USER MOD reduce.3.24.130724 H: found=0, std=0, add=1048, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1049 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 603 ASN : amide:sc= 0.019 K(o=0.062,f=-0.97) USER MOD Set 1.2: A 604 ASN : amide:sc= 0.0426 X(o=0.062,f=-0.022) USER MOD Set 2.1: A 504 THR OG1 : rot -113:sc= -0.904 USER MOD Set 2.2: A 532 ASN : amide:sc= -0.0175 K(o=-0.92,f=-2.4) USER MOD Set 3.1: A 523 GLN : amide:sc= 0.437 X(o=0.4,f=-0.094) USER MOD Set 3.2: A 528 THR OG1 : rot 180:sc= -0.0392 USER MOD Single : A 502 MET CE :methyl 177:sc= -0.374 (180deg=-0.386) USER MOD Single : A 506 MET CE :methyl -113:sc= -0.869 (180deg=-4.27!) USER MOD Single : A 510 LYS NZ :NH3+ -162:sc= 1.23 (180deg=1.14) USER MOD Single : A 513 ASN : amide:sc= -0.0271 K(o=-0.027,f=-4.7!) USER MOD Single : A 516 SER OG : rot 11:sc= -0.374 USER MOD Single : A 517 MET CE :methyl -165:sc= -1.05 (180deg=-1.69) USER MOD Single : A 524 SER OG : rot 180:sc= 0 USER MOD Single : A 530 THR OG1 : rot 180:sc= 0 USER MOD Single : A 537 TYR OH : rot 180:sc= 0 USER MOD Single : A 538 THR OG1 : rot 106:sc= 1.57 USER MOD Single : A 543 THR OG1 : rot -174:sc= -1.59 USER MOD Single : A 544 ASN : amide:sc= -2.45 X(o=-2.4,f=-2.2!) USER MOD Single : A 556 SER OG : rot 180:sc= 0 USER MOD Single : A 563 LYS NZ :NH3+ -142:sc= 1.2 (180deg=0.138) USER MOD Single : A 567 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 570 LYS NZ :NH3+ 172:sc= -0.0589 (180deg=-0.078) USER MOD Single : A 571 TYR OH : rot 180:sc= 0 USER MOD Single : A 572 HIS :FLIP no HD1:sc= -8.97! C(o=-9.6!,f=-9!) USER MOD Single : A 580 SER OG : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 591 SER OG : rot -61:sc= 0.299 USER MOD Single : A 593 GLN : amide:sc= 0.345 K(o=0.34,f=-0.79) USER MOD Single : A 596 LYS NZ :NH3+ -166:sc= -0.102 (180deg=-0.429) USER MOD Single : A 600 SER OG : rot 37:sc= 1.19 USER MOD Single : A 602 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 607 SER OG : rot 180:sc= 0 USER MOD Single : A 609 ASN :FLIP amide:sc= -7.15! C(o=-13!,f=-7.2!) USER MOD Single : A 610 LYS NZ :NH3+ 152:sc= -0.427 (180deg=-0.886!) USER MOD Single : A 619 MET CE :methyl 137:sc= -0.3 (180deg=-1.27) USER MOD Single : A 621 THR OG1 : rot -82:sc= 0.255 USER MOD Single : A 622 ASN : amide:sc= -0.831! C(o=-0.83!,f=-17!) USER MOD Single : A 626 HIS : no HD1:sc= -0.308 K(o=-0.31,f=-5.7!) USER MOD Single : A 629 THR OG1 : rot 180:sc= 0 USER MOD Single : A 630 ASN : amide:sc= 1.07 K(o=1.1,f=-3.7!) USER MOD Single : A 633 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 500 3.285 -23.178 10.877 1.00 0.00 N ATOM 2 CA ALA A 500 3.215 -22.022 11.796 1.00 0.00 C ATOM 3 C ALA A 500 2.176 -21.018 11.315 1.00 0.00 C ATOM 4 O ALA A 500 1.331 -20.568 12.088 1.00 0.00 O ATOM 5 CB ALA A 500 4.580 -21.359 11.916 1.00 0.00 C ATOM 0 HA ALA A 500 2.915 -22.381 12.781 1.00 0.00 H new ATOM 0 HB1 ALA A 500 4.513 -20.509 12.596 1.00 0.00 H new ATOM 0 HB2 ALA A 500 5.301 -22.078 12.304 1.00 0.00 H new ATOM 0 HB3 ALA A 500 4.904 -21.014 10.934 1.00 0.00 H new ATOM 13 N GLY A 501 2.241 -20.660 10.037 1.00 0.00 N ATOM 14 CA GLY A 501 1.270 -19.745 9.478 1.00 0.00 C ATOM 15 C GLY A 501 1.906 -18.750 8.539 1.00 0.00 C ATOM 16 O GLY A 501 2.792 -19.117 7.765 1.00 0.00 O ATOM 0 H GLY A 501 2.949 -20.988 9.381 1.00 0.00 H new ATOM 0 HA2 GLY A 501 0.505 -20.309 8.944 1.00 0.00 H new ATOM 0 HA3 GLY A 501 0.768 -19.212 10.285 1.00 0.00 H new ATOM 20 N MET A 502 1.458 -17.498 8.629 1.00 0.00 N ATOM 21 CA MET A 502 1.956 -16.405 7.792 1.00 0.00 C ATOM 22 C MET A 502 1.511 -16.597 6.345 1.00 0.00 C ATOM 23 O MET A 502 2.044 -17.434 5.613 1.00 0.00 O ATOM 24 CB MET A 502 3.484 -16.286 7.884 1.00 0.00 C ATOM 25 CG MET A 502 3.997 -14.853 7.890 1.00 0.00 C ATOM 26 SD MET A 502 3.581 -13.935 6.395 1.00 0.00 S ATOM 27 CE MET A 502 4.272 -12.332 6.796 1.00 0.00 C ATOM 0 H MET A 502 0.735 -17.211 9.289 1.00 0.00 H new ATOM 0 HA MET A 502 1.530 -15.473 8.163 1.00 0.00 H new ATOM 0 HB2 MET A 502 3.822 -16.785 8.792 1.00 0.00 H new ATOM 0 HB3 MET A 502 3.930 -16.817 7.043 1.00 0.00 H new ATOM 0 HG2 MET A 502 3.585 -14.331 8.754 1.00 0.00 H new ATOM 0 HG3 MET A 502 5.080 -14.864 8.011 1.00 0.00 H new ATOM 0 HE1 MET A 502 4.146 -11.659 5.948 1.00 0.00 H new ATOM 0 HE2 MET A 502 3.758 -11.921 7.665 1.00 0.00 H new ATOM 0 HE3 MET A 502 5.334 -12.439 7.019 1.00 0.00 H new ATOM 37 N GLY A 503 0.507 -15.835 5.953 1.00 0.00 N ATOM 38 CA GLY A 503 -0.039 -15.952 4.621 1.00 0.00 C ATOM 39 C GLY A 503 0.652 -15.060 3.623 1.00 0.00 C ATOM 40 O GLY A 503 1.867 -14.874 3.654 1.00 0.00 O ATOM 0 H GLY A 503 0.057 -15.132 6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 503 0.041 -16.988 4.291 1.00 0.00 H new ATOM 0 HA3 GLY A 503 -1.101 -15.706 4.646 1.00 0.00 H new ATOM 44 N THR A 504 -0.141 -14.510 2.732 1.00 0.00 N ATOM 45 CA THR A 504 0.340 -13.580 1.737 1.00 0.00 C ATOM 46 C THR A 504 0.236 -12.161 2.270 1.00 0.00 C ATOM 47 O THR A 504 -0.021 -11.962 3.457 1.00 0.00 O ATOM 48 CB THR A 504 -0.492 -13.682 0.459 1.00 0.00 C ATOM 49 OG1 THR A 504 -1.877 -13.472 0.784 1.00 0.00 O ATOM 50 CG2 THR A 504 -0.307 -15.041 -0.205 1.00 0.00 C ATOM 0 H THR A 504 -1.142 -14.696 2.677 1.00 0.00 H new ATOM 0 HA THR A 504 1.378 -13.825 1.514 1.00 0.00 H new ATOM 0 HB THR A 504 -0.158 -12.919 -0.245 1.00 0.00 H new ATOM 0 HG1 THR A 504 -2.376 -14.303 0.641 1.00 0.00 H new ATOM 0 HG21 THR A 504 -0.910 -15.088 -1.112 1.00 0.00 H new ATOM 0 HG22 THR A 504 0.743 -15.182 -0.460 1.00 0.00 H new ATOM 0 HG23 THR A 504 -0.622 -15.827 0.481 1.00 0.00 H new ATOM 58 N VAL A 505 0.454 -11.184 1.399 1.00 0.00 N ATOM 59 CA VAL A 505 0.239 -9.781 1.738 1.00 0.00 C ATOM 60 C VAL A 505 -1.110 -9.595 2.427 1.00 0.00 C ATOM 61 O VAL A 505 -1.212 -8.904 3.433 1.00 0.00 O ATOM 62 CB VAL A 505 0.285 -8.880 0.487 1.00 0.00 C ATOM 63 CG1 VAL A 505 0.023 -7.429 0.856 1.00 0.00 C ATOM 64 CG2 VAL A 505 1.618 -9.007 -0.225 1.00 0.00 C ATOM 0 H VAL A 505 0.782 -11.338 0.446 1.00 0.00 H new ATOM 0 HA VAL A 505 1.044 -9.490 2.412 1.00 0.00 H new ATOM 0 HB VAL A 505 -0.501 -9.213 -0.191 1.00 0.00 H new ATOM 0 HG11 VAL A 505 0.060 -6.813 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 505 -0.962 -7.342 1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 505 0.782 -7.090 1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 505 1.624 -8.362 -1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 505 2.421 -8.709 0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 505 1.768 -10.041 -0.534 1.00 0.00 H new ATOM 74 N MET A 506 -2.135 -10.250 1.898 1.00 0.00 N ATOM 75 CA MET A 506 -3.468 -10.144 2.445 1.00 0.00 C ATOM 76 C MET A 506 -3.514 -10.680 3.877 1.00 0.00 C ATOM 77 O MET A 506 -4.141 -10.077 4.745 1.00 0.00 O ATOM 78 CB MET A 506 -4.449 -10.886 1.535 1.00 0.00 C ATOM 79 CG MET A 506 -5.844 -11.015 2.106 1.00 0.00 C ATOM 80 SD MET A 506 -6.563 -9.438 2.605 1.00 0.00 S ATOM 81 CE MET A 506 -6.619 -8.567 1.042 1.00 0.00 C ATOM 0 H MET A 506 -2.061 -10.862 1.086 1.00 0.00 H new ATOM 0 HA MET A 506 -3.758 -9.094 2.488 1.00 0.00 H new ATOM 0 HB2 MET A 506 -4.506 -10.366 0.579 1.00 0.00 H new ATOM 0 HB3 MET A 506 -4.057 -11.883 1.332 1.00 0.00 H new ATOM 0 HG2 MET A 506 -6.491 -11.482 1.363 1.00 0.00 H new ATOM 0 HG3 MET A 506 -5.816 -11.682 2.968 1.00 0.00 H new ATOM 0 HE1 MET A 506 -5.925 -7.727 1.068 1.00 0.00 H new ATOM 0 HE2 MET A 506 -6.337 -9.246 0.237 1.00 0.00 H new ATOM 0 HE3 MET A 506 -7.629 -8.197 0.868 1.00 0.00 H new ATOM 91 N ASP A 507 -2.828 -11.796 4.139 1.00 0.00 N ATOM 92 CA ASP A 507 -2.806 -12.358 5.484 1.00 0.00 C ATOM 93 C ASP A 507 -2.041 -11.448 6.433 1.00 0.00 C ATOM 94 O ASP A 507 -2.351 -11.383 7.627 1.00 0.00 O ATOM 95 CB ASP A 507 -2.171 -13.735 5.473 1.00 0.00 C ATOM 96 CG ASP A 507 -2.531 -14.555 6.698 1.00 0.00 C ATOM 97 OD1 ASP A 507 -3.626 -15.154 6.712 1.00 0.00 O1- ATOM 98 OD2 ASP A 507 -1.718 -14.614 7.644 1.00 0.00 O ATOM 0 H ASP A 507 -2.290 -12.318 3.447 1.00 0.00 H new ATOM 0 HA ASP A 507 -3.836 -12.444 5.831 1.00 0.00 H new ATOM 0 HB2 ASP A 507 -2.487 -14.269 4.577 1.00 0.00 H new ATOM 0 HB3 ASP A 507 -1.087 -13.631 5.416 1.00 0.00 H new ATOM 103 N VAL A 508 -1.030 -10.760 5.897 1.00 0.00 N ATOM 104 CA VAL A 508 -0.298 -9.749 6.672 1.00 0.00 C ATOM 105 C VAL A 508 -1.270 -8.764 7.315 1.00 0.00 C ATOM 106 O VAL A 508 -1.341 -8.647 8.541 1.00 0.00 O ATOM 107 CB VAL A 508 0.721 -8.969 5.808 1.00 0.00 C ATOM 108 CG1 VAL A 508 1.432 -7.907 6.639 1.00 0.00 C ATOM 109 CG2 VAL A 508 1.731 -9.923 5.189 1.00 0.00 C ATOM 0 H VAL A 508 -0.700 -10.881 4.939 1.00 0.00 H new ATOM 0 HA VAL A 508 0.255 -10.285 7.443 1.00 0.00 H new ATOM 0 HB VAL A 508 0.178 -8.469 5.006 1.00 0.00 H new ATOM 0 HG11 VAL A 508 2.144 -7.371 6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 508 0.699 -7.206 7.037 1.00 0.00 H new ATOM 0 HG13 VAL A 508 1.962 -8.384 7.463 1.00 0.00 H new ATOM 0 HG21 VAL A 508 2.441 -9.359 4.584 1.00 0.00 H new ATOM 0 HG22 VAL A 508 2.266 -10.450 5.979 1.00 0.00 H new ATOM 0 HG23 VAL A 508 1.211 -10.645 4.559 1.00 0.00 H new ATOM 119 N LEU A 509 -2.022 -8.085 6.469 1.00 0.00 N ATOM 120 CA LEU A 509 -3.031 -7.131 6.869 1.00 0.00 C ATOM 121 C LEU A 509 -4.081 -7.753 7.785 1.00 0.00 C ATOM 122 O LEU A 509 -4.548 -7.109 8.720 1.00 0.00 O ATOM 123 CB LEU A 509 -3.683 -6.588 5.601 1.00 0.00 C ATOM 124 CG LEU A 509 -2.813 -5.639 4.764 1.00 0.00 C ATOM 125 CD1 LEU A 509 -1.439 -6.202 4.447 1.00 0.00 C ATOM 126 CD2 LEU A 509 -3.529 -5.287 3.475 1.00 0.00 C ATOM 0 H LEU A 509 -1.943 -8.187 5.457 1.00 0.00 H new ATOM 0 HA LEU A 509 -2.562 -6.330 7.440 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -3.977 -7.431 4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -4.597 -6.064 5.879 1.00 0.00 H new ATOM 0 HG LEU A 509 -2.655 -4.747 5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -0.878 -5.480 3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -0.905 -6.402 5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -1.547 -7.129 3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -2.907 -4.614 2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -3.720 -6.196 2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -4.475 -4.798 3.706 1.00 0.00 H new ATOM 138 N LYS A 510 -4.446 -9.005 7.513 1.00 0.00 N ATOM 139 CA LYS A 510 -5.429 -9.718 8.331 1.00 0.00 C ATOM 140 C LYS A 510 -5.040 -9.728 9.807 1.00 0.00 C ATOM 141 O LYS A 510 -5.895 -9.597 10.681 1.00 0.00 O ATOM 142 CB LYS A 510 -5.569 -11.161 7.862 1.00 0.00 C ATOM 143 CG LYS A 510 -6.327 -11.344 6.560 1.00 0.00 C ATOM 144 CD LYS A 510 -6.246 -12.791 6.102 1.00 0.00 C ATOM 145 CE LYS A 510 -6.700 -13.741 7.202 1.00 0.00 C ATOM 146 NZ LYS A 510 -6.270 -15.141 6.954 1.00 0.00 N1+ ATOM 0 H LYS A 510 -4.076 -9.548 6.732 1.00 0.00 H new ATOM 0 HA LYS A 510 -6.375 -9.189 8.217 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -4.573 -11.588 7.747 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -6.073 -11.733 8.641 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -7.370 -11.056 6.695 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -5.911 -10.689 5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -6.867 -12.931 5.217 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -5.222 -13.027 5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -6.298 -13.404 8.158 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -7.786 -13.706 7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -6.839 -15.787 7.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -6.404 -15.373 5.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -5.265 -15.245 7.202 1.00 0.00 H new ATOM 160 N GLY A 511 -3.755 -9.904 10.079 1.00 0.00 N ATOM 161 CA GLY A 511 -3.310 -10.029 11.449 1.00 0.00 C ATOM 162 C GLY A 511 -2.858 -8.717 12.049 1.00 0.00 C ATOM 163 O GLY A 511 -2.762 -8.584 13.273 1.00 0.00 O ATOM 0 H GLY A 511 -3.016 -9.962 9.378 1.00 0.00 H new ATOM 0 HA2 GLY A 511 -4.121 -10.437 12.052 1.00 0.00 H new ATOM 0 HA3 GLY A 511 -2.489 -10.744 11.494 1.00 0.00 H new ATOM 167 N ASP A 512 -2.595 -7.747 11.195 1.00 0.00 N ATOM 168 CA ASP A 512 -2.063 -6.466 11.636 1.00 0.00 C ATOM 169 C ASP A 512 -3.185 -5.524 12.067 1.00 0.00 C ATOM 170 O ASP A 512 -4.191 -5.371 11.370 1.00 0.00 O ATOM 171 CB ASP A 512 -1.231 -5.821 10.528 1.00 0.00 C ATOM 172 CG ASP A 512 -0.569 -4.546 10.997 1.00 0.00 C ATOM 173 OD1 ASP A 512 0.555 -4.620 11.530 1.00 0.00 O ATOM 174 OD2 ASP A 512 -1.183 -3.475 10.851 1.00 0.00 O1- ATOM 0 H ASP A 512 -2.741 -7.819 10.188 1.00 0.00 H new ATOM 0 HA ASP A 512 -1.421 -6.649 12.497 1.00 0.00 H new ATOM 0 HB2 ASP A 512 -0.469 -6.523 10.189 1.00 0.00 H new ATOM 0 HB3 ASP A 512 -1.870 -5.606 9.671 1.00 0.00 H new ATOM 179 N ASN A 513 -3.006 -4.900 13.225 1.00 0.00 N ATOM 180 CA ASN A 513 -4.024 -4.020 13.794 1.00 0.00 C ATOM 181 C ASN A 513 -4.058 -2.668 13.091 1.00 0.00 C ATOM 182 O ASN A 513 -5.093 -2.000 13.060 1.00 0.00 O ATOM 183 CB ASN A 513 -3.795 -3.826 15.300 1.00 0.00 C ATOM 184 CG ASN A 513 -2.476 -3.140 15.631 1.00 0.00 C ATOM 185 OD1 ASN A 513 -1.483 -3.289 14.919 1.00 0.00 O ATOM 186 ND2 ASN A 513 -2.455 -2.390 16.722 1.00 0.00 N ATOM 0 H ASN A 513 -2.162 -4.987 13.792 1.00 0.00 H new ATOM 0 HA ASN A 513 -4.990 -4.502 13.642 1.00 0.00 H new ATOM 0 HB2 ASN A 513 -4.615 -3.237 15.711 1.00 0.00 H new ATOM 0 HB3 ASN A 513 -3.823 -4.798 15.792 1.00 0.00 H new ATOM 0 HD21 ASN A 513 -1.596 -1.913 16.996 1.00 0.00 H new ATOM 0 HD22 ASN A 513 -3.298 -2.289 17.288 1.00 0.00 H new ATOM 193 N ARG A 514 -2.939 -2.275 12.505 1.00 0.00 N ATOM 194 CA ARG A 514 -2.838 -0.982 11.850 1.00 0.00 C ATOM 195 C ARG A 514 -3.444 -1.046 10.458 1.00 0.00 C ATOM 196 O ARG A 514 -3.815 -0.024 9.886 1.00 0.00 O ATOM 197 CB ARG A 514 -1.376 -0.540 11.751 1.00 0.00 C ATOM 198 CG ARG A 514 -0.663 -0.447 13.089 1.00 0.00 C ATOM 199 CD ARG A 514 -1.347 0.533 14.023 1.00 0.00 C ATOM 200 NE ARG A 514 -0.558 0.773 15.226 1.00 0.00 N ATOM 201 CZ ARG A 514 -0.913 1.618 16.186 1.00 0.00 C ATOM 202 NH1 ARG A 514 -2.077 2.253 16.126 1.00 0.00 N1+ ATOM 203 NH2 ARG A 514 -0.107 1.820 17.216 1.00 0.00 N ATOM 0 H ARG A 514 -2.087 -2.834 12.470 1.00 0.00 H new ATOM 0 HA ARG A 514 -3.388 -0.256 12.448 1.00 0.00 H new ATOM 0 HB2 ARG A 514 -0.838 -1.241 11.113 1.00 0.00 H new ATOM 0 HB3 ARG A 514 -1.334 0.433 11.261 1.00 0.00 H new ATOM 0 HG2 ARG A 514 -0.633 -1.432 13.554 1.00 0.00 H new ATOM 0 HG3 ARG A 514 0.370 -0.138 12.930 1.00 0.00 H new ATOM 0 HD2 ARG A 514 -1.513 1.476 13.503 1.00 0.00 H new ATOM 0 HD3 ARG A 514 -2.327 0.146 14.302 1.00 0.00 H new ATOM 0 HE ARG A 514 0.318 0.262 15.336 1.00 0.00 H new ATOM 0 HH11 ARG A 514 -2.705 2.093 15.339 1.00 0.00 H new ATOM 0 HH12 ARG A 514 -2.343 2.901 16.867 1.00 0.00 H new ATOM 0 HH21 ARG A 514 0.784 1.327 17.271 1.00 0.00 H new ATOM 0 HH22 ARG A 514 -0.377 2.469 17.955 1.00 0.00 H new ATOM 217 N PHE A 515 -3.527 -2.256 9.918 1.00 0.00 N ATOM 218 CA PHE A 515 -4.076 -2.472 8.595 1.00 0.00 C ATOM 219 C PHE A 515 -5.429 -3.177 8.661 1.00 0.00 C ATOM 220 O PHE A 515 -5.939 -3.641 7.647 1.00 0.00 O ATOM 221 CB PHE A 515 -3.103 -3.311 7.774 1.00 0.00 C ATOM 222 CG PHE A 515 -1.738 -2.699 7.641 1.00 0.00 C ATOM 223 CD1 PHE A 515 -1.588 -1.327 7.505 1.00 0.00 C ATOM 224 CD2 PHE A 515 -0.604 -3.494 7.666 1.00 0.00 C ATOM 225 CE1 PHE A 515 -0.338 -0.763 7.392 1.00 0.00 C ATOM 226 CE2 PHE A 515 0.652 -2.932 7.552 1.00 0.00 C ATOM 227 CZ PHE A 515 0.785 -1.564 7.415 1.00 0.00 C ATOM 0 H PHE A 515 -3.216 -3.107 10.386 1.00 0.00 H new ATOM 0 HA PHE A 515 -4.224 -1.500 8.124 1.00 0.00 H new ATOM 0 HB2 PHE A 515 -3.007 -4.294 8.235 1.00 0.00 H new ATOM 0 HB3 PHE A 515 -3.520 -3.465 6.779 1.00 0.00 H new ATOM 0 HD1 PHE A 515 -2.463 -0.694 7.488 1.00 0.00 H new ATOM 0 HD2 PHE A 515 -0.703 -4.564 7.776 1.00 0.00 H new ATOM 0 HE1 PHE A 515 -0.236 0.307 7.285 1.00 0.00 H new ATOM 0 HE2 PHE A 515 1.529 -3.561 7.570 1.00 0.00 H new ATOM 0 HZ PHE A 515 1.766 -1.122 7.326 1.00 0.00 H new ATOM 237 N SER A 516 -6.019 -3.234 9.850 1.00 0.00 N ATOM 238 CA SER A 516 -7.269 -3.966 10.046 1.00 0.00 C ATOM 239 C SER A 516 -8.402 -3.469 9.134 1.00 0.00 C ATOM 240 O SER A 516 -9.051 -4.272 8.466 1.00 0.00 O ATOM 241 CB SER A 516 -7.696 -3.918 11.515 1.00 0.00 C ATOM 242 OG SER A 516 -6.764 -4.602 12.338 1.00 0.00 O ATOM 0 H SER A 516 -5.655 -2.785 10.690 1.00 0.00 H new ATOM 0 HA SER A 516 -7.074 -5.001 9.765 1.00 0.00 H new ATOM 0 HB2 SER A 516 -7.780 -2.881 11.839 1.00 0.00 H new ATOM 0 HB3 SER A 516 -8.683 -4.368 11.626 1.00 0.00 H new ATOM 0 HG SER A 516 -5.958 -4.807 11.819 1.00 0.00 H new ATOM 248 N MET A 517 -8.646 -2.160 9.089 1.00 0.00 N ATOM 249 CA MET A 517 -9.710 -1.638 8.225 1.00 0.00 C ATOM 250 C MET A 517 -9.270 -1.660 6.760 1.00 0.00 C ATOM 251 O MET A 517 -10.098 -1.631 5.849 1.00 0.00 O ATOM 252 CB MET A 517 -10.099 -0.216 8.623 1.00 0.00 C ATOM 253 CG MET A 517 -11.462 0.205 8.092 1.00 0.00 C ATOM 254 SD MET A 517 -11.491 1.927 7.556 1.00 0.00 S ATOM 255 CE MET A 517 -10.406 1.833 6.133 1.00 0.00 C ATOM 0 H MET A 517 -8.138 -1.456 9.624 1.00 0.00 H new ATOM 0 HA MET A 517 -10.581 -2.282 8.349 1.00 0.00 H new ATOM 0 HB2 MET A 517 -10.100 -0.138 9.710 1.00 0.00 H new ATOM 0 HB3 MET A 517 -9.343 0.477 8.254 1.00 0.00 H new ATOM 0 HG2 MET A 517 -11.737 -0.437 7.255 1.00 0.00 H new ATOM 0 HG3 MET A 517 -12.213 0.056 8.868 1.00 0.00 H new ATOM 0 HE1 MET A 517 -10.100 2.838 5.842 1.00 0.00 H new ATOM 0 HE2 MET A 517 -9.524 1.245 6.386 1.00 0.00 H new ATOM 0 HE3 MET A 517 -10.933 1.359 5.305 1.00 0.00 H new ATOM 265 N LEU A 518 -7.959 -1.708 6.546 1.00 0.00 N ATOM 266 CA LEU A 518 -7.387 -1.798 5.203 1.00 0.00 C ATOM 267 C LEU A 518 -7.887 -3.053 4.517 1.00 0.00 C ATOM 268 O LEU A 518 -8.279 -3.026 3.352 1.00 0.00 O ATOM 269 CB LEU A 518 -5.863 -1.823 5.294 1.00 0.00 C ATOM 270 CG LEU A 518 -5.109 -1.965 3.967 1.00 0.00 C ATOM 271 CD1 LEU A 518 -5.447 -0.828 3.015 1.00 0.00 C ATOM 272 CD2 LEU A 518 -3.608 -2.017 4.220 1.00 0.00 C ATOM 0 H LEU A 518 -7.265 -1.686 7.293 1.00 0.00 H new ATOM 0 HA LEU A 518 -7.694 -0.929 4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 518 -5.533 -0.904 5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 518 -5.572 -2.648 5.944 1.00 0.00 H new ATOM 0 HG LEU A 518 -5.423 -2.897 3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 518 -4.896 -0.958 2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 518 -6.517 -0.833 2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 518 -5.170 0.123 3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 518 -3.082 -2.118 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 518 -3.290 -1.099 4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 518 -3.376 -2.871 4.856 1.00 0.00 H new ATOM 284 N VAL A 519 -7.881 -4.140 5.275 1.00 0.00 N ATOM 285 CA VAL A 519 -8.397 -5.426 4.807 1.00 0.00 C ATOM 286 C VAL A 519 -9.801 -5.261 4.247 1.00 0.00 C ATOM 287 O VAL A 519 -10.083 -5.665 3.124 1.00 0.00 O ATOM 288 CB VAL A 519 -8.454 -6.465 5.946 1.00 0.00 C ATOM 289 CG1 VAL A 519 -8.687 -7.866 5.402 1.00 0.00 C ATOM 290 CG2 VAL A 519 -7.191 -6.415 6.779 1.00 0.00 C ATOM 0 H VAL A 519 -7.520 -4.160 6.229 1.00 0.00 H new ATOM 0 HA VAL A 519 -7.715 -5.779 4.033 1.00 0.00 H new ATOM 0 HB VAL A 519 -9.298 -6.213 6.588 1.00 0.00 H new ATOM 0 HG11 VAL A 519 -8.722 -8.576 6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 519 -9.632 -7.893 4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 519 -7.874 -8.134 4.728 1.00 0.00 H new ATOM 0 HG21 VAL A 519 -7.252 -7.155 7.577 1.00 0.00 H new ATOM 0 HG22 VAL A 519 -6.330 -6.632 6.147 1.00 0.00 H new ATOM 0 HG23 VAL A 519 -7.081 -5.422 7.214 1.00 0.00 H new ATOM 300 N ALA A 520 -10.667 -4.644 5.038 1.00 0.00 N ATOM 301 CA ALA A 520 -12.064 -4.444 4.655 1.00 0.00 C ATOM 302 C ALA A 520 -12.196 -3.566 3.406 1.00 0.00 C ATOM 303 O ALA A 520 -13.025 -3.841 2.540 1.00 0.00 O ATOM 304 CB ALA A 520 -12.835 -3.838 5.816 1.00 0.00 C ATOM 0 H ALA A 520 -10.428 -4.270 5.956 1.00 0.00 H new ATOM 0 HA ALA A 520 -12.486 -5.418 4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 520 -13.875 -3.691 5.525 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -12.789 -4.510 6.673 1.00 0.00 H new ATOM 0 HB3 ALA A 520 -12.394 -2.878 6.084 1.00 0.00 H new ATOM 310 N ALA A 521 -11.386 -2.513 3.312 1.00 0.00 N ATOM 311 CA ALA A 521 -11.398 -1.642 2.133 1.00 0.00 C ATOM 312 C ALA A 521 -10.992 -2.424 0.891 1.00 0.00 C ATOM 313 O ALA A 521 -11.646 -2.360 -0.148 1.00 0.00 O ATOM 314 CB ALA A 521 -10.474 -0.446 2.332 1.00 0.00 C ATOM 0 H ALA A 521 -10.716 -2.241 4.032 1.00 0.00 H new ATOM 0 HA ALA A 521 -12.413 -1.270 1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -10.500 0.185 1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -10.805 0.130 3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 521 -9.455 -0.797 2.498 1.00 0.00 H new ATOM 320 N ILE A 522 -9.912 -3.173 1.018 1.00 0.00 N ATOM 321 CA ILE A 522 -9.425 -4.030 -0.056 1.00 0.00 C ATOM 322 C ILE A 522 -10.452 -5.106 -0.392 1.00 0.00 C ATOM 323 O ILE A 522 -10.651 -5.465 -1.554 1.00 0.00 O ATOM 324 CB ILE A 522 -8.097 -4.698 0.348 1.00 0.00 C ATOM 325 CG1 ILE A 522 -7.027 -3.630 0.566 1.00 0.00 C ATOM 326 CG2 ILE A 522 -7.650 -5.702 -0.706 1.00 0.00 C ATOM 327 CD1 ILE A 522 -5.759 -4.160 1.179 1.00 0.00 C ATOM 0 H ILE A 522 -9.346 -3.207 1.866 1.00 0.00 H new ATOM 0 HA ILE A 522 -9.261 -3.407 -0.935 1.00 0.00 H new ATOM 0 HB ILE A 522 -8.249 -5.242 1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 522 -6.791 -3.165 -0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 522 -7.432 -2.849 1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 522 -6.710 -6.160 -0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 522 -8.410 -6.475 -0.818 1.00 0.00 H new ATOM 0 HG23 ILE A 522 -7.509 -5.191 -1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 522 -5.047 -3.345 1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 522 -5.981 -4.600 2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 522 -5.330 -4.920 0.527 1.00 0.00 H new ATOM 339 N GLN A 523 -11.104 -5.605 0.645 1.00 0.00 N ATOM 340 CA GLN A 523 -12.135 -6.603 0.519 1.00 0.00 C ATOM 341 C GLN A 523 -13.313 -6.062 -0.268 1.00 0.00 C ATOM 342 O GLN A 523 -13.809 -6.709 -1.189 1.00 0.00 O ATOM 343 CB GLN A 523 -12.579 -6.995 1.917 1.00 0.00 C ATOM 344 CG GLN A 523 -13.706 -7.987 1.948 1.00 0.00 C ATOM 345 CD GLN A 523 -13.367 -9.295 1.251 1.00 0.00 C ATOM 346 OE1 GLN A 523 -12.899 -10.248 1.877 1.00 0.00 O ATOM 347 NE2 GLN A 523 -13.579 -9.340 -0.059 1.00 0.00 N ATOM 0 H GLN A 523 -10.924 -5.320 1.608 1.00 0.00 H new ATOM 0 HA GLN A 523 -11.748 -7.470 -0.017 1.00 0.00 H new ATOM 0 HB2 GLN A 523 -11.727 -7.413 2.453 1.00 0.00 H new ATOM 0 HB3 GLN A 523 -12.885 -6.097 2.454 1.00 0.00 H new ATOM 0 HG2 GLN A 523 -13.973 -8.193 2.985 1.00 0.00 H new ATOM 0 HG3 GLN A 523 -14.583 -7.546 1.475 1.00 0.00 H new ATOM 0 HE21 GLN A 523 -13.968 -8.530 -0.541 1.00 0.00 H new ATOM 0 HE22 GLN A 523 -13.353 -10.185 -0.584 1.00 0.00 H new ATOM 356 N SER A 524 -13.760 -4.886 0.124 1.00 0.00 N ATOM 357 CA SER A 524 -14.845 -4.200 -0.561 1.00 0.00 C ATOM 358 C SER A 524 -14.456 -3.923 -2.014 1.00 0.00 C ATOM 359 O SER A 524 -15.301 -3.947 -2.912 1.00 0.00 O ATOM 360 CB SER A 524 -15.178 -2.895 0.170 1.00 0.00 C ATOM 361 OG SER A 524 -16.420 -2.360 -0.257 1.00 0.00 O ATOM 0 H SER A 524 -13.385 -4.377 0.924 1.00 0.00 H new ATOM 0 HA SER A 524 -15.731 -4.835 -0.559 1.00 0.00 H new ATOM 0 HB2 SER A 524 -15.210 -3.077 1.244 1.00 0.00 H new ATOM 0 HB3 SER A 524 -14.387 -2.166 -0.007 1.00 0.00 H new ATOM 0 HG SER A 524 -16.603 -1.529 0.230 1.00 0.00 H new ATOM 367 N ALA A 525 -13.167 -3.684 -2.237 1.00 0.00 N ATOM 368 CA ALA A 525 -12.650 -3.453 -3.576 1.00 0.00 C ATOM 369 C ALA A 525 -12.660 -4.739 -4.396 1.00 0.00 C ATOM 370 O ALA A 525 -12.657 -4.701 -5.627 1.00 0.00 O ATOM 371 CB ALA A 525 -11.247 -2.875 -3.504 1.00 0.00 C ATOM 0 H ALA A 525 -12.461 -3.646 -1.502 1.00 0.00 H new ATOM 0 HA ALA A 525 -13.300 -2.734 -4.075 1.00 0.00 H new ATOM 0 HB1 ALA A 525 -10.871 -2.706 -4.513 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -11.270 -1.929 -2.963 1.00 0.00 H new ATOM 0 HB3 ALA A 525 -10.592 -3.574 -2.984 1.00 0.00 H new ATOM 377 N GLY A 526 -12.670 -5.876 -3.708 1.00 0.00 N ATOM 378 CA GLY A 526 -12.742 -7.152 -4.386 1.00 0.00 C ATOM 379 C GLY A 526 -11.431 -7.567 -5.020 1.00 0.00 C ATOM 380 O GLY A 526 -11.417 -8.420 -5.905 1.00 0.00 O ATOM 0 H GLY A 526 -12.629 -5.934 -2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 526 -13.052 -7.917 -3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 526 -13.511 -7.103 -5.157 1.00 0.00 H new ATOM 384 N LEU A 527 -10.323 -6.979 -4.579 1.00 0.00 N ATOM 385 CA LEU A 527 -9.019 -7.343 -5.122 1.00 0.00 C ATOM 386 C LEU A 527 -8.227 -8.169 -4.112 1.00 0.00 C ATOM 387 O LEU A 527 -7.001 -8.268 -4.185 1.00 0.00 O ATOM 388 CB LEU A 527 -8.240 -6.098 -5.591 1.00 0.00 C ATOM 389 CG LEU A 527 -7.962 -5.008 -4.546 1.00 0.00 C ATOM 390 CD1 LEU A 527 -6.598 -5.208 -3.901 1.00 0.00 C ATOM 391 CD2 LEU A 527 -8.042 -3.627 -5.184 1.00 0.00 C ATOM 0 H LEU A 527 -10.301 -6.258 -3.857 1.00 0.00 H new ATOM 0 HA LEU A 527 -9.176 -7.966 -6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 527 -7.284 -6.430 -5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 527 -8.793 -5.644 -6.414 1.00 0.00 H new ATOM 0 HG LEU A 527 -8.723 -5.083 -3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 527 -6.425 -4.423 -3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 527 -6.567 -6.180 -3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 527 -5.823 -5.164 -4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 527 -7.843 -2.866 -4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 527 -7.302 -3.551 -5.981 1.00 0.00 H new ATOM 0 HD23 LEU A 527 -9.039 -3.475 -5.598 1.00 0.00 H new ATOM 403 N THR A 528 -8.954 -8.791 -3.185 1.00 0.00 N ATOM 404 CA THR A 528 -8.360 -9.699 -2.210 1.00 0.00 C ATOM 405 C THR A 528 -7.560 -10.796 -2.906 1.00 0.00 C ATOM 406 O THR A 528 -6.448 -11.129 -2.491 1.00 0.00 O ATOM 407 CB THR A 528 -9.447 -10.359 -1.342 1.00 0.00 C ATOM 408 OG1 THR A 528 -10.264 -9.352 -0.741 1.00 0.00 O ATOM 409 CG2 THR A 528 -8.825 -11.243 -0.265 1.00 0.00 C ATOM 0 H THR A 528 -9.963 -8.680 -3.090 1.00 0.00 H new ATOM 0 HA THR A 528 -7.697 -9.108 -1.579 1.00 0.00 H new ATOM 0 HB THR A 528 -10.064 -10.989 -1.982 1.00 0.00 H new ATOM 0 HG1 THR A 528 -10.955 -9.777 -0.191 1.00 0.00 H new ATOM 0 HG21 THR A 528 -9.615 -11.697 0.334 1.00 0.00 H new ATOM 0 HG22 THR A 528 -8.231 -12.026 -0.736 1.00 0.00 H new ATOM 0 HG23 THR A 528 -8.185 -10.638 0.377 1.00 0.00 H new ATOM 417 N GLU A 529 -8.137 -11.337 -3.974 1.00 0.00 N ATOM 418 CA GLU A 529 -7.516 -12.418 -4.733 1.00 0.00 C ATOM 419 C GLU A 529 -6.137 -12.019 -5.243 1.00 0.00 C ATOM 420 O GLU A 529 -5.247 -12.856 -5.331 1.00 0.00 O ATOM 421 CB GLU A 529 -8.404 -12.827 -5.910 1.00 0.00 C ATOM 422 CG GLU A 529 -8.763 -11.675 -6.834 1.00 0.00 C ATOM 423 CD GLU A 529 -9.392 -12.138 -8.127 1.00 0.00 C ATOM 424 OE1 GLU A 529 -10.569 -12.548 -8.107 1.00 0.00 O1- ATOM 425 OE2 GLU A 529 -8.712 -12.093 -9.175 1.00 0.00 O ATOM 0 H GLU A 529 -9.043 -11.041 -4.337 1.00 0.00 H new ATOM 0 HA GLU A 529 -7.400 -13.267 -4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 529 -7.894 -13.599 -6.487 1.00 0.00 H new ATOM 0 HB3 GLU A 529 -9.322 -13.271 -5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 529 -9.451 -11.004 -6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 529 -7.864 -11.100 -7.057 1.00 0.00 H new ATOM 432 N THR A 530 -5.964 -10.740 -5.564 1.00 0.00 N ATOM 433 CA THR A 530 -4.693 -10.241 -6.056 1.00 0.00 C ATOM 434 C THR A 530 -3.612 -10.393 -4.988 1.00 0.00 C ATOM 435 O THR A 530 -2.562 -10.984 -5.229 1.00 0.00 O ATOM 436 CB THR A 530 -4.807 -8.760 -6.461 1.00 0.00 C ATOM 437 OG1 THR A 530 -5.947 -8.579 -7.312 1.00 0.00 O ATOM 438 CG2 THR A 530 -3.555 -8.289 -7.185 1.00 0.00 C ATOM 0 H THR A 530 -6.694 -10.031 -5.490 1.00 0.00 H new ATOM 0 HA THR A 530 -4.419 -10.828 -6.933 1.00 0.00 H new ATOM 0 HB THR A 530 -4.922 -8.168 -5.553 1.00 0.00 H new ATOM 0 HG1 THR A 530 -6.018 -7.635 -7.567 1.00 0.00 H new ATOM 0 HG21 THR A 530 -3.666 -7.240 -7.458 1.00 0.00 H new ATOM 0 HG22 THR A 530 -2.691 -8.404 -6.530 1.00 0.00 H new ATOM 0 HG23 THR A 530 -3.410 -8.885 -8.086 1.00 0.00 H new ATOM 446 N LEU A 531 -3.893 -9.883 -3.795 1.00 0.00 N ATOM 447 CA LEU A 531 -2.926 -9.932 -2.707 1.00 0.00 C ATOM 448 C LEU A 531 -2.808 -11.332 -2.128 1.00 0.00 C ATOM 449 O LEU A 531 -1.814 -11.657 -1.488 1.00 0.00 O ATOM 450 CB LEU A 531 -3.296 -8.955 -1.593 1.00 0.00 C ATOM 451 CG LEU A 531 -3.266 -7.477 -1.980 1.00 0.00 C ATOM 452 CD1 LEU A 531 -3.531 -6.610 -0.761 1.00 0.00 C ATOM 453 CD2 LEU A 531 -1.927 -7.119 -2.606 1.00 0.00 C ATOM 0 H LEU A 531 -4.777 -9.433 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 531 -1.963 -9.644 -3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 531 -4.297 -9.199 -1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 531 -2.613 -9.108 -0.757 1.00 0.00 H new ATOM 0 HG LEU A 531 -4.049 -7.293 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 531 -3.507 -5.559 -1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 531 -4.511 -6.851 -0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 531 -2.765 -6.797 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 531 -1.922 -6.063 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 531 -1.127 -7.315 -1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 531 -1.770 -7.723 -3.500 1.00 0.00 H new ATOM 465 N ASN A 532 -3.840 -12.142 -2.314 1.00 0.00 N ATOM 466 CA ASN A 532 -3.814 -13.523 -1.867 1.00 0.00 C ATOM 467 C ASN A 532 -3.312 -14.462 -2.957 1.00 0.00 C ATOM 468 O ASN A 532 -3.392 -15.685 -2.820 1.00 0.00 O ATOM 469 CB ASN A 532 -5.210 -13.927 -1.434 1.00 0.00 C ATOM 470 CG ASN A 532 -5.267 -14.346 0.005 1.00 0.00 C ATOM 471 OD1 ASN A 532 -4.343 -14.965 0.537 1.00 0.00 O ATOM 472 ND2 ASN A 532 -6.347 -13.972 0.644 1.00 0.00 N ATOM 0 H ASN A 532 -4.707 -11.864 -2.773 1.00 0.00 H new ATOM 0 HA ASN A 532 -3.122 -13.601 -1.029 1.00 0.00 H new ATOM 0 HB2 ASN A 532 -5.892 -13.092 -1.593 1.00 0.00 H new ATOM 0 HB3 ASN A 532 -5.558 -14.747 -2.062 1.00 0.00 H new ATOM 0 HD21 ASN A 532 -6.455 -14.191 1.634 1.00 0.00 H new ATOM 0 HD22 ASN A 532 -7.080 -13.461 0.152 1.00 0.00 H new ATOM 479 N ARG A 533 -2.802 -13.893 -4.037 1.00 0.00 N ATOM 480 CA ARG A 533 -2.276 -14.690 -5.131 1.00 0.00 C ATOM 481 C ARG A 533 -0.754 -14.726 -5.075 1.00 0.00 C ATOM 482 O ARG A 533 -0.113 -13.746 -4.693 1.00 0.00 O ATOM 483 CB ARG A 533 -2.744 -14.135 -6.483 1.00 0.00 C ATOM 484 CG ARG A 533 -2.401 -15.035 -7.659 1.00 0.00 C ATOM 485 CD ARG A 533 -2.926 -14.484 -8.976 1.00 0.00 C ATOM 486 NE ARG A 533 -2.573 -15.363 -10.089 1.00 0.00 N ATOM 487 CZ ARG A 533 -2.603 -15.015 -11.377 1.00 0.00 C ATOM 488 NH1 ARG A 533 -3.083 -13.831 -11.753 1.00 0.00 N1+ ATOM 489 NH2 ARG A 533 -2.180 -15.879 -12.289 1.00 0.00 N ATOM 0 H ARG A 533 -2.741 -12.885 -4.179 1.00 0.00 H new ATOM 0 HA ARG A 533 -2.656 -15.706 -5.027 1.00 0.00 H new ATOM 0 HB2 ARG A 533 -3.823 -13.987 -6.452 1.00 0.00 H new ATOM 0 HB3 ARG A 533 -2.292 -13.156 -6.641 1.00 0.00 H new ATOM 0 HG2 ARG A 533 -1.319 -15.152 -7.721 1.00 0.00 H new ATOM 0 HG3 ARG A 533 -2.820 -16.027 -7.489 1.00 0.00 H new ATOM 0 HD2 ARG A 533 -4.009 -14.376 -8.923 1.00 0.00 H new ATOM 0 HD3 ARG A 533 -2.514 -13.490 -9.148 1.00 0.00 H new ATOM 0 HE ARG A 533 -2.282 -16.314 -9.864 1.00 0.00 H new ATOM 0 HH11 ARG A 533 -3.434 -13.177 -11.053 1.00 0.00 H new ATOM 0 HH12 ARG A 533 -3.100 -13.578 -12.741 1.00 0.00 H new ATOM 0 HH21 ARG A 533 -1.837 -16.796 -12.003 1.00 0.00 H new ATOM 0 HH22 ARG A 533 -2.197 -15.627 -13.277 1.00 0.00 H new ATOM 503 N GLU A 534 -0.185 -15.873 -5.425 1.00 0.00 N ATOM 504 CA GLU A 534 1.259 -16.019 -5.501 1.00 0.00 C ATOM 505 C GLU A 534 1.823 -15.166 -6.626 1.00 0.00 C ATOM 506 O GLU A 534 1.178 -14.975 -7.658 1.00 0.00 O ATOM 507 CB GLU A 534 1.642 -17.481 -5.724 1.00 0.00 C ATOM 508 CG GLU A 534 1.378 -18.374 -4.523 1.00 0.00 C ATOM 509 CD GLU A 534 1.781 -19.808 -4.782 1.00 0.00 C ATOM 510 OE1 GLU A 534 2.964 -20.045 -5.102 1.00 0.00 O1- ATOM 511 OE2 GLU A 534 0.911 -20.699 -4.696 1.00 0.00 O ATOM 0 H GLU A 534 -0.706 -16.717 -5.661 1.00 0.00 H new ATOM 0 HA GLU A 534 1.681 -15.683 -4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 534 1.088 -17.866 -6.580 1.00 0.00 H new ATOM 0 HB3 GLU A 534 2.700 -17.535 -5.979 1.00 0.00 H new ATOM 0 HG2 GLU A 534 1.926 -17.994 -3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 534 0.319 -18.336 -4.269 1.00 0.00 H new ATOM 518 N GLY A 535 3.024 -14.659 -6.419 1.00 0.00 N ATOM 519 CA GLY A 535 3.658 -13.832 -7.415 1.00 0.00 C ATOM 520 C GLY A 535 4.596 -12.829 -6.790 1.00 0.00 C ATOM 521 O GLY A 535 5.305 -13.153 -5.834 1.00 0.00 O ATOM 0 H GLY A 535 3.574 -14.807 -5.573 1.00 0.00 H new ATOM 0 HA2 GLY A 535 4.210 -14.461 -8.113 1.00 0.00 H new ATOM 0 HA3 GLY A 535 2.896 -13.308 -7.992 1.00 0.00 H new ATOM 525 N VAL A 536 4.600 -11.616 -7.312 1.00 0.00 N ATOM 526 CA VAL A 536 5.460 -10.567 -6.795 1.00 0.00 C ATOM 527 C VAL A 536 4.681 -9.259 -6.675 1.00 0.00 C ATOM 528 O VAL A 536 4.051 -8.818 -7.633 1.00 0.00 O ATOM 529 CB VAL A 536 6.692 -10.356 -7.713 1.00 0.00 C ATOM 530 CG1 VAL A 536 7.679 -11.503 -7.565 1.00 0.00 C ATOM 531 CG2 VAL A 536 6.264 -10.221 -9.168 1.00 0.00 C ATOM 0 H VAL A 536 4.014 -11.332 -8.097 1.00 0.00 H new ATOM 0 HA VAL A 536 5.809 -10.873 -5.809 1.00 0.00 H new ATOM 0 HB VAL A 536 7.183 -9.432 -7.406 1.00 0.00 H new ATOM 0 HG11 VAL A 536 8.535 -11.333 -8.218 1.00 0.00 H new ATOM 0 HG12 VAL A 536 8.018 -11.560 -6.531 1.00 0.00 H new ATOM 0 HG13 VAL A 536 7.193 -12.439 -7.840 1.00 0.00 H new ATOM 0 HG21 VAL A 536 7.144 -10.074 -9.794 1.00 0.00 H new ATOM 0 HG22 VAL A 536 5.744 -11.127 -9.480 1.00 0.00 H new ATOM 0 HG23 VAL A 536 5.597 -9.366 -9.273 1.00 0.00 H new ATOM 541 N TYR A 537 4.718 -8.647 -5.495 1.00 0.00 N ATOM 542 CA TYR A 537 4.045 -7.371 -5.265 1.00 0.00 C ATOM 543 C TYR A 537 4.798 -6.558 -4.221 1.00 0.00 C ATOM 544 O TYR A 537 5.393 -7.119 -3.301 1.00 0.00 O ATOM 545 CB TYR A 537 2.603 -7.566 -4.766 1.00 0.00 C ATOM 546 CG TYR A 537 1.701 -8.357 -5.689 1.00 0.00 C ATOM 547 CD1 TYR A 537 1.268 -7.825 -6.898 1.00 0.00 C ATOM 548 CD2 TYR A 537 1.282 -9.635 -5.347 1.00 0.00 C ATOM 549 CE1 TYR A 537 0.444 -8.547 -7.740 1.00 0.00 C ATOM 550 CE2 TYR A 537 0.460 -10.364 -6.182 1.00 0.00 C ATOM 551 CZ TYR A 537 0.044 -9.818 -7.378 1.00 0.00 C ATOM 552 OH TYR A 537 -0.770 -10.544 -8.216 1.00 0.00 O ATOM 0 H TYR A 537 5.209 -9.015 -4.680 1.00 0.00 H new ATOM 0 HA TYR A 537 4.025 -6.848 -6.221 1.00 0.00 H new ATOM 0 HB2 TYR A 537 2.635 -8.068 -3.799 1.00 0.00 H new ATOM 0 HB3 TYR A 537 2.157 -6.585 -4.602 1.00 0.00 H new ATOM 0 HD1 TYR A 537 1.581 -6.832 -7.184 1.00 0.00 H new ATOM 0 HD2 TYR A 537 1.605 -10.067 -4.411 1.00 0.00 H new ATOM 0 HE1 TYR A 537 0.115 -8.120 -8.676 1.00 0.00 H new ATOM 0 HE2 TYR A 537 0.144 -11.358 -5.900 1.00 0.00 H new ATOM 0 HH TYR A 537 -0.958 -11.418 -7.814 1.00 0.00 H new ATOM 562 N THR A 538 4.776 -5.245 -4.372 1.00 0.00 N ATOM 563 CA THR A 538 5.280 -4.349 -3.342 1.00 0.00 C ATOM 564 C THR A 538 4.154 -3.453 -2.866 1.00 0.00 C ATOM 565 O THR A 538 3.771 -2.507 -3.549 1.00 0.00 O ATOM 566 CB THR A 538 6.444 -3.486 -3.851 1.00 0.00 C ATOM 567 OG1 THR A 538 7.517 -4.332 -4.252 1.00 0.00 O ATOM 568 CG2 THR A 538 6.934 -2.515 -2.786 1.00 0.00 C ATOM 0 H THR A 538 4.413 -4.773 -5.200 1.00 0.00 H new ATOM 0 HA THR A 538 5.656 -4.958 -2.520 1.00 0.00 H new ATOM 0 HB THR A 538 6.085 -2.901 -4.698 1.00 0.00 H new ATOM 0 HG1 THR A 538 7.569 -4.353 -5.230 1.00 0.00 H new ATOM 0 HG21 THR A 538 7.758 -1.923 -3.185 1.00 0.00 H new ATOM 0 HG22 THR A 538 6.119 -1.853 -2.495 1.00 0.00 H new ATOM 0 HG23 THR A 538 7.277 -3.073 -1.915 1.00 0.00 H new ATOM 576 N VAL A 539 3.609 -3.770 -1.716 1.00 0.00 N ATOM 577 CA VAL A 539 2.442 -3.084 -1.225 1.00 0.00 C ATOM 578 C VAL A 539 2.826 -2.027 -0.208 1.00 0.00 C ATOM 579 O VAL A 539 3.323 -2.350 0.875 1.00 0.00 O ATOM 580 CB VAL A 539 1.463 -4.082 -0.586 1.00 0.00 C ATOM 581 CG1 VAL A 539 0.277 -3.361 0.031 1.00 0.00 C ATOM 582 CG2 VAL A 539 1.006 -5.093 -1.622 1.00 0.00 C ATOM 0 H VAL A 539 3.959 -4.504 -1.100 1.00 0.00 H new ATOM 0 HA VAL A 539 1.957 -2.597 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 539 1.978 -4.612 0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 539 -0.400 -4.090 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 539 0.629 -2.675 0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 539 -0.250 -2.800 -0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 539 0.313 -5.797 -1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 539 0.507 -4.575 -2.441 1.00 0.00 H new ATOM 0 HG23 VAL A 539 1.870 -5.634 -2.008 1.00 0.00 H new ATOM 592 N PHE A 540 2.620 -0.766 -0.548 1.00 0.00 N ATOM 593 CA PHE A 540 2.781 0.278 0.427 1.00 0.00 C ATOM 594 C PHE A 540 1.478 0.435 1.185 1.00 0.00 C ATOM 595 O PHE A 540 0.503 0.976 0.674 1.00 0.00 O ATOM 596 CB PHE A 540 3.230 1.566 -0.247 1.00 0.00 C ATOM 597 CG PHE A 540 4.686 1.545 -0.591 1.00 0.00 C ATOM 598 CD1 PHE A 540 5.622 1.870 0.368 1.00 0.00 C ATOM 599 CD2 PHE A 540 5.121 1.198 -1.861 1.00 0.00 C ATOM 600 CE1 PHE A 540 6.973 1.859 0.074 1.00 0.00 C ATOM 601 CE2 PHE A 540 6.468 1.182 -2.164 1.00 0.00 C ATOM 602 CZ PHE A 540 7.396 1.512 -1.194 1.00 0.00 C ATOM 0 H PHE A 540 2.345 -0.452 -1.479 1.00 0.00 H new ATOM 0 HA PHE A 540 3.561 0.020 1.143 1.00 0.00 H new ATOM 0 HB2 PHE A 540 2.646 1.722 -1.154 1.00 0.00 H new ATOM 0 HB3 PHE A 540 3.026 2.410 0.413 1.00 0.00 H new ATOM 0 HD1 PHE A 540 5.295 2.137 1.362 1.00 0.00 H new ATOM 0 HD2 PHE A 540 4.399 0.938 -2.621 1.00 0.00 H new ATOM 0 HE1 PHE A 540 7.695 2.121 0.833 1.00 0.00 H new ATOM 0 HE2 PHE A 540 6.796 0.912 -3.157 1.00 0.00 H new ATOM 0 HZ PHE A 540 8.450 1.498 -1.427 1.00 0.00 H new ATOM 612 N ALA A 541 1.473 -0.080 2.400 1.00 0.00 N ATOM 613 CA ALA A 541 0.242 -0.259 3.151 1.00 0.00 C ATOM 614 C ALA A 541 0.008 0.890 4.109 1.00 0.00 C ATOM 615 O ALA A 541 0.781 1.101 5.048 1.00 0.00 O ATOM 616 CB ALA A 541 0.275 -1.581 3.902 1.00 0.00 C ATOM 0 H ALA A 541 2.313 -0.384 2.892 1.00 0.00 H new ATOM 0 HA ALA A 541 -0.587 -0.274 2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -0.652 -1.705 4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 541 0.382 -2.401 3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 541 1.119 -1.586 4.592 1.00 0.00 H new ATOM 622 N PRO A 542 -1.060 1.655 3.879 1.00 0.00 N ATOM 623 CA PRO A 542 -1.415 2.773 4.732 1.00 0.00 C ATOM 624 C PRO A 542 -2.163 2.319 5.978 1.00 0.00 C ATOM 625 O PRO A 542 -3.066 1.480 5.909 1.00 0.00 O ATOM 626 CB PRO A 542 -2.310 3.624 3.835 1.00 0.00 C ATOM 627 CG PRO A 542 -2.941 2.661 2.882 1.00 0.00 C ATOM 628 CD PRO A 542 -2.008 1.484 2.761 1.00 0.00 C ATOM 0 HA PRO A 542 -0.543 3.309 5.106 1.00 0.00 H new ATOM 0 HB2 PRO A 542 -3.064 4.152 4.419 1.00 0.00 H new ATOM 0 HB3 PRO A 542 -1.731 4.380 3.305 1.00 0.00 H new ATOM 0 HG2 PRO A 542 -3.918 2.343 3.246 1.00 0.00 H new ATOM 0 HG3 PRO A 542 -3.100 3.128 1.910 1.00 0.00 H new ATOM 0 HD2 PRO A 542 -2.547 0.540 2.837 1.00 0.00 H new ATOM 0 HD3 PRO A 542 -1.494 1.481 1.800 1.00 0.00 H new ATOM 636 N THR A 543 -1.776 2.863 7.115 1.00 0.00 N ATOM 637 CA THR A 543 -2.416 2.537 8.373 1.00 0.00 C ATOM 638 C THR A 543 -3.835 3.109 8.444 1.00 0.00 C ATOM 639 O THR A 543 -4.264 3.856 7.562 1.00 0.00 O ATOM 640 CB THR A 543 -1.574 3.060 9.546 1.00 0.00 C ATOM 641 OG1 THR A 543 -1.345 4.468 9.398 1.00 0.00 O ATOM 642 CG2 THR A 543 -0.240 2.336 9.607 1.00 0.00 C ATOM 0 H THR A 543 -1.015 3.538 7.193 1.00 0.00 H new ATOM 0 HA THR A 543 -2.490 1.452 8.440 1.00 0.00 H new ATOM 0 HB THR A 543 -2.121 2.876 10.470 1.00 0.00 H new ATOM 0 HG1 THR A 543 -0.731 4.775 10.097 1.00 0.00 H new ATOM 0 HG21 THR A 543 0.344 2.719 10.444 1.00 0.00 H new ATOM 0 HG22 THR A 543 -0.411 1.268 9.743 1.00 0.00 H new ATOM 0 HG23 THR A 543 0.306 2.501 8.678 1.00 0.00 H new ATOM 650 N ASN A 544 -4.562 2.762 9.499 1.00 0.00 N ATOM 651 CA ASN A 544 -5.943 3.209 9.662 1.00 0.00 C ATOM 652 C ASN A 544 -6.003 4.710 9.900 1.00 0.00 C ATOM 653 O ASN A 544 -6.940 5.380 9.474 1.00 0.00 O ATOM 654 CB ASN A 544 -6.624 2.457 10.810 1.00 0.00 C ATOM 655 CG ASN A 544 -7.061 1.053 10.415 1.00 0.00 C ATOM 656 OD1 ASN A 544 -7.997 0.496 10.984 1.00 0.00 O ATOM 657 ND2 ASN A 544 -6.404 0.475 9.423 1.00 0.00 N ATOM 0 H ASN A 544 -4.219 2.171 10.257 1.00 0.00 H new ATOM 0 HA ASN A 544 -6.479 2.988 8.739 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -5.939 2.395 11.656 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -7.493 3.023 11.145 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -6.670 -0.459 9.111 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -5.631 0.963 8.970 1.00 0.00 H new ATOM 664 N GLU A 545 -4.988 5.233 10.571 1.00 0.00 N ATOM 665 CA GLU A 545 -4.865 6.669 10.783 1.00 0.00 C ATOM 666 C GLU A 545 -4.532 7.385 9.476 1.00 0.00 C ATOM 667 O GLU A 545 -4.734 8.590 9.353 1.00 0.00 O ATOM 668 CB GLU A 545 -3.818 6.999 11.861 1.00 0.00 C ATOM 669 CG GLU A 545 -2.597 6.092 11.868 1.00 0.00 C ATOM 670 CD GLU A 545 -2.849 4.779 12.583 1.00 0.00 C ATOM 671 OE1 GLU A 545 -2.688 4.731 13.816 1.00 0.00 O1- ATOM 672 OE2 GLU A 545 -3.216 3.795 11.913 1.00 0.00 O ATOM 0 H GLU A 545 -4.234 4.682 10.980 1.00 0.00 H new ATOM 0 HA GLU A 545 -5.831 7.028 11.140 1.00 0.00 H new ATOM 0 HB2 GLU A 545 -3.487 8.028 11.722 1.00 0.00 H new ATOM 0 HB3 GLU A 545 -4.296 6.947 12.839 1.00 0.00 H new ATOM 0 HG2 GLU A 545 -2.294 5.890 10.841 1.00 0.00 H new ATOM 0 HG3 GLU A 545 -1.767 6.610 12.349 1.00 0.00 H new ATOM 679 N ALA A 546 -4.019 6.647 8.500 1.00 0.00 N ATOM 680 CA ALA A 546 -3.724 7.225 7.198 1.00 0.00 C ATOM 681 C ALA A 546 -4.977 7.423 6.392 1.00 0.00 C ATOM 682 O ALA A 546 -5.092 8.377 5.623 1.00 0.00 O ATOM 683 CB ALA A 546 -2.738 6.361 6.441 1.00 0.00 C ATOM 0 H ALA A 546 -3.800 5.654 8.585 1.00 0.00 H new ATOM 0 HA ALA A 546 -3.273 8.204 7.363 1.00 0.00 H new ATOM 0 HB1 ALA A 546 -2.531 6.811 5.470 1.00 0.00 H new ATOM 0 HB2 ALA A 546 -1.811 6.283 7.010 1.00 0.00 H new ATOM 0 HB3 ALA A 546 -3.161 5.367 6.297 1.00 0.00 H new ATOM 689 N PHE A 547 -5.921 6.533 6.581 1.00 0.00 N ATOM 690 CA PHE A 547 -7.239 6.708 6.016 1.00 0.00 C ATOM 691 C PHE A 547 -7.890 7.931 6.652 1.00 0.00 C ATOM 692 O PHE A 547 -8.889 8.450 6.158 1.00 0.00 O ATOM 693 CB PHE A 547 -8.080 5.446 6.218 1.00 0.00 C ATOM 694 CG PHE A 547 -7.369 4.208 5.754 1.00 0.00 C ATOM 695 CD1 PHE A 547 -6.709 4.199 4.535 1.00 0.00 C ATOM 696 CD2 PHE A 547 -7.343 3.063 6.535 1.00 0.00 C ATOM 697 CE1 PHE A 547 -6.043 3.072 4.102 1.00 0.00 C ATOM 698 CE2 PHE A 547 -6.674 1.933 6.105 1.00 0.00 C ATOM 699 CZ PHE A 547 -6.025 1.939 4.888 1.00 0.00 C ATOM 0 H PHE A 547 -5.801 5.677 7.123 1.00 0.00 H new ATOM 0 HA PHE A 547 -7.165 6.872 4.941 1.00 0.00 H new ATOM 0 HB2 PHE A 547 -8.331 5.344 7.274 1.00 0.00 H new ATOM 0 HB3 PHE A 547 -9.020 5.548 5.675 1.00 0.00 H new ATOM 0 HD1 PHE A 547 -6.717 5.085 3.917 1.00 0.00 H new ATOM 0 HD2 PHE A 547 -7.850 3.054 7.488 1.00 0.00 H new ATOM 0 HE1 PHE A 547 -5.536 3.077 3.148 1.00 0.00 H new ATOM 0 HE2 PHE A 547 -6.659 1.046 6.721 1.00 0.00 H new ATOM 0 HZ PHE A 547 -5.503 1.056 4.550 1.00 0.00 H new ATOM 709 N ARG A 548 -7.301 8.384 7.762 1.00 0.00 N ATOM 710 CA ARG A 548 -7.829 9.528 8.489 1.00 0.00 C ATOM 711 C ARG A 548 -7.148 10.808 8.007 1.00 0.00 C ATOM 712 O ARG A 548 -7.611 11.917 8.276 1.00 0.00 O ATOM 713 CB ARG A 548 -7.635 9.351 9.997 1.00 0.00 C ATOM 714 CG ARG A 548 -8.353 10.402 10.820 1.00 0.00 C ATOM 715 CD ARG A 548 -9.858 10.299 10.641 1.00 0.00 C ATOM 716 NE ARG A 548 -10.559 11.490 11.120 1.00 0.00 N ATOM 717 CZ ARG A 548 -11.838 11.499 11.498 1.00 0.00 C ATOM 718 NH1 ARG A 548 -12.528 10.365 11.536 1.00 0.00 N1+ ATOM 719 NH2 ARG A 548 -12.423 12.640 11.847 1.00 0.00 N ATOM 0 H ARG A 548 -6.461 7.974 8.171 1.00 0.00 H new ATOM 0 HA ARG A 548 -8.899 9.602 8.295 1.00 0.00 H new ATOM 0 HB2 ARG A 548 -7.993 8.364 10.289 1.00 0.00 H new ATOM 0 HB3 ARG A 548 -6.570 9.385 10.226 1.00 0.00 H new ATOM 0 HG2 ARG A 548 -8.099 10.280 11.873 1.00 0.00 H new ATOM 0 HG3 ARG A 548 -8.015 11.395 10.523 1.00 0.00 H new ATOM 0 HD2 ARG A 548 -10.086 10.146 9.586 1.00 0.00 H new ATOM 0 HD3 ARG A 548 -10.226 9.424 11.177 1.00 0.00 H new ATOM 0 HE ARG A 548 -10.039 12.366 11.168 1.00 0.00 H new ATOM 0 HH11 ARG A 548 -12.080 9.486 11.276 1.00 0.00 H new ATOM 0 HH12 ARG A 548 -13.506 10.373 11.825 1.00 0.00 H new ATOM 0 HH21 ARG A 548 -11.894 13.512 11.826 1.00 0.00 H new ATOM 0 HH22 ARG A 548 -13.401 12.644 12.136 1.00 0.00 H new ATOM 733 N ALA A 549 -6.040 10.639 7.289 1.00 0.00 N ATOM 734 CA ALA A 549 -5.291 11.767 6.757 1.00 0.00 C ATOM 735 C ALA A 549 -5.960 12.258 5.485 1.00 0.00 C ATOM 736 O ALA A 549 -5.744 13.387 5.042 1.00 0.00 O ATOM 737 CB ALA A 549 -3.844 11.378 6.483 1.00 0.00 C ATOM 0 H ALA A 549 -5.643 9.727 7.063 1.00 0.00 H new ATOM 0 HA ALA A 549 -5.285 12.569 7.496 1.00 0.00 H new ATOM 0 HB1 ALA A 549 -3.305 12.238 6.086 1.00 0.00 H new ATOM 0 HB2 ALA A 549 -3.373 11.051 7.410 1.00 0.00 H new ATOM 0 HB3 ALA A 549 -3.817 10.566 5.756 1.00 0.00 H new ATOM 743 N LEU A 550 -6.776 11.386 4.907 1.00 0.00 N ATOM 744 CA LEU A 550 -7.551 11.710 3.726 1.00 0.00 C ATOM 745 C LEU A 550 -8.968 12.094 4.126 1.00 0.00 C ATOM 746 O LEU A 550 -9.560 11.471 5.008 1.00 0.00 O ATOM 747 CB LEU A 550 -7.564 10.522 2.757 1.00 0.00 C ATOM 748 CG LEU A 550 -6.197 10.161 2.183 1.00 0.00 C ATOM 749 CD1 LEU A 550 -6.322 9.010 1.212 1.00 0.00 C ATOM 750 CD2 LEU A 550 -5.566 11.362 1.499 1.00 0.00 C ATOM 0 H LEU A 550 -6.916 10.435 5.247 1.00 0.00 H new ATOM 0 HA LEU A 550 -7.091 12.558 3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 550 -7.969 9.652 3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 550 -8.242 10.748 1.934 1.00 0.00 H new ATOM 0 HG LEU A 550 -5.550 9.856 3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 550 -5.339 8.764 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 550 -6.731 8.141 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 550 -6.986 9.293 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 550 -4.592 11.082 1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 550 -6.211 11.698 0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 550 -5.442 12.169 2.222 1.00 0.00 H new ATOM 762 N PRO A 551 -9.514 13.148 3.512 1.00 0.00 N ATOM 763 CA PRO A 551 -10.863 13.627 3.818 1.00 0.00 C ATOM 764 C PRO A 551 -11.926 12.575 3.518 1.00 0.00 C ATOM 765 O PRO A 551 -11.868 11.910 2.483 1.00 0.00 O ATOM 766 CB PRO A 551 -11.039 14.843 2.897 1.00 0.00 C ATOM 767 CG PRO A 551 -9.658 15.235 2.507 1.00 0.00 C ATOM 768 CD PRO A 551 -8.867 13.961 2.471 1.00 0.00 C ATOM 0 HA PRO A 551 -10.979 13.864 4.876 1.00 0.00 H new ATOM 0 HB2 PRO A 551 -11.640 14.592 2.023 1.00 0.00 H new ATOM 0 HB3 PRO A 551 -11.550 15.657 3.412 1.00 0.00 H new ATOM 0 HG2 PRO A 551 -9.651 15.727 1.535 1.00 0.00 H new ATOM 0 HG3 PRO A 551 -9.234 15.939 3.223 1.00 0.00 H new ATOM 0 HD2 PRO A 551 -8.917 13.481 1.494 1.00 0.00 H new ATOM 0 HD3 PRO A 551 -7.813 14.133 2.688 1.00 0.00 H new ATOM 776 N PRO A 552 -12.906 12.411 4.423 1.00 0.00 N ATOM 777 CA PRO A 552 -14.025 11.484 4.228 1.00 0.00 C ATOM 778 C PRO A 552 -14.709 11.673 2.878 1.00 0.00 C ATOM 779 O PRO A 552 -15.105 10.702 2.243 1.00 0.00 O ATOM 780 CB PRO A 552 -14.978 11.833 5.368 1.00 0.00 C ATOM 781 CG PRO A 552 -14.092 12.370 6.438 1.00 0.00 C ATOM 782 CD PRO A 552 -12.989 13.103 5.726 1.00 0.00 C ATOM 0 HA PRO A 552 -13.698 10.444 4.234 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -15.717 12.571 5.056 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -15.527 10.956 5.710 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -14.641 13.038 7.102 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -13.692 11.565 7.055 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -13.222 14.161 5.605 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -12.048 13.044 6.273 1.00 0.00 H new ATOM 790 N ARG A 553 -14.824 12.924 2.436 1.00 0.00 N ATOM 791 CA ARG A 553 -15.406 13.238 1.131 1.00 0.00 C ATOM 792 C ARG A 553 -14.700 12.470 0.009 1.00 0.00 C ATOM 793 O ARG A 553 -15.325 12.051 -0.966 1.00 0.00 O ATOM 794 CB ARG A 553 -15.314 14.746 0.866 1.00 0.00 C ATOM 795 CG ARG A 553 -15.785 15.159 -0.520 1.00 0.00 C ATOM 796 CD ARG A 553 -15.701 16.667 -0.721 1.00 0.00 C ATOM 797 NE ARG A 553 -14.332 17.179 -0.584 1.00 0.00 N ATOM 798 CZ ARG A 553 -14.023 18.478 -0.528 1.00 0.00 C ATOM 799 NH1 ARG A 553 -14.965 19.402 -0.687 1.00 0.00 N1+ ATOM 800 NH2 ARG A 553 -12.759 18.854 -0.362 1.00 0.00 N ATOM 0 H ARG A 553 -14.520 13.741 2.965 1.00 0.00 H new ATOM 0 HA ARG A 553 -16.453 12.934 1.146 1.00 0.00 H new ATOM 0 HB2 ARG A 553 -15.908 15.273 1.613 1.00 0.00 H new ATOM 0 HB3 ARG A 553 -14.280 15.066 0.998 1.00 0.00 H new ATOM 0 HG2 ARG A 553 -15.178 14.658 -1.274 1.00 0.00 H new ATOM 0 HG3 ARG A 553 -16.814 14.830 -0.667 1.00 0.00 H new ATOM 0 HD2 ARG A 553 -16.082 16.920 -1.710 1.00 0.00 H new ATOM 0 HD3 ARG A 553 -16.345 17.163 0.005 1.00 0.00 H new ATOM 0 HE ARG A 553 -13.571 16.502 -0.528 1.00 0.00 H new ATOM 0 HH11 ARG A 553 -15.932 19.122 -0.853 1.00 0.00 H new ATOM 0 HH12 ARG A 553 -14.721 20.392 -0.643 1.00 0.00 H new ATOM 0 HH21 ARG A 553 -12.025 18.151 -0.277 1.00 0.00 H new ATOM 0 HH22 ARG A 553 -12.523 19.845 -0.319 1.00 0.00 H new ATOM 814 N GLU A 554 -13.404 12.265 0.175 1.00 0.00 N ATOM 815 CA GLU A 554 -12.595 11.622 -0.843 1.00 0.00 C ATOM 816 C GLU A 554 -12.651 10.101 -0.698 1.00 0.00 C ATOM 817 O GLU A 554 -12.828 9.381 -1.681 1.00 0.00 O ATOM 818 CB GLU A 554 -11.154 12.128 -0.742 1.00 0.00 C ATOM 819 CG GLU A 554 -10.606 12.675 -2.050 1.00 0.00 C ATOM 820 CD GLU A 554 -9.425 13.604 -1.846 1.00 0.00 C ATOM 821 OE1 GLU A 554 -8.292 13.114 -1.674 1.00 0.00 O1- ATOM 822 OE2 GLU A 554 -9.629 14.837 -1.861 1.00 0.00 O ATOM 0 H GLU A 554 -12.888 12.537 1.012 1.00 0.00 H new ATOM 0 HA GLU A 554 -12.991 11.874 -1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 554 -11.105 12.909 0.017 1.00 0.00 H new ATOM 0 HB3 GLU A 554 -10.515 11.313 -0.403 1.00 0.00 H new ATOM 0 HG2 GLU A 554 -10.304 11.845 -2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 554 -11.397 13.210 -2.576 1.00 0.00 H new ATOM 829 N TRP A 555 -12.533 9.618 0.533 1.00 0.00 N ATOM 830 CA TRP A 555 -12.439 8.181 0.777 1.00 0.00 C ATOM 831 C TRP A 555 -13.789 7.493 0.775 1.00 0.00 C ATOM 832 O TRP A 555 -13.913 6.357 0.313 1.00 0.00 O ATOM 833 CB TRP A 555 -11.739 7.915 2.092 1.00 0.00 C ATOM 834 CG TRP A 555 -10.477 7.157 1.885 1.00 0.00 C ATOM 835 CD1 TRP A 555 -9.310 7.644 1.395 1.00 0.00 C ATOM 836 CD2 TRP A 555 -10.266 5.765 2.110 1.00 0.00 C ATOM 837 NE1 TRP A 555 -8.386 6.637 1.312 1.00 0.00 N ATOM 838 CE2 TRP A 555 -8.944 5.484 1.739 1.00 0.00 C ATOM 839 CE3 TRP A 555 -11.054 4.729 2.593 1.00 0.00 C ATOM 840 CZ2 TRP A 555 -8.393 4.224 1.828 1.00 0.00 C ATOM 841 CZ3 TRP A 555 -10.502 3.469 2.680 1.00 0.00 C ATOM 842 CH2 TRP A 555 -9.182 3.231 2.295 1.00 0.00 C ATOM 0 H TRP A 555 -12.500 10.195 1.374 1.00 0.00 H new ATOM 0 HA TRP A 555 -11.859 7.765 -0.047 1.00 0.00 H new ATOM 0 HB2 TRP A 555 -11.521 8.860 2.589 1.00 0.00 H new ATOM 0 HB3 TRP A 555 -12.400 7.353 2.752 1.00 0.00 H new ATOM 0 HD1 TRP A 555 -9.136 8.672 1.113 1.00 0.00 H new ATOM 0 HE1 TRP A 555 -7.427 6.741 0.980 1.00 0.00 H new ATOM 0 HE3 TRP A 555 -12.076 4.906 2.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 555 -7.370 4.037 1.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 555 -11.102 2.652 3.053 1.00 0.00 H new ATOM 0 HH2 TRP A 555 -8.782 2.231 2.372 1.00 0.00 H new ATOM 853 N SER A 556 -14.783 8.161 1.318 1.00 0.00 N ATOM 854 CA SER A 556 -16.142 7.625 1.319 1.00 0.00 C ATOM 855 C SER A 556 -16.584 7.276 -0.102 1.00 0.00 C ATOM 856 O SER A 556 -17.307 6.304 -0.309 1.00 0.00 O ATOM 857 CB SER A 556 -17.131 8.613 1.947 1.00 0.00 C ATOM 858 OG SER A 556 -18.429 8.047 2.053 1.00 0.00 O ATOM 0 H SER A 556 -14.685 9.073 1.765 1.00 0.00 H new ATOM 0 HA SER A 556 -16.137 6.717 1.922 1.00 0.00 H new ATOM 0 HB2 SER A 556 -16.778 8.905 2.936 1.00 0.00 H new ATOM 0 HB3 SER A 556 -17.175 9.520 1.343 1.00 0.00 H new ATOM 0 HG SER A 556 -19.038 8.699 2.458 1.00 0.00 H new ATOM 864 N ARG A 557 -16.140 8.069 -1.074 1.00 0.00 N ATOM 865 CA ARG A 557 -16.422 7.791 -2.475 1.00 0.00 C ATOM 866 C ARG A 557 -15.717 6.510 -2.919 1.00 0.00 C ATOM 867 O ARG A 557 -16.301 5.679 -3.615 1.00 0.00 O ATOM 868 CB ARG A 557 -15.989 8.964 -3.360 1.00 0.00 C ATOM 869 CG ARG A 557 -16.109 8.668 -4.848 1.00 0.00 C ATOM 870 CD ARG A 557 -15.641 9.832 -5.704 1.00 0.00 C ATOM 871 NE ARG A 557 -15.501 9.444 -7.106 1.00 0.00 N ATOM 872 CZ ARG A 557 -15.515 10.288 -8.136 1.00 0.00 C ATOM 873 NH1 ARG A 557 -15.687 11.591 -7.943 1.00 0.00 N1+ ATOM 874 NH2 ARG A 557 -15.364 9.816 -9.368 1.00 0.00 N ATOM 0 H ARG A 557 -15.584 8.909 -0.915 1.00 0.00 H new ATOM 0 HA ARG A 557 -17.498 7.655 -2.583 1.00 0.00 H new ATOM 0 HB2 ARG A 557 -16.597 9.836 -3.119 1.00 0.00 H new ATOM 0 HB3 ARG A 557 -14.955 9.222 -3.130 1.00 0.00 H new ATOM 0 HG2 ARG A 557 -15.521 7.782 -5.089 1.00 0.00 H new ATOM 0 HG3 ARG A 557 -17.147 8.437 -5.088 1.00 0.00 H new ATOM 0 HD2 ARG A 557 -16.352 10.654 -5.622 1.00 0.00 H new ATOM 0 HD3 ARG A 557 -14.685 10.199 -5.330 1.00 0.00 H new ATOM 0 HE ARG A 557 -15.384 8.452 -7.311 1.00 0.00 H new ATOM 0 HH11 ARG A 557 -15.810 11.955 -6.998 1.00 0.00 H new ATOM 0 HH12 ARG A 557 -15.696 12.228 -8.740 1.00 0.00 H new ATOM 0 HH21 ARG A 557 -15.239 8.815 -9.519 1.00 0.00 H new ATOM 0 HH22 ARG A 557 -15.373 10.454 -10.163 1.00 0.00 H new ATOM 888 N LEU A 558 -14.459 6.355 -2.502 1.00 0.00 N ATOM 889 CA LEU A 558 -13.675 5.163 -2.824 1.00 0.00 C ATOM 890 C LEU A 558 -14.375 3.924 -2.288 1.00 0.00 C ATOM 891 O LEU A 558 -14.678 3.009 -3.040 1.00 0.00 O ATOM 892 CB LEU A 558 -12.256 5.263 -2.242 1.00 0.00 C ATOM 893 CG LEU A 558 -11.511 6.558 -2.566 1.00 0.00 C ATOM 894 CD1 LEU A 558 -10.155 6.581 -1.877 1.00 0.00 C ATOM 895 CD2 LEU A 558 -11.354 6.718 -4.069 1.00 0.00 C ATOM 0 H LEU A 558 -13.960 7.044 -1.938 1.00 0.00 H new ATOM 0 HA LEU A 558 -13.592 5.089 -3.908 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -12.316 5.158 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -11.669 4.422 -2.611 1.00 0.00 H new ATOM 0 HG LEU A 558 -12.097 7.397 -2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -9.639 7.510 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -10.294 6.514 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -9.559 5.735 -2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -10.822 7.645 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -10.789 5.875 -4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -12.338 6.749 -4.536 1.00 0.00 H new ATOM 907 N LEU A 559 -14.681 3.923 -0.993 1.00 0.00 N ATOM 908 CA LEU A 559 -15.338 2.785 -0.361 1.00 0.00 C ATOM 909 C LEU A 559 -16.790 2.633 -0.794 1.00 0.00 C ATOM 910 O LEU A 559 -17.477 1.694 -0.387 1.00 0.00 O ATOM 911 CB LEU A 559 -15.252 2.906 1.138 1.00 0.00 C ATOM 912 CG LEU A 559 -14.134 2.084 1.751 1.00 0.00 C ATOM 913 CD1 LEU A 559 -13.662 2.744 3.012 1.00 0.00 C ATOM 914 CD2 LEU A 559 -14.599 0.661 2.026 1.00 0.00 C ATOM 0 H LEU A 559 -14.484 4.699 -0.361 1.00 0.00 H new ATOM 0 HA LEU A 559 -14.812 1.888 -0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 559 -15.108 3.954 1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 559 -16.201 2.595 1.574 1.00 0.00 H new ATOM 0 HG LEU A 559 -13.304 2.030 1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 559 -12.859 2.154 3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 559 -13.294 3.744 2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 559 -14.490 2.814 3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 559 -13.781 0.090 2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 559 -15.441 0.681 2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 559 -14.908 0.192 1.092 1.00 0.00 H new ATOM 926 N GLY A 560 -17.256 3.565 -1.607 1.00 0.00 N ATOM 927 CA GLY A 560 -18.597 3.475 -2.140 1.00 0.00 C ATOM 928 C GLY A 560 -18.685 2.466 -3.266 1.00 0.00 C ATOM 929 O GLY A 560 -19.724 1.834 -3.462 1.00 0.00 O ATOM 0 H GLY A 560 -16.729 4.384 -1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 560 -19.287 3.194 -1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 560 -18.911 4.454 -2.503 1.00 0.00 H new ATOM 933 N ASP A 561 -17.583 2.291 -3.988 1.00 0.00 N ATOM 934 CA ASP A 561 -17.560 1.406 -5.147 1.00 0.00 C ATOM 935 C ASP A 561 -16.228 0.670 -5.232 1.00 0.00 C ATOM 936 O ASP A 561 -15.195 1.187 -4.817 1.00 0.00 O ATOM 937 CB ASP A 561 -17.792 2.216 -6.421 1.00 0.00 C ATOM 938 CG ASP A 561 -18.030 1.348 -7.642 1.00 0.00 C ATOM 939 OD1 ASP A 561 -17.080 0.690 -8.108 1.00 0.00 O ATOM 940 OD2 ASP A 561 -19.171 1.323 -8.145 1.00 0.00 O1- ATOM 0 H ASP A 561 -16.694 2.750 -3.791 1.00 0.00 H new ATOM 0 HA ASP A 561 -18.356 0.669 -5.040 1.00 0.00 H new ATOM 0 HB2 ASP A 561 -18.650 2.872 -6.276 1.00 0.00 H new ATOM 0 HB3 ASP A 561 -16.928 2.856 -6.600 1.00 0.00 H new ATOM 945 N ALA A 562 -16.248 -0.523 -5.800 1.00 0.00 N ATOM 946 CA ALA A 562 -15.066 -1.371 -5.841 1.00 0.00 C ATOM 947 C ALA A 562 -13.988 -0.800 -6.746 1.00 0.00 C ATOM 948 O ALA A 562 -12.808 -0.842 -6.405 1.00 0.00 O ATOM 949 CB ALA A 562 -15.437 -2.776 -6.283 1.00 0.00 C ATOM 0 H ALA A 562 -17.073 -0.929 -6.241 1.00 0.00 H new ATOM 0 HA ALA A 562 -14.658 -1.411 -4.831 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -14.542 -3.398 -6.309 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -16.154 -3.201 -5.581 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -15.882 -2.739 -7.278 1.00 0.00 H new ATOM 955 N LYS A 563 -14.382 -0.247 -7.886 1.00 0.00 N ATOM 956 CA LYS A 563 -13.410 0.299 -8.820 1.00 0.00 C ATOM 957 C LYS A 563 -12.965 1.690 -8.384 1.00 0.00 C ATOM 958 O LYS A 563 -11.922 2.179 -8.818 1.00 0.00 O ATOM 959 CB LYS A 563 -13.927 0.283 -10.269 1.00 0.00 C ATOM 960 CG LYS A 563 -15.306 0.901 -10.486 1.00 0.00 C ATOM 961 CD LYS A 563 -15.261 2.417 -10.567 1.00 0.00 C ATOM 962 CE LYS A 563 -16.660 3.000 -10.690 1.00 0.00 C ATOM 963 NZ LYS A 563 -16.636 4.479 -10.834 1.00 0.00 N1+ ATOM 0 H LYS A 563 -15.355 -0.166 -8.182 1.00 0.00 H new ATOM 0 HA LYS A 563 -12.534 -0.349 -8.803 1.00 0.00 H new ATOM 0 HB2 LYS A 563 -13.210 0.811 -10.897 1.00 0.00 H new ATOM 0 HB3 LYS A 563 -13.954 -0.750 -10.615 1.00 0.00 H new ATOM 0 HG2 LYS A 563 -15.737 0.504 -11.405 1.00 0.00 H new ATOM 0 HG3 LYS A 563 -15.966 0.604 -9.671 1.00 0.00 H new ATOM 0 HD2 LYS A 563 -14.774 2.818 -9.678 1.00 0.00 H new ATOM 0 HD3 LYS A 563 -14.660 2.721 -11.424 1.00 0.00 H new ATOM 0 HE2 LYS A 563 -17.162 2.560 -11.552 1.00 0.00 H new ATOM 0 HE3 LYS A 563 -17.244 2.731 -9.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 -17.430 4.892 -10.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 -15.740 4.850 -10.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 -16.721 4.731 -11.839 1.00 0.00 H new ATOM 977 N GLU A 564 -13.752 2.321 -7.519 1.00 0.00 N ATOM 978 CA GLU A 564 -13.334 3.571 -6.902 1.00 0.00 C ATOM 979 C GLU A 564 -12.241 3.282 -5.877 1.00 0.00 C ATOM 980 O GLU A 564 -11.233 3.987 -5.806 1.00 0.00 O ATOM 981 CB GLU A 564 -14.514 4.283 -6.236 1.00 0.00 C ATOM 982 CG GLU A 564 -15.596 4.740 -7.202 1.00 0.00 C ATOM 983 CD GLU A 564 -15.106 5.774 -8.198 1.00 0.00 C ATOM 984 OE1 GLU A 564 -15.175 6.978 -7.893 1.00 0.00 O ATOM 985 OE2 GLU A 564 -14.679 5.385 -9.305 1.00 0.00 O1- ATOM 0 H GLU A 564 -14.673 1.990 -7.232 1.00 0.00 H new ATOM 0 HA GLU A 564 -12.946 4.233 -7.677 1.00 0.00 H new ATOM 0 HB2 GLU A 564 -14.959 3.613 -5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 564 -14.140 5.150 -5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 564 -15.980 3.876 -7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 564 -16.429 5.156 -6.635 1.00 0.00 H new ATOM 992 N LEU A 565 -12.444 2.220 -5.100 1.00 0.00 N ATOM 993 CA LEU A 565 -11.444 1.744 -4.168 1.00 0.00 C ATOM 994 C LEU A 565 -10.194 1.321 -4.916 1.00 0.00 C ATOM 995 O LEU A 565 -9.099 1.832 -4.674 1.00 0.00 O ATOM 996 CB LEU A 565 -11.983 0.536 -3.400 1.00 0.00 C ATOM 997 CG LEU A 565 -12.868 0.856 -2.204 1.00 0.00 C ATOM 998 CD1 LEU A 565 -13.695 -0.351 -1.801 1.00 0.00 C ATOM 999 CD2 LEU A 565 -12.007 1.305 -1.049 1.00 0.00 C ATOM 0 H LEU A 565 -13.305 1.673 -5.104 1.00 0.00 H new ATOM 0 HA LEU A 565 -11.205 2.551 -3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 565 -12.550 -0.088 -4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 565 -11.137 -0.058 -3.054 1.00 0.00 H new ATOM 0 HG LEU A 565 -13.554 1.656 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 565 -14.318 -0.095 -0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 565 -14.330 -0.652 -2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 565 -13.032 -1.174 -1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 565 -12.639 1.535 -0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 565 -11.311 0.510 -0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 565 -11.448 2.196 -1.336 1.00 0.00 H new ATOM 1011 N ALA A 566 -10.393 0.389 -5.839 1.00 0.00 N ATOM 1012 CA ALA A 566 -9.315 -0.225 -6.595 1.00 0.00 C ATOM 1013 C ALA A 566 -8.429 0.796 -7.308 1.00 0.00 C ATOM 1014 O ALA A 566 -7.253 0.534 -7.542 1.00 0.00 O ATOM 1015 CB ALA A 566 -9.911 -1.191 -7.600 1.00 0.00 C ATOM 0 H ALA A 566 -11.318 0.036 -6.085 1.00 0.00 H new ATOM 0 HA ALA A 566 -8.671 -0.750 -5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 566 -9.111 -1.658 -8.174 1.00 0.00 H new ATOM 0 HB2 ALA A 566 -10.477 -1.960 -7.074 1.00 0.00 H new ATOM 0 HB3 ALA A 566 -10.574 -0.650 -8.275 1.00 0.00 H new ATOM 1021 N ASN A 567 -8.996 1.953 -7.637 1.00 0.00 N ATOM 1022 CA ASN A 567 -8.277 2.985 -8.383 1.00 0.00 C ATOM 1023 C ASN A 567 -6.949 3.342 -7.709 1.00 0.00 C ATOM 1024 O ASN A 567 -5.883 3.142 -8.283 1.00 0.00 O ATOM 1025 CB ASN A 567 -9.152 4.233 -8.517 1.00 0.00 C ATOM 1026 CG ASN A 567 -8.588 5.246 -9.494 1.00 0.00 C ATOM 1027 OD1 ASN A 567 -7.813 6.124 -9.120 1.00 0.00 O ATOM 1028 ND2 ASN A 567 -8.982 5.135 -10.754 1.00 0.00 N ATOM 0 H ASN A 567 -9.956 2.202 -7.398 1.00 0.00 H new ATOM 0 HA ASN A 567 -8.051 2.591 -9.374 1.00 0.00 H new ATOM 0 HB2 ASN A 567 -10.150 3.938 -8.842 1.00 0.00 H new ATOM 0 HB3 ASN A 567 -9.261 4.701 -7.539 1.00 0.00 H new ATOM 0 HD21 ASN A 567 -8.641 5.793 -11.455 1.00 0.00 H new ATOM 0 HD22 ASN A 567 -9.627 4.392 -11.023 1.00 0.00 H new ATOM 1035 N ILE A 568 -7.025 3.846 -6.485 1.00 0.00 N ATOM 1036 CA ILE A 568 -5.838 4.258 -5.738 1.00 0.00 C ATOM 1037 C ILE A 568 -5.227 3.064 -5.023 1.00 0.00 C ATOM 1038 O ILE A 568 -4.011 2.930 -4.949 1.00 0.00 O ATOM 1039 CB ILE A 568 -6.155 5.372 -4.704 1.00 0.00 C ATOM 1040 CG1 ILE A 568 -6.734 6.604 -5.413 1.00 0.00 C ATOM 1041 CG2 ILE A 568 -4.905 5.757 -3.905 1.00 0.00 C ATOM 1042 CD1 ILE A 568 -7.123 7.729 -4.473 1.00 0.00 C ATOM 0 H ILE A 568 -7.902 3.981 -5.983 1.00 0.00 H new ATOM 0 HA ILE A 568 -5.129 4.662 -6.460 1.00 0.00 H new ATOM 0 HB ILE A 568 -6.896 4.984 -4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 568 -6.000 6.978 -6.127 1.00 0.00 H new ATOM 0 HG13 ILE A 568 -7.611 6.303 -5.985 1.00 0.00 H new ATOM 0 HG21 ILE A 568 -5.157 6.539 -3.189 1.00 0.00 H new ATOM 0 HG22 ILE A 568 -4.531 4.883 -3.371 1.00 0.00 H new ATOM 0 HG23 ILE A 568 -4.136 6.123 -4.586 1.00 0.00 H new ATOM 0 HD11 ILE A 568 -7.523 8.563 -5.050 1.00 0.00 H new ATOM 0 HD12 ILE A 568 -7.881 7.374 -3.774 1.00 0.00 H new ATOM 0 HD13 ILE A 568 -6.245 8.060 -3.918 1.00 0.00 H new ATOM 1054 N LEU A 569 -6.089 2.186 -4.516 1.00 0.00 N ATOM 1055 CA LEU A 569 -5.652 1.015 -3.761 1.00 0.00 C ATOM 1056 C LEU A 569 -4.655 0.165 -4.555 1.00 0.00 C ATOM 1057 O LEU A 569 -3.702 -0.373 -3.995 1.00 0.00 O ATOM 1058 CB LEU A 569 -6.871 0.174 -3.379 1.00 0.00 C ATOM 1059 CG LEU A 569 -6.614 -0.965 -2.399 1.00 0.00 C ATOM 1060 CD1 LEU A 569 -6.039 -0.435 -1.095 1.00 0.00 C ATOM 1061 CD2 LEU A 569 -7.903 -1.724 -2.141 1.00 0.00 C ATOM 0 H LEU A 569 -7.101 2.265 -4.616 1.00 0.00 H new ATOM 0 HA LEU A 569 -5.142 1.361 -2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 569 -7.624 0.835 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 569 -7.298 -0.246 -4.290 1.00 0.00 H new ATOM 0 HG LEU A 569 -5.884 -1.645 -2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 569 -5.864 -1.265 -0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 569 -5.097 0.077 -1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 569 -6.743 0.264 -0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 569 -7.713 -2.537 -1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 569 -8.646 -1.047 -1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 569 -8.278 -2.134 -3.079 1.00 0.00 H new ATOM 1073 N LYS A 570 -4.870 0.056 -5.862 1.00 0.00 N ATOM 1074 CA LYS A 570 -3.974 -0.735 -6.708 1.00 0.00 C ATOM 1075 C LYS A 570 -2.684 0.022 -7.044 1.00 0.00 C ATOM 1076 O LYS A 570 -1.721 -0.565 -7.530 1.00 0.00 O ATOM 1077 CB LYS A 570 -4.689 -1.178 -7.992 1.00 0.00 C ATOM 1078 CG LYS A 570 -5.753 -2.243 -7.752 1.00 0.00 C ATOM 1079 CD LYS A 570 -6.505 -2.622 -9.025 1.00 0.00 C ATOM 1080 CE LYS A 570 -5.600 -3.262 -10.070 1.00 0.00 C ATOM 1081 NZ LYS A 570 -5.185 -2.298 -11.127 1.00 0.00 N1+ ATOM 0 H LYS A 570 -5.645 0.498 -6.356 1.00 0.00 H new ATOM 0 HA LYS A 570 -3.693 -1.622 -6.140 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -5.153 -0.310 -8.460 1.00 0.00 H new ATOM 0 HB3 LYS A 570 -3.951 -1.563 -8.696 1.00 0.00 H new ATOM 0 HG2 LYS A 570 -5.283 -3.133 -7.334 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -6.464 -1.880 -7.010 1.00 0.00 H new ATOM 0 HD2 LYS A 570 -7.310 -3.313 -8.775 1.00 0.00 H new ATOM 0 HD3 LYS A 570 -6.969 -1.731 -9.448 1.00 0.00 H new ATOM 0 HE2 LYS A 570 -4.713 -3.665 -9.581 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -6.119 -4.102 -10.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 -4.466 -2.739 -11.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 -6.011 -2.035 -11.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 -4.787 -1.446 -10.683 1.00 0.00 H new ATOM 1095 N TYR A 571 -2.660 1.316 -6.777 1.00 0.00 N ATOM 1096 CA TYR A 571 -1.468 2.128 -7.016 1.00 0.00 C ATOM 1097 C TYR A 571 -0.523 2.018 -5.821 1.00 0.00 C ATOM 1098 O TYR A 571 0.640 2.406 -5.887 1.00 0.00 O ATOM 1099 CB TYR A 571 -1.894 3.575 -7.312 1.00 0.00 C ATOM 1100 CG TYR A 571 -0.798 4.621 -7.329 1.00 0.00 C ATOM 1101 CD1 TYR A 571 0.014 4.789 -8.445 1.00 0.00 C ATOM 1102 CD2 TYR A 571 -0.597 5.460 -6.241 1.00 0.00 C ATOM 1103 CE1 TYR A 571 0.999 5.759 -8.472 1.00 0.00 C ATOM 1104 CE2 TYR A 571 0.382 6.435 -6.262 1.00 0.00 C ATOM 1105 CZ TYR A 571 1.178 6.581 -7.378 1.00 0.00 C ATOM 1106 OH TYR A 571 2.155 7.550 -7.403 1.00 0.00 O ATOM 0 H TYR A 571 -3.451 1.833 -6.394 1.00 0.00 H new ATOM 0 HA TYR A 571 -0.921 1.765 -7.886 1.00 0.00 H new ATOM 0 HB2 TYR A 571 -2.393 3.591 -8.281 1.00 0.00 H new ATOM 0 HB3 TYR A 571 -2.634 3.870 -6.568 1.00 0.00 H new ATOM 0 HD1 TYR A 571 -0.127 4.151 -9.305 1.00 0.00 H new ATOM 0 HD2 TYR A 571 -1.216 5.349 -5.363 1.00 0.00 H new ATOM 0 HE1 TYR A 571 1.625 5.873 -9.345 1.00 0.00 H new ATOM 0 HE2 TYR A 571 0.523 7.080 -5.407 1.00 0.00 H new ATOM 0 HH TYR A 571 2.149 8.043 -6.556 1.00 0.00 H new ATOM 1116 N HIS A 572 -1.033 1.452 -4.736 1.00 0.00 N ATOM 1117 CA HIS A 572 -0.208 1.117 -3.580 1.00 0.00 C ATOM 1118 C HIS A 572 0.542 -0.177 -3.839 1.00 0.00 C ATOM 1119 O HIS A 572 1.505 -0.511 -3.147 1.00 0.00 O ATOM 1120 CB HIS A 572 -1.074 0.949 -2.330 1.00 0.00 C ATOM 1121 CG HIS A 572 -1.641 2.224 -1.807 1.00 0.00 C ATOM 1122 ND1 HIS A 572 -1.829 2.612 -0.528 1.00 0.00 N flip ATOM 1123 CD2 HIS A 572 -2.034 3.234 -2.644 1.00 0.00 C flip ATOM 1124 CE1 HIS A 572 -2.348 3.880 -0.568 1.00 0.00 C flip ATOM 1125 NE2 HIS A 572 -2.445 4.209 -1.865 1.00 0.00 N flip ATOM 0 H HIS A 572 -2.019 1.214 -4.631 1.00 0.00 H new ATOM 0 HA HIS A 572 0.499 1.930 -3.418 1.00 0.00 H new ATOM 0 HB2 HIS A 572 -1.893 0.266 -2.557 1.00 0.00 H new ATOM 0 HB3 HIS A 572 -0.477 0.481 -1.547 1.00 0.00 H new ATOM 0 HD2 HIS A 572 -2.011 3.230 -3.724 1.00 0.00 H new ATOM 0 HE1 HIS A 572 -2.624 4.493 0.277 1.00 0.00 H new ATOM 0 HE2 HIS A 572 -2.795 5.105 -2.204 1.00 0.00 H new ATOM 1133 N ILE A 573 0.073 -0.906 -4.836 1.00 0.00 N ATOM 1134 CA ILE A 573 0.618 -2.205 -5.167 1.00 0.00 C ATOM 1135 C ILE A 573 1.602 -2.094 -6.320 1.00 0.00 C ATOM 1136 O ILE A 573 1.216 -1.735 -7.427 1.00 0.00 O ATOM 1137 CB ILE A 573 -0.488 -3.184 -5.609 1.00 0.00 C ATOM 1138 CG1 ILE A 573 -1.748 -3.054 -4.744 1.00 0.00 C ATOM 1139 CG2 ILE A 573 0.039 -4.611 -5.598 1.00 0.00 C ATOM 1140 CD1 ILE A 573 -1.528 -3.312 -3.273 1.00 0.00 C ATOM 0 H ILE A 573 -0.697 -0.612 -5.437 1.00 0.00 H new ATOM 0 HA ILE A 573 1.110 -2.575 -4.267 1.00 0.00 H new ATOM 0 HB ILE A 573 -0.776 -2.925 -6.628 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -2.155 -2.051 -4.867 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -2.500 -3.751 -5.113 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -0.751 -5.293 -5.912 1.00 0.00 H new ATOM 0 HG22 ILE A 573 0.882 -4.693 -6.284 1.00 0.00 H new ATOM 0 HG23 ILE A 573 0.364 -4.871 -4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -2.471 -3.198 -2.739 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -1.152 -4.326 -3.134 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -0.802 -2.599 -2.883 1.00 0.00 H new ATOM 1152 N GLY A 574 2.862 -2.395 -6.061 1.00 0.00 N ATOM 1153 CA GLY A 574 3.830 -2.478 -7.135 1.00 0.00 C ATOM 1154 C GLY A 574 3.735 -3.809 -7.851 1.00 0.00 C ATOM 1155 O GLY A 574 3.323 -4.806 -7.252 1.00 0.00 O ATOM 0 H GLY A 574 3.233 -2.583 -5.130 1.00 0.00 H new ATOM 0 HA2 GLY A 574 3.662 -1.667 -7.844 1.00 0.00 H new ATOM 0 HA3 GLY A 574 4.835 -2.348 -6.734 1.00 0.00 H new ATOM 1159 N ASP A 575 4.135 -3.834 -9.114 1.00 0.00 N ATOM 1160 CA ASP A 575 3.930 -4.998 -9.971 1.00 0.00 C ATOM 1161 C ASP A 575 4.940 -6.111 -9.686 1.00 0.00 C ATOM 1162 O ASP A 575 4.781 -7.234 -10.167 1.00 0.00 O ATOM 1163 CB ASP A 575 3.996 -4.585 -11.444 1.00 0.00 C ATOM 1164 CG ASP A 575 5.403 -4.287 -11.924 1.00 0.00 C ATOM 1165 OD1 ASP A 575 6.095 -3.468 -11.291 1.00 0.00 O1- ATOM 1166 OD2 ASP A 575 5.813 -4.868 -12.956 1.00 0.00 O ATOM 0 H ASP A 575 4.608 -3.055 -9.573 1.00 0.00 H new ATOM 0 HA ASP A 575 2.940 -5.396 -9.750 1.00 0.00 H new ATOM 0 HB2 ASP A 575 3.572 -5.381 -12.056 1.00 0.00 H new ATOM 0 HB3 ASP A 575 3.374 -3.702 -11.594 1.00 0.00 H new ATOM 1171 N GLU A 576 5.975 -5.799 -8.916 1.00 0.00 N ATOM 1172 CA GLU A 576 6.933 -6.798 -8.476 1.00 0.00 C ATOM 1173 C GLU A 576 7.537 -6.393 -7.151 1.00 0.00 C ATOM 1174 O GLU A 576 7.221 -5.324 -6.629 1.00 0.00 O ATOM 1175 CB GLU A 576 8.031 -7.019 -9.515 1.00 0.00 C ATOM 1176 CG GLU A 576 8.906 -5.806 -9.767 1.00 0.00 C ATOM 1177 CD GLU A 576 10.104 -6.146 -10.626 1.00 0.00 C ATOM 1178 OE1 GLU A 576 11.148 -6.545 -10.065 1.00 0.00 O ATOM 1179 OE2 GLU A 576 10.001 -6.056 -11.865 1.00 0.00 O1- ATOM 0 H GLU A 576 6.171 -4.855 -8.583 1.00 0.00 H new ATOM 0 HA GLU A 576 6.400 -7.741 -8.352 1.00 0.00 H new ATOM 0 HB2 GLU A 576 8.662 -7.846 -9.189 1.00 0.00 H new ATOM 0 HB3 GLU A 576 7.570 -7.321 -10.455 1.00 0.00 H new ATOM 0 HG2 GLU A 576 8.318 -5.029 -10.255 1.00 0.00 H new ATOM 0 HG3 GLU A 576 9.245 -5.399 -8.815 1.00 0.00 H new ATOM 1186 N ILE A 577 8.399 -7.240 -6.603 1.00 0.00 N ATOM 1187 CA ILE A 577 8.906 -7.015 -5.266 1.00 0.00 C ATOM 1188 C ILE A 577 10.142 -6.122 -5.278 1.00 0.00 C ATOM 1189 O ILE A 577 11.158 -6.455 -5.891 1.00 0.00 O ATOM 1190 CB ILE A 577 9.256 -8.335 -4.545 1.00 0.00 C ATOM 1191 CG1 ILE A 577 8.090 -9.314 -4.631 1.00 0.00 C ATOM 1192 CG2 ILE A 577 9.612 -8.065 -3.090 1.00 0.00 C ATOM 1193 CD1 ILE A 577 8.399 -10.678 -4.062 1.00 0.00 C ATOM 0 H ILE A 577 8.755 -8.078 -7.062 1.00 0.00 H new ATOM 0 HA ILE A 577 8.102 -6.518 -4.722 1.00 0.00 H new ATOM 0 HB ILE A 577 10.120 -8.780 -5.039 1.00 0.00 H new ATOM 0 HG12 ILE A 577 7.235 -8.894 -4.101 1.00 0.00 H new ATOM 0 HG13 ILE A 577 7.796 -9.424 -5.675 1.00 0.00 H new ATOM 0 HG21 ILE A 577 9.856 -9.005 -2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 577 10.472 -7.396 -3.044 1.00 0.00 H new ATOM 0 HG23 ILE A 577 8.763 -7.600 -2.588 1.00 0.00 H new ATOM 0 HD11 ILE A 577 7.523 -11.319 -4.158 1.00 0.00 H new ATOM 0 HD12 ILE A 577 9.233 -11.119 -4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 577 8.664 -10.582 -3.009 1.00 0.00 H new ATOM 1205 N LEU A 578 10.041 -4.992 -4.601 1.00 0.00 N ATOM 1206 CA LEU A 578 11.169 -4.101 -4.410 1.00 0.00 C ATOM 1207 C LEU A 578 11.397 -3.936 -2.916 1.00 0.00 C ATOM 1208 O LEU A 578 10.693 -3.180 -2.248 1.00 0.00 O ATOM 1209 CB LEU A 578 10.897 -2.747 -5.077 1.00 0.00 C ATOM 1210 CG LEU A 578 12.134 -1.927 -5.465 1.00 0.00 C ATOM 1211 CD1 LEU A 578 11.731 -0.766 -6.355 1.00 0.00 C ATOM 1212 CD2 LEU A 578 12.868 -1.410 -4.235 1.00 0.00 C ATOM 0 H LEU A 578 9.176 -4.668 -4.169 1.00 0.00 H new ATOM 0 HA LEU A 578 12.063 -4.520 -4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 578 10.304 -2.920 -5.975 1.00 0.00 H new ATOM 0 HB3 LEU A 578 10.286 -2.148 -4.402 1.00 0.00 H new ATOM 0 HG LEU A 578 12.813 -2.583 -6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 578 12.616 -0.190 -6.625 1.00 0.00 H new ATOM 0 HD12 LEU A 578 11.257 -1.148 -7.259 1.00 0.00 H new ATOM 0 HD13 LEU A 578 11.030 -0.125 -5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 578 13.739 -0.833 -4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 578 12.201 -0.774 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 578 13.191 -2.252 -3.623 1.00 0.00 H new ATOM 1224 N VAL A 579 12.358 -4.673 -2.391 1.00 0.00 N ATOM 1225 CA VAL A 579 12.590 -4.718 -0.954 1.00 0.00 C ATOM 1226 C VAL A 579 13.312 -3.472 -0.455 1.00 0.00 C ATOM 1227 O VAL A 579 13.836 -2.686 -1.246 1.00 0.00 O ATOM 1228 CB VAL A 579 13.396 -5.968 -0.558 1.00 0.00 C ATOM 1229 CG1 VAL A 579 12.567 -7.219 -0.794 1.00 0.00 C ATOM 1230 CG2 VAL A 579 14.711 -6.036 -1.322 1.00 0.00 C ATOM 0 H VAL A 579 12.995 -5.252 -2.939 1.00 0.00 H new ATOM 0 HA VAL A 579 11.608 -4.761 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 579 13.635 -5.903 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 579 13.146 -8.098 -0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 579 11.659 -7.173 -0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 579 12.300 -7.285 -1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 579 15.260 -6.929 -1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 579 14.508 -6.076 -2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 579 15.308 -5.151 -1.099 1.00 0.00 H new ATOM 1240 N SER A 580 13.342 -3.313 0.864 1.00 0.00 N ATOM 1241 CA SER A 580 13.971 -2.160 1.501 1.00 0.00 C ATOM 1242 C SER A 580 15.439 -2.029 1.096 1.00 0.00 C ATOM 1243 O SER A 580 15.953 -0.920 0.925 1.00 0.00 O ATOM 1244 CB SER A 580 13.849 -2.275 3.020 1.00 0.00 C ATOM 1245 OG SER A 580 14.400 -1.150 3.682 1.00 0.00 O ATOM 0 H SER A 580 12.932 -3.977 1.521 1.00 0.00 H new ATOM 0 HA SER A 580 13.453 -1.262 1.164 1.00 0.00 H new ATOM 0 HB2 SER A 580 12.799 -2.378 3.293 1.00 0.00 H new ATOM 0 HB3 SER A 580 14.356 -3.179 3.357 1.00 0.00 H new ATOM 0 HG SER A 580 14.302 -1.260 4.651 1.00 0.00 H new ATOM 1251 N GLY A 581 16.103 -3.164 0.908 1.00 0.00 N ATOM 1252 CA GLY A 581 17.497 -3.148 0.508 1.00 0.00 C ATOM 1253 C GLY A 581 17.684 -2.649 -0.915 1.00 0.00 C ATOM 1254 O GLY A 581 18.812 -2.408 -1.353 1.00 0.00 O ATOM 0 H GLY A 581 15.701 -4.094 1.025 1.00 0.00 H new ATOM 0 HA2 GLY A 581 18.061 -2.512 1.190 1.00 0.00 H new ATOM 0 HA3 GLY A 581 17.909 -4.153 0.595 1.00 0.00 H new ATOM 1258 N GLY A 582 16.576 -2.498 -1.632 1.00 0.00 N ATOM 1259 CA GLY A 582 16.629 -2.027 -3.000 1.00 0.00 C ATOM 1260 C GLY A 582 16.158 -0.592 -3.141 1.00 0.00 C ATOM 1261 O GLY A 582 16.300 0.007 -4.206 1.00 0.00 O ATOM 0 H GLY A 582 15.637 -2.695 -1.286 1.00 0.00 H new ATOM 0 HA2 GLY A 582 17.651 -2.108 -3.369 1.00 0.00 H new ATOM 0 HA3 GLY A 582 16.012 -2.671 -3.626 1.00 0.00 H new ATOM 1265 N ILE A 583 15.592 -0.045 -2.065 1.00 0.00 N ATOM 1266 CA ILE A 583 15.122 1.338 -2.052 1.00 0.00 C ATOM 1267 C ILE A 583 16.294 2.295 -2.283 1.00 0.00 C ATOM 1268 O ILE A 583 16.193 3.236 -3.072 1.00 0.00 O ATOM 1269 CB ILE A 583 14.405 1.652 -0.713 1.00 0.00 C ATOM 1270 CG1 ILE A 583 13.224 0.697 -0.524 1.00 0.00 C ATOM 1271 CG2 ILE A 583 13.930 3.098 -0.643 1.00 0.00 C ATOM 1272 CD1 ILE A 583 12.533 0.845 0.813 1.00 0.00 C ATOM 0 H ILE A 583 15.448 -0.543 -1.187 1.00 0.00 H new ATOM 0 HA ILE A 583 14.404 1.475 -2.860 1.00 0.00 H new ATOM 0 HB ILE A 583 15.126 1.510 0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 583 12.499 0.868 -1.319 1.00 0.00 H new ATOM 0 HG13 ILE A 583 13.577 -0.329 -0.630 1.00 0.00 H new ATOM 0 HG21 ILE A 583 13.434 3.272 0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 583 14.786 3.767 -0.735 1.00 0.00 H new ATOM 0 HG23 ILE A 583 13.230 3.291 -1.456 1.00 0.00 H new ATOM 0 HD11 ILE A 583 11.707 0.137 0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 583 13.244 0.645 1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 583 12.149 1.860 0.914 1.00 0.00 H new ATOM 1284 N GLY A 584 17.407 2.029 -1.599 1.00 0.00 N ATOM 1285 CA GLY A 584 18.649 2.752 -1.838 1.00 0.00 C ATOM 1286 C GLY A 584 18.536 4.249 -1.621 1.00 0.00 C ATOM 1287 O GLY A 584 18.610 4.723 -0.490 1.00 0.00 O ATOM 0 H GLY A 584 17.470 1.315 -0.873 1.00 0.00 H new ATOM 0 HA2 GLY A 584 19.422 2.356 -1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 584 18.976 2.566 -2.861 1.00 0.00 H new ATOM 1291 N ALA A 585 18.373 4.988 -2.708 1.00 0.00 N ATOM 1292 CA ALA A 585 18.264 6.439 -2.646 1.00 0.00 C ATOM 1293 C ALA A 585 16.938 6.892 -3.239 1.00 0.00 C ATOM 1294 O ALA A 585 16.182 7.629 -2.608 1.00 0.00 O ATOM 1295 CB ALA A 585 19.424 7.088 -3.382 1.00 0.00 C ATOM 0 H ALA A 585 18.313 4.604 -3.651 1.00 0.00 H new ATOM 0 HA ALA A 585 18.302 6.748 -1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 585 19.329 8.172 -3.327 1.00 0.00 H new ATOM 0 HB2 ALA A 585 20.364 6.782 -2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 585 19.413 6.775 -4.426 1.00 0.00 H new ATOM 1301 N LEU A 586 16.671 6.450 -4.461 1.00 0.00 N ATOM 1302 CA LEU A 586 15.391 6.685 -5.112 1.00 0.00 C ATOM 1303 C LEU A 586 15.242 5.710 -6.272 1.00 0.00 C ATOM 1304 O LEU A 586 15.917 5.838 -7.292 1.00 0.00 O ATOM 1305 CB LEU A 586 15.286 8.138 -5.609 1.00 0.00 C ATOM 1306 CG LEU A 586 13.862 8.655 -5.868 1.00 0.00 C ATOM 1307 CD1 LEU A 586 13.875 10.169 -5.998 1.00 0.00 C ATOM 1308 CD2 LEU A 586 13.254 8.035 -7.122 1.00 0.00 C ATOM 0 H LEU A 586 17.334 5.920 -5.027 1.00 0.00 H new ATOM 0 HA LEU A 586 14.587 6.525 -4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 586 15.760 8.789 -4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 586 15.859 8.229 -6.532 1.00 0.00 H new ATOM 0 HG LEU A 586 13.245 8.364 -5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 586 12.862 10.527 -6.181 1.00 0.00 H new ATOM 0 HD12 LEU A 586 14.255 10.610 -5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 586 14.518 10.457 -6.830 1.00 0.00 H new ATOM 0 HD21 LEU A 586 12.247 8.426 -7.270 1.00 0.00 H new ATOM 0 HD22 LEU A 586 13.870 8.283 -7.986 1.00 0.00 H new ATOM 0 HD23 LEU A 586 13.209 6.952 -7.007 1.00 0.00 H new ATOM 1320 N VAL A 587 14.371 4.729 -6.101 1.00 0.00 N ATOM 1321 CA VAL A 587 14.128 3.723 -7.124 1.00 0.00 C ATOM 1322 C VAL A 587 12.642 3.647 -7.424 1.00 0.00 C ATOM 1323 O VAL A 587 11.819 3.537 -6.513 1.00 0.00 O ATOM 1324 CB VAL A 587 14.642 2.327 -6.704 1.00 0.00 C ATOM 1325 CG1 VAL A 587 14.354 1.298 -7.792 1.00 0.00 C ATOM 1326 CG2 VAL A 587 16.132 2.384 -6.404 1.00 0.00 C ATOM 0 H VAL A 587 13.815 4.607 -5.255 1.00 0.00 H new ATOM 0 HA VAL A 587 14.678 4.023 -8.016 1.00 0.00 H new ATOM 0 HB VAL A 587 14.116 2.022 -5.799 1.00 0.00 H new ATOM 0 HG11 VAL A 587 14.724 0.322 -7.477 1.00 0.00 H new ATOM 0 HG12 VAL A 587 13.279 1.241 -7.963 1.00 0.00 H new ATOM 0 HG13 VAL A 587 14.853 1.594 -8.714 1.00 0.00 H new ATOM 0 HG21 VAL A 587 16.482 1.395 -6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 587 16.670 2.709 -7.294 1.00 0.00 H new ATOM 0 HG23 VAL A 587 16.313 3.089 -5.593 1.00 0.00 H new ATOM 1336 N ARG A 588 12.298 3.718 -8.696 1.00 0.00 N ATOM 1337 CA ARG A 588 10.905 3.734 -9.095 1.00 0.00 C ATOM 1338 C ARG A 588 10.420 2.356 -9.496 1.00 0.00 C ATOM 1339 O ARG A 588 11.028 1.669 -10.319 1.00 0.00 O ATOM 1340 CB ARG A 588 10.672 4.736 -10.224 1.00 0.00 C ATOM 1341 CG ARG A 588 11.621 4.584 -11.402 1.00 0.00 C ATOM 1342 CD ARG A 588 11.453 5.723 -12.389 1.00 0.00 C ATOM 1343 NE ARG A 588 11.518 7.021 -11.724 1.00 0.00 N ATOM 1344 CZ ARG A 588 12.424 7.955 -11.998 1.00 0.00 C ATOM 1345 NH1 ARG A 588 13.394 7.710 -12.877 1.00 0.00 N1+ ATOM 1346 NH2 ARG A 588 12.380 9.121 -11.367 1.00 0.00 N ATOM 0 H ARG A 588 12.963 3.765 -9.468 1.00 0.00 H new ATOM 0 HA ARG A 588 10.324 4.049 -8.228 1.00 0.00 H new ATOM 0 HB2 ARG A 588 9.648 4.631 -10.582 1.00 0.00 H new ATOM 0 HB3 ARG A 588 10.767 5.745 -9.824 1.00 0.00 H new ATOM 0 HG2 ARG A 588 12.650 4.559 -11.043 1.00 0.00 H new ATOM 0 HG3 ARG A 588 11.435 3.634 -11.903 1.00 0.00 H new ATOM 0 HD2 ARG A 588 12.231 5.664 -13.150 1.00 0.00 H new ATOM 0 HD3 ARG A 588 10.496 5.623 -12.902 1.00 0.00 H new ATOM 0 HE ARG A 588 10.825 7.224 -11.004 1.00 0.00 H new ATOM 0 HH11 ARG A 588 13.444 6.804 -13.342 1.00 0.00 H new ATOM 0 HH12 ARG A 588 14.087 8.429 -13.085 1.00 0.00 H new ATOM 0 HH21 ARG A 588 11.653 9.299 -10.674 1.00 0.00 H new ATOM 0 HH22 ARG A 588 13.073 9.840 -11.575 1.00 0.00 H new ATOM 1360 N LEU A 589 9.319 1.970 -8.892 1.00 0.00 N ATOM 1361 CA LEU A 589 8.683 0.699 -9.150 1.00 0.00 C ATOM 1362 C LEU A 589 7.276 0.949 -9.652 1.00 0.00 C ATOM 1363 O LEU A 589 6.543 1.731 -9.062 1.00 0.00 O ATOM 1364 CB LEU A 589 8.637 -0.106 -7.860 1.00 0.00 C ATOM 1365 CG LEU A 589 7.741 -1.340 -7.881 1.00 0.00 C ATOM 1366 CD1 LEU A 589 8.347 -2.430 -8.743 1.00 0.00 C ATOM 1367 CD2 LEU A 589 7.508 -1.835 -6.467 1.00 0.00 C ATOM 0 H LEU A 589 8.834 2.539 -8.198 1.00 0.00 H new ATOM 0 HA LEU A 589 9.243 0.142 -9.901 1.00 0.00 H new ATOM 0 HB2 LEU A 589 9.651 -0.420 -7.613 1.00 0.00 H new ATOM 0 HB3 LEU A 589 8.302 0.550 -7.056 1.00 0.00 H new ATOM 0 HG LEU A 589 6.780 -1.067 -8.317 1.00 0.00 H new ATOM 0 HD11 LEU A 589 7.691 -3.300 -8.743 1.00 0.00 H new ATOM 0 HD12 LEU A 589 8.465 -2.064 -9.763 1.00 0.00 H new ATOM 0 HD13 LEU A 589 9.322 -2.710 -8.343 1.00 0.00 H new ATOM 0 HD21 LEU A 589 6.867 -2.716 -6.491 1.00 0.00 H new ATOM 0 HD22 LEU A 589 8.463 -2.093 -6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 589 7.026 -1.052 -5.882 1.00 0.00 H new ATOM 1379 N LYS A 590 6.897 0.296 -10.729 1.00 0.00 N ATOM 1380 CA LYS A 590 5.590 0.530 -11.309 1.00 0.00 C ATOM 1381 C LYS A 590 4.515 -0.168 -10.482 1.00 0.00 C ATOM 1382 O LYS A 590 4.779 -1.174 -9.828 1.00 0.00 O ATOM 1383 CB LYS A 590 5.555 0.057 -12.757 1.00 0.00 C ATOM 1384 CG LYS A 590 4.349 0.563 -13.523 1.00 0.00 C ATOM 1385 CD LYS A 590 4.472 0.256 -14.995 1.00 0.00 C ATOM 1386 CE LYS A 590 3.320 0.845 -15.788 1.00 0.00 C ATOM 1387 NZ LYS A 590 3.501 0.645 -17.248 1.00 0.00 N1+ ATOM 0 H LYS A 590 7.467 -0.394 -11.217 1.00 0.00 H new ATOM 0 HA LYS A 590 5.389 1.601 -11.300 1.00 0.00 H new ATOM 0 HB2 LYS A 590 6.463 0.387 -13.262 1.00 0.00 H new ATOM 0 HB3 LYS A 590 5.558 -1.033 -12.776 1.00 0.00 H new ATOM 0 HG2 LYS A 590 3.444 0.103 -13.127 1.00 0.00 H new ATOM 0 HG3 LYS A 590 4.249 1.639 -13.380 1.00 0.00 H new ATOM 0 HD2 LYS A 590 5.414 0.653 -15.372 1.00 0.00 H new ATOM 0 HD3 LYS A 590 4.500 -0.824 -15.141 1.00 0.00 H new ATOM 0 HE2 LYS A 590 2.385 0.383 -15.470 1.00 0.00 H new ATOM 0 HE3 LYS A 590 3.238 1.911 -15.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 2.695 1.060 -17.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 4.380 1.107 -17.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 3.554 -0.373 -17.455 1.00 0.00 H new ATOM 1401 N SER A 591 3.311 0.378 -10.507 1.00 0.00 N ATOM 1402 CA SER A 591 2.227 -0.136 -9.683 1.00 0.00 C ATOM 1403 C SER A 591 1.161 -0.797 -10.553 1.00 0.00 C ATOM 1404 O SER A 591 1.322 -0.912 -11.767 1.00 0.00 O ATOM 1405 CB SER A 591 1.593 1.008 -8.887 1.00 0.00 C ATOM 1406 OG SER A 591 0.916 1.891 -9.764 1.00 0.00 O ATOM 0 H SER A 591 3.058 1.177 -11.088 1.00 0.00 H new ATOM 0 HA SER A 591 2.636 -0.878 -8.998 1.00 0.00 H new ATOM 0 HB2 SER A 591 0.896 0.607 -8.151 1.00 0.00 H new ATOM 0 HB3 SER A 591 2.362 1.549 -8.336 1.00 0.00 H new ATOM 0 HG SER A 591 1.557 2.279 -10.396 1.00 0.00 H new ATOM 1412 N LEU A 592 0.058 -1.191 -9.932 1.00 0.00 N ATOM 1413 CA LEU A 592 -1.053 -1.794 -10.655 1.00 0.00 C ATOM 1414 C LEU A 592 -1.916 -0.729 -11.325 1.00 0.00 C ATOM 1415 O LEU A 592 -2.456 -0.961 -12.404 1.00 0.00 O ATOM 1416 CB LEU A 592 -1.941 -2.612 -9.723 1.00 0.00 C ATOM 1417 CG LEU A 592 -1.278 -3.772 -8.987 1.00 0.00 C ATOM 1418 CD1 LEU A 592 -2.326 -4.552 -8.217 1.00 0.00 C ATOM 1419 CD2 LEU A 592 -0.529 -4.682 -9.943 1.00 0.00 C ATOM 0 H LEU A 592 -0.092 -1.104 -8.927 1.00 0.00 H new ATOM 0 HA LEU A 592 -0.617 -2.446 -11.412 1.00 0.00 H new ATOM 0 HB2 LEU A 592 -2.367 -1.937 -8.981 1.00 0.00 H new ATOM 0 HB3 LEU A 592 -2.771 -3.010 -10.307 1.00 0.00 H new ATOM 0 HG LEU A 592 -0.548 -3.364 -8.288 1.00 0.00 H new ATOM 0 HD11 LEU A 592 -1.850 -5.380 -7.692 1.00 0.00 H new ATOM 0 HD12 LEU A 592 -2.811 -3.895 -7.495 1.00 0.00 H new ATOM 0 HD13 LEU A 592 -3.071 -4.942 -8.910 1.00 0.00 H new ATOM 0 HD21 LEU A 592 -0.069 -5.497 -9.384 1.00 0.00 H new ATOM 0 HD22 LEU A 592 -1.224 -5.091 -10.676 1.00 0.00 H new ATOM 0 HD23 LEU A 592 0.245 -4.112 -10.456 1.00 0.00 H new ATOM 1431 N GLN A 593 -2.078 0.420 -10.663 1.00 0.00 N ATOM 1432 CA GLN A 593 -2.899 1.510 -11.214 1.00 0.00 C ATOM 1433 C GLN A 593 -2.363 1.948 -12.572 1.00 0.00 C ATOM 1434 O GLN A 593 -3.113 2.376 -13.449 1.00 0.00 O ATOM 1435 CB GLN A 593 -2.924 2.709 -10.268 1.00 0.00 C ATOM 1436 CG GLN A 593 -3.771 3.863 -10.780 1.00 0.00 C ATOM 1437 CD GLN A 593 -3.608 5.132 -9.967 1.00 0.00 C ATOM 1438 OE1 GLN A 593 -2.749 5.960 -10.267 1.00 0.00 O ATOM 1439 NE2 GLN A 593 -4.421 5.296 -8.933 1.00 0.00 N ATOM 0 H GLN A 593 -1.659 0.622 -9.755 1.00 0.00 H new ATOM 0 HA GLN A 593 -3.915 1.133 -11.331 1.00 0.00 H new ATOM 0 HB2 GLN A 593 -3.306 2.390 -9.298 1.00 0.00 H new ATOM 0 HB3 GLN A 593 -1.904 3.059 -10.109 1.00 0.00 H new ATOM 0 HG2 GLN A 593 -3.506 4.067 -11.817 1.00 0.00 H new ATOM 0 HG3 GLN A 593 -4.820 3.567 -10.772 1.00 0.00 H new ATOM 0 HE21 GLN A 593 -5.121 4.586 -8.717 1.00 0.00 H new ATOM 0 HE22 GLN A 593 -4.347 6.132 -8.354 1.00 0.00 H new ATOM 1448 N GLY A 594 -1.063 1.823 -12.740 1.00 0.00 N ATOM 1449 CA GLY A 594 -0.486 1.937 -14.069 1.00 0.00 C ATOM 1450 C GLY A 594 0.622 2.961 -14.197 1.00 0.00 C ATOM 1451 O GLY A 594 1.099 3.213 -15.303 1.00 0.00 O ATOM 0 H GLY A 594 -0.394 1.646 -11.991 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -0.097 0.963 -14.365 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -1.279 2.191 -14.773 1.00 0.00 H new ATOM 1455 N ASP A 595 1.046 3.556 -13.099 1.00 0.00 N ATOM 1456 CA ASP A 595 2.190 4.451 -13.150 1.00 0.00 C ATOM 1457 C ASP A 595 3.259 3.978 -12.173 1.00 0.00 C ATOM 1458 O ASP A 595 3.149 2.883 -11.624 1.00 0.00 O ATOM 1459 CB ASP A 595 1.776 5.897 -12.866 1.00 0.00 C ATOM 1460 CG ASP A 595 2.795 6.887 -13.400 1.00 0.00 C ATOM 1461 OD1 ASP A 595 2.874 7.058 -14.635 1.00 0.00 O1- ATOM 1462 OD2 ASP A 595 3.539 7.472 -12.601 1.00 0.00 O ATOM 0 H ASP A 595 0.627 3.441 -12.176 1.00 0.00 H new ATOM 0 HA ASP A 595 2.606 4.429 -14.157 1.00 0.00 H new ATOM 0 HB2 ASP A 595 0.805 6.094 -13.320 1.00 0.00 H new ATOM 0 HB3 ASP A 595 1.660 6.038 -11.791 1.00 0.00 H new ATOM 1467 N LYS A 596 4.281 4.788 -11.958 1.00 0.00 N ATOM 1468 CA LYS A 596 5.434 4.375 -11.174 1.00 0.00 C ATOM 1469 C LYS A 596 5.401 4.991 -9.779 1.00 0.00 C ATOM 1470 O LYS A 596 4.998 6.144 -9.600 1.00 0.00 O ATOM 1471 CB LYS A 596 6.721 4.788 -11.892 1.00 0.00 C ATOM 1472 CG LYS A 596 6.857 6.294 -12.049 1.00 0.00 C ATOM 1473 CD LYS A 596 8.045 6.681 -12.907 1.00 0.00 C ATOM 1474 CE LYS A 596 8.197 8.192 -12.975 1.00 0.00 C ATOM 1475 NZ LYS A 596 6.931 8.855 -13.385 1.00 0.00 N1+ ATOM 0 H LYS A 596 4.336 5.741 -12.317 1.00 0.00 H new ATOM 0 HA LYS A 596 5.404 3.291 -11.068 1.00 0.00 H new ATOM 0 HB2 LYS A 596 7.578 4.407 -11.337 1.00 0.00 H new ATOM 0 HB3 LYS A 596 6.747 4.322 -12.877 1.00 0.00 H new ATOM 0 HG2 LYS A 596 5.946 6.694 -12.494 1.00 0.00 H new ATOM 0 HG3 LYS A 596 6.959 6.751 -11.065 1.00 0.00 H new ATOM 0 HD2 LYS A 596 8.953 6.238 -12.498 1.00 0.00 H new ATOM 0 HD3 LYS A 596 7.919 6.279 -13.912 1.00 0.00 H new ATOM 0 HE2 LYS A 596 8.507 8.571 -12.001 1.00 0.00 H new ATOM 0 HE3 LYS A 596 8.987 8.447 -13.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 596 7.126 9.842 -13.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 596 6.524 8.352 -14.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 596 6.257 8.835 -12.593 1.00 0.00 H new ATOM 1489 N LEU A 597 5.821 4.208 -8.797 1.00 0.00 N ATOM 1490 CA LEU A 597 5.948 4.684 -7.434 1.00 0.00 C ATOM 1491 C LEU A 597 7.341 5.246 -7.218 1.00 0.00 C ATOM 1492 O LEU A 597 8.336 4.523 -7.324 1.00 0.00 O ATOM 1493 CB LEU A 597 5.694 3.550 -6.432 1.00 0.00 C ATOM 1494 CG LEU A 597 4.319 2.895 -6.515 1.00 0.00 C ATOM 1495 CD1 LEU A 597 4.112 1.939 -5.349 1.00 0.00 C ATOM 1496 CD2 LEU A 597 3.236 3.954 -6.550 1.00 0.00 C ATOM 0 H LEU A 597 6.081 3.230 -8.924 1.00 0.00 H new ATOM 0 HA LEU A 597 5.204 5.464 -7.272 1.00 0.00 H new ATOM 0 HB2 LEU A 597 6.453 2.781 -6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 597 5.830 3.942 -5.424 1.00 0.00 H new ATOM 0 HG LEU A 597 4.260 2.317 -7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 597 3.126 1.481 -5.425 1.00 0.00 H new ATOM 0 HD12 LEU A 597 4.876 1.162 -5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 597 4.186 2.488 -4.411 1.00 0.00 H new ATOM 0 HD21 LEU A 597 2.259 3.474 -6.609 1.00 0.00 H new ATOM 0 HD22 LEU A 597 3.289 4.558 -5.645 1.00 0.00 H new ATOM 0 HD23 LEU A 597 3.380 4.593 -7.421 1.00 0.00 H new ATOM 1508 N GLU A 598 7.412 6.533 -6.926 1.00 0.00 N ATOM 1509 CA GLU A 598 8.684 7.184 -6.654 1.00 0.00 C ATOM 1510 C GLU A 598 9.077 6.937 -5.202 1.00 0.00 C ATOM 1511 O GLU A 598 8.623 7.643 -4.304 1.00 0.00 O ATOM 1512 CB GLU A 598 8.598 8.689 -6.935 1.00 0.00 C ATOM 1513 CG GLU A 598 8.382 9.041 -8.403 1.00 0.00 C ATOM 1514 CD GLU A 598 9.616 8.812 -9.260 1.00 0.00 C ATOM 1515 OE1 GLU A 598 10.530 9.670 -9.241 1.00 0.00 O1- ATOM 1516 OE2 GLU A 598 9.675 7.787 -9.962 1.00 0.00 O ATOM 0 H GLU A 598 6.602 7.150 -6.871 1.00 0.00 H new ATOM 0 HA GLU A 598 9.444 6.764 -7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 598 7.782 9.110 -6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 598 9.516 9.164 -6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 598 7.559 8.445 -8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 598 8.083 10.086 -8.479 1.00 0.00 H new ATOM 1523 N VAL A 599 9.878 5.898 -4.984 1.00 0.00 N ATOM 1524 CA VAL A 599 10.286 5.499 -3.652 1.00 0.00 C ATOM 1525 C VAL A 599 11.695 5.996 -3.346 1.00 0.00 C ATOM 1526 O VAL A 599 12.632 5.707 -4.086 1.00 0.00 O ATOM 1527 CB VAL A 599 10.239 3.966 -3.505 1.00 0.00 C ATOM 1528 CG1 VAL A 599 10.580 3.543 -2.086 1.00 0.00 C ATOM 1529 CG2 VAL A 599 8.875 3.435 -3.909 1.00 0.00 C ATOM 0 H VAL A 599 10.259 5.314 -5.728 1.00 0.00 H new ATOM 0 HA VAL A 599 9.590 5.947 -2.943 1.00 0.00 H new ATOM 0 HB VAL A 599 10.988 3.539 -4.172 1.00 0.00 H new ATOM 0 HG11 VAL A 599 10.539 2.456 -2.011 1.00 0.00 H new ATOM 0 HG12 VAL A 599 11.583 3.887 -1.835 1.00 0.00 H new ATOM 0 HG13 VAL A 599 9.862 3.982 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 599 8.860 2.351 -3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 599 8.109 3.875 -3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 599 8.676 3.697 -4.948 1.00 0.00 H new ATOM 1539 N SER A 600 11.850 6.741 -2.263 1.00 0.00 N ATOM 1540 CA SER A 600 13.141 7.319 -1.933 1.00 0.00 C ATOM 1541 C SER A 600 13.590 6.876 -0.545 1.00 0.00 C ATOM 1542 O SER A 600 12.785 6.399 0.244 1.00 0.00 O ATOM 1543 CB SER A 600 13.047 8.847 -2.017 1.00 0.00 C ATOM 1544 OG SER A 600 14.300 9.470 -1.792 1.00 0.00 O ATOM 0 H SER A 600 11.104 6.958 -1.603 1.00 0.00 H new ATOM 0 HA SER A 600 13.886 6.969 -2.647 1.00 0.00 H new ATOM 0 HB2 SER A 600 12.671 9.133 -2.999 1.00 0.00 H new ATOM 0 HB3 SER A 600 12.326 9.207 -1.283 1.00 0.00 H new ATOM 0 HG SER A 600 15.012 8.927 -2.191 1.00 0.00 H new ATOM 1550 N LEU A 601 14.876 7.007 -0.271 1.00 0.00 N ATOM 1551 CA LEU A 601 15.421 6.720 1.043 1.00 0.00 C ATOM 1552 C LEU A 601 16.516 7.725 1.365 1.00 0.00 C ATOM 1553 O LEU A 601 17.566 7.747 0.718 1.00 0.00 O ATOM 1554 CB LEU A 601 15.970 5.292 1.097 1.00 0.00 C ATOM 1555 CG LEU A 601 16.607 4.882 2.428 1.00 0.00 C ATOM 1556 CD1 LEU A 601 15.598 4.992 3.561 1.00 0.00 C ATOM 1557 CD2 LEU A 601 17.150 3.466 2.342 1.00 0.00 C ATOM 0 H LEU A 601 15.570 7.315 -0.952 1.00 0.00 H new ATOM 0 HA LEU A 601 14.628 6.804 1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 601 15.158 4.600 0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 601 16.713 5.176 0.308 1.00 0.00 H new ATOM 0 HG LEU A 601 17.434 5.561 2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 601 16.070 4.696 4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 601 15.249 6.022 3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 601 14.751 4.337 3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 601 17.599 3.190 3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 601 16.337 2.778 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 601 17.904 3.413 1.557 1.00 0.00 H new ATOM 1569 N LYS A 602 16.270 8.569 2.354 1.00 0.00 N ATOM 1570 CA LYS A 602 17.220 9.609 2.713 1.00 0.00 C ATOM 1571 C LYS A 602 17.390 9.675 4.223 1.00 0.00 C ATOM 1572 O LYS A 602 16.562 10.244 4.923 1.00 0.00 O ATOM 1573 CB LYS A 602 16.746 10.955 2.157 1.00 0.00 C ATOM 1574 CG LYS A 602 17.737 12.099 2.325 1.00 0.00 C ATOM 1575 CD LYS A 602 17.220 13.362 1.652 1.00 0.00 C ATOM 1576 CE LYS A 602 18.197 14.520 1.784 1.00 0.00 C ATOM 1577 NZ LYS A 602 17.705 15.737 1.086 1.00 0.00 N1+ ATOM 0 H LYS A 602 15.422 8.554 2.921 1.00 0.00 H new ATOM 0 HA LYS A 602 18.191 9.373 2.277 1.00 0.00 H new ATOM 0 HB2 LYS A 602 16.525 10.837 1.096 1.00 0.00 H new ATOM 0 HB3 LYS A 602 15.812 11.227 2.649 1.00 0.00 H new ATOM 0 HG2 LYS A 602 17.905 12.289 3.385 1.00 0.00 H new ATOM 0 HG3 LYS A 602 18.699 11.820 1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 602 17.037 13.161 0.596 1.00 0.00 H new ATOM 0 HD3 LYS A 602 16.264 13.643 2.094 1.00 0.00 H new ATOM 0 HE2 LYS A 602 18.355 14.744 2.839 1.00 0.00 H new ATOM 0 HE3 LYS A 602 19.163 14.230 1.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 602 18.397 16.505 1.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 602 17.578 15.530 0.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 602 16.795 16.029 1.496 1.00 0.00 H new ATOM 1591 N ASN A 603 18.467 9.071 4.708 1.00 0.00 N ATOM 1592 CA ASN A 603 18.773 9.027 6.137 1.00 0.00 C ATOM 1593 C ASN A 603 17.616 8.429 6.945 1.00 0.00 C ATOM 1594 O ASN A 603 16.931 9.127 7.693 1.00 0.00 O ATOM 1595 CB ASN A 603 19.149 10.414 6.675 1.00 0.00 C ATOM 1596 CG ASN A 603 19.663 10.358 8.105 1.00 0.00 C ATOM 1597 OD1 ASN A 603 20.214 9.346 8.543 1.00 0.00 O ATOM 1598 ND2 ASN A 603 19.515 11.454 8.829 1.00 0.00 N ATOM 0 H ASN A 603 19.155 8.597 4.124 1.00 0.00 H new ATOM 0 HA ASN A 603 19.637 8.374 6.257 1.00 0.00 H new ATOM 0 HB2 ASN A 603 19.912 10.855 6.034 1.00 0.00 H new ATOM 0 HB3 ASN A 603 18.278 11.067 6.630 1.00 0.00 H new ATOM 0 HD21 ASN A 603 19.863 11.483 9.787 1.00 0.00 H new ATOM 0 HD22 ASN A 603 19.053 12.271 8.429 1.00 0.00 H new ATOM 1605 N ASN A 604 17.375 7.139 6.725 1.00 0.00 N ATOM 1606 CA ASN A 604 16.440 6.349 7.520 1.00 0.00 C ATOM 1607 C ASN A 604 14.972 6.733 7.312 1.00 0.00 C ATOM 1608 O ASN A 604 14.104 6.272 8.055 1.00 0.00 O ATOM 1609 CB ASN A 604 16.799 6.425 9.002 1.00 0.00 C ATOM 1610 CG ASN A 604 18.080 5.687 9.340 1.00 0.00 C ATOM 1611 OD1 ASN A 604 18.062 4.485 9.599 1.00 0.00 O ATOM 1612 ND2 ASN A 604 19.196 6.401 9.362 1.00 0.00 N ATOM 0 H ASN A 604 17.828 6.608 5.982 1.00 0.00 H new ATOM 0 HA ASN A 604 16.541 5.323 7.166 1.00 0.00 H new ATOM 0 HB2 ASN A 604 16.901 7.471 9.292 1.00 0.00 H new ATOM 0 HB3 ASN A 604 15.981 6.009 9.590 1.00 0.00 H new ATOM 0 HD21 ASN A 604 20.082 5.955 9.600 1.00 0.00 H new ATOM 0 HD22 ASN A 604 19.169 7.396 9.141 1.00 0.00 H new ATOM 1619 N VAL A 605 14.679 7.556 6.318 1.00 0.00 N ATOM 1620 CA VAL A 605 13.292 7.818 5.962 1.00 0.00 C ATOM 1621 C VAL A 605 13.025 7.457 4.502 1.00 0.00 C ATOM 1622 O VAL A 605 13.749 7.881 3.596 1.00 0.00 O ATOM 1623 CB VAL A 605 12.873 9.275 6.251 1.00 0.00 C ATOM 1624 CG1 VAL A 605 13.613 10.234 5.354 1.00 0.00 C ATOM 1625 CG2 VAL A 605 11.367 9.447 6.109 1.00 0.00 C ATOM 0 H VAL A 605 15.370 8.048 5.751 1.00 0.00 H new ATOM 0 HA VAL A 605 12.678 7.179 6.597 1.00 0.00 H new ATOM 0 HB VAL A 605 13.140 9.505 7.283 1.00 0.00 H new ATOM 0 HG11 VAL A 605 13.301 11.254 5.576 1.00 0.00 H new ATOM 0 HG12 VAL A 605 14.685 10.137 5.524 1.00 0.00 H new ATOM 0 HG13 VAL A 605 13.389 10.005 4.312 1.00 0.00 H new ATOM 0 HG21 VAL A 605 11.098 10.482 6.318 1.00 0.00 H new ATOM 0 HG22 VAL A 605 11.066 9.192 5.093 1.00 0.00 H new ATOM 0 HG23 VAL A 605 10.858 8.790 6.814 1.00 0.00 H new ATOM 1635 N VAL A 606 12.006 6.635 4.288 1.00 0.00 N ATOM 1636 CA VAL A 606 11.618 6.222 2.949 1.00 0.00 C ATOM 1637 C VAL A 606 10.524 7.147 2.427 1.00 0.00 C ATOM 1638 O VAL A 606 9.623 7.517 3.174 1.00 0.00 O ATOM 1639 CB VAL A 606 11.110 4.760 2.930 1.00 0.00 C ATOM 1640 CG1 VAL A 606 10.822 4.300 1.508 1.00 0.00 C ATOM 1641 CG2 VAL A 606 12.111 3.827 3.601 1.00 0.00 C ATOM 0 H VAL A 606 11.431 6.240 5.032 1.00 0.00 H new ATOM 0 HA VAL A 606 12.498 6.283 2.309 1.00 0.00 H new ATOM 0 HB VAL A 606 10.178 4.725 3.494 1.00 0.00 H new ATOM 0 HG11 VAL A 606 10.467 3.270 1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 606 10.059 4.940 1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 606 11.734 4.360 0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 606 11.731 2.806 3.575 1.00 0.00 H new ATOM 0 HG22 VAL A 606 13.063 3.874 3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 606 12.256 4.133 4.637 1.00 0.00 H new ATOM 1651 N SER A 607 10.607 7.538 1.166 1.00 0.00 N ATOM 1652 CA SER A 607 9.603 8.415 0.588 1.00 0.00 C ATOM 1653 C SER A 607 8.978 7.820 -0.653 1.00 0.00 C ATOM 1654 O SER A 607 9.580 7.811 -1.712 1.00 0.00 O ATOM 1655 CB SER A 607 10.191 9.790 0.277 1.00 0.00 C ATOM 1656 OG SER A 607 10.815 10.341 1.425 1.00 0.00 O ATOM 0 H SER A 607 11.354 7.264 0.527 1.00 0.00 H new ATOM 0 HA SER A 607 8.816 8.530 1.333 1.00 0.00 H new ATOM 0 HB2 SER A 607 10.917 9.706 -0.532 1.00 0.00 H new ATOM 0 HB3 SER A 607 9.403 10.458 -0.070 1.00 0.00 H new ATOM 0 HG SER A 607 11.187 11.221 1.205 1.00 0.00 H new ATOM 1662 N VAL A 608 7.759 7.333 -0.511 1.00 0.00 N ATOM 1663 CA VAL A 608 7.033 6.768 -1.626 1.00 0.00 C ATOM 1664 C VAL A 608 5.870 7.679 -2.002 1.00 0.00 C ATOM 1665 O VAL A 608 4.978 7.930 -1.194 1.00 0.00 O ATOM 1666 CB VAL A 608 6.519 5.345 -1.304 1.00 0.00 C ATOM 1667 CG1 VAL A 608 5.661 5.337 -0.042 1.00 0.00 C ATOM 1668 CG2 VAL A 608 5.745 4.781 -2.485 1.00 0.00 C ATOM 0 H VAL A 608 7.251 7.319 0.373 1.00 0.00 H new ATOM 0 HA VAL A 608 7.717 6.689 -2.471 1.00 0.00 H new ATOM 0 HB VAL A 608 7.384 4.708 -1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 608 5.315 4.322 0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 608 6.253 5.691 0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 608 4.801 5.992 -0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 608 5.390 3.779 -2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 608 4.893 5.425 -2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 608 6.396 4.734 -3.358 1.00 0.00 H new ATOM 1678 N ASN A 609 5.914 8.210 -3.221 1.00 0.00 N ATOM 1679 CA ASN A 609 4.850 9.080 -3.730 1.00 0.00 C ATOM 1680 C ASN A 609 4.726 10.323 -2.842 1.00 0.00 C ATOM 1681 O ASN A 609 3.635 10.869 -2.663 1.00 0.00 O ATOM 1682 CB ASN A 609 3.517 8.312 -3.781 1.00 0.00 C ATOM 1683 CG ASN A 609 3.667 6.915 -4.341 1.00 0.00 C ATOM 1684 OD1 ASN A 609 2.812 6.019 -3.880 1.00 0.00 O flip ATOM 1685 ND2 ASN A 609 4.535 6.644 -5.170 1.00 0.00 N flip ATOM 0 H ASN A 609 6.677 8.054 -3.879 1.00 0.00 H new ATOM 0 HA ASN A 609 5.100 9.399 -4.742 1.00 0.00 H new ATOM 0 HB2 ASN A 609 3.098 8.253 -2.776 1.00 0.00 H new ATOM 0 HB3 ASN A 609 2.805 8.869 -4.391 1.00 0.00 H new ATOM 0 HD21 ASN A 609 5.173 7.370 -5.496 1.00 0.00 H new ATOM 0 HD22 ASN A 609 4.617 5.693 -5.531 1.00 0.00 H new ATOM 1692 N LYS A 610 5.887 10.753 -2.318 1.00 0.00 N ATOM 1693 CA LYS A 610 6.029 11.903 -1.402 1.00 0.00 C ATOM 1694 C LYS A 610 5.737 11.516 0.046 1.00 0.00 C ATOM 1695 O LYS A 610 6.054 12.269 0.970 1.00 0.00 O ATOM 1696 CB LYS A 610 5.143 13.097 -1.772 1.00 0.00 C ATOM 1697 CG LYS A 610 5.273 13.582 -3.205 1.00 0.00 C ATOM 1698 CD LYS A 610 4.516 14.889 -3.422 1.00 0.00 C ATOM 1699 CE LYS A 610 3.184 14.918 -2.674 1.00 0.00 C ATOM 1700 NZ LYS A 610 2.324 13.752 -2.999 1.00 0.00 N1+ ATOM 0 H LYS A 610 6.777 10.300 -2.524 1.00 0.00 H new ATOM 0 HA LYS A 610 7.071 12.207 -1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 610 4.103 12.827 -1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 610 5.379 13.925 -1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 610 6.326 13.725 -3.448 1.00 0.00 H new ATOM 0 HG3 LYS A 610 4.890 12.821 -3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 610 5.134 15.724 -3.091 1.00 0.00 H new ATOM 0 HD3 LYS A 610 4.335 15.029 -4.488 1.00 0.00 H new ATOM 0 HE2 LYS A 610 3.374 14.937 -1.601 1.00 0.00 H new ATOM 0 HE3 LYS A 610 2.653 15.837 -2.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 610 1.703 13.543 -2.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 610 1.744 13.971 -3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 610 2.922 12.925 -3.200 1.00 0.00 H new ATOM 1714 N GLU A 611 5.158 10.346 0.253 1.00 0.00 N ATOM 1715 CA GLU A 611 4.727 9.947 1.582 1.00 0.00 C ATOM 1716 C GLU A 611 5.829 9.174 2.293 1.00 0.00 C ATOM 1717 O GLU A 611 6.438 8.266 1.721 1.00 0.00 O ATOM 1718 CB GLU A 611 3.451 9.101 1.524 1.00 0.00 C ATOM 1719 CG GLU A 611 2.311 9.750 0.757 1.00 0.00 C ATOM 1720 CD GLU A 611 2.142 11.228 1.072 1.00 0.00 C ATOM 1721 OE1 GLU A 611 1.745 11.564 2.206 1.00 0.00 O1- ATOM 1722 OE2 GLU A 611 2.401 12.064 0.183 1.00 0.00 O ATOM 0 H GLU A 611 4.976 9.658 -0.478 1.00 0.00 H new ATOM 0 HA GLU A 611 4.510 10.856 2.144 1.00 0.00 H new ATOM 0 HB2 GLU A 611 3.685 8.141 1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 611 3.119 8.894 2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 611 2.487 9.631 -0.312 1.00 0.00 H new ATOM 0 HG3 GLU A 611 1.383 9.227 0.988 1.00 0.00 H new ATOM 1729 N PRO A 612 6.107 9.537 3.547 1.00 0.00 N ATOM 1730 CA PRO A 612 7.139 8.891 4.348 1.00 0.00 C ATOM 1731 C PRO A 612 6.704 7.522 4.861 1.00 0.00 C ATOM 1732 O PRO A 612 5.655 7.380 5.492 1.00 0.00 O ATOM 1733 CB PRO A 612 7.358 9.857 5.526 1.00 0.00 C ATOM 1734 CG PRO A 612 6.524 11.063 5.231 1.00 0.00 C ATOM 1735 CD PRO A 612 5.446 10.612 4.289 1.00 0.00 C ATOM 0 HA PRO A 612 8.040 8.707 3.763 1.00 0.00 H new ATOM 0 HB2 PRO A 612 7.060 9.397 6.468 1.00 0.00 H new ATOM 0 HB3 PRO A 612 8.410 10.124 5.621 1.00 0.00 H new ATOM 0 HG2 PRO A 612 6.095 11.472 6.146 1.00 0.00 H new ATOM 0 HG3 PRO A 612 7.127 11.852 4.782 1.00 0.00 H new ATOM 0 HD2 PRO A 612 4.564 10.256 4.821 1.00 0.00 H new ATOM 0 HD3 PRO A 612 5.118 11.417 3.632 1.00 0.00 H new ATOM 1743 N VAL A 613 7.516 6.517 4.579 1.00 0.00 N ATOM 1744 CA VAL A 613 7.284 5.181 5.095 1.00 0.00 C ATOM 1745 C VAL A 613 7.857 5.085 6.495 1.00 0.00 C ATOM 1746 O VAL A 613 8.988 5.505 6.744 1.00 0.00 O ATOM 1747 CB VAL A 613 7.927 4.094 4.206 1.00 0.00 C ATOM 1748 CG1 VAL A 613 7.526 2.698 4.658 1.00 0.00 C ATOM 1749 CG2 VAL A 613 7.560 4.306 2.746 1.00 0.00 C ATOM 0 H VAL A 613 8.346 6.603 3.992 1.00 0.00 H new ATOM 0 HA VAL A 613 6.208 5.008 5.104 1.00 0.00 H new ATOM 0 HB VAL A 613 9.009 4.181 4.309 1.00 0.00 H new ATOM 0 HG11 VAL A 613 7.996 1.957 4.011 1.00 0.00 H new ATOM 0 HG12 VAL A 613 7.852 2.541 5.686 1.00 0.00 H new ATOM 0 HG13 VAL A 613 6.442 2.594 4.601 1.00 0.00 H new ATOM 0 HG21 VAL A 613 8.024 3.529 2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 613 6.477 4.258 2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 613 7.916 5.283 2.420 1.00 0.00 H new ATOM 1759 N ALA A 614 7.074 4.537 7.396 1.00 0.00 N ATOM 1760 CA ALA A 614 7.477 4.425 8.783 1.00 0.00 C ATOM 1761 C ALA A 614 8.488 3.305 8.940 1.00 0.00 C ATOM 1762 O ALA A 614 9.622 3.535 9.360 1.00 0.00 O ATOM 1763 CB ALA A 614 6.268 4.182 9.673 1.00 0.00 C ATOM 0 H ALA A 614 6.148 4.159 7.193 1.00 0.00 H new ATOM 0 HA ALA A 614 7.941 5.362 9.090 1.00 0.00 H new ATOM 0 HB1 ALA A 614 6.591 4.101 10.711 1.00 0.00 H new ATOM 0 HB2 ALA A 614 5.570 5.014 9.574 1.00 0.00 H new ATOM 0 HB3 ALA A 614 5.775 3.257 9.373 1.00 0.00 H new ATOM 1769 N GLU A 615 8.071 2.095 8.589 1.00 0.00 N ATOM 1770 CA GLU A 615 8.939 0.932 8.690 1.00 0.00 C ATOM 1771 C GLU A 615 8.771 0.027 7.468 1.00 0.00 C ATOM 1772 O GLU A 615 7.778 -0.693 7.348 1.00 0.00 O ATOM 1773 CB GLU A 615 8.644 0.157 9.981 1.00 0.00 C ATOM 1774 CG GLU A 615 8.801 1.001 11.240 1.00 0.00 C ATOM 1775 CD GLU A 615 8.572 0.221 12.517 1.00 0.00 C ATOM 1776 OE1 GLU A 615 9.526 -0.430 12.993 1.00 0.00 O ATOM 1777 OE2 GLU A 615 7.452 0.274 13.065 1.00 0.00 O1- ATOM 0 H GLU A 615 7.137 1.895 8.232 1.00 0.00 H new ATOM 0 HA GLU A 615 9.973 1.274 8.721 1.00 0.00 H new ATOM 0 HB2 GLU A 615 7.627 -0.233 9.938 1.00 0.00 H new ATOM 0 HB3 GLU A 615 9.313 -0.702 10.042 1.00 0.00 H new ATOM 0 HG2 GLU A 615 9.803 1.429 11.259 1.00 0.00 H new ATOM 0 HG3 GLU A 615 8.099 1.834 11.200 1.00 0.00 H new ATOM 1784 N PRO A 616 9.712 0.104 6.511 1.00 0.00 N ATOM 1785 CA PRO A 616 9.712 -0.759 5.320 1.00 0.00 C ATOM 1786 C PRO A 616 10.113 -2.213 5.599 1.00 0.00 C ATOM 1787 O PRO A 616 10.571 -2.552 6.691 1.00 0.00 O ATOM 1788 CB PRO A 616 10.779 -0.103 4.434 1.00 0.00 C ATOM 1789 CG PRO A 616 11.718 0.503 5.409 1.00 0.00 C ATOM 1790 CD PRO A 616 10.834 1.070 6.475 1.00 0.00 C ATOM 0 HA PRO A 616 8.714 -0.828 4.888 1.00 0.00 H new ATOM 0 HB2 PRO A 616 11.278 -0.835 3.799 1.00 0.00 H new ATOM 0 HB3 PRO A 616 10.346 0.649 3.774 1.00 0.00 H new ATOM 0 HG2 PRO A 616 12.403 -0.241 5.815 1.00 0.00 H new ATOM 0 HG3 PRO A 616 12.328 1.278 4.945 1.00 0.00 H new ATOM 0 HD2 PRO A 616 11.346 1.133 7.435 1.00 0.00 H new ATOM 0 HD3 PRO A 616 10.495 2.076 6.228 1.00 0.00 H new ATOM 1798 N ASP A 617 9.893 -3.058 4.588 1.00 0.00 N ATOM 1799 CA ASP A 617 10.474 -4.404 4.509 1.00 0.00 C ATOM 1800 C ASP A 617 9.786 -5.410 5.429 1.00 0.00 C ATOM 1801 O ASP A 617 10.438 -6.222 6.084 1.00 0.00 O ATOM 1802 CB ASP A 617 11.974 -4.368 4.795 1.00 0.00 C ATOM 1803 CG ASP A 617 12.726 -5.455 4.050 1.00 0.00 C ATOM 1804 OD1 ASP A 617 12.932 -5.296 2.827 1.00 0.00 O1- ATOM 1805 OD2 ASP A 617 13.122 -6.460 4.680 1.00 0.00 O ATOM 0 H ASP A 617 9.300 -2.825 3.791 1.00 0.00 H new ATOM 0 HA ASP A 617 10.310 -4.745 3.487 1.00 0.00 H new ATOM 0 HB2 ASP A 617 12.373 -3.394 4.512 1.00 0.00 H new ATOM 0 HB3 ASP A 617 12.141 -4.482 5.866 1.00 0.00 H new ATOM 1810 N ILE A 618 8.466 -5.366 5.471 1.00 0.00 N ATOM 1811 CA ILE A 618 7.698 -6.430 6.089 1.00 0.00 C ATOM 1812 C ILE A 618 7.282 -7.413 5.009 1.00 0.00 C ATOM 1813 O ILE A 618 6.265 -7.228 4.346 1.00 0.00 O ATOM 1814 CB ILE A 618 6.446 -5.894 6.803 1.00 0.00 C ATOM 1815 CG1 ILE A 618 6.830 -4.771 7.761 1.00 0.00 C ATOM 1816 CG2 ILE A 618 5.733 -7.018 7.543 1.00 0.00 C ATOM 1817 CD1 ILE A 618 5.654 -4.200 8.521 1.00 0.00 C ATOM 0 H ILE A 618 7.905 -4.606 5.085 1.00 0.00 H new ATOM 0 HA ILE A 618 8.321 -6.915 6.840 1.00 0.00 H new ATOM 0 HB ILE A 618 5.760 -5.492 6.057 1.00 0.00 H new ATOM 0 HG12 ILE A 618 7.565 -5.147 8.473 1.00 0.00 H new ATOM 0 HG13 ILE A 618 7.311 -3.972 7.197 1.00 0.00 H new ATOM 0 HG21 ILE A 618 4.849 -6.621 8.043 1.00 0.00 H new ATOM 0 HG22 ILE A 618 5.433 -7.788 6.833 1.00 0.00 H new ATOM 0 HG23 ILE A 618 6.406 -7.450 8.284 1.00 0.00 H new ATOM 0 HD11 ILE A 618 6.000 -3.406 9.183 1.00 0.00 H new ATOM 0 HD12 ILE A 618 4.928 -3.794 7.817 1.00 0.00 H new ATOM 0 HD13 ILE A 618 5.186 -4.987 9.112 1.00 0.00 H new ATOM 1829 N MET A 619 8.087 -8.438 4.804 1.00 0.00 N ATOM 1830 CA MET A 619 7.898 -9.322 3.667 1.00 0.00 C ATOM 1831 C MET A 619 6.801 -10.347 3.910 1.00 0.00 C ATOM 1832 O MET A 619 6.711 -10.943 4.982 1.00 0.00 O ATOM 1833 CB MET A 619 9.203 -10.032 3.315 1.00 0.00 C ATOM 1834 CG MET A 619 10.312 -9.085 2.890 1.00 0.00 C ATOM 1835 SD MET A 619 11.680 -9.939 2.085 1.00 0.00 S ATOM 1836 CE MET A 619 10.848 -10.615 0.652 1.00 0.00 C ATOM 0 H MET A 619 8.874 -8.679 5.406 1.00 0.00 H new ATOM 0 HA MET A 619 7.588 -8.698 2.829 1.00 0.00 H new ATOM 0 HB2 MET A 619 9.538 -10.608 4.178 1.00 0.00 H new ATOM 0 HB3 MET A 619 9.015 -10.743 2.511 1.00 0.00 H new ATOM 0 HG2 MET A 619 9.905 -8.336 2.210 1.00 0.00 H new ATOM 0 HG3 MET A 619 10.685 -8.552 3.765 1.00 0.00 H new ATOM 0 HE1 MET A 619 11.475 -10.480 -0.230 1.00 0.00 H new ATOM 0 HE2 MET A 619 10.663 -11.678 0.807 1.00 0.00 H new ATOM 0 HE3 MET A 619 9.899 -10.099 0.505 1.00 0.00 H new ATOM 1846 N ALA A 620 5.972 -10.528 2.897 1.00 0.00 N ATOM 1847 CA ALA A 620 4.971 -11.577 2.884 1.00 0.00 C ATOM 1848 C ALA A 620 5.499 -12.736 2.060 1.00 0.00 C ATOM 1849 O ALA A 620 6.656 -12.727 1.641 1.00 0.00 O ATOM 1850 CB ALA A 620 3.664 -11.063 2.295 1.00 0.00 C ATOM 0 H ALA A 620 5.975 -9.949 2.058 1.00 0.00 H new ATOM 0 HA ALA A 620 4.771 -11.906 3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 620 2.925 -11.865 2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 620 3.296 -10.232 2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 620 3.834 -10.725 1.273 1.00 0.00 H new ATOM 1856 N THR A 621 4.662 -13.724 1.815 1.00 0.00 N ATOM 1857 CA THR A 621 5.070 -14.866 1.021 1.00 0.00 C ATOM 1858 C THR A 621 5.096 -14.526 -0.469 1.00 0.00 C ATOM 1859 O THR A 621 5.857 -15.113 -1.240 1.00 0.00 O ATOM 1860 CB THR A 621 4.140 -16.067 1.271 1.00 0.00 C ATOM 1861 OG1 THR A 621 2.776 -15.633 1.244 1.00 0.00 O ATOM 1862 CG2 THR A 621 4.444 -16.723 2.612 1.00 0.00 C ATOM 0 H THR A 621 3.700 -13.760 2.152 1.00 0.00 H new ATOM 0 HA THR A 621 6.081 -15.134 1.329 1.00 0.00 H new ATOM 0 HB THR A 621 4.308 -16.802 0.484 1.00 0.00 H new ATOM 0 HG1 THR A 621 2.537 -15.251 2.114 1.00 0.00 H new ATOM 0 HG21 THR A 621 3.773 -17.568 2.764 1.00 0.00 H new ATOM 0 HG22 THR A 621 5.476 -17.073 2.620 1.00 0.00 H new ATOM 0 HG23 THR A 621 4.301 -15.998 3.413 1.00 0.00 H new ATOM 1870 N ASN A 622 4.280 -13.557 -0.860 1.00 0.00 N ATOM 1871 CA ASN A 622 4.122 -13.206 -2.266 1.00 0.00 C ATOM 1872 C ASN A 622 4.584 -11.779 -2.552 1.00 0.00 C ATOM 1873 O ASN A 622 4.261 -11.215 -3.596 1.00 0.00 O ATOM 1874 CB ASN A 622 2.657 -13.357 -2.678 1.00 0.00 C ATOM 1875 CG ASN A 622 1.726 -12.445 -1.893 1.00 0.00 C ATOM 1876 OD1 ASN A 622 1.990 -12.093 -0.740 1.00 0.00 O ATOM 1877 ND2 ASN A 622 0.621 -12.070 -2.500 1.00 0.00 N ATOM 0 H ASN A 622 3.715 -12.998 -0.221 1.00 0.00 H new ATOM 0 HA ASN A 622 4.747 -13.885 -2.846 1.00 0.00 H new ATOM 0 HB2 ASN A 622 2.559 -13.139 -3.742 1.00 0.00 H new ATOM 0 HB3 ASN A 622 2.349 -14.393 -2.535 1.00 0.00 H new ATOM 0 HD21 ASN A 622 -0.048 -11.470 -2.017 1.00 0.00 H new ATOM 0 HD22 ASN A 622 0.433 -12.379 -3.454 1.00 0.00 H new ATOM 1884 N GLY A 623 5.332 -11.188 -1.632 1.00 0.00 N ATOM 1885 CA GLY A 623 5.801 -9.835 -1.844 1.00 0.00 C ATOM 1886 C GLY A 623 6.304 -9.182 -0.579 1.00 0.00 C ATOM 1887 O GLY A 623 6.675 -9.863 0.374 1.00 0.00 O ATOM 0 H GLY A 623 5.620 -11.616 -0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 623 6.601 -9.845 -2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 623 4.990 -9.236 -2.259 1.00 0.00 H new ATOM 1891 N VAL A 624 6.313 -7.862 -0.568 1.00 0.00 N ATOM 1892 CA VAL A 624 6.802 -7.111 0.576 1.00 0.00 C ATOM 1893 C VAL A 624 5.829 -5.985 0.939 1.00 0.00 C ATOM 1894 O VAL A 624 5.180 -5.405 0.066 1.00 0.00 O ATOM 1895 CB VAL A 624 8.211 -6.531 0.304 1.00 0.00 C ATOM 1896 CG1 VAL A 624 8.186 -5.543 -0.854 1.00 0.00 C ATOM 1897 CG2 VAL A 624 8.780 -5.885 1.558 1.00 0.00 C ATOM 0 H VAL A 624 5.986 -7.284 -1.342 1.00 0.00 H new ATOM 0 HA VAL A 624 6.873 -7.799 1.418 1.00 0.00 H new ATOM 0 HB VAL A 624 8.864 -7.357 0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 624 9.190 -5.153 -1.021 1.00 0.00 H new ATOM 0 HG12 VAL A 624 7.838 -6.048 -1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 624 7.512 -4.720 -0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 624 9.771 -5.484 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 624 8.124 -5.077 1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 624 8.854 -6.630 2.350 1.00 0.00 H new ATOM 1907 N VAL A 625 5.705 -5.714 2.231 1.00 0.00 N ATOM 1908 CA VAL A 625 4.843 -4.651 2.720 1.00 0.00 C ATOM 1909 C VAL A 625 5.670 -3.555 3.379 1.00 0.00 C ATOM 1910 O VAL A 625 6.675 -3.823 4.040 1.00 0.00 O ATOM 1911 CB VAL A 625 3.794 -5.190 3.726 1.00 0.00 C ATOM 1912 CG1 VAL A 625 3.013 -4.058 4.377 1.00 0.00 C ATOM 1913 CG2 VAL A 625 2.846 -6.138 3.017 1.00 0.00 C ATOM 0 H VAL A 625 6.197 -6.223 2.965 1.00 0.00 H new ATOM 0 HA VAL A 625 4.314 -4.237 1.862 1.00 0.00 H new ATOM 0 HB VAL A 625 4.323 -5.725 4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 625 2.287 -4.472 5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 625 3.700 -3.403 4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 625 2.492 -3.487 3.609 1.00 0.00 H new ATOM 0 HG21 VAL A 625 2.110 -6.515 3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 625 2.336 -5.608 2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 625 3.410 -6.973 2.601 1.00 0.00 H new ATOM 1923 N HIS A 626 5.252 -2.322 3.172 1.00 0.00 N ATOM 1924 CA HIS A 626 5.902 -1.175 3.787 1.00 0.00 C ATOM 1925 C HIS A 626 4.860 -0.342 4.524 1.00 0.00 C ATOM 1926 O HIS A 626 3.882 0.101 3.920 1.00 0.00 O ATOM 1927 CB HIS A 626 6.605 -0.320 2.728 1.00 0.00 C ATOM 1928 CG HIS A 626 7.568 -1.081 1.858 1.00 0.00 C ATOM 1929 ND1 HIS A 626 8.917 -1.215 2.117 1.00 0.00 N ATOM 1930 CD2 HIS A 626 7.341 -1.772 0.714 1.00 0.00 C ATOM 1931 CE1 HIS A 626 9.452 -1.972 1.147 1.00 0.00 C ATOM 1932 NE2 HIS A 626 8.537 -2.332 0.274 1.00 0.00 N ATOM 0 H HIS A 626 4.458 -2.085 2.577 1.00 0.00 H new ATOM 0 HA HIS A 626 6.654 -1.529 4.493 1.00 0.00 H new ATOM 0 HB2 HIS A 626 5.850 0.145 2.094 1.00 0.00 H new ATOM 0 HB3 HIS A 626 7.143 0.486 3.227 1.00 0.00 H new ATOM 0 HD2 HIS A 626 6.385 -1.872 0.222 1.00 0.00 H new ATOM 0 HE1 HIS A 626 10.494 -2.249 1.091 1.00 0.00 H new ATOM 0 HE2 HIS A 626 8.676 -2.906 -0.558 1.00 0.00 H new ATOM 1940 N VAL A 627 5.055 -0.148 5.825 1.00 0.00 N ATOM 1941 CA VAL A 627 4.086 0.577 6.640 1.00 0.00 C ATOM 1942 C VAL A 627 4.172 2.080 6.405 1.00 0.00 C ATOM 1943 O VAL A 627 5.195 2.702 6.674 1.00 0.00 O ATOM 1944 CB VAL A 627 4.286 0.302 8.148 1.00 0.00 C ATOM 1945 CG1 VAL A 627 3.346 1.164 8.983 1.00 0.00 C ATOM 1946 CG2 VAL A 627 4.078 -1.170 8.455 1.00 0.00 C ATOM 0 H VAL A 627 5.872 -0.481 6.336 1.00 0.00 H new ATOM 0 HA VAL A 627 3.103 0.217 6.336 1.00 0.00 H new ATOM 0 HB VAL A 627 5.311 0.565 8.410 1.00 0.00 H new ATOM 0 HG11 VAL A 627 3.504 0.954 10.041 1.00 0.00 H new ATOM 0 HG12 VAL A 627 3.548 2.217 8.788 1.00 0.00 H new ATOM 0 HG13 VAL A 627 2.313 0.938 8.718 1.00 0.00 H new ATOM 0 HG21 VAL A 627 4.223 -1.343 9.521 1.00 0.00 H new ATOM 0 HG22 VAL A 627 3.066 -1.461 8.175 1.00 0.00 H new ATOM 0 HG23 VAL A 627 4.796 -1.765 7.890 1.00 0.00 H new ATOM 1956 N ILE A 628 3.090 2.653 5.915 1.00 0.00 N ATOM 1957 CA ILE A 628 2.986 4.095 5.780 1.00 0.00 C ATOM 1958 C ILE A 628 1.837 4.618 6.612 1.00 0.00 C ATOM 1959 O ILE A 628 0.789 3.981 6.719 1.00 0.00 O ATOM 1960 CB ILE A 628 2.776 4.552 4.321 1.00 0.00 C ATOM 1961 CG1 ILE A 628 1.965 3.520 3.541 1.00 0.00 C ATOM 1962 CG2 ILE A 628 4.101 4.831 3.644 1.00 0.00 C ATOM 1963 CD1 ILE A 628 1.602 3.957 2.141 1.00 0.00 C ATOM 0 H ILE A 628 2.266 2.140 5.602 1.00 0.00 H new ATOM 0 HA ILE A 628 3.936 4.500 6.128 1.00 0.00 H new ATOM 0 HB ILE A 628 2.209 5.483 4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 628 2.534 2.592 3.485 1.00 0.00 H new ATOM 0 HG13 ILE A 628 1.050 3.300 4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 628 3.925 5.151 2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 628 4.627 5.618 4.184 1.00 0.00 H new ATOM 0 HG23 ILE A 628 4.707 3.925 3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 628 1.027 3.171 1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 628 1.005 4.868 2.187 1.00 0.00 H new ATOM 0 HD13 ILE A 628 2.512 4.148 1.572 1.00 0.00 H new ATOM 1975 N THR A 629 2.042 5.774 7.201 1.00 0.00 N ATOM 1976 CA THR A 629 1.004 6.423 7.966 1.00 0.00 C ATOM 1977 C THR A 629 0.291 7.448 7.097 1.00 0.00 C ATOM 1978 O THR A 629 -0.544 8.218 7.571 1.00 0.00 O ATOM 1979 CB THR A 629 1.589 7.093 9.219 1.00 0.00 C ATOM 1980 OG1 THR A 629 2.664 7.967 8.847 1.00 0.00 O ATOM 1981 CG2 THR A 629 2.099 6.046 10.193 1.00 0.00 C ATOM 0 H THR A 629 2.924 6.286 7.164 1.00 0.00 H new ATOM 0 HA THR A 629 0.285 5.671 8.291 1.00 0.00 H new ATOM 0 HB THR A 629 0.801 7.670 9.703 1.00 0.00 H new ATOM 0 HG1 THR A 629 3.032 8.393 9.649 1.00 0.00 H new ATOM 0 HG21 THR A 629 2.510 6.538 11.074 1.00 0.00 H new ATOM 0 HG22 THR A 629 1.277 5.395 10.491 1.00 0.00 H new ATOM 0 HG23 THR A 629 2.877 5.452 9.714 1.00 0.00 H new ATOM 1989 N ASN A 630 0.631 7.445 5.809 1.00 0.00 N ATOM 1990 CA ASN A 630 -0.013 8.303 4.832 1.00 0.00 C ATOM 1991 C ASN A 630 -0.470 7.462 3.650 1.00 0.00 C ATOM 1992 O ASN A 630 0.197 6.500 3.284 1.00 0.00 O ATOM 1993 CB ASN A 630 0.953 9.383 4.336 1.00 0.00 C ATOM 1994 CG ASN A 630 1.192 10.497 5.341 1.00 0.00 C ATOM 1995 OD1 ASN A 630 1.095 10.305 6.552 1.00 0.00 O ATOM 1996 ND2 ASN A 630 1.526 11.672 4.839 1.00 0.00 N ATOM 0 H ASN A 630 1.360 6.847 5.420 1.00 0.00 H new ATOM 0 HA ASN A 630 -0.868 8.788 5.304 1.00 0.00 H new ATOM 0 HB2 ASN A 630 1.907 8.918 4.088 1.00 0.00 H new ATOM 0 HB3 ASN A 630 0.560 9.814 3.415 1.00 0.00 H new ATOM 0 HD21 ASN A 630 1.713 12.458 5.462 1.00 0.00 H new ATOM 0 HD22 ASN A 630 1.597 11.794 3.829 1.00 0.00 H new ATOM 2003 N VAL A 631 -1.612 7.805 3.067 1.00 0.00 N ATOM 2004 CA VAL A 631 -2.089 7.118 1.883 1.00 0.00 C ATOM 2005 C VAL A 631 -1.419 7.718 0.654 1.00 0.00 C ATOM 2006 O VAL A 631 -0.971 8.864 0.686 1.00 0.00 O ATOM 2007 CB VAL A 631 -3.624 7.199 1.775 1.00 0.00 C ATOM 2008 CG1 VAL A 631 -4.132 6.415 0.580 1.00 0.00 C ATOM 2009 CG2 VAL A 631 -4.268 6.682 3.048 1.00 0.00 C ATOM 0 H VAL A 631 -2.221 8.554 3.397 1.00 0.00 H new ATOM 0 HA VAL A 631 -1.828 6.062 1.952 1.00 0.00 H new ATOM 0 HB VAL A 631 -3.896 8.245 1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 631 -5.218 6.491 0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 631 -3.698 6.822 -0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 631 -3.846 5.368 0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 631 -5.353 6.745 2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 631 -3.977 5.644 3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 631 -3.938 7.286 3.894 1.00 0.00 H new ATOM 2019 N LEU A 632 -1.361 6.961 -0.426 1.00 0.00 N ATOM 2020 CA LEU A 632 -0.511 7.324 -1.539 1.00 0.00 C ATOM 2021 C LEU A 632 -1.259 8.165 -2.555 1.00 0.00 C ATOM 2022 O LEU A 632 -2.232 7.720 -3.161 1.00 0.00 O ATOM 2023 CB LEU A 632 0.066 6.070 -2.189 1.00 0.00 C ATOM 2024 CG LEU A 632 0.926 5.209 -1.256 1.00 0.00 C ATOM 2025 CD1 LEU A 632 1.456 3.986 -1.985 1.00 0.00 C ATOM 2026 CD2 LEU A 632 2.069 6.024 -0.664 1.00 0.00 C ATOM 0 H LEU A 632 -1.889 6.098 -0.554 1.00 0.00 H new ATOM 0 HA LEU A 632 0.311 7.930 -1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 632 -0.755 5.462 -2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 632 0.668 6.366 -3.048 1.00 0.00 H new ATOM 0 HG LEU A 632 0.295 4.867 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 632 2.063 3.391 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 632 0.620 3.386 -2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 632 2.066 4.303 -2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 632 2.664 5.391 -0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 632 2.699 6.405 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 632 1.663 6.860 -0.094 1.00 0.00 H new ATOM 2038 N GLN A 633 -0.791 9.391 -2.714 1.00 0.00 N ATOM 2039 CA GLN A 633 -1.353 10.330 -3.667 1.00 0.00 C ATOM 2040 C GLN A 633 -0.224 11.149 -4.283 1.00 0.00 C ATOM 2041 O GLN A 633 0.500 11.842 -3.570 1.00 0.00 O ATOM 2042 CB GLN A 633 -2.371 11.238 -2.969 1.00 0.00 C ATOM 2043 CG GLN A 633 -2.949 12.327 -3.862 1.00 0.00 C ATOM 2044 CD GLN A 633 -3.948 13.210 -3.137 1.00 0.00 C ATOM 2045 OE1 GLN A 633 -3.865 13.398 -1.924 1.00 0.00 O ATOM 2046 NE2 GLN A 633 -4.892 13.771 -3.880 1.00 0.00 N ATOM 0 H GLN A 633 -0.005 9.764 -2.182 1.00 0.00 H new ATOM 0 HA GLN A 633 -1.871 9.790 -4.459 1.00 0.00 H new ATOM 0 HB2 GLN A 633 -3.187 10.625 -2.588 1.00 0.00 H new ATOM 0 HB3 GLN A 633 -1.894 11.705 -2.107 1.00 0.00 H new ATOM 0 HG2 GLN A 633 -2.137 12.944 -4.247 1.00 0.00 H new ATOM 0 HG3 GLN A 633 -3.435 11.866 -4.722 1.00 0.00 H new ATOM 0 HE21 GLN A 633 -4.926 13.590 -4.883 1.00 0.00 H new ATOM 0 HE22 GLN A 633 -5.584 14.384 -3.448 1.00 0.00 H new ATOM 2055 N ALA A 634 -0.060 11.036 -5.594 1.00 0.00 N ATOM 2056 CA ALA A 634 1.033 11.700 -6.296 1.00 0.00 C ATOM 2057 C ALA A 634 0.899 13.216 -6.227 1.00 0.00 C ATOM 2058 O ALA A 634 -0.030 13.756 -6.854 1.00 0.00 O ATOM 2059 CB ALA A 634 1.090 11.240 -7.742 1.00 0.00 C ATOM 2060 OXT ALA A 634 1.731 13.853 -5.545 1.00 0.00 O1- ATOM 0 H ALA A 634 -0.673 10.488 -6.197 1.00 0.00 H new ATOM 0 HA ALA A 634 1.964 11.424 -5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 634 1.911 11.744 -8.252 1.00 0.00 H new ATOM 0 HB2 ALA A 634 1.250 10.162 -7.775 1.00 0.00 H new ATOM 0 HB3 ALA A 634 0.150 11.483 -8.238 1.00 0.00 H new TER 2066 ALA A 634