USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 625 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 537 THR OG1 : rot 180:sc= 0.0771 USER MOD Set 1.2: A 578 THR OG1 : rot -88:sc= 0.0831 USER MOD Single : A 534 ASN : amide:sc= -2.05! C(o=-2.1!,f=-3.7!) USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 539 TYR OH : rot 165:sc= 0 USER MOD Single : A 540 TYR OH : rot 180:sc= 0 USER MOD Single : A 541 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 542 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 ASN : amide:sc= -1.76 K(o=-1.8,f=-1.2) USER MOD Single : A 546 SER OG : rot 61:sc= 0.0939 USER MOD Single : A 548 TYR OH : rot 180:sc= 0 USER MOD Single : A 550 HIS : no HD1:sc= -4.83 K(o=-4.8,f=-2.8!) USER MOD Single : A 551 TYR OH : rot 173:sc= -4.51! USER MOD Single : A 557 SER OG : rot 180:sc= -0.294 USER MOD Single : A 559 THR OG1 : rot 180:sc= 0.0839 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 566 MET CE :methyl -154:sc= -6.94! (180deg=-8.59!) USER MOD Single : A 567 GLN : amide:sc= -0.042 K(o=-0.042,f=-0.96) USER MOD Single : A 572 SER OG : rot 180:sc= 0 USER MOD Single : A 574 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 583 SER OG : rot 180:sc= 0 USER MOD Single : A 585 SER OG : rot 180:sc= 0 USER MOD Single : A 586 GLN : amide:sc= -3.73! C(o=-3.7!,f=-3.1!) USER MOD Single : A 592 ASN : amide:sc= -0.145 K(o=-0.14,f=-3.2!) USER MOD Single : A 595 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 596 ASN : amide:sc=-0.00784 K(o=-0.0078,f=-1) USER MOD Single : A 597 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.67) USER MOD Single : A 605 ASN : amide:sc=-0.00977 X(o=-0.0098,f=0) USER MOD Single : A 606 TYR OH : rot 180:sc= 0 USER MOD Single : A 609 SER OG : rot 75:sc= 1.17 USER MOD Single : A 610 THR OG1 : rot 180:sc= 0.00371 USER MOD Single : A 612 THR OG1 : rot 180:sc= 0 USER MOD Single : A 613 SER OG : rot 180:sc= 0 USER MOD Single : A 614 THR OG1 : rot 160:sc= -1.07 USER MOD Single : A 615 TYR OH : rot 180:sc= -0.63 USER MOD Single : A 616 THR OG1 : rot 180:sc= 0 USER MOD Single : A 625 THR OG1 : rot -28:sc= 0.716 USER MOD Single : A 628 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N ASN A 534 -3.251 13.861 -6.424 1.00 0.00 N ATOM 44 CA ASN A 534 -2.892 12.619 -7.087 1.00 0.00 C ATOM 45 C ASN A 534 -3.400 11.438 -6.258 1.00 0.00 C ATOM 46 O ASN A 534 -3.917 11.624 -5.157 1.00 0.00 O ATOM 47 CB ASN A 534 -1.374 12.484 -7.221 1.00 0.00 C ATOM 48 CG ASN A 534 -0.713 13.857 -7.365 1.00 0.00 C ATOM 49 OD1 ASN A 534 -0.928 14.764 -6.578 1.00 0.00 O ATOM 50 ND2 ASN A 534 0.103 13.958 -8.410 1.00 0.00 N ATOM 0 HA ASN A 534 -3.342 12.625 -8.080 1.00 0.00 H new ATOM 0 HB2 ASN A 534 -0.972 11.973 -6.346 1.00 0.00 H new ATOM 0 HB3 ASN A 534 -1.135 11.868 -8.088 1.00 0.00 H new ATOM 0 HD21 ASN A 534 0.593 14.834 -8.591 1.00 0.00 H new ATOM 0 HD22 ASN A 534 0.239 13.160 -9.030 1.00 0.00 H new ATOM 57 N LYS A 535 -3.235 10.248 -6.818 1.00 0.00 N ATOM 58 CA LYS A 535 -3.670 9.037 -6.144 1.00 0.00 C ATOM 59 C LYS A 535 -2.660 7.919 -6.411 1.00 0.00 C ATOM 60 O LYS A 535 -2.128 7.808 -7.514 1.00 0.00 O ATOM 61 CB LYS A 535 -5.101 8.682 -6.551 1.00 0.00 C ATOM 62 CG LYS A 535 -6.085 9.762 -6.095 1.00 0.00 C ATOM 63 CD LYS A 535 -6.348 10.771 -7.214 1.00 0.00 C ATOM 64 CE LYS A 535 -7.354 10.219 -8.226 1.00 0.00 C ATOM 65 NZ LYS A 535 -8.062 11.324 -8.909 1.00 0.00 N ATOM 0 H LYS A 535 -2.806 10.097 -7.731 1.00 0.00 H new ATOM 0 HA LYS A 535 -3.699 9.191 -5.065 1.00 0.00 H new ATOM 0 HB2 LYS A 535 -5.157 8.568 -7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 535 -5.380 7.723 -6.114 1.00 0.00 H new ATOM 0 HG2 LYS A 535 -7.023 9.299 -5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 535 -5.686 10.278 -5.222 1.00 0.00 H new ATOM 0 HD2 LYS A 535 -6.727 11.700 -6.789 1.00 0.00 H new ATOM 0 HD3 LYS A 535 -5.413 11.011 -7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 535 -6.838 9.601 -8.961 1.00 0.00 H new ATOM 0 HE3 LYS A 535 -8.074 9.577 -7.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 -8.741 10.932 -9.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 -8.571 11.897 -8.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 -7.373 11.921 -9.410 1.00 0.00 H new ATOM 78 N VAL A 536 -2.426 7.119 -5.381 1.00 0.00 N ATOM 79 CA VAL A 536 -1.489 6.013 -5.490 1.00 0.00 C ATOM 80 C VAL A 536 -2.246 4.692 -5.343 1.00 0.00 C ATOM 81 O VAL A 536 -2.795 4.402 -4.281 1.00 0.00 O ATOM 82 CB VAL A 536 -0.366 6.176 -4.464 1.00 0.00 C ATOM 83 CG1 VAL A 536 0.496 7.400 -4.784 1.00 0.00 C ATOM 84 CG2 VAL A 536 -0.928 6.258 -3.044 1.00 0.00 C ATOM 0 H VAL A 536 -2.869 7.214 -4.467 1.00 0.00 H new ATOM 0 HA VAL A 536 -1.016 6.009 -6.472 1.00 0.00 H new ATOM 0 HB VAL A 536 0.271 5.293 -4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 536 1.287 7.493 -4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 536 0.940 7.284 -5.773 1.00 0.00 H new ATOM 0 HG13 VAL A 536 -0.124 8.296 -4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 536 -0.109 6.374 -2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -1.598 7.114 -2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -1.478 5.345 -2.817 1.00 0.00 H new ATOM 94 N THR A 537 -2.251 3.926 -6.424 1.00 0.00 N ATOM 95 CA THR A 537 -2.932 2.643 -6.429 1.00 0.00 C ATOM 96 C THR A 537 -1.926 1.505 -6.243 1.00 0.00 C ATOM 97 O THR A 537 -0.969 1.386 -7.007 1.00 0.00 O ATOM 98 CB THR A 537 -3.735 2.538 -7.727 1.00 0.00 C ATOM 99 OG1 THR A 537 -4.768 3.508 -7.576 1.00 0.00 O ATOM 100 CG2 THR A 537 -4.485 1.210 -7.846 1.00 0.00 C ATOM 0 H THR A 537 -1.794 4.170 -7.303 1.00 0.00 H new ATOM 0 HA THR A 537 -3.627 2.561 -5.593 1.00 0.00 H new ATOM 0 HB THR A 537 -3.064 2.653 -8.579 1.00 0.00 H new ATOM 0 HG1 THR A 537 -5.336 3.508 -8.375 1.00 0.00 H new ATOM 0 HG21 THR A 537 -5.038 1.188 -8.785 1.00 0.00 H new ATOM 0 HG22 THR A 537 -3.772 0.386 -7.825 1.00 0.00 H new ATOM 0 HG23 THR A 537 -5.180 1.109 -7.013 1.00 0.00 H new ATOM 108 N VAL A 538 -2.177 0.697 -5.224 1.00 0.00 N ATOM 109 CA VAL A 538 -1.305 -0.428 -4.928 1.00 0.00 C ATOM 110 C VAL A 538 -2.136 -1.712 -4.877 1.00 0.00 C ATOM 111 O VAL A 538 -3.256 -1.711 -4.371 1.00 0.00 O ATOM 112 CB VAL A 538 -0.532 -0.164 -3.634 1.00 0.00 C ATOM 113 CG1 VAL A 538 0.534 -1.237 -3.404 1.00 0.00 C ATOM 114 CG2 VAL A 538 0.089 1.234 -3.642 1.00 0.00 C ATOM 0 H VAL A 538 -2.972 0.798 -4.593 1.00 0.00 H new ATOM 0 HA VAL A 538 -0.562 -0.553 -5.715 1.00 0.00 H new ATOM 0 HB VAL A 538 -1.239 -0.211 -2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 538 1.069 -1.026 -2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 538 0.057 -2.214 -3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 538 1.237 -1.236 -4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 538 0.633 1.396 -2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 538 0.776 1.322 -4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 538 -0.699 1.981 -3.737 1.00 0.00 H new ATOM 124 N TYR A 539 -1.553 -2.776 -5.409 1.00 0.00 N ATOM 125 CA TYR A 539 -2.225 -4.064 -5.431 1.00 0.00 C ATOM 126 C TYR A 539 -1.526 -5.063 -4.506 1.00 0.00 C ATOM 127 O TYR A 539 -0.302 -5.177 -4.521 1.00 0.00 O ATOM 128 CB TYR A 539 -2.127 -4.567 -6.872 1.00 0.00 C ATOM 129 CG TYR A 539 -3.364 -4.267 -7.722 1.00 0.00 C ATOM 130 CD1 TYR A 539 -3.575 -2.992 -8.205 1.00 0.00 C ATOM 131 CD2 TYR A 539 -4.267 -5.271 -8.004 1.00 0.00 C ATOM 132 CE1 TYR A 539 -4.739 -2.709 -9.005 1.00 0.00 C ATOM 133 CE2 TYR A 539 -5.431 -4.988 -8.804 1.00 0.00 C ATOM 134 CZ TYR A 539 -5.610 -3.721 -9.264 1.00 0.00 C ATOM 135 OH TYR A 539 -6.709 -3.454 -10.019 1.00 0.00 O ATOM 0 H TYR A 539 -0.623 -2.773 -5.828 1.00 0.00 H new ATOM 0 HA TYR A 539 -3.256 -3.964 -5.093 1.00 0.00 H new ATOM 0 HB2 TYR A 539 -1.255 -4.115 -7.345 1.00 0.00 H new ATOM 0 HB3 TYR A 539 -1.960 -5.644 -6.859 1.00 0.00 H new ATOM 0 HD1 TYR A 539 -2.868 -2.206 -7.983 1.00 0.00 H new ATOM 0 HD2 TYR A 539 -4.101 -6.269 -7.625 1.00 0.00 H new ATOM 0 HE1 TYR A 539 -4.916 -1.716 -9.390 1.00 0.00 H new ATOM 0 HE2 TYR A 539 -6.146 -5.765 -9.033 1.00 0.00 H new ATOM 0 HH TYR A 539 -7.109 -4.295 -10.324 1.00 0.00 H new ATOM 145 N TYR A 540 -2.335 -5.762 -3.723 1.00 0.00 N ATOM 146 CA TYR A 540 -1.810 -6.747 -2.793 1.00 0.00 C ATOM 147 C TYR A 540 -2.333 -8.146 -3.124 1.00 0.00 C ATOM 148 O TYR A 540 -3.507 -8.313 -3.451 1.00 0.00 O ATOM 149 CB TYR A 540 -2.321 -6.338 -1.411 1.00 0.00 C ATOM 150 CG TYR A 540 -2.005 -7.347 -0.306 1.00 0.00 C ATOM 151 CD1 TYR A 540 -2.824 -8.442 -0.116 1.00 0.00 C ATOM 152 CD2 TYR A 540 -0.900 -7.164 0.501 1.00 0.00 C ATOM 153 CE1 TYR A 540 -2.526 -9.392 0.924 1.00 0.00 C ATOM 154 CE2 TYR A 540 -0.602 -8.115 1.541 1.00 0.00 C ATOM 155 CZ TYR A 540 -1.430 -9.182 1.701 1.00 0.00 C ATOM 156 OH TYR A 540 -1.148 -10.079 2.683 1.00 0.00 O ATOM 0 H TYR A 540 -3.350 -5.666 -3.714 1.00 0.00 H new ATOM 0 HA TYR A 540 -0.722 -6.779 -2.843 1.00 0.00 H new ATOM 0 HB2 TYR A 540 -1.886 -5.375 -1.145 1.00 0.00 H new ATOM 0 HB3 TYR A 540 -3.401 -6.197 -1.462 1.00 0.00 H new ATOM 0 HD1 TYR A 540 -3.688 -8.586 -0.747 1.00 0.00 H new ATOM 0 HD2 TYR A 540 -0.259 -6.308 0.353 1.00 0.00 H new ATOM 0 HE1 TYR A 540 -3.159 -10.252 1.083 1.00 0.00 H new ATOM 0 HE2 TYR A 540 0.259 -7.984 2.179 1.00 0.00 H new ATOM 0 HH TYR A 540 -0.336 -9.801 3.156 1.00 0.00 H new ATOM 166 N LYS A 541 -1.437 -9.117 -3.026 1.00 0.00 N ATOM 167 CA LYS A 541 -1.793 -10.497 -3.311 1.00 0.00 C ATOM 168 C LYS A 541 -2.261 -11.174 -2.021 1.00 0.00 C ATOM 169 O LYS A 541 -1.562 -11.141 -1.010 1.00 0.00 O ATOM 170 CB LYS A 541 -0.634 -11.219 -3.999 1.00 0.00 C ATOM 171 CG LYS A 541 -1.101 -12.535 -4.625 1.00 0.00 C ATOM 172 CD LYS A 541 -0.179 -12.955 -5.771 1.00 0.00 C ATOM 173 CE LYS A 541 -0.808 -14.080 -6.596 1.00 0.00 C ATOM 174 NZ LYS A 541 0.235 -14.822 -7.340 1.00 0.00 N ATOM 0 H LYS A 541 -0.464 -8.975 -2.753 1.00 0.00 H new ATOM 0 HA LYS A 541 -2.625 -10.539 -4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -0.207 -10.577 -4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 541 0.157 -11.417 -3.275 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -1.121 -13.316 -3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -2.120 -12.424 -4.995 1.00 0.00 H new ATOM 0 HD2 LYS A 541 0.023 -12.098 -6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 541 0.779 -13.285 -5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 541 -1.349 -14.761 -5.940 1.00 0.00 H new ATOM 0 HE3 LYS A 541 -1.535 -13.665 -7.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 -0.208 -15.582 -7.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 0.734 -14.172 -7.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 0.913 -15.234 -6.668 1.00 0.00 H new ATOM 187 N LYS A 542 -3.440 -11.773 -2.099 1.00 0.00 N ATOM 188 CA LYS A 542 -4.009 -12.458 -0.951 1.00 0.00 C ATOM 189 C LYS A 542 -3.371 -13.842 -0.819 1.00 0.00 C ATOM 190 O LYS A 542 -3.199 -14.547 -1.812 1.00 0.00 O ATOM 191 CB LYS A 542 -5.536 -12.492 -1.050 1.00 0.00 C ATOM 192 CG LYS A 542 -6.132 -13.434 -0.002 1.00 0.00 C ATOM 193 CD LYS A 542 -6.812 -12.647 1.120 1.00 0.00 C ATOM 194 CE LYS A 542 -7.846 -11.671 0.556 1.00 0.00 C ATOM 195 NZ LYS A 542 -9.177 -11.924 1.153 1.00 0.00 N ATOM 0 H LYS A 542 -4.017 -11.798 -2.940 1.00 0.00 H new ATOM 0 HA LYS A 542 -3.783 -11.914 -0.034 1.00 0.00 H new ATOM 0 HB2 LYS A 542 -5.936 -11.488 -0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 542 -5.832 -12.817 -2.047 1.00 0.00 H new ATOM 0 HG2 LYS A 542 -6.855 -14.099 -0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 542 -5.346 -14.063 0.415 1.00 0.00 H new ATOM 0 HD2 LYS A 542 -7.297 -13.337 1.811 1.00 0.00 H new ATOM 0 HD3 LYS A 542 -6.062 -12.099 1.691 1.00 0.00 H new ATOM 0 HE2 LYS A 542 -7.537 -10.646 0.762 1.00 0.00 H new ATOM 0 HE3 LYS A 542 -7.901 -11.776 -0.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 542 -9.867 -11.253 0.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 542 -9.476 -12.896 0.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 542 -9.124 -11.801 2.184 1.00 0.00 H new ATOM 208 N GLY A 543 -3.036 -14.189 0.415 1.00 0.00 N ATOM 209 CA GLY A 543 -3.274 -13.294 1.535 1.00 0.00 C ATOM 210 C GLY A 543 -3.341 -14.070 2.852 1.00 0.00 C ATOM 211 O GLY A 543 -2.765 -15.150 2.970 1.00 0.00 O ATOM 0 H GLY A 543 -2.602 -15.078 0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 543 -2.478 -12.551 1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 543 -4.207 -12.752 1.380 1.00 0.00 H new ATOM 215 N PHE A 544 -4.049 -13.488 3.809 1.00 0.00 N ATOM 216 CA PHE A 544 -4.198 -14.111 5.113 1.00 0.00 C ATOM 217 C PHE A 544 -5.675 -14.286 5.471 1.00 0.00 C ATOM 218 O PHE A 544 -6.212 -15.389 5.388 1.00 0.00 O ATOM 219 CB PHE A 544 -3.545 -13.176 6.133 1.00 0.00 C ATOM 220 CG PHE A 544 -2.175 -13.649 6.623 1.00 0.00 C ATOM 221 CD1 PHE A 544 -2.091 -14.582 7.609 1.00 0.00 C ATOM 222 CD2 PHE A 544 -1.042 -13.137 6.072 1.00 0.00 C ATOM 223 CE1 PHE A 544 -0.819 -15.021 8.064 1.00 0.00 C ATOM 224 CE2 PHE A 544 0.230 -13.576 6.527 1.00 0.00 C ATOM 225 CZ PHE A 544 0.314 -14.509 7.513 1.00 0.00 C ATOM 0 H PHE A 544 -4.526 -12.592 3.707 1.00 0.00 H new ATOM 0 HA PHE A 544 -3.733 -15.097 5.110 1.00 0.00 H new ATOM 0 HB2 PHE A 544 -3.439 -12.187 5.688 1.00 0.00 H new ATOM 0 HB3 PHE A 544 -4.209 -13.070 6.991 1.00 0.00 H new ATOM 0 HD1 PHE A 544 -2.991 -14.989 8.046 1.00 0.00 H new ATOM 0 HD2 PHE A 544 -1.109 -12.397 5.289 1.00 0.00 H new ATOM 0 HE1 PHE A 544 -0.752 -15.761 8.847 1.00 0.00 H new ATOM 0 HE2 PHE A 544 1.130 -13.169 6.090 1.00 0.00 H new ATOM 0 HZ PHE A 544 1.281 -14.843 7.859 1.00 0.00 H new ATOM 235 N ASN A 545 -6.291 -13.180 5.862 1.00 0.00 N ATOM 236 CA ASN A 545 -7.696 -13.196 6.233 1.00 0.00 C ATOM 237 C ASN A 545 -8.278 -11.790 6.073 1.00 0.00 C ATOM 238 O ASN A 545 -9.339 -11.619 5.476 1.00 0.00 O ATOM 239 CB ASN A 545 -7.875 -13.619 7.693 1.00 0.00 C ATOM 240 CG ASN A 545 -7.518 -15.094 7.885 1.00 0.00 C ATOM 241 OD1 ASN A 545 -8.337 -15.984 7.723 1.00 0.00 O ATOM 242 ND2 ASN A 545 -6.252 -15.303 8.237 1.00 0.00 N ATOM 0 H ASN A 545 -5.843 -12.266 5.930 1.00 0.00 H new ATOM 0 HA ASN A 545 -8.208 -13.908 5.586 1.00 0.00 H new ATOM 0 HB2 ASN A 545 -7.245 -13.002 8.334 1.00 0.00 H new ATOM 0 HB3 ASN A 545 -8.907 -13.448 8.001 1.00 0.00 H new ATOM 0 HD21 ASN A 545 -5.915 -16.254 8.388 1.00 0.00 H new ATOM 0 HD22 ASN A 545 -5.619 -14.512 8.356 1.00 0.00 H new ATOM 249 N SER A 546 -7.557 -10.821 6.617 1.00 0.00 N ATOM 250 CA SER A 546 -7.989 -9.435 6.542 1.00 0.00 C ATOM 251 C SER A 546 -6.911 -8.519 7.124 1.00 0.00 C ATOM 252 O SER A 546 -7.145 -7.833 8.118 1.00 0.00 O ATOM 253 CB SER A 546 -9.314 -9.231 7.279 1.00 0.00 C ATOM 254 OG SER A 546 -9.263 -9.719 8.616 1.00 0.00 O ATOM 0 H SER A 546 -6.677 -10.968 7.111 1.00 0.00 H new ATOM 0 HA SER A 546 -8.145 -9.181 5.493 1.00 0.00 H new ATOM 0 HB2 SER A 546 -9.563 -8.170 7.290 1.00 0.00 H new ATOM 0 HB3 SER A 546 -10.112 -9.740 6.738 1.00 0.00 H new ATOM 0 HG SER A 546 -8.570 -9.237 9.114 1.00 0.00 H new ATOM 260 N PRO A 547 -5.723 -8.538 6.463 1.00 0.00 N ATOM 261 CA PRO A 547 -4.608 -7.716 6.905 1.00 0.00 C ATOM 262 C PRO A 547 -4.829 -6.248 6.537 1.00 0.00 C ATOM 263 O PRO A 547 -5.457 -5.946 5.522 1.00 0.00 O ATOM 264 CB PRO A 547 -3.385 -8.319 6.233 1.00 0.00 C ATOM 265 CG PRO A 547 -3.914 -9.160 5.082 1.00 0.00 C ATOM 266 CD PRO A 547 -5.410 -9.338 5.283 1.00 0.00 C ATOM 0 HA PRO A 547 -4.491 -7.714 7.989 1.00 0.00 H new ATOM 0 HB2 PRO A 547 -2.714 -7.540 5.871 1.00 0.00 H new ATOM 0 HB3 PRO A 547 -2.816 -8.930 6.934 1.00 0.00 H new ATOM 0 HG2 PRO A 547 -3.713 -8.672 4.129 1.00 0.00 H new ATOM 0 HG3 PRO A 547 -3.415 -10.128 5.056 1.00 0.00 H new ATOM 0 HD2 PRO A 547 -5.970 -8.996 4.413 1.00 0.00 H new ATOM 0 HD3 PRO A 547 -5.667 -10.386 5.436 1.00 0.00 H new ATOM 274 N TYR A 548 -4.302 -5.373 7.381 1.00 0.00 N ATOM 275 CA TYR A 548 -4.434 -3.944 7.157 1.00 0.00 C ATOM 276 C TYR A 548 -3.118 -3.343 6.659 1.00 0.00 C ATOM 277 O TYR A 548 -2.056 -3.941 6.826 1.00 0.00 O ATOM 278 CB TYR A 548 -4.777 -3.334 8.517 1.00 0.00 C ATOM 279 CG TYR A 548 -6.279 -3.190 8.774 1.00 0.00 C ATOM 280 CD1 TYR A 548 -7.037 -4.302 9.077 1.00 0.00 C ATOM 281 CD2 TYR A 548 -6.875 -1.947 8.702 1.00 0.00 C ATOM 282 CE1 TYR A 548 -8.450 -4.166 9.318 1.00 0.00 C ATOM 283 CE2 TYR A 548 -8.288 -1.811 8.944 1.00 0.00 C ATOM 284 CZ TYR A 548 -9.006 -2.928 9.240 1.00 0.00 C ATOM 285 OH TYR A 548 -10.340 -2.799 9.467 1.00 0.00 O ATOM 0 H TYR A 548 -3.783 -5.627 8.221 1.00 0.00 H new ATOM 0 HA TYR A 548 -5.196 -3.742 6.404 1.00 0.00 H new ATOM 0 HB2 TYR A 548 -4.342 -3.953 9.302 1.00 0.00 H new ATOM 0 HB3 TYR A 548 -4.310 -2.352 8.591 1.00 0.00 H new ATOM 0 HD1 TYR A 548 -6.571 -5.274 9.133 1.00 0.00 H new ATOM 0 HD2 TYR A 548 -6.282 -1.077 8.464 1.00 0.00 H new ATOM 0 HE1 TYR A 548 -9.055 -5.029 9.556 1.00 0.00 H new ATOM 0 HE2 TYR A 548 -8.767 -0.844 8.892 1.00 0.00 H new ATOM 0 HH TYR A 548 -10.597 -1.858 9.378 1.00 0.00 H new ATOM 295 N ILE A 549 -3.231 -2.168 6.058 1.00 0.00 N ATOM 296 CA ILE A 549 -2.063 -1.479 5.535 1.00 0.00 C ATOM 297 C ILE A 549 -2.066 -0.031 6.029 1.00 0.00 C ATOM 298 O ILE A 549 -3.123 0.587 6.143 1.00 0.00 O ATOM 299 CB ILE A 549 -2.002 -1.609 4.012 1.00 0.00 C ATOM 300 CG1 ILE A 549 -1.279 -0.414 3.388 1.00 0.00 C ATOM 301 CG2 ILE A 549 -3.400 -1.806 3.422 1.00 0.00 C ATOM 302 CD1 ILE A 549 -0.611 -0.805 2.068 1.00 0.00 C ATOM 0 H ILE A 549 -4.114 -1.675 5.921 1.00 0.00 H new ATOM 0 HA ILE A 549 -1.149 -1.941 5.908 1.00 0.00 H new ATOM 0 HB ILE A 549 -1.422 -2.499 3.768 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -1.989 0.395 3.215 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -0.528 -0.036 4.082 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -3.328 -1.896 2.338 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -3.844 -2.713 3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -4.025 -0.950 3.675 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -0.104 0.063 1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 549 0.116 -1.597 2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -1.368 -1.159 1.368 1.00 0.00 H new ATOM 314 N HIS A 550 -0.871 0.468 6.309 1.00 0.00 N ATOM 315 CA HIS A 550 -0.723 1.831 6.788 1.00 0.00 C ATOM 316 C HIS A 550 0.297 2.572 5.920 1.00 0.00 C ATOM 317 O HIS A 550 1.465 2.191 5.867 1.00 0.00 O ATOM 318 CB HIS A 550 -0.360 1.849 8.274 1.00 0.00 C ATOM 319 CG HIS A 550 -0.702 3.142 8.974 1.00 0.00 C ATOM 320 ND1 HIS A 550 -1.326 4.199 8.335 1.00 0.00 N ATOM 321 CD2 HIS A 550 -0.501 3.537 10.264 1.00 0.00 C ATOM 322 CE1 HIS A 550 -1.488 5.181 9.210 1.00 0.00 C ATOM 323 NE2 HIS A 550 -0.975 4.769 10.405 1.00 0.00 N ATOM 0 H HIS A 550 0.004 -0.048 6.213 1.00 0.00 H new ATOM 0 HA HIS A 550 -1.674 2.356 6.700 1.00 0.00 H new ATOM 0 HB2 HIS A 550 -0.877 1.030 8.774 1.00 0.00 H new ATOM 0 HB3 HIS A 550 0.709 1.663 8.379 1.00 0.00 H new ATOM 0 HD2 HIS A 550 -0.035 2.947 11.040 1.00 0.00 H new ATOM 0 HE1 HIS A 550 -1.946 6.139 9.012 1.00 0.00 H new ATOM 0 HE2 HIS A 550 -0.958 5.317 11.265 1.00 0.00 H new ATOM 331 N TYR A 551 -0.183 3.617 5.262 1.00 0.00 N ATOM 332 CA TYR A 551 0.672 4.415 4.400 1.00 0.00 C ATOM 333 C TYR A 551 0.571 5.901 4.750 1.00 0.00 C ATOM 334 O TYR A 551 -0.396 6.330 5.377 1.00 0.00 O ATOM 335 CB TYR A 551 0.152 4.202 2.977 1.00 0.00 C ATOM 336 CG TYR A 551 -1.324 3.807 2.907 1.00 0.00 C ATOM 337 CD1 TYR A 551 -2.291 4.658 3.402 1.00 0.00 C ATOM 338 CD2 TYR A 551 -1.689 2.599 2.348 1.00 0.00 C ATOM 339 CE1 TYR A 551 -3.680 4.286 3.336 1.00 0.00 C ATOM 340 CE2 TYR A 551 -3.079 2.227 2.282 1.00 0.00 C ATOM 341 CZ TYR A 551 -4.006 3.089 2.779 1.00 0.00 C ATOM 342 OH TYR A 551 -5.318 2.737 2.717 1.00 0.00 O ATOM 0 H TYR A 551 -1.153 3.929 5.308 1.00 0.00 H new ATOM 0 HA TYR A 551 1.715 4.118 4.513 1.00 0.00 H new ATOM 0 HB2 TYR A 551 0.300 5.119 2.406 1.00 0.00 H new ATOM 0 HB3 TYR A 551 0.748 3.427 2.495 1.00 0.00 H new ATOM 0 HD1 TYR A 551 -2.006 5.603 3.839 1.00 0.00 H new ATOM 0 HD2 TYR A 551 -0.933 1.933 1.960 1.00 0.00 H new ATOM 0 HE1 TYR A 551 -4.446 4.943 3.720 1.00 0.00 H new ATOM 0 HE2 TYR A 551 -3.378 1.285 1.848 1.00 0.00 H new ATOM 0 HH TYR A 551 -5.411 1.912 2.196 1.00 0.00 H new ATOM 352 N ARG A 552 1.584 6.645 4.330 1.00 0.00 N ATOM 353 CA ARG A 552 1.621 8.074 4.591 1.00 0.00 C ATOM 354 C ARG A 552 2.243 8.815 3.406 1.00 0.00 C ATOM 355 O ARG A 552 3.069 8.257 2.685 1.00 0.00 O ATOM 356 CB ARG A 552 2.426 8.382 5.855 1.00 0.00 C ATOM 357 CG ARG A 552 3.517 9.416 5.572 1.00 0.00 C ATOM 358 CD ARG A 552 4.238 9.820 6.860 1.00 0.00 C ATOM 359 NE ARG A 552 5.622 9.296 6.851 1.00 0.00 N ATOM 360 CZ ARG A 552 6.628 9.804 7.595 1.00 0.00 C ATOM 361 NH1 ARG A 552 6.411 10.855 8.415 1.00 0.00 N ATOM 362 NH2 ARG A 552 7.826 9.257 7.509 1.00 0.00 N ATOM 0 H ARG A 552 2.385 6.285 3.811 1.00 0.00 H new ATOM 0 HA ARG A 552 0.595 8.411 4.736 1.00 0.00 H new ATOM 0 HB2 ARG A 552 1.760 8.755 6.633 1.00 0.00 H new ATOM 0 HB3 ARG A 552 2.878 7.466 6.235 1.00 0.00 H new ATOM 0 HG2 ARG A 552 4.236 9.006 4.862 1.00 0.00 H new ATOM 0 HG3 ARG A 552 3.076 10.297 5.106 1.00 0.00 H new ATOM 0 HD2 ARG A 552 4.252 10.906 6.953 1.00 0.00 H new ATOM 0 HD3 ARG A 552 3.699 9.433 7.725 1.00 0.00 H new ATOM 0 HE ARG A 552 5.829 8.502 6.245 1.00 0.00 H new ATOM 0 HH11 ARG A 552 5.482 11.271 8.476 1.00 0.00 H new ATOM 0 HH12 ARG A 552 7.176 11.233 8.974 1.00 0.00 H new ATOM 0 HH21 ARG A 552 7.981 8.463 6.888 1.00 0.00 H new ATOM 0 HH22 ARG A 552 8.597 9.628 8.064 1.00 0.00 H new ATOM 375 N PRO A 553 1.812 10.093 3.236 1.00 0.00 N ATOM 376 CA PRO A 553 2.318 10.916 2.150 1.00 0.00 C ATOM 377 C PRO A 553 3.740 11.398 2.445 1.00 0.00 C ATOM 378 O PRO A 553 4.145 11.477 3.604 1.00 0.00 O ATOM 379 CB PRO A 553 1.319 12.055 2.021 1.00 0.00 C ATOM 380 CG PRO A 553 0.550 12.085 3.332 1.00 0.00 C ATOM 381 CD PRO A 553 0.834 10.787 4.070 1.00 0.00 C ATOM 0 HA PRO A 553 2.401 10.369 1.211 1.00 0.00 H new ATOM 0 HB2 PRO A 553 1.828 13.003 1.845 1.00 0.00 H new ATOM 0 HB3 PRO A 553 0.648 11.892 1.178 1.00 0.00 H new ATOM 0 HG2 PRO A 553 0.855 12.941 3.934 1.00 0.00 H new ATOM 0 HG3 PRO A 553 -0.519 12.192 3.145 1.00 0.00 H new ATOM 0 HD2 PRO A 553 1.229 10.977 5.068 1.00 0.00 H new ATOM 0 HD3 PRO A 553 -0.073 10.195 4.193 1.00 0.00 H new ATOM 389 N ALA A 554 4.458 11.708 1.376 1.00 0.00 N ATOM 390 CA ALA A 554 5.826 12.180 1.505 1.00 0.00 C ATOM 391 C ALA A 554 5.958 13.005 2.787 1.00 0.00 C ATOM 392 O ALA A 554 6.550 12.550 3.764 1.00 0.00 O ATOM 393 CB ALA A 554 6.212 12.976 0.257 1.00 0.00 C ATOM 0 H ALA A 554 4.118 11.642 0.417 1.00 0.00 H new ATOM 0 HA ALA A 554 6.516 11.340 1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 554 7.238 13.330 0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 554 6.130 12.337 -0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 554 5.543 13.829 0.148 1.00 0.00 H new ATOM 399 N GLY A 555 5.396 14.204 2.741 1.00 0.00 N ATOM 400 CA GLY A 555 5.443 15.097 3.886 1.00 0.00 C ATOM 401 C GLY A 555 4.039 15.563 4.275 1.00 0.00 C ATOM 402 O GLY A 555 3.590 16.623 3.840 1.00 0.00 O ATOM 0 H GLY A 555 4.906 14.578 1.928 1.00 0.00 H new ATOM 0 HA2 GLY A 555 5.908 14.588 4.730 1.00 0.00 H new ATOM 0 HA3 GLY A 555 6.065 15.961 3.653 1.00 0.00 H new ATOM 406 N GLY A 556 3.384 14.750 5.091 1.00 0.00 N ATOM 407 CA GLY A 556 2.040 15.066 5.543 1.00 0.00 C ATOM 408 C GLY A 556 1.809 14.560 6.969 1.00 0.00 C ATOM 409 O GLY A 556 2.077 15.272 7.935 1.00 0.00 O ATOM 0 H GLY A 556 3.760 13.873 5.451 1.00 0.00 H new ATOM 0 HA2 GLY A 556 1.884 16.144 5.506 1.00 0.00 H new ATOM 0 HA3 GLY A 556 1.311 14.615 4.870 1.00 0.00 H new ATOM 413 N SER A 557 1.313 13.334 7.054 1.00 0.00 N ATOM 414 CA SER A 557 1.042 12.725 8.345 1.00 0.00 C ATOM 415 C SER A 557 0.785 11.226 8.173 1.00 0.00 C ATOM 416 O SER A 557 0.841 10.707 7.059 1.00 0.00 O ATOM 417 CB SER A 557 -0.152 13.392 9.030 1.00 0.00 C ATOM 418 OG SER A 557 -0.536 12.709 10.220 1.00 0.00 O ATOM 0 H SER A 557 1.092 12.746 6.250 1.00 0.00 H new ATOM 0 HA SER A 557 1.917 12.868 8.980 1.00 0.00 H new ATOM 0 HB2 SER A 557 0.099 14.425 9.270 1.00 0.00 H new ATOM 0 HB3 SER A 557 -0.996 13.421 8.340 1.00 0.00 H new ATOM 0 HG SER A 557 -1.300 13.167 10.628 1.00 0.00 H new ATOM 424 N TRP A 558 0.509 10.573 9.292 1.00 0.00 N ATOM 425 CA TRP A 558 0.243 9.145 9.279 1.00 0.00 C ATOM 426 C TRP A 558 -1.248 8.938 9.549 1.00 0.00 C ATOM 427 O TRP A 558 -1.745 9.296 10.616 1.00 0.00 O ATOM 428 CB TRP A 558 1.139 8.411 10.279 1.00 0.00 C ATOM 429 CG TRP A 558 2.530 8.073 9.738 1.00 0.00 C ATOM 430 CD1 TRP A 558 3.680 8.726 9.953 1.00 0.00 C ATOM 431 CD2 TRP A 558 2.872 6.966 8.878 1.00 0.00 C ATOM 432 NE1 TRP A 558 4.734 8.124 9.297 1.00 0.00 N ATOM 433 CE2 TRP A 558 4.227 7.019 8.623 1.00 0.00 C ATOM 434 CE3 TRP A 558 2.063 5.953 8.334 1.00 0.00 C ATOM 435 CZ2 TRP A 558 4.892 6.087 7.817 1.00 0.00 C ATOM 436 CZ3 TRP A 558 2.743 5.029 7.531 1.00 0.00 C ATOM 437 CH2 TRP A 558 4.107 5.069 7.264 1.00 0.00 C ATOM 0 H TRP A 558 0.464 11.007 10.214 1.00 0.00 H new ATOM 0 HA TRP A 558 0.482 8.718 8.305 1.00 0.00 H new ATOM 0 HB2 TRP A 558 1.248 9.025 11.173 1.00 0.00 H new ATOM 0 HB3 TRP A 558 0.645 7.488 10.584 1.00 0.00 H new ATOM 0 HD1 TRP A 558 3.771 9.612 10.563 1.00 0.00 H new ATOM 0 HE1 TRP A 558 5.706 8.433 9.305 1.00 0.00 H new ATOM 0 HE3 TRP A 558 1.001 5.892 8.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 558 5.954 6.150 7.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 558 2.168 4.229 7.088 1.00 0.00 H new ATOM 0 HH2 TRP A 558 4.559 4.318 6.633 1.00 0.00 H new ATOM 448 N THR A 559 -1.921 8.362 8.564 1.00 0.00 N ATOM 449 CA THR A 559 -3.346 8.104 8.682 1.00 0.00 C ATOM 450 C THR A 559 -3.661 7.455 10.031 1.00 0.00 C ATOM 451 O THR A 559 -2.752 7.129 10.793 1.00 0.00 O ATOM 452 CB THR A 559 -3.774 7.254 7.484 1.00 0.00 C ATOM 453 OG1 THR A 559 -3.127 7.870 6.373 1.00 0.00 O ATOM 454 CG2 THR A 559 -5.265 7.391 7.170 1.00 0.00 C ATOM 0 H THR A 559 -1.506 8.067 7.680 1.00 0.00 H new ATOM 0 HA THR A 559 -3.918 9.031 8.662 1.00 0.00 H new ATOM 0 HB THR A 559 -3.540 6.208 7.680 1.00 0.00 H new ATOM 0 HG1 THR A 559 -3.349 7.381 5.553 1.00 0.00 H new ATOM 0 HG21 THR A 559 -5.515 6.767 6.312 1.00 0.00 H new ATOM 0 HG22 THR A 559 -5.849 7.072 8.033 1.00 0.00 H new ATOM 0 HG23 THR A 559 -5.495 8.432 6.941 1.00 0.00 H new ATOM 462 N ALA A 560 -4.950 7.286 10.284 1.00 0.00 N ATOM 463 CA ALA A 560 -5.396 6.681 11.528 1.00 0.00 C ATOM 464 C ALA A 560 -5.084 5.184 11.502 1.00 0.00 C ATOM 465 O ALA A 560 -5.733 4.423 10.786 1.00 0.00 O ATOM 466 CB ALA A 560 -6.886 6.963 11.727 1.00 0.00 C ATOM 0 H ALA A 560 -5.700 7.557 9.649 1.00 0.00 H new ATOM 0 HA ALA A 560 -4.866 7.113 12.377 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -7.221 6.509 12.660 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -7.050 8.040 11.768 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -7.450 6.541 10.895 1.00 0.00 H new ATOM 472 N ALA A 561 -4.090 4.805 12.292 1.00 0.00 N ATOM 473 CA ALA A 561 -3.684 3.412 12.369 1.00 0.00 C ATOM 474 C ALA A 561 -4.780 2.604 13.066 1.00 0.00 C ATOM 475 O ALA A 561 -5.305 3.022 14.096 1.00 0.00 O ATOM 476 CB ALA A 561 -2.338 3.312 13.090 1.00 0.00 C ATOM 0 H ALA A 561 -3.554 5.439 12.885 1.00 0.00 H new ATOM 0 HA ALA A 561 -3.551 2.995 11.371 1.00 0.00 H new ATOM 0 HB1 ALA A 561 -2.033 2.267 13.148 1.00 0.00 H new ATOM 0 HB2 ALA A 561 -1.587 3.879 12.539 1.00 0.00 H new ATOM 0 HB3 ALA A 561 -2.433 3.718 14.097 1.00 0.00 H new ATOM 482 N PRO A 562 -5.102 1.429 12.459 1.00 0.00 N ATOM 483 CA PRO A 562 -4.431 1.008 11.241 1.00 0.00 C ATOM 484 C PRO A 562 -4.931 1.808 10.036 1.00 0.00 C ATOM 485 O PRO A 562 -6.096 2.202 9.987 1.00 0.00 O ATOM 486 CB PRO A 562 -4.719 -0.480 11.127 1.00 0.00 C ATOM 487 CG PRO A 562 -5.917 -0.742 12.025 1.00 0.00 C ATOM 488 CD PRO A 562 -6.108 0.475 12.916 1.00 0.00 C ATOM 0 HA PRO A 562 -3.357 1.191 11.267 1.00 0.00 H new ATOM 0 HB2 PRO A 562 -4.936 -0.758 10.096 1.00 0.00 H new ATOM 0 HB3 PRO A 562 -3.858 -1.070 11.442 1.00 0.00 H new ATOM 0 HG2 PRO A 562 -6.810 -0.921 11.427 1.00 0.00 H new ATOM 0 HG3 PRO A 562 -5.753 -1.635 12.628 1.00 0.00 H new ATOM 0 HD2 PRO A 562 -7.114 0.883 12.819 1.00 0.00 H new ATOM 0 HD3 PRO A 562 -5.966 0.223 13.967 1.00 0.00 H new ATOM 496 N GLY A 563 -4.026 2.024 9.092 1.00 0.00 N ATOM 497 CA GLY A 563 -4.361 2.769 7.891 1.00 0.00 C ATOM 498 C GLY A 563 -5.758 2.401 7.389 1.00 0.00 C ATOM 499 O GLY A 563 -6.760 2.846 7.948 1.00 0.00 O ATOM 0 H GLY A 563 -3.061 1.696 9.135 1.00 0.00 H new ATOM 0 HA2 GLY A 563 -4.315 3.838 8.097 1.00 0.00 H new ATOM 0 HA3 GLY A 563 -3.625 2.562 7.114 1.00 0.00 H new ATOM 503 N VAL A 564 -5.782 1.592 6.340 1.00 0.00 N ATOM 504 CA VAL A 564 -7.040 1.160 5.756 1.00 0.00 C ATOM 505 C VAL A 564 -6.961 -0.333 5.433 1.00 0.00 C ATOM 506 O VAL A 564 -5.870 -0.885 5.296 1.00 0.00 O ATOM 507 CB VAL A 564 -7.374 2.019 4.535 1.00 0.00 C ATOM 508 CG1 VAL A 564 -8.881 2.041 4.275 1.00 0.00 C ATOM 509 CG2 VAL A 564 -6.825 3.438 4.697 1.00 0.00 C ATOM 0 H VAL A 564 -4.950 1.224 5.879 1.00 0.00 H new ATOM 0 HA VAL A 564 -7.856 1.297 6.465 1.00 0.00 H new ATOM 0 HB VAL A 564 -6.891 1.569 3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 564 -9.091 2.659 3.402 1.00 0.00 H new ATOM 0 HG12 VAL A 564 -9.234 1.026 4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 564 -9.394 2.454 5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 564 -7.076 4.028 3.816 1.00 0.00 H new ATOM 0 HG22 VAL A 564 -7.266 3.900 5.580 1.00 0.00 H new ATOM 0 HG23 VAL A 564 -5.742 3.398 4.811 1.00 0.00 H new ATOM 519 N LYS A 565 -8.131 -0.945 5.319 1.00 0.00 N ATOM 520 CA LYS A 565 -8.207 -2.363 5.014 1.00 0.00 C ATOM 521 C LYS A 565 -8.241 -2.553 3.496 1.00 0.00 C ATOM 522 O LYS A 565 -9.233 -2.226 2.848 1.00 0.00 O ATOM 523 CB LYS A 565 -9.392 -3.004 5.740 1.00 0.00 C ATOM 524 CG LYS A 565 -9.306 -4.531 5.688 1.00 0.00 C ATOM 525 CD LYS A 565 -9.929 -5.072 4.400 1.00 0.00 C ATOM 526 CE LYS A 565 -11.017 -6.103 4.707 1.00 0.00 C ATOM 527 NZ LYS A 565 -10.534 -7.470 4.408 1.00 0.00 N ATOM 0 H LYS A 565 -9.034 -0.484 5.433 1.00 0.00 H new ATOM 0 HA LYS A 565 -7.320 -2.879 5.381 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -9.410 -2.672 6.778 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -10.325 -2.673 5.284 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -8.263 -4.842 5.750 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -9.818 -4.957 6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -10.354 -4.250 3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -9.156 -5.528 3.781 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -11.306 -6.034 5.756 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -11.907 -5.888 4.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -11.284 -8.158 4.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -10.280 -7.536 3.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -9.698 -7.678 4.990 1.00 0.00 H new ATOM 540 N MET A 566 -7.144 -3.081 2.974 1.00 0.00 N ATOM 541 CA MET A 566 -7.035 -3.318 1.545 1.00 0.00 C ATOM 542 C MET A 566 -8.384 -3.731 0.953 1.00 0.00 C ATOM 543 O MET A 566 -9.053 -4.617 1.482 1.00 0.00 O ATOM 544 CB MET A 566 -6.006 -4.421 1.287 1.00 0.00 C ATOM 545 CG MET A 566 -4.585 -3.853 1.277 1.00 0.00 C ATOM 546 SD MET A 566 -3.903 -3.941 -0.370 1.00 0.00 S ATOM 547 CE MET A 566 -2.780 -2.555 -0.316 1.00 0.00 C ATOM 0 H MET A 566 -6.323 -3.351 3.515 1.00 0.00 H new ATOM 0 HA MET A 566 -6.717 -2.392 1.066 1.00 0.00 H new ATOM 0 HB2 MET A 566 -6.089 -5.188 2.057 1.00 0.00 H new ATOM 0 HB3 MET A 566 -6.216 -4.903 0.332 1.00 0.00 H new ATOM 0 HG2 MET A 566 -4.596 -2.818 1.620 1.00 0.00 H new ATOM 0 HG3 MET A 566 -3.956 -4.412 1.970 1.00 0.00 H new ATOM 0 HE1 MET A 566 -2.623 -2.175 -1.325 1.00 0.00 H new ATOM 0 HE2 MET A 566 -3.204 -1.767 0.307 1.00 0.00 H new ATOM 0 HE3 MET A 566 -1.826 -2.875 0.104 1.00 0.00 H new ATOM 557 N GLN A 567 -8.744 -3.069 -0.137 1.00 0.00 N ATOM 558 CA GLN A 567 -10.001 -3.355 -0.806 1.00 0.00 C ATOM 559 C GLN A 567 -9.756 -4.199 -2.058 1.00 0.00 C ATOM 560 O GLN A 567 -8.932 -3.844 -2.899 1.00 0.00 O ATOM 561 CB GLN A 567 -10.745 -2.064 -1.152 1.00 0.00 C ATOM 562 CG GLN A 567 -11.951 -2.349 -2.050 1.00 0.00 C ATOM 563 CD GLN A 567 -13.092 -1.371 -1.763 1.00 0.00 C ATOM 564 OE1 GLN A 567 -12.911 -0.325 -1.161 1.00 0.00 O ATOM 565 NE2 GLN A 567 -14.274 -1.769 -2.225 1.00 0.00 N ATOM 0 H GLN A 567 -8.186 -2.335 -0.573 1.00 0.00 H new ATOM 0 HA GLN A 567 -10.631 -3.926 -0.124 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -11.077 -1.575 -0.236 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -10.068 -1.374 -1.655 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -11.656 -2.272 -3.096 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -12.294 -3.371 -1.890 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -14.355 -2.657 -2.721 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -15.099 -1.186 -2.084 1.00 0.00 H new ATOM 574 N ASP A 568 -10.486 -5.302 -2.142 1.00 0.00 N ATOM 575 CA ASP A 568 -10.358 -6.200 -3.278 1.00 0.00 C ATOM 576 C ASP A 568 -10.267 -5.377 -4.565 1.00 0.00 C ATOM 577 O ASP A 568 -10.839 -4.292 -4.654 1.00 0.00 O ATOM 578 CB ASP A 568 -11.573 -7.122 -3.390 1.00 0.00 C ATOM 579 CG ASP A 568 -11.250 -8.617 -3.423 1.00 0.00 C ATOM 580 OD1 ASP A 568 -11.442 -9.290 -4.446 1.00 0.00 O ATOM 581 OD2 ASP A 568 -10.775 -9.096 -2.323 1.00 0.00 O ATOM 0 H ASP A 568 -11.168 -5.594 -1.442 1.00 0.00 H new ATOM 0 HA ASP A 568 -9.461 -6.802 -3.133 1.00 0.00 H new ATOM 0 HB2 ASP A 568 -12.236 -6.928 -2.547 1.00 0.00 H new ATOM 0 HB3 ASP A 568 -12.123 -6.865 -4.295 1.00 0.00 H new ATOM 587 N ALA A 569 -9.544 -5.926 -5.530 1.00 0.00 N ATOM 588 CA ALA A 569 -9.371 -5.257 -6.808 1.00 0.00 C ATOM 589 C ALA A 569 -10.517 -5.649 -7.743 1.00 0.00 C ATOM 590 O ALA A 569 -11.655 -5.808 -7.304 1.00 0.00 O ATOM 591 CB ALA A 569 -8.000 -5.609 -7.387 1.00 0.00 C ATOM 0 H ALA A 569 -9.071 -6.827 -5.452 1.00 0.00 H new ATOM 0 HA ALA A 569 -9.404 -4.175 -6.682 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -7.870 -5.107 -8.346 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -7.220 -5.284 -6.699 1.00 0.00 H new ATOM 0 HB3 ALA A 569 -7.931 -6.687 -7.530 1.00 0.00 H new ATOM 597 N GLU A 570 -10.177 -5.793 -9.015 1.00 0.00 N ATOM 598 CA GLU A 570 -11.163 -6.164 -10.016 1.00 0.00 C ATOM 599 C GLU A 570 -10.709 -7.414 -10.772 1.00 0.00 C ATOM 600 O GLU A 570 -11.321 -7.799 -11.767 1.00 0.00 O ATOM 601 CB GLU A 570 -11.428 -5.005 -10.980 1.00 0.00 C ATOM 602 CG GLU A 570 -10.191 -4.707 -11.832 1.00 0.00 C ATOM 603 CD GLU A 570 -10.451 -3.540 -12.786 1.00 0.00 C ATOM 604 OE1 GLU A 570 -11.400 -3.589 -13.582 1.00 0.00 O ATOM 605 OE2 GLU A 570 -9.625 -2.555 -12.679 1.00 0.00 O ATOM 0 H GLU A 570 -9.232 -5.659 -9.376 1.00 0.00 H new ATOM 0 HA GLU A 570 -12.100 -6.392 -9.508 1.00 0.00 H new ATOM 0 HB2 GLU A 570 -12.270 -5.251 -11.628 1.00 0.00 H new ATOM 0 HB3 GLU A 570 -11.709 -4.115 -10.416 1.00 0.00 H new ATOM 0 HG2 GLU A 570 -9.347 -4.471 -11.184 1.00 0.00 H new ATOM 0 HG3 GLU A 570 -9.916 -5.594 -12.403 1.00 0.00 H new ATOM 613 N ILE A 571 -9.638 -8.013 -10.272 1.00 0.00 N ATOM 614 CA ILE A 571 -9.094 -9.211 -10.887 1.00 0.00 C ATOM 615 C ILE A 571 -9.847 -10.435 -10.363 1.00 0.00 C ATOM 616 O ILE A 571 -10.895 -10.800 -10.895 1.00 0.00 O ATOM 617 CB ILE A 571 -7.581 -9.283 -10.676 1.00 0.00 C ATOM 618 CG1 ILE A 571 -6.884 -8.067 -11.289 1.00 0.00 C ATOM 619 CG2 ILE A 571 -7.014 -10.599 -11.212 1.00 0.00 C ATOM 620 CD1 ILE A 571 -6.753 -8.216 -12.806 1.00 0.00 C ATOM 0 H ILE A 571 -9.132 -7.690 -9.447 1.00 0.00 H new ATOM 0 HA ILE A 571 -9.240 -9.184 -11.967 1.00 0.00 H new ATOM 0 HB ILE A 571 -7.384 -9.261 -9.604 1.00 0.00 H new ATOM 0 HG12 ILE A 571 -7.449 -7.164 -11.056 1.00 0.00 H new ATOM 0 HG13 ILE A 571 -5.896 -7.948 -10.845 1.00 0.00 H new ATOM 0 HG21 ILE A 571 -5.937 -10.624 -11.049 1.00 0.00 H new ATOM 0 HG22 ILE A 571 -7.479 -11.435 -10.690 1.00 0.00 H new ATOM 0 HG23 ILE A 571 -7.222 -10.677 -12.279 1.00 0.00 H new ATOM 0 HD11 ILE A 571 -6.254 -7.338 -13.216 1.00 0.00 H new ATOM 0 HD12 ILE A 571 -6.167 -9.106 -13.035 1.00 0.00 H new ATOM 0 HD13 ILE A 571 -7.744 -8.310 -13.249 1.00 0.00 H new ATOM 632 N SER A 572 -9.284 -11.037 -9.325 1.00 0.00 N ATOM 633 CA SER A 572 -9.889 -12.212 -8.722 1.00 0.00 C ATOM 634 C SER A 572 -8.982 -12.760 -7.618 1.00 0.00 C ATOM 635 O SER A 572 -8.071 -13.541 -7.888 1.00 0.00 O ATOM 636 CB SER A 572 -10.158 -13.293 -9.772 1.00 0.00 C ATOM 637 OG SER A 572 -11.506 -13.753 -9.730 1.00 0.00 O ATOM 0 H SER A 572 -8.415 -10.732 -8.886 1.00 0.00 H new ATOM 0 HA SER A 572 -10.845 -11.919 -8.287 1.00 0.00 H new ATOM 0 HB2 SER A 572 -9.941 -12.897 -10.764 1.00 0.00 H new ATOM 0 HB3 SER A 572 -9.483 -14.133 -9.609 1.00 0.00 H new ATOM 0 HG SER A 572 -11.639 -14.440 -10.416 1.00 0.00 H new ATOM 643 N GLY A 573 -9.263 -12.327 -6.397 1.00 0.00 N ATOM 644 CA GLY A 573 -8.484 -12.764 -5.251 1.00 0.00 C ATOM 645 C GLY A 573 -7.362 -11.772 -4.941 1.00 0.00 C ATOM 646 O GLY A 573 -6.518 -12.032 -4.084 1.00 0.00 O ATOM 0 H GLY A 573 -10.019 -11.679 -6.177 1.00 0.00 H new ATOM 0 HA2 GLY A 573 -9.134 -12.866 -4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 573 -8.060 -13.748 -5.449 1.00 0.00 H new ATOM 650 N TYR A 574 -7.387 -10.656 -5.655 1.00 0.00 N ATOM 651 CA TYR A 574 -6.382 -9.624 -5.467 1.00 0.00 C ATOM 652 C TYR A 574 -6.952 -8.439 -4.685 1.00 0.00 C ATOM 653 O TYR A 574 -8.168 -8.268 -4.609 1.00 0.00 O ATOM 654 CB TYR A 574 -5.992 -9.154 -6.870 1.00 0.00 C ATOM 655 CG TYR A 574 -4.501 -9.296 -7.182 1.00 0.00 C ATOM 656 CD1 TYR A 574 -3.583 -8.484 -6.547 1.00 0.00 C ATOM 657 CD2 TYR A 574 -4.075 -10.236 -8.098 1.00 0.00 C ATOM 658 CE1 TYR A 574 -2.180 -8.618 -6.841 1.00 0.00 C ATOM 659 CE2 TYR A 574 -2.671 -10.370 -8.392 1.00 0.00 C ATOM 660 CZ TYR A 574 -1.793 -9.554 -7.749 1.00 0.00 C ATOM 661 OH TYR A 574 -0.468 -9.680 -8.026 1.00 0.00 O ATOM 0 H TYR A 574 -8.088 -10.444 -6.365 1.00 0.00 H new ATOM 0 HA TYR A 574 -5.533 -10.014 -4.906 1.00 0.00 H new ATOM 0 HB2 TYR A 574 -6.562 -9.723 -7.604 1.00 0.00 H new ATOM 0 HB3 TYR A 574 -6.279 -8.109 -6.985 1.00 0.00 H new ATOM 0 HD1 TYR A 574 -3.917 -7.749 -5.830 1.00 0.00 H new ATOM 0 HD2 TYR A 574 -4.794 -10.871 -8.594 1.00 0.00 H new ATOM 0 HE1 TYR A 574 -1.451 -7.989 -6.351 1.00 0.00 H new ATOM 0 HE2 TYR A 574 -2.324 -11.102 -9.107 1.00 0.00 H new ATOM 0 HH TYR A 574 -0.339 -10.388 -8.691 1.00 0.00 H new ATOM 671 N ALA A 575 -6.047 -7.651 -4.123 1.00 0.00 N ATOM 672 CA ALA A 575 -6.445 -6.487 -3.350 1.00 0.00 C ATOM 673 C ALA A 575 -5.944 -5.221 -4.048 1.00 0.00 C ATOM 674 O ALA A 575 -4.973 -5.267 -4.802 1.00 0.00 O ATOM 675 CB ALA A 575 -5.911 -6.616 -1.922 1.00 0.00 C ATOM 0 H ALA A 575 -5.039 -7.796 -4.188 1.00 0.00 H new ATOM 0 HA ALA A 575 -7.531 -6.421 -3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 575 -6.209 -5.743 -1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 575 -6.319 -7.515 -1.461 1.00 0.00 H new ATOM 0 HB3 ALA A 575 -4.823 -6.682 -1.945 1.00 0.00 H new ATOM 681 N LYS A 576 -6.628 -4.121 -3.771 1.00 0.00 N ATOM 682 CA LYS A 576 -6.265 -2.845 -4.362 1.00 0.00 C ATOM 683 C LYS A 576 -6.684 -1.713 -3.422 1.00 0.00 C ATOM 684 O LYS A 576 -7.764 -1.758 -2.834 1.00 0.00 O ATOM 685 CB LYS A 576 -6.848 -2.722 -5.771 1.00 0.00 C ATOM 686 CG LYS A 576 -8.270 -2.158 -5.728 1.00 0.00 C ATOM 687 CD LYS A 576 -8.805 -1.911 -7.140 1.00 0.00 C ATOM 688 CE LYS A 576 -8.842 -0.415 -7.458 1.00 0.00 C ATOM 689 NZ LYS A 576 -10.217 0.008 -7.803 1.00 0.00 N ATOM 0 H LYS A 576 -7.432 -4.087 -3.145 1.00 0.00 H new ATOM 0 HA LYS A 576 -5.184 -2.775 -4.482 1.00 0.00 H new ATOM 0 HB2 LYS A 576 -6.214 -2.074 -6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 576 -6.855 -3.700 -6.252 1.00 0.00 H new ATOM 0 HG2 LYS A 576 -8.925 -2.854 -5.204 1.00 0.00 H new ATOM 0 HG3 LYS A 576 -8.278 -1.225 -5.164 1.00 0.00 H new ATOM 0 HD2 LYS A 576 -8.176 -2.425 -7.866 1.00 0.00 H new ATOM 0 HD3 LYS A 576 -9.807 -2.331 -7.232 1.00 0.00 H new ATOM 0 HE2 LYS A 576 -8.485 0.154 -6.600 1.00 0.00 H new ATOM 0 HE3 LYS A 576 -8.169 -0.197 -8.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 576 -10.224 1.026 -8.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 576 -10.545 -0.522 -8.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 576 -10.850 -0.182 -7.000 1.00 0.00 H new ATOM 702 N ILE A 577 -5.808 -0.726 -3.308 1.00 0.00 N ATOM 703 CA ILE A 577 -6.075 0.415 -2.449 1.00 0.00 C ATOM 704 C ILE A 577 -5.554 1.687 -3.121 1.00 0.00 C ATOM 705 O ILE A 577 -4.604 1.637 -3.900 1.00 0.00 O ATOM 706 CB ILE A 577 -5.499 0.179 -1.051 1.00 0.00 C ATOM 707 CG1 ILE A 577 -4.147 0.878 -0.890 1.00 0.00 C ATOM 708 CG2 ILE A 577 -5.412 -1.316 -0.739 1.00 0.00 C ATOM 709 CD1 ILE A 577 -4.320 2.396 -0.814 1.00 0.00 C ATOM 0 H ILE A 577 -4.913 -0.693 -3.796 1.00 0.00 H new ATOM 0 HA ILE A 577 -7.148 0.544 -2.310 1.00 0.00 H new ATOM 0 HB ILE A 577 -6.179 0.621 -0.322 1.00 0.00 H new ATOM 0 HG12 ILE A 577 -3.653 0.519 0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 577 -3.500 0.624 -1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 577 -4.999 -1.456 0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 577 -6.408 -1.756 -0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 577 -4.766 -1.803 -1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 577 -3.344 2.868 -0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 577 -4.792 2.755 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 577 -4.947 2.648 0.041 1.00 0.00 H new ATOM 721 N THR A 578 -6.201 2.797 -2.796 1.00 0.00 N ATOM 722 CA THR A 578 -5.815 4.080 -3.359 1.00 0.00 C ATOM 723 C THR A 578 -5.614 5.112 -2.247 1.00 0.00 C ATOM 724 O THR A 578 -6.421 5.199 -1.323 1.00 0.00 O ATOM 725 CB THR A 578 -6.879 4.487 -4.380 1.00 0.00 C ATOM 726 OG1 THR A 578 -6.983 3.357 -5.242 1.00 0.00 O ATOM 727 CG2 THR A 578 -6.407 5.615 -5.300 1.00 0.00 C ATOM 0 H THR A 578 -6.990 2.834 -2.150 1.00 0.00 H new ATOM 0 HA THR A 578 -4.857 4.014 -3.875 1.00 0.00 H new ATOM 0 HB THR A 578 -7.783 4.799 -3.857 1.00 0.00 H new ATOM 0 HG1 THR A 578 -6.325 3.435 -5.964 1.00 0.00 H new ATOM 0 HG21 THR A 578 -7.200 5.865 -6.005 1.00 0.00 H new ATOM 0 HG22 THR A 578 -6.162 6.493 -4.703 1.00 0.00 H new ATOM 0 HG23 THR A 578 -5.522 5.291 -5.848 1.00 0.00 H new ATOM 735 N VAL A 579 -4.533 5.867 -2.373 1.00 0.00 N ATOM 736 CA VAL A 579 -4.216 6.889 -1.391 1.00 0.00 C ATOM 737 C VAL A 579 -3.877 8.196 -2.112 1.00 0.00 C ATOM 738 O VAL A 579 -2.933 8.248 -2.898 1.00 0.00 O ATOM 739 CB VAL A 579 -3.091 6.403 -0.474 1.00 0.00 C ATOM 740 CG1 VAL A 579 -2.580 7.538 0.415 1.00 0.00 C ATOM 741 CG2 VAL A 579 -3.547 5.209 0.367 1.00 0.00 C ATOM 0 H VAL A 579 -3.866 5.791 -3.141 1.00 0.00 H new ATOM 0 HA VAL A 579 -5.077 7.084 -0.752 1.00 0.00 H new ATOM 0 HB VAL A 579 -2.264 6.073 -1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 579 -1.781 7.166 1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 579 -2.198 8.345 -0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 579 -3.397 7.913 1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 579 -2.729 4.883 1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 579 -4.398 5.501 0.982 1.00 0.00 H new ATOM 0 HG23 VAL A 579 -3.839 4.391 -0.291 1.00 0.00 H new ATOM 751 N ASP A 580 -4.666 9.218 -1.818 1.00 0.00 N ATOM 752 CA ASP A 580 -4.462 10.521 -2.428 1.00 0.00 C ATOM 753 C ASP A 580 -3.363 11.268 -1.669 1.00 0.00 C ATOM 754 O ASP A 580 -3.445 11.433 -0.453 1.00 0.00 O ATOM 755 CB ASP A 580 -5.737 11.365 -2.365 1.00 0.00 C ATOM 756 CG ASP A 580 -6.934 10.680 -1.703 1.00 0.00 C ATOM 757 OD1 ASP A 580 -7.083 10.703 -0.472 1.00 0.00 O ATOM 758 OD2 ASP A 580 -7.746 10.096 -2.517 1.00 0.00 O ATOM 0 H ASP A 580 -5.448 9.171 -1.165 1.00 0.00 H new ATOM 0 HA ASP A 580 -4.184 10.365 -3.470 1.00 0.00 H new ATOM 0 HB2 ASP A 580 -5.519 12.285 -1.823 1.00 0.00 H new ATOM 0 HB3 ASP A 580 -6.016 11.651 -3.379 1.00 0.00 H new ATOM 764 N ILE A 581 -2.359 11.700 -2.419 1.00 0.00 N ATOM 765 CA ILE A 581 -1.245 12.425 -1.833 1.00 0.00 C ATOM 766 C ILE A 581 -1.444 13.925 -2.057 1.00 0.00 C ATOM 767 O ILE A 581 -1.462 14.702 -1.103 1.00 0.00 O ATOM 768 CB ILE A 581 0.084 11.894 -2.374 1.00 0.00 C ATOM 769 CG1 ILE A 581 0.232 12.203 -3.865 1.00 0.00 C ATOM 770 CG2 ILE A 581 0.238 10.400 -2.080 1.00 0.00 C ATOM 771 CD1 ILE A 581 1.403 11.427 -4.472 1.00 0.00 C ATOM 0 H ILE A 581 -2.294 11.561 -3.427 1.00 0.00 H new ATOM 0 HA ILE A 581 -1.211 12.265 -0.755 1.00 0.00 H new ATOM 0 HB ILE A 581 0.893 12.409 -1.857 1.00 0.00 H new ATOM 0 HG12 ILE A 581 -0.690 11.945 -4.387 1.00 0.00 H new ATOM 0 HG13 ILE A 581 0.388 13.273 -4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 581 1.191 10.048 -2.475 1.00 0.00 H new ATOM 0 HG22 ILE A 581 0.209 10.236 -1.003 1.00 0.00 H new ATOM 0 HG23 ILE A 581 -0.576 9.850 -2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 581 1.486 11.665 -5.533 1.00 0.00 H new ATOM 0 HD12 ILE A 581 2.326 11.706 -3.964 1.00 0.00 H new ATOM 0 HD13 ILE A 581 1.232 10.357 -4.352 1.00 0.00 H new ATOM 783 N GLY A 582 -1.589 14.288 -3.323 1.00 0.00 N ATOM 784 CA GLY A 582 -1.787 15.682 -3.684 1.00 0.00 C ATOM 785 C GLY A 582 -0.627 16.546 -3.187 1.00 0.00 C ATOM 786 O GLY A 582 -0.596 16.940 -2.022 1.00 0.00 O ATOM 0 H GLY A 582 -1.573 13.641 -4.112 1.00 0.00 H new ATOM 0 HA2 GLY A 582 -1.875 15.772 -4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 582 -2.723 16.043 -3.257 1.00 0.00 H new ATOM 790 N SER A 583 0.299 16.818 -4.095 1.00 0.00 N ATOM 791 CA SER A 583 1.458 17.629 -3.763 1.00 0.00 C ATOM 792 C SER A 583 2.576 16.743 -3.210 1.00 0.00 C ATOM 793 O SER A 583 3.450 17.219 -2.487 1.00 0.00 O ATOM 794 CB SER A 583 1.096 18.719 -2.753 1.00 0.00 C ATOM 795 OG SER A 583 1.915 19.876 -2.899 1.00 0.00 O ATOM 0 H SER A 583 0.270 16.491 -5.061 1.00 0.00 H new ATOM 0 HA SER A 583 1.806 18.116 -4.674 1.00 0.00 H new ATOM 0 HB2 SER A 583 0.050 18.997 -2.879 1.00 0.00 H new ATOM 0 HB3 SER A 583 1.201 18.326 -1.742 1.00 0.00 H new ATOM 0 HG SER A 583 1.651 20.549 -2.237 1.00 0.00 H new ATOM 801 N ALA A 584 2.511 15.469 -3.570 1.00 0.00 N ATOM 802 CA ALA A 584 3.507 14.513 -3.119 1.00 0.00 C ATOM 803 C ALA A 584 3.930 13.630 -4.295 1.00 0.00 C ATOM 804 O ALA A 584 3.107 13.280 -5.141 1.00 0.00 O ATOM 805 CB ALA A 584 2.942 13.699 -1.953 1.00 0.00 C ATOM 0 H ALA A 584 1.784 15.077 -4.169 1.00 0.00 H new ATOM 0 HA ALA A 584 4.397 15.028 -2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 584 3.689 12.981 -1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 584 2.684 14.369 -1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 584 2.049 13.166 -2.280 1.00 0.00 H new ATOM 811 N SER A 585 5.212 13.295 -4.312 1.00 0.00 N ATOM 812 CA SER A 585 5.753 12.460 -5.371 1.00 0.00 C ATOM 813 C SER A 585 6.224 11.123 -4.794 1.00 0.00 C ATOM 814 O SER A 585 6.736 10.275 -5.522 1.00 0.00 O ATOM 815 CB SER A 585 6.906 13.162 -6.091 1.00 0.00 C ATOM 816 OG SER A 585 8.030 13.355 -5.238 1.00 0.00 O ATOM 0 H SER A 585 5.892 13.587 -3.609 1.00 0.00 H new ATOM 0 HA SER A 585 4.963 12.277 -6.099 1.00 0.00 H new ATOM 0 HB2 SER A 585 7.205 12.572 -6.957 1.00 0.00 H new ATOM 0 HB3 SER A 585 6.565 14.127 -6.466 1.00 0.00 H new ATOM 0 HG SER A 585 8.745 13.804 -5.735 1.00 0.00 H new ATOM 822 N GLN A 586 6.034 10.978 -3.490 1.00 0.00 N ATOM 823 CA GLN A 586 6.433 9.759 -2.807 1.00 0.00 C ATOM 824 C GLN A 586 5.538 9.516 -1.590 1.00 0.00 C ATOM 825 O GLN A 586 5.214 10.449 -0.857 1.00 0.00 O ATOM 826 CB GLN A 586 7.907 9.815 -2.402 1.00 0.00 C ATOM 827 CG GLN A 586 8.817 9.611 -3.615 1.00 0.00 C ATOM 828 CD GLN A 586 10.291 9.644 -3.206 1.00 0.00 C ATOM 829 OE1 GLN A 586 10.748 10.532 -2.505 1.00 0.00 O ATOM 830 NE2 GLN A 586 11.007 8.629 -3.681 1.00 0.00 N ATOM 0 H GLN A 586 5.609 11.684 -2.889 1.00 0.00 H new ATOM 0 HA GLN A 586 6.312 8.923 -3.496 1.00 0.00 H new ATOM 0 HB2 GLN A 586 8.124 10.777 -1.938 1.00 0.00 H new ATOM 0 HB3 GLN A 586 8.112 9.047 -1.656 1.00 0.00 H new ATOM 0 HG2 GLN A 586 8.589 8.656 -4.089 1.00 0.00 H new ATOM 0 HG3 GLN A 586 8.623 10.388 -4.354 1.00 0.00 H new ATOM 0 HE21 GLN A 586 10.562 7.919 -4.262 1.00 0.00 H new ATOM 0 HE22 GLN A 586 12.001 8.561 -3.464 1.00 0.00 H new ATOM 839 N LEU A 587 5.164 8.257 -1.412 1.00 0.00 N ATOM 840 CA LEU A 587 4.314 7.879 -0.297 1.00 0.00 C ATOM 841 C LEU A 587 4.732 6.499 0.213 1.00 0.00 C ATOM 842 O LEU A 587 4.935 5.577 -0.576 1.00 0.00 O ATOM 843 CB LEU A 587 2.839 7.968 -0.693 1.00 0.00 C ATOM 844 CG LEU A 587 1.876 7.085 0.103 1.00 0.00 C ATOM 845 CD1 LEU A 587 0.505 7.751 0.237 1.00 0.00 C ATOM 846 CD2 LEU A 587 1.777 5.688 -0.511 1.00 0.00 C ATOM 0 H LEU A 587 5.435 7.486 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 587 4.440 8.576 0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 587 2.518 9.005 -0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 587 2.750 7.709 -1.748 1.00 0.00 H new ATOM 0 HG LEU A 587 2.276 6.966 1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 587 -0.160 7.102 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 587 0.613 8.705 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 587 0.085 7.921 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 587 1.086 5.081 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 587 1.413 5.766 -1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 587 2.761 5.220 -0.510 1.00 0.00 H new ATOM 858 N GLU A 588 4.847 6.399 1.529 1.00 0.00 N ATOM 859 CA GLU A 588 5.237 5.146 2.154 1.00 0.00 C ATOM 860 C GLU A 588 3.998 4.334 2.533 1.00 0.00 C ATOM 861 O GLU A 588 2.992 4.895 2.966 1.00 0.00 O ATOM 862 CB GLU A 588 6.125 5.395 3.375 1.00 0.00 C ATOM 863 CG GLU A 588 5.547 6.505 4.256 1.00 0.00 C ATOM 864 CD GLU A 588 6.264 7.833 4.006 1.00 0.00 C ATOM 865 OE1 GLU A 588 7.139 8.223 4.793 1.00 0.00 O ATOM 866 OE2 GLU A 588 5.884 8.467 2.949 1.00 0.00 O ATOM 0 H GLU A 588 4.677 7.165 2.180 1.00 0.00 H new ATOM 0 HA GLU A 588 5.819 4.569 1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 588 6.218 4.477 3.955 1.00 0.00 H new ATOM 0 HB3 GLU A 588 7.128 5.669 3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 588 4.482 6.619 4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 588 5.643 6.228 5.306 1.00 0.00 H new ATOM 874 N ALA A 589 4.110 3.026 2.358 1.00 0.00 N ATOM 875 CA ALA A 589 3.011 2.131 2.677 1.00 0.00 C ATOM 876 C ALA A 589 3.562 0.876 3.359 1.00 0.00 C ATOM 877 O ALA A 589 4.559 0.311 2.914 1.00 0.00 O ATOM 878 CB ALA A 589 2.231 1.806 1.401 1.00 0.00 C ATOM 0 H ALA A 589 4.946 2.564 1.999 1.00 0.00 H new ATOM 0 HA ALA A 589 2.318 2.606 3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 589 1.406 1.134 1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 589 1.836 2.727 0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 589 2.894 1.325 0.682 1.00 0.00 H new ATOM 884 N ALA A 590 2.887 0.479 4.428 1.00 0.00 N ATOM 885 CA ALA A 590 3.296 -0.698 5.175 1.00 0.00 C ATOM 886 C ALA A 590 2.149 -1.710 5.194 1.00 0.00 C ATOM 887 O ALA A 590 0.990 -1.343 5.005 1.00 0.00 O ATOM 888 CB ALA A 590 3.731 -0.283 6.582 1.00 0.00 C ATOM 0 H ALA A 590 2.060 0.951 4.794 1.00 0.00 H new ATOM 0 HA ALA A 590 4.150 -1.178 4.697 1.00 0.00 H new ATOM 0 HB1 ALA A 590 4.038 -1.166 7.143 1.00 0.00 H new ATOM 0 HB2 ALA A 590 4.567 0.413 6.514 1.00 0.00 H new ATOM 0 HB3 ALA A 590 2.898 0.200 7.093 1.00 0.00 H new ATOM 894 N PHE A 591 2.511 -2.963 5.425 1.00 0.00 N ATOM 895 CA PHE A 591 1.526 -4.030 5.471 1.00 0.00 C ATOM 896 C PHE A 591 1.625 -4.811 6.783 1.00 0.00 C ATOM 897 O PHE A 591 2.703 -5.270 7.156 1.00 0.00 O ATOM 898 CB PHE A 591 1.832 -4.973 4.306 1.00 0.00 C ATOM 899 CG PHE A 591 1.661 -4.333 2.926 1.00 0.00 C ATOM 900 CD1 PHE A 591 2.582 -3.441 2.471 1.00 0.00 C ATOM 901 CD2 PHE A 591 0.588 -4.656 2.156 1.00 0.00 C ATOM 902 CE1 PHE A 591 2.422 -2.848 1.191 1.00 0.00 C ATOM 903 CE2 PHE A 591 0.429 -4.063 0.875 1.00 0.00 C ATOM 904 CZ PHE A 591 1.350 -3.171 0.420 1.00 0.00 C ATOM 0 H PHE A 591 3.473 -3.263 5.582 1.00 0.00 H new ATOM 0 HA PHE A 591 0.522 -3.612 5.403 1.00 0.00 H new ATOM 0 HB2 PHE A 591 2.856 -5.334 4.403 1.00 0.00 H new ATOM 0 HB3 PHE A 591 1.179 -5.843 4.375 1.00 0.00 H new ATOM 0 HD1 PHE A 591 3.434 -3.184 3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 591 -0.143 -5.363 2.518 1.00 0.00 H new ATOM 0 HE1 PHE A 591 3.153 -2.140 0.829 1.00 0.00 H new ATOM 0 HE2 PHE A 591 -0.423 -4.320 0.263 1.00 0.00 H new ATOM 0 HZ PHE A 591 1.229 -2.720 -0.554 1.00 0.00 H new ATOM 914 N ASN A 592 0.485 -4.938 7.447 1.00 0.00 N ATOM 915 CA ASN A 592 0.430 -5.656 8.709 1.00 0.00 C ATOM 916 C ASN A 592 -0.962 -6.266 8.883 1.00 0.00 C ATOM 917 O ASN A 592 -1.961 -5.667 8.487 1.00 0.00 O ATOM 918 CB ASN A 592 0.684 -4.715 9.889 1.00 0.00 C ATOM 919 CG ASN A 592 -0.407 -3.648 9.984 1.00 0.00 C ATOM 920 OD1 ASN A 592 -1.425 -3.820 10.636 1.00 0.00 O ATOM 921 ND2 ASN A 592 -0.141 -2.538 9.301 1.00 0.00 N ATOM 0 H ASN A 592 -0.408 -4.556 7.135 1.00 0.00 H new ATOM 0 HA ASN A 592 1.198 -6.429 8.691 1.00 0.00 H new ATOM 0 HB2 ASN A 592 0.718 -5.289 10.815 1.00 0.00 H new ATOM 0 HB3 ASN A 592 1.657 -4.236 9.774 1.00 0.00 H new ATOM 0 HD21 ASN A 592 -0.808 -1.766 9.302 1.00 0.00 H new ATOM 0 HD22 ASN A 592 0.730 -2.459 8.776 1.00 0.00 H new ATOM 928 N ASP A 593 -0.984 -7.451 9.475 1.00 0.00 N ATOM 929 CA ASP A 593 -2.237 -8.149 9.707 1.00 0.00 C ATOM 930 C ASP A 593 -3.005 -7.452 10.831 1.00 0.00 C ATOM 931 O ASP A 593 -4.203 -7.672 10.999 1.00 0.00 O ATOM 932 CB ASP A 593 -1.990 -9.598 10.131 1.00 0.00 C ATOM 933 CG ASP A 593 -3.130 -10.245 10.920 1.00 0.00 C ATOM 934 OD1 ASP A 593 -4.203 -10.535 10.370 1.00 0.00 O ATOM 935 OD2 ASP A 593 -2.881 -10.452 12.168 1.00 0.00 O ATOM 0 H ASP A 593 -0.154 -7.946 9.801 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.806 -8.137 8.777 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -1.802 -10.195 9.238 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -1.084 -9.634 10.736 1.00 0.00 H new ATOM 941 N GLY A 594 -2.283 -6.624 11.572 1.00 0.00 N ATOM 942 CA GLY A 594 -2.881 -5.893 12.676 1.00 0.00 C ATOM 943 C GLY A 594 -2.692 -6.642 13.997 1.00 0.00 C ATOM 944 O GLY A 594 -3.487 -6.486 14.922 1.00 0.00 O ATOM 0 H GLY A 594 -1.289 -6.443 11.429 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -2.430 -4.903 12.748 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -3.944 -5.746 12.486 1.00 0.00 H new ATOM 948 N ASN A 595 -1.635 -7.439 14.042 1.00 0.00 N ATOM 949 CA ASN A 595 -1.332 -8.213 15.234 1.00 0.00 C ATOM 950 C ASN A 595 0.169 -8.508 15.276 1.00 0.00 C ATOM 951 O ASN A 595 0.596 -9.616 14.955 1.00 0.00 O ATOM 952 CB ASN A 595 -2.077 -9.549 15.228 1.00 0.00 C ATOM 953 CG ASN A 595 -3.163 -9.576 16.305 1.00 0.00 C ATOM 954 OD1 ASN A 595 -4.297 -9.181 16.090 1.00 0.00 O ATOM 955 ND2 ASN A 595 -2.754 -10.064 17.473 1.00 0.00 N ATOM 0 H ASN A 595 -0.978 -7.566 13.272 1.00 0.00 H new ATOM 0 HA ASN A 595 -1.643 -7.632 16.102 1.00 0.00 H new ATOM 0 HB2 ASN A 595 -2.527 -9.714 14.249 1.00 0.00 H new ATOM 0 HB3 ASN A 595 -1.372 -10.363 15.397 1.00 0.00 H new ATOM 0 HD21 ASN A 595 -3.405 -10.125 18.256 1.00 0.00 H new ATOM 0 HD22 ASN A 595 -1.790 -10.378 17.585 1.00 0.00 H new ATOM 962 N ASN A 596 0.928 -7.498 15.676 1.00 0.00 N ATOM 963 CA ASN A 596 2.371 -7.636 15.765 1.00 0.00 C ATOM 964 C ASN A 596 2.882 -8.403 14.543 1.00 0.00 C ATOM 965 O ASN A 596 3.905 -9.082 14.616 1.00 0.00 O ATOM 966 CB ASN A 596 2.774 -8.418 17.017 1.00 0.00 C ATOM 967 CG ASN A 596 2.297 -7.708 18.285 1.00 0.00 C ATOM 968 OD1 ASN A 596 1.887 -6.559 18.266 1.00 0.00 O ATOM 969 ND2 ASN A 596 2.373 -8.453 19.384 1.00 0.00 N ATOM 0 H ASN A 596 0.570 -6.581 15.942 1.00 0.00 H new ATOM 0 HA ASN A 596 2.803 -6.636 15.810 1.00 0.00 H new ATOM 0 HB2 ASN A 596 2.349 -9.421 16.976 1.00 0.00 H new ATOM 0 HB3 ASN A 596 3.858 -8.532 17.046 1.00 0.00 H new ATOM 0 HD21 ASN A 596 2.078 -8.069 20.282 1.00 0.00 H new ATOM 0 HD22 ASN A 596 2.726 -9.408 19.329 1.00 0.00 H new ATOM 976 N ASN A 597 2.146 -8.268 13.450 1.00 0.00 N ATOM 977 CA ASN A 597 2.512 -8.940 12.214 1.00 0.00 C ATOM 978 C ASN A 597 2.677 -7.901 11.104 1.00 0.00 C ATOM 979 O ASN A 597 1.807 -7.759 10.246 1.00 0.00 O ATOM 980 CB ASN A 597 1.426 -9.926 11.781 1.00 0.00 C ATOM 981 CG ASN A 597 1.775 -11.351 12.216 1.00 0.00 C ATOM 982 OD1 ASN A 597 2.902 -11.804 12.102 1.00 0.00 O ATOM 983 ND2 ASN A 597 0.747 -12.030 12.718 1.00 0.00 N ATOM 0 H ASN A 597 1.298 -7.704 13.394 1.00 0.00 H new ATOM 0 HA ASN A 597 3.442 -9.481 12.387 1.00 0.00 H new ATOM 0 HB2 ASN A 597 0.470 -9.633 12.215 1.00 0.00 H new ATOM 0 HB3 ASN A 597 1.309 -9.891 10.698 1.00 0.00 H new ATOM 0 HD21 ASN A 597 0.877 -12.990 13.036 1.00 0.00 H new ATOM 0 HD22 ASN A 597 -0.171 -11.590 12.785 1.00 0.00 H new ATOM 990 N TRP A 598 3.801 -7.200 11.155 1.00 0.00 N ATOM 991 CA TRP A 598 4.091 -6.178 10.163 1.00 0.00 C ATOM 992 C TRP A 598 5.131 -6.742 9.193 1.00 0.00 C ATOM 993 O TRP A 598 5.914 -7.619 9.557 1.00 0.00 O ATOM 994 CB TRP A 598 4.542 -4.878 10.832 1.00 0.00 C ATOM 995 CG TRP A 598 3.445 -4.181 11.640 1.00 0.00 C ATOM 996 CD1 TRP A 598 2.822 -4.625 12.740 1.00 0.00 C ATOM 997 CD2 TRP A 598 2.862 -2.890 11.363 1.00 0.00 C ATOM 998 NE1 TRP A 598 1.885 -3.718 13.192 1.00 0.00 N ATOM 999 CE2 TRP A 598 1.910 -2.630 12.328 1.00 0.00 C ATOM 1000 CE3 TRP A 598 3.130 -1.972 10.332 1.00 0.00 C ATOM 1001 CZ2 TRP A 598 1.150 -1.454 12.357 1.00 0.00 C ATOM 1002 CZ3 TRP A 598 2.362 -0.803 10.376 1.00 0.00 C ATOM 1003 CH2 TRP A 598 1.400 -0.526 11.340 1.00 0.00 C ATOM 0 H TRP A 598 4.521 -7.320 11.867 1.00 0.00 H new ATOM 0 HA TRP A 598 3.193 -5.921 9.601 1.00 0.00 H new ATOM 0 HB2 TRP A 598 5.383 -5.093 11.491 1.00 0.00 H new ATOM 0 HB3 TRP A 598 4.905 -4.194 10.065 1.00 0.00 H new ATOM 0 HD1 TRP A 598 3.027 -5.574 13.214 1.00 0.00 H new ATOM 0 HE1 TRP A 598 1.285 -3.826 14.010 1.00 0.00 H new ATOM 0 HE3 TRP A 598 3.870 -2.155 9.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 598 0.411 -1.273 13.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 598 2.529 -0.064 9.606 1.00 0.00 H new ATOM 0 HH2 TRP A 598 0.848 0.401 11.304 1.00 0.00 H new ATOM 1014 N ASP A 599 5.105 -6.217 7.977 1.00 0.00 N ATOM 1015 CA ASP A 599 6.036 -6.658 6.952 1.00 0.00 C ATOM 1016 C ASP A 599 6.920 -5.482 6.533 1.00 0.00 C ATOM 1017 O ASP A 599 7.740 -5.609 5.624 1.00 0.00 O ATOM 1018 CB ASP A 599 5.293 -7.156 5.711 1.00 0.00 C ATOM 1019 CG ASP A 599 5.071 -8.669 5.654 1.00 0.00 C ATOM 1020 OD1 ASP A 599 5.920 -9.420 5.151 1.00 0.00 O ATOM 1021 OD2 ASP A 599 3.958 -9.077 6.161 1.00 0.00 O ATOM 0 H ASP A 599 4.454 -5.491 7.678 1.00 0.00 H new ATOM 0 HA ASP A 599 6.633 -7.471 7.365 1.00 0.00 H new ATOM 0 HB2 ASP A 599 4.324 -6.660 5.663 1.00 0.00 H new ATOM 0 HB3 ASP A 599 5.851 -6.852 4.825 1.00 0.00 H new ATOM 1101 N ASN A 605 10.343 1.939 5.808 1.00 0.00 N ATOM 1102 CA ASN A 605 9.329 1.443 4.893 1.00 0.00 C ATOM 1103 C ASN A 605 9.815 1.621 3.453 1.00 0.00 C ATOM 1104 O ASN A 605 11.013 1.764 3.212 1.00 0.00 O ATOM 1105 CB ASN A 605 8.019 2.218 5.050 1.00 0.00 C ATOM 1106 CG ASN A 605 7.681 2.431 6.526 1.00 0.00 C ATOM 1107 OD1 ASN A 605 7.467 1.497 7.282 1.00 0.00 O ATOM 1108 ND2 ASN A 605 7.645 3.708 6.895 1.00 0.00 N ATOM 0 HA ASN A 605 9.155 0.391 5.121 1.00 0.00 H new ATOM 0 HB2 ASN A 605 8.101 3.183 4.549 1.00 0.00 H new ATOM 0 HB3 ASN A 605 7.210 1.674 4.563 1.00 0.00 H new ATOM 0 HD21 ASN A 605 7.428 3.954 7.861 1.00 0.00 H new ATOM 0 HD22 ASN A 605 7.834 4.442 6.212 1.00 0.00 H new ATOM 1115 N TYR A 606 8.861 1.607 2.534 1.00 0.00 N ATOM 1116 CA TYR A 606 9.177 1.766 1.125 1.00 0.00 C ATOM 1117 C TYR A 606 8.623 3.086 0.584 1.00 0.00 C ATOM 1118 O TYR A 606 7.749 3.695 1.199 1.00 0.00 O ATOM 1119 CB TYR A 606 8.488 0.605 0.405 1.00 0.00 C ATOM 1120 CG TYR A 606 9.020 -0.775 0.799 1.00 0.00 C ATOM 1121 CD1 TYR A 606 10.252 -1.196 0.340 1.00 0.00 C ATOM 1122 CD2 TYR A 606 8.268 -1.598 1.612 1.00 0.00 C ATOM 1123 CE1 TYR A 606 10.753 -2.494 0.710 1.00 0.00 C ATOM 1124 CE2 TYR A 606 8.769 -2.896 1.982 1.00 0.00 C ATOM 1125 CZ TYR A 606 9.987 -3.280 1.513 1.00 0.00 C ATOM 1126 OH TYR A 606 10.460 -4.507 1.863 1.00 0.00 O ATOM 0 H TYR A 606 7.869 1.488 2.738 1.00 0.00 H new ATOM 0 HA TYR A 606 10.256 1.772 0.972 1.00 0.00 H new ATOM 0 HB2 TYR A 606 7.419 0.644 0.614 1.00 0.00 H new ATOM 0 HB3 TYR A 606 8.607 0.736 -0.671 1.00 0.00 H new ATOM 0 HD1 TYR A 606 10.840 -0.552 -0.297 1.00 0.00 H new ATOM 0 HD2 TYR A 606 7.304 -1.269 1.971 1.00 0.00 H new ATOM 0 HE1 TYR A 606 11.715 -2.836 0.358 1.00 0.00 H new ATOM 0 HE2 TYR A 606 8.191 -3.550 2.618 1.00 0.00 H new ATOM 0 HH TYR A 606 9.808 -4.957 2.440 1.00 0.00 H new ATOM 1136 N LEU A 607 9.155 3.489 -0.560 1.00 0.00 N ATOM 1137 CA LEU A 607 8.725 4.726 -1.191 1.00 0.00 C ATOM 1138 C LEU A 607 8.038 4.404 -2.519 1.00 0.00 C ATOM 1139 O LEU A 607 8.631 3.773 -3.392 1.00 0.00 O ATOM 1140 CB LEU A 607 9.902 5.695 -1.326 1.00 0.00 C ATOM 1141 CG LEU A 607 9.880 6.910 -0.397 1.00 0.00 C ATOM 1142 CD1 LEU A 607 9.710 6.482 1.062 1.00 0.00 C ATOM 1143 CD2 LEU A 607 11.125 7.777 -0.599 1.00 0.00 C ATOM 0 H LEU A 607 9.880 2.981 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 607 7.991 5.237 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 607 10.824 5.142 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 607 9.938 6.050 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 607 9.016 7.522 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 607 9.698 7.365 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 607 8.772 5.939 1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 607 10.540 5.837 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 607 11.085 8.634 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 607 12.017 7.189 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 607 11.161 8.127 -1.631 1.00 0.00 H new ATOM 1155 N PHE A 608 6.796 4.852 -2.629 1.00 0.00 N ATOM 1156 CA PHE A 608 6.020 4.619 -3.836 1.00 0.00 C ATOM 1157 C PHE A 608 5.441 5.928 -4.377 1.00 0.00 C ATOM 1158 O PHE A 608 5.141 6.842 -3.610 1.00 0.00 O ATOM 1159 CB PHE A 608 4.870 3.685 -3.456 1.00 0.00 C ATOM 1160 CG PHE A 608 5.309 2.440 -2.682 1.00 0.00 C ATOM 1161 CD1 PHE A 608 6.363 1.702 -3.123 1.00 0.00 C ATOM 1162 CD2 PHE A 608 4.645 2.071 -1.555 1.00 0.00 C ATOM 1163 CE1 PHE A 608 6.771 0.547 -2.406 1.00 0.00 C ATOM 1164 CE2 PHE A 608 5.052 0.915 -0.837 1.00 0.00 C ATOM 1165 CZ PHE A 608 6.107 0.177 -1.278 1.00 0.00 C ATOM 0 H PHE A 608 6.308 5.375 -1.902 1.00 0.00 H new ATOM 0 HA PHE A 608 6.656 4.187 -4.609 1.00 0.00 H new ATOM 0 HB2 PHE A 608 4.149 4.239 -2.854 1.00 0.00 H new ATOM 0 HB3 PHE A 608 4.354 3.373 -4.364 1.00 0.00 H new ATOM 0 HD1 PHE A 608 6.890 1.995 -4.019 1.00 0.00 H new ATOM 0 HD2 PHE A 608 3.808 2.657 -1.205 1.00 0.00 H new ATOM 0 HE1 PHE A 608 7.609 -0.038 -2.756 1.00 0.00 H new ATOM 0 HE2 PHE A 608 4.524 0.622 0.059 1.00 0.00 H new ATOM 0 HZ PHE A 608 6.417 -0.702 -0.733 1.00 0.00 H new ATOM 1175 N SER A 609 5.302 5.977 -5.693 1.00 0.00 N ATOM 1176 CA SER A 609 4.765 7.159 -6.345 1.00 0.00 C ATOM 1177 C SER A 609 3.386 6.850 -6.934 1.00 0.00 C ATOM 1178 O SER A 609 2.990 5.689 -7.020 1.00 0.00 O ATOM 1179 CB SER A 609 5.709 7.662 -7.439 1.00 0.00 C ATOM 1180 OG SER A 609 5.535 9.053 -7.696 1.00 0.00 O ATOM 0 H SER A 609 5.552 5.217 -6.326 1.00 0.00 H new ATOM 0 HA SER A 609 4.666 7.947 -5.598 1.00 0.00 H new ATOM 0 HB2 SER A 609 6.741 7.474 -7.142 1.00 0.00 H new ATOM 0 HB3 SER A 609 5.534 7.099 -8.356 1.00 0.00 H new ATOM 0 HG SER A 609 5.933 9.573 -6.967 1.00 0.00 H new ATOM 1186 N THR A 610 2.694 7.911 -7.324 1.00 0.00 N ATOM 1187 CA THR A 610 1.369 7.768 -7.903 1.00 0.00 C ATOM 1188 C THR A 610 1.405 6.798 -9.086 1.00 0.00 C ATOM 1189 O THR A 610 2.476 6.360 -9.501 1.00 0.00 O ATOM 1190 CB THR A 610 0.862 9.163 -8.275 1.00 0.00 C ATOM 1191 OG1 THR A 610 1.883 9.688 -9.119 1.00 0.00 O ATOM 1192 CG2 THR A 610 0.841 10.116 -7.079 1.00 0.00 C ATOM 0 H THR A 610 3.026 8.873 -7.250 1.00 0.00 H new ATOM 0 HA THR A 610 0.670 7.333 -7.188 1.00 0.00 H new ATOM 0 HB THR A 610 -0.141 9.086 -8.695 1.00 0.00 H new ATOM 0 HG1 THR A 610 1.636 10.591 -9.409 1.00 0.00 H new ATOM 0 HG21 THR A 610 0.473 11.091 -7.397 1.00 0.00 H new ATOM 0 HG22 THR A 610 0.185 9.716 -6.306 1.00 0.00 H new ATOM 0 HG23 THR A 610 1.850 10.221 -6.680 1.00 0.00 H new ATOM 1200 N GLY A 611 0.221 6.493 -9.596 1.00 0.00 N ATOM 1201 CA GLY A 611 0.103 5.584 -10.723 1.00 0.00 C ATOM 1202 C GLY A 611 -0.345 4.195 -10.263 1.00 0.00 C ATOM 1203 O GLY A 611 -1.167 4.073 -9.356 1.00 0.00 O ATOM 0 H GLY A 611 -0.665 6.860 -9.249 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -0.613 5.982 -11.442 1.00 0.00 H new ATOM 0 HA3 GLY A 611 1.062 5.509 -11.236 1.00 0.00 H new ATOM 1207 N THR A 612 0.214 3.183 -10.910 1.00 0.00 N ATOM 1208 CA THR A 612 -0.119 1.808 -10.579 1.00 0.00 C ATOM 1209 C THR A 612 1.101 1.090 -9.999 1.00 0.00 C ATOM 1210 O THR A 612 2.193 1.159 -10.562 1.00 0.00 O ATOM 1211 CB THR A 612 -0.676 1.140 -11.838 1.00 0.00 C ATOM 1212 OG1 THR A 612 -1.758 1.982 -12.228 1.00 0.00 O ATOM 1213 CG2 THR A 612 -1.339 -0.206 -11.541 1.00 0.00 C ATOM 0 H THR A 612 0.895 3.288 -11.662 1.00 0.00 H new ATOM 0 HA THR A 612 -0.884 1.761 -9.804 1.00 0.00 H new ATOM 0 HB THR A 612 0.128 0.997 -12.560 1.00 0.00 H new ATOM 0 HG1 THR A 612 -2.176 1.623 -13.039 1.00 0.00 H new ATOM 0 HG21 THR A 612 -1.717 -0.638 -12.468 1.00 0.00 H new ATOM 0 HG22 THR A 612 -0.608 -0.882 -11.098 1.00 0.00 H new ATOM 0 HG23 THR A 612 -2.165 -0.059 -10.845 1.00 0.00 H new ATOM 1221 N SER A 613 0.875 0.416 -8.881 1.00 0.00 N ATOM 1222 CA SER A 613 1.942 -0.315 -8.218 1.00 0.00 C ATOM 1223 C SER A 613 1.396 -1.617 -7.629 1.00 0.00 C ATOM 1224 O SER A 613 0.198 -1.735 -7.378 1.00 0.00 O ATOM 1225 CB SER A 613 2.592 0.533 -7.123 1.00 0.00 C ATOM 1226 OG SER A 613 3.984 0.257 -6.990 1.00 0.00 O ATOM 0 H SER A 613 -0.032 0.361 -8.417 1.00 0.00 H new ATOM 0 HA SER A 613 2.707 -0.552 -8.958 1.00 0.00 H new ATOM 0 HB2 SER A 613 2.452 1.590 -7.352 1.00 0.00 H new ATOM 0 HB3 SER A 613 2.092 0.343 -6.173 1.00 0.00 H new ATOM 0 HG SER A 613 4.363 0.819 -6.282 1.00 0.00 H new ATOM 1232 N THR A 614 2.303 -2.562 -7.425 1.00 0.00 N ATOM 1233 CA THR A 614 1.927 -3.851 -6.869 1.00 0.00 C ATOM 1234 C THR A 614 2.901 -4.258 -5.762 1.00 0.00 C ATOM 1235 O THR A 614 4.116 -4.187 -5.940 1.00 0.00 O ATOM 1236 CB THR A 614 1.859 -4.859 -8.018 1.00 0.00 C ATOM 1237 OG1 THR A 614 1.110 -4.186 -9.027 1.00 0.00 O ATOM 1238 CG2 THR A 614 1.005 -6.082 -7.675 1.00 0.00 C ATOM 0 H THR A 614 3.296 -2.461 -7.635 1.00 0.00 H new ATOM 0 HA THR A 614 0.946 -3.807 -6.396 1.00 0.00 H new ATOM 0 HB THR A 614 2.867 -5.181 -8.277 1.00 0.00 H new ATOM 0 HG1 THR A 614 1.282 -4.605 -9.896 1.00 0.00 H new ATOM 0 HG21 THR A 614 0.990 -6.765 -8.524 1.00 0.00 H new ATOM 0 HG22 THR A 614 1.428 -6.590 -6.808 1.00 0.00 H new ATOM 0 HG23 THR A 614 -0.012 -5.763 -7.448 1.00 0.00 H new ATOM 1246 N TYR A 615 2.331 -4.677 -4.641 1.00 0.00 N ATOM 1247 CA TYR A 615 3.133 -5.095 -3.504 1.00 0.00 C ATOM 1248 C TYR A 615 2.922 -6.580 -3.202 1.00 0.00 C ATOM 1249 O TYR A 615 1.805 -7.006 -2.911 1.00 0.00 O ATOM 1250 CB TYR A 615 2.641 -4.270 -2.314 1.00 0.00 C ATOM 1251 CG TYR A 615 2.989 -4.873 -0.952 1.00 0.00 C ATOM 1252 CD1 TYR A 615 2.175 -5.840 -0.397 1.00 0.00 C ATOM 1253 CD2 TYR A 615 4.116 -4.451 -0.277 1.00 0.00 C ATOM 1254 CE1 TYR A 615 2.502 -6.408 0.885 1.00 0.00 C ATOM 1255 CE2 TYR A 615 4.443 -5.019 1.005 1.00 0.00 C ATOM 1256 CZ TYR A 615 3.620 -5.969 1.523 1.00 0.00 C ATOM 1257 OH TYR A 615 3.929 -6.506 2.733 1.00 0.00 O ATOM 0 H TYR A 615 1.323 -4.736 -4.496 1.00 0.00 H new ATOM 0 HA TYR A 615 4.193 -4.945 -3.706 1.00 0.00 H new ATOM 0 HB2 TYR A 615 3.069 -3.270 -2.377 1.00 0.00 H new ATOM 0 HB3 TYR A 615 1.559 -4.159 -2.385 1.00 0.00 H new ATOM 0 HD1 TYR A 615 1.293 -6.171 -0.925 1.00 0.00 H new ATOM 0 HD2 TYR A 615 4.753 -3.694 -0.710 1.00 0.00 H new ATOM 0 HE1 TYR A 615 1.874 -7.165 1.330 1.00 0.00 H new ATOM 0 HE2 TYR A 615 5.322 -4.698 1.543 1.00 0.00 H new ATOM 0 HH TYR A 615 4.754 -6.098 3.071 1.00 0.00 H new ATOM 1267 N THR A 616 4.013 -7.328 -3.280 1.00 0.00 N ATOM 1268 CA THR A 616 3.962 -8.756 -3.018 1.00 0.00 C ATOM 1269 C THR A 616 4.731 -9.092 -1.739 1.00 0.00 C ATOM 1270 O THR A 616 5.954 -8.968 -1.695 1.00 0.00 O ATOM 1271 CB THR A 616 4.494 -9.483 -4.255 1.00 0.00 C ATOM 1272 OG1 THR A 616 3.509 -9.235 -5.254 1.00 0.00 O ATOM 1273 CG2 THR A 616 4.482 -11.004 -4.090 1.00 0.00 C ATOM 0 H THR A 616 4.938 -6.972 -3.521 1.00 0.00 H new ATOM 0 HA THR A 616 2.939 -9.089 -2.842 1.00 0.00 H new ATOM 0 HB THR A 616 5.510 -9.148 -4.464 1.00 0.00 H new ATOM 0 HG1 THR A 616 3.775 -9.670 -6.091 1.00 0.00 H new ATOM 0 HG21 THR A 616 4.869 -11.471 -4.996 1.00 0.00 H new ATOM 0 HG22 THR A 616 5.107 -11.283 -3.242 1.00 0.00 H new ATOM 0 HG23 THR A 616 3.461 -11.343 -3.915 1.00 0.00 H new ATOM 1281 N PRO A 617 3.962 -9.521 -0.702 1.00 0.00 N ATOM 1282 CA PRO A 617 4.558 -9.875 0.575 1.00 0.00 C ATOM 1283 C PRO A 617 5.265 -11.230 0.493 1.00 0.00 C ATOM 1284 O PRO A 617 4.889 -12.083 -0.310 1.00 0.00 O ATOM 1285 CB PRO A 617 3.404 -9.866 1.564 1.00 0.00 C ATOM 1286 CG PRO A 617 2.138 -9.965 0.728 1.00 0.00 C ATOM 1287 CD PRO A 617 2.511 -9.679 -0.718 1.00 0.00 C ATOM 0 HA PRO A 617 5.335 -9.176 0.885 1.00 0.00 H new ATOM 0 HB2 PRO A 617 3.479 -10.702 2.260 1.00 0.00 H new ATOM 0 HB3 PRO A 617 3.408 -8.954 2.160 1.00 0.00 H new ATOM 0 HG2 PRO A 617 1.697 -10.958 0.819 1.00 0.00 H new ATOM 0 HG3 PRO A 617 1.392 -9.251 1.078 1.00 0.00 H new ATOM 0 HD2 PRO A 617 2.209 -10.495 -1.374 1.00 0.00 H new ATOM 0 HD3 PRO A 617 2.019 -8.778 -1.083 1.00 0.00 H new ATOM 1361 N THR A 625 8.810 -7.500 -2.669 1.00 0.00 N ATOM 1362 CA THR A 625 9.132 -6.451 -3.621 1.00 0.00 C ATOM 1363 C THR A 625 7.851 -5.813 -4.165 1.00 0.00 C ATOM 1364 O THR A 625 6.759 -6.346 -3.974 1.00 0.00 O ATOM 1365 CB THR A 625 10.019 -7.056 -4.711 1.00 0.00 C ATOM 1366 OG1 THR A 625 9.391 -8.297 -5.020 1.00 0.00 O ATOM 1367 CG2 THR A 625 11.399 -7.458 -4.186 1.00 0.00 C ATOM 0 HA THR A 625 9.685 -5.641 -3.145 1.00 0.00 H new ATOM 0 HB THR A 625 10.134 -6.340 -5.525 1.00 0.00 H new ATOM 0 HG1 THR A 625 8.910 -8.625 -4.232 1.00 0.00 H new ATOM 0 HG21 THR A 625 11.988 -7.882 -4.999 1.00 0.00 H new ATOM 0 HG22 THR A 625 11.907 -6.579 -3.789 1.00 0.00 H new ATOM 0 HG23 THR A 625 11.286 -8.200 -3.395 1.00 0.00 H new ATOM 1375 N ILE A 626 8.028 -4.682 -4.832 1.00 0.00 N ATOM 1376 CA ILE A 626 6.901 -3.966 -5.404 1.00 0.00 C ATOM 1377 C ILE A 626 7.092 -3.849 -6.918 1.00 0.00 C ATOM 1378 O ILE A 626 8.118 -3.354 -7.381 1.00 0.00 O ATOM 1379 CB ILE A 626 6.708 -2.621 -4.703 1.00 0.00 C ATOM 1380 CG1 ILE A 626 7.380 -2.618 -3.328 1.00 0.00 C ATOM 1381 CG2 ILE A 626 5.225 -2.254 -4.616 1.00 0.00 C ATOM 1382 CD1 ILE A 626 8.811 -2.084 -3.419 1.00 0.00 C ATOM 0 H ILE A 626 8.936 -4.244 -4.989 1.00 0.00 H new ATOM 0 HA ILE A 626 5.976 -4.519 -5.240 1.00 0.00 H new ATOM 0 HB ILE A 626 7.195 -1.852 -5.302 1.00 0.00 H new ATOM 0 HG12 ILE A 626 6.802 -2.004 -2.638 1.00 0.00 H new ATOM 0 HG13 ILE A 626 7.390 -3.630 -2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 626 5.117 -1.293 -4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 626 4.807 -2.187 -5.621 1.00 0.00 H new ATOM 0 HG23 ILE A 626 4.693 -3.020 -4.052 1.00 0.00 H new ATOM 0 HD11 ILE A 626 9.266 -2.092 -2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 626 9.393 -2.715 -4.091 1.00 0.00 H new ATOM 0 HD13 ILE A 626 8.795 -1.064 -3.802 1.00 0.00 H new ATOM 1394 N ARG A 627 6.088 -4.314 -7.647 1.00 0.00 N ATOM 1395 CA ARG A 627 6.133 -4.267 -9.098 1.00 0.00 C ATOM 1396 C ARG A 627 5.171 -3.200 -9.625 1.00 0.00 C ATOM 1397 O ARG A 627 3.974 -3.247 -9.347 1.00 0.00 O ATOM 1398 CB ARG A 627 5.762 -5.622 -9.704 1.00 0.00 C ATOM 1399 CG ARG A 627 7.009 -6.476 -9.941 1.00 0.00 C ATOM 1400 CD ARG A 627 7.596 -6.217 -11.330 1.00 0.00 C ATOM 1401 NE ARG A 627 9.074 -6.247 -11.269 1.00 0.00 N ATOM 1402 CZ ARG A 627 9.798 -7.350 -10.981 1.00 0.00 C ATOM 1403 NH1 ARG A 627 9.184 -8.525 -10.725 1.00 0.00 N ATOM 1404 NH2 ARG A 627 11.115 -7.262 -10.953 1.00 0.00 N ATOM 0 H ARG A 627 5.239 -4.725 -7.260 1.00 0.00 H new ATOM 0 HA ARG A 627 7.153 -4.017 -9.390 1.00 0.00 H new ATOM 0 HB2 ARG A 627 5.078 -6.148 -9.037 1.00 0.00 H new ATOM 0 HB3 ARG A 627 5.236 -5.471 -10.646 1.00 0.00 H new ATOM 0 HG2 ARG A 627 7.756 -6.254 -9.179 1.00 0.00 H new ATOM 0 HG3 ARG A 627 6.756 -7.531 -9.840 1.00 0.00 H new ATOM 0 HD2 ARG A 627 7.238 -6.970 -12.031 1.00 0.00 H new ATOM 0 HD3 ARG A 627 7.259 -5.249 -11.702 1.00 0.00 H new ATOM 0 HE ARG A 627 9.578 -5.380 -11.456 1.00 0.00 H new ATOM 0 HH11 ARG A 627 8.166 -8.584 -10.748 1.00 0.00 H new ATOM 0 HH12 ARG A 627 9.738 -9.353 -10.508 1.00 0.00 H new ATOM 0 HH21 ARG A 627 11.571 -6.370 -11.147 1.00 0.00 H new ATOM 0 HH22 ARG A 627 11.677 -8.086 -10.737 1.00 0.00 H new ATOM 1417 N THR A 628 5.732 -2.263 -10.376 1.00 0.00 N ATOM 1418 CA THR A 628 4.939 -1.186 -10.944 1.00 0.00 C ATOM 1419 C THR A 628 4.134 -1.692 -12.144 1.00 0.00 C ATOM 1420 O THR A 628 4.554 -2.623 -12.829 1.00 0.00 O ATOM 1421 CB THR A 628 5.884 -0.034 -11.289 1.00 0.00 C ATOM 1422 OG1 THR A 628 7.121 -0.409 -10.689 1.00 0.00 O ATOM 1423 CG2 THR A 628 5.505 1.267 -10.579 1.00 0.00 C ATOM 0 H THR A 628 6.726 -2.228 -10.604 1.00 0.00 H new ATOM 0 HA THR A 628 4.202 -0.818 -10.230 1.00 0.00 H new ATOM 0 HB THR A 628 5.882 0.127 -12.367 1.00 0.00 H new ATOM 0 HG1 THR A 628 7.793 0.282 -10.865 1.00 0.00 H new ATOM 0 HG21 THR A 628 6.208 2.052 -10.859 1.00 0.00 H new ATOM 0 HG22 THR A 628 4.497 1.561 -10.872 1.00 0.00 H new ATOM 0 HG23 THR A 628 5.540 1.116 -9.500 1.00 0.00 H new ATOM 1431 N GLY A 629 2.993 -1.055 -12.360 1.00 0.00 N ATOM 1432 CA GLY A 629 2.126 -1.429 -13.465 1.00 0.00 C ATOM 1433 C GLY A 629 0.932 -2.248 -12.972 1.00 0.00 C ATOM 1434 O GLY A 629 1.071 -3.076 -12.073 1.00 0.00 O ATOM 0 H GLY A 629 2.649 -0.283 -11.789 1.00 0.00 H new ATOM 0 HA2 GLY A 629 1.771 -0.532 -13.973 1.00 0.00 H new ATOM 0 HA3 GLY A 629 2.691 -2.007 -14.196 1.00 0.00 H new ATOM 1438 N ALA A 630 -0.216 -1.989 -13.582 1.00 0.00 N ATOM 1439 CA ALA A 630 -1.433 -2.692 -13.216 1.00 0.00 C ATOM 1440 C ALA A 630 -1.233 -4.194 -13.429 1.00 0.00 C ATOM 1441 O ALA A 630 -0.989 -4.639 -14.550 1.00 0.00 O ATOM 1442 CB ALA A 630 -2.606 -2.139 -14.029 1.00 0.00 C ATOM 0 H ALA A 630 -0.328 -1.302 -14.327 1.00 0.00 H new ATOM 0 HA ALA A 630 -1.664 -2.536 -12.162 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -3.520 -2.666 -13.755 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -2.724 -1.076 -13.820 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -2.411 -2.281 -15.092 1.00 0.00 H new ATOM 1448 N PRO A 631 -1.347 -4.954 -12.307 1.00 0.00 N ATOM 1449 CA PRO A 631 -1.181 -6.396 -12.360 1.00 0.00 C ATOM 1450 C PRO A 631 -2.409 -7.067 -12.979 1.00 0.00 C ATOM 1451 O PRO A 631 -3.513 -6.529 -12.915 1.00 0.00 O ATOM 1452 CB PRO A 631 -0.938 -6.817 -10.920 1.00 0.00 C ATOM 1453 CG PRO A 631 -1.436 -5.667 -10.059 1.00 0.00 C ATOM 1454 CD PRO A 631 -1.634 -4.461 -10.963 1.00 0.00 C ATOM 0 HA PRO A 631 -0.350 -6.700 -12.996 1.00 0.00 H new ATOM 0 HB2 PRO A 631 -1.472 -7.739 -10.687 1.00 0.00 H new ATOM 0 HB3 PRO A 631 0.120 -7.008 -10.742 1.00 0.00 H new ATOM 0 HG2 PRO A 631 -2.372 -5.935 -9.569 1.00 0.00 H new ATOM 0 HG3 PRO A 631 -0.717 -5.440 -9.272 1.00 0.00 H new ATOM 0 HD2 PRO A 631 -2.651 -4.075 -10.892 1.00 0.00 H new ATOM 0 HD3 PRO A 631 -0.964 -3.646 -10.689 1.00 0.00 H new ATOM 1462 N SER A 632 -2.175 -8.231 -13.566 1.00 0.00 N ATOM 1463 CA SER A 632 -3.248 -8.981 -14.196 1.00 0.00 C ATOM 1464 C SER A 632 -3.072 -10.476 -13.925 1.00 0.00 C ATOM 1465 O SER A 632 -2.758 -11.243 -14.834 1.00 0.00 O ATOM 1466 CB SER A 632 -3.294 -8.716 -15.703 1.00 0.00 C ATOM 1467 OG SER A 632 -4.348 -7.826 -16.057 1.00 0.00 O ATOM 0 H SER A 632 -1.258 -8.674 -13.619 1.00 0.00 H new ATOM 0 HA SER A 632 -4.194 -8.650 -13.767 1.00 0.00 H new ATOM 0 HB2 SER A 632 -2.341 -8.296 -16.026 1.00 0.00 H new ATOM 0 HB3 SER A 632 -3.423 -9.660 -16.233 1.00 0.00 H new ATOM 0 HG SER A 632 -4.342 -7.681 -17.026 1.00 0.00 H new