USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 585 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 544 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 548 ASN : amide:sc= -0.719 K(o=-0.72,f=-2.1!) USER MOD Single : A 537 SER OG : rot -24:sc= 0.349 USER MOD Single : A 539 LYS NZ :NH3+ -163:sc= 1.23 (180deg=0.692) USER MOD Single : A 540 ASN : amide:sc= -0.0114 K(o=-0.011,f=-1.5) USER MOD Single : A 545 TYR OH : rot -128:sc= -0.033 USER MOD Single : A 549 MET CE :methyl 141:sc= -0.926 (180deg=-2.92!) USER MOD Single : A 550 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.289) USER MOD Single : A 551 SER OG : rot 180:sc= 0 USER MOD Single : A 559 LYS NZ :NH3+ -160:sc= 0.98 (180deg=0.514) USER MOD Single : A 561 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 563 SER OG : rot 180:sc= 0 USER MOD Single : A 567 LYS NZ :NH3+ -173:sc= 0.537 (180deg=0.5) USER MOD Single : A 568 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0433) USER MOD Single : A 569 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.404) USER MOD Single : A 573 LYS NZ :NH3+ -144:sc= 0.79 (180deg=-1.03!) USER MOD Single : A 574 CYS SG : rot 61:sc= -3.56! USER MOD Single : A 575 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.0059) USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 584 ASN : amide:sc= -0.0193 K(o=-0.019,f=-3.2!) USER MOD Single : A 585 THR OG1 : rot 180:sc= -0.261 USER MOD Single : A 589 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 HIS : no HD1:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 595 LYS NZ :NH3+ -152:sc= 0.584 (180deg=-0.275!) USER MOD Single : A 597 LYS NZ :NH3+ -124:sc= 0.0658 (180deg=-0.0575) USER MOD Single : A 601 GLN : amide:sc=-0.00375 X(o=-0.0037,f=-0.00013) USER MOD Single : A 603 CYS SG : rot 165:sc= -3.1! USER MOD Single : A 604 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 608 SER OG : rot -23:sc= 0.0864 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 537 -14.678 -1.934 -7.895 1.00 0.00 N ATOM 2 CA SER A 537 -13.769 -1.176 -8.777 1.00 0.00 C ATOM 3 C SER A 537 -12.537 -0.695 -8.019 1.00 0.00 C ATOM 4 O SER A 537 -11.424 -1.161 -8.270 1.00 0.00 O ATOM 5 CB SER A 537 -14.505 0.013 -9.381 1.00 0.00 C ATOM 6 OG SER A 537 -15.266 0.696 -8.398 1.00 0.00 O ATOM 0 HA SER A 537 -13.437 -1.841 -9.574 1.00 0.00 H new ATOM 0 HB2 SER A 537 -13.787 0.699 -9.831 1.00 0.00 H new ATOM 0 HB3 SER A 537 -15.162 -0.330 -10.180 1.00 0.00 H new ATOM 0 HG SER A 537 -15.470 0.085 -7.660 1.00 0.00 H new ATOM 12 N ALA A 538 -12.745 0.229 -7.082 1.00 0.00 N ATOM 13 CA ALA A 538 -11.651 0.790 -6.298 1.00 0.00 C ATOM 14 C ALA A 538 -10.948 -0.290 -5.489 1.00 0.00 C ATOM 15 O ALA A 538 -9.770 -0.164 -5.179 1.00 0.00 O ATOM 16 CB ALA A 538 -12.158 1.885 -5.372 1.00 0.00 C ATOM 0 H ALA A 538 -13.664 0.604 -6.849 1.00 0.00 H new ATOM 0 HA ALA A 538 -10.933 1.223 -6.994 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -11.325 2.289 -4.797 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -12.611 2.681 -5.963 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -12.902 1.471 -4.691 1.00 0.00 H new ATOM 22 N LYS A 539 -11.672 -1.355 -5.164 1.00 0.00 N ATOM 23 CA LYS A 539 -11.100 -2.461 -4.402 1.00 0.00 C ATOM 24 C LYS A 539 -9.939 -3.081 -5.177 1.00 0.00 C ATOM 25 O LYS A 539 -8.893 -3.393 -4.606 1.00 0.00 O ATOM 26 CB LYS A 539 -12.185 -3.508 -4.100 1.00 0.00 C ATOM 27 CG LYS A 539 -11.829 -4.507 -3.004 1.00 0.00 C ATOM 28 CD LYS A 539 -10.929 -5.613 -3.519 1.00 0.00 C ATOM 29 CE LYS A 539 -10.687 -6.679 -2.461 1.00 0.00 C ATOM 30 NZ LYS A 539 -9.858 -7.802 -2.976 1.00 0.00 N ATOM 0 H LYS A 539 -12.653 -1.477 -5.415 1.00 0.00 H new ATOM 0 HA LYS A 539 -10.716 -2.086 -3.453 1.00 0.00 H new ATOM 0 HB2 LYS A 539 -13.100 -2.989 -3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 539 -12.403 -4.058 -5.015 1.00 0.00 H new ATOM 0 HG2 LYS A 539 -11.332 -3.986 -2.185 1.00 0.00 H new ATOM 0 HG3 LYS A 539 -12.742 -4.942 -2.598 1.00 0.00 H new ATOM 0 HD2 LYS A 539 -11.381 -6.070 -4.399 1.00 0.00 H new ATOM 0 HD3 LYS A 539 -9.975 -5.189 -3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 539 -10.192 -6.229 -1.600 1.00 0.00 H new ATOM 0 HE3 LYS A 539 -11.644 -7.066 -2.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 539 -9.954 -8.622 -2.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 539 -10.179 -8.061 -3.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 539 -8.861 -7.509 -3.014 1.00 0.00 H new ATOM 44 N ASN A 540 -10.121 -3.222 -6.483 1.00 0.00 N ATOM 45 CA ASN A 540 -9.092 -3.795 -7.345 1.00 0.00 C ATOM 46 C ASN A 540 -7.893 -2.866 -7.441 1.00 0.00 C ATOM 47 O ASN A 540 -6.749 -3.296 -7.290 1.00 0.00 O ATOM 48 CB ASN A 540 -9.650 -4.069 -8.743 1.00 0.00 C ATOM 49 CG ASN A 540 -10.627 -5.222 -8.772 1.00 0.00 C ATOM 50 OD1 ASN A 540 -11.229 -5.581 -7.762 1.00 0.00 O ATOM 51 ND2 ASN A 540 -10.816 -5.778 -9.948 1.00 0.00 N ATOM 0 H ASN A 540 -10.973 -2.947 -6.971 1.00 0.00 H new ATOM 0 HA ASN A 540 -8.771 -4.738 -6.903 1.00 0.00 H new ATOM 0 HB2 ASN A 540 -10.145 -3.171 -9.113 1.00 0.00 H new ATOM 0 HB3 ASN A 540 -8.825 -4.282 -9.423 1.00 0.00 H new ATOM 0 HD21 ASN A 540 -11.485 -6.541 -10.050 1.00 0.00 H new ATOM 0 HD22 ASN A 540 -10.293 -5.447 -10.759 1.00 0.00 H new ATOM 58 N ALA A 541 -8.165 -1.587 -7.676 1.00 0.00 N ATOM 59 CA ALA A 541 -7.111 -0.583 -7.767 1.00 0.00 C ATOM 60 C ALA A 541 -6.365 -0.466 -6.450 1.00 0.00 C ATOM 61 O ALA A 541 -5.145 -0.337 -6.428 1.00 0.00 O ATOM 62 CB ALA A 541 -7.690 0.768 -8.156 1.00 0.00 C ATOM 0 H ALA A 541 -9.108 -1.221 -7.807 1.00 0.00 H new ATOM 0 HA ALA A 541 -6.410 -0.901 -8.539 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -6.888 1.503 -8.219 1.00 0.00 H new ATOM 0 HB2 ALA A 541 -8.184 0.687 -9.124 1.00 0.00 H new ATOM 0 HB3 ALA A 541 -8.414 1.084 -7.405 1.00 0.00 H new ATOM 68 N LEU A 542 -7.106 -0.531 -5.354 1.00 0.00 N ATOM 69 CA LEU A 542 -6.532 -0.375 -4.031 1.00 0.00 C ATOM 70 C LEU A 542 -5.605 -1.531 -3.700 1.00 0.00 C ATOM 71 O LEU A 542 -4.483 -1.323 -3.234 1.00 0.00 O ATOM 72 CB LEU A 542 -7.643 -0.294 -2.990 1.00 0.00 C ATOM 73 CG LEU A 542 -7.450 0.783 -1.931 1.00 0.00 C ATOM 74 CD1 LEU A 542 -6.199 0.528 -1.110 1.00 0.00 C ATOM 75 CD2 LEU A 542 -7.372 2.138 -2.594 1.00 0.00 C ATOM 0 H LEU A 542 -8.113 -0.692 -5.358 1.00 0.00 H new ATOM 0 HA LEU A 542 -5.951 0.547 -4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 542 -8.589 -0.115 -3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 542 -7.727 -1.261 -2.494 1.00 0.00 H new ATOM 0 HG LEU A 542 -8.304 0.758 -1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 542 -6.088 1.313 -0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 542 -6.281 -0.438 -0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 542 -5.328 0.525 -1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 542 -7.234 2.907 -1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 542 -6.530 2.156 -3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 542 -8.295 2.329 -3.140 1.00 0.00 H new ATOM 87 N GLU A 543 -6.073 -2.747 -3.949 1.00 0.00 N ATOM 88 CA GLU A 543 -5.282 -3.924 -3.671 1.00 0.00 C ATOM 89 C GLU A 543 -4.034 -3.911 -4.516 1.00 0.00 C ATOM 90 O GLU A 543 -2.932 -4.122 -4.016 1.00 0.00 O ATOM 91 CB GLU A 543 -6.065 -5.188 -3.966 1.00 0.00 C ATOM 92 CG GLU A 543 -5.685 -6.322 -3.039 1.00 0.00 C ATOM 93 CD GLU A 543 -6.131 -7.668 -3.559 1.00 0.00 C ATOM 94 OE1 GLU A 543 -5.421 -8.249 -4.406 1.00 0.00 O ATOM 95 OE2 GLU A 543 -7.203 -8.147 -3.132 1.00 0.00 O ATOM 0 H GLU A 543 -6.995 -2.937 -4.342 1.00 0.00 H new ATOM 0 HA GLU A 543 -5.019 -3.912 -2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -7.131 -4.984 -3.870 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -5.890 -5.490 -4.999 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -4.604 -6.329 -2.903 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -6.129 -6.150 -2.058 1.00 0.00 H new ATOM 102 N SER A 544 -4.222 -3.653 -5.802 1.00 0.00 N ATOM 103 CA SER A 544 -3.106 -3.567 -6.721 1.00 0.00 C ATOM 104 C SER A 544 -2.133 -2.506 -6.239 1.00 0.00 C ATOM 105 O SER A 544 -0.949 -2.758 -6.157 1.00 0.00 O ATOM 106 CB SER A 544 -3.574 -3.235 -8.138 1.00 0.00 C ATOM 107 OG SER A 544 -2.778 -3.901 -9.106 1.00 0.00 O ATOM 0 H SER A 544 -5.136 -3.500 -6.228 1.00 0.00 H new ATOM 0 HA SER A 544 -2.612 -4.538 -6.750 1.00 0.00 H new ATOM 0 HB2 SER A 544 -4.618 -3.526 -8.258 1.00 0.00 H new ATOM 0 HB3 SER A 544 -3.523 -2.158 -8.299 1.00 0.00 H new ATOM 0 HG SER A 544 -3.098 -3.674 -10.004 1.00 0.00 H new ATOM 113 N TYR A 545 -2.656 -1.348 -5.851 1.00 0.00 N ATOM 114 CA TYR A 545 -1.823 -0.221 -5.442 1.00 0.00 C ATOM 115 C TYR A 545 -0.955 -0.616 -4.253 1.00 0.00 C ATOM 116 O TYR A 545 0.253 -0.370 -4.243 1.00 0.00 O ATOM 117 CB TYR A 545 -2.716 0.974 -5.065 1.00 0.00 C ATOM 118 CG TYR A 545 -1.985 2.294 -4.917 1.00 0.00 C ATOM 119 CD1 TYR A 545 -1.019 2.478 -3.938 1.00 0.00 C ATOM 120 CD2 TYR A 545 -2.269 3.358 -5.761 1.00 0.00 C ATOM 121 CE1 TYR A 545 -0.349 3.677 -3.807 1.00 0.00 C ATOM 122 CE2 TYR A 545 -1.606 4.566 -5.638 1.00 0.00 C ATOM 123 CZ TYR A 545 -0.645 4.720 -4.660 1.00 0.00 C ATOM 124 OH TYR A 545 0.027 5.914 -4.537 1.00 0.00 O ATOM 0 H TYR A 545 -3.658 -1.164 -5.811 1.00 0.00 H new ATOM 0 HA TYR A 545 -1.175 0.062 -6.272 1.00 0.00 H new ATOM 0 HB2 TYR A 545 -3.488 1.086 -5.826 1.00 0.00 H new ATOM 0 HB3 TYR A 545 -3.223 0.749 -4.127 1.00 0.00 H new ATOM 0 HD1 TYR A 545 -0.787 1.666 -3.265 1.00 0.00 H new ATOM 0 HD2 TYR A 545 -3.021 3.241 -6.527 1.00 0.00 H new ATOM 0 HE1 TYR A 545 0.403 3.798 -3.041 1.00 0.00 H new ATOM 0 HE2 TYR A 545 -1.839 5.384 -6.304 1.00 0.00 H new ATOM 0 HH TYR A 545 -0.619 6.649 -4.479 1.00 0.00 H new ATOM 134 N ALA A 546 -1.573 -1.242 -3.261 1.00 0.00 N ATOM 135 CA ALA A 546 -0.846 -1.707 -2.093 1.00 0.00 C ATOM 136 C ALA A 546 0.134 -2.808 -2.484 1.00 0.00 C ATOM 137 O ALA A 546 1.276 -2.829 -2.027 1.00 0.00 O ATOM 138 CB ALA A 546 -1.818 -2.186 -1.024 1.00 0.00 C ATOM 0 H ALA A 546 -2.574 -1.438 -3.244 1.00 0.00 H new ATOM 0 HA ALA A 546 -0.272 -0.878 -1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 546 -1.260 -2.532 -0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 546 -2.472 -1.364 -0.733 1.00 0.00 H new ATOM 0 HB3 ALA A 546 -2.419 -3.005 -1.419 1.00 0.00 H new ATOM 144 N PHE A 547 -0.312 -3.709 -3.354 1.00 0.00 N ATOM 145 CA PHE A 547 0.554 -4.747 -3.896 1.00 0.00 C ATOM 146 C PHE A 547 1.743 -4.120 -4.622 1.00 0.00 C ATOM 147 O PHE A 547 2.877 -4.561 -4.466 1.00 0.00 O ATOM 148 CB PHE A 547 -0.211 -5.646 -4.867 1.00 0.00 C ATOM 149 CG PHE A 547 -0.714 -6.929 -4.264 1.00 0.00 C ATOM 150 CD1 PHE A 547 -1.806 -6.932 -3.418 1.00 0.00 C ATOM 151 CD2 PHE A 547 -0.101 -8.134 -4.564 1.00 0.00 C ATOM 152 CE1 PHE A 547 -2.280 -8.113 -2.879 1.00 0.00 C ATOM 153 CE2 PHE A 547 -0.568 -9.318 -4.027 1.00 0.00 C ATOM 154 CZ PHE A 547 -1.659 -9.307 -3.183 1.00 0.00 C ATOM 0 H PHE A 547 -1.271 -3.740 -3.699 1.00 0.00 H new ATOM 0 HA PHE A 547 0.912 -5.351 -3.062 1.00 0.00 H new ATOM 0 HB2 PHE A 547 -1.059 -5.090 -5.266 1.00 0.00 H new ATOM 0 HB3 PHE A 547 0.438 -5.885 -5.709 1.00 0.00 H new ATOM 0 HD1 PHE A 547 -2.295 -6.000 -3.175 1.00 0.00 H new ATOM 0 HD2 PHE A 547 0.752 -8.148 -5.226 1.00 0.00 H new ATOM 0 HE1 PHE A 547 -3.136 -8.101 -2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 547 -0.080 -10.251 -4.268 1.00 0.00 H new ATOM 0 HZ PHE A 547 -2.026 -10.231 -2.761 1.00 0.00 H new ATOM 164 N ASN A 548 1.462 -3.085 -5.410 1.00 0.00 N ATOM 165 CA ASN A 548 2.477 -2.398 -6.200 1.00 0.00 C ATOM 166 C ASN A 548 3.570 -1.814 -5.311 1.00 0.00 C ATOM 167 O ASN A 548 4.754 -2.035 -5.563 1.00 0.00 O ATOM 168 CB ASN A 548 1.851 -1.284 -7.063 1.00 0.00 C ATOM 169 CG ASN A 548 1.149 -1.798 -8.320 1.00 0.00 C ATOM 170 OD1 ASN A 548 -0.071 -1.899 -8.377 1.00 0.00 O ATOM 171 ND2 ASN A 548 1.910 -2.134 -9.343 1.00 0.00 N ATOM 0 H ASN A 548 0.524 -2.700 -5.518 1.00 0.00 H new ATOM 0 HA ASN A 548 2.927 -3.139 -6.860 1.00 0.00 H new ATOM 0 HB2 ASN A 548 1.133 -0.729 -6.459 1.00 0.00 H new ATOM 0 HB3 ASN A 548 2.632 -0.582 -7.356 1.00 0.00 H new ATOM 0 HD21 ASN A 548 1.485 -2.485 -10.201 1.00 0.00 H new ATOM 0 HD22 ASN A 548 2.924 -2.043 -9.276 1.00 0.00 H new ATOM 178 N MET A 549 3.182 -1.088 -4.261 1.00 0.00 N ATOM 179 CA MET A 549 4.154 -0.477 -3.360 1.00 0.00 C ATOM 180 C MET A 549 4.926 -1.553 -2.612 1.00 0.00 C ATOM 181 O MET A 549 6.149 -1.489 -2.482 1.00 0.00 O ATOM 182 CB MET A 549 3.446 0.435 -2.362 1.00 0.00 C ATOM 183 CG MET A 549 2.510 1.452 -2.997 1.00 0.00 C ATOM 184 SD MET A 549 3.358 2.730 -3.950 1.00 0.00 S ATOM 185 CE MET A 549 3.584 1.899 -5.517 1.00 0.00 C ATOM 0 H MET A 549 2.208 -0.911 -4.017 1.00 0.00 H new ATOM 0 HA MET A 549 4.852 0.115 -3.952 1.00 0.00 H new ATOM 0 HB2 MET A 549 2.876 -0.181 -1.666 1.00 0.00 H new ATOM 0 HB3 MET A 549 4.197 0.966 -1.777 1.00 0.00 H new ATOM 0 HG2 MET A 549 1.810 0.930 -3.650 1.00 0.00 H new ATOM 0 HG3 MET A 549 1.920 1.928 -2.213 1.00 0.00 H new ATOM 0 HE1 MET A 549 3.422 2.606 -6.331 1.00 0.00 H new ATOM 0 HE2 MET A 549 4.598 1.504 -5.576 1.00 0.00 H new ATOM 0 HE3 MET A 549 2.870 1.080 -5.601 1.00 0.00 H new ATOM 195 N LYS A 550 4.190 -2.540 -2.130 1.00 0.00 N ATOM 196 CA LYS A 550 4.763 -3.685 -1.440 1.00 0.00 C ATOM 197 C LYS A 550 5.772 -4.418 -2.325 1.00 0.00 C ATOM 198 O LYS A 550 6.870 -4.750 -1.886 1.00 0.00 O ATOM 199 CB LYS A 550 3.619 -4.606 -0.998 1.00 0.00 C ATOM 200 CG LYS A 550 3.999 -6.048 -0.727 1.00 0.00 C ATOM 201 CD LYS A 550 2.904 -6.731 0.073 1.00 0.00 C ATOM 202 CE LYS A 550 3.078 -6.486 1.565 1.00 0.00 C ATOM 203 NZ LYS A 550 3.836 -7.593 2.209 1.00 0.00 N ATOM 0 H LYS A 550 3.173 -2.570 -2.206 1.00 0.00 H new ATOM 0 HA LYS A 550 5.314 -3.349 -0.562 1.00 0.00 H new ATOM 0 HB2 LYS A 550 3.173 -4.192 -0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 550 2.848 -4.592 -1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 550 4.156 -6.575 -1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 550 4.940 -6.088 -0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 550 1.930 -6.360 -0.248 1.00 0.00 H new ATOM 0 HD3 LYS A 550 2.919 -7.803 -0.126 1.00 0.00 H new ATOM 0 HE2 LYS A 550 3.602 -5.543 1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 550 2.100 -6.389 2.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 4.144 -7.297 3.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 3.225 -8.431 2.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 4.669 -7.826 1.631 1.00 0.00 H new ATOM 217 N SER A 551 5.399 -4.651 -3.571 1.00 0.00 N ATOM 218 CA SER A 551 6.269 -5.321 -4.523 1.00 0.00 C ATOM 219 C SER A 551 7.482 -4.460 -4.849 1.00 0.00 C ATOM 220 O SER A 551 8.572 -4.974 -5.071 1.00 0.00 O ATOM 221 CB SER A 551 5.491 -5.630 -5.805 1.00 0.00 C ATOM 222 OG SER A 551 6.229 -6.473 -6.674 1.00 0.00 O ATOM 0 H SER A 551 4.491 -4.383 -3.950 1.00 0.00 H new ATOM 0 HA SER A 551 6.619 -6.251 -4.076 1.00 0.00 H new ATOM 0 HB2 SER A 551 4.545 -6.108 -5.551 1.00 0.00 H new ATOM 0 HB3 SER A 551 5.250 -4.699 -6.318 1.00 0.00 H new ATOM 0 HG SER A 551 5.703 -6.651 -7.481 1.00 0.00 H new ATOM 228 N ALA A 552 7.276 -3.151 -4.910 1.00 0.00 N ATOM 229 CA ALA A 552 8.347 -2.223 -5.256 1.00 0.00 C ATOM 230 C ALA A 552 9.474 -2.261 -4.229 1.00 0.00 C ATOM 231 O ALA A 552 10.640 -2.331 -4.587 1.00 0.00 O ATOM 232 CB ALA A 552 7.805 -0.808 -5.401 1.00 0.00 C ATOM 0 H ALA A 552 6.377 -2.707 -4.724 1.00 0.00 H new ATOM 0 HA ALA A 552 8.760 -2.539 -6.214 1.00 0.00 H new ATOM 0 HB1 ALA A 552 8.619 -0.131 -5.659 1.00 0.00 H new ATOM 0 HB2 ALA A 552 7.051 -0.786 -6.188 1.00 0.00 H new ATOM 0 HB3 ALA A 552 7.356 -0.492 -4.460 1.00 0.00 H new ATOM 238 N VAL A 553 9.123 -2.238 -2.953 1.00 0.00 N ATOM 239 CA VAL A 553 10.123 -2.232 -1.891 1.00 0.00 C ATOM 240 C VAL A 553 10.728 -3.615 -1.691 1.00 0.00 C ATOM 241 O VAL A 553 11.913 -3.760 -1.393 1.00 0.00 O ATOM 242 CB VAL A 553 9.513 -1.739 -0.575 1.00 0.00 C ATOM 243 CG1 VAL A 553 8.993 -0.334 -0.772 1.00 0.00 C ATOM 244 CG2 VAL A 553 8.398 -2.660 -0.101 1.00 0.00 C ATOM 0 H VAL A 553 8.157 -2.223 -2.626 1.00 0.00 H new ATOM 0 HA VAL A 553 10.917 -1.549 -2.194 1.00 0.00 H new ATOM 0 HB VAL A 553 10.284 -1.742 0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 553 8.556 0.026 0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 553 9.814 0.320 -1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 553 8.233 -0.334 -1.553 1.00 0.00 H new ATOM 0 HG21 VAL A 553 7.987 -2.282 0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 553 7.611 -2.697 -0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 553 8.796 -3.662 0.057 1.00 0.00 H new ATOM 254 N GLU A 554 9.896 -4.626 -1.858 1.00 0.00 N ATOM 255 CA GLU A 554 10.313 -6.005 -1.716 1.00 0.00 C ATOM 256 C GLU A 554 10.906 -6.556 -3.014 1.00 0.00 C ATOM 257 O GLU A 554 11.226 -7.743 -3.115 1.00 0.00 O ATOM 258 CB GLU A 554 9.125 -6.828 -1.243 1.00 0.00 C ATOM 259 CG GLU A 554 9.201 -7.185 0.228 1.00 0.00 C ATOM 260 CD GLU A 554 10.196 -8.288 0.545 1.00 0.00 C ATOM 261 OE1 GLU A 554 11.409 -8.102 0.293 1.00 0.00 O ATOM 262 OE2 GLU A 554 9.772 -9.331 1.087 1.00 0.00 O ATOM 0 H GLU A 554 8.911 -4.512 -2.096 1.00 0.00 H new ATOM 0 HA GLU A 554 11.109 -6.065 -0.974 1.00 0.00 H new ATOM 0 HB2 GLU A 554 8.207 -6.271 -1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 554 9.067 -7.744 -1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 554 9.470 -6.293 0.794 1.00 0.00 H new ATOM 0 HG3 GLU A 554 8.212 -7.493 0.568 1.00 0.00 H new ATOM 269 N ASP A 555 11.029 -5.687 -4.007 1.00 0.00 N ATOM 270 CA ASP A 555 11.729 -6.014 -5.245 1.00 0.00 C ATOM 271 C ASP A 555 13.215 -6.149 -4.968 1.00 0.00 C ATOM 272 O ASP A 555 13.797 -5.330 -4.263 1.00 0.00 O ATOM 273 CB ASP A 555 11.509 -4.929 -6.299 1.00 0.00 C ATOM 274 CG ASP A 555 12.319 -5.158 -7.556 1.00 0.00 C ATOM 275 OD1 ASP A 555 11.833 -5.851 -8.472 1.00 0.00 O ATOM 276 OD2 ASP A 555 13.447 -4.643 -7.640 1.00 0.00 O ATOM 0 H ASP A 555 10.650 -4.741 -3.980 1.00 0.00 H new ATOM 0 HA ASP A 555 11.333 -6.956 -5.625 1.00 0.00 H new ATOM 0 HB2 ASP A 555 10.451 -4.889 -6.557 1.00 0.00 H new ATOM 0 HB3 ASP A 555 11.771 -3.959 -5.875 1.00 0.00 H new ATOM 281 N GLU A 556 13.826 -7.169 -5.542 1.00 0.00 N ATOM 282 CA GLU A 556 15.215 -7.496 -5.243 1.00 0.00 C ATOM 283 C GLU A 556 16.199 -6.471 -5.789 1.00 0.00 C ATOM 284 O GLU A 556 17.385 -6.500 -5.447 1.00 0.00 O ATOM 285 CB GLU A 556 15.563 -8.874 -5.766 1.00 0.00 C ATOM 286 CG GLU A 556 14.864 -9.983 -5.012 1.00 0.00 C ATOM 287 CD GLU A 556 15.338 -10.084 -3.575 1.00 0.00 C ATOM 288 OE1 GLU A 556 16.536 -10.353 -3.362 1.00 0.00 O ATOM 289 OE2 GLU A 556 14.521 -9.879 -2.653 1.00 0.00 O ATOM 0 H GLU A 556 13.384 -7.789 -6.220 1.00 0.00 H new ATOM 0 HA GLU A 556 15.306 -7.481 -4.157 1.00 0.00 H new ATOM 0 HB2 GLU A 556 15.296 -8.935 -6.821 1.00 0.00 H new ATOM 0 HB3 GLU A 556 16.641 -9.020 -5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 556 13.788 -9.808 -5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 556 15.040 -10.932 -5.519 1.00 0.00 H new ATOM 296 N GLY A 557 15.728 -5.571 -6.626 1.00 0.00 N ATOM 297 CA GLY A 557 16.594 -4.530 -7.119 1.00 0.00 C ATOM 298 C GLY A 557 16.349 -3.232 -6.395 1.00 0.00 C ATOM 299 O GLY A 557 17.285 -2.493 -6.084 1.00 0.00 O ATOM 0 H GLY A 557 14.769 -5.541 -6.972 1.00 0.00 H new ATOM 0 HA2 GLY A 557 17.635 -4.829 -6.994 1.00 0.00 H new ATOM 0 HA3 GLY A 557 16.429 -4.391 -8.187 1.00 0.00 H new ATOM 303 N LEU A 558 15.092 -2.975 -6.086 1.00 0.00 N ATOM 304 CA LEU A 558 14.709 -1.757 -5.391 1.00 0.00 C ATOM 305 C LEU A 558 14.958 -1.875 -3.894 1.00 0.00 C ATOM 306 O LEU A 558 14.972 -0.876 -3.177 1.00 0.00 O ATOM 307 CB LEU A 558 13.247 -1.434 -5.661 1.00 0.00 C ATOM 308 CG LEU A 558 12.975 -0.751 -7.001 1.00 0.00 C ATOM 309 CD1 LEU A 558 11.532 -0.968 -7.416 1.00 0.00 C ATOM 310 CD2 LEU A 558 13.276 0.737 -6.905 1.00 0.00 C ATOM 0 H LEU A 558 14.314 -3.596 -6.306 1.00 0.00 H new ATOM 0 HA LEU A 558 15.327 -0.943 -5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 558 12.672 -2.359 -5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 558 12.878 -0.792 -4.861 1.00 0.00 H new ATOM 0 HG LEU A 558 13.627 -1.191 -7.756 1.00 0.00 H new ATOM 0 HD11 LEU A 558 11.351 -0.477 -8.372 1.00 0.00 H new ATOM 0 HD12 LEU A 558 11.338 -2.036 -7.514 1.00 0.00 H new ATOM 0 HD13 LEU A 558 10.869 -0.547 -6.660 1.00 0.00 H new ATOM 0 HD21 LEU A 558 13.078 1.211 -7.866 1.00 0.00 H new ATOM 0 HD22 LEU A 558 12.643 1.188 -6.141 1.00 0.00 H new ATOM 0 HD23 LEU A 558 14.323 0.880 -6.639 1.00 0.00 H new ATOM 322 N LYS A 559 15.178 -3.100 -3.433 1.00 0.00 N ATOM 323 CA LYS A 559 15.459 -3.351 -2.026 1.00 0.00 C ATOM 324 C LYS A 559 16.779 -2.705 -1.610 1.00 0.00 C ATOM 325 O LYS A 559 17.005 -2.429 -0.433 1.00 0.00 O ATOM 326 CB LYS A 559 15.485 -4.858 -1.740 1.00 0.00 C ATOM 327 CG LYS A 559 16.536 -5.638 -2.525 1.00 0.00 C ATOM 328 CD LYS A 559 16.462 -7.128 -2.221 1.00 0.00 C ATOM 329 CE LYS A 559 16.353 -7.411 -0.734 1.00 0.00 C ATOM 330 NZ LYS A 559 16.081 -8.848 -0.470 1.00 0.00 N ATOM 0 H LYS A 559 15.167 -3.937 -4.015 1.00 0.00 H new ATOM 0 HA LYS A 559 14.660 -2.901 -1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 559 15.661 -5.009 -0.675 1.00 0.00 H new ATOM 0 HB3 LYS A 559 14.502 -5.273 -1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 559 16.390 -5.475 -3.593 1.00 0.00 H new ATOM 0 HG3 LYS A 559 17.529 -5.263 -2.278 1.00 0.00 H new ATOM 0 HD2 LYS A 559 15.602 -7.558 -2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 559 17.349 -7.621 -2.618 1.00 0.00 H new ATOM 0 HE2 LYS A 559 17.279 -7.118 -0.238 1.00 0.00 H new ATOM 0 HE3 LYS A 559 15.556 -6.804 -0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 559 15.683 -8.956 0.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 559 15.402 -9.207 -1.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 559 16.967 -9.387 -0.539 1.00 0.00 H new ATOM 344 N GLY A 560 17.645 -2.460 -2.587 1.00 0.00 N ATOM 345 CA GLY A 560 18.889 -1.768 -2.317 1.00 0.00 C ATOM 346 C GLY A 560 18.793 -0.294 -2.655 1.00 0.00 C ATOM 347 O GLY A 560 19.775 0.440 -2.569 1.00 0.00 O ATOM 0 H GLY A 560 17.507 -2.729 -3.561 1.00 0.00 H new ATOM 0 HA2 GLY A 560 19.150 -1.884 -1.265 1.00 0.00 H new ATOM 0 HA3 GLY A 560 19.692 -2.223 -2.897 1.00 0.00 H new ATOM 351 N LYS A 561 17.602 0.132 -3.054 1.00 0.00 N ATOM 352 CA LYS A 561 17.356 1.520 -3.413 1.00 0.00 C ATOM 353 C LYS A 561 16.575 2.226 -2.309 1.00 0.00 C ATOM 354 O LYS A 561 16.696 3.436 -2.112 1.00 0.00 O ATOM 355 CB LYS A 561 16.587 1.584 -4.726 1.00 0.00 C ATOM 356 CG LYS A 561 17.250 0.780 -5.823 1.00 0.00 C ATOM 357 CD LYS A 561 16.652 1.079 -7.177 1.00 0.00 C ATOM 358 CE LYS A 561 17.108 0.066 -8.208 1.00 0.00 C ATOM 359 NZ LYS A 561 16.621 0.392 -9.574 1.00 0.00 N ATOM 0 H LYS A 561 16.784 -0.472 -3.137 1.00 0.00 H new ATOM 0 HA LYS A 561 18.313 2.027 -3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 561 15.574 1.213 -4.569 1.00 0.00 H new ATOM 0 HB3 LYS A 561 16.500 2.623 -5.043 1.00 0.00 H new ATOM 0 HG2 LYS A 561 18.317 1.000 -5.840 1.00 0.00 H new ATOM 0 HG3 LYS A 561 17.147 -0.283 -5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 561 15.564 1.069 -7.108 1.00 0.00 H new ATOM 0 HD3 LYS A 561 16.942 2.081 -7.493 1.00 0.00 H new ATOM 0 HE2 LYS A 561 18.197 0.022 -8.214 1.00 0.00 H new ATOM 0 HE3 LYS A 561 16.751 -0.924 -7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 16.958 -0.329 -10.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 15.581 0.408 -9.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 16.983 1.325 -9.858 1.00 0.00 H new ATOM 373 N ILE A 562 15.772 1.458 -1.591 1.00 0.00 N ATOM 374 CA ILE A 562 14.984 1.987 -0.495 1.00 0.00 C ATOM 375 C ILE A 562 15.578 1.550 0.838 1.00 0.00 C ATOM 376 O ILE A 562 16.262 0.527 0.920 1.00 0.00 O ATOM 377 CB ILE A 562 13.515 1.523 -0.593 1.00 0.00 C ATOM 378 CG1 ILE A 562 12.642 2.332 0.351 1.00 0.00 C ATOM 379 CG2 ILE A 562 13.375 0.038 -0.290 1.00 0.00 C ATOM 380 CD1 ILE A 562 11.231 1.819 0.434 1.00 0.00 C ATOM 0 H ILE A 562 15.650 0.458 -1.751 1.00 0.00 H new ATOM 0 HA ILE A 562 15.005 3.075 -0.559 1.00 0.00 H new ATOM 0 HB ILE A 562 13.184 1.688 -1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 562 13.086 2.320 1.347 1.00 0.00 H new ATOM 0 HG13 ILE A 562 12.626 3.371 0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 562 12.327 -0.252 -0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 562 13.965 -0.536 -1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 562 13.732 -0.162 0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 562 10.658 2.439 1.124 1.00 0.00 H new ATOM 0 HD12 ILE A 562 10.772 1.856 -0.554 1.00 0.00 H new ATOM 0 HD13 ILE A 562 11.239 0.790 0.792 1.00 0.00 H new ATOM 392 N SER A 563 15.342 2.341 1.871 1.00 0.00 N ATOM 393 CA SER A 563 15.777 1.991 3.207 1.00 0.00 C ATOM 394 C SER A 563 14.846 0.932 3.785 1.00 0.00 C ATOM 395 O SER A 563 13.646 0.921 3.488 1.00 0.00 O ATOM 396 CB SER A 563 15.797 3.239 4.095 1.00 0.00 C ATOM 397 OG SER A 563 16.167 2.926 5.428 1.00 0.00 O ATOM 0 H SER A 563 14.850 3.232 1.807 1.00 0.00 H new ATOM 0 HA SER A 563 16.787 1.584 3.166 1.00 0.00 H new ATOM 0 HB2 SER A 563 16.496 3.967 3.684 1.00 0.00 H new ATOM 0 HB3 SER A 563 14.812 3.705 4.090 1.00 0.00 H new ATOM 0 HG SER A 563 16.171 3.744 5.967 1.00 0.00 H new ATOM 403 N GLU A 564 15.403 0.044 4.601 1.00 0.00 N ATOM 404 CA GLU A 564 14.637 -1.031 5.212 1.00 0.00 C ATOM 405 C GLU A 564 13.460 -0.483 5.991 1.00 0.00 C ATOM 406 O GLU A 564 12.379 -1.055 5.971 1.00 0.00 O ATOM 407 CB GLU A 564 15.528 -1.834 6.144 1.00 0.00 C ATOM 408 CG GLU A 564 16.767 -2.351 5.455 1.00 0.00 C ATOM 409 CD GLU A 564 16.453 -3.411 4.418 1.00 0.00 C ATOM 410 OE1 GLU A 564 15.940 -4.483 4.799 1.00 0.00 O ATOM 411 OE2 GLU A 564 16.734 -3.187 3.222 1.00 0.00 O ATOM 0 H GLU A 564 16.391 0.050 4.855 1.00 0.00 H new ATOM 0 HA GLU A 564 14.260 -1.674 4.417 1.00 0.00 H new ATOM 0 HB2 GLU A 564 15.819 -1.211 6.989 1.00 0.00 H new ATOM 0 HB3 GLU A 564 14.963 -2.674 6.547 1.00 0.00 H new ATOM 0 HG2 GLU A 564 17.286 -1.521 4.976 1.00 0.00 H new ATOM 0 HG3 GLU A 564 17.447 -2.765 6.199 1.00 0.00 H new ATOM 418 N ALA A 565 13.678 0.634 6.670 1.00 0.00 N ATOM 419 CA ALA A 565 12.625 1.254 7.469 1.00 0.00 C ATOM 420 C ALA A 565 11.421 1.608 6.606 1.00 0.00 C ATOM 421 O ALA A 565 10.278 1.364 6.993 1.00 0.00 O ATOM 422 CB ALA A 565 13.143 2.496 8.170 1.00 0.00 C ATOM 0 H ALA A 565 14.569 1.129 6.685 1.00 0.00 H new ATOM 0 HA ALA A 565 12.311 0.531 8.222 1.00 0.00 H new ATOM 0 HB1 ALA A 565 12.342 2.942 8.760 1.00 0.00 H new ATOM 0 HB2 ALA A 565 13.969 2.225 8.827 1.00 0.00 H new ATOM 0 HB3 ALA A 565 13.490 3.215 7.428 1.00 0.00 H new ATOM 428 N ASP A 566 11.682 2.159 5.426 1.00 0.00 N ATOM 429 CA ASP A 566 10.614 2.524 4.503 1.00 0.00 C ATOM 430 C ASP A 566 9.975 1.271 3.931 1.00 0.00 C ATOM 431 O ASP A 566 8.753 1.148 3.890 1.00 0.00 O ATOM 432 CB ASP A 566 11.142 3.387 3.356 1.00 0.00 C ATOM 433 CG ASP A 566 11.731 4.695 3.829 1.00 0.00 C ATOM 434 OD1 ASP A 566 10.964 5.638 4.098 1.00 0.00 O ATOM 435 OD2 ASP A 566 12.972 4.789 3.927 1.00 0.00 O ATOM 0 H ASP A 566 12.622 2.362 5.086 1.00 0.00 H new ATOM 0 HA ASP A 566 9.874 3.100 5.059 1.00 0.00 H new ATOM 0 HB2 ASP A 566 11.901 2.829 2.808 1.00 0.00 H new ATOM 0 HB3 ASP A 566 10.330 3.591 2.658 1.00 0.00 H new ATOM 440 N LYS A 567 10.822 0.348 3.495 1.00 0.00 N ATOM 441 CA LYS A 567 10.380 -0.929 2.965 1.00 0.00 C ATOM 442 C LYS A 567 9.475 -1.654 3.964 1.00 0.00 C ATOM 443 O LYS A 567 8.386 -2.103 3.618 1.00 0.00 O ATOM 444 CB LYS A 567 11.605 -1.788 2.660 1.00 0.00 C ATOM 445 CG LYS A 567 11.271 -3.154 2.114 1.00 0.00 C ATOM 446 CD LYS A 567 12.505 -4.031 2.014 1.00 0.00 C ATOM 447 CE LYS A 567 12.145 -5.405 1.492 1.00 0.00 C ATOM 448 NZ LYS A 567 13.310 -6.323 1.476 1.00 0.00 N ATOM 0 H LYS A 567 11.835 0.467 3.500 1.00 0.00 H new ATOM 0 HA LYS A 567 9.806 -0.755 2.055 1.00 0.00 H new ATOM 0 HB2 LYS A 567 12.235 -1.264 1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 567 12.191 -1.905 3.572 1.00 0.00 H new ATOM 0 HG2 LYS A 567 10.534 -3.634 2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 567 10.816 -3.052 1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 567 13.235 -3.565 1.352 1.00 0.00 H new ATOM 0 HD3 LYS A 567 12.974 -4.120 2.994 1.00 0.00 H new ATOM 0 HE2 LYS A 567 11.357 -5.832 2.112 1.00 0.00 H new ATOM 0 HE3 LYS A 567 11.743 -5.314 0.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 13.046 -7.211 1.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 14.096 -5.877 0.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 13.606 -6.526 2.452 1.00 0.00 H new ATOM 462 N LYS A 568 9.926 -1.731 5.208 1.00 0.00 N ATOM 463 CA LYS A 568 9.180 -2.403 6.266 1.00 0.00 C ATOM 464 C LYS A 568 7.848 -1.723 6.518 1.00 0.00 C ATOM 465 O LYS A 568 6.811 -2.386 6.596 1.00 0.00 O ATOM 466 CB LYS A 568 9.981 -2.418 7.566 1.00 0.00 C ATOM 467 CG LYS A 568 11.170 -3.358 7.546 1.00 0.00 C ATOM 468 CD LYS A 568 12.043 -3.168 8.774 1.00 0.00 C ATOM 469 CE LYS A 568 11.294 -3.476 10.063 1.00 0.00 C ATOM 470 NZ LYS A 568 10.929 -4.914 10.176 1.00 0.00 N ATOM 0 H LYS A 568 10.814 -1.332 5.513 1.00 0.00 H new ATOM 0 HA LYS A 568 9.001 -3.426 5.934 1.00 0.00 H new ATOM 0 HB2 LYS A 568 10.333 -1.408 7.776 1.00 0.00 H new ATOM 0 HB3 LYS A 568 9.320 -2.702 8.385 1.00 0.00 H new ATOM 0 HG2 LYS A 568 10.820 -4.389 7.502 1.00 0.00 H new ATOM 0 HG3 LYS A 568 11.760 -3.182 6.647 1.00 0.00 H new ATOM 0 HD2 LYS A 568 12.917 -3.815 8.700 1.00 0.00 H new ATOM 0 HD3 LYS A 568 12.408 -2.141 8.804 1.00 0.00 H new ATOM 0 HE2 LYS A 568 11.911 -3.192 10.915 1.00 0.00 H new ATOM 0 HE3 LYS A 568 10.389 -2.869 10.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 10.513 -5.094 11.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 10.238 -5.156 9.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 11.781 -5.499 10.058 1.00 0.00 H new ATOM 484 N LYS A 569 7.878 -0.396 6.632 1.00 0.00 N ATOM 485 CA LYS A 569 6.699 0.357 7.007 1.00 0.00 C ATOM 486 C LYS A 569 5.635 0.264 5.920 1.00 0.00 C ATOM 487 O LYS A 569 4.459 0.056 6.214 1.00 0.00 O ATOM 488 CB LYS A 569 7.066 1.822 7.301 1.00 0.00 C ATOM 489 CG LYS A 569 7.263 2.690 6.075 1.00 0.00 C ATOM 490 CD LYS A 569 7.809 4.050 6.458 1.00 0.00 C ATOM 491 CE LYS A 569 7.262 5.136 5.556 1.00 0.00 C ATOM 492 NZ LYS A 569 7.648 6.492 6.025 1.00 0.00 N ATOM 0 H LYS A 569 8.709 0.173 6.469 1.00 0.00 H new ATOM 0 HA LYS A 569 6.286 -0.076 7.918 1.00 0.00 H new ATOM 0 HB2 LYS A 569 6.281 2.261 7.917 1.00 0.00 H new ATOM 0 HB3 LYS A 569 7.982 1.840 7.892 1.00 0.00 H new ATOM 0 HG2 LYS A 569 7.949 2.200 5.384 1.00 0.00 H new ATOM 0 HG3 LYS A 569 6.314 2.809 5.552 1.00 0.00 H new ATOM 0 HD2 LYS A 569 7.550 4.270 7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 569 8.897 4.038 6.397 1.00 0.00 H new ATOM 0 HE2 LYS A 569 7.630 4.984 4.541 1.00 0.00 H new ATOM 0 HE3 LYS A 569 6.175 5.061 5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 569 6.862 7.153 5.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 569 7.866 6.459 7.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 569 8.487 6.815 5.501 1.00 0.00 H new ATOM 506 N VAL A 570 6.052 0.393 4.666 1.00 0.00 N ATOM 507 CA VAL A 570 5.121 0.328 3.558 1.00 0.00 C ATOM 508 C VAL A 570 4.587 -1.092 3.378 1.00 0.00 C ATOM 509 O VAL A 570 3.403 -1.273 3.135 1.00 0.00 O ATOM 510 CB VAL A 570 5.738 0.853 2.240 1.00 0.00 C ATOM 511 CG1 VAL A 570 6.868 -0.036 1.773 1.00 0.00 C ATOM 512 CG2 VAL A 570 4.672 0.976 1.164 1.00 0.00 C ATOM 0 H VAL A 570 7.024 0.542 4.397 1.00 0.00 H new ATOM 0 HA VAL A 570 4.287 0.985 3.805 1.00 0.00 H new ATOM 0 HB VAL A 570 6.151 1.843 2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 570 7.281 0.358 0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 570 7.647 -0.064 2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 570 6.491 -1.044 1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 570 5.124 1.347 0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 570 4.226 -0.001 0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 570 3.900 1.671 1.494 1.00 0.00 H new ATOM 522 N LEU A 571 5.453 -2.099 3.524 1.00 0.00 N ATOM 523 CA LEU A 571 5.026 -3.495 3.420 1.00 0.00 C ATOM 524 C LEU A 571 3.975 -3.816 4.474 1.00 0.00 C ATOM 525 O LEU A 571 2.951 -4.433 4.173 1.00 0.00 O ATOM 526 CB LEU A 571 6.210 -4.450 3.602 1.00 0.00 C ATOM 527 CG LEU A 571 7.162 -4.597 2.419 1.00 0.00 C ATOM 528 CD1 LEU A 571 8.479 -5.186 2.893 1.00 0.00 C ATOM 529 CD2 LEU A 571 6.552 -5.487 1.350 1.00 0.00 C ATOM 0 H LEU A 571 6.447 -1.974 3.713 1.00 0.00 H new ATOM 0 HA LEU A 571 4.603 -3.630 2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 571 6.788 -4.115 4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 571 5.816 -5.437 3.846 1.00 0.00 H new ATOM 0 HG LEU A 571 7.340 -3.612 1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 571 9.157 -5.290 2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 571 8.926 -4.526 3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 571 8.301 -6.165 3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 571 7.246 -5.580 0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 571 6.353 -6.474 1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 571 5.618 -5.047 0.999 1.00 0.00 H new ATOM 541 N ASP A 572 4.235 -3.392 5.707 1.00 0.00 N ATOM 542 CA ASP A 572 3.321 -3.651 6.815 1.00 0.00 C ATOM 543 C ASP A 572 2.003 -2.931 6.574 1.00 0.00 C ATOM 544 O ASP A 572 0.924 -3.505 6.731 1.00 0.00 O ATOM 545 CB ASP A 572 3.931 -3.186 8.139 1.00 0.00 C ATOM 546 CG ASP A 572 3.148 -3.685 9.339 1.00 0.00 C ATOM 547 OD1 ASP A 572 2.097 -3.099 9.664 1.00 0.00 O ATOM 548 OD2 ASP A 572 3.581 -4.675 9.964 1.00 0.00 O ATOM 0 H ASP A 572 5.071 -2.867 5.964 1.00 0.00 H new ATOM 0 HA ASP A 572 3.143 -4.725 6.874 1.00 0.00 H new ATOM 0 HB2 ASP A 572 4.960 -3.539 8.207 1.00 0.00 H new ATOM 0 HB3 ASP A 572 3.966 -2.097 8.158 1.00 0.00 H new ATOM 553 N LYS A 573 2.109 -1.676 6.167 1.00 0.00 N ATOM 554 CA LYS A 573 0.953 -0.863 5.844 1.00 0.00 C ATOM 555 C LYS A 573 0.175 -1.464 4.674 1.00 0.00 C ATOM 556 O LYS A 573 -1.053 -1.489 4.685 1.00 0.00 O ATOM 557 CB LYS A 573 1.417 0.557 5.527 1.00 0.00 C ATOM 558 CG LYS A 573 0.368 1.436 4.878 1.00 0.00 C ATOM 559 CD LYS A 573 -0.875 1.581 5.720 1.00 0.00 C ATOM 560 CE LYS A 573 -1.821 2.599 5.121 1.00 0.00 C ATOM 561 NZ LYS A 573 -3.076 2.713 5.918 1.00 0.00 N ATOM 0 H LYS A 573 3.001 -1.194 6.052 1.00 0.00 H new ATOM 0 HA LYS A 573 0.278 -0.835 6.699 1.00 0.00 H new ATOM 0 HB2 LYS A 573 1.748 1.031 6.451 1.00 0.00 H new ATOM 0 HB3 LYS A 573 2.284 0.503 4.869 1.00 0.00 H new ATOM 0 HG2 LYS A 573 0.792 2.423 4.691 1.00 0.00 H new ATOM 0 HG3 LYS A 573 0.098 1.017 3.909 1.00 0.00 H new ATOM 0 HD2 LYS A 573 -1.377 0.617 5.802 1.00 0.00 H new ATOM 0 HD3 LYS A 573 -0.601 1.885 6.730 1.00 0.00 H new ATOM 0 HE2 LYS A 573 -1.329 3.571 5.073 1.00 0.00 H new ATOM 0 HE3 LYS A 573 -2.063 2.314 4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 573 -3.880 2.876 5.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 573 -3.230 1.833 6.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 573 -2.995 3.510 6.581 1.00 0.00 H new ATOM 575 N CYS A 574 0.898 -1.954 3.674 1.00 0.00 N ATOM 576 CA CYS A 574 0.277 -2.599 2.524 1.00 0.00 C ATOM 577 C CYS A 574 -0.467 -3.867 2.951 1.00 0.00 C ATOM 578 O CYS A 574 -1.558 -4.148 2.469 1.00 0.00 O ATOM 579 CB CYS A 574 1.329 -2.914 1.457 1.00 0.00 C ATOM 580 SG CYS A 574 2.008 -1.451 0.640 1.00 0.00 S ATOM 0 H CYS A 574 1.917 -1.917 3.637 1.00 0.00 H new ATOM 0 HA CYS A 574 -0.451 -1.912 2.093 1.00 0.00 H new ATOM 0 HB2 CYS A 574 2.144 -3.471 1.919 1.00 0.00 H new ATOM 0 HB3 CYS A 574 0.884 -3.565 0.704 1.00 0.00 H new ATOM 0 HG CYS A 574 2.590 -0.693 1.521 1.00 0.00 H new ATOM 586 N GLN A 575 0.126 -4.613 3.873 1.00 0.00 N ATOM 587 CA GLN A 575 -0.524 -5.787 4.451 1.00 0.00 C ATOM 588 C GLN A 575 -1.781 -5.381 5.215 1.00 0.00 C ATOM 589 O GLN A 575 -2.804 -6.064 5.157 1.00 0.00 O ATOM 590 CB GLN A 575 0.449 -6.503 5.389 1.00 0.00 C ATOM 591 CG GLN A 575 1.049 -7.776 4.814 1.00 0.00 C ATOM 592 CD GLN A 575 0.055 -8.920 4.770 1.00 0.00 C ATOM 593 OE1 GLN A 575 -0.070 -9.683 5.729 1.00 0.00 O ATOM 594 NE2 GLN A 575 -0.643 -9.063 3.656 1.00 0.00 N ATOM 0 H GLN A 575 1.060 -4.427 4.240 1.00 0.00 H new ATOM 0 HA GLN A 575 -0.813 -6.462 3.645 1.00 0.00 H new ATOM 0 HB2 GLN A 575 1.257 -5.818 5.647 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -0.071 -6.746 6.316 1.00 0.00 H new ATOM 0 HG2 GLN A 575 1.415 -7.578 3.806 1.00 0.00 H new ATOM 0 HG3 GLN A 575 1.910 -8.071 5.414 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -0.511 -8.410 2.884 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -1.314 -9.826 3.569 1.00 0.00 H new ATOM 603 N GLU A 576 -1.692 -4.255 5.914 1.00 0.00 N ATOM 604 CA GLU A 576 -2.813 -3.711 6.675 1.00 0.00 C ATOM 605 C GLU A 576 -4.003 -3.440 5.765 1.00 0.00 C ATOM 606 O GLU A 576 -5.106 -3.940 5.994 1.00 0.00 O ATOM 607 CB GLU A 576 -2.389 -2.412 7.357 1.00 0.00 C ATOM 608 CG GLU A 576 -3.535 -1.650 7.998 1.00 0.00 C ATOM 609 CD GLU A 576 -3.375 -0.151 7.855 1.00 0.00 C ATOM 610 OE1 GLU A 576 -2.718 0.468 8.713 1.00 0.00 O ATOM 611 OE2 GLU A 576 -3.900 0.416 6.868 1.00 0.00 O ATOM 0 H GLU A 576 -0.842 -3.693 5.970 1.00 0.00 H new ATOM 0 HA GLU A 576 -3.108 -4.444 7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 576 -1.646 -2.640 8.121 1.00 0.00 H new ATOM 0 HB3 GLU A 576 -1.904 -1.769 6.622 1.00 0.00 H new ATOM 0 HG2 GLU A 576 -4.475 -1.959 7.541 1.00 0.00 H new ATOM 0 HG3 GLU A 576 -3.595 -1.908 9.055 1.00 0.00 H new ATOM 618 N VAL A 577 -3.770 -2.649 4.730 1.00 0.00 N ATOM 619 CA VAL A 577 -4.821 -2.299 3.790 1.00 0.00 C ATOM 620 C VAL A 577 -5.296 -3.517 3.006 1.00 0.00 C ATOM 621 O VAL A 577 -6.489 -3.694 2.807 1.00 0.00 O ATOM 622 CB VAL A 577 -4.376 -1.185 2.814 1.00 0.00 C ATOM 623 CG1 VAL A 577 -2.976 -1.425 2.306 1.00 0.00 C ATOM 624 CG2 VAL A 577 -5.325 -1.075 1.639 1.00 0.00 C ATOM 0 H VAL A 577 -2.861 -2.237 4.520 1.00 0.00 H new ATOM 0 HA VAL A 577 -5.653 -1.919 4.383 1.00 0.00 H new ATOM 0 HB VAL A 577 -4.392 -0.249 3.373 1.00 0.00 H new ATOM 0 HG11 VAL A 577 -2.695 -0.624 1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 577 -2.282 -1.445 3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 577 -2.938 -2.380 1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 577 -4.986 -0.284 0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 577 -5.347 -2.022 1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 577 -6.326 -0.840 2.001 1.00 0.00 H new ATOM 634 N ILE A 578 -4.367 -4.361 2.584 1.00 0.00 N ATOM 635 CA ILE A 578 -4.712 -5.545 1.809 1.00 0.00 C ATOM 636 C ILE A 578 -5.630 -6.485 2.601 1.00 0.00 C ATOM 637 O ILE A 578 -6.593 -7.034 2.051 1.00 0.00 O ATOM 638 CB ILE A 578 -3.437 -6.264 1.315 1.00 0.00 C ATOM 639 CG1 ILE A 578 -2.935 -5.572 0.044 1.00 0.00 C ATOM 640 CG2 ILE A 578 -3.691 -7.741 1.064 1.00 0.00 C ATOM 641 CD1 ILE A 578 -1.532 -5.944 -0.351 1.00 0.00 C ATOM 0 H ILE A 578 -3.369 -4.249 2.764 1.00 0.00 H new ATOM 0 HA ILE A 578 -5.272 -5.225 0.930 1.00 0.00 H new ATOM 0 HB ILE A 578 -2.674 -6.201 2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 578 -3.608 -5.816 -0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 578 -2.985 -4.493 0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 578 -2.772 -8.214 0.718 1.00 0.00 H new ATOM 0 HG22 ILE A 578 -4.018 -8.216 1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 578 -4.465 -7.853 0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 578 -1.256 -5.410 -1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 578 -0.845 -5.674 0.451 1.00 0.00 H new ATOM 0 HD13 ILE A 578 -1.477 -7.018 -0.530 1.00 0.00 H new ATOM 653 N SER A 579 -5.369 -6.631 3.895 1.00 0.00 N ATOM 654 CA SER A 579 -6.240 -7.424 4.755 1.00 0.00 C ATOM 655 C SER A 579 -7.573 -6.696 4.949 1.00 0.00 C ATOM 656 O SER A 579 -8.632 -7.318 5.009 1.00 0.00 O ATOM 657 CB SER A 579 -5.572 -7.690 6.111 1.00 0.00 C ATOM 658 OG SER A 579 -6.309 -8.635 6.872 1.00 0.00 O ATOM 0 H SER A 579 -4.568 -6.214 4.369 1.00 0.00 H new ATOM 0 HA SER A 579 -6.424 -8.386 4.277 1.00 0.00 H new ATOM 0 HB2 SER A 579 -4.558 -8.058 5.953 1.00 0.00 H new ATOM 0 HB3 SER A 579 -5.489 -6.756 6.668 1.00 0.00 H new ATOM 0 HG SER A 579 -5.860 -8.786 7.730 1.00 0.00 H new ATOM 664 N TRP A 580 -7.504 -5.368 5.001 1.00 0.00 N ATOM 665 CA TRP A 580 -8.683 -4.526 5.163 1.00 0.00 C ATOM 666 C TRP A 580 -9.560 -4.626 3.921 1.00 0.00 C ATOM 667 O TRP A 580 -10.781 -4.604 4.003 1.00 0.00 O ATOM 668 CB TRP A 580 -8.244 -3.073 5.402 1.00 0.00 C ATOM 669 CG TRP A 580 -9.366 -2.081 5.478 1.00 0.00 C ATOM 670 CD1 TRP A 580 -10.056 -1.708 6.593 1.00 0.00 C ATOM 671 CD2 TRP A 580 -9.917 -1.325 4.393 1.00 0.00 C ATOM 672 NE1 TRP A 580 -11.004 -0.768 6.268 1.00 0.00 N ATOM 673 CE2 TRP A 580 -10.942 -0.522 4.921 1.00 0.00 C ATOM 674 CE3 TRP A 580 -9.645 -1.258 3.025 1.00 0.00 C ATOM 675 CZ2 TRP A 580 -11.692 0.344 4.129 1.00 0.00 C ATOM 676 CZ3 TRP A 580 -10.390 -0.401 2.240 1.00 0.00 C ATOM 677 CH2 TRP A 580 -11.404 0.389 2.792 1.00 0.00 C ATOM 0 H TRP A 580 -6.630 -4.847 4.932 1.00 0.00 H new ATOM 0 HA TRP A 580 -9.262 -4.863 6.023 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -7.675 -3.028 6.331 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -7.569 -2.776 4.600 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -9.883 -2.095 7.586 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -11.649 -0.325 6.923 1.00 0.00 H new ATOM 0 HE3 TRP A 580 -8.866 -1.866 2.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -12.472 0.958 4.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 -10.186 -0.339 1.181 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -11.971 1.047 2.150 1.00 0.00 H new ATOM 688 N LEU A 581 -8.912 -4.749 2.777 1.00 0.00 N ATOM 689 CA LEU A 581 -9.598 -4.885 1.498 1.00 0.00 C ATOM 690 C LEU A 581 -10.411 -6.165 1.441 1.00 0.00 C ATOM 691 O LEU A 581 -11.576 -6.158 1.043 1.00 0.00 O ATOM 692 CB LEU A 581 -8.577 -4.891 0.372 1.00 0.00 C ATOM 693 CG LEU A 581 -7.844 -3.578 0.169 1.00 0.00 C ATOM 694 CD1 LEU A 581 -6.555 -3.821 -0.579 1.00 0.00 C ATOM 695 CD2 LEU A 581 -8.726 -2.605 -0.577 1.00 0.00 C ATOM 0 H LEU A 581 -7.895 -4.758 2.705 1.00 0.00 H new ATOM 0 HA LEU A 581 -10.278 -4.040 1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 581 -7.844 -5.673 0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 581 -9.083 -5.156 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 581 -7.602 -3.145 1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 581 -6.033 -2.875 -0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 581 -5.924 -4.500 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 581 -6.776 -4.264 -1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 581 -8.192 -1.665 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 581 -8.989 -3.023 -1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 581 -9.635 -2.423 -0.003 1.00 0.00 H new ATOM 707 N ASP A 582 -9.783 -7.265 1.827 1.00 0.00 N ATOM 708 CA ASP A 582 -10.452 -8.563 1.823 1.00 0.00 C ATOM 709 C ASP A 582 -11.533 -8.611 2.894 1.00 0.00 C ATOM 710 O ASP A 582 -12.521 -9.338 2.772 1.00 0.00 O ATOM 711 CB ASP A 582 -9.446 -9.691 2.054 1.00 0.00 C ATOM 712 CG ASP A 582 -10.080 -11.065 1.937 1.00 0.00 C ATOM 713 OD1 ASP A 582 -10.508 -11.433 0.823 1.00 0.00 O ATOM 714 OD2 ASP A 582 -10.156 -11.784 2.958 1.00 0.00 O ATOM 0 H ASP A 582 -8.815 -7.288 2.146 1.00 0.00 H new ATOM 0 HA ASP A 582 -10.915 -8.699 0.846 1.00 0.00 H new ATOM 0 HB2 ASP A 582 -8.635 -9.605 1.330 1.00 0.00 H new ATOM 0 HB3 ASP A 582 -9.003 -9.582 3.044 1.00 0.00 H new ATOM 719 N ALA A 583 -11.339 -7.822 3.937 1.00 0.00 N ATOM 720 CA ALA A 583 -12.248 -7.805 5.069 1.00 0.00 C ATOM 721 C ALA A 583 -13.411 -6.843 4.849 1.00 0.00 C ATOM 722 O ALA A 583 -14.526 -7.082 5.308 1.00 0.00 O ATOM 723 CB ALA A 583 -11.473 -7.425 6.317 1.00 0.00 C ATOM 0 H ALA A 583 -10.552 -7.179 4.023 1.00 0.00 H new ATOM 0 HA ALA A 583 -12.677 -8.800 5.185 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -12.147 -7.409 7.173 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -10.683 -8.155 6.491 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -11.032 -6.437 6.185 1.00 0.00 H new ATOM 729 N ASN A 584 -13.149 -5.765 4.125 1.00 0.00 N ATOM 730 CA ASN A 584 -14.149 -4.731 3.889 1.00 0.00 C ATOM 731 C ASN A 584 -14.534 -4.671 2.422 1.00 0.00 C ATOM 732 O ASN A 584 -14.403 -3.635 1.772 1.00 0.00 O ATOM 733 CB ASN A 584 -13.644 -3.359 4.351 1.00 0.00 C ATOM 734 CG ASN A 584 -13.570 -3.234 5.864 1.00 0.00 C ATOM 735 OD1 ASN A 584 -13.308 -4.203 6.575 1.00 0.00 O ATOM 736 ND2 ASN A 584 -13.811 -2.035 6.368 1.00 0.00 N ATOM 0 H ASN A 584 -12.246 -5.582 3.687 1.00 0.00 H new ATOM 0 HA ASN A 584 -15.032 -4.992 4.472 1.00 0.00 H new ATOM 0 HB2 ASN A 584 -12.655 -3.180 3.928 1.00 0.00 H new ATOM 0 HB3 ASN A 584 -14.303 -2.584 3.959 1.00 0.00 H new ATOM 0 HD21 ASN A 584 -13.783 -1.891 7.377 1.00 0.00 H new ATOM 0 HD22 ASN A 584 -14.025 -1.254 5.747 1.00 0.00 H new ATOM 743 N THR A 585 -15.033 -5.784 1.903 1.00 0.00 N ATOM 744 CA THR A 585 -15.547 -5.823 0.544 1.00 0.00 C ATOM 745 C THR A 585 -16.885 -5.102 0.495 1.00 0.00 C ATOM 746 O THR A 585 -17.416 -4.787 -0.569 1.00 0.00 O ATOM 747 CB THR A 585 -15.713 -7.276 0.060 1.00 0.00 C ATOM 748 OG1 THR A 585 -16.585 -7.997 0.942 1.00 0.00 O ATOM 749 CG2 THR A 585 -14.368 -7.974 0.004 1.00 0.00 C ATOM 0 H THR A 585 -15.092 -6.671 2.403 1.00 0.00 H new ATOM 0 HA THR A 585 -14.836 -5.327 -0.116 1.00 0.00 H new ATOM 0 HB THR A 585 -16.147 -7.254 -0.940 1.00 0.00 H new ATOM 0 HG1 THR A 585 -16.684 -8.918 0.623 1.00 0.00 H new ATOM 0 HG21 THR A 585 -14.504 -8.999 -0.340 1.00 0.00 H new ATOM 0 HG22 THR A 585 -13.711 -7.444 -0.686 1.00 0.00 H new ATOM 0 HG23 THR A 585 -13.920 -7.981 0.998 1.00 0.00 H new ATOM 757 N LEU A 586 -17.408 -4.838 1.681 1.00 0.00 N ATOM 758 CA LEU A 586 -18.684 -4.171 1.850 1.00 0.00 C ATOM 759 C LEU A 586 -18.484 -2.661 1.926 1.00 0.00 C ATOM 760 O LEU A 586 -19.429 -1.911 2.169 1.00 0.00 O ATOM 761 CB LEU A 586 -19.381 -4.667 3.126 1.00 0.00 C ATOM 762 CG LEU A 586 -19.641 -6.179 3.219 1.00 0.00 C ATOM 763 CD1 LEU A 586 -20.288 -6.690 1.944 1.00 0.00 C ATOM 764 CD2 LEU A 586 -18.362 -6.951 3.514 1.00 0.00 C ATOM 0 H LEU A 586 -16.953 -5.084 2.560 1.00 0.00 H new ATOM 0 HA LEU A 586 -19.312 -4.404 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 586 -18.776 -4.371 3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 586 -20.336 -4.150 3.217 1.00 0.00 H new ATOM 0 HG LEU A 586 -20.327 -6.344 4.050 1.00 0.00 H new ATOM 0 HD11 LEU A 586 -20.464 -7.762 2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 586 -21.237 -6.178 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 586 -19.628 -6.497 1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 586 -18.585 -8.016 3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 586 -17.639 -6.775 2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 586 -17.945 -6.615 4.463 1.00 0.00 H new ATOM 776 N ALA A 587 -17.246 -2.222 1.725 1.00 0.00 N ATOM 777 CA ALA A 587 -16.915 -0.803 1.767 1.00 0.00 C ATOM 778 C ALA A 587 -17.408 -0.098 0.516 1.00 0.00 C ATOM 779 O ALA A 587 -17.714 -0.735 -0.493 1.00 0.00 O ATOM 780 CB ALA A 587 -15.410 -0.611 1.908 1.00 0.00 C ATOM 0 H ALA A 587 -16.452 -2.832 1.531 1.00 0.00 H new ATOM 0 HA ALA A 587 -17.412 -0.366 2.633 1.00 0.00 H new ATOM 0 HB1 ALA A 587 -15.180 0.454 1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 587 -15.068 -1.082 2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 587 -14.904 -1.068 1.058 1.00 0.00 H new ATOM 786 N GLU A 588 -17.509 1.216 0.603 1.00 0.00 N ATOM 787 CA GLU A 588 -17.871 2.033 -0.542 1.00 0.00 C ATOM 788 C GLU A 588 -16.605 2.442 -1.277 1.00 0.00 C ATOM 789 O GLU A 588 -15.513 2.293 -0.730 1.00 0.00 O ATOM 790 CB GLU A 588 -18.651 3.284 -0.117 1.00 0.00 C ATOM 791 CG GLU A 588 -20.000 3.006 0.528 1.00 0.00 C ATOM 792 CD GLU A 588 -19.878 2.385 1.901 1.00 0.00 C ATOM 793 OE1 GLU A 588 -19.346 3.055 2.810 1.00 0.00 O ATOM 794 OE2 GLU A 588 -20.295 1.221 2.073 1.00 0.00 O ATOM 0 H GLU A 588 -17.344 1.743 1.460 1.00 0.00 H new ATOM 0 HA GLU A 588 -18.516 1.446 -1.196 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -18.041 3.855 0.582 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -18.806 3.914 -0.993 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -20.560 3.938 0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -20.575 2.341 -0.116 1.00 0.00 H new ATOM 801 N LYS A 589 -16.737 2.980 -2.479 1.00 0.00 N ATOM 802 CA LYS A 589 -15.573 3.316 -3.292 1.00 0.00 C ATOM 803 C LYS A 589 -14.709 4.332 -2.560 1.00 0.00 C ATOM 804 O LYS A 589 -13.482 4.252 -2.555 1.00 0.00 O ATOM 805 CB LYS A 589 -16.030 3.862 -4.648 1.00 0.00 C ATOM 806 CG LYS A 589 -16.490 5.311 -4.635 1.00 0.00 C ATOM 807 CD LYS A 589 -17.095 5.718 -5.964 1.00 0.00 C ATOM 808 CE LYS A 589 -18.371 4.942 -6.231 1.00 0.00 C ATOM 809 NZ LYS A 589 -19.047 5.379 -7.480 1.00 0.00 N ATOM 0 H LYS A 589 -17.634 3.194 -2.915 1.00 0.00 H new ATOM 0 HA LYS A 589 -14.977 2.420 -3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 589 -15.209 3.764 -5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 589 -16.846 3.241 -5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 589 -17.224 5.453 -3.842 1.00 0.00 H new ATOM 0 HG3 LYS A 589 -15.644 5.959 -4.406 1.00 0.00 H new ATOM 0 HD2 LYS A 589 -17.307 6.787 -5.961 1.00 0.00 H new ATOM 0 HD3 LYS A 589 -16.379 5.538 -6.766 1.00 0.00 H new ATOM 0 HE2 LYS A 589 -18.139 3.879 -6.299 1.00 0.00 H new ATOM 0 HE3 LYS A 589 -19.052 5.067 -5.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 -19.913 4.820 -7.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 -19.293 6.387 -7.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 -18.409 5.236 -8.289 1.00 0.00 H new ATOM 823 N ASP A 590 -15.387 5.259 -1.908 1.00 0.00 N ATOM 824 CA ASP A 590 -14.732 6.318 -1.145 1.00 0.00 C ATOM 825 C ASP A 590 -13.892 5.759 -0.002 1.00 0.00 C ATOM 826 O ASP A 590 -12.878 6.353 0.366 1.00 0.00 O ATOM 827 CB ASP A 590 -15.755 7.303 -0.583 1.00 0.00 C ATOM 828 CG ASP A 590 -16.560 7.994 -1.664 1.00 0.00 C ATOM 829 OD1 ASP A 590 -17.500 7.370 -2.202 1.00 0.00 O ATOM 830 OD2 ASP A 590 -16.254 9.163 -1.978 1.00 0.00 O ATOM 0 H ASP A 590 -16.406 5.303 -1.889 1.00 0.00 H new ATOM 0 HA ASP A 590 -14.071 6.838 -1.838 1.00 0.00 H new ATOM 0 HB2 ASP A 590 -16.433 6.773 0.086 1.00 0.00 H new ATOM 0 HB3 ASP A 590 -15.239 8.054 0.015 1.00 0.00 H new ATOM 835 N GLU A 591 -14.299 4.621 0.557 1.00 0.00 N ATOM 836 CA GLU A 591 -13.541 3.993 1.629 1.00 0.00 C ATOM 837 C GLU A 591 -12.179 3.575 1.103 1.00 0.00 C ATOM 838 O GLU A 591 -11.149 3.783 1.748 1.00 0.00 O ATOM 839 CB GLU A 591 -14.284 2.775 2.182 1.00 0.00 C ATOM 840 CG GLU A 591 -15.688 3.076 2.673 1.00 0.00 C ATOM 841 CD GLU A 591 -15.731 4.232 3.650 1.00 0.00 C ATOM 842 OE1 GLU A 591 -15.526 4.000 4.860 1.00 0.00 O ATOM 843 OE2 GLU A 591 -15.976 5.376 3.218 1.00 0.00 O ATOM 0 H GLU A 591 -15.145 4.120 0.285 1.00 0.00 H new ATOM 0 HA GLU A 591 -13.418 4.712 2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -14.338 2.012 1.405 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -13.706 2.353 3.004 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -16.326 3.304 1.819 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -16.100 2.187 3.150 1.00 0.00 H new ATOM 850 N PHE A 592 -12.188 3.008 -0.095 1.00 0.00 N ATOM 851 CA PHE A 592 -10.961 2.636 -0.772 1.00 0.00 C ATOM 852 C PHE A 592 -10.172 3.890 -1.122 1.00 0.00 C ATOM 853 O PHE A 592 -8.967 3.943 -0.939 1.00 0.00 O ATOM 854 CB PHE A 592 -11.271 1.829 -2.037 1.00 0.00 C ATOM 855 CG PHE A 592 -12.078 0.593 -1.770 1.00 0.00 C ATOM 856 CD1 PHE A 592 -11.464 -0.552 -1.314 1.00 0.00 C ATOM 857 CD2 PHE A 592 -13.446 0.585 -1.959 1.00 0.00 C ATOM 858 CE1 PHE A 592 -12.197 -1.693 -1.047 1.00 0.00 C ATOM 859 CE2 PHE A 592 -14.189 -0.548 -1.700 1.00 0.00 C ATOM 860 CZ PHE A 592 -13.562 -1.691 -1.242 1.00 0.00 C ATOM 0 H PHE A 592 -13.038 2.796 -0.618 1.00 0.00 H new ATOM 0 HA PHE A 592 -10.363 2.012 -0.108 1.00 0.00 H new ATOM 0 HB2 PHE A 592 -11.812 2.462 -2.740 1.00 0.00 H new ATOM 0 HB3 PHE A 592 -10.334 1.546 -2.518 1.00 0.00 H new ATOM 0 HD1 PHE A 592 -10.395 -0.559 -1.163 1.00 0.00 H new ATOM 0 HD2 PHE A 592 -13.940 1.477 -2.314 1.00 0.00 H new ATOM 0 HE1 PHE A 592 -11.702 -2.583 -0.687 1.00 0.00 H new ATOM 0 HE2 PHE A 592 -15.258 -0.542 -1.855 1.00 0.00 H new ATOM 0 HZ PHE A 592 -14.140 -2.580 -1.037 1.00 0.00 H new ATOM 870 N GLU A 593 -10.880 4.914 -1.574 1.00 0.00 N ATOM 871 CA GLU A 593 -10.257 6.173 -1.966 1.00 0.00 C ATOM 872 C GLU A 593 -9.494 6.810 -0.805 1.00 0.00 C ATOM 873 O GLU A 593 -8.402 7.362 -0.992 1.00 0.00 O ATOM 874 CB GLU A 593 -11.325 7.131 -2.503 1.00 0.00 C ATOM 875 CG GLU A 593 -11.814 6.758 -3.893 1.00 0.00 C ATOM 876 CD GLU A 593 -10.693 6.758 -4.911 1.00 0.00 C ATOM 877 OE1 GLU A 593 -9.823 5.872 -4.842 1.00 0.00 O ATOM 878 OE2 GLU A 593 -10.665 7.657 -5.778 1.00 0.00 O ATOM 0 H GLU A 593 -11.894 4.899 -1.680 1.00 0.00 H new ATOM 0 HA GLU A 593 -9.532 5.965 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 593 -12.172 7.143 -1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 593 -10.919 8.142 -2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 593 -12.275 5.771 -3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 593 -12.587 7.460 -4.205 1.00 0.00 H new ATOM 885 N HIS A 594 -10.054 6.719 0.394 1.00 0.00 N ATOM 886 CA HIS A 594 -9.379 7.228 1.584 1.00 0.00 C ATOM 887 C HIS A 594 -8.159 6.375 1.889 1.00 0.00 C ATOM 888 O HIS A 594 -7.093 6.892 2.218 1.00 0.00 O ATOM 889 CB HIS A 594 -10.304 7.219 2.803 1.00 0.00 C ATOM 890 CG HIS A 594 -11.551 8.035 2.656 1.00 0.00 C ATOM 891 ND1 HIS A 594 -12.776 7.615 3.118 1.00 0.00 N ATOM 892 CD2 HIS A 594 -11.753 9.258 2.120 1.00 0.00 C ATOM 893 CE1 HIS A 594 -13.678 8.545 2.876 1.00 0.00 C ATOM 894 NE2 HIS A 594 -13.086 9.559 2.270 1.00 0.00 N ATOM 0 H HIS A 594 -10.968 6.301 0.570 1.00 0.00 H new ATOM 0 HA HIS A 594 -9.082 8.257 1.379 1.00 0.00 H new ATOM 0 HB2 HIS A 594 -10.585 6.188 3.019 1.00 0.00 H new ATOM 0 HB3 HIS A 594 -9.747 7.585 3.666 1.00 0.00 H new ATOM 0 HD2 HIS A 594 -11.004 9.885 1.658 1.00 0.00 H new ATOM 0 HE1 HIS A 594 -14.726 8.488 3.131 1.00 0.00 H new ATOM 0 HE2 HIS A 594 -13.541 10.419 1.965 1.00 0.00 H new ATOM 903 N LYS A 595 -8.328 5.064 1.772 1.00 0.00 N ATOM 904 CA LYS A 595 -7.250 4.127 2.016 1.00 0.00 C ATOM 905 C LYS A 595 -6.138 4.328 0.997 1.00 0.00 C ATOM 906 O LYS A 595 -4.960 4.166 1.310 1.00 0.00 O ATOM 907 CB LYS A 595 -7.772 2.697 1.928 1.00 0.00 C ATOM 908 CG LYS A 595 -6.889 1.695 2.646 1.00 0.00 C ATOM 909 CD LYS A 595 -6.781 2.030 4.120 1.00 0.00 C ATOM 910 CE LYS A 595 -8.134 1.995 4.807 1.00 0.00 C ATOM 911 NZ LYS A 595 -8.038 2.428 6.223 1.00 0.00 N ATOM 0 H LYS A 595 -9.211 4.627 1.507 1.00 0.00 H new ATOM 0 HA LYS A 595 -6.853 4.304 3.016 1.00 0.00 H new ATOM 0 HB2 LYS A 595 -8.776 2.656 2.351 1.00 0.00 H new ATOM 0 HB3 LYS A 595 -7.857 2.412 0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 595 -7.298 0.692 2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 595 -5.896 1.691 2.196 1.00 0.00 H new ATOM 0 HD2 LYS A 595 -6.109 1.322 4.605 1.00 0.00 H new ATOM 0 HD3 LYS A 595 -6.340 3.020 4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 595 -8.830 2.643 4.274 1.00 0.00 H new ATOM 0 HE3 LYS A 595 -8.540 0.984 4.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 -8.791 1.972 6.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 -7.111 2.154 6.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 -8.144 3.461 6.278 1.00 0.00 H new ATOM 925 N ARG A 596 -6.533 4.662 -0.226 1.00 0.00 N ATOM 926 CA ARG A 596 -5.591 4.958 -1.292 1.00 0.00 C ATOM 927 C ARG A 596 -4.725 6.139 -0.887 1.00 0.00 C ATOM 928 O ARG A 596 -3.532 6.169 -1.173 1.00 0.00 O ATOM 929 CB ARG A 596 -6.339 5.247 -2.601 1.00 0.00 C ATOM 930 CG ARG A 596 -5.474 5.113 -3.846 1.00 0.00 C ATOM 931 CD ARG A 596 -6.273 4.577 -5.030 1.00 0.00 C ATOM 932 NE ARG A 596 -7.297 5.509 -5.495 1.00 0.00 N ATOM 933 CZ ARG A 596 -7.198 6.245 -6.599 1.00 0.00 C ATOM 934 NH1 ARG A 596 -6.087 6.226 -7.323 1.00 0.00 N ATOM 935 NH2 ARG A 596 -8.212 7.008 -6.976 1.00 0.00 N ATOM 0 H ARG A 596 -7.512 4.734 -0.503 1.00 0.00 H new ATOM 0 HA ARG A 596 -4.949 4.093 -1.459 1.00 0.00 H new ATOM 0 HB2 ARG A 596 -7.185 4.565 -2.683 1.00 0.00 H new ATOM 0 HB3 ARG A 596 -6.746 6.257 -2.560 1.00 0.00 H new ATOM 0 HG2 ARG A 596 -5.051 6.084 -4.102 1.00 0.00 H new ATOM 0 HG3 ARG A 596 -4.638 4.445 -3.639 1.00 0.00 H new ATOM 0 HD2 ARG A 596 -5.591 4.355 -5.851 1.00 0.00 H new ATOM 0 HD3 ARG A 596 -6.747 3.637 -4.746 1.00 0.00 H new ATOM 0 HE ARG A 596 -8.145 5.602 -4.936 1.00 0.00 H new ATOM 0 HH11 ARG A 596 -5.300 5.644 -7.035 1.00 0.00 H new ATOM 0 HH12 ARG A 596 -6.019 6.793 -8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 596 -9.067 7.031 -6.420 1.00 0.00 H new ATOM 0 HH22 ARG A 596 -8.138 7.573 -7.822 1.00 0.00 H new ATOM 949 N LYS A 597 -5.334 7.101 -0.199 1.00 0.00 N ATOM 950 CA LYS A 597 -4.590 8.222 0.362 1.00 0.00 C ATOM 951 C LYS A 597 -3.652 7.739 1.464 1.00 0.00 C ATOM 952 O LYS A 597 -2.476 8.088 1.484 1.00 0.00 O ATOM 953 CB LYS A 597 -5.537 9.287 0.926 1.00 0.00 C ATOM 954 CG LYS A 597 -6.553 9.805 -0.068 1.00 0.00 C ATOM 955 CD LYS A 597 -5.889 10.198 -1.365 1.00 0.00 C ATOM 956 CE LYS A 597 -6.846 10.907 -2.285 1.00 0.00 C ATOM 957 NZ LYS A 597 -7.974 10.032 -2.695 1.00 0.00 N ATOM 0 H LYS A 597 -6.337 7.126 -0.018 1.00 0.00 H new ATOM 0 HA LYS A 597 -4.005 8.668 -0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -6.065 8.870 1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -4.945 10.125 1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -7.305 9.039 -0.258 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -7.074 10.665 0.353 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -5.037 10.845 -1.157 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -5.500 9.308 -1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -7.238 11.794 -1.787 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -6.311 11.249 -3.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -8.016 9.983 -3.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -7.831 9.077 -2.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -8.866 10.422 -2.330 1.00 0.00 H new ATOM 971 N GLU A 598 -4.183 6.903 2.351 1.00 0.00 N ATOM 972 CA GLU A 598 -3.432 6.380 3.495 1.00 0.00 C ATOM 973 C GLU A 598 -2.199 5.606 3.042 1.00 0.00 C ATOM 974 O GLU A 598 -1.072 5.890 3.453 1.00 0.00 O ATOM 975 CB GLU A 598 -4.318 5.437 4.305 1.00 0.00 C ATOM 976 CG GLU A 598 -5.568 6.082 4.866 1.00 0.00 C ATOM 977 CD GLU A 598 -6.415 5.101 5.643 1.00 0.00 C ATOM 978 OE1 GLU A 598 -5.849 4.300 6.414 1.00 0.00 O ATOM 979 OE2 GLU A 598 -7.646 5.097 5.464 1.00 0.00 O ATOM 0 H GLU A 598 -5.145 6.567 2.300 1.00 0.00 H new ATOM 0 HA GLU A 598 -3.117 7.230 4.101 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -4.609 4.598 3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -3.734 5.027 5.129 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -5.287 6.911 5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -6.156 6.501 4.050 1.00 0.00 H new ATOM 986 N LEU A 599 -2.441 4.615 2.205 1.00 0.00 N ATOM 987 CA LEU A 599 -1.385 3.767 1.678 1.00 0.00 C ATOM 988 C LEU A 599 -0.372 4.623 0.926 1.00 0.00 C ATOM 989 O LEU A 599 0.832 4.430 1.052 1.00 0.00 O ATOM 990 CB LEU A 599 -2.011 2.706 0.760 1.00 0.00 C ATOM 991 CG LEU A 599 -1.142 1.498 0.397 1.00 0.00 C ATOM 992 CD1 LEU A 599 -0.061 1.869 -0.600 1.00 0.00 C ATOM 993 CD2 LEU A 599 -0.530 0.869 1.637 1.00 0.00 C ATOM 0 H LEU A 599 -3.374 4.374 1.871 1.00 0.00 H new ATOM 0 HA LEU A 599 -0.862 3.261 2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -2.919 2.338 1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -2.314 3.195 -0.166 1.00 0.00 H new ATOM 0 HG LEU A 599 -1.794 0.762 -0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.536 0.988 -0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -0.522 2.248 -1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 599 0.581 2.638 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 599 0.081 0.014 1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 599 0.092 1.604 2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -1.324 0.537 2.306 1.00 0.00 H new ATOM 1005 N GLU A 600 -0.870 5.590 0.172 1.00 0.00 N ATOM 1006 CA GLU A 600 -0.006 6.505 -0.553 1.00 0.00 C ATOM 1007 C GLU A 600 0.901 7.268 0.407 1.00 0.00 C ATOM 1008 O GLU A 600 2.078 7.447 0.137 1.00 0.00 O ATOM 1009 CB GLU A 600 -0.833 7.482 -1.384 1.00 0.00 C ATOM 1010 CG GLU A 600 -0.004 8.368 -2.293 1.00 0.00 C ATOM 1011 CD GLU A 600 -0.862 9.284 -3.131 1.00 0.00 C ATOM 1012 OE1 GLU A 600 -1.353 8.843 -4.190 1.00 0.00 O ATOM 1013 OE2 GLU A 600 -1.064 10.449 -2.729 1.00 0.00 O ATOM 0 H GLU A 600 -1.868 5.761 0.047 1.00 0.00 H new ATOM 0 HA GLU A 600 0.618 5.917 -1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 600 -1.542 6.919 -1.990 1.00 0.00 H new ATOM 0 HB3 GLU A 600 -1.417 8.112 -0.713 1.00 0.00 H new ATOM 0 HG2 GLU A 600 0.681 8.965 -1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 600 0.606 7.745 -2.947 1.00 0.00 H new ATOM 1020 N GLN A 601 0.356 7.711 1.537 1.00 0.00 N ATOM 1021 CA GLN A 601 1.140 8.433 2.526 1.00 0.00 C ATOM 1022 C GLN A 601 2.261 7.572 3.111 1.00 0.00 C ATOM 1023 O GLN A 601 3.306 8.097 3.490 1.00 0.00 O ATOM 1024 CB GLN A 601 0.234 8.940 3.638 1.00 0.00 C ATOM 1025 CG GLN A 601 -0.828 9.902 3.142 1.00 0.00 C ATOM 1026 CD GLN A 601 -0.276 11.278 2.831 1.00 0.00 C ATOM 1027 OE1 GLN A 601 -0.217 12.146 3.698 1.00 0.00 O ATOM 1028 NE2 GLN A 601 0.126 11.489 1.589 1.00 0.00 N ATOM 0 H GLN A 601 -0.624 7.581 1.787 1.00 0.00 H new ATOM 0 HA GLN A 601 1.608 9.278 2.022 1.00 0.00 H new ATOM 0 HB2 GLN A 601 -0.249 8.091 4.121 1.00 0.00 H new ATOM 0 HB3 GLN A 601 0.840 9.436 4.396 1.00 0.00 H new ATOM 0 HG2 GLN A 601 -1.293 9.491 2.246 1.00 0.00 H new ATOM 0 HG3 GLN A 601 -1.611 9.991 3.895 1.00 0.00 H new ATOM 0 HE21 GLN A 601 0.060 10.742 0.898 1.00 0.00 H new ATOM 0 HE22 GLN A 601 0.502 12.399 1.322 1.00 0.00 H new ATOM 1037 N VAL A 602 2.053 6.262 3.199 1.00 0.00 N ATOM 1038 CA VAL A 602 3.102 5.383 3.712 1.00 0.00 C ATOM 1039 C VAL A 602 4.203 5.174 2.664 1.00 0.00 C ATOM 1040 O VAL A 602 5.387 5.169 2.995 1.00 0.00 O ATOM 1041 CB VAL A 602 2.555 4.012 4.195 1.00 0.00 C ATOM 1042 CG1 VAL A 602 2.426 3.017 3.060 1.00 0.00 C ATOM 1043 CG2 VAL A 602 3.437 3.438 5.295 1.00 0.00 C ATOM 0 H VAL A 602 1.189 5.792 2.929 1.00 0.00 H new ATOM 0 HA VAL A 602 3.526 5.885 4.582 1.00 0.00 H new ATOM 0 HB VAL A 602 1.556 4.190 4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 602 2.040 2.073 3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 602 1.741 3.409 2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 602 3.404 2.851 2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 602 3.036 2.478 5.619 1.00 0.00 H new ATOM 0 HG22 VAL A 602 4.449 3.299 4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 602 3.458 4.126 6.140 1.00 0.00 H new ATOM 1053 N CYS A 603 3.809 5.016 1.403 1.00 0.00 N ATOM 1054 CA CYS A 603 4.761 4.757 0.328 1.00 0.00 C ATOM 1055 C CYS A 603 5.396 6.049 -0.191 1.00 0.00 C ATOM 1056 O CYS A 603 6.506 6.030 -0.693 1.00 0.00 O ATOM 1057 CB CYS A 603 4.091 3.992 -0.818 1.00 0.00 C ATOM 1058 SG CYS A 603 2.636 4.804 -1.512 1.00 0.00 S ATOM 0 H CYS A 603 2.836 5.063 1.101 1.00 0.00 H new ATOM 0 HA CYS A 603 5.558 4.140 0.742 1.00 0.00 H new ATOM 0 HB2 CYS A 603 4.821 3.842 -1.613 1.00 0.00 H new ATOM 0 HB3 CYS A 603 3.803 3.004 -0.459 1.00 0.00 H new ATOM 0 HG CYS A 603 2.334 4.254 -2.651 1.00 0.00 H new ATOM 1064 N ASN A 604 4.686 7.163 -0.065 1.00 0.00 N ATOM 1065 CA ASN A 604 5.139 8.460 -0.592 1.00 0.00 C ATOM 1066 C ASN A 604 6.585 8.799 -0.184 1.00 0.00 C ATOM 1067 O ASN A 604 7.410 9.069 -1.056 1.00 0.00 O ATOM 1068 CB ASN A 604 4.171 9.563 -0.140 1.00 0.00 C ATOM 1069 CG ASN A 604 4.638 10.963 -0.481 1.00 0.00 C ATOM 1070 OD1 ASN A 604 5.247 11.204 -1.524 1.00 0.00 O ATOM 1071 ND2 ASN A 604 4.368 11.893 0.420 1.00 0.00 N ATOM 0 H ASN A 604 3.781 7.201 0.403 1.00 0.00 H new ATOM 0 HA ASN A 604 5.138 8.392 -1.680 1.00 0.00 H new ATOM 0 HB2 ASN A 604 3.199 9.392 -0.602 1.00 0.00 H new ATOM 0 HB3 ASN A 604 4.029 9.490 0.938 1.00 0.00 H new ATOM 0 HD21 ASN A 604 4.667 12.856 0.265 1.00 0.00 H new ATOM 0 HD22 ASN A 604 3.861 11.647 1.270 1.00 0.00 H new ATOM 1078 N PRO A 605 6.941 8.783 1.124 1.00 0.00 N ATOM 1079 CA PRO A 605 8.313 9.091 1.565 1.00 0.00 C ATOM 1080 C PRO A 605 9.339 8.122 0.986 1.00 0.00 C ATOM 1081 O PRO A 605 10.518 8.445 0.855 1.00 0.00 O ATOM 1082 CB PRO A 605 8.246 8.955 3.088 1.00 0.00 C ATOM 1083 CG PRO A 605 6.809 9.149 3.401 1.00 0.00 C ATOM 1084 CD PRO A 605 6.073 8.490 2.277 1.00 0.00 C ATOM 0 HA PRO A 605 8.633 10.078 1.230 1.00 0.00 H new ATOM 0 HB2 PRO A 605 8.598 7.978 3.418 1.00 0.00 H new ATOM 0 HB3 PRO A 605 8.867 9.701 3.583 1.00 0.00 H new ATOM 0 HG2 PRO A 605 6.550 8.699 4.359 1.00 0.00 H new ATOM 0 HG3 PRO A 605 6.560 10.208 3.468 1.00 0.00 H new ATOM 0 HD2 PRO A 605 5.958 7.418 2.438 1.00 0.00 H new ATOM 0 HD3 PRO A 605 5.072 8.902 2.148 1.00 0.00 H new ATOM 1092 N ILE A 606 8.870 6.936 0.635 1.00 0.00 N ATOM 1093 CA ILE A 606 9.720 5.901 0.079 1.00 0.00 C ATOM 1094 C ILE A 606 9.809 6.061 -1.442 1.00 0.00 C ATOM 1095 O ILE A 606 10.883 5.938 -2.027 1.00 0.00 O ATOM 1096 CB ILE A 606 9.198 4.494 0.473 1.00 0.00 C ATOM 1097 CG1 ILE A 606 8.555 3.784 -0.718 1.00 0.00 C ATOM 1098 CG2 ILE A 606 8.214 4.590 1.637 1.00 0.00 C ATOM 1099 CD1 ILE A 606 7.612 2.667 -0.338 1.00 0.00 C ATOM 0 H ILE A 606 7.891 6.666 0.728 1.00 0.00 H new ATOM 0 HA ILE A 606 10.724 6.004 0.492 1.00 0.00 H new ATOM 0 HB ILE A 606 10.055 3.900 0.792 1.00 0.00 H new ATOM 0 HG12 ILE A 606 8.011 4.517 -1.313 1.00 0.00 H new ATOM 0 HG13 ILE A 606 9.342 3.379 -1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 606 7.860 3.593 1.897 1.00 0.00 H new ATOM 0 HG22 ILE A 606 8.712 5.035 2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 606 7.367 5.211 1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 606 7.199 2.216 -1.241 1.00 0.00 H new ATOM 0 HD12 ILE A 606 8.154 1.911 0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 606 6.801 3.067 0.271 1.00 0.00 H new ATOM 1111 N ILE A 607 8.673 6.378 -2.062 1.00 0.00 N ATOM 1112 CA ILE A 607 8.595 6.624 -3.496 1.00 0.00 C ATOM 1113 C ILE A 607 9.384 7.883 -3.845 1.00 0.00 C ATOM 1114 O ILE A 607 9.924 8.013 -4.944 1.00 0.00 O ATOM 1115 CB ILE A 607 7.109 6.742 -3.959 1.00 0.00 C ATOM 1116 CG1 ILE A 607 6.608 5.407 -4.529 1.00 0.00 C ATOM 1117 CG2 ILE A 607 6.909 7.859 -4.974 1.00 0.00 C ATOM 1118 CD1 ILE A 607 6.603 4.271 -3.531 1.00 0.00 C ATOM 0 H ILE A 607 7.779 6.471 -1.579 1.00 0.00 H new ATOM 0 HA ILE A 607 9.035 5.779 -4.026 1.00 0.00 H new ATOM 0 HB ILE A 607 6.521 6.993 -3.077 1.00 0.00 H new ATOM 0 HG12 ILE A 607 5.597 5.545 -4.911 1.00 0.00 H new ATOM 0 HG13 ILE A 607 7.234 5.129 -5.377 1.00 0.00 H new ATOM 0 HG21 ILE A 607 5.860 7.902 -5.266 1.00 0.00 H new ATOM 0 HG22 ILE A 607 7.201 8.811 -4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 607 7.523 7.665 -5.854 1.00 0.00 H new ATOM 0 HD11 ILE A 607 6.236 3.365 -4.013 1.00 0.00 H new ATOM 0 HD12 ILE A 607 7.616 4.103 -3.166 1.00 0.00 H new ATOM 0 HD13 ILE A 607 5.953 4.525 -2.694 1.00 0.00 H new ATOM 1130 N SER A 608 9.481 8.789 -2.879 1.00 0.00 N ATOM 1131 CA SER A 608 10.271 10.002 -3.029 1.00 0.00 C ATOM 1132 C SER A 608 11.758 9.665 -3.169 1.00 0.00 C ATOM 1133 O SER A 608 12.560 10.521 -3.533 1.00 0.00 O ATOM 1134 CB SER A 608 10.043 10.926 -1.826 1.00 0.00 C ATOM 1135 OG SER A 608 10.735 12.155 -1.978 1.00 0.00 O ATOM 0 H SER A 608 9.016 8.703 -1.975 1.00 0.00 H new ATOM 0 HA SER A 608 9.952 10.516 -3.936 1.00 0.00 H new ATOM 0 HB2 SER A 608 8.976 11.119 -1.711 1.00 0.00 H new ATOM 0 HB3 SER A 608 10.377 10.429 -0.915 1.00 0.00 H new ATOM 0 HG SER A 608 11.483 12.035 -2.600 1.00 0.00 H new ATOM 1141 N GLY A 609 12.119 8.423 -2.870 1.00 0.00 N ATOM 1142 CA GLY A 609 13.490 7.987 -3.033 1.00 0.00 C ATOM 1143 C GLY A 609 13.606 6.817 -3.990 1.00 0.00 C ATOM 1144 O GLY A 609 14.686 6.250 -4.164 1.00 0.00 O ATOM 0 H GLY A 609 11.483 7.709 -2.516 1.00 0.00 H new ATOM 0 HA2 GLY A 609 14.093 8.817 -3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 609 13.898 7.703 -2.063 1.00 0.00 H new ATOM 1148 N LEU A 610 12.493 6.454 -4.614 1.00 0.00 N ATOM 1149 CA LEU A 610 12.467 5.338 -5.546 1.00 0.00 C ATOM 1150 C LEU A 610 12.231 5.832 -6.963 1.00 0.00 C ATOM 1151 O LEU A 610 13.217 5.962 -7.715 1.00 0.00 O ATOM 1152 CB LEU A 610 11.390 4.324 -5.157 1.00 0.00 C ATOM 1153 CG LEU A 610 11.645 3.566 -3.852 1.00 0.00 C ATOM 1154 CD1 LEU A 610 10.537 2.556 -3.593 1.00 0.00 C ATOM 1155 CD2 LEU A 610 13.000 2.870 -3.889 1.00 0.00 C ATOM 1156 OXT LEU A 610 11.064 6.092 -7.324 1.00 0.00 O ATOM 0 H LEU A 610 11.594 6.919 -4.490 1.00 0.00 H new ATOM 0 HA LEU A 610 13.437 4.843 -5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 610 10.436 4.845 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 610 11.288 3.599 -5.965 1.00 0.00 H new ATOM 0 HG LEU A 610 11.651 4.288 -3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 610 10.737 2.028 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 610 9.582 3.075 -3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 610 10.498 1.840 -4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 610 13.161 2.337 -2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 610 13.023 2.162 -4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 610 13.787 3.612 -4.024 1.00 0.00 H new TER 1168 LEU A 610