4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 514 5.387 -2.185 4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 514 4.668 -0.588 4.597 1.00 0.00 H new ATOM 0 HG LEU A 514 6.515 -1.289 2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 514 4.555 -2.159 1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 514 4.900 -3.175 2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 514 3.549 -2.017 2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 514 5.011 0.274 1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 514 4.003 0.439 2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 514 5.679 1.036 2.542 1.00 0.00 H new ATOM 268 N MET A 515 6.694 -1.259 7.061 1.00 0.00 N ATOM 269 CA MET A 515 6.536 -1.065 8.496 1.00 0.00 C ATOM 270 C MET A 515 7.524 -0.035 9.029 1.00 0.00 C ATOM 271 O MET A 515 7.187 0.776 9.893 1.00 0.00 O ATOM 272 CB MET A 515 6.734 -2.396 9.227 1.00 0.00 C ATOM 273 CG MET A 515 6.505 -2.209 10.732 1.00 0.00 C ATOM 274 SD MET A 515 8.017 -1.574 11.499 1.00 0.00 S ATOM 275 CE MET A 515 8.807 -3.175 11.800 1.00 0.00 C ATOM 0 H MET A 515 6.819 -2.230 6.776 1.00 0.00 H new ATOM 0 HA MET A 515 5.527 -0.694 8.676 1.00 0.00 H new ATOM 0 HB2 MET A 515 6.042 -3.141 8.836 1.00 0.00 H new ATOM 0 HB3 MET A 515 7.741 -2.772 9.048 1.00 0.00 H new ATOM 0 HG2 MET A 515 5.680 -1.517 10.902 1.00 0.00 H new ATOM 0 HG3 MET A 515 6.224 -3.158 11.189 1.00 0.00 H new ATOM 0 HE1 MET A 515 9.774 -3.019 12.278 1.00 0.00 H new ATOM 0 HE2 MET A 515 8.173 -3.777 12.451 1.00 0.00 H new ATOM 0 HE3 MET A 515 8.950 -3.694 10.852 1.00 0.00 H new ATOM 285 N THR A 516 8.745 -0.071 8.505 1.00 0.00 N ATOM 286 CA THR A 516 9.782 0.866 8.931 1.00 0.00 C ATOM 287 C THR A 516 9.748 2.123 8.071 1.00 0.00 C ATOM 288 O THR A 516 10.228 3.179 8.481 1.00 0.00 O ATOM 289 CB THR A 516 11.157 0.203 8.812 1.00 0.00 C ATOM 290 OG1 THR A 516 11.430 -0.074 7.445 1.00 0.00 O ATOM 291 CG2 THR A 516 11.169 -1.100 9.612 1.00 0.00 C ATOM 0 H THR A 516 9.041 -0.734 7.789 1.00 0.00 H new ATOM 0 HA THR A 516 9.598 1.143 9.969 1.00 0.00 H new ATOM 0 HB THR A 516 11.920 0.874 9.206 1.00 0.00 H new ATOM 0 HG1 THR A 516 10.597 -0.033 6.930 1.00 0.00 H new ATOM 0 HG21 THR A 516 12.148 -1.571 9.526 1.00 0.00 H new ATOM 0 HG22 THR A 516 10.960 -0.885 10.660 1.00 0.00 H new ATOM 0 HG23 THR A 516 10.407 -1.774 9.221 1.00 0.00 H new ATOM 299 N LEU A 517 9.190 2.001 6.871 1.00 0.00 N ATOM 300 CA LEU A 517 9.114 3.138 5.962 1.00 0.00 C ATOM 301 C LEU A 517 8.416 4.318 6.632 1.00 0.00 C ATOM 302 O LEU A 517 7.440 4.139 7.359 1.00 0.00 O ATOM 303 CB LEU A 517 8.362 2.738 4.691 1.00 0.00 C ATOM 304 CG LEU A 517 8.397 3.876 3.662 1.00 0.00 C ATOM 305 CD1 LEU A 517 9.844 4.150 3.208 1.00 0.00 C ATOM 306 CD2 LEU A 517 7.546 3.469 2.457 1.00 0.00 C ATOM 0 H LEU A 517 8.788 1.136 6.509 1.00 0.00 H new ATOM 0 HA LEU A 517 10.128 3.441 5.700 1.00 0.00 H new ATOM 0 HB2 LEU A 517 8.810 1.841 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 517 7.328 2.493 4.935 1.00 0.00 H new ATOM 0 HG LEU A 517 8.002 4.786 4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 517 9.849 4.960 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 517 10.448 4.434 4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 517 10.260 3.250 2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 517 7.560 4.268 1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 517 7.951 2.558 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 517 6.520 3.291 2.779 1.00 0.00 H new ATOM 318 N ARG A 518 8.921 5.526 6.384 1.00 0.00 N ATOM 319 CA ARG A 518 8.337 6.736 6.970 1.00 0.00 C ATOM 320 C ARG A 518 8.235 7.839 5.920 1.00 0.00 C ATOM 321 O ARG A 518 7.824 8.959 6.222 1.00 0.00 O ATOM 322 CB ARG A 518 9.204 7.218 8.141 1.00 0.00 C ATOM 323 CG ARG A 518 9.028 6.284 9.357 1.00 0.00 C ATOM 324 CD ARG A 518 7.837 6.739 10.209 1.00 0.00 C ATOM 325 NE ARG A 518 7.653 5.834 11.338 1.00 0.00 N ATOM 326 CZ ARG A 518 6.613 5.957 12.156 1.00 0.00 C ATOM 327 NH1 ARG A 518 5.737 6.905 11.960 1.00 0.00 N ATOM 328 NH2 ARG A 518 6.468 5.133 13.157 1.00 0.00 N ATOM 0 H ARG A 518 9.729 5.695 5.785 1.00 0.00 H new ATOM 0 HA ARG A 518 7.336 6.500 7.332 1.00 0.00 H new ATOM 0 HB2 ARG A 518 10.252 7.242 7.841 1.00 0.00 H new ATOM 0 HB3 ARG A 518 8.927 8.236 8.413 1.00 0.00 H new ATOM 0 HG2 ARG A 518 8.871 5.260 9.018 1.00 0.00 H new ATOM 0 HG3 ARG A 518 9.936 6.285 9.959 1.00 0.00 H new ATOM 0 HD2 ARG A 518 8.005 7.754 10.570 1.00 0.00 H new ATOM 0 HD3 ARG A 518 6.933 6.763 9.601 1.00 0.00 H new ATOM 0 HE ARG A 518 8.335 5.093 11.503 1.00 0.00 H new ATOM 0 HH11 ARG A 518 5.851 7.551 11.179 1.00 0.00 H new ATOM 0 HH12 ARG A 518 4.939 6.999 12.588 1.00 0.00 H new ATOM 0 HH21 ARG A 518 7.153 4.394 13.312 1.00 0.00 H new ATOM 0 HH22 ARG A 518 5.669 5.228 13.784 1.00 0.00 H new ATOM 342 N GLU A 519 8.613 7.513 4.688 1.00 0.00 N ATOM 343 CA GLU A 519 8.558 8.483 3.600 1.00 0.00 C ATOM 344 C GLU A 519 7.137 8.597 3.058 1.00 0.00 C ATOM 345 O GLU A 519 6.662 7.716 2.344 1.00 0.00 O ATOM 346 CB GLU A 519 9.505 8.057 2.476 1.00 0.00 C ATOM 347 CG GLU A 519 9.666 9.205 1.479 1.00 0.00 C ATOM 348 CD GLU A 519 10.500 10.320 2.102 1.00 0.00 C ATOM 349 OE1 GLU A 519 11.715 10.236 2.027 1.00 0.00 O ATOM 350 OE2 GLU A 519 9.913 11.242 2.642 1.00 0.00 O ATOM 0 H GLU A 519 8.958 6.592 4.419 1.00 0.00 H new ATOM 0 HA GLU A 519 8.866 9.455 3.985 1.00 0.00 H new ATOM 0 HB2 GLU A 519 10.475 7.782 2.889 1.00 0.00 H new ATOM 0 HB3 GLU A 519 9.112 7.175 1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 519 10.147 8.844 0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 519 8.687 9.588 1.191 1.00 0.00 H new ATOM 357 N ARG A 520 6.462 9.689 3.407 1.00 0.00 N ATOM 358 CA ARG A 520 5.092 9.909 2.955 1.00 0.00 C ATOM 359 C ARG A 520 5.021 9.959 1.431 1.00 0.00 C ATOM 360 O ARG A 520 4.068 9.468 0.829 1.00 0.00 O ATOM 361 CB ARG A 520 4.556 11.218 3.535 1.00 0.00 C ATOM 362 CG ARG A 520 5.324 12.396 2.932 1.00 0.00 C ATOM 363 CD ARG A 520 5.046 13.656 3.751 1.00 0.00 C ATOM 364 NE ARG A 520 5.605 14.825 3.084 1.00 0.00 N ATOM 365 CZ ARG A 520 6.921 14.996 2.987 1.00 0.00 C ATOM 366 NH1 ARG A 520 7.733 14.114 3.500 1.00 0.00 N ATOM 367 NH2 ARG A 520 7.398 16.048 2.380 1.00 0.00 N ATOM 0 H ARG A 520 6.839 10.431 3.997 1.00 0.00 H new ATOM 0 HA ARG A 520 4.481 9.076 3.304 1.00 0.00 H new ATOM 0 HB2 ARG A 520 3.492 11.315 3.319 1.00 0.00 H new ATOM 0 HB3 ARG A 520 4.662 11.218 4.620 1.00 0.00 H new ATOM 0 HG2 ARG A 520 6.393 12.182 2.925 1.00 0.00 H new ATOM 0 HG3 ARG A 520 5.023 12.549 1.896 1.00 0.00 H new ATOM 0 HD2 ARG A 520 3.971 13.783 3.883 1.00 0.00 H new ATOM 0 HD3 ARG A 520 5.479 13.554 4.746 1.00 0.00 H new ATOM 0 HE ARG A 520 4.977 15.523 2.685 1.00 0.00 H new ATOM 0 HH11 ARG A 520 7.359 13.293 3.976 1.00 0.00 H new ATOM 0 HH12 ARG A 520 8.742 14.245 3.425 1.00 0.00 H new ATOM 0 HH21 ARG A 520 6.762 16.738 1.980 1.00 0.00 H new ATOM 0 HH22 ARG A 520 8.407 16.180 2.305 1.00 0.00 H new ATOM 381 N HIS A 521 6.036 10.557 0.810 1.00 0.00 N ATOM 382 CA HIS A 521 6.074 10.665 -0.645 1.00 0.00 C ATOM 383 C HIS A 521 5.646 9.353 -1.294 1.00 0.00 C ATOM 384 O HIS A 521 5.027 9.347 -2.358 1.00 0.00 O ATOM 385 CB HIS A 521 7.487 11.027 -1.106 1.00 0.00 C ATOM 386 CG HIS A 521 7.455 11.430 -2.555 1.00 0.00 C ATOM 387 ND1 HIS A 521 7.417 10.497 -3.580 1.00 0.00 N ATOM 388 CD2 HIS A 521 7.453 12.658 -3.167 1.00 0.00 C ATOM 389 CE1 HIS A 521 7.393 11.173 -4.743 1.00 0.00 C ATOM 390 NE2 HIS A 521 7.413 12.494 -4.548 1.00 0.00 N ATOM 0 H HIS A 521 6.836 10.971 1.288 1.00 0.00 H new ATOM 0 HA HIS A 521 5.380 11.449 -0.948 1.00 0.00 H new ATOM 0 HB2 HIS A 521 7.881 11.843 -0.499 1.00 0.00 H new ATOM 0 HB3 HIS A 521 8.155 10.176 -0.969 1.00 0.00 H new ATOM 0 HD2 HIS A 521 7.479 13.608 -2.654 1.00 0.00 H new ATOM 0 HE1 HIS A 521 7.361 10.705 -5.716 1.00 0.00 H new ATOM 0 HE2 HIS A 521 7.401 13.225 -5.259 1.00 0.00 H new ATOM 399 N ILE A 522 5.984 8.245 -0.646 1.00 0.00 N ATOM 400 CA ILE A 522 5.637 6.921 -1.158 1.00 0.00 C ATOM 401 C ILE A 522 4.257 6.501 -0.674 1.00 0.00 C ATOM 402 O ILE A 522 3.384 6.157 -1.471 1.00 0.00 O ATOM 403 CB ILE A 522 6.673 5.903 -0.684 1.00 0.00 C ATOM 404 CG1 ILE A 522 8.088 6.453 -0.917 1.00 0.00 C ATOM 405 CG2 ILE A 522 6.498 4.598 -1.457 1.00 0.00 C ATOM 406 CD1 ILE A 522 8.221 6.975 -2.350 1.00 0.00 C ATOM 0 H ILE A 522 6.498 8.235 0.235 1.00 0.00 H new ATOM 0 HA ILE A 522 5.627 6.961 -2.247 1.00 0.00 H new ATOM 0 HB ILE A 522 6.532 5.716 0.381 1.00 0.00 H new ATOM 0 HG12 ILE A 522 8.296 7.255 -0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 522 8.825 5.670 -0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 522 7.238 3.872 -1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 522 5.497 4.204 -1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 522 6.635 4.785 -2.522 1.00 0.00 H new ATOM 0 HD11 ILE A 522 9.228 7.363 -2.504 1.00 0.00 H new ATOM 0 HD12 ILE A 522 8.033 6.163 -3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 522 7.496 7.772 -2.516 1.00 0.00 H new ATOM 418 N LEU A 523 4.069 6.536 0.635 1.00 0.00 N ATOM 419 CA LEU A 523 2.788 6.158 1.220 1.00 0.00 C ATOM 420 C LEU A 523 1.653 6.866 0.496 1.00 0.00 C ATOM 421 O LEU A 523 0.522 6.401 0.501 1.00 0.00 O ATOM 422 CB LEU A 523 2.748 6.521 2.708 1.00 0.00 C ATOM 423 CG LEU A 523 3.977 5.953 3.423 1.00 0.00 C ATOM 424 CD1 LEU A 523 3.984 6.432 4.876 1.00 0.00 C ATOM 425 CD2 LEU A 523 3.940 4.417 3.390 1.00 0.00 C ATOM 0 H LEU A 523 4.779 6.819 1.310 1.00 0.00 H new ATOM 0 HA LEU A 523 2.669 5.080 1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 523 2.718 7.604 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 523 1.839 6.126 3.162 1.00 0.00 H new ATOM 0 HG LEU A 523 4.879 6.299 2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 523 4.858 6.029 5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 523 4.020 7.521 4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 523 3.079 6.087 5.377 1.00 0.00 H new ATOM 0 HD21 LEU A 523 4.818 4.021 3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 523 3.039 4.064 3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 523 3.937 4.075 2.355 1.00 0.00 H new ATOM 437 N GLN A 524 1.952 7.992 -0.130 1.00 0.00 N ATOM 438 CA GLN A 524 0.924 8.736 -0.847 1.00 0.00 C ATOM 439 C GLN A 524 0.651 8.098 -2.209 1.00 0.00 C ATOM 440 O GLN A 524 -0.501 7.969 -2.625 1.00 0.00 O ATOM 441 CB GLN A 524 1.363 10.192 -1.037 1.00 0.00 C ATOM 442 CG GLN A 524 1.220 10.959 0.284 1.00 0.00 C ATOM 443 CD GLN A 524 -0.235 11.357 0.507 1.00 0.00 C ATOM 444 OE1 GLN A 524 -0.526 12.192 1.365 1.00 0.00 O ATOM 445 NE2 GLN A 524 -1.173 10.810 -0.217 1.00 0.00 N ATOM 0 H GLN A 524 2.883 8.408 -0.158 1.00 0.00 H new ATOM 0 HA GLN A 524 0.008 8.711 -0.257 1.00 0.00 H new ATOM 0 HB2 GLN A 524 2.398 10.227 -1.377 1.00 0.00 H new ATOM 0 HB3 GLN A 524 0.757 10.665 -1.810 1.00 0.00 H new ATOM 0 HG2 GLN A 524 1.566 10.340 1.112 1.00 0.00 H new ATOM 0 HG3 GLN A 524 1.849 11.849 0.266 1.00 0.00 H new ATOM 0 HE21 GLN A 524 -0.931 10.119 -0.927 1.00 0.00 H new ATOM 0 HE22 GLN A 524 -2.148 11.074 -0.073 1.00 0.00 H new ATOM 454 N GLN A 525 1.719 7.709 -2.897 1.00 0.00 N ATOM 455 CA GLN A 525 1.586 7.092 -4.211 1.00 0.00 C ATOM 456 C GLN A 525 0.906 5.731 -4.103 1.00 0.00 C ATOM 457 O GLN A 525 -0.066 5.455 -4.804 1.00 0.00 O ATOM 458 CB GLN A 525 2.968 6.918 -4.847 1.00 0.00 C ATOM 459 CG GLN A 525 3.662 8.278 -4.960 1.00 0.00 C ATOM 460 CD GLN A 525 3.099 9.057 -6.145 1.00 0.00 C ATOM 461 OE1 GLN A 525 3.560 8.891 -7.275 1.00 0.00 O ATOM 462 NE2 GLN A 525 2.123 9.902 -5.953 1.00 0.00 N ATOM 0 H GLN A 525 2.680 7.809 -2.569 1.00 0.00 H new ATOM 0 HA GLN A 525 0.973 7.744 -4.834 1.00 0.00 H new ATOM 0 HB2 GLN A 525 3.573 6.240 -4.245 1.00 0.00 H new ATOM 0 HB3 GLN A 525 2.870 6.466 -5.834 1.00 0.00 H new ATOM 0 HG2 GLN A 525 3.519 8.846 -4.041 1.00 0.00 H new ATOM 0 HG3 GLN A 525 4.736 8.138 -5.084 1.00 0.00 H new ATOM 0 HE21 GLN A 525 1.743 10.038 -5.016 1.00 0.00 H new ATOM 0 HE22 GLN A 525 1.740 10.427 -6.740 1.00 0.00 H new ATOM 471 N ILE A 526 1.425 4.888 -3.219 1.00 0.00 N ATOM 472 CA ILE A 526 0.863 3.558 -3.024 1.00 0.00 C ATOM 473 C ILE A 526 -0.602 3.648 -2.614 1.00 0.00 C ATOM 474 O ILE A 526 -1.477 3.097 -3.285 1.00 0.00 O ATOM 475 CB ILE A 526 1.665 2.812 -1.955 1.00 0.00 C ATOM 476 CG1 ILE A 526 3.080 2.569 -2.484 1.00 0.00 C ATOM 477 CG2 ILE A 526 0.991 1.472 -1.637 1.00 0.00 C ATOM 478 CD1 ILE A 526 3.985 2.114 -1.343 1.00 0.00 C ATOM 0 H ILE A 526 2.230 5.100 -2.629 1.00 0.00 H new ATOM 0 HA ILE A 526 0.921 3.011 -3.965 1.00 0.00 H new ATOM 0 HB ILE A 526 1.707 3.407 -1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 526 3.060 1.813 -3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 526 3.473 3.482 -2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 526 1.567 0.947 -0.875 1.00 0.00 H new ATOM 0 HG22 ILE A 526 -0.019 1.651 -1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 526 0.945 0.864 -2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 526 4.992 1.942 -1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 526 4.015 2.885 -0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 526 3.596 1.190 -0.916 1.00 0.00 H new ATOM 490 N VAL A 527 -0.869 4.336 -1.507 1.00 0.00 N ATOM 491 CA VAL A 527 -2.238 4.476 -1.018 1.00 0.00 C ATOM 492 C VAL A 527 -3.193 4.751 -2.179 1.00 0.00 C ATOM 493 O VAL A 527 -4.132 3.991 -2.418 1.00 0.00 O ATOM 494 CB VAL A 527 -2.310 5.620 0.009 1.00 0.00 C ATOM 495 CG1 VAL A 527 -3.772 5.988 0.300 1.00 0.00 C ATOM 496 CG2 VAL A 527 -1.632 5.186 1.318 1.00 0.00 C ATOM 0 H VAL A 527 -0.163 4.801 -0.936 1.00 0.00 H new ATOM 0 HA VAL A 527 -2.537 3.545 -0.537 1.00 0.00 H new ATOM 0 HB VAL A 527 -1.797 6.488 -0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 527 -3.805 6.798 1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 527 -4.257 6.308 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 527 -4.293 5.119 0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 527 -1.685 5.999 2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 527 -2.141 4.309 1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 527 -0.588 4.941 1.123 1.00 0.00 H new ATOM 506 N ASN A 528 -2.940 5.843 -2.896 1.00 0.00 N ATOM 507 CA ASN A 528 -3.775 6.213 -4.029 1.00 0.00 C ATOM 508 C ASN A 528 -3.789 5.110 -5.088 1.00 0.00 C ATOM 509 O ASN A 528 -4.721 5.024 -5.882 1.00 0.00 O ATOM 510 CB ASN A 528 -3.250 7.507 -4.654 1.00 0.00 C ATOM 511 CG ASN A 528 -2.986 8.542 -3.563 1.00 0.00 C ATOM 512 OD1 ASN A 528 -2.388 9.584 -3.826 1.00 0.00 O ATOM 513 ND2 ASN A 528 -3.401 8.314 -2.348 1.00 0.00 N ATOM 0 H ASN A 528 -2.167 6.482 -2.712 1.00 0.00 H new ATOM 0 HA ASN A 528 -4.793 6.359 -3.667 1.00 0.00 H new ATOM 0 HB2 ASN A 528 -2.332 7.307 -5.208 1.00 0.00 H new ATOM 0 HB3 ASN A 528 -3.975 7.896 -5.369 1.00 0.00 H new ATOM 0 HD21 ASN A 528 -3.230 9.001 -1.613 1.00 0.00 H new ATOM 0 HD22 ASN A 528 -3.897 7.449 -2.132 1.00 0.00 H new ATOM 520 N LEU A 529 -2.750 4.277 -5.098 1.00 0.00 N ATOM 521 CA LEU A 529 -2.664 3.195 -6.075 1.00 0.00 C ATOM 522 C LEU A 529 -3.661 2.102 -5.721 1.00 0.00 C ATOM 523 O LEU A 529 -4.581 1.819 -6.485 1.00 0.00 O ATOM 524 CB LEU A 529 -1.232 2.631 -6.101 1.00 0.00 C ATOM 525 CG LEU A 529 -0.914 1.996 -7.469 1.00 0.00 C ATOM 526 CD1 LEU A 529 -1.998 0.977 -7.830 1.00 0.00 C ATOM 527 CD2 LEU A 529 -0.826 3.078 -8.569 1.00 0.00 C ATOM 0 H LEU A 529 -1.965 4.329 -4.449 1.00 0.00 H new ATOM 0 HA LEU A 529 -2.906 3.580 -7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 529 -0.519 3.429 -5.892 1.00 0.00 H new ATOM 0 HB3 LEU A 529 -1.116 1.886 -5.314 1.00 0.00 H new ATOM 0 HG LEU A 529 0.051 1.494 -7.401 1.00 0.00 H new ATOM 0 HD11 LEU A 529 -1.770 0.530 -8.798 1.00 0.00 H new ATOM 0 HD12 LEU A 529 -2.032 0.197 -7.069 1.00 0.00 H new ATOM 0 HD13 LEU A 529 -2.965 1.477 -7.880 1.00 0.00 H new ATOM 0 HD21 LEU A 529 -0.601 2.607 -9.526 1.00 0.00 H new ATOM 0 HD22 LEU A 529 -1.778 3.604 -8.639 1.00 0.00 H new ATOM 0 HD23 LEU A 529 -0.037 3.787 -8.319 1.00 0.00 H new ATOM 539 N ILE A 530 -3.463 1.472 -4.573 1.00 0.00 N ATOM 540 CA ILE A 530 -4.352 0.401 -4.166 1.00 0.00 C ATOM 541 C ILE A 530 -5.751 0.944 -3.903 1.00 0.00 C ATOM 542 O ILE A 530 -6.741 0.410 -4.401 1.00 0.00 O ATOM 543 CB ILE A 530 -3.779 -0.343 -2.950 1.00 0.00 C ATOM 544 CG1 ILE A 530 -3.537 0.605 -1.764 1.00 0.00 C ATOM 545 CG2 ILE A 530 -2.441 -0.955 -3.361 1.00 0.00 C ATOM 546 CD1 ILE A 530 -3.215 -0.209 -0.507 1.00 0.00 C ATOM 0 H ILE A 530 -2.708 1.680 -3.919 1.00 0.00 H new ATOM 0 HA ILE A 530 -4.432 -0.323 -4.977 1.00 0.00 H new ATOM 0 HB ILE A 530 -4.495 -1.102 -2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 530 -2.714 1.283 -1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 530 -4.420 1.221 -1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 530 -2.011 -1.491 -2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 530 -2.597 -1.648 -4.188 1.00 0.00 H new ATOM 0 HG23 ILE A 530 -1.760 -0.164 -3.674 1.00 0.00 H new ATOM 0 HD11 ILE A 530 -3.044 0.467 0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 530 -4.052 -0.868 -0.276 1.00 0.00 H new ATOM 0 HD13 ILE A 530 -2.319 -0.806 -0.680 1.00 0.00 H new ATOM 558 N GLU A 531 -5.827 2.008 -3.117 1.00 0.00 N ATOM 559 CA GLU A 531 -7.110 2.611 -2.796 1.00 0.00 C ATOM 560 C GLU A 531 -7.950 2.731 -4.067 1.00 0.00 C ATOM 561 O GLU A 531 -9.152 2.464 -4.066 1.00 0.00 O ATOM 562 CB GLU A 531 -6.906 3.990 -2.159 1.00 0.00 C ATOM 563 CG GLU A 531 -8.250 4.547 -1.654 1.00 0.00 C ATOM 564 CD GLU A 531 -8.015 5.543 -0.523 1.00 0.00 C ATOM 565 OE1 GLU A 531 -6.958 6.152 -0.506 1.00 0.00 O ATOM 566 OE2 GLU A 531 -8.895 5.680 0.312 1.00 0.00 O ATOM 0 H GLU A 531 -5.021 2.468 -2.693 1.00 0.00 H new ATOM 0 HA GLU A 531 -7.634 1.978 -2.080 1.00 0.00 H new ATOM 0 HB2 GLU A 531 -6.201 3.915 -1.331 1.00 0.00 H new ATOM 0 HB3 GLU A 531 -6.471 4.674 -2.887 1.00 0.00 H new ATOM 0 HG2 GLU A 531 -8.781 5.033 -2.472 1.00 0.00 H new ATOM 0 HG3 GLU A 531 -8.882 3.731 -1.304 1.00 0.00 H new ATOM 573 N GLU A 532 -7.288 3.129 -5.151 1.00 0.00 N ATOM 574 CA GLU A 532 -7.944 3.281 -6.444 1.00 0.00 C ATOM 575 C GLU A 532 -8.436 1.918 -6.948 1.00 0.00 C ATOM 576 O GLU A 532 -9.534 1.804 -7.494 1.00 0.00 O ATOM 577 CB GLU A 532 -6.947 3.921 -7.434 1.00 0.00 C ATOM 578 CG GLU A 532 -7.296 3.570 -8.893 1.00 0.00 C ATOM 579 CD GLU A 532 -6.746 4.633 -9.842 1.00 0.00 C ATOM 580 OE1 GLU A 532 -5.536 4.760 -9.921 1.00 0.00 O ATOM 581 OE2 GLU A 532 -7.546 5.302 -10.476 1.00 0.00 O ATOM 0 H GLU A 532 -6.293 3.353 -5.157 1.00 0.00 H new ATOM 0 HA GLU A 532 -8.815 3.930 -6.351 1.00 0.00 H new ATOM 0 HB2 GLU A 532 -6.952 5.004 -7.308 1.00 0.00 H new ATOM 0 HB3 GLU A 532 -5.937 3.578 -7.208 1.00 0.00 H new ATOM 0 HG2 GLU A 532 -6.881 2.595 -9.149 1.00 0.00 H new ATOM 0 HG3 GLU A 532 -8.377 3.496 -9.007 1.00 0.00 H new ATOM 588 N THR A 533 -7.605 0.895 -6.765 1.00 0.00 N ATOM 589 CA THR A 533 -7.953 -0.453 -7.212 1.00 0.00 C ATOM 590 C THR A 533 -9.094 -1.019 -6.374 1.00 0.00 C ATOM 591 O THR A 533 -10.086 -1.510 -6.910 1.00 0.00 O ATOM 592 CB THR A 533 -6.737 -1.379 -7.119 1.00 0.00 C ATOM 593 OG1 THR A 533 -6.302 -1.455 -5.770 1.00 0.00 O ATOM 594 CG2 THR A 533 -5.604 -0.843 -7.999 1.00 0.00 C ATOM 0 H THR A 533 -6.693 0.971 -6.314 1.00 0.00 H new ATOM 0 HA THR A 533 -8.275 -0.392 -8.252 1.00 0.00 H new ATOM 0 HB THR A 533 -7.015 -2.374 -7.467 1.00 0.00 H new ATOM 0 HG1 THR A 533 -6.466 -0.598 -5.325 1.00 0.00 H new ATOM 0 HG21 THR A 533 -4.743 -1.507 -7.928 1.00 0.00 H new ATOM 0 HG22 THR A 533 -5.940 -0.794 -9.035 1.00 0.00 H new ATOM 0 HG23 THR A 533 -5.322 0.154 -7.662 1.00 0.00 H new ATOM 602 N GLY A 534 -8.935 -0.955 -5.053 1.00 0.00 N ATOM 603 CA GLY A 534 -9.946 -1.471 -4.127 1.00 0.00 C ATOM 604 C GLY A 534 -9.395 -2.659 -3.342 1.00 0.00 C ATOM 605 O GLY A 534 -9.256 -3.753 -3.881 1.00 0.00 O ATOM 0 H GLY A 534 -8.116 -0.551 -4.598 1.00 0.00 H new ATOM 0 HA2 GLY A 534 -10.253 -0.684 -3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 534 -10.834 -1.774 -4.681 1.00 0.00 H new ATOM 609 N HIS A 535 -9.087 -2.426 -2.067 1.00 0.00 N ATOM 610 CA HIS A 535 -8.550 -3.473 -1.195 1.00 0.00 C ATOM 611 C HIS A 535 -7.960 -2.833 0.069 1.00 0.00 C ATOM 612 O HIS A 535 -6.820 -3.104 0.450 1.00 0.00 O ATOM 613 CB HIS A 535 -7.477 -4.305 -1.952 1.00 0.00 C ATOM 614 CG HIS A 535 -8.079 -5.581 -2.490 1.00 0.00 C ATOM 615 ND1 HIS A 535 -7.896 -5.989 -3.802 1.00 0.00 N ATOM 616 CD2 HIS A 535 -8.860 -6.545 -1.903 1.00 0.00 C ATOM 617 CE1 HIS A 535 -8.554 -7.152 -3.960 1.00 0.00 C ATOM 618 NE2 HIS A 535 -9.159 -7.535 -2.833 1.00 0.00 N ATOM 0 H HIS A 535 -9.200 -1.520 -1.613 1.00 0.00 H new ATOM 0 HA HIS A 535 -9.353 -4.150 -0.902 1.00 0.00 H new ATOM 0 HB2 HIS A 535 -7.064 -3.717 -2.772 1.00 0.00 H new ATOM 0 HB3 HIS A 535 -6.651 -4.540 -1.281 1.00 0.00 H new ATOM 0 HD2 HIS A 535 -9.192 -6.536 -0.875 1.00 0.00 H new ATOM 0 HE1 HIS A 535 -8.589 -7.708 -4.885 1.00 0.00 H new ATOM 0 HE2 HIS A 535 -9.720 -8.374 -2.686 1.00 0.00 H new ATOM 627 N PHE A 536 -8.743 -1.967 0.714 1.00 0.00 N ATOM 628 CA PHE A 536 -8.287 -1.283 1.925 1.00 0.00 C ATOM 629 C PHE A 536 -9.402 -1.220 2.963 1.00 0.00 C ATOM 630 O PHE A 536 -10.585 -1.187 2.626 1.00 0.00 O ATOM 631 CB PHE A 536 -7.846 0.138 1.578 1.00 0.00 C ATOM 632 CG PHE A 536 -8.984 0.862 0.900 1.00 0.00 C ATOM 633 CD1 PHE A 536 -9.192 0.708 -0.473 1.00 0.00 C ATOM 634 CD2 PHE A 536 -9.832 1.689 1.648 1.00 0.00 C ATOM 635 CE1 PHE A 536 -10.247 1.382 -1.102 1.00 0.00 C ATOM 636 CE2 PHE A 536 -10.887 2.361 1.020 1.00 0.00 C ATOM 637 CZ PHE A 536 -11.094 2.208 -0.355 1.00 0.00 C ATOM 0 H PHE A 536 -9.689 -1.724 0.421 1.00 0.00 H new ATOM 0 HA PHE A 536 -7.449 -1.843 2.340 1.00 0.00 H new ATOM 0 HB2 PHE A 536 -7.549 0.670 2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 536 -6.975 0.111 0.923 1.00 0.00 H new ATOM 0 HD1 PHE A 536 -8.539 0.069 -1.050 1.00 0.00 H new ATOM 0 HD2 PHE A 536 -9.672 1.808 2.709 1.00 0.00 H new ATOM 0 HE1 PHE A 536 -10.406 1.264 -2.164 1.00 0.00 H new ATOM 0 HE2 PHE A 536 -11.541 2.998 1.597 1.00 0.00 H new ATOM 0 HZ PHE A 536 -11.907 2.727 -0.840 1.00 0.00 H new ATOM 647 N HIS A 537 -9.002 -1.187 4.234 1.00 0.00 N ATOM 648 CA HIS A 537 -9.948 -1.107 5.349 1.00 0.00 C ATOM 649 C HIS A 537 -9.553 0.044 6.272 1.00 0.00 C ATOM 650 O HIS A 537 -8.735 -0.125 7.176 1.00 0.00 O ATOM 651 CB HIS A 537 -9.943 -2.422 6.132 1.00 0.00 C ATOM 652 CG HIS A 537 -9.925 -3.576 5.168 1.00 0.00 C ATOM 653 ND1 HIS A 537 -8.835 -4.427 5.054 1.00 0.00 N ATOM 654 CD2 HIS A 537 -10.854 -4.036 4.269 1.00 0.00 C ATOM 655 CE1 HIS A 537 -9.135 -5.345 4.116 1.00 0.00 C ATOM 656 NE2 HIS A 537 -10.353 -5.152 3.605 1.00 0.00 N ATOM 0 H HIS A 537 -8.023 -1.215 4.519 1.00 0.00 H new ATOM 0 HA HIS A 537 -10.950 -0.930 4.958 1.00 0.00 H new ATOM 0 HB2 HIS A 537 -9.072 -2.466 6.785 1.00 0.00 H new ATOM 0 HB3 HIS A 537 -10.824 -2.481 6.771 1.00 0.00 H new ATOM 0 HD2 HIS A 537 -11.827 -3.598 4.102 1.00 0.00 H new ATOM 0 HE1 HIS A 537 -8.471 -6.141 3.814 1.00 0.00 H new ATOM 0 HE2 HIS A 537 -10.817 -5.704 2.883 1.00 0.00 H new ATOM 665 N ILE A 538 -10.152 1.213 6.044 1.00 0.00 N ATOM 666 CA ILE A 538 -9.875 2.388 6.869 1.00 0.00 C ATOM 667 C ILE A 538 -10.858 2.440 8.036 1.00 0.00 C ATOM 668 O ILE A 538 -12.057 2.228 7.859 1.00 0.00 O ATOM 669 CB ILE A 538 -9.999 3.663 6.021 1.00 0.00 C ATOM 670 CG1 ILE A 538 -8.842 3.724 5.012 1.00 0.00 C ATOM 671 CG2 ILE A 538 -9.945 4.900 6.926 1.00 0.00 C ATOM 672 CD1 ILE A 538 -9.188 4.712 3.890 1.00 0.00 C ATOM 0 H ILE A 538 -10.829 1.371 5.298 1.00 0.00 H new ATOM 0 HA ILE A 538 -8.860 2.321 7.260 1.00 0.00 H new ATOM 0 HB ILE A 538 -10.951 3.645 5.490 1.00 0.00 H new ATOM 0 HG12 ILE A 538 -7.925 4.034 5.513 1.00 0.00 H new ATOM 0 HG13 ILE A 538 -8.658 2.734 4.594 1.00 0.00 H new ATOM 0 HG21 ILE A 538 -10.033 5.800 6.318 1.00 0.00 H new ATOM 0 HG22 ILE A 538 -10.766 4.863 7.642 1.00 0.00 H new ATOM 0 HG23 ILE A 538 -8.997 4.917 7.463 1.00 0.00 H new ATOM 0 HD11 ILE A 538 -8.366 4.754 3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 538 -10.094 4.383 3.382 1.00 0.00 H new ATOM 0 HD13 ILE A 538 -9.350 5.703 4.315 1.00 0.00 H new ATOM 684 N THR A 539 -10.343 2.722 9.232 1.00 0.00 N ATOM 685 CA THR A 539 -11.187 2.796 10.425 1.00 0.00 C ATOM 686 C THR A 539 -10.637 3.824 11.408 1.00 0.00 C ATOM 687 O THR A 539 -9.439 4.108 11.415 1.00 0.00 O ATOM 688 CB THR A 539 -11.250 1.424 11.101 1.00 0.00 C ATOM 689 OG1 THR A 539 -11.807 0.478 10.200 1.00 0.00 O ATOM 690 CG2 THR A 539 -12.119 1.512 12.356 1.00 0.00 C ATOM 0 H THR A 539 -9.353 2.902 9.401 1.00 0.00 H new ATOM 0 HA THR A 539 -12.189 3.101 10.122 1.00 0.00 H new ATOM 0 HB THR A 539 -10.244 1.109 11.380 1.00 0.00 H new ATOM 0 HG1 THR A 539 -11.846 -0.401 10.631 1.00 0.00 H new ATOM 0 HG21 THR A 539 -12.164 0.535 12.837 1.00 0.00 H new ATOM 0 HG22 THR A 539 -11.688 2.237 13.047 1.00 0.00 H new ATOM 0 HG23 THR A 539 -13.125 1.827 12.080 1.00 0.00 H new ATOM 698 N ASN A 540 -11.520 4.381 12.231 1.00 0.00 N ATOM 699 CA ASN A 540 -11.111 5.382 13.212 1.00 0.00 C ATOM 700 C ASN A 540 -10.188 6.408 12.567 1.00 0.00 C ATOM 701 O ASN A 540 -10.647 7.386 11.976 1.00 0.00 O ATOM 702 CB ASN A 540 -10.394 4.706 14.382 1.00 0.00 C ATOM 703 CG ASN A 540 -9.877 5.759 15.355 1.00 0.00 C ATOM 704 OD1 ASN A 540 -10.666 6.441 16.010 1.00 0.00 O ATOM 705 ND2 ASN A 540 -8.591 5.934 15.491 1.00 0.00 N ATOM 0 H ASN A 540 -12.516 4.159 12.239 1.00 0.00 H new ATOM 0 HA ASN A 540 -12.001 5.891 13.582 1.00 0.00 H new ATOM 0 HB2 ASN A 540 -11.077 4.029 14.895 1.00 0.00 H new ATOM 0 HB3 ASN A 540 -9.565 4.103 14.012 1.00 0.00 H new ATOM 0 HD21 ASN A 540 -8.238 6.637 16.141 1.00 0.00 H new ATOM 0 HD22 ASN A 540 -7.939 5.368 14.948 1.00 0.00 H new ATOM 712 N THR A 541 -8.881 6.176 12.675 1.00 0.00 N ATOM 713 CA THR A 541 -7.898 7.082 12.087 1.00 0.00 C ATOM 714 C THR A 541 -6.626 6.323 11.720 1.00 0.00 C ATOM 715 O THR A 541 -5.619 6.400 12.424 1.00 0.00 O ATOM 716 CB THR A 541 -7.562 8.198 13.075 1.00 0.00 C ATOM 717 OG1 THR A 541 -8.763 8.699 13.649 1.00 0.00 O ATOM 718 CG2 THR A 541 -6.831 9.329 12.349 1.00 0.00 C ATOM 0 H THR A 541 -8.481 5.374 13.161 1.00 0.00 H new ATOM 0 HA THR A 541 -8.324 7.515 11.182 1.00 0.00 H new ATOM 0 HB THR A 541 -6.919 7.802 13.861 1.00 0.00 H new ATOM 0 HG1 THR A 541 -8.549 9.414 14.284 1.00 0.00 H new ATOM 0 HG21 THR A 541 -6.594 10.122 13.058 1.00 0.00 H new ATOM 0 HG22 THR A 541 -5.909 8.945 11.912 1.00 0.00 H new ATOM 0 HG23 THR A 541 -7.469 9.727 11.559 1.00 0.00 H new ATOM 726 N THR A 542 -6.681 5.597 10.609 1.00 0.00 N ATOM 727 CA THR A 542 -5.530 4.829 10.146 1.00 0.00 C ATOM 728 C THR A 542 -5.825 4.235 8.767 1.00 0.00 C ATOM 729 O THR A 542 -6.982 4.145 8.357 1.00 0.00 O ATOM 730 CB THR A 542 -5.198 3.707 11.168 1.00 0.00 C ATOM 731 OG1 THR A 542 -6.054 3.837 12.293 1.00 0.00 O ATOM 732 CG2 THR A 542 -3.739 3.811 11.635 1.00 0.00 C ATOM 0 H THR A 542 -7.506 5.524 10.014 1.00 0.00 H new ATOM 0 HA THR A 542 -4.665 5.487 10.063 1.00 0.00 H new ATOM 0 HB THR A 542 -5.344 2.740 10.687 1.00 0.00 H new ATOM 0 HG1 THR A 542 -5.851 3.131 12.942 1.00 0.00 H new ATOM 0 HG21 THR A 542 -3.528 3.016 12.350 1.00 0.00 H new ATOM 0 HG22 THR A 542 -3.074 3.713 10.777 1.00 0.00 H new ATOM 0 HG23 THR A 542 -3.577 4.779 12.110 1.00 0.00 H new ATOM 740 N PHE A 543 -4.773 3.825 8.059 1.00 0.00 N ATOM 741 CA PHE A 543 -4.924 3.231 6.727 1.00 0.00 C ATOM 742 C PHE A 543 -4.313 1.832 6.707 1.00 0.00 C ATOM 743 O PHE A 543 -3.102 1.675 6.608 1.00 0.00 O ATOM 744 CB PHE A 543 -4.223 4.118 5.692 1.00 0.00 C ATOM 745 CG PHE A 543 -4.269 3.451 4.336 1.00 0.00 C ATOM 746 CD1 PHE A 543 -5.411 3.577 3.537 1.00 0.00 C ATOM 747 CD2 PHE A 543 -3.174 2.710 3.878 1.00 0.00 C ATOM 748 CE1 PHE A 543 -5.458 2.962 2.281 1.00 0.00 C ATOM 749 CE2 PHE A 543 -3.219 2.095 2.623 1.00 0.00 C ATOM 750 CZ PHE A 543 -4.363 2.222 1.822 1.00 0.00 C ATOM 0 H PHE A 543 -3.808 3.892 8.383 1.00 0.00 H new ATOM 0 HA PHE A 543 -5.984 3.157 6.484 1.00 0.00 H new ATOM 0 HB2 PHE A 543 -4.709 5.093 5.645 1.00 0.00 H new ATOM 0 HB3 PHE A 543 -3.188 4.291 5.988 1.00 0.00 H new ATOM 0 HD1 PHE A 543 -6.256 4.149 3.890 1.00 0.00 H new ATOM 0 HD2 PHE A 543 -2.293 2.613 4.495 1.00 0.00 H new ATOM 0 HE1 PHE A 543 -6.340 3.059 1.665 1.00 0.00 H new ATOM 0 HE2 PHE A 543 -2.373 1.523 2.271 1.00 0.00 H new ATOM 0 HZ PHE A 543 -4.399 1.749 0.852 1.00 0.00 H new ATOM 760 N ASP A 544 -5.161 0.811 6.810 1.00 0.00 N ATOM 761 CA ASP A 544 -4.689 -0.574 6.810 1.00 0.00 C ATOM 762 C ASP A 544 -4.908 -1.221 5.447 1.00 0.00 C ATOM 763 O ASP A 544 -5.948 -1.028 4.817 1.00 0.00 O ATOM 764 CB ASP A 544 -5.437 -1.376 7.875 1.00 0.00 C ATOM 765 CG ASP A 544 -5.360 -0.658 9.219 1.00 0.00 C ATOM 766 OD1 ASP A 544 -5.328 0.561 9.217 1.00 0.00 O ATOM 767 OD2 ASP A 544 -5.332 -1.340 10.231 1.00 0.00 O ATOM 0 H ASP A 544 -6.172 0.914 6.894 1.00 0.00 H new ATOM 0 HA ASP A 544 -3.622 -0.571 7.030 1.00 0.00 H new ATOM 0 HB2 ASP A 544 -6.479 -1.504 7.581 1.00 0.00 H new ATOM 0 HB3 ASP A 544 -5.005 -2.373 7.961 1.00 0.00 H new ATOM 772 N PHE A 545 -3.921 -1.994 5.001 1.00 0.00 N ATOM 773 CA PHE A 545 -4.012 -2.674 3.710 1.00 0.00 C ATOM 774 C PHE A 545 -3.145 -3.927 3.709 1.00 0.00 C ATOM 775 O PHE A 545 -2.007 -3.899 4.180 1.00 0.00 O ATOM 776 CB PHE A 545 -3.569 -1.733 2.587 1.00 0.00 C ATOM 777 CG PHE A 545 -2.095 -1.432 2.723 1.00 0.00 C ATOM 778 CD1 PHE A 545 -1.652 -0.531 3.700 1.00 0.00 C ATOM 779 CD2 PHE A 545 -1.170 -2.047 1.868 1.00 0.00 C ATOM 780 CE1 PHE A 545 -0.288 -0.247 3.823 1.00 0.00 C ATOM 781 CE2 PHE A 545 0.195 -1.762 1.993 1.00 0.00 C ATOM 782 CZ PHE A 545 0.636 -0.862 2.970 1.00 0.00 C ATOM 0 H PHE A 545 -3.054 -2.165 5.510 1.00 0.00 H new ATOM 0 HA PHE A 545 -5.049 -2.964 3.542 1.00 0.00 H new ATOM 0 HB2 PHE A 545 -3.768 -2.190 1.618 1.00 0.00 H new ATOM 0 HB3 PHE A 545 -4.144 -0.808 2.628 1.00 0.00 H new ATOM 0 HD1 PHE A 545 -2.364 -0.056 4.358 1.00 0.00 H new ATOM 0 HD2 PHE A 545 -1.510 -2.740 1.113 1.00 0.00 H new ATOM 0 HE1 PHE A 545 0.053 0.447 4.577 1.00 0.00 H new ATOM 0 HE2 PHE A 545 0.908 -2.237 1.335 1.00 0.00 H new ATOM 0 HZ PHE A 545 1.689 -0.642 3.066 1.00 0.00 H new ATOM 792 N ASP A 546 -3.671 -5.027 3.175 1.00 0.00 N ATOM 793 CA ASP A 546 -2.913 -6.277 3.118 1.00 0.00 C ATOM 794 C ASP A 546 -2.133 -6.362 1.810 1.00 0.00 C ATOM 795 O ASP A 546 -2.671 -6.088 0.736 1.00 0.00 O ATOM 796 CB ASP A 546 -3.867 -7.469 3.222 1.00 0.00 C ATOM 797 CG ASP A 546 -4.449 -7.550 4.629 1.00 0.00 C ATOM 798 OD1 ASP A 546 -4.335 -6.574 5.353 1.00 0.00 O ATOM 799 OD2 ASP A 546 -5.000 -8.587 4.962 1.00 0.00 O ATOM 0 H ASP A 546 -4.609 -5.080 2.779 1.00 0.00 H new ATOM 0 HA ASP A 546 -2.212 -6.299 3.953 1.00 0.00 H new ATOM 0 HB2 ASP A 546 -4.670 -7.367 2.493 1.00 0.00 H new ATOM 0 HB3 ASP A 546 -3.337 -8.391 2.985 1.00 0.00 H new ATOM 804 N LEU A 547 -0.863 -6.738 1.906 1.00 0.00 N ATOM 805 CA LEU A 547 -0.018 -6.847 0.723 1.00 0.00 C ATOM 806 C LEU A 547 -0.468 -8.025 -0.134 1.00 0.00 C ATOM 807 O LEU A 547 -0.150 -8.105 -1.320 1.00 0.00 O ATOM 808 CB LEU A 547 1.448 -7.051 1.129 1.00 0.00 C ATOM 809 CG LEU A 547 2.072 -5.759 1.704 1.00 0.00 C ATOM 810 CD1 LEU A 547 2.449 -4.793 0.573 1.00 0.00 C ATOM 811 CD2 LEU A 547 1.096 -5.059 2.656 1.00 0.00 C ATOM 0 H LEU A 547 -0.399 -6.971 2.784 1.00 0.00 H new ATOM 0 HA LEU A 547 -0.107 -5.923 0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.512 -7.847 1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.023 -7.377 0.262 1.00 0.00 H new ATOM 0 HG LEU A 547 2.969 -6.042 2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 547 2.887 -3.889 0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 547 3.172 -5.271 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 547 1.556 -4.532 0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 547 1.557 -4.153 3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 547 0.185 -4.799 2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 547 0.850 -5.727 3.481 1.00 0.00 H new ATOM 823 N CYS A 548 -1.207 -8.944 0.481 1.00 0.00 N ATOM 824 CA CYS A 548 -1.698 -10.122 -0.226 1.00 0.00 C ATOM 825 C CYS A 548 -2.958 -9.776 -1.014 1.00 0.00 C ATOM 826 O CYS A 548 -3.441 -10.574 -1.816 1.00 0.00 O ATOM 827 CB CYS A 548 -1.996 -11.244 0.777 1.00 0.00 C ATOM 828 SG CYS A 548 -0.454 -12.086 1.211 1.00 0.00 S ATOM 0 H CYS A 548 -1.478 -8.896 1.463 1.00 0.00 H new ATOM 0 HA CYS A 548 -0.932 -10.461 -0.923 1.00 0.00 H new ATOM 0 HB2 CYS A 548 -2.463 -10.833 1.672 1.00 0.00 H new ATOM 0 HB3 CYS A 548 -2.702 -11.954 0.346 1.00 0.00 H new ATOM 0 HG CYS A 548 -0.703 -13.036 2.063 1.00 0.00 H new ATOM 834 N SER A 549 -3.484 -8.578 -0.776 1.00 0.00 N ATOM 835 CA SER A 549 -4.691 -8.124 -1.464 1.00 0.00 C ATOM 836 C SER A 549 -4.335 -7.376 -2.745 1.00 0.00 C ATOM 837 O SER A 549 -5.191 -6.752 -3.372 1.00 0.00 O ATOM 838 CB SER A 549 -5.493 -7.202 -0.546 1.00 0.00 C ATOM 839 OG SER A 549 -4.775 -5.991 -0.352 1.00 0.00 O ATOM 0 H SER A 549 -3.096 -7.905 -0.115 1.00 0.00 H new ATOM 0 HA SER A 549 -5.288 -8.999 -1.723 1.00 0.00 H new ATOM 0 HB2 SER A 549 -6.469 -6.993 -0.984 1.00 0.00 H new ATOM 0 HB3 SER A 549 -5.671 -7.690 0.412 1.00 0.00 H new ATOM 0 HG SER A 549 -4.082 -6.127 0.328 1.00 0.00 H new ATOM 845 N LEU A 550 -3.061 -7.454 -3.130 1.00 0.00 N ATOM 846 CA LEU A 550 -2.587 -6.794 -4.345 1.00 0.00 C ATOM 847 C LEU A 550 -2.798 -7.700 -5.555 1.00 0.00 C ATOM 848 O LEU A 550 -3.368 -8.784 -5.440 1.00 0.00 O ATOM 849 CB LEU A 550 -1.093 -6.468 -4.223 1.00 0.00 C ATOM 850 CG LEU A 550 -0.828 -5.647 -2.955 1.00 0.00 C ATOM 851 CD1 LEU A 550 0.686 -5.444 -2.789 1.00 0.00 C ATOM 852 CD2 LEU A 550 -1.530 -4.283 -3.058 1.00 0.00 C ATOM 0 H LEU A 550 -2.341 -7.966 -2.620 1.00 0.00 H new ATOM 0 HA LEU A 550 -3.153 -5.872 -4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 550 -0.514 -7.391 -4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 550 -0.763 -5.912 -5.100 1.00 0.00 H new ATOM 0 HG LEU A 550 -1.220 -6.180 -2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 550 0.878 -4.861 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 550 1.176 -6.414 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 550 1.079 -4.913 -3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 550 -1.337 -3.705 -2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 550 -1.147 -3.741 -3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 550 -2.604 -4.434 -3.170 1.00 0.00 H new ATOM 864 N ASP A 551 -2.317 -7.251 -6.713 1.00 0.00 N ATOM 865 CA ASP A 551 -2.434 -8.025 -7.952 1.00 0.00 C ATOM 866 C ASP A 551 -1.081 -8.088 -8.646 1.00 0.00 C ATOM 867 O ASP A 551 -0.382 -7.083 -8.749 1.00 0.00 O ATOM 868 CB ASP A 551 -3.463 -7.380 -8.883 1.00 0.00 C ATOM 869 CG ASP A 551 -4.820 -7.311 -8.192 1.00 0.00 C ATOM 870 OD1 ASP A 551 -4.965 -6.497 -7.296 1.00 0.00 O ATOM 871 OD2 ASP A 551 -5.696 -8.071 -8.571 1.00 0.00 O ATOM 0 H ASP A 551 -1.842 -6.355 -6.821 1.00 0.00 H new ATOM 0 HA ASP A 551 -2.764 -9.035 -7.708 1.00 0.00 H new ATOM 0 HB2 ASP A 551 -3.136 -6.378 -9.161 1.00 0.00 H new ATOM 0 HB3 ASP A 551 -3.544 -7.957 -9.804 1.00 0.00 H new ATOM 876 N LYS A 552 -0.712 -9.277 -9.103 1.00 0.00 N ATOM 877 CA LYS A 552 0.574 -9.472 -9.768 1.00 0.00 C ATOM 878 C LYS A 552 0.905 -8.293 -10.687 1.00 0.00 C ATOM 879 O LYS A 552 2.016 -7.766 -10.652 1.00 0.00 O ATOM 880 CB LYS A 552 0.554 -10.779 -10.580 1.00 0.00 C ATOM 881 CG LYS A 552 0.787 -11.979 -9.653 1.00 0.00 C ATOM 882 CD LYS A 552 -0.365 -12.092 -8.652 1.00 0.00 C ATOM 883 CE LYS A 552 -0.324 -13.465 -7.978 1.00 0.00 C ATOM 884 NZ LYS A 552 -0.775 -14.506 -8.945 1.00 0.00 N ATOM 0 H LYS A 552 -1.281 -10.120 -9.027 1.00 0.00 H new ATOM 0 HA LYS A 552 1.346 -9.534 -9.001 1.00 0.00 H new ATOM 0 HB2 LYS A 552 -0.403 -10.884 -11.091 1.00 0.00 H new ATOM 0 HB3 LYS A 552 1.325 -10.750 -11.350 1.00 0.00 H new ATOM 0 HG2 LYS A 552 0.862 -12.894 -10.240 1.00 0.00 H new ATOM 0 HG3 LYS A 552 1.732 -11.862 -9.122 1.00 0.00 H new ATOM 0 HD2 LYS A 552 -0.288 -11.305 -7.902 1.00 0.00 H new ATOM 0 HD3 LYS A 552 -1.318 -11.954 -9.162 1.00 0.00 H new ATOM 0 HE2 LYS A 552 0.688 -13.684 -7.636 1.00 0.00 H new ATOM 0 HE3 LYS A 552 -0.966 -13.469 -7.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 -1.104 -15.344 -8.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 -1.554 -14.129 -9.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 0.018 -14.772 -9.564 1.00 0.00 H new ATOM 898 N THR A 553 -0.059 -7.887 -11.505 1.00 0.00 N ATOM 899 CA THR A 553 0.157 -6.774 -12.420 1.00 0.00 C ATOM 900 C THR A 553 0.290 -5.463 -11.650 1.00 0.00 C ATOM 901 O THR A 553 0.973 -4.540 -12.093 1.00 0.00 O ATOM 902 CB THR A 553 -1.003 -6.676 -13.404 1.00 0.00 C ATOM 903 OG1 THR A 553 -1.321 -7.972 -13.892 1.00 0.00 O ATOM 904 CG2 THR A 553 -0.618 -5.766 -14.573 1.00 0.00 C ATOM 0 H THR A 553 -0.987 -8.306 -11.553 1.00 0.00 H new ATOM 0 HA THR A 553 1.082 -6.953 -12.968 1.00 0.00 H new ATOM 0 HB THR A 553 -1.871 -6.256 -12.896 1.00 0.00 H new ATOM 0 HG1 THR A 553 -2.068 -7.910 -14.523 1.00 0.00 H new ATOM 0 HG21 THR A 553 -1.451 -5.700 -15.273 1.00 0.00 H new ATOM 0 HG22 THR A 553 -0.381 -4.771 -14.197 1.00 0.00 H new ATOM 0 HG23 THR A 553 0.253 -6.178 -15.083 1.00 0.00 H new ATOM 912 N THR A 554 -0.369 -5.390 -10.498 1.00 0.00 N ATOM 913 CA THR A 554 -0.321 -4.186 -9.672 1.00 0.00 C ATOM 914 C THR A 554 0.891 -4.215 -8.745 1.00 0.00 C ATOM 915 O THR A 554 1.361 -3.174 -8.291 1.00 0.00 O ATOM 916 CB THR A 554 -1.596 -4.081 -8.833 1.00 0.00 C ATOM 917 OG1 THR A 554 -2.728 -4.130 -9.687 1.00 0.00 O ATOM 918 CG2 THR A 554 -1.589 -2.760 -8.066 1.00 0.00 C ATOM 0 H THR A 554 -0.939 -6.144 -10.116 1.00 0.00 H new ATOM 0 HA THR A 554 -0.241 -3.322 -10.331 1.00 0.00 H new ATOM 0 HB THR A 554 -1.640 -4.910 -8.127 1.00 0.00 H new ATOM 0 HG1 THR A 554 -3.546 -4.065 -9.151 1.00 0.00 H new ATOM 0 HG21 THR A 554 -2.496 -2.682 -7.467 1.00 0.00 H new ATOM 0 HG22 THR A 554 -0.718 -2.724 -7.412 1.00 0.00 H new ATOM 0 HG23 THR A 554 -1.548 -1.930 -8.771 1.00 0.00 H new ATOM 926 N VAL A 555 1.389 -5.414 -8.468 1.00 0.00 N ATOM 927 CA VAL A 555 2.543 -5.566 -7.593 1.00 0.00 C ATOM 928 C VAL A 555 3.803 -5.055 -8.282 1.00 0.00 C ATOM 929 O VAL A 555 4.731 -4.576 -7.631 1.00 0.00 O ATOM 930 CB VAL A 555 2.706 -7.045 -7.211 1.00 0.00 C ATOM 931 CG1 VAL A 555 4.054 -7.262 -6.514 1.00 0.00 C ATOM 932 CG2 VAL A 555 1.573 -7.451 -6.262 1.00 0.00 C ATOM 0 H VAL A 555 1.014 -6.289 -8.834 1.00 0.00 H new ATOM 0 HA VAL A 555 2.385 -4.978 -6.689 1.00 0.00 H new ATOM 0 HB VAL A 555 2.669 -7.654 -8.114 1.00 0.00 H new ATOM 0 HG11 VAL A 555 4.160 -8.313 -6.247 1.00 0.00 H new ATOM 0 HG12 VAL A 555 4.862 -6.975 -7.187 1.00 0.00 H new ATOM 0 HG13 VAL A 555 4.099 -6.652 -5.612 1.00 0.00 H new ATOM 0 HG21 VAL A 555 1.686 -8.500 -5.989 1.00 0.00 H new ATOM 0 HG22 VAL A 555 1.613 -6.836 -5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 555 0.613 -7.306 -6.758 1.00 0.00 H new ATOM 942 N ARG A 556 3.825 -5.152 -9.606 1.00 0.00 N ATOM 943 CA ARG A 556 4.969 -4.690 -10.379 1.00 0.00 C ATOM 944 C ARG A 556 4.987 -3.166 -10.443 1.00 0.00 C ATOM 945 O ARG A 556 6.050 -2.551 -10.525 1.00 0.00 O ATOM 946 CB ARG A 556 4.908 -5.273 -11.799 1.00 0.00 C ATOM 947 CG ARG A 556 5.344 -6.753 -11.789 1.00 0.00 C ATOM 948 CD ARG A 556 6.866 -6.858 -11.950 1.00 0.00 C ATOM 949 NE ARG A 556 7.294 -8.244 -11.791 1.00 0.00 N ATOM 950 CZ ARG A 556 7.256 -8.841 -10.604 1.00 0.00 C ATOM 951 NH1 ARG A 556 6.833 -8.187 -9.557 1.00 0.00 N ATOM 952 NH2 ARG A 556 7.642 -10.083 -10.485 1.00 0.00 N ATOM 0 H ARG A 556 3.067 -5.545 -10.164 1.00 0.00 H new ATOM 0 HA ARG A 556 5.882 -5.029 -9.890 1.00 0.00 H new ATOM 0 HB2 ARG A 556 3.895 -5.188 -12.191 1.00 0.00 H new ATOM 0 HB3 ARG A 556 5.556 -4.700 -12.463 1.00 0.00 H new ATOM 0 HG2 ARG A 556 5.036 -7.224 -10.855 1.00 0.00 H new ATOM 0 HG3 ARG A 556 4.848 -7.291 -12.596 1.00 0.00 H new ATOM 0 HD2 ARG A 556 7.162 -6.489 -12.932 1.00 0.00 H new ATOM 0 HD3 ARG A 556 7.362 -6.229 -11.210 1.00 0.00 H new ATOM 0 HE ARG A 556 7.628 -8.763 -12.603 1.00 0.00 H new ATOM 0 HH11 ARG A 556 6.531 -7.217 -9.649 1.00 0.00 H new ATOM 0 HH12 ARG A 556 6.804 -8.646 -8.646 1.00 0.00 H new ATOM 0 HH21 ARG A 556 7.973 -10.595 -11.303 1.00 0.00 H new ATOM 0 HH22 ARG A 556 7.613 -10.541 -9.574 1.00 0.00 H new ATOM 966 N LYS A 557 3.804 -2.564 -10.390 1.00 0.00 N ATOM 967 CA LYS A 557 3.694 -1.111 -10.426 1.00 0.00 C ATOM 968 C LYS A 557 3.937 -0.542 -9.033 1.00 0.00 C ATOM 969 O LYS A 557 4.320 0.618 -8.881 1.00 0.00 O ATOM 970 CB LYS A 557 2.296 -0.702 -10.911 1.00 0.00 C ATOM 971 CG LYS A 557 2.172 -0.933 -12.431 1.00 0.00 C ATOM 972 CD LYS A 557 2.687 0.295 -13.209 1.00 0.00 C ATOM 973 CE LYS A 557 1.567 1.332 -13.361 1.00 0.00 C ATOM 974 NZ LYS A 557 0.634 0.901 -14.438 1.00 0.00 N ATOM 0 H LYS A 557 2.913 -3.056 -10.322 1.00 0.00 H new ATOM 0 HA LYS A 557 4.441 -0.716 -11.114 1.00 0.00 H new ATOM 0 HB2 LYS A 557 1.537 -1.280 -10.385 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.115 0.348 -10.679 1.00 0.00 H new ATOM 0 HG2 LYS A 557 2.741 -1.817 -12.718 1.00 0.00 H new ATOM 0 HG3 LYS A 557 1.131 -1.125 -12.692 1.00 0.00 H new ATOM 0 HD2 LYS A 557 3.534 0.738 -12.685 1.00 0.00 H new ATOM 0 HD3 LYS A 557 3.045 -0.012 -14.192 1.00 0.00 H new ATOM 0 HE2 LYS A 557 1.028 1.441 -12.420 1.00 0.00 H new ATOM 0 HE3 LYS A 557 1.990 2.307 -13.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 0.032 1.702 -14.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 1.180 0.575 -15.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 0.036 0.124 -14.089 1.00 0.00 H new ATOM 988 N LEU A 558 3.710 -1.372 -8.018 1.00 0.00 N ATOM 989 CA LEU A 558 3.904 -0.952 -6.636 1.00 0.00 C ATOM 990 C LEU A 558 5.376 -1.046 -6.247 1.00 0.00 C ATOM 991 O LEU A 558 6.017 -0.035 -5.963 1.00 0.00 O ATOM 992 CB LEU A 558 3.064 -1.830 -5.702 1.00 0.00 C ATOM 993 CG LEU A 558 1.584 -1.428 -5.798 1.00 0.00 C ATOM 994 CD1 LEU A 558 0.725 -2.525 -5.163 1.00 0.00 C ATOM 995 CD2 LEU A 558 1.331 -0.092 -5.069 1.00 0.00 C ATOM 0 H LEU A 558 3.393 -2.335 -8.127 1.00 0.00 H new ATOM 0 HA LEU A 558 3.585 0.086 -6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 558 3.183 -2.880 -5.971 1.00 0.00 H new ATOM 0 HB3 LEU A 558 3.413 -1.722 -4.675 1.00 0.00 H new ATOM 0 HG LEU A 558 1.321 -1.304 -6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -0.327 -2.247 -5.227 1.00 0.00 H new ATOM 0 HD12 LEU A 558 0.885 -3.464 -5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 558 1.005 -2.646 -4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 558 0.277 0.173 -5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 558 1.600 -0.195 -4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 558 1.938 0.691 -5.524 1.00 0.00 H new ATOM 1007 N GLN A 559 5.902 -2.266 -6.232 1.00 0.00 N ATOM 1008 CA GLN A 559 7.299 -2.478 -5.871 1.00 0.00 C ATOM 1009 C GLN A 559 8.196 -1.443 -6.546 1.00 0.00 C ATOM 1010 O GLN A 559 9.270 -1.118 -6.041 1.00 0.00 O ATOM 1011 CB GLN A 559 7.734 -3.882 -6.290 1.00 0.00 C ATOM 1012 CG GLN A 559 6.883 -4.924 -5.557 1.00 0.00 C ATOM 1013 CD GLN A 559 7.024 -6.278 -6.242 1.00 0.00 C ATOM 1014 OE1 GLN A 559 7.119 -7.304 -5.573 1.00 0.00 O ATOM 1015 NE2 GLN A 559 7.044 -6.341 -7.546 1.00 0.00 N ATOM 0 H GLN A 559 5.388 -3.116 -6.463 1.00 0.00 H new ATOM 0 HA GLN A 559 7.395 -2.371 -4.791 1.00 0.00 H new ATOM 0 HB2 GLN A 559 7.624 -4.001 -7.368 1.00 0.00 H new ATOM 0 HB3 GLN A 559 8.789 -4.031 -6.059 1.00 0.00 H new ATOM 0 HG2 GLN A 559 7.198 -4.998 -4.516 1.00 0.00 H new ATOM 0 HG3 GLN A 559 5.838 -4.615 -5.552 1.00 0.00 H new ATOM 0 HE21 GLN A 559 6.965 -5.488 -8.099 1.00 0.00 H new ATOM 0 HE22 GLN A 559 7.139 -7.244 -8.012 1.00 0.00 H new ATOM 1024 N SER A 560 7.745 -0.923 -7.684 1.00 0.00 N ATOM 1025 CA SER A 560 8.517 0.083 -8.411 1.00 0.00 C ATOM 1026 C SER A 560 8.669 1.355 -7.578 1.00 0.00 C ATOM 1027 O SER A 560 9.770 1.888 -7.452 1.00 0.00 O ATOM 1028 CB SER A 560 7.823 0.416 -9.732 1.00 0.00 C ATOM 1029 OG SER A 560 6.735 1.295 -9.482 1.00 0.00 O ATOM 0 H SER A 560 6.859 -1.177 -8.120 1.00 0.00 H new ATOM 0 HA SER A 560 9.508 -0.324 -8.611 1.00 0.00 H new ATOM 0 HB2 SER A 560 8.529 0.880 -10.420 1.00 0.00 H new ATOM 0 HB3 SER A 560 7.466 -0.497 -10.209 1.00 0.00 H new ATOM 0 HG SER A 560 6.047 0.825 -8.966 1.00 0.00 H new ATOM 1035 N TYR A 561 7.566 1.846 -7.016 1.00 0.00 N ATOM 1036 CA TYR A 561 7.625 3.065 -6.209 1.00 0.00 C ATOM 1037 C TYR A 561 8.758 2.975 -5.186 1.00 0.00 C ATOM 1038 O TYR A 561 9.127 3.973 -4.568 1.00 0.00 O ATOM 1039 CB TYR A 561 6.290 3.288 -5.467 1.00 0.00 C ATOM 1040 CG TYR A 561 5.277 3.960 -6.376 1.00 0.00 C ATOM 1041 CD1 TYR A 561 5.537 5.231 -6.905 1.00 0.00 C ATOM 1042 CD2 TYR A 561 4.072 3.314 -6.678 1.00 0.00 C ATOM 1043 CE1 TYR A 561 4.597 5.848 -7.737 1.00 0.00 C ATOM 1044 CE2 TYR A 561 3.133 3.931 -7.508 1.00 0.00 C ATOM 1045 CZ TYR A 561 3.394 5.198 -8.038 1.00 0.00 C ATOM 1046 OH TYR A 561 2.467 5.809 -8.858 1.00 0.00 O ATOM 0 H TYR A 561 6.639 1.430 -7.101 1.00 0.00 H new ATOM 0 HA TYR A 561 7.809 3.904 -6.880 1.00 0.00 H new ATOM 0 HB2 TYR A 561 5.897 2.332 -5.120 1.00 0.00 H new ATOM 0 HB3 TYR A 561 6.458 3.904 -4.583 1.00 0.00 H new ATOM 0 HD1 TYR A 561 6.463 5.734 -6.670 1.00 0.00 H new ATOM 0 HD2 TYR A 561 3.868 2.336 -6.268 1.00 0.00 H new ATOM 0 HE1 TYR A 561 4.799 6.826 -8.147 1.00 0.00 H new ATOM 0 HE2 TYR A 561 2.205 3.429 -7.740 1.00 0.00 H new ATOM 0 HH TYR A 561 1.689 5.223 -8.966 1.00 0.00 H new ATOM 1056 N LEU A 562 9.307 1.774 -5.021 1.00 0.00 N ATOM 1057 CA LEU A 562 10.405 1.554 -4.078 1.00 0.00 C ATOM 1058 C LEU A 562 11.722 1.387 -4.830 1.00 0.00 C ATOM 1059 O LEU A 562 12.778 1.802 -4.354 1.00 0.00 O ATOM 1060 CB LEU A 562 10.133 0.300 -3.242 1.00 0.00 C ATOM 1061 CG LEU A 562 8.698 0.332 -2.709 1.00 0.00 C ATOM 1062 CD1 LEU A 562 8.417 -0.959 -1.937 1.00 0.00 C ATOM 1063 CD2 LEU A 562 8.518 1.535 -1.776 1.00 0.00 C ATOM 0 H LEU A 562 9.012 0.939 -5.526 1.00 0.00 H new ATOM 0 HA LEU A 562 10.477 2.420 -3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 562 10.285 -0.593 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 562 10.838 0.245 -2.412 1.00 0.00 H new ATOM 0 HG LEU A 562 8.003 0.419 -3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 562 7.396 -0.940 -1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 562 8.541 -1.814 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 562 9.114 -1.043 -1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 562 7.495 1.553 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 562 9.212 1.453 -0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 562 8.719 2.455 -2.325 1.00 0.00 H new ATOM 1075 N GLU A 563 11.646 0.773 -6.008 1.00 0.00 N ATOM 1076 CA GLU A 563 12.833 0.552 -6.826 1.00 0.00 C ATOM 1077 C GLU A 563 13.862 -0.274 -6.063 1.00 0.00 C ATOM 1078 O GLU A 563 14.734 0.272 -5.386 1.00 0.00 O ATOM 1079 CB GLU A 563 13.446 1.893 -7.236 1.00 0.00 C ATOM 1080 CG GLU A 563 14.561 1.654 -8.255 1.00 0.00 C ATOM 1081 CD GLU A 563 15.018 2.983 -8.848 1.00 0.00 C ATOM 1082 OE1 GLU A 563 14.167 3.724 -9.314 1.00 0.00 O ATOM 1083 OE2 GLU A 563 16.210 3.241 -8.827 1.00 0.00 O ATOM 0 H GLU A 563 10.779 0.422 -6.415 1.00 0.00 H new ATOM 0 HA GLU A 563 12.538 0.004 -7.721 1.00 0.00 H new ATOM 0 HB2 GLU A 563 12.680 2.539 -7.664 1.00 0.00 H new ATOM 0 HB3 GLU A 563 13.843 2.406 -6.360 1.00 0.00 H new ATOM 0 HG2 GLU A 563 15.401 1.152 -7.776 1.00 0.00 H new ATOM 0 HG3 GLU A 563 14.206 0.995 -9.048 1.00 0.00 H new ATOM 1090 N THR A 564 13.753 -1.594 -6.178 1.00 0.00 N ATOM 1091 CA THR A 564 14.675 -2.500 -5.496 1.00 0.00 C ATOM 1092 C THR A 564 14.871 -3.775 -6.311 1.00 0.00 C ATOM 1093 O THR A 564 13.929 -4.292 -6.910 1.00 0.00 O ATOM 1094 CB THR A 564 14.126 -2.860 -4.114 1.00 0.00 C ATOM 1095 OG1 THR A 564 15.074 -3.659 -3.422 1.00 0.00 O ATOM 1096 CG2 THR A 564 12.817 -3.635 -4.270 1.00 0.00 C ATOM 0 H THR A 564 13.038 -2.061 -6.735 1.00 0.00 H new ATOM 0 HA THR A 564 15.636 -1.997 -5.387 1.00 0.00 H new ATOM 0 HB THR A 564 13.940 -1.948 -3.548 1.00 0.00 H new ATOM 0 HG1 THR A 564 14.631 -4.456 -3.064 1.00 0.00 H new ATOM 0 HG21 THR A 564 12.426 -3.891 -3.285 1.00 0.00 H new ATOM 0 HG22 THR A 564 12.090 -3.019 -4.800 1.00 0.00 H new ATOM 0 HG23 THR A 564 13.000 -4.548 -4.837 1.00 0.00 H new ATOM 1104 N SER A 565 16.102 -4.277 -6.328 1.00 0.00 N ATOM 1105 CA SER A 565 16.411 -5.493 -7.072 1.00 0.00 C ATOM 1106 C SER A 565 16.066 -5.321 -8.548 1.00 0.00 C ATOM 1107 O SER A 565 15.309 -6.109 -9.113 1.00 0.00 O ATOM 1108 CB SER A 565 15.624 -6.671 -6.496 1.00 0.00 C ATOM 1109 OG SER A 565 16.121 -7.883 -7.050 1.00 0.00 O ATOM 0 H SER A 565 16.896 -3.864 -5.839 1.00 0.00 H new ATOM 0 HA SER A 565 17.479 -5.690 -6.981 1.00 0.00 H new ATOM 0 HB2 SER A 565 15.717 -6.689 -5.410 1.00 0.00 H new ATOM 0 HB3 SER A 565 14.564 -6.561 -6.724 1.00 0.00 H new ATOM 0 HG SER A 565 15.941 -7.900 -8.013 1.00 0.00 H new ATOM 1115 N GLY A 566 16.627 -4.286 -9.165 1.00 0.00 N ATOM 1116 CA GLY A 566 16.371 -4.022 -10.575 1.00 0.00 C ATOM 1117 C GLY A 566 17.010 -5.091 -11.455 1.00 0.00 C ATOM 1118 O GLY A 566 16.340 -6.024 -11.900 1.00 0.00 O ATOM 0 H GLY A 566 17.257 -3.622 -8.715 1.00 0.00 H new ATOM 0 HA2 GLY A 566 15.296 -3.993 -10.754 1.00 0.00 H new ATOM 0 HA3 GLY A 566 16.765 -3.042 -10.843 1.00 0.00 H new ATOM 1122 N THR A 567 18.308 -4.950 -11.701 1.00 0.00 N ATOM 1123 CA THR A 567 19.027 -5.913 -12.529 1.00 0.00 C ATOM 1124 C THR A 567 19.000 -7.298 -11.889 1.00 0.00 C ATOM 1125 O THR A 567 18.971 -7.425 -10.664 1.00 0.00 O ATOM 1126 CB THR A 567 20.477 -5.463 -12.714 1.00 0.00 C ATOM 1127 OG1 THR A 567 21.147 -5.502 -11.461 1.00 0.00 O ATOM 1128 CG2 THR A 567 20.505 -4.036 -13.266 1.00 0.00 C ATOM 0 H THR A 567 18.880 -4.185 -11.343 1.00 0.00 H new ATOM 0 HA THR A 567 18.536 -5.965 -13.501 1.00 0.00 H new ATOM 0 HB THR A 567 20.978 -6.130 -13.415 1.00 0.00 H new ATOM 0 HG1 THR A 567 22.077 -5.216 -11.578 1.00 0.00 H new ATOM 0 HG21 THR A 567 21.539 -3.717 -13.397 1.00 0.00 H new ATOM 0 HG22 THR A 567 19.992 -4.008 -14.227 1.00 0.00 H new ATOM 0 HG23 THR A 567 20.004 -3.366 -12.567 1.00 0.00 H new ATOM 1136 N SER A 568 19.010 -8.331 -12.724 1.00 0.00 N ATOM 1137 CA SER A 568 18.986 -9.702 -12.227 1.00 0.00 C ATOM 1138 C SER A 568 20.330 -10.069 -11.605 1.00 0.00 C ATOM 1139 O SER A 568 21.250 -9.277 -11.722 1.00 0.00 O ATOM 1140 CB SER A 568 18.671 -10.665 -13.370 1.00 0.00 C ATOM 1141 OG SER A 568 19.759 -10.683 -14.284 1.00 0.00 O ATOM 1142 OXT SER A 568 20.417 -11.138 -11.021 1.00 0.00 O ATOM 0 H SER A 568 19.034 -8.247 -13.740 1.00 0.00 H new ATOM 0 HA SER A 568 18.212 -9.779 -11.464 1.00 0.00 H new ATOM 0 HB2 SER A 568 18.494 -11.667 -12.978 1.00 0.00 H new ATOM 0 HB3 SER A 568 17.758 -10.356 -13.880 1.00 0.00 H new ATOM 0 HG SER A 568 19.560 -11.302 -15.017 1.00 0.00 H new TER 1148 SER A 568 ATOM 1149 N THR B 876 1.016 -15.636 2.527 1.00 0.00 N ATOM 1150 CA THR B 876 -0.433 -15.974 2.596 1.00 0.00 C ATOM 1151 C THR B 876 -0.945 -15.726 4.011 1.00 0.00 C ATOM 1152 O THR B 876 -2.151 -15.711 4.251 1.00 0.00 O ATOM 1153 CB THR B 876 -0.628 -17.446 2.222 1.00 0.00 C ATOM 1154 OG1 THR B 876 -0.275 -17.636 0.859 1.00 0.00 O ATOM 1155 CG2 THR B 876 -2.091 -17.839 2.431 1.00 0.00 C ATOM 0 HA THR B 876 -0.991 -15.349 1.899 1.00 0.00 H new ATOM 0 HB THR B 876 0.006 -18.069 2.853 1.00 0.00 H new ATOM 0 HG1 THR B 876 -0.397 -18.578 0.618 1.00 0.00 H new ATOM 0 HG21 THR B 876 -2.228 -18.887 2.164 1.00 0.00 H new ATOM 0 HG22 THR B 876 -2.361 -17.692 3.477 1.00 0.00 H new ATOM 0 HG23 THR B 876 -2.728 -17.218 1.801 1.00 0.00 H new ATOM 1165 N ASN B 877 -0.018 -15.535 4.946 1.00 0.00 N ATOM 1166 CA ASN B 877 -0.388 -15.292 6.334 1.00 0.00 C ATOM 1167 C ASN B 877 -0.828 -13.847 6.528 1.00 0.00 C ATOM 1168 O ASN B 877 -0.802 -13.323 7.641 1.00 0.00 O ATOM 1169 CB ASN B 877 0.796 -15.599 7.253 1.00 0.00 C ATOM 1170 CG ASN B 877 0.394 -15.399 8.710 1.00 0.00 C ATOM 1171 OD1 ASN B 877 0.966 -14.559 9.405 1.00 0.00 O ATOM 1172 ND2 ASN B 877 -0.563 -16.127 9.219 1.00 0.00 N ATOM 0 H ASN B 877 0.986 -15.544 4.768 1.00 0.00 H new ATOM 0 HA ASN B 877 -1.221 -15.948 6.587 1.00 0.00 H new ATOM 0 HB2 ASN B 877 1.131 -16.625 7.098 1.00 0.00 H new ATOM 0 HB3 ASN B 877 1.636 -14.949 7.007 1.00 0.00 H new ATOM 0 HD21 ASN B 877 -0.837 -16.000 10.193 1.00 0.00 H new ATOM 0 HD22 ASN B 877 -1.036 -16.823 8.642 1.00 0.00 H new ATOM 1179 N LYS B 878 -1.239 -13.222 5.433 1.00 0.00 N ATOM 1180 CA LYS B 878 -1.693 -11.838 5.466 1.00 0.00 C ATOM 1181 C LYS B 878 -0.617 -10.924 6.045 1.00 0.00 C ATOM 1182 O LYS B 878 0.175 -11.333 6.893 1.00 0.00 O ATOM 1183 CB LYS B 878 -2.970 -11.723 6.302 1.00 0.00 C ATOM 1184 CG LYS B 878 -4.093 -12.513 5.626 1.00 0.00 C ATOM 1185 CD LYS B 878 -5.427 -12.177 6.296 1.00 0.00 C ATOM 1186 CE LYS B 878 -6.543 -13.000 5.650 1.00 0.00 C ATOM 1187 NZ LYS B 878 -7.846 -12.657 6.288 1.00 0.00 N ATOM 0 H LYS B 878 -1.267 -13.652 4.509 1.00 0.00 H new ATOM 0 HA LYS B 878 -1.900 -11.525 4.442 1.00 0.00 H new ATOM 0 HB2 LYS B 878 -2.795 -12.106 7.307 1.00 0.00 H new ATOM 0 HB3 LYS B 878 -3.257 -10.677 6.405 1.00 0.00 H new ATOM 0 HG2 LYS B 878 -4.135 -12.270 4.564 1.00 0.00 H new ATOM 0 HG3 LYS B 878 -3.896 -13.582 5.700 1.00 0.00 H new ATOM 0 HD2 LYS B 878 -5.374 -12.391 7.364 1.00 0.00 H new ATOM 0 HD3 LYS B 878 -5.640 -11.113 6.194 1.00 0.00 H new ATOM 0 HE2 LYS B 878 -6.586 -12.798 4.580 1.00 0.00 H new ATOM 0 HE3 LYS B 878 -6.338 -14.064 5.766 1.00 0.00 H new ATOM 0 HZ1 LYS B 878 -8.605 -13.216 5.849 1.00 0.00 H new ATOM 0 HZ2 LYS B 878 -7.802 -12.871 7.305 1.00 0.00 H new ATOM 0 HZ3 LYS B 878 -8.041 -11.644 6.156 1.00 0.00 H new ATOM 1201 N LEU B 879 -0.598 -9.680 5.578 1.00 0.00 N ATOM 1202 CA LEU B 879 0.373 -8.692 6.043 1.00 0.00 C ATOM 1203 C LEU B 879 -0.330 -7.354 6.242 1.00 0.00 C ATOM 1204 O LEU B 879 -0.350 -6.528 5.332 1.00 0.00 O ATOM 1205 CB LEU B 879 1.461 -8.496 4.980 1.00 0.00 C ATOM 1206 CG LEU B 879 2.329 -9.765 4.828 1.00 0.00 C ATOM 1207 CD1 LEU B 879 2.893 -9.838 3.401 1.00 0.00 C ATOM 1208 CD2 LEU B 879 3.492 -9.729 5.832 1.00 0.00 C ATOM 0 H LEU B 879 -1.247 -9.329 4.874 1.00 0.00 H new ATOM 0 HA LEU B 879 0.814 -9.041 6.977 1.00 0.00 H new ATOM 0 HB2 LEU B 879 0.999 -8.252 4.024 1.00 0.00 H new ATOM 0 HB3 LEU B 879 2.093 -7.651 5.254 1.00 0.00 H new ATOM 0 HG LEU B 879 1.711 -10.642 5.023 1.00 0.00 H new ATOM 0 HD11 LEU B 879 3.505 -10.734 3.297 1.00 0.00 H new ATOM 0 HD12 LEU B 879 2.071 -9.875 2.686 1.00 0.00 H new ATOM 0 HD13 LEU B 879 3.504 -8.957 3.206 1.00 0.00 H new ATOM 0 HD21 LEU B 879 4.099 -10.627 5.718 1.00 0.00 H new ATOM 0 HD22 LEU B 879 4.107 -8.849 5.645 1.00 0.00 H new ATOM 0 HD23 LEU B 879 3.096 -9.685 6.846 1.00 0.00 H new ATOM 1220 N PRO B 880 -0.902 -7.111 7.389 1.00 0.00 N ATOM 1221 CA PRO B 880 -1.606 -5.830 7.648 1.00 0.00 C ATOM 1222 C PRO B 880 -0.617 -4.723 8.012 1.00 0.00 C ATOM 1223 O PRO B 880 0.198 -4.883 8.919 1.00 0.00 O ATOM 1224 CB PRO B 880 -2.538 -6.171 8.816 1.00 0.00 C ATOM 1225 CG PRO B 880 -1.823 -7.248 9.577 1.00 0.00 C ATOM 1226 CD PRO B 880 -0.950 -8.009 8.558 1.00 0.00 C ATOM 0 HA PRO B 880 -2.145 -5.450 6.780 1.00 0.00 H new ATOM 0 HB2 PRO B 880 -2.721 -5.299 9.443 1.00 0.00 H new ATOM 0 HB3 PRO B 880 -3.508 -6.516 8.460 1.00 0.00 H new ATOM 0 HG2 PRO B 880 -1.208 -6.819 10.369 1.00 0.00 H new ATOM 0 HG3 PRO B 880 -2.535 -7.921 10.055 1.00 0.00 H new ATOM 0 HD2 PRO B 880 0.047 -8.204 8.953 1.00 0.00 H new ATOM 0 HD3 PRO B 880 -1.385 -8.975 8.302 1.00 0.00 H new ATOM 1234 N VAL B 881 -0.718 -3.586 7.321 1.00 0.00 N ATOM 1235 CA VAL B 881 0.152 -2.439 7.590 1.00 0.00 C ATOM 1236 C VAL B 881 -0.701 -1.202 7.837 1.00 0.00 C ATOM 1237 O VAL B 881 -1.289 -0.649 6.909 1.00 0.00 O ATOM 1238 CB VAL B 881 1.076 -2.190 6.396 1.00 0.00 C ATOM 1239 CG1 VAL B 881 1.891 -0.915 6.633 1.00 0.00 C ATOM 1240 CG2 VAL B 881 2.026 -3.378 6.232 1.00 0.00 C ATOM 0 H VAL B 881 -1.393 -3.435 6.571 1.00 0.00 H new ATOM 0 HA VAL B 881 0.757 -2.650 8.472 1.00 0.00 H new ATOM 0 HB VAL B 881 0.477 -2.073 5.493 1.00 0.00 H new ATOM 0 HG11 VAL B 881 2.548 -0.740 5.781 1.00 0.00 H new ATOM 0 HG12 VAL B 881 1.215 -0.068 6.750 1.00 0.00 H new ATOM 0 HG13 VAL B 881 2.490 -1.029 7.536 1.00 0.00 H new ATOM 0 HG21 VAL B 881 2.685 -3.202 5.382 1.00 0.00 H new ATOM 0 HG22 VAL B 881 2.623 -3.494 7.136 1.00 0.00 H new ATOM 0 HG23 VAL B 881 1.447 -4.286 6.061 1.00 0.00 H new ATOM 1250 N SER B 882 -0.770 -0.772 9.095 1.00 0.00 N ATOM 1251 CA SER B 882 -1.562 0.403 9.460 1.00 0.00 C ATOM 1252 C SER B 882 -0.681 1.643 9.563 1.00 0.00 C ATOM 1253 O SER B 882 0.322 1.646 10.275 1.00 0.00 O ATOM 1254 CB SER B 882 -2.254 0.162 10.802 1.00 0.00 C ATOM 1255 OG SER B 882 -3.001 -1.046 10.735 1.00 0.00 O ATOM 0 H SER B 882 -0.289 -1.217 9.877 1.00 0.00 H new ATOM 0 HA SER B 882 -2.307 0.568 8.682 1.00 0.00 H new ATOM 0 HB2 SER B 882 -1.514 0.102 11.600 1.00 0.00 H new ATOM 0 HB3 SER B 882 -2.912 0.997 11.040 1.00 0.00 H new ATOM 0 HG SER B 882 -3.916 -0.883 11.046 1.00 0.00 H new ATOM 1261 N ILE B 883 -1.061 2.701 8.845 1.00 0.00 N ATOM 1262 CA ILE B 883 -0.307 3.959 8.846 1.00 0.00 C ATOM 1263 C ILE B 883 -1.253 5.098 9.272 1.00 0.00 C ATOM 1264 O ILE B 883 -2.429 5.084 8.908 1.00 0.00 O ATOM 1265 CB ILE B 883 0.267 4.242 7.416 1.00 0.00 C ATOM 1266 CG1 ILE B 883 -0.233 3.182 6.421 1.00 0.00 C ATOM 1267 CG2 ILE B 883 1.810 4.216 7.422 1.00 0.00 C ATOM 1268 CD1 ILE B 883 0.056 3.634 4.984 1.00 0.00 C ATOM 0 H ILE B 883 -1.891 2.713 8.252 1.00 0.00 H new ATOM 0 HA ILE B 883 0.528 3.891 9.544 1.00 0.00 H new ATOM 0 HB ILE B 883 -0.077 5.232 7.115 1.00 0.00 H new ATOM 0 HG12 ILE B 883 0.257 2.228 6.616 1.00 0.00 H new ATOM 0 HG13 ILE B 883 -1.303 3.024 6.553 1.00 0.00 H new ATOM 0 HG21 ILE B 883 2.181 4.415 6.417 1.00 0.00 H new ATOM 0 HG22 ILE B 883 2.184 4.979 8.105 1.00 0.00 H new ATOM 0 HG23 ILE B 883 2.156 3.235 7.749 1.00 0.00 H new ATOM 0 HD11 ILE B 883 -0.301 2.877 4.286 1.00 0.00 H new ATOM 0 HD12 ILE B 883 -0.455 4.577 4.790 1.00 0.00 H new ATOM 0 HD13 ILE B 883 1.130 3.769 4.854 1.00 0.00 H new ATOM 1280 N PRO B 884 -0.785 6.076 10.018 1.00 0.00 N ATOM 1281 CA PRO B 884 -1.650 7.210 10.461 1.00 0.00 C ATOM 1282 C PRO B 884 -2.099 8.069 9.280 1.00 0.00 C ATOM 1283 O PRO B 884 -1.290 8.459 8.439 1.00 0.00 O ATOM 1284 CB PRO B 884 -0.755 8.000 11.434 1.00 0.00 C ATOM 1285 CG PRO B 884 0.644 7.657 11.035 1.00 0.00 C ATOM 1286 CD PRO B 884 0.594 6.218 10.521 1.00 0.00 C ATOM 0 HA PRO B 884 -2.575 6.873 10.928 1.00 0.00 H new ATOM 0 HB2 PRO B 884 -0.936 9.072 11.356 1.00 0.00 H new ATOM 0 HB3 PRO B 884 -0.951 7.718 12.468 1.00 0.00 H new ATOM 0 HG2 PRO B 884 1.007 8.335 10.263 1.00 0.00 H new ATOM 0 HG3 PRO B 884 1.324 7.746 11.882 1.00 0.00 H new ATOM 0 HD2 PRO B 884 1.328 6.048 9.733 1.00 0.00 H new ATOM 0 HD3 PRO B 884 0.807 5.501 11.314 1.00 0.00 H new ATOM 1294 N LEU B 885 -3.395 8.351 9.224 1.00 0.00 N ATOM 1295 CA LEU B 885 -3.948 9.156 8.142 1.00 0.00 C ATOM 1296 C LEU B 885 -3.318 10.543 8.129 1.00 0.00 C ATOM 1297 O LEU B 885 -3.441 11.281 7.151 1.00 0.00 O ATOM 1298 CB LEU B 885 -5.463 9.296 8.307 1.00 0.00 C ATOM 1299 CG LEU B 885 -6.106 7.917 8.481 1.00 0.00 C ATOM 1300 CD1 LEU B 885 -7.625 8.082 8.578 1.00 0.00 C ATOM 1301 CD2 LEU B 885 -5.760 7.021 7.281 1.00 0.00 C ATOM 0 H LEU B 885 -4.080 8.036 9.911 1.00 0.00 H new ATOM 0 HA LEU B 885 -3.728 8.653 7.200 1.00 0.00 H new ATOM 0 HB2 LEU B 885 -5.686 9.921 9.172 1.00 0.00 H new ATOM 0 HB3 LEU B 885 -5.886 9.795 7.436 1.00 0.00 H new ATOM 0 HG LEU B 885 -5.726 7.452 9.390 1.00 0.00 H new ATOM 0 HD11 LEU B 885 -8.090 7.104 8.702 1.00 0.00 H new ATOM 0 HD12 LEU B 885 -7.869 8.711 9.434 1.00 0.00 H new ATOM 0 HD13 LEU B 885 -7.999 8.549 7.667 1.00 0.00 H new ATOM 0 HD21 LEU B 885 -6.221 6.042 7.413 1.00 0.00 H new ATOM 0 HD22 LEU B 885 -6.135 7.478 6.365 1.00 0.00 H new ATOM 0 HD23 LEU B 885 -4.678 6.906 7.213 1.00 0.00 H new ATOM 1313 N ALA B 886 -2.628 10.883 9.209 1.00 0.00 N ATOM 1314 CA ALA B 886 -1.964 12.175 9.299 1.00 0.00 C ATOM 1315 C ALA B 886 -0.750 12.198 8.373 1.00 0.00 C ATOM 1316 O ALA B 886 -0.296 13.262 7.954 1.00 0.00 O ATOM 1317 CB ALA B 886 -1.523 12.431 10.741 1.00 0.00 C ATOM 0 H ALA B 886 -2.514 10.287 10.029 1.00 0.00 H new ATOM 0 HA ALA B 886 -2.659 12.957 8.995 1.00 0.00 H new ATOM 0 HB1 ALA B 886 -1.026 13.399 10.803 1.00 0.00 H new ATOM 0 HB2 ALA B 886 -2.396 12.428 11.394 1.00 0.00 H new ATOM 0 HB3 ALA B 886 -0.832 11.648 11.055 1.00 0.00 H new ATOM 1323 N SER B 887 -0.222 11.012 8.070 1.00 0.00 N ATOM 1324 CA SER B 887 0.954 10.898 7.207 1.00 0.00 C ATOM 1325 C SER B 887 0.559 10.851 5.733 1.00 0.00 C ATOM 1326 O SER B 887 1.409 10.988 4.853 1.00 0.00 O ATOM 1327 CB SER B 887 1.735 9.635 7.562 1.00 0.00 C ATOM 1328 OG SER B 887 2.271 9.767 8.872 1.00 0.00 O ATOM 0 H SER B 887 -0.587 10.121 8.407 1.00 0.00 H new ATOM 0 HA SER B 887 1.576 11.778 7.369 1.00 0.00 H new ATOM 0 HB2 SER B 887 1.083 8.763 7.510 1.00 0.00 H new ATOM 0 HB3 SER B 887 2.538 9.476 6.842 1.00 0.00 H new ATOM 0 HG SER B 887 2.731 8.939 9.122 1.00 0.00 H new ATOM 1334 N VAL B 888 -0.732 10.654 5.467 1.00 0.00 N ATOM 1335 CA VAL B 888 -1.227 10.588 4.094 1.00 0.00 C ATOM 1336 C VAL B 888 -2.558 11.316 3.981 1.00 0.00 C ATOM 1337 O VAL B 888 -3.010 11.965 4.926 1.00 0.00 O ATOM 1338 CB VAL B 888 -1.405 9.127 3.664 1.00 0.00 C ATOM 1339 CG1 VAL B 888 -0.034 8.490 3.422 1.00 0.00 C ATOM 1340 CG2 VAL B 888 -2.139 8.358 4.764 1.00 0.00 C ATOM 0 H VAL B 888 -1.451 10.538 6.181 1.00 0.00 H new ATOM 0 HA VAL B 888 -0.498 11.067 3.440 1.00 0.00 H new ATOM 0 HB VAL B 888 -1.987 9.090 2.743 1.00 0.00 H new ATOM 0 HG11 VAL B 888 -0.164 7.452 3.117 1.00 0.00 H new ATOM 0 HG12 VAL B 888 0.488 9.037 2.636 1.00 0.00 H new ATOM 0 HG13 VAL B 888 0.552 8.527 4.340 1.00 0.00 H new ATOM 0 HG21 VAL B 888 -2.266 7.319 4.459 1.00 0.00 H new ATOM 0 HG22 VAL B 888 -1.558 8.397 5.685 1.00 0.00 H new ATOM 0 HG23 VAL B 888 -3.117 8.809 4.933 1.00 0.00 H new ATOM 1350 N VAL B 889 -3.183 11.195 2.817 1.00 0.00 N ATOM 1351 CA VAL B 889 -4.476 11.832 2.560 1.00 0.00 C ATOM 1352 C VAL B 889 -5.368 10.904 1.750 1.00 0.00 C ATOM 1353 O VAL B 889 -4.959 10.361 0.722 1.00 0.00 O ATOM 1354 CB VAL B 889 -4.266 13.143 1.801 1.00 0.00 C ATOM 1355 CG1 VAL B 889 -5.582 13.922 1.753 1.00 0.00 C ATOM 1356 CG2 VAL B 889 -3.204 13.977 2.520 1.00 0.00 C ATOM 0 H VAL B 889 -2.816 10.660 2.030 1.00 0.00 H new ATOM 0 HA VAL B 889 -4.961 12.042 3.513 1.00 0.00 H new ATOM 0 HB VAL B 889 -3.936 12.929 0.784 1.00 0.00 H new ATOM 0 HG11 VAL B 889 -5.432 14.856 1.212 1.00 0.00 H new ATOM 0 HG12 VAL B 889 -6.339 13.326 1.244 1.00 0.00 H new ATOM 0 HG13 VAL B 889 -5.913 14.140 2.768 1.00 0.00 H new ATOM 0 HG21 VAL B 889 -3.051 14.913 1.982 1.00 0.00 H new ATOM 0 HG22 VAL B 889 -3.536 14.192 3.536 1.00 0.00 H new ATOM 0 HG23 VAL B 889 -2.267 13.421 2.555 1.00 0.00 H new ATOM 1366 N LEU B 890 -6.594 10.733 2.229 1.00 0.00 N ATOM 1367 CA LEU B 890 -7.566 9.880 1.563 1.00 0.00 C ATOM 1368 C LEU B 890 -8.286 10.663 0.458 1.00 0.00 C ATOM 1369 O LEU B 890 -8.515 11.863 0.606 1.00 0.00 O ATOM 1370 CB LEU B 890 -8.590 9.397 2.589 1.00 0.00 C ATOM 1371 CG LEU B 890 -7.883 8.636 3.718 1.00 0.00 C ATOM 1372 CD1 LEU B 890 -8.894 8.329 4.828 1.00 0.00 C ATOM 1373 CD2 LEU B 890 -7.283 7.322 3.182 1.00 0.00 C ATOM 0 H LEU B 890 -6.938 11.177 3.080 1.00 0.00 H new ATOM 0 HA LEU B 890 -7.052 9.029 1.117 1.00 0.00 H new ATOM 0 HB2 LEU B 890 -9.136 10.247 2.998 1.00 0.00 H new ATOM 0 HB3 LEU B 890 -9.323 8.750 2.107 1.00 0.00 H new ATOM 0 HG LEU B 890 -7.076 9.251 4.115 1.00 0.00 H new ATOM 0 HD11 LEU B 890 -8.397 7.788 5.633 1.00 0.00 H new ATOM 0 HD12 LEU B 890 -9.303 9.262 5.216 1.00 0.00 H new ATOM 0 HD13 LEU B 890 -9.702 7.718 4.425 1.00 0.00 H new ATOM 0 HD21 LEU B 890 -6.784 6.792 3.994 1.00 0.00 H new ATOM 0 HD22 LEU B 890 -8.079 6.698 2.776 1.00 0.00 H new ATOM 0 HD23 LEU B 890 -6.561 7.545 2.397 1.00 0.00 H new ATOM 1385 N PRO B 891 -8.653 10.030 -0.634 1.00 0.00 N ATOM 1386 CA PRO B 891 -9.367 10.717 -1.752 1.00 0.00 C ATOM 1387 C PRO B 891 -10.841 10.955 -1.426 1.00 0.00 C ATOM 1388 O PRO B 891 -11.326 10.553 -0.368 1.00 0.00 O ATOM 1389 CB PRO B 891 -9.212 9.737 -2.918 1.00 0.00 C ATOM 1390 CG PRO B 891 -9.177 8.399 -2.262 1.00 0.00 C ATOM 1391 CD PRO B 891 -8.439 8.601 -0.936 1.00 0.00 C ATOM 0 HA PRO B 891 -8.963 11.707 -1.962 1.00 0.00 H new ATOM 0 HB2 PRO B 891 -10.043 9.816 -3.619 1.00 0.00 H new ATOM 0 HB3 PRO B 891 -8.299 9.929 -3.482 1.00 0.00 H new ATOM 0 HG2 PRO B 891 -10.185 8.020 -2.094 1.00 0.00 H new ATOM 0 HG3 PRO B 891 -8.662 7.670 -2.888 1.00 0.00 H new ATOM 0 HD2 PRO B 891 -8.842 7.961 -0.151 1.00 0.00 H new ATOM 0 HD3 PRO B 891 -7.379 8.365 -1.027 1.00 0.00 H new ATOM 1399 N SER B 892 -11.549 11.608 -2.343 1.00 0.00 N ATOM 1400 CA SER B 892 -12.967 11.890 -2.144 1.00 0.00 C ATOM 1401 C SER B 892 -13.801 10.649 -2.442 1.00 0.00 C ATOM 1402 O SER B 892 -13.447 9.840 -3.300 1.00 0.00 O ATOM 1403 CB SER B 892 -13.405 13.033 -3.059 1.00 0.00 C ATOM 1404 OG SER B 892 -12.504 14.124 -2.911 1.00 0.00 O ATOM 0 H SER B 892 -11.168 11.950 -3.225 1.00 0.00 H new ATOM 0 HA SER B 892 -13.121 12.180 -1.105 1.00 0.00 H new ATOM 0 HB2 SER B 892 -13.422 12.698 -4.096 1.00 0.00 H new ATOM 0 HB3 SER B 892 -14.419 13.347 -2.809 1.00 0.00 H new ATOM 0 HG SER B 892 -12.781 14.859 -3.498 1.00 0.00 H new ATOM 1410 N ARG B 893 -14.914 10.507 -1.727 1.00 0.00 N ATOM 1411 CA ARG B 893 -15.797 9.364 -1.919 1.00 0.00 C ATOM 1412 C ARG B 893 -17.076 9.536 -1.104 1.00 0.00 C ATOM 1413 O ARG B 893 -17.049 10.071 0.004 1.00 0.00 O ATOM 1414 CB ARG B 893 -15.089 8.078 -1.493 1.00 0.00 C ATOM 1415 CG ARG B 893 -15.990 6.876 -1.782 1.00 0.00 C ATOM 1416 CD ARG B 893 -15.214 5.583 -1.533 1.00 0.00 C ATOM 1417 NE ARG B 893 -14.080 5.490 -2.447 1.00 0.00 N ATOM 1418 CZ ARG B 893 -14.260 5.272 -3.745 1.00 0.00 C ATOM 1419 NH1 ARG B 893 -15.466 5.135 -4.223 1.00 0.00 N ATOM 1420 NH2 ARG B 893 -13.229 5.194 -4.542 1.00 0.00 N ATOM 0 H ARG B 893 -15.223 11.167 -1.013 1.00 0.00 H new ATOM 0 HA ARG B 893 -16.056 9.302 -2.976 1.00 0.00 H new ATOM 0 HB2 ARG B 893 -14.146 7.975 -2.029 1.00 0.00 H new ATOM 0 HB3 ARG B 893 -14.849 8.118 -0.431 1.00 0.00 H new ATOM 0 HG2 ARG B 893 -16.874 6.910 -1.145 1.00 0.00 H new ATOM 0 HG3 ARG B 893 -16.339 6.910 -2.814 1.00 0.00 H new ATOM 0 HD2 ARG B 893 -14.862 5.555 -0.502 1.00 0.00 H new ATOM 0 HD3 ARG B 893 -15.871 4.724 -1.669 1.00 0.00 H new ATOM 0 HE ARG B 893 -13.133 5.594 -2.083 1.00 0.00 H new ATOM 0 HH11 ARG B 893 -16.271 5.195 -3.600 1.00 0.00 H new ATOM 0 HH12 ARG B 893 -15.604 4.968 -5.220 1.00 0.00 H new ATOM 0 HH21 ARG B 893 -12.286 5.300 -4.168 1.00 0.00 H new ATOM 0 HH22 ARG B 893 -13.366 5.027 -5.539 1.00 0.00 H new ATOM 1434 N ALA B 894 -18.194 9.080 -1.661 1.00 0.00 N ATOM 1435 CA ALA B 894 -19.478 9.191 -0.975 1.00 0.00 C ATOM 1436 C ALA B 894 -20.480 8.194 -1.547 1.00 0.00 C ATOM 1437 O ALA B 894 -21.004 7.343 -0.828 1.00 0.00 O ATOM 1438 CB ALA B 894 -20.028 10.611 -1.122 1.00 0.00 C ATOM 0 H ALA B 894 -18.238 8.634 -2.577 1.00 0.00 H new ATOM 0 HA ALA B 894 -19.324 8.968 0.081 1.00 0.00 H new ATOM 0 HB1 ALA B 894 -20.986 10.685 -0.607 1.00 0.00 H new ATOM 0 HB2 ALA B 894 -19.325 11.320 -0.685 1.00 0.00 H new ATOM 0 HB3 ALA B 894 -20.165 10.841 -2.179 1.00 0.00 H new ATOM 1444 N GLU B 895 -20.742 8.304 -2.846 1.00 0.00 N ATOM 1445 CA GLU B 895 -21.684 7.407 -3.504 1.00 0.00 C ATOM 1446 C GLU B 895 -23.055 7.489 -2.840 1.00 0.00 C ATOM 1447 O GLU B 895 -23.412 6.639 -2.024 1.00 0.00 O ATOM 1448 CB GLU B 895 -21.169 5.968 -3.437 1.00 0.00 C ATOM 1449 CG GLU B 895 -19.717 5.922 -3.919 1.00 0.00 C ATOM 1450 CD GLU B 895 -19.636 6.367 -5.375 1.00 0.00 C ATOM 1451 OE1 GLU B 895 -20.208 5.691 -6.213 1.00 0.00 O ATOM 1452 OE2 GLU B 895 -19.003 7.380 -5.629 1.00 0.00 O ATOM 0 H GLU B 895 -20.318 9.000 -3.459 1.00 0.00 H new ATOM 0 HA GLU B 895 -21.778 7.711 -4.546 1.00 0.00 H new ATOM 0 HB2 GLU B 895 -21.236 5.594 -2.415 1.00 0.00 H new ATOM 0 HB3 GLU B 895 -21.789 5.319 -4.056 1.00 0.00 H new ATOM 0 HG2 GLU B 895 -19.098 6.569 -3.297 1.00 0.00 H new ATOM 0 HG3 GLU B 895 -19.323 4.911 -3.817 1.00 0.00 H new ATOM 1459 N ARG B 896 -23.820 8.515 -3.198 1.00 0.00 N ATOM 1460 CA ARG B 896 -25.150 8.698 -2.630 1.00 0.00 C ATOM 1461 C ARG B 896 -26.080 7.573 -3.069 1.00 0.00 C ATOM 1462 O ARG B 896 -25.643 6.596 -3.678 1.00 0.00 O ATOM 1463 CB ARG B 896 -25.727 10.043 -3.076 1.00 0.00 C ATOM 1464 CG ARG B 896 -25.739 10.113 -4.605 1.00 0.00 C ATOM 1465 CD ARG B 896 -26.173 11.510 -5.049 1.00 0.00 C ATOM 1466 NE ARG B 896 -26.193 11.593 -6.505 1.00 0.00 N ATOM 1467 CZ ARG B 896 -26.611 12.693 -7.125 1.00 0.00 C ATOM 1468 NH1 ARG B 896 -27.012 13.720 -6.430 1.00 0.00 N ATOM 1469 NH2 ARG B 896 -26.619 12.742 -8.430 1.00 0.00 N ATOM 0 H ARG B 896 -23.544 9.228 -3.874 1.00 0.00 H new ATOM 0 HA ARG B 896 -25.066 8.681 -1.543 1.00 0.00 H new ATOM 0 HB2 ARG B 896 -26.739 10.163 -2.688 1.00 0.00 H new ATOM 0 HB3 ARG B 896 -25.130 10.859 -2.669 1.00 0.00 H new ATOM 0 HG2 ARG B 896 -24.748 9.887 -4.998 1.00 0.00 H new ATOM 0 HG3 ARG B 896 -26.420 9.364 -5.008 1.00 0.00 H new ATOM 0 HD2 ARG B 896 -27.163 11.735 -4.651 1.00 0.00 H new ATOM 0 HD3 ARG B 896 -25.490 12.257 -4.644 1.00 0.00 H new ATOM 0 HE ARG B 896 -25.881 10.794 -7.057 1.00 0.00 H new ATOM 0 HH11 ARG B 896 -27.005 13.680 -5.411 1.00 0.00 H new ATOM 0 HH12 ARG B 896 -27.333 14.564 -6.905 1.00 0.00 H new ATOM 0 HH21 ARG B 896 -26.305 11.937 -8.972 1.00 0.00 H new ATOM 0 HH22 ARG B 896 -26.939 13.585 -8.907 1.00 0.00 H new ATOM 1483 N ALA B 897 -27.365 7.717 -2.757 1.00 0.00 N ATOM 1484 CA ALA B 897 -28.347 6.704 -3.125 1.00 0.00 C ATOM 1485 C ALA B 897 -27.919 5.332 -2.616 1.00 0.00 C ATOM 1486 O ALA B 897 -26.781 5.145 -2.187 1.00 0.00 O ATOM 1487 CB ALA B 897 -28.508 6.660 -4.644 1.00 0.00 C ATOM 0 H ALA B 897 -27.747 8.518 -2.255 1.00 0.00 H new ATOM 0 HA ALA B 897 -29.301 6.967 -2.667 1.00 0.00 H new ATOM 0 HB1 ALA B 897 -29.243 5.901 -4.910 1.00 0.00 H new ATOM 0 HB2 ALA B 897 -28.845 7.633 -5.003 1.00 0.00 H new ATOM 0 HB3 ALA B 897 -27.551 6.415 -5.104 1.00 0.00 H new ATOM 1493 N ARG B 898 -28.839 4.375 -2.667 1.00 0.00 N ATOM 1494 CA ARG B 898 -28.545 3.020 -2.209 1.00 0.00 C ATOM 1495 C ARG B 898 -27.556 2.340 -3.150 1.00 0.00 C ATOM 1496 O ARG B 898 -27.951 1.719 -4.138 1.00 0.00 O ATOM 1497 CB ARG B 898 -29.836 2.201 -2.138 1.00 0.00 C ATOM 1498 CG ARG B 898 -30.952 3.053 -1.528 1.00 0.00 C ATOM 1499 CD ARG B 898 -30.498 3.605 -0.174 1.00 0.00 C ATOM 1500 NE ARG B 898 -31.647 4.083 0.587 1.00 0.00 N ATOM 1501 CZ ARG B 898 -32.455 3.235 1.215 1.00 0.00 C ATOM 1502 NH1 ARG B 898 -32.228 1.952 1.159 1.00 0.00 N ATOM 1503 NH2 ARG B 898 -33.478 3.688 1.890 1.00 0.00 N ATOM 0 H ARG B 898 -29.787 4.509 -3.018 1.00 0.00 H new ATOM 0 HA ARG B 898 -28.100 3.080 -1.216 1.00 0.00 H new ATOM 0 HB2 ARG B 898 -30.123 1.868 -3.136 1.00 0.00 H new ATOM 0 HB3 ARG B 898 -29.678 1.306 -1.537 1.00 0.00 H new ATOM 0 HG2 ARG B 898 -31.205 3.873 -2.200 1.00 0.00 H new ATOM 0 HG3 ARG B 898 -31.854 2.453 -1.403 1.00 0.00 H new ATOM 0 HD2 ARG B 898 -29.978 2.829 0.388 1.00 0.00 H new ATOM 0 HD3 ARG B 898 -29.788 4.419 -0.324 1.00 0.00 H new ATOM 0 HE ARG B 898 -31.833 5.085 0.638 1.00 0.00 H new ATOM 0 HH11 ARG B 898 -31.429 1.598 0.633 1.00 0.00 H new ATOM 0 HH12 ARG B 898 -32.849 1.303 1.642 1.00 0.00 H new ATOM 0 HH21 ARG B 898 -33.656 4.691 1.934 1.00 0.00 H new ATOM 0 HH22 ARG B 898 -34.099 3.038 2.372 1.00 0.00 H new ATOM 1517 N SER B 899 -26.271 2.462 -2.837 1.00 0.00 N ATOM 1518 CA SER B 899 -25.232 1.855 -3.662 1.00 0.00 C ATOM 1519 C SER B 899 -23.935 1.715 -2.872 1.00 0.00 C ATOM 1520 O SER B 899 -22.987 2.474 -3.076 1.00 0.00 O ATOM 1521 CB SER B 899 -24.984 2.711 -4.904 1.00 0.00 C ATOM 1522 OG SER B 899 -23.808 2.257 -5.561 1.00 0.00 O ATOM 0 H SER B 899 -25.925 2.972 -2.024 1.00 0.00 H new ATOM 0 HA SER B 899 -25.569 0.864 -3.966 1.00 0.00 H new ATOM 0 HB2 SER B 899 -25.838 2.649 -5.579 1.00 0.00 H new ATOM 0 HB3 SER B 899 -24.875 3.758 -4.622 1.00 0.00 H new ATOM 0 HG SER B 899 -23.035 2.381 -4.971 1.00 0.00 H new ATOM 1528 N THR B 900 -23.899 0.740 -1.970 1.00 0.00 N ATOM 1529 CA THR B 900 -22.712 0.509 -1.155 1.00 0.00 C ATOM 1530 C THR B 900 -22.348 1.766 -0.372 1.00 0.00 C ATOM 1531 O THR B 900 -22.699 1.837 0.795 1.00 0.00 O ATOM 1532 CB THR B 900 -21.536 0.102 -2.046 1.00 0.00 C ATOM 1533 OG1 THR B 900 -21.949 -0.933 -2.926 1.00 0.00 O ATOM 1534 CG2 THR B 900 -20.381 -0.395 -1.175 1.00 0.00 C ATOM 1535 OXT THR B 900 -21.723 2.641 -0.949 1.00 0.00 O ATOM 0 H THR B 900 -24.672 0.101 -1.785 1.00 0.00 H new ATOM 0 HA THR B 900 -22.929 -0.295 -0.451 1.00 0.00 H new ATOM 0 HB THR B 900 -21.204 0.962 -2.627 1.00 0.00 H new ATOM 0 HG1 THR B 900 -21.198 -1.194 -3.499 1.00 0.00 H new ATOM 0 HG21 THR B 900 -19.544 -0.685 -1.811 1.00 0.00 H new ATOM 0 HG22 THR B 900 -20.066 0.401 -0.500 1.00 0.00 H new ATOM 0 HG23 THR B 900 -20.709 -1.256 -0.592 1.00 0.00 H new TER 1543 THR B 900