USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 714 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 609 SER OG : rot 81:sc= 0.262 USER MOD Set 1.2: A 610 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 537 THR OG1 : rot 180:sc= -1.22 USER MOD Set 2.2: A 578 THR OG1 : rot 180:sc= -0.0196 USER MOD Set 3.1: A 542 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 546 SER OG : rot 180:sc= -0.693 USER MOD Single : A 532 THR OG1 : rot 180:sc= 0 USER MOD Single : A 533 THR OG1 : rot 121:sc= 0.309 USER MOD Single : A 534 ASN : amide:sc= -0.381 K(o=-0.38,f=-2.1!) USER MOD Single : A 535 LYS NZ :NH3+ 159:sc=-0.00533 (180deg=-0.149) USER MOD Single : A 539 TYR OH : rot 150:sc= -0.356 USER MOD Single : A 540 TYR OH : rot 180:sc= -0.0157 USER MOD Single : A 541 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 ASN : amide:sc= -0.0847 X(o=-0.085,f=-0.085) USER MOD Single : A 548 TYR OH : rot 180:sc= 0 USER MOD Single : A 550 HIS : no HE2:sc= -6.59! X(o=-6.6!,f=-6.8) USER MOD Single : A 551 TYR OH : rot 169:sc= -4.86! USER MOD Single : A 557 SER OG : rot 180:sc= 0.251 USER MOD Single : A 559 THR OG1 : rot 180:sc= 0 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 566 MET CE :methyl 143:sc= -6.23! (180deg=-6.93!) USER MOD Single : A 567 GLN : amide:sc= -0.055 X(o=-0.055,f=-0.26) USER MOD Single : A 572 SER OG : rot 75:sc= 0.00523 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 73:sc= 0.947 USER MOD Single : A 585 SER OG : rot 180:sc= 0 USER MOD Single : A 586 GLN : amide:sc= -0.739 X(o=-0.74,f=-0.29) USER MOD Single : A 592 ASN :FLIP amide:sc= -0.382 F(o=-3.3,f=-0.38) USER MOD Single : A 595 ASN : amide:sc= -0.223 K(o=-0.22,f=-1.9!) USER MOD Single : A 596 ASN : amide:sc= -0.184 K(o=-0.18,f=-0.88) USER MOD Single : A 597 ASN : amide:sc= -0.0814 K(o=-0.081,f=-1.8!) USER MOD Single : A 600 SER OG : rot 134:sc= 0.377! USER MOD Single : A 601 ASN : amide:sc= -0.358 K(o=-0.36,f=-2.9!) USER MOD Single : A 602 ASN : amide:sc= -0.173 K(o=-0.17,f=-2!) USER MOD Single : A 603 THR OG1 : rot 180:sc= -0.837 USER MOD Single : A 604 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 605 ASN : amide:sc= -1.88 X(o=-1.9,f=-2!) USER MOD Single : A 606 TYR OH : rot -97:sc= 0.371 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 180:sc= -0.0769 USER MOD Single : A 615 TYR OH : rot -170:sc= 0.376 USER MOD Single : A 616 THR OG1 : rot 180:sc= 0 USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 620 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 628 THR OG1 : rot 180:sc= 0.161 USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 530 -11.284 20.718 -8.582 1.00 0.00 N ATOM 2 CA GLY A 530 -10.917 19.626 -7.696 1.00 0.00 C ATOM 3 C GLY A 530 -10.597 18.359 -8.492 1.00 0.00 C ATOM 4 O GLY A 530 -11.227 17.321 -8.293 1.00 0.00 O ATOM 0 HA2 GLY A 530 -10.052 19.913 -7.098 1.00 0.00 H new ATOM 0 HA3 GLY A 530 -11.733 19.427 -7.001 1.00 0.00 H new ATOM 8 N GLY A 531 -9.618 18.485 -9.376 1.00 0.00 N ATOM 9 CA GLY A 531 -9.208 17.362 -10.203 1.00 0.00 C ATOM 10 C GLY A 531 -7.727 17.469 -10.576 1.00 0.00 C ATOM 11 O GLY A 531 -7.361 17.289 -11.736 1.00 0.00 O ATOM 0 H GLY A 531 -9.097 19.347 -9.538 1.00 0.00 H new ATOM 0 HA2 GLY A 531 -9.386 16.428 -9.669 1.00 0.00 H new ATOM 0 HA3 GLY A 531 -9.814 17.332 -11.109 1.00 0.00 H new ATOM 15 N THR A 532 -6.916 17.761 -9.569 1.00 0.00 N ATOM 16 CA THR A 532 -5.484 17.893 -9.777 1.00 0.00 C ATOM 17 C THR A 532 -4.723 16.904 -8.892 1.00 0.00 C ATOM 18 O THR A 532 -3.765 16.275 -9.339 1.00 0.00 O ATOM 19 CB THR A 532 -5.103 19.353 -9.523 1.00 0.00 C ATOM 20 OG1 THR A 532 -5.701 20.061 -10.605 1.00 0.00 O ATOM 21 CG2 THR A 532 -3.604 19.605 -9.695 1.00 0.00 C ATOM 0 H THR A 532 -7.223 17.910 -8.608 1.00 0.00 H new ATOM 0 HA THR A 532 -5.208 17.643 -10.801 1.00 0.00 H new ATOM 0 HB THR A 532 -5.405 19.637 -8.515 1.00 0.00 H new ATOM 0 HG1 THR A 532 -5.505 21.017 -10.518 1.00 0.00 H new ATOM 0 HG21 THR A 532 -3.387 20.656 -9.504 1.00 0.00 H new ATOM 0 HG22 THR A 532 -3.048 18.986 -8.991 1.00 0.00 H new ATOM 0 HG23 THR A 532 -3.307 19.353 -10.713 1.00 0.00 H new ATOM 29 N THR A 533 -5.179 16.796 -7.652 1.00 0.00 N ATOM 30 CA THR A 533 -4.553 15.894 -6.701 1.00 0.00 C ATOM 31 C THR A 533 -4.189 14.572 -7.380 1.00 0.00 C ATOM 32 O THR A 533 -4.825 14.175 -8.355 1.00 0.00 O ATOM 33 CB THR A 533 -5.503 15.726 -5.513 1.00 0.00 C ATOM 34 OG1 THR A 533 -6.678 15.158 -6.086 1.00 0.00 O ATOM 35 CG2 THR A 533 -5.975 17.066 -4.947 1.00 0.00 C ATOM 0 H THR A 533 -5.974 17.318 -7.285 1.00 0.00 H new ATOM 0 HA THR A 533 -3.613 16.301 -6.329 1.00 0.00 H new ATOM 0 HB THR A 533 -5.006 15.156 -4.728 1.00 0.00 H new ATOM 0 HG1 THR A 533 -6.863 14.294 -5.663 1.00 0.00 H new ATOM 0 HG21 THR A 533 -6.646 16.890 -4.107 1.00 0.00 H new ATOM 0 HG22 THR A 533 -5.114 17.642 -4.609 1.00 0.00 H new ATOM 0 HG23 THR A 533 -6.502 17.623 -5.722 1.00 0.00 H new ATOM 43 N ASN A 534 -3.167 13.927 -6.837 1.00 0.00 N ATOM 44 CA ASN A 534 -2.710 12.658 -7.378 1.00 0.00 C ATOM 45 C ASN A 534 -3.082 11.533 -6.410 1.00 0.00 C ATOM 46 O ASN A 534 -3.507 11.792 -5.285 1.00 0.00 O ATOM 47 CB ASN A 534 -1.191 12.648 -7.553 1.00 0.00 C ATOM 48 CG ASN A 534 -0.808 12.726 -9.032 1.00 0.00 C ATOM 49 OD1 ASN A 534 -1.572 12.375 -9.917 1.00 0.00 O ATOM 50 ND2 ASN A 534 0.413 13.205 -9.251 1.00 0.00 N ATOM 0 H ASN A 534 -2.642 14.259 -6.028 1.00 0.00 H new ATOM 0 HA ASN A 534 -3.185 12.515 -8.349 1.00 0.00 H new ATOM 0 HB2 ASN A 534 -0.754 13.490 -7.016 1.00 0.00 H new ATOM 0 HB3 ASN A 534 -0.777 11.740 -7.114 1.00 0.00 H new ATOM 0 HD21 ASN A 534 0.761 13.297 -10.205 1.00 0.00 H new ATOM 0 HD22 ASN A 534 1.001 13.481 -8.465 1.00 0.00 H new ATOM 57 N LYS A 535 -2.909 10.307 -6.883 1.00 0.00 N ATOM 58 CA LYS A 535 -3.221 9.141 -6.074 1.00 0.00 C ATOM 59 C LYS A 535 -2.252 8.010 -6.422 1.00 0.00 C ATOM 60 O LYS A 535 -1.774 7.923 -7.552 1.00 0.00 O ATOM 61 CB LYS A 535 -4.694 8.760 -6.229 1.00 0.00 C ATOM 62 CG LYS A 535 -5.601 9.972 -6.011 1.00 0.00 C ATOM 63 CD LYS A 535 -7.071 9.553 -5.940 1.00 0.00 C ATOM 64 CE LYS A 535 -7.935 10.427 -6.852 1.00 0.00 C ATOM 65 NZ LYS A 535 -7.624 10.159 -8.274 1.00 0.00 N ATOM 0 H LYS A 535 -2.557 10.096 -7.817 1.00 0.00 H new ATOM 0 HA LYS A 535 -3.084 9.363 -5.016 1.00 0.00 H new ATOM 0 HB2 LYS A 535 -4.864 8.349 -7.224 1.00 0.00 H new ATOM 0 HB3 LYS A 535 -4.948 7.978 -5.513 1.00 0.00 H new ATOM 0 HG2 LYS A 535 -5.319 10.480 -5.089 1.00 0.00 H new ATOM 0 HG3 LYS A 535 -5.462 10.685 -6.823 1.00 0.00 H new ATOM 0 HD2 LYS A 535 -7.169 8.508 -6.232 1.00 0.00 H new ATOM 0 HD3 LYS A 535 -7.426 9.631 -4.912 1.00 0.00 H new ATOM 0 HE2 LYS A 535 -8.990 10.230 -6.661 1.00 0.00 H new ATOM 0 HE3 LYS A 535 -7.761 11.479 -6.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 -8.421 10.466 -8.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 -6.768 10.682 -8.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 -7.464 9.140 -8.408 1.00 0.00 H new ATOM 78 N VAL A 536 -1.992 7.170 -5.431 1.00 0.00 N ATOM 79 CA VAL A 536 -1.089 6.047 -5.619 1.00 0.00 C ATOM 80 C VAL A 536 -1.869 4.740 -5.466 1.00 0.00 C ATOM 81 O VAL A 536 -2.471 4.491 -4.423 1.00 0.00 O ATOM 82 CB VAL A 536 0.091 6.157 -4.650 1.00 0.00 C ATOM 83 CG1 VAL A 536 1.387 5.680 -5.309 1.00 0.00 C ATOM 84 CG2 VAL A 536 0.237 7.586 -4.124 1.00 0.00 C ATOM 0 H VAL A 536 -2.391 7.244 -4.495 1.00 0.00 H new ATOM 0 HA VAL A 536 -0.669 6.058 -6.625 1.00 0.00 H new ATOM 0 HB VAL A 536 -0.112 5.506 -3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 536 2.210 5.768 -4.600 1.00 0.00 H new ATOM 0 HG12 VAL A 536 1.279 4.638 -5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 536 1.596 6.293 -6.186 1.00 0.00 H new ATOM 0 HG21 VAL A 536 1.082 7.637 -3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 536 0.406 8.266 -4.959 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -0.674 7.876 -3.600 1.00 0.00 H new ATOM 94 N THR A 537 -1.833 3.940 -6.521 1.00 0.00 N ATOM 95 CA THR A 537 -2.529 2.664 -6.517 1.00 0.00 C ATOM 96 C THR A 537 -1.532 1.513 -6.371 1.00 0.00 C ATOM 97 O THR A 537 -0.620 1.370 -7.184 1.00 0.00 O ATOM 98 CB THR A 537 -3.371 2.581 -7.792 1.00 0.00 C ATOM 99 OG1 THR A 537 -4.442 3.491 -7.561 1.00 0.00 O ATOM 100 CG2 THR A 537 -4.061 1.225 -7.951 1.00 0.00 C ATOM 0 H THR A 537 -1.333 4.150 -7.385 1.00 0.00 H new ATOM 0 HA THR A 537 -3.199 2.582 -5.662 1.00 0.00 H new ATOM 0 HB THR A 537 -2.737 2.769 -8.658 1.00 0.00 H new ATOM 0 HG1 THR A 537 -5.036 3.501 -8.340 1.00 0.00 H new ATOM 0 HG21 THR A 537 -4.645 1.220 -8.871 1.00 0.00 H new ATOM 0 HG22 THR A 537 -3.309 0.437 -7.994 1.00 0.00 H new ATOM 0 HG23 THR A 537 -4.721 1.051 -7.101 1.00 0.00 H new ATOM 108 N VAL A 538 -1.739 0.722 -5.329 1.00 0.00 N ATOM 109 CA VAL A 538 -0.870 -0.413 -5.066 1.00 0.00 C ATOM 110 C VAL A 538 -1.709 -1.690 -5.008 1.00 0.00 C ATOM 111 O VAL A 538 -2.723 -1.740 -4.313 1.00 0.00 O ATOM 112 CB VAL A 538 -0.063 -0.168 -3.789 1.00 0.00 C ATOM 113 CG1 VAL A 538 1.184 -1.054 -3.751 1.00 0.00 C ATOM 114 CG2 VAL A 538 0.309 1.309 -3.650 1.00 0.00 C ATOM 0 H VAL A 538 -2.496 0.844 -4.656 1.00 0.00 H new ATOM 0 HA VAL A 538 -0.147 -0.536 -5.873 1.00 0.00 H new ATOM 0 HB VAL A 538 -0.691 -0.436 -2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 538 1.740 -0.861 -2.834 1.00 0.00 H new ATOM 0 HG12 VAL A 538 0.887 -2.102 -3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 538 1.815 -0.831 -4.611 1.00 0.00 H new ATOM 0 HG21 VAL A 538 0.882 1.455 -2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 538 0.910 1.615 -4.507 1.00 0.00 H new ATOM 0 HG23 VAL A 538 -0.599 1.911 -3.610 1.00 0.00 H new ATOM 124 N TYR A 539 -1.256 -2.692 -5.746 1.00 0.00 N ATOM 125 CA TYR A 539 -1.953 -3.967 -5.787 1.00 0.00 C ATOM 126 C TYR A 539 -1.186 -5.036 -5.006 1.00 0.00 C ATOM 127 O TYR A 539 -0.041 -5.346 -5.331 1.00 0.00 O ATOM 128 CB TYR A 539 -2.007 -4.371 -7.262 1.00 0.00 C ATOM 129 CG TYR A 539 -3.355 -4.101 -7.932 1.00 0.00 C ATOM 130 CD1 TYR A 539 -3.742 -2.805 -8.207 1.00 0.00 C ATOM 131 CD2 TYR A 539 -4.185 -5.153 -8.262 1.00 0.00 C ATOM 132 CE1 TYR A 539 -5.012 -2.551 -8.838 1.00 0.00 C ATOM 133 CE2 TYR A 539 -5.455 -4.899 -8.892 1.00 0.00 C ATOM 134 CZ TYR A 539 -5.805 -3.611 -9.149 1.00 0.00 C ATOM 135 OH TYR A 539 -7.004 -3.371 -9.745 1.00 0.00 O ATOM 0 H TYR A 539 -0.415 -2.647 -6.321 1.00 0.00 H new ATOM 0 HA TYR A 539 -2.944 -3.877 -5.341 1.00 0.00 H new ATOM 0 HB2 TYR A 539 -1.229 -3.833 -7.804 1.00 0.00 H new ATOM 0 HB3 TYR A 539 -1.778 -5.433 -7.346 1.00 0.00 H new ATOM 0 HD1 TYR A 539 -3.093 -1.981 -7.949 1.00 0.00 H new ATOM 0 HD2 TYR A 539 -3.882 -6.167 -8.048 1.00 0.00 H new ATOM 0 HE1 TYR A 539 -5.327 -1.542 -9.059 1.00 0.00 H new ATOM 0 HE2 TYR A 539 -6.114 -5.713 -9.154 1.00 0.00 H new ATOM 0 HH TYR A 539 -7.240 -4.127 -10.322 1.00 0.00 H new ATOM 145 N TYR A 540 -1.849 -5.570 -3.990 1.00 0.00 N ATOM 146 CA TYR A 540 -1.244 -6.598 -3.160 1.00 0.00 C ATOM 147 C TYR A 540 -1.902 -7.958 -3.405 1.00 0.00 C ATOM 148 O TYR A 540 -3.121 -8.046 -3.541 1.00 0.00 O ATOM 149 CB TYR A 540 -1.500 -6.175 -1.712 1.00 0.00 C ATOM 150 CG TYR A 540 -1.099 -7.227 -0.676 1.00 0.00 C ATOM 151 CD1 TYR A 540 -1.998 -8.206 -0.304 1.00 0.00 C ATOM 152 CD2 TYR A 540 0.161 -7.197 -0.114 1.00 0.00 C ATOM 153 CE1 TYR A 540 -1.620 -9.197 0.671 1.00 0.00 C ATOM 154 CE2 TYR A 540 0.538 -8.187 0.861 1.00 0.00 C ATOM 155 CZ TYR A 540 -0.371 -9.138 1.205 1.00 0.00 C ATOM 156 OH TYR A 540 -0.015 -10.073 2.126 1.00 0.00 O ATOM 0 H TYR A 540 -2.799 -5.310 -3.723 1.00 0.00 H new ATOM 0 HA TYR A 540 -0.182 -6.698 -3.385 1.00 0.00 H new ATOM 0 HB2 TYR A 540 -0.952 -5.255 -1.511 1.00 0.00 H new ATOM 0 HB3 TYR A 540 -2.559 -5.948 -1.593 1.00 0.00 H new ATOM 0 HD1 TYR A 540 -2.984 -8.229 -0.744 1.00 0.00 H new ATOM 0 HD2 TYR A 540 0.864 -6.431 -0.406 1.00 0.00 H new ATOM 0 HE1 TYR A 540 -2.313 -9.969 0.971 1.00 0.00 H new ATOM 0 HE2 TYR A 540 1.521 -8.175 1.309 1.00 0.00 H new ATOM 0 HH TYR A 540 0.905 -9.909 2.420 1.00 0.00 H new ATOM 166 N LYS A 541 -1.064 -8.983 -3.455 1.00 0.00 N ATOM 167 CA LYS A 541 -1.549 -10.334 -3.681 1.00 0.00 C ATOM 168 C LYS A 541 -1.814 -11.009 -2.334 1.00 0.00 C ATOM 169 O LYS A 541 -0.901 -11.171 -1.526 1.00 0.00 O ATOM 170 CB LYS A 541 -0.579 -11.108 -4.576 1.00 0.00 C ATOM 171 CG LYS A 541 -1.175 -12.453 -4.997 1.00 0.00 C ATOM 172 CD LYS A 541 -0.084 -13.514 -5.147 1.00 0.00 C ATOM 173 CE LYS A 541 -0.083 -14.105 -6.558 1.00 0.00 C ATOM 174 NZ LYS A 541 0.806 -15.287 -6.625 1.00 0.00 N ATOM 0 H LYS A 541 -0.053 -8.905 -3.343 1.00 0.00 H new ATOM 0 HA LYS A 541 -2.497 -10.313 -4.219 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -0.345 -10.517 -5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 541 0.359 -11.272 -4.045 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -1.905 -12.779 -4.256 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -1.708 -12.339 -5.941 1.00 0.00 H new ATOM 0 HD2 LYS A 541 0.889 -13.072 -4.933 1.00 0.00 H new ATOM 0 HD3 LYS A 541 -0.241 -14.308 -4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 541 -1.097 -14.389 -6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 541 0.248 -13.352 -7.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 0.795 -15.676 -7.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 1.776 -15.006 -6.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 0.473 -16.011 -5.956 1.00 0.00 H new ATOM 187 N LYS A 542 -3.069 -11.384 -2.133 1.00 0.00 N ATOM 188 CA LYS A 542 -3.466 -12.037 -0.897 1.00 0.00 C ATOM 189 C LYS A 542 -3.133 -13.528 -0.984 1.00 0.00 C ATOM 190 O LYS A 542 -3.355 -14.158 -2.017 1.00 0.00 O ATOM 191 CB LYS A 542 -4.938 -11.752 -0.590 1.00 0.00 C ATOM 192 CG LYS A 542 -5.315 -12.261 0.803 1.00 0.00 C ATOM 193 CD LYS A 542 -6.834 -12.348 0.962 1.00 0.00 C ATOM 194 CE LYS A 542 -7.529 -11.197 0.232 1.00 0.00 C ATOM 195 NZ LYS A 542 -8.948 -11.106 0.640 1.00 0.00 N ATOM 0 H LYS A 542 -3.824 -11.248 -2.805 1.00 0.00 H new ATOM 0 HA LYS A 542 -2.905 -11.633 -0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 542 -5.126 -10.680 -0.653 1.00 0.00 H new ATOM 0 HB3 LYS A 542 -5.569 -12.230 -1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 542 -4.872 -13.243 0.968 1.00 0.00 H new ATOM 0 HG3 LYS A 542 -4.904 -11.595 1.561 1.00 0.00 H new ATOM 0 HD2 LYS A 542 -7.190 -13.300 0.569 1.00 0.00 H new ATOM 0 HD3 LYS A 542 -7.094 -12.322 2.020 1.00 0.00 H new ATOM 0 HE2 LYS A 542 -7.020 -10.259 0.453 1.00 0.00 H new ATOM 0 HE3 LYS A 542 -7.463 -11.349 -0.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 542 -9.405 -10.320 0.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 542 -9.434 -11.996 0.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 542 -9.004 -10.939 1.665 1.00 0.00 H new ATOM 208 N GLY A 543 -2.606 -14.048 0.114 1.00 0.00 N ATOM 209 CA GLY A 543 -2.376 -13.232 1.294 1.00 0.00 C ATOM 210 C GLY A 543 -2.505 -14.064 2.571 1.00 0.00 C ATOM 211 O GLY A 543 -1.820 -15.073 2.731 1.00 0.00 O ATOM 0 H GLY A 543 -2.331 -15.025 0.212 1.00 0.00 H new ATOM 0 HA2 GLY A 543 -1.382 -12.787 1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 543 -3.092 -12.410 1.317 1.00 0.00 H new ATOM 215 N PHE A 544 -3.389 -13.611 3.448 1.00 0.00 N ATOM 216 CA PHE A 544 -3.617 -14.301 4.706 1.00 0.00 C ATOM 217 C PHE A 544 -5.109 -14.348 5.043 1.00 0.00 C ATOM 218 O PHE A 544 -5.795 -15.310 4.704 1.00 0.00 O ATOM 219 CB PHE A 544 -2.886 -13.507 5.791 1.00 0.00 C ATOM 220 CG PHE A 544 -1.525 -14.089 6.176 1.00 0.00 C ATOM 221 CD1 PHE A 544 -0.441 -13.866 5.386 1.00 0.00 C ATOM 222 CD2 PHE A 544 -1.398 -14.830 7.310 1.00 0.00 C ATOM 223 CE1 PHE A 544 0.823 -14.406 5.744 1.00 0.00 C ATOM 224 CE2 PHE A 544 -0.135 -15.370 7.668 1.00 0.00 C ATOM 225 CZ PHE A 544 0.949 -15.147 6.877 1.00 0.00 C ATOM 0 H PHE A 544 -3.956 -12.774 3.312 1.00 0.00 H new ATOM 0 HA PHE A 544 -3.254 -15.327 4.639 1.00 0.00 H new ATOM 0 HB2 PHE A 544 -2.747 -12.482 5.446 1.00 0.00 H new ATOM 0 HB3 PHE A 544 -3.515 -13.462 6.680 1.00 0.00 H new ATOM 0 HD1 PHE A 544 -0.541 -13.278 4.486 1.00 0.00 H new ATOM 0 HD2 PHE A 544 -2.259 -15.007 7.938 1.00 0.00 H new ATOM 0 HE1 PHE A 544 1.684 -14.228 5.116 1.00 0.00 H new ATOM 0 HE2 PHE A 544 -0.035 -15.958 8.568 1.00 0.00 H new ATOM 0 HZ PHE A 544 1.910 -15.559 7.149 1.00 0.00 H new ATOM 235 N ASN A 545 -5.566 -13.296 5.706 1.00 0.00 N ATOM 236 CA ASN A 545 -6.964 -13.205 6.093 1.00 0.00 C ATOM 237 C ASN A 545 -7.420 -11.748 6.001 1.00 0.00 C ATOM 238 O ASN A 545 -8.347 -11.339 6.698 1.00 0.00 O ATOM 239 CB ASN A 545 -7.168 -13.674 7.535 1.00 0.00 C ATOM 240 CG ASN A 545 -6.909 -15.177 7.664 1.00 0.00 C ATOM 241 OD1 ASN A 545 -7.761 -16.006 7.390 1.00 0.00 O ATOM 242 ND2 ASN A 545 -5.689 -15.480 8.097 1.00 0.00 N ATOM 0 H ASN A 545 -4.993 -12.499 5.985 1.00 0.00 H new ATOM 0 HA ASN A 545 -7.542 -13.841 5.422 1.00 0.00 H new ATOM 0 HB2 ASN A 545 -6.497 -13.127 8.197 1.00 0.00 H new ATOM 0 HB3 ASN A 545 -8.185 -13.448 7.854 1.00 0.00 H new ATOM 0 HD21 ASN A 545 -5.418 -16.456 8.218 1.00 0.00 H new ATOM 0 HD22 ASN A 545 -5.024 -14.736 8.308 1.00 0.00 H new ATOM 249 N SER A 546 -6.748 -11.004 5.135 1.00 0.00 N ATOM 250 CA SER A 546 -7.073 -9.601 4.942 1.00 0.00 C ATOM 251 C SER A 546 -6.325 -8.745 5.967 1.00 0.00 C ATOM 252 O SER A 546 -6.933 -8.189 6.879 1.00 0.00 O ATOM 253 CB SER A 546 -8.580 -9.364 5.053 1.00 0.00 C ATOM 254 OG SER A 546 -9.332 -10.429 4.476 1.00 0.00 O ATOM 0 H SER A 546 -5.979 -11.347 4.559 1.00 0.00 H new ATOM 0 HA SER A 546 -6.760 -9.313 3.938 1.00 0.00 H new ATOM 0 HB2 SER A 546 -8.853 -9.254 6.102 1.00 0.00 H new ATOM 0 HB3 SER A 546 -8.837 -8.428 4.557 1.00 0.00 H new ATOM 0 HG SER A 546 -10.289 -10.241 4.568 1.00 0.00 H new ATOM 260 N PRO A 547 -4.980 -8.666 5.776 1.00 0.00 N ATOM 261 CA PRO A 547 -4.143 -7.887 6.673 1.00 0.00 C ATOM 262 C PRO A 547 -4.304 -6.388 6.410 1.00 0.00 C ATOM 263 O PRO A 547 -4.436 -5.966 5.263 1.00 0.00 O ATOM 264 CB PRO A 547 -2.729 -8.385 6.422 1.00 0.00 C ATOM 265 CG PRO A 547 -2.767 -9.088 5.074 1.00 0.00 C ATOM 266 CD PRO A 547 -4.225 -9.312 4.707 1.00 0.00 C ATOM 0 HA PRO A 547 -4.416 -8.014 7.720 1.00 0.00 H new ATOM 0 HB2 PRO A 547 -2.020 -7.557 6.411 1.00 0.00 H new ATOM 0 HB3 PRO A 547 -2.410 -9.068 7.210 1.00 0.00 H new ATOM 0 HG2 PRO A 547 -2.270 -8.484 4.314 1.00 0.00 H new ATOM 0 HG3 PRO A 547 -2.235 -10.038 5.124 1.00 0.00 H new ATOM 0 HD2 PRO A 547 -4.461 -8.876 3.736 1.00 0.00 H new ATOM 0 HD3 PRO A 547 -4.459 -10.375 4.644 1.00 0.00 H new ATOM 274 N TYR A 548 -4.287 -5.625 7.493 1.00 0.00 N ATOM 275 CA TYR A 548 -4.429 -4.183 7.395 1.00 0.00 C ATOM 276 C TYR A 548 -3.123 -3.533 6.933 1.00 0.00 C ATOM 277 O TYR A 548 -2.038 -4.001 7.274 1.00 0.00 O ATOM 278 CB TYR A 548 -4.756 -3.694 8.807 1.00 0.00 C ATOM 279 CG TYR A 548 -6.255 -3.580 9.095 1.00 0.00 C ATOM 280 CD1 TYR A 548 -6.923 -2.404 8.820 1.00 0.00 C ATOM 281 CD2 TYR A 548 -6.938 -4.654 9.629 1.00 0.00 C ATOM 282 CE1 TYR A 548 -8.333 -2.297 9.091 1.00 0.00 C ATOM 283 CE2 TYR A 548 -8.348 -4.547 9.900 1.00 0.00 C ATOM 284 CZ TYR A 548 -8.976 -3.374 9.617 1.00 0.00 C ATOM 285 OH TYR A 548 -10.308 -3.273 9.873 1.00 0.00 O ATOM 0 H TYR A 548 -4.177 -5.979 8.443 1.00 0.00 H new ATOM 0 HA TYR A 548 -5.203 -3.922 6.673 1.00 0.00 H new ATOM 0 HB2 TYR A 548 -4.309 -4.377 9.529 1.00 0.00 H new ATOM 0 HB3 TYR A 548 -4.292 -2.720 8.959 1.00 0.00 H new ATOM 0 HD1 TYR A 548 -6.388 -1.564 8.402 1.00 0.00 H new ATOM 0 HD2 TYR A 548 -6.415 -5.574 9.843 1.00 0.00 H new ATOM 0 HE1 TYR A 548 -8.868 -1.382 8.881 1.00 0.00 H new ATOM 0 HE2 TYR A 548 -8.895 -5.379 10.318 1.00 0.00 H new ATOM 0 HH TYR A 548 -10.635 -4.119 10.246 1.00 0.00 H new ATOM 295 N ILE A 549 -3.271 -2.464 6.163 1.00 0.00 N ATOM 296 CA ILE A 549 -2.117 -1.746 5.651 1.00 0.00 C ATOM 297 C ILE A 549 -2.115 -0.324 6.216 1.00 0.00 C ATOM 298 O ILE A 549 -3.170 0.294 6.356 1.00 0.00 O ATOM 299 CB ILE A 549 -2.087 -1.800 4.122 1.00 0.00 C ATOM 300 CG1 ILE A 549 -1.334 -0.600 3.545 1.00 0.00 C ATOM 301 CG2 ILE A 549 -3.501 -1.919 3.550 1.00 0.00 C ATOM 302 CD1 ILE A 549 -1.131 -0.753 2.037 1.00 0.00 C ATOM 0 H ILE A 549 -4.173 -2.079 5.882 1.00 0.00 H new ATOM 0 HA ILE A 549 -1.194 -2.223 5.982 1.00 0.00 H new ATOM 0 HB ILE A 549 -1.542 -2.695 3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -1.890 0.315 3.750 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -0.367 -0.502 4.038 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -3.451 -1.955 2.462 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -3.969 -2.830 3.923 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -4.092 -1.056 3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -0.593 0.114 1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -0.554 -1.656 1.837 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -2.101 -0.826 1.545 1.00 0.00 H new ATOM 314 N HIS A 550 -0.919 0.155 6.524 1.00 0.00 N ATOM 315 CA HIS A 550 -0.766 1.493 7.070 1.00 0.00 C ATOM 316 C HIS A 550 0.321 2.242 6.297 1.00 0.00 C ATOM 317 O HIS A 550 1.480 1.828 6.289 1.00 0.00 O ATOM 318 CB HIS A 550 -0.492 1.437 8.575 1.00 0.00 C ATOM 319 CG HIS A 550 -0.692 2.755 9.284 1.00 0.00 C ATOM 320 ND1 HIS A 550 -1.272 2.852 10.537 1.00 0.00 N ATOM 321 CD2 HIS A 550 -0.382 4.028 8.904 1.00 0.00 C ATOM 322 CE1 HIS A 550 -1.305 4.130 10.885 1.00 0.00 C ATOM 323 NE2 HIS A 550 -0.754 4.857 9.871 1.00 0.00 N ATOM 0 H HIS A 550 -0.046 -0.360 6.406 1.00 0.00 H new ATOM 0 HA HIS A 550 -1.696 2.048 6.949 1.00 0.00 H new ATOM 0 HB2 HIS A 550 -1.146 0.691 9.026 1.00 0.00 H new ATOM 0 HB3 HIS A 550 0.533 1.101 8.735 1.00 0.00 H new ATOM 0 HD1 HIS A 550 -1.616 2.072 11.097 1.00 0.00 H new ATOM 0 HD2 HIS A 550 0.087 4.313 7.974 1.00 0.00 H new ATOM 0 HE1 HIS A 550 -1.699 4.526 11.809 1.00 0.00 H new ATOM 331 N TYR A 551 -0.091 3.331 5.665 1.00 0.00 N ATOM 332 CA TYR A 551 0.834 4.141 4.890 1.00 0.00 C ATOM 333 C TYR A 551 0.764 5.609 5.315 1.00 0.00 C ATOM 334 O TYR A 551 -0.215 6.037 5.925 1.00 0.00 O ATOM 335 CB TYR A 551 0.381 4.021 3.434 1.00 0.00 C ATOM 336 CG TYR A 551 -1.101 3.677 3.269 1.00 0.00 C ATOM 337 CD1 TYR A 551 -2.066 4.607 3.598 1.00 0.00 C ATOM 338 CD2 TYR A 551 -1.472 2.436 2.791 1.00 0.00 C ATOM 339 CE1 TYR A 551 -3.460 4.282 3.443 1.00 0.00 C ATOM 340 CE2 TYR A 551 -2.866 2.112 2.636 1.00 0.00 C ATOM 341 CZ TYR A 551 -3.791 3.051 2.970 1.00 0.00 C ATOM 342 OH TYR A 551 -5.109 2.745 2.823 1.00 0.00 O ATOM 0 H TYR A 551 -1.052 3.671 5.674 1.00 0.00 H new ATOM 0 HA TYR A 551 1.859 3.802 5.038 1.00 0.00 H new ATOM 0 HB2 TYR A 551 0.584 4.962 2.922 1.00 0.00 H new ATOM 0 HB3 TYR A 551 0.978 3.254 2.940 1.00 0.00 H new ATOM 0 HD1 TYR A 551 -1.776 5.578 3.971 1.00 0.00 H new ATOM 0 HD2 TYR A 551 -0.717 1.708 2.533 1.00 0.00 H new ATOM 0 HE1 TYR A 551 -4.226 5.000 3.697 1.00 0.00 H new ATOM 0 HE2 TYR A 551 -3.170 1.145 2.263 1.00 0.00 H new ATOM 0 HH TYR A 551 -5.197 1.911 2.316 1.00 0.00 H new ATOM 352 N ARG A 552 1.815 6.341 4.975 1.00 0.00 N ATOM 353 CA ARG A 552 1.885 7.753 5.313 1.00 0.00 C ATOM 354 C ARG A 552 2.463 8.551 4.143 1.00 0.00 C ATOM 355 O ARG A 552 3.387 8.094 3.472 1.00 0.00 O ATOM 356 CB ARG A 552 2.751 7.979 6.554 1.00 0.00 C ATOM 357 CG ARG A 552 3.686 9.175 6.358 1.00 0.00 C ATOM 358 CD ARG A 552 4.271 9.638 7.694 1.00 0.00 C ATOM 359 NE ARG A 552 5.454 8.819 8.040 1.00 0.00 N ATOM 360 CZ ARG A 552 6.353 9.153 8.990 1.00 0.00 C ATOM 361 NH1 ARG A 552 6.211 10.293 9.698 1.00 0.00 N ATOM 362 NH2 ARG A 552 7.374 8.347 9.217 1.00 0.00 N ATOM 0 H ARG A 552 2.625 5.983 4.469 1.00 0.00 H new ATOM 0 HA ARG A 552 0.872 8.095 5.524 1.00 0.00 H new ATOM 0 HB2 ARG A 552 2.113 8.149 7.421 1.00 0.00 H new ATOM 0 HB3 ARG A 552 3.338 7.084 6.761 1.00 0.00 H new ATOM 0 HG2 ARG A 552 4.493 8.902 5.678 1.00 0.00 H new ATOM 0 HG3 ARG A 552 3.140 9.995 5.892 1.00 0.00 H new ATOM 0 HD2 ARG A 552 4.552 10.689 7.632 1.00 0.00 H new ATOM 0 HD3 ARG A 552 3.519 9.554 8.478 1.00 0.00 H new ATOM 0 HE ARG A 552 5.599 7.948 7.529 1.00 0.00 H new ATOM 0 HH11 ARG A 552 5.419 10.910 9.517 1.00 0.00 H new ATOM 0 HH12 ARG A 552 6.895 10.537 10.414 1.00 0.00 H new ATOM 0 HH21 ARG A 552 7.474 7.487 8.678 1.00 0.00 H new ATOM 0 HH22 ARG A 552 8.062 8.585 9.931 1.00 0.00 H new ATOM 375 N PRO A 553 1.879 9.760 3.928 1.00 0.00 N ATOM 376 CA PRO A 553 2.326 10.626 2.851 1.00 0.00 C ATOM 377 C PRO A 553 3.659 11.293 3.200 1.00 0.00 C ATOM 378 O PRO A 553 3.897 11.645 4.354 1.00 0.00 O ATOM 379 CB PRO A 553 1.197 11.624 2.653 1.00 0.00 C ATOM 380 CG PRO A 553 0.369 11.573 3.927 1.00 0.00 C ATOM 381 CD PRO A 553 0.782 10.333 4.702 1.00 0.00 C ATOM 0 HA PRO A 553 2.524 10.080 1.928 1.00 0.00 H new ATOM 0 HB2 PRO A 553 1.588 12.627 2.481 1.00 0.00 H new ATOM 0 HB3 PRO A 553 0.593 11.364 1.784 1.00 0.00 H new ATOM 0 HG2 PRO A 553 0.533 12.469 4.525 1.00 0.00 H new ATOM 0 HG3 PRO A 553 -0.694 11.538 3.690 1.00 0.00 H new ATOM 0 HD2 PRO A 553 1.101 10.586 5.713 1.00 0.00 H new ATOM 0 HD3 PRO A 553 -0.046 9.630 4.795 1.00 0.00 H new ATOM 389 N ALA A 554 4.493 11.444 2.182 1.00 0.00 N ATOM 390 CA ALA A 554 5.795 12.062 2.367 1.00 0.00 C ATOM 391 C ALA A 554 5.616 13.567 2.576 1.00 0.00 C ATOM 392 O ALA A 554 6.139 14.371 1.807 1.00 0.00 O ATOM 393 CB ALA A 554 6.687 11.743 1.165 1.00 0.00 C ATOM 0 H ALA A 554 4.293 11.149 1.226 1.00 0.00 H new ATOM 0 HA ALA A 554 6.287 11.662 3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 554 7.664 12.207 1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 554 6.807 10.663 1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 554 6.226 12.132 0.257 1.00 0.00 H new ATOM 399 N GLY A 555 4.874 13.902 3.622 1.00 0.00 N ATOM 400 CA GLY A 555 4.619 15.296 3.942 1.00 0.00 C ATOM 401 C GLY A 555 3.260 15.462 4.627 1.00 0.00 C ATOM 402 O GLY A 555 2.546 16.430 4.371 1.00 0.00 O ATOM 0 H GLY A 555 4.442 13.232 4.258 1.00 0.00 H new ATOM 0 HA2 GLY A 555 5.407 15.673 4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 555 4.646 15.893 3.030 1.00 0.00 H new ATOM 406 N GLY A 556 2.944 14.502 5.483 1.00 0.00 N ATOM 407 CA GLY A 556 1.684 14.529 6.207 1.00 0.00 C ATOM 408 C GLY A 556 1.843 13.934 7.607 1.00 0.00 C ATOM 409 O GLY A 556 2.221 14.636 8.544 1.00 0.00 O ATOM 0 H GLY A 556 3.539 13.700 5.692 1.00 0.00 H new ATOM 0 HA2 GLY A 556 1.326 15.556 6.283 1.00 0.00 H new ATOM 0 HA3 GLY A 556 0.930 13.969 5.653 1.00 0.00 H new ATOM 413 N SER A 557 1.545 12.647 7.706 1.00 0.00 N ATOM 414 CA SER A 557 1.650 11.950 8.976 1.00 0.00 C ATOM 415 C SER A 557 1.215 10.492 8.810 1.00 0.00 C ATOM 416 O SER A 557 1.002 10.028 7.692 1.00 0.00 O ATOM 417 CB SER A 557 0.807 12.636 10.052 1.00 0.00 C ATOM 418 OG SER A 557 0.898 11.969 11.308 1.00 0.00 O ATOM 0 H SER A 557 1.231 12.069 6.927 1.00 0.00 H new ATOM 0 HA SER A 557 2.691 11.978 9.296 1.00 0.00 H new ATOM 0 HB2 SER A 557 1.135 13.669 10.166 1.00 0.00 H new ATOM 0 HB3 SER A 557 -0.235 12.666 9.732 1.00 0.00 H new ATOM 0 HG SER A 557 0.347 12.439 11.969 1.00 0.00 H new ATOM 424 N TRP A 558 1.097 9.811 9.941 1.00 0.00 N ATOM 425 CA TRP A 558 0.691 8.416 9.935 1.00 0.00 C ATOM 426 C TRP A 558 -0.828 8.365 10.113 1.00 0.00 C ATOM 427 O TRP A 558 -1.356 8.846 11.114 1.00 0.00 O ATOM 428 CB TRP A 558 1.445 7.621 11.003 1.00 0.00 C ATOM 429 CG TRP A 558 2.893 7.296 10.630 1.00 0.00 C ATOM 430 CD1 TRP A 558 4.013 7.861 11.102 1.00 0.00 C ATOM 431 CD2 TRP A 558 3.334 6.301 9.683 1.00 0.00 C ATOM 432 NE1 TRP A 558 5.139 7.305 10.530 1.00 0.00 N ATOM 433 CE2 TRP A 558 4.713 6.326 9.640 1.00 0.00 C ATOM 434 CE3 TRP A 558 2.592 5.409 8.889 1.00 0.00 C ATOM 435 CZ2 TRP A 558 5.470 5.482 8.818 1.00 0.00 C ATOM 436 CZ3 TRP A 558 3.363 4.572 8.073 1.00 0.00 C ATOM 437 CH2 TRP A 558 4.752 4.585 8.018 1.00 0.00 C ATOM 0 H TRP A 558 1.275 10.200 10.867 1.00 0.00 H new ATOM 0 HA TRP A 558 0.947 7.944 8.986 1.00 0.00 H new ATOM 0 HB2 TRP A 558 1.439 8.187 11.935 1.00 0.00 H new ATOM 0 HB3 TRP A 558 0.911 6.690 11.192 1.00 0.00 H new ATOM 0 HD1 TRP A 558 4.032 8.652 11.837 1.00 0.00 H new ATOM 0 HE1 TRP A 558 6.106 7.565 10.725 1.00 0.00 H new ATOM 0 HE3 TRP A 558 1.513 5.372 8.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 558 6.549 5.521 8.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 558 2.842 3.867 7.442 1.00 0.00 H new ATOM 0 HH2 TRP A 558 5.275 3.906 7.361 1.00 0.00 H new ATOM 448 N THR A 559 -1.487 7.776 9.126 1.00 0.00 N ATOM 449 CA THR A 559 -2.935 7.656 9.160 1.00 0.00 C ATOM 450 C THR A 559 -3.383 6.983 10.460 1.00 0.00 C ATOM 451 O THR A 559 -2.561 6.449 11.202 1.00 0.00 O ATOM 452 CB THR A 559 -3.377 6.904 7.903 1.00 0.00 C ATOM 453 OG1 THR A 559 -3.138 7.827 6.845 1.00 0.00 O ATOM 454 CG2 THR A 559 -4.889 6.672 7.861 1.00 0.00 C ATOM 0 H THR A 559 -1.045 7.377 8.298 1.00 0.00 H new ATOM 0 HA THR A 559 -3.414 8.635 9.155 1.00 0.00 H new ATOM 0 HB THR A 559 -2.861 5.945 7.853 1.00 0.00 H new ATOM 0 HG1 THR A 559 -3.396 7.420 5.991 1.00 0.00 H new ATOM 0 HG21 THR A 559 -5.149 6.135 6.949 1.00 0.00 H new ATOM 0 HG22 THR A 559 -5.191 6.084 8.728 1.00 0.00 H new ATOM 0 HG23 THR A 559 -5.405 7.632 7.876 1.00 0.00 H new ATOM 462 N ALA A 560 -4.686 7.031 10.694 1.00 0.00 N ATOM 463 CA ALA A 560 -5.253 6.433 11.891 1.00 0.00 C ATOM 464 C ALA A 560 -5.039 4.919 11.850 1.00 0.00 C ATOM 465 O ALA A 560 -5.688 4.217 11.075 1.00 0.00 O ATOM 466 CB ALA A 560 -6.732 6.810 11.998 1.00 0.00 C ATOM 0 H ALA A 560 -5.365 7.474 10.076 1.00 0.00 H new ATOM 0 HA ALA A 560 -4.754 6.812 12.783 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -7.158 6.362 12.896 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -6.828 7.894 12.053 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -7.265 6.443 11.121 1.00 0.00 H new ATOM 472 N ALA A 561 -4.127 4.459 12.693 1.00 0.00 N ATOM 473 CA ALA A 561 -3.819 3.041 12.763 1.00 0.00 C ATOM 474 C ALA A 561 -5.002 2.297 13.388 1.00 0.00 C ATOM 475 O ALA A 561 -5.542 2.726 14.406 1.00 0.00 O ATOM 476 CB ALA A 561 -2.522 2.838 13.548 1.00 0.00 C ATOM 0 H ALA A 561 -3.591 5.044 13.334 1.00 0.00 H new ATOM 0 HA ALA A 561 -3.663 2.632 11.765 1.00 0.00 H new ATOM 0 HB1 ALA A 561 -2.291 1.774 13.600 1.00 0.00 H new ATOM 0 HB2 ALA A 561 -1.708 3.362 13.047 1.00 0.00 H new ATOM 0 HB3 ALA A 561 -2.642 3.233 14.557 1.00 0.00 H new ATOM 482 N PRO A 562 -5.378 1.165 12.735 1.00 0.00 N ATOM 483 CA PRO A 562 -4.685 0.727 11.535 1.00 0.00 C ATOM 484 C PRO A 562 -5.071 1.591 10.333 1.00 0.00 C ATOM 485 O PRO A 562 -6.205 2.059 10.239 1.00 0.00 O ATOM 486 CB PRO A 562 -5.074 -0.733 11.367 1.00 0.00 C ATOM 487 CG PRO A 562 -6.327 -0.930 12.205 1.00 0.00 C ATOM 488 CD PRO A 562 -6.470 0.276 13.120 1.00 0.00 C ATOM 0 HA PRO A 562 -3.603 0.831 11.612 1.00 0.00 H new ATOM 0 HB2 PRO A 562 -5.264 -0.969 10.320 1.00 0.00 H new ATOM 0 HB3 PRO A 562 -4.273 -1.392 11.702 1.00 0.00 H new ATOM 0 HG2 PRO A 562 -7.203 -1.029 11.564 1.00 0.00 H new ATOM 0 HG3 PRO A 562 -6.255 -1.847 12.790 1.00 0.00 H new ATOM 0 HD2 PRO A 562 -7.438 0.759 12.990 1.00 0.00 H new ATOM 0 HD3 PRO A 562 -6.395 -0.012 14.169 1.00 0.00 H new ATOM 496 N GLY A 563 -4.107 1.775 9.443 1.00 0.00 N ATOM 497 CA GLY A 563 -4.331 2.574 8.251 1.00 0.00 C ATOM 498 C GLY A 563 -5.701 2.273 7.639 1.00 0.00 C ATOM 499 O GLY A 563 -6.722 2.755 8.125 1.00 0.00 O ATOM 0 H GLY A 563 -3.168 1.384 9.524 1.00 0.00 H new ATOM 0 HA2 GLY A 563 -4.265 3.633 8.501 1.00 0.00 H new ATOM 0 HA3 GLY A 563 -3.549 2.370 7.520 1.00 0.00 H new ATOM 503 N VAL A 564 -5.678 1.476 6.580 1.00 0.00 N ATOM 504 CA VAL A 564 -6.905 1.104 5.897 1.00 0.00 C ATOM 505 C VAL A 564 -6.866 -0.389 5.565 1.00 0.00 C ATOM 506 O VAL A 564 -5.793 -0.984 5.488 1.00 0.00 O ATOM 507 CB VAL A 564 -7.104 1.986 4.662 1.00 0.00 C ATOM 508 CG1 VAL A 564 -8.586 2.091 4.297 1.00 0.00 C ATOM 509 CG2 VAL A 564 -6.492 3.372 4.874 1.00 0.00 C ATOM 0 H VAL A 564 -4.829 1.078 6.179 1.00 0.00 H new ATOM 0 HA VAL A 564 -7.767 1.271 6.542 1.00 0.00 H new ATOM 0 HB VAL A 564 -6.586 1.515 3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 564 -8.700 2.723 3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 564 -8.979 1.097 4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 564 -9.136 2.528 5.131 1.00 0.00 H new ATOM 0 HG21 VAL A 564 -6.647 3.979 3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 564 -6.969 3.854 5.728 1.00 0.00 H new ATOM 0 HG23 VAL A 564 -5.423 3.273 5.064 1.00 0.00 H new ATOM 519 N LYS A 565 -8.051 -0.951 5.376 1.00 0.00 N ATOM 520 CA LYS A 565 -8.167 -2.363 5.054 1.00 0.00 C ATOM 521 C LYS A 565 -8.056 -2.547 3.539 1.00 0.00 C ATOM 522 O LYS A 565 -8.857 -1.999 2.784 1.00 0.00 O ATOM 523 CB LYS A 565 -9.448 -2.946 5.653 1.00 0.00 C ATOM 524 CG LYS A 565 -10.671 -2.550 4.822 1.00 0.00 C ATOM 525 CD LYS A 565 -11.017 -3.638 3.803 1.00 0.00 C ATOM 526 CE LYS A 565 -12.530 -3.844 3.713 1.00 0.00 C ATOM 527 NZ LYS A 565 -12.896 -5.206 4.161 1.00 0.00 N ATOM 0 H LYS A 565 -8.939 -0.454 5.440 1.00 0.00 H new ATOM 0 HA LYS A 565 -7.349 -2.925 5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -9.371 -4.032 5.699 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -9.569 -2.592 6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -11.523 -2.379 5.480 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -10.475 -1.611 4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -10.625 -3.362 2.824 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -10.535 -4.574 4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -13.041 -3.103 4.328 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -12.863 -3.691 2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -13.927 -5.329 4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -12.423 -5.909 3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -12.596 -5.339 5.148 1.00 0.00 H new ATOM 540 N MET A 566 -7.057 -3.321 3.141 1.00 0.00 N ATOM 541 CA MET A 566 -6.831 -3.584 1.729 1.00 0.00 C ATOM 542 C MET A 566 -8.156 -3.681 0.971 1.00 0.00 C ATOM 543 O MET A 566 -9.025 -4.475 1.330 1.00 0.00 O ATOM 544 CB MET A 566 -6.055 -4.893 1.572 1.00 0.00 C ATOM 545 CG MET A 566 -4.594 -4.718 1.991 1.00 0.00 C ATOM 546 SD MET A 566 -3.514 -5.355 0.720 1.00 0.00 S ATOM 547 CE MET A 566 -3.231 -3.865 -0.221 1.00 0.00 C ATOM 0 H MET A 566 -6.395 -3.774 3.771 1.00 0.00 H new ATOM 0 HA MET A 566 -6.255 -2.758 1.312 1.00 0.00 H new ATOM 0 HB2 MET A 566 -6.520 -5.671 2.178 1.00 0.00 H new ATOM 0 HB3 MET A 566 -6.102 -5.226 0.535 1.00 0.00 H new ATOM 0 HG2 MET A 566 -4.381 -3.663 2.166 1.00 0.00 H new ATOM 0 HG3 MET A 566 -4.411 -5.240 2.930 1.00 0.00 H new ATOM 0 HE1 MET A 566 -2.201 -3.850 -0.577 1.00 0.00 H new ATOM 0 HE2 MET A 566 -3.910 -3.838 -1.073 1.00 0.00 H new ATOM 0 HE3 MET A 566 -3.409 -2.996 0.412 1.00 0.00 H new ATOM 557 N GLN A 567 -8.271 -2.862 -0.064 1.00 0.00 N ATOM 558 CA GLN A 567 -9.475 -2.845 -0.876 1.00 0.00 C ATOM 559 C GLN A 567 -9.338 -3.819 -2.049 1.00 0.00 C ATOM 560 O GLN A 567 -8.553 -3.584 -2.966 1.00 0.00 O ATOM 561 CB GLN A 567 -9.784 -1.431 -1.371 1.00 0.00 C ATOM 562 CG GLN A 567 -10.859 -0.770 -0.506 1.00 0.00 C ATOM 563 CD GLN A 567 -10.609 0.734 -0.374 1.00 0.00 C ATOM 564 OE1 GLN A 567 -9.514 1.183 -0.076 1.00 0.00 O ATOM 565 NE2 GLN A 567 -11.681 1.484 -0.611 1.00 0.00 N ATOM 0 H GLN A 567 -7.549 -2.205 -0.359 1.00 0.00 H new ATOM 0 HA GLN A 567 -10.312 -3.168 -0.256 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -8.876 -0.829 -1.352 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -10.119 -1.470 -2.407 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -11.841 -0.942 -0.946 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -10.868 -1.229 0.483 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -12.568 1.043 -0.856 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -11.617 2.500 -0.548 1.00 0.00 H new ATOM 574 N ASP A 568 -10.114 -4.890 -1.980 1.00 0.00 N ATOM 575 CA ASP A 568 -10.089 -5.900 -3.025 1.00 0.00 C ATOM 576 C ASP A 568 -10.191 -5.218 -4.390 1.00 0.00 C ATOM 577 O ASP A 568 -11.024 -4.334 -4.587 1.00 0.00 O ATOM 578 CB ASP A 568 -11.271 -6.863 -2.889 1.00 0.00 C ATOM 579 CG ASP A 568 -11.944 -6.869 -1.515 1.00 0.00 C ATOM 580 OD1 ASP A 568 -12.857 -6.073 -1.247 1.00 0.00 O ATOM 581 OD2 ASP A 568 -11.490 -7.750 -0.689 1.00 0.00 O ATOM 0 H ASP A 568 -10.764 -5.081 -1.217 1.00 0.00 H new ATOM 0 HA ASP A 568 -9.157 -6.457 -2.933 1.00 0.00 H new ATOM 0 HB2 ASP A 568 -12.017 -6.607 -3.641 1.00 0.00 H new ATOM 0 HB3 ASP A 568 -10.926 -7.872 -3.112 1.00 0.00 H new ATOM 587 N ALA A 569 -9.331 -5.654 -5.299 1.00 0.00 N ATOM 588 CA ALA A 569 -9.313 -5.096 -6.641 1.00 0.00 C ATOM 589 C ALA A 569 -10.528 -5.608 -7.418 1.00 0.00 C ATOM 590 O ALA A 569 -11.600 -5.798 -6.846 1.00 0.00 O ATOM 591 CB ALA A 569 -7.991 -5.452 -7.325 1.00 0.00 C ATOM 0 H ALA A 569 -8.642 -6.387 -5.133 1.00 0.00 H new ATOM 0 HA ALA A 569 -9.379 -4.009 -6.605 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -7.978 -5.033 -8.331 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -7.161 -5.041 -6.750 1.00 0.00 H new ATOM 0 HB3 ALA A 569 -7.891 -6.536 -7.382 1.00 0.00 H new ATOM 597 N GLU A 570 -10.319 -5.818 -8.709 1.00 0.00 N ATOM 598 CA GLU A 570 -11.383 -6.305 -9.570 1.00 0.00 C ATOM 599 C GLU A 570 -10.947 -7.588 -10.280 1.00 0.00 C ATOM 600 O GLU A 570 -11.615 -8.048 -11.204 1.00 0.00 O ATOM 601 CB GLU A 570 -11.803 -5.235 -10.581 1.00 0.00 C ATOM 602 CG GLU A 570 -10.689 -4.972 -11.596 1.00 0.00 C ATOM 603 CD GLU A 570 -11.268 -4.640 -12.972 1.00 0.00 C ATOM 604 OE1 GLU A 570 -11.528 -3.464 -13.268 1.00 0.00 O ATOM 605 OE2 GLU A 570 -11.446 -5.654 -13.749 1.00 0.00 O ATOM 0 H GLU A 570 -9.428 -5.660 -9.180 1.00 0.00 H new ATOM 0 HA GLU A 570 -12.250 -6.533 -8.950 1.00 0.00 H new ATOM 0 HB2 GLU A 570 -12.706 -5.556 -11.101 1.00 0.00 H new ATOM 0 HB3 GLU A 570 -12.048 -4.311 -10.057 1.00 0.00 H new ATOM 0 HG2 GLU A 570 -10.065 -4.147 -11.251 1.00 0.00 H new ATOM 0 HG3 GLU A 570 -10.045 -5.849 -11.670 1.00 0.00 H new ATOM 613 N ILE A 571 -9.829 -8.130 -9.819 1.00 0.00 N ATOM 614 CA ILE A 571 -9.296 -9.352 -10.398 1.00 0.00 C ATOM 615 C ILE A 571 -10.020 -10.556 -9.793 1.00 0.00 C ATOM 616 O ILE A 571 -11.007 -11.035 -10.349 1.00 0.00 O ATOM 617 CB ILE A 571 -7.775 -9.403 -10.235 1.00 0.00 C ATOM 618 CG1 ILE A 571 -7.114 -8.182 -10.877 1.00 0.00 C ATOM 619 CG2 ILE A 571 -7.209 -10.715 -10.781 1.00 0.00 C ATOM 620 CD1 ILE A 571 -5.593 -8.341 -10.918 1.00 0.00 C ATOM 0 H ILE A 571 -9.278 -7.746 -9.052 1.00 0.00 H new ATOM 0 HA ILE A 571 -9.479 -9.376 -11.472 1.00 0.00 H new ATOM 0 HB ILE A 571 -7.544 -9.371 -9.170 1.00 0.00 H new ATOM 0 HG12 ILE A 571 -7.497 -8.047 -11.889 1.00 0.00 H new ATOM 0 HG13 ILE A 571 -7.375 -7.285 -10.315 1.00 0.00 H new ATOM 0 HG21 ILE A 571 -6.127 -10.726 -10.653 1.00 0.00 H new ATOM 0 HG22 ILE A 571 -7.647 -11.553 -10.239 1.00 0.00 H new ATOM 0 HG23 ILE A 571 -7.450 -10.802 -11.840 1.00 0.00 H new ATOM 0 HD11 ILE A 571 -5.147 -7.460 -11.379 1.00 0.00 H new ATOM 0 HD12 ILE A 571 -5.211 -8.452 -9.903 1.00 0.00 H new ATOM 0 HD13 ILE A 571 -5.335 -9.225 -11.501 1.00 0.00 H new ATOM 632 N SER A 572 -9.502 -11.011 -8.662 1.00 0.00 N ATOM 633 CA SER A 572 -10.086 -12.150 -7.975 1.00 0.00 C ATOM 634 C SER A 572 -9.127 -12.661 -6.899 1.00 0.00 C ATOM 635 O SER A 572 -8.271 -13.501 -7.173 1.00 0.00 O ATOM 636 CB SER A 572 -10.426 -13.271 -8.959 1.00 0.00 C ATOM 637 OG SER A 572 -11.825 -13.541 -8.999 1.00 0.00 O ATOM 0 H SER A 572 -8.683 -10.611 -8.204 1.00 0.00 H new ATOM 0 HA SER A 572 -11.012 -11.825 -7.501 1.00 0.00 H new ATOM 0 HB2 SER A 572 -10.081 -12.995 -9.956 1.00 0.00 H new ATOM 0 HB3 SER A 572 -9.890 -14.177 -8.676 1.00 0.00 H new ATOM 0 HG SER A 572 -12.281 -12.830 -9.496 1.00 0.00 H new ATOM 643 N GLY A 573 -9.301 -12.133 -5.696 1.00 0.00 N ATOM 644 CA GLY A 573 -8.462 -12.526 -4.577 1.00 0.00 C ATOM 645 C GLY A 573 -7.289 -11.558 -4.406 1.00 0.00 C ATOM 646 O GLY A 573 -6.383 -11.810 -3.613 1.00 0.00 O ATOM 0 H GLY A 573 -10.011 -11.436 -5.472 1.00 0.00 H new ATOM 0 HA2 GLY A 573 -9.056 -12.549 -3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 573 -8.085 -13.536 -4.738 1.00 0.00 H new ATOM 650 N TYR A 574 -7.344 -10.472 -5.163 1.00 0.00 N ATOM 651 CA TYR A 574 -6.297 -9.466 -5.105 1.00 0.00 C ATOM 652 C TYR A 574 -6.758 -8.241 -4.312 1.00 0.00 C ATOM 653 O TYR A 574 -7.956 -8.003 -4.171 1.00 0.00 O ATOM 654 CB TYR A 574 -6.031 -9.050 -6.553 1.00 0.00 C ATOM 655 CG TYR A 574 -4.817 -9.735 -7.184 1.00 0.00 C ATOM 656 CD1 TYR A 574 -4.889 -11.062 -7.555 1.00 0.00 C ATOM 657 CD2 TYR A 574 -3.650 -9.025 -7.381 1.00 0.00 C ATOM 658 CE1 TYR A 574 -3.746 -11.707 -8.149 1.00 0.00 C ATOM 659 CE2 TYR A 574 -2.507 -9.670 -7.975 1.00 0.00 C ATOM 660 CZ TYR A 574 -2.612 -10.979 -8.329 1.00 0.00 C ATOM 661 OH TYR A 574 -1.532 -11.587 -8.890 1.00 0.00 O ATOM 0 H TYR A 574 -8.097 -10.267 -5.820 1.00 0.00 H new ATOM 0 HA TYR A 574 -5.409 -9.864 -4.614 1.00 0.00 H new ATOM 0 HB2 TYR A 574 -6.914 -9.273 -7.152 1.00 0.00 H new ATOM 0 HB3 TYR A 574 -5.886 -7.970 -6.589 1.00 0.00 H new ATOM 0 HD1 TYR A 574 -5.802 -11.617 -7.400 1.00 0.00 H new ATOM 0 HD2 TYR A 574 -3.594 -7.986 -7.090 1.00 0.00 H new ATOM 0 HE1 TYR A 574 -3.789 -12.745 -8.445 1.00 0.00 H new ATOM 0 HE2 TYR A 574 -1.588 -9.126 -8.136 1.00 0.00 H new ATOM 0 HH TYR A 574 -0.794 -10.946 -8.958 1.00 0.00 H new ATOM 671 N ALA A 575 -5.781 -7.496 -3.815 1.00 0.00 N ATOM 672 CA ALA A 575 -6.071 -6.302 -3.040 1.00 0.00 C ATOM 673 C ALA A 575 -5.546 -5.074 -3.787 1.00 0.00 C ATOM 674 O ALA A 575 -4.613 -5.179 -4.582 1.00 0.00 O ATOM 675 CB ALA A 575 -5.462 -6.439 -1.643 1.00 0.00 C ATOM 0 H ALA A 575 -4.788 -7.696 -3.934 1.00 0.00 H new ATOM 0 HA ALA A 575 -7.147 -6.177 -2.916 1.00 0.00 H new ATOM 0 HB1 ALA A 575 -5.680 -5.543 -1.062 1.00 0.00 H new ATOM 0 HB2 ALA A 575 -5.889 -7.308 -1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 575 -4.382 -6.563 -1.727 1.00 0.00 H new ATOM 681 N LYS A 576 -6.168 -3.939 -3.505 1.00 0.00 N ATOM 682 CA LYS A 576 -5.775 -2.693 -4.141 1.00 0.00 C ATOM 683 C LYS A 576 -6.160 -1.520 -3.236 1.00 0.00 C ATOM 684 O LYS A 576 -7.301 -1.427 -2.786 1.00 0.00 O ATOM 685 CB LYS A 576 -6.363 -2.601 -5.550 1.00 0.00 C ATOM 686 CG LYS A 576 -7.791 -2.052 -5.513 1.00 0.00 C ATOM 687 CD LYS A 576 -8.320 -1.805 -6.927 1.00 0.00 C ATOM 688 CE LYS A 576 -7.933 -0.410 -7.422 1.00 0.00 C ATOM 689 NZ LYS A 576 -8.992 0.570 -7.088 1.00 0.00 N ATOM 0 H LYS A 576 -6.941 -3.856 -2.845 1.00 0.00 H new ATOM 0 HA LYS A 576 -4.693 -2.656 -4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 576 -5.738 -1.956 -6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 576 -6.361 -3.587 -6.014 1.00 0.00 H new ATOM 0 HG2 LYS A 576 -8.442 -2.756 -4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 576 -7.812 -1.122 -4.945 1.00 0.00 H new ATOM 0 HD2 LYS A 576 -7.921 -2.559 -7.605 1.00 0.00 H new ATOM 0 HD3 LYS A 576 -9.405 -1.910 -6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 576 -6.990 -0.105 -6.968 1.00 0.00 H new ATOM 0 HE3 LYS A 576 -7.775 -0.431 -8.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 576 -8.714 1.512 -7.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 576 -9.884 0.286 -7.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 576 -9.123 0.602 -6.057 1.00 0.00 H new ATOM 702 N ILE A 577 -5.185 -0.655 -2.996 1.00 0.00 N ATOM 703 CA ILE A 577 -5.408 0.507 -2.153 1.00 0.00 C ATOM 704 C ILE A 577 -4.989 1.769 -2.911 1.00 0.00 C ATOM 705 O ILE A 577 -4.037 1.743 -3.688 1.00 0.00 O ATOM 706 CB ILE A 577 -4.702 0.336 -0.807 1.00 0.00 C ATOM 707 CG1 ILE A 577 -3.500 1.276 -0.694 1.00 0.00 C ATOM 708 CG2 ILE A 577 -4.311 -1.125 -0.575 1.00 0.00 C ATOM 709 CD1 ILE A 577 -2.492 1.014 -1.814 1.00 0.00 C ATOM 0 H ILE A 577 -4.240 -0.736 -3.370 1.00 0.00 H new ATOM 0 HA ILE A 577 -6.468 0.611 -1.920 1.00 0.00 H new ATOM 0 HB ILE A 577 -5.401 0.612 -0.017 1.00 0.00 H new ATOM 0 HG12 ILE A 577 -3.838 2.311 -0.739 1.00 0.00 H new ATOM 0 HG13 ILE A 577 -3.017 1.140 0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 577 -3.811 -1.219 0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 577 -5.206 -1.747 -0.581 1.00 0.00 H new ATOM 0 HG23 ILE A 577 -3.637 -1.451 -1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 577 -1.648 1.695 -1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 577 -2.138 -0.015 -1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 577 -2.971 1.175 -2.780 1.00 0.00 H new ATOM 721 N THR A 578 -5.721 2.844 -2.657 1.00 0.00 N ATOM 722 CA THR A 578 -5.438 4.113 -3.305 1.00 0.00 C ATOM 723 C THR A 578 -5.287 5.222 -2.262 1.00 0.00 C ATOM 724 O THR A 578 -6.133 5.371 -1.382 1.00 0.00 O ATOM 725 CB THR A 578 -6.548 4.382 -4.323 1.00 0.00 C ATOM 726 OG1 THR A 578 -6.774 3.115 -4.934 1.00 0.00 O ATOM 727 CG2 THR A 578 -6.082 5.274 -5.475 1.00 0.00 C ATOM 0 H THR A 578 -6.510 2.862 -2.011 1.00 0.00 H new ATOM 0 HA THR A 578 -4.489 4.082 -3.839 1.00 0.00 H new ATOM 0 HB THR A 578 -7.395 4.850 -3.821 1.00 0.00 H new ATOM 0 HG1 THR A 578 -7.481 3.198 -5.607 1.00 0.00 H new ATOM 0 HG21 THR A 578 -6.908 5.434 -6.169 1.00 0.00 H new ATOM 0 HG22 THR A 578 -5.749 6.234 -5.080 1.00 0.00 H new ATOM 0 HG23 THR A 578 -5.257 4.791 -5.998 1.00 0.00 H new ATOM 735 N VAL A 579 -4.204 5.973 -2.396 1.00 0.00 N ATOM 736 CA VAL A 579 -3.931 7.064 -1.477 1.00 0.00 C ATOM 737 C VAL A 579 -3.601 8.327 -2.275 1.00 0.00 C ATOM 738 O VAL A 579 -2.793 8.288 -3.200 1.00 0.00 O ATOM 739 CB VAL A 579 -2.819 6.664 -0.504 1.00 0.00 C ATOM 740 CG1 VAL A 579 -1.442 7.007 -1.075 1.00 0.00 C ATOM 741 CG2 VAL A 579 -3.025 7.320 0.863 1.00 0.00 C ATOM 0 H VAL A 579 -3.505 5.847 -3.128 1.00 0.00 H new ATOM 0 HA VAL A 579 -4.811 7.282 -0.872 1.00 0.00 H new ATOM 0 HB VAL A 579 -2.865 5.584 -0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 579 -0.670 6.713 -0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 579 -1.294 6.473 -2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 579 -1.380 8.080 -1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 579 -2.222 7.020 1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 579 -3.018 8.404 0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 579 -3.982 7.004 1.278 1.00 0.00 H new ATOM 751 N ASP A 580 -4.245 9.419 -1.887 1.00 0.00 N ATOM 752 CA ASP A 580 -4.030 10.691 -2.554 1.00 0.00 C ATOM 753 C ASP A 580 -2.946 11.475 -1.812 1.00 0.00 C ATOM 754 O ASP A 580 -2.811 11.355 -0.595 1.00 0.00 O ATOM 755 CB ASP A 580 -5.306 11.535 -2.556 1.00 0.00 C ATOM 756 CG ASP A 580 -5.158 12.932 -3.162 1.00 0.00 C ATOM 757 OD1 ASP A 580 -4.374 13.760 -2.674 1.00 0.00 O ATOM 758 OD2 ASP A 580 -5.898 13.160 -4.194 1.00 0.00 O ATOM 0 H ASP A 580 -4.916 9.448 -1.119 1.00 0.00 H new ATOM 0 HA ASP A 580 -3.732 10.486 -3.582 1.00 0.00 H new ATOM 0 HB2 ASP A 580 -6.078 10.997 -3.106 1.00 0.00 H new ATOM 0 HB3 ASP A 580 -5.658 11.636 -1.529 1.00 0.00 H new ATOM 764 N ILE A 581 -2.201 12.261 -2.575 1.00 0.00 N ATOM 765 CA ILE A 581 -1.134 13.065 -2.005 1.00 0.00 C ATOM 766 C ILE A 581 -1.297 14.518 -2.456 1.00 0.00 C ATOM 767 O ILE A 581 -1.019 15.443 -1.696 1.00 0.00 O ATOM 768 CB ILE A 581 0.231 12.464 -2.348 1.00 0.00 C ATOM 769 CG1 ILE A 581 0.362 12.225 -3.853 1.00 0.00 C ATOM 770 CG2 ILE A 581 0.488 11.191 -1.540 1.00 0.00 C ATOM 771 CD1 ILE A 581 1.529 11.284 -4.160 1.00 0.00 C ATOM 0 H ILE A 581 -2.315 12.358 -3.584 1.00 0.00 H new ATOM 0 HA ILE A 581 -1.195 13.061 -0.917 1.00 0.00 H new ATOM 0 HB ILE A 581 1.001 13.183 -2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 581 -0.564 11.799 -4.239 1.00 0.00 H new ATOM 0 HG13 ILE A 581 0.513 13.176 -4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 581 1.464 10.784 -1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 581 0.467 11.425 -0.476 1.00 0.00 H new ATOM 0 HG23 ILE A 581 -0.284 10.455 -1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 581 1.600 11.131 -5.237 1.00 0.00 H new ATOM 0 HD12 ILE A 581 2.457 11.724 -3.794 1.00 0.00 H new ATOM 0 HD13 ILE A 581 1.363 10.326 -3.668 1.00 0.00 H new ATOM 783 N GLY A 582 -1.748 14.672 -3.693 1.00 0.00 N ATOM 784 CA GLY A 582 -1.952 15.996 -4.255 1.00 0.00 C ATOM 785 C GLY A 582 -0.833 16.950 -3.833 1.00 0.00 C ATOM 786 O GLY A 582 -1.098 18.062 -3.378 1.00 0.00 O ATOM 0 H GLY A 582 -1.978 13.902 -4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 582 -1.989 15.931 -5.342 1.00 0.00 H new ATOM 0 HA3 GLY A 582 -2.914 16.390 -3.926 1.00 0.00 H new ATOM 790 N SER A 583 0.395 16.480 -3.998 1.00 0.00 N ATOM 791 CA SER A 583 1.556 17.277 -3.639 1.00 0.00 C ATOM 792 C SER A 583 2.756 16.365 -3.378 1.00 0.00 C ATOM 793 O SER A 583 3.832 16.574 -3.936 1.00 0.00 O ATOM 794 CB SER A 583 1.271 18.144 -2.412 1.00 0.00 C ATOM 795 OG SER A 583 0.920 19.478 -2.770 1.00 0.00 O ATOM 0 H SER A 583 0.611 15.557 -4.375 1.00 0.00 H new ATOM 0 HA SER A 583 1.787 17.940 -4.473 1.00 0.00 H new ATOM 0 HB2 SER A 583 0.461 17.699 -1.834 1.00 0.00 H new ATOM 0 HB3 SER A 583 2.150 18.161 -1.768 1.00 0.00 H new ATOM 0 HG SER A 583 0.016 19.488 -3.147 1.00 0.00 H new ATOM 801 N ALA A 584 2.531 15.373 -2.529 1.00 0.00 N ATOM 802 CA ALA A 584 3.581 14.428 -2.187 1.00 0.00 C ATOM 803 C ALA A 584 3.962 13.623 -3.430 1.00 0.00 C ATOM 804 O ALA A 584 3.112 13.333 -4.271 1.00 0.00 O ATOM 805 CB ALA A 584 3.110 13.536 -1.036 1.00 0.00 C ATOM 0 H ALA A 584 1.637 15.203 -2.068 1.00 0.00 H new ATOM 0 HA ALA A 584 4.474 14.953 -1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 584 3.897 12.827 -0.779 1.00 0.00 H new ATOM 0 HB2 ALA A 584 2.880 14.153 -0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 584 2.216 12.991 -1.340 1.00 0.00 H new ATOM 811 N SER A 585 5.240 13.284 -3.508 1.00 0.00 N ATOM 812 CA SER A 585 5.744 12.517 -4.635 1.00 0.00 C ATOM 813 C SER A 585 6.176 11.125 -4.170 1.00 0.00 C ATOM 814 O SER A 585 6.655 10.321 -4.969 1.00 0.00 O ATOM 815 CB SER A 585 6.912 13.237 -5.313 1.00 0.00 C ATOM 816 OG SER A 585 6.501 14.450 -5.939 1.00 0.00 O ATOM 0 H SER A 585 5.942 13.526 -2.809 1.00 0.00 H new ATOM 0 HA SER A 585 4.942 12.416 -5.366 1.00 0.00 H new ATOM 0 HB2 SER A 585 7.683 13.454 -4.573 1.00 0.00 H new ATOM 0 HB3 SER A 585 7.361 12.579 -6.057 1.00 0.00 H new ATOM 0 HG SER A 585 7.275 14.880 -6.359 1.00 0.00 H new ATOM 822 N GLN A 586 5.992 10.883 -2.881 1.00 0.00 N ATOM 823 CA GLN A 586 6.357 9.603 -2.300 1.00 0.00 C ATOM 824 C GLN A 586 5.465 9.292 -1.096 1.00 0.00 C ATOM 825 O GLN A 586 5.186 10.172 -0.283 1.00 0.00 O ATOM 826 CB GLN A 586 7.835 9.580 -1.908 1.00 0.00 C ATOM 827 CG GLN A 586 8.679 8.905 -2.991 1.00 0.00 C ATOM 828 CD GLN A 586 10.154 8.853 -2.584 1.00 0.00 C ATOM 829 OE1 GLN A 586 10.725 9.816 -2.099 1.00 0.00 O ATOM 830 NE2 GLN A 586 10.736 7.678 -2.809 1.00 0.00 N ATOM 0 H GLN A 586 5.595 11.552 -2.222 1.00 0.00 H new ATOM 0 HA GLN A 586 6.202 8.828 -3.051 1.00 0.00 H new ATOM 0 HB2 GLN A 586 8.189 10.599 -1.749 1.00 0.00 H new ATOM 0 HB3 GLN A 586 7.956 9.049 -0.964 1.00 0.00 H new ATOM 0 HG2 GLN A 586 8.311 7.894 -3.167 1.00 0.00 H new ATOM 0 HG3 GLN A 586 8.576 9.450 -3.930 1.00 0.00 H new ATOM 0 HE21 GLN A 586 10.199 6.913 -3.218 1.00 0.00 H new ATOM 0 HE22 GLN A 586 11.719 7.542 -2.572 1.00 0.00 H new ATOM 839 N LEU A 587 5.043 8.039 -1.020 1.00 0.00 N ATOM 840 CA LEU A 587 4.189 7.602 0.071 1.00 0.00 C ATOM 841 C LEU A 587 4.658 6.231 0.563 1.00 0.00 C ATOM 842 O LEU A 587 4.904 5.331 -0.239 1.00 0.00 O ATOM 843 CB LEU A 587 2.719 7.633 -0.353 1.00 0.00 C ATOM 844 CG LEU A 587 1.693 7.474 0.771 1.00 0.00 C ATOM 845 CD1 LEU A 587 0.545 8.473 0.609 1.00 0.00 C ATOM 846 CD2 LEU A 587 1.191 6.032 0.855 1.00 0.00 C ATOM 0 H LEU A 587 5.277 7.312 -1.696 1.00 0.00 H new ATOM 0 HA LEU A 587 4.268 8.288 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 587 2.528 8.578 -0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 587 2.555 6.840 -1.082 1.00 0.00 H new ATOM 0 HG LEU A 587 2.185 7.699 1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 587 -0.171 8.340 1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 587 0.940 9.489 0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 587 0.047 8.303 -0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 587 0.463 5.947 1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 587 0.721 5.755 -0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 587 2.031 5.365 1.052 1.00 0.00 H new ATOM 858 N GLU A 588 4.768 6.115 1.878 1.00 0.00 N ATOM 859 CA GLU A 588 5.203 4.869 2.486 1.00 0.00 C ATOM 860 C GLU A 588 3.994 4.053 2.947 1.00 0.00 C ATOM 861 O GLU A 588 3.010 4.611 3.428 1.00 0.00 O ATOM 862 CB GLU A 588 6.162 5.132 3.649 1.00 0.00 C ATOM 863 CG GLU A 588 5.566 6.140 4.634 1.00 0.00 C ATOM 864 CD GLU A 588 6.348 7.455 4.613 1.00 0.00 C ATOM 865 OE1 GLU A 588 7.079 7.757 5.568 1.00 0.00 O ATOM 866 OE2 GLU A 588 6.176 8.175 3.557 1.00 0.00 O ATOM 0 H GLU A 588 4.563 6.864 2.540 1.00 0.00 H new ATOM 0 HA GLU A 588 5.743 4.291 1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 588 6.377 4.197 4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 588 7.110 5.510 3.265 1.00 0.00 H new ATOM 0 HG2 GLU A 588 4.523 6.329 4.380 1.00 0.00 H new ATOM 0 HG3 GLU A 588 5.578 5.721 5.640 1.00 0.00 H new ATOM 874 N ALA A 589 4.108 2.743 2.782 1.00 0.00 N ATOM 875 CA ALA A 589 3.037 1.843 3.175 1.00 0.00 C ATOM 876 C ALA A 589 3.637 0.598 3.831 1.00 0.00 C ATOM 877 O ALA A 589 4.657 0.083 3.376 1.00 0.00 O ATOM 878 CB ALA A 589 2.181 1.504 1.953 1.00 0.00 C ATOM 0 H ALA A 589 4.926 2.283 2.381 1.00 0.00 H new ATOM 0 HA ALA A 589 2.385 2.319 3.908 1.00 0.00 H new ATOM 0 HB1 ALA A 589 1.378 0.829 2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 589 1.754 2.419 1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 589 2.801 1.022 1.197 1.00 0.00 H new ATOM 884 N ALA A 590 2.977 0.150 4.889 1.00 0.00 N ATOM 885 CA ALA A 590 3.433 -1.026 5.612 1.00 0.00 C ATOM 886 C ALA A 590 2.305 -2.059 5.659 1.00 0.00 C ATOM 887 O ALA A 590 1.141 -1.722 5.450 1.00 0.00 O ATOM 888 CB ALA A 590 3.907 -0.615 7.007 1.00 0.00 C ATOM 0 H ALA A 590 2.131 0.579 5.263 1.00 0.00 H new ATOM 0 HA ALA A 590 4.280 -1.486 5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 590 4.249 -1.496 7.549 1.00 0.00 H new ATOM 0 HB2 ALA A 590 4.728 0.097 6.917 1.00 0.00 H new ATOM 0 HB3 ALA A 590 3.083 -0.152 7.550 1.00 0.00 H new ATOM 894 N PHE A 591 2.690 -3.296 5.936 1.00 0.00 N ATOM 895 CA PHE A 591 1.726 -4.380 6.014 1.00 0.00 C ATOM 896 C PHE A 591 1.711 -5.001 7.412 1.00 0.00 C ATOM 897 O PHE A 591 2.759 -5.363 7.946 1.00 0.00 O ATOM 898 CB PHE A 591 2.163 -5.441 5.002 1.00 0.00 C ATOM 899 CG PHE A 591 1.788 -5.113 3.555 1.00 0.00 C ATOM 900 CD1 PHE A 591 0.567 -4.586 3.272 1.00 0.00 C ATOM 901 CD2 PHE A 591 2.677 -5.347 2.553 1.00 0.00 C ATOM 902 CE1 PHE A 591 0.218 -4.282 1.930 1.00 0.00 C ATOM 903 CE2 PHE A 591 2.329 -5.043 1.210 1.00 0.00 C ATOM 904 CZ PHE A 591 1.107 -4.516 0.927 1.00 0.00 C ATOM 0 H PHE A 591 3.657 -3.572 6.109 1.00 0.00 H new ATOM 0 HA PHE A 591 0.725 -4.004 5.802 1.00 0.00 H new ATOM 0 HB2 PHE A 591 3.244 -5.567 5.067 1.00 0.00 H new ATOM 0 HB3 PHE A 591 1.714 -6.396 5.275 1.00 0.00 H new ATOM 0 HD1 PHE A 591 -0.138 -4.399 4.069 1.00 0.00 H new ATOM 0 HD2 PHE A 591 3.647 -5.764 2.778 1.00 0.00 H new ATOM 0 HE1 PHE A 591 -0.753 -3.865 1.705 1.00 0.00 H new ATOM 0 HE2 PHE A 591 3.034 -5.230 0.414 1.00 0.00 H new ATOM 0 HZ PHE A 591 0.843 -4.283 -0.094 1.00 0.00 H new ATOM 914 N ASN A 592 0.512 -5.106 7.966 1.00 0.00 N ATOM 915 CA ASN A 592 0.347 -5.678 9.291 1.00 0.00 C ATOM 916 C ASN A 592 -0.988 -6.421 9.359 1.00 0.00 C ATOM 917 O ASN A 592 -2.007 -5.919 8.885 1.00 0.00 O ATOM 918 CB ASN A 592 0.336 -4.587 10.364 1.00 0.00 C ATOM 919 CG ASN A 592 -0.802 -3.593 10.123 1.00 0.00 C ATOM 920 OD1 ASN A 592 -1.963 -3.961 10.658 1.00 0.00 O flip ATOM 921 ND2 ASN A 592 -0.637 -2.561 9.494 1.00 0.00 N flip ATOM 0 H ASN A 592 -0.355 -4.804 7.521 1.00 0.00 H new ATOM 0 HA ASN A 592 1.182 -6.355 9.472 1.00 0.00 H new ATOM 0 HB2 ASN A 592 0.225 -5.041 11.349 1.00 0.00 H new ATOM 0 HB3 ASN A 592 1.290 -4.060 10.362 1.00 0.00 H new ATOM 0 HD21 ASN A 592 0.282 -2.339 9.110 1.00 0.00 H new ATOM 0 HD22 ASN A 592 -1.418 -1.920 9.352 1.00 0.00 H new ATOM 928 N ASP A 593 -0.941 -7.605 9.952 1.00 0.00 N ATOM 929 CA ASP A 593 -2.135 -8.422 10.087 1.00 0.00 C ATOM 930 C ASP A 593 -3.104 -7.745 11.058 1.00 0.00 C ATOM 931 O ASP A 593 -4.294 -8.056 11.071 1.00 0.00 O ATOM 932 CB ASP A 593 -1.795 -9.805 10.647 1.00 0.00 C ATOM 933 CG ASP A 593 -2.952 -10.523 11.345 1.00 0.00 C ATOM 934 OD1 ASP A 593 -3.408 -11.585 10.896 1.00 0.00 O ATOM 935 OD2 ASP A 593 -3.393 -9.940 12.407 1.00 0.00 O ATOM 0 H ASP A 593 -0.095 -8.018 10.344 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.582 -8.532 9.099 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -1.437 -10.433 9.831 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -0.972 -9.702 11.354 1.00 0.00 H new ATOM 941 N GLY A 594 -2.558 -6.831 11.848 1.00 0.00 N ATOM 942 CA GLY A 594 -3.360 -6.107 12.820 1.00 0.00 C ATOM 943 C GLY A 594 -3.089 -6.612 14.238 1.00 0.00 C ATOM 944 O GLY A 594 -3.894 -6.394 15.143 1.00 0.00 O ATOM 0 H GLY A 594 -1.571 -6.576 11.835 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -3.136 -5.042 12.760 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -4.418 -6.224 12.584 1.00 0.00 H new ATOM 948 N ASN A 595 -1.954 -7.278 14.389 1.00 0.00 N ATOM 949 CA ASN A 595 -1.567 -7.815 15.682 1.00 0.00 C ATOM 950 C ASN A 595 -0.163 -7.320 16.037 1.00 0.00 C ATOM 951 O ASN A 595 0.579 -8.001 16.744 1.00 0.00 O ATOM 952 CB ASN A 595 -1.536 -9.345 15.656 1.00 0.00 C ATOM 953 CG ASN A 595 -2.284 -9.929 16.857 1.00 0.00 C ATOM 954 OD1 ASN A 595 -2.590 -9.248 17.822 1.00 0.00 O ATOM 955 ND2 ASN A 595 -2.560 -11.225 16.744 1.00 0.00 N ATOM 0 H ASN A 595 -1.289 -7.458 13.636 1.00 0.00 H new ATOM 0 HA ASN A 595 -2.298 -7.481 16.418 1.00 0.00 H new ATOM 0 HB2 ASN A 595 -1.987 -9.706 14.732 1.00 0.00 H new ATOM 0 HB3 ASN A 595 -0.503 -9.692 15.663 1.00 0.00 H new ATOM 0 HD21 ASN A 595 -3.057 -11.708 17.493 1.00 0.00 H new ATOM 0 HD22 ASN A 595 -2.275 -11.736 15.909 1.00 0.00 H new ATOM 962 N ASN A 596 0.159 -6.139 15.529 1.00 0.00 N ATOM 963 CA ASN A 596 1.460 -5.545 15.784 1.00 0.00 C ATOM 964 C ASN A 596 2.524 -6.294 14.978 1.00 0.00 C ATOM 965 O ASN A 596 3.715 -6.188 15.266 1.00 0.00 O ATOM 966 CB ASN A 596 1.832 -5.646 17.264 1.00 0.00 C ATOM 967 CG ASN A 596 2.182 -4.270 17.836 1.00 0.00 C ATOM 968 OD1 ASN A 596 2.649 -3.382 17.142 1.00 0.00 O ATOM 969 ND2 ASN A 596 1.932 -4.145 19.136 1.00 0.00 N ATOM 0 H ASN A 596 -0.459 -5.578 14.942 1.00 0.00 H new ATOM 0 HA ASN A 596 1.413 -4.495 15.495 1.00 0.00 H new ATOM 0 HB2 ASN A 596 1.001 -6.076 17.823 1.00 0.00 H new ATOM 0 HB3 ASN A 596 2.680 -6.320 17.385 1.00 0.00 H new ATOM 0 HD21 ASN A 596 2.132 -3.265 19.611 1.00 0.00 H new ATOM 0 HD22 ASN A 596 1.540 -4.929 19.658 1.00 0.00 H new ATOM 976 N ASN A 597 2.055 -7.035 13.984 1.00 0.00 N ATOM 977 CA ASN A 597 2.951 -7.801 13.135 1.00 0.00 C ATOM 978 C ASN A 597 3.153 -7.058 11.812 1.00 0.00 C ATOM 979 O ASN A 597 2.540 -7.403 10.803 1.00 0.00 O ATOM 980 CB ASN A 597 2.366 -9.179 12.818 1.00 0.00 C ATOM 981 CG ASN A 597 2.559 -10.139 13.994 1.00 0.00 C ATOM 982 OD1 ASN A 597 3.329 -9.896 14.908 1.00 0.00 O ATOM 983 ND2 ASN A 597 1.817 -11.241 13.919 1.00 0.00 N ATOM 0 H ASN A 597 1.066 -7.121 13.748 1.00 0.00 H new ATOM 0 HA ASN A 597 3.895 -7.923 13.665 1.00 0.00 H new ATOM 0 HB2 ASN A 597 1.304 -9.084 12.592 1.00 0.00 H new ATOM 0 HB3 ASN A 597 2.846 -9.586 11.928 1.00 0.00 H new ATOM 0 HD21 ASN A 597 1.873 -11.945 14.655 1.00 0.00 H new ATOM 0 HD22 ASN A 597 1.192 -11.382 13.125 1.00 0.00 H new ATOM 990 N TRP A 598 4.014 -6.052 11.861 1.00 0.00 N ATOM 991 CA TRP A 598 4.304 -5.257 10.679 1.00 0.00 C ATOM 992 C TRP A 598 5.482 -5.906 9.951 1.00 0.00 C ATOM 993 O TRP A 598 6.532 -6.142 10.548 1.00 0.00 O ATOM 994 CB TRP A 598 4.562 -3.796 11.051 1.00 0.00 C ATOM 995 CG TRP A 598 3.401 -3.128 11.791 1.00 0.00 C ATOM 996 CD1 TRP A 598 2.765 -3.559 12.889 1.00 0.00 C ATOM 997 CD2 TRP A 598 2.760 -1.883 11.439 1.00 0.00 C ATOM 998 NE1 TRP A 598 1.765 -2.687 13.269 1.00 0.00 N ATOM 999 CE2 TRP A 598 1.762 -1.636 12.360 1.00 0.00 C ATOM 1000 CE3 TRP A 598 3.016 -0.996 10.379 1.00 0.00 C ATOM 1001 CZ2 TRP A 598 0.940 -0.504 12.313 1.00 0.00 C ATOM 1002 CZ3 TRP A 598 2.185 0.131 10.346 1.00 0.00 C ATOM 1003 CH2 TRP A 598 1.176 0.394 11.265 1.00 0.00 C ATOM 0 H TRP A 598 4.520 -5.769 12.700 1.00 0.00 H new ATOM 0 HA TRP A 598 3.447 -5.238 10.006 1.00 0.00 H new ATOM 0 HB2 TRP A 598 5.455 -3.743 11.674 1.00 0.00 H new ATOM 0 HB3 TRP A 598 4.773 -3.232 10.142 1.00 0.00 H new ATOM 0 HD1 TRP A 598 3.005 -4.474 13.411 1.00 0.00 H new ATOM 0 HE1 TRP A 598 1.143 -2.794 14.070 1.00 0.00 H new ATOM 0 HE3 TRP A 598 3.792 -1.170 9.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 598 0.165 -0.332 13.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 598 2.339 0.846 9.551 1.00 0.00 H new ATOM 0 HH2 TRP A 598 0.576 1.287 11.171 1.00 0.00 H new ATOM 1014 N ASP A 599 5.270 -6.176 8.671 1.00 0.00 N ATOM 1015 CA ASP A 599 6.302 -6.793 7.855 1.00 0.00 C ATOM 1016 C ASP A 599 7.079 -5.704 7.114 1.00 0.00 C ATOM 1017 O ASP A 599 7.646 -5.954 6.052 1.00 0.00 O ATOM 1018 CB ASP A 599 5.691 -7.731 6.812 1.00 0.00 C ATOM 1019 CG ASP A 599 5.043 -8.996 7.380 1.00 0.00 C ATOM 1020 OD1 ASP A 599 4.017 -9.471 6.870 1.00 0.00 O ATOM 1021 OD2 ASP A 599 5.642 -9.503 8.403 1.00 0.00 O ATOM 0 H ASP A 599 4.399 -5.979 8.179 1.00 0.00 H new ATOM 0 HA ASP A 599 6.957 -7.363 8.514 1.00 0.00 H new ATOM 0 HB2 ASP A 599 4.941 -7.180 6.245 1.00 0.00 H new ATOM 0 HB3 ASP A 599 6.470 -8.025 6.109 1.00 0.00 H new ATOM 1027 N SER A 600 7.080 -4.517 7.704 1.00 0.00 N ATOM 1028 CA SER A 600 7.778 -3.388 7.113 1.00 0.00 C ATOM 1029 C SER A 600 9.262 -3.721 6.944 1.00 0.00 C ATOM 1030 O SER A 600 9.661 -4.301 5.935 1.00 0.00 O ATOM 1031 CB SER A 600 7.611 -2.129 7.965 1.00 0.00 C ATOM 1032 OG SER A 600 8.200 -2.275 9.254 1.00 0.00 O ATOM 0 H SER A 600 6.608 -4.313 8.585 1.00 0.00 H new ATOM 0 HA SER A 600 7.342 -3.191 6.134 1.00 0.00 H new ATOM 0 HB2 SER A 600 8.066 -1.281 7.452 1.00 0.00 H new ATOM 0 HB3 SER A 600 6.550 -1.903 8.075 1.00 0.00 H new ATOM 0 HG SER A 600 8.729 -1.477 9.464 1.00 0.00 H new ATOM 1038 N ASN A 601 10.039 -3.340 7.947 1.00 0.00 N ATOM 1039 CA ASN A 601 11.470 -3.590 7.922 1.00 0.00 C ATOM 1040 C ASN A 601 12.120 -2.938 9.144 1.00 0.00 C ATOM 1041 O ASN A 601 13.213 -2.383 9.048 1.00 0.00 O ATOM 1042 CB ASN A 601 12.113 -2.991 6.669 1.00 0.00 C ATOM 1043 CG ASN A 601 13.090 -3.979 6.028 1.00 0.00 C ATOM 1044 OD1 ASN A 601 13.232 -5.114 6.451 1.00 0.00 O ATOM 1045 ND2 ASN A 601 13.754 -3.484 4.988 1.00 0.00 N ATOM 0 H ASN A 601 9.705 -2.860 8.782 1.00 0.00 H new ATOM 0 HA ASN A 601 11.623 -4.669 7.925 1.00 0.00 H new ATOM 0 HB2 ASN A 601 11.338 -2.723 5.951 1.00 0.00 H new ATOM 0 HB3 ASN A 601 12.638 -2.072 6.929 1.00 0.00 H new ATOM 0 HD21 ASN A 601 14.431 -4.064 4.492 1.00 0.00 H new ATOM 0 HD22 ASN A 601 13.587 -2.524 4.686 1.00 0.00 H new ATOM 1052 N ASN A 602 11.418 -3.027 10.265 1.00 0.00 N ATOM 1053 CA ASN A 602 11.913 -2.452 11.504 1.00 0.00 C ATOM 1054 C ASN A 602 11.691 -0.938 11.483 1.00 0.00 C ATOM 1055 O ASN A 602 11.074 -0.385 12.392 1.00 0.00 O ATOM 1056 CB ASN A 602 13.412 -2.708 11.671 1.00 0.00 C ATOM 1057 CG ASN A 602 13.798 -2.759 13.151 1.00 0.00 C ATOM 1058 OD1 ASN A 602 12.988 -3.031 14.021 1.00 0.00 O ATOM 1059 ND2 ASN A 602 15.078 -2.484 13.385 1.00 0.00 N ATOM 0 H ASN A 602 10.511 -3.488 10.341 1.00 0.00 H new ATOM 0 HA ASN A 602 11.374 -2.917 12.330 1.00 0.00 H new ATOM 0 HB2 ASN A 602 13.680 -3.648 11.189 1.00 0.00 H new ATOM 0 HB3 ASN A 602 13.977 -1.921 11.171 1.00 0.00 H new ATOM 0 HD21 ASN A 602 15.435 -2.493 14.340 1.00 0.00 H new ATOM 0 HD22 ASN A 602 15.703 -2.264 12.609 1.00 0.00 H new ATOM 1066 N THR A 603 12.208 -0.311 10.436 1.00 0.00 N ATOM 1067 CA THR A 603 12.075 1.128 10.285 1.00 0.00 C ATOM 1068 C THR A 603 12.677 1.582 8.954 1.00 0.00 C ATOM 1069 O THR A 603 13.379 2.591 8.898 1.00 0.00 O ATOM 1070 CB THR A 603 12.720 1.793 11.502 1.00 0.00 C ATOM 1071 OG1 THR A 603 13.548 0.774 12.056 1.00 0.00 O ATOM 1072 CG2 THR A 603 11.709 2.094 12.610 1.00 0.00 C ATOM 0 H THR A 603 12.720 -0.773 9.684 1.00 0.00 H new ATOM 0 HA THR A 603 11.027 1.427 10.251 1.00 0.00 H new ATOM 0 HB THR A 603 13.207 2.718 11.194 1.00 0.00 H new ATOM 0 HG1 THR A 603 14.006 1.120 12.850 1.00 0.00 H new ATOM 0 HG21 THR A 603 12.219 2.565 13.450 1.00 0.00 H new ATOM 0 HG22 THR A 603 10.941 2.766 12.229 1.00 0.00 H new ATOM 0 HG23 THR A 603 11.246 1.165 12.942 1.00 0.00 H new ATOM 1080 N LYS A 604 12.380 0.816 7.915 1.00 0.00 N ATOM 1081 CA LYS A 604 12.883 1.127 6.588 1.00 0.00 C ATOM 1082 C LYS A 604 11.856 0.687 5.542 1.00 0.00 C ATOM 1083 O LYS A 604 12.173 -0.095 4.647 1.00 0.00 O ATOM 1084 CB LYS A 604 14.270 0.514 6.383 1.00 0.00 C ATOM 1085 CG LYS A 604 15.258 1.558 5.859 1.00 0.00 C ATOM 1086 CD LYS A 604 15.173 1.678 4.336 1.00 0.00 C ATOM 1087 CE LYS A 604 16.565 1.819 3.718 1.00 0.00 C ATOM 1088 NZ LYS A 604 17.011 0.529 3.145 1.00 0.00 N ATOM 0 H LYS A 604 11.797 -0.020 7.965 1.00 0.00 H new ATOM 0 HA LYS A 604 13.015 2.203 6.474 1.00 0.00 H new ATOM 0 HB2 LYS A 604 14.634 0.105 7.325 1.00 0.00 H new ATOM 0 HB3 LYS A 604 14.205 -0.316 5.679 1.00 0.00 H new ATOM 0 HG2 LYS A 604 15.047 2.525 6.316 1.00 0.00 H new ATOM 0 HG3 LYS A 604 16.272 1.283 6.150 1.00 0.00 H new ATOM 0 HD2 LYS A 604 14.677 0.799 3.926 1.00 0.00 H new ATOM 0 HD3 LYS A 604 14.564 2.542 4.069 1.00 0.00 H new ATOM 0 HE2 LYS A 604 16.548 2.583 2.940 1.00 0.00 H new ATOM 0 HE3 LYS A 604 17.274 2.151 4.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 17.958 0.642 2.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 17.046 -0.190 3.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 16.343 0.227 2.407 1.00 0.00 H new ATOM 1101 N ASN A 605 10.648 1.210 5.689 1.00 0.00 N ATOM 1102 CA ASN A 605 9.573 0.881 4.768 1.00 0.00 C ATOM 1103 C ASN A 605 10.002 1.233 3.343 1.00 0.00 C ATOM 1104 O ASN A 605 11.192 1.383 3.069 1.00 0.00 O ATOM 1105 CB ASN A 605 8.308 1.678 5.092 1.00 0.00 C ATOM 1106 CG ASN A 605 8.052 1.713 6.600 1.00 0.00 C ATOM 1107 OD1 ASN A 605 7.396 0.853 7.164 1.00 0.00 O ATOM 1108 ND2 ASN A 605 8.605 2.752 7.218 1.00 0.00 N ATOM 0 H ASN A 605 10.389 1.859 6.432 1.00 0.00 H new ATOM 0 HA ASN A 605 9.362 -0.184 4.862 1.00 0.00 H new ATOM 0 HB2 ASN A 605 8.408 2.695 4.713 1.00 0.00 H new ATOM 0 HB3 ASN A 605 7.453 1.231 4.585 1.00 0.00 H new ATOM 0 HD21 ASN A 605 8.492 2.865 8.225 1.00 0.00 H new ATOM 0 HD22 ASN A 605 9.142 3.436 6.685 1.00 0.00 H new ATOM 1115 N TYR A 606 9.010 1.356 2.473 1.00 0.00 N ATOM 1116 CA TYR A 606 9.271 1.688 1.083 1.00 0.00 C ATOM 1117 C TYR A 606 8.429 2.886 0.638 1.00 0.00 C ATOM 1118 O TYR A 606 7.248 2.976 0.970 1.00 0.00 O ATOM 1119 CB TYR A 606 8.857 0.459 0.271 1.00 0.00 C ATOM 1120 CG TYR A 606 9.636 -0.810 0.623 1.00 0.00 C ATOM 1121 CD1 TYR A 606 10.814 -1.101 -0.034 1.00 0.00 C ATOM 1122 CD2 TYR A 606 9.160 -1.664 1.597 1.00 0.00 C ATOM 1123 CE1 TYR A 606 11.547 -2.295 0.296 1.00 0.00 C ATOM 1124 CE2 TYR A 606 9.893 -2.859 1.927 1.00 0.00 C ATOM 1125 CZ TYR A 606 11.050 -3.115 1.261 1.00 0.00 C ATOM 1126 OH TYR A 606 11.742 -4.244 1.573 1.00 0.00 O ATOM 0 H TYR A 606 8.024 1.232 2.704 1.00 0.00 H new ATOM 0 HA TYR A 606 10.320 1.949 0.941 1.00 0.00 H new ATOM 0 HB2 TYR A 606 7.794 0.275 0.426 1.00 0.00 H new ATOM 0 HB3 TYR A 606 8.992 0.674 -0.789 1.00 0.00 H new ATOM 0 HD1 TYR A 606 11.186 -0.433 -0.796 1.00 0.00 H new ATOM 0 HD2 TYR A 606 8.238 -1.436 2.112 1.00 0.00 H new ATOM 0 HE1 TYR A 606 12.470 -2.534 -0.211 1.00 0.00 H new ATOM 0 HE2 TYR A 606 9.532 -3.536 2.686 1.00 0.00 H new ATOM 0 HH TYR A 606 11.356 -5.007 1.094 1.00 0.00 H new ATOM 1136 N LEU A 607 9.069 3.775 -0.106 1.00 0.00 N ATOM 1137 CA LEU A 607 8.394 4.963 -0.600 1.00 0.00 C ATOM 1138 C LEU A 607 7.978 4.741 -2.055 1.00 0.00 C ATOM 1139 O LEU A 607 8.806 4.390 -2.894 1.00 0.00 O ATOM 1140 CB LEU A 607 9.269 6.201 -0.392 1.00 0.00 C ATOM 1141 CG LEU A 607 9.745 6.454 1.039 1.00 0.00 C ATOM 1142 CD1 LEU A 607 11.114 5.816 1.282 1.00 0.00 C ATOM 1143 CD2 LEU A 607 9.744 7.950 1.362 1.00 0.00 C ATOM 0 H LEU A 607 10.049 3.697 -0.379 1.00 0.00 H new ATOM 0 HA LEU A 607 7.482 5.147 -0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 607 10.145 6.114 -1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 607 8.712 7.076 -0.728 1.00 0.00 H new ATOM 0 HG LEU A 607 9.042 5.977 1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 607 11.429 6.011 2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 607 11.048 4.740 1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 607 11.842 6.242 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 607 10.087 8.101 2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 607 10.411 8.471 0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 607 8.733 8.345 1.256 1.00 0.00 H new ATOM 1155 N PHE A 608 6.696 4.954 -2.310 1.00 0.00 N ATOM 1156 CA PHE A 608 6.160 4.781 -3.649 1.00 0.00 C ATOM 1157 C PHE A 608 5.510 6.072 -4.151 1.00 0.00 C ATOM 1158 O PHE A 608 4.936 6.827 -3.368 1.00 0.00 O ATOM 1159 CB PHE A 608 5.094 3.686 -3.567 1.00 0.00 C ATOM 1160 CG PHE A 608 5.298 2.705 -2.410 1.00 0.00 C ATOM 1161 CD1 PHE A 608 6.262 1.750 -2.491 1.00 0.00 C ATOM 1162 CD2 PHE A 608 4.514 2.789 -1.302 1.00 0.00 C ATOM 1163 CE1 PHE A 608 6.451 0.839 -1.418 1.00 0.00 C ATOM 1164 CE2 PHE A 608 4.703 1.879 -0.229 1.00 0.00 C ATOM 1165 CZ PHE A 608 5.667 0.923 -0.309 1.00 0.00 C ATOM 0 H PHE A 608 6.012 5.245 -1.611 1.00 0.00 H new ATOM 0 HA PHE A 608 6.962 4.517 -4.339 1.00 0.00 H new ATOM 0 HB2 PHE A 608 4.115 4.153 -3.465 1.00 0.00 H new ATOM 0 HB3 PHE A 608 5.086 3.130 -4.504 1.00 0.00 H new ATOM 0 HD1 PHE A 608 6.884 1.684 -3.371 1.00 0.00 H new ATOM 0 HD2 PHE A 608 3.748 3.548 -1.238 1.00 0.00 H new ATOM 0 HE1 PHE A 608 7.217 0.080 -1.482 1.00 0.00 H new ATOM 0 HE2 PHE A 608 4.081 1.946 0.651 1.00 0.00 H new ATOM 0 HZ PHE A 608 5.810 0.231 0.507 1.00 0.00 H new ATOM 1175 N SER A 609 5.622 6.286 -5.454 1.00 0.00 N ATOM 1176 CA SER A 609 5.052 7.473 -6.069 1.00 0.00 C ATOM 1177 C SER A 609 3.748 7.116 -6.785 1.00 0.00 C ATOM 1178 O SER A 609 3.455 5.941 -6.999 1.00 0.00 O ATOM 1179 CB SER A 609 6.038 8.112 -7.049 1.00 0.00 C ATOM 1180 OG SER A 609 5.579 9.377 -7.518 1.00 0.00 O ATOM 0 H SER A 609 6.099 5.658 -6.101 1.00 0.00 H new ATOM 0 HA SER A 609 4.841 8.198 -5.283 1.00 0.00 H new ATOM 0 HB2 SER A 609 7.005 8.235 -6.562 1.00 0.00 H new ATOM 0 HB3 SER A 609 6.191 7.444 -7.897 1.00 0.00 H new ATOM 0 HG SER A 609 5.779 10.066 -6.850 1.00 0.00 H new ATOM 1186 N THR A 610 3.000 8.153 -7.134 1.00 0.00 N ATOM 1187 CA THR A 610 1.734 7.964 -7.821 1.00 0.00 C ATOM 1188 C THR A 610 1.934 7.130 -9.089 1.00 0.00 C ATOM 1189 O THR A 610 3.057 6.987 -9.571 1.00 0.00 O ATOM 1190 CB THR A 610 1.131 9.344 -8.091 1.00 0.00 C ATOM 1191 OG1 THR A 610 2.142 10.026 -8.827 1.00 0.00 O ATOM 1192 CG2 THR A 610 0.976 10.174 -6.815 1.00 0.00 C ATOM 0 H THR A 610 3.247 9.126 -6.954 1.00 0.00 H new ATOM 0 HA THR A 610 1.032 7.401 -7.206 1.00 0.00 H new ATOM 0 HB THR A 610 0.159 9.228 -8.570 1.00 0.00 H new ATOM 0 HG1 THR A 610 1.834 10.930 -9.046 1.00 0.00 H new ATOM 0 HG21 THR A 610 0.544 11.144 -7.062 1.00 0.00 H new ATOM 0 HG22 THR A 610 0.320 9.651 -6.118 1.00 0.00 H new ATOM 0 HG23 THR A 610 1.953 10.319 -6.354 1.00 0.00 H new ATOM 1200 N GLY A 611 0.828 6.603 -9.593 1.00 0.00 N ATOM 1201 CA GLY A 611 0.868 5.788 -10.795 1.00 0.00 C ATOM 1202 C GLY A 611 0.331 4.382 -10.522 1.00 0.00 C ATOM 1203 O GLY A 611 -0.703 4.222 -9.877 1.00 0.00 O ATOM 0 H GLY A 611 -0.101 6.725 -9.191 1.00 0.00 H new ATOM 0 HA2 GLY A 611 0.277 6.261 -11.579 1.00 0.00 H new ATOM 0 HA3 GLY A 611 1.892 5.725 -11.162 1.00 0.00 H new ATOM 1207 N THR A 612 1.060 3.397 -11.028 1.00 0.00 N ATOM 1208 CA THR A 612 0.670 2.009 -10.846 1.00 0.00 C ATOM 1209 C THR A 612 1.807 1.216 -10.199 1.00 0.00 C ATOM 1210 O THR A 612 2.922 1.187 -10.717 1.00 0.00 O ATOM 1211 CB THR A 612 0.242 1.456 -12.207 1.00 0.00 C ATOM 1212 OG1 THR A 612 -0.467 2.534 -12.812 1.00 0.00 O ATOM 1213 CG2 THR A 612 -0.802 0.344 -12.086 1.00 0.00 C ATOM 0 H THR A 612 1.918 3.533 -11.563 1.00 0.00 H new ATOM 0 HA THR A 612 -0.175 1.922 -10.163 1.00 0.00 H new ATOM 0 HB THR A 612 1.116 1.076 -12.735 1.00 0.00 H new ATOM 0 HG1 THR A 612 -0.780 2.262 -13.700 1.00 0.00 H new ATOM 0 HG21 THR A 612 -1.071 -0.013 -13.080 1.00 0.00 H new ATOM 0 HG22 THR A 612 -0.390 -0.480 -11.504 1.00 0.00 H new ATOM 0 HG23 THR A 612 -1.690 0.732 -11.587 1.00 0.00 H new ATOM 1221 N SER A 613 1.485 0.592 -9.075 1.00 0.00 N ATOM 1222 CA SER A 613 2.466 -0.200 -8.352 1.00 0.00 C ATOM 1223 C SER A 613 1.822 -1.488 -7.837 1.00 0.00 C ATOM 1224 O SER A 613 0.603 -1.560 -7.685 1.00 0.00 O ATOM 1225 CB SER A 613 3.065 0.595 -7.189 1.00 0.00 C ATOM 1226 OG SER A 613 3.497 1.891 -7.595 1.00 0.00 O ATOM 0 H SER A 613 0.559 0.619 -8.648 1.00 0.00 H new ATOM 0 HA SER A 613 3.274 -0.454 -9.038 1.00 0.00 H new ATOM 0 HB2 SER A 613 2.323 0.692 -6.396 1.00 0.00 H new ATOM 0 HB3 SER A 613 3.909 0.046 -6.771 1.00 0.00 H new ATOM 0 HG SER A 613 3.872 2.367 -6.825 1.00 0.00 H new ATOM 1232 N THR A 614 2.669 -2.475 -7.583 1.00 0.00 N ATOM 1233 CA THR A 614 2.197 -3.758 -7.089 1.00 0.00 C ATOM 1234 C THR A 614 3.056 -4.224 -5.912 1.00 0.00 C ATOM 1235 O THR A 614 4.278 -4.315 -6.028 1.00 0.00 O ATOM 1236 CB THR A 614 2.186 -4.741 -8.261 1.00 0.00 C ATOM 1237 OG1 THR A 614 1.431 -4.073 -9.268 1.00 0.00 O ATOM 1238 CG2 THR A 614 1.373 -6.002 -7.960 1.00 0.00 C ATOM 0 H THR A 614 3.679 -2.412 -7.710 1.00 0.00 H new ATOM 0 HA THR A 614 1.181 -3.683 -6.700 1.00 0.00 H new ATOM 0 HB THR A 614 3.210 -5.020 -8.510 1.00 0.00 H new ATOM 0 HG1 THR A 614 1.375 -4.640 -10.065 1.00 0.00 H new ATOM 0 HG21 THR A 614 1.398 -6.666 -8.824 1.00 0.00 H new ATOM 0 HG22 THR A 614 1.800 -6.513 -7.097 1.00 0.00 H new ATOM 0 HG23 THR A 614 0.341 -5.726 -7.744 1.00 0.00 H new ATOM 1246 N TYR A 615 2.384 -4.508 -4.806 1.00 0.00 N ATOM 1247 CA TYR A 615 3.071 -4.963 -3.609 1.00 0.00 C ATOM 1248 C TYR A 615 3.032 -6.489 -3.501 1.00 0.00 C ATOM 1249 O TYR A 615 1.957 -7.085 -3.459 1.00 0.00 O ATOM 1250 CB TYR A 615 2.306 -4.361 -2.429 1.00 0.00 C ATOM 1251 CG TYR A 615 3.198 -3.670 -1.396 1.00 0.00 C ATOM 1252 CD1 TYR A 615 4.507 -4.077 -1.233 1.00 0.00 C ATOM 1253 CD2 TYR A 615 2.695 -2.640 -0.628 1.00 0.00 C ATOM 1254 CE1 TYR A 615 5.347 -3.427 -0.261 1.00 0.00 C ATOM 1255 CE2 TYR A 615 3.535 -1.990 0.344 1.00 0.00 C ATOM 1256 CZ TYR A 615 4.820 -2.415 0.480 1.00 0.00 C ATOM 1257 OH TYR A 615 5.613 -1.801 1.398 1.00 0.00 O ATOM 0 H TYR A 615 1.371 -4.432 -4.714 1.00 0.00 H new ATOM 0 HA TYR A 615 4.117 -4.658 -3.628 1.00 0.00 H new ATOM 0 HB2 TYR A 615 1.582 -3.640 -2.809 1.00 0.00 H new ATOM 0 HB3 TYR A 615 1.740 -5.151 -1.935 1.00 0.00 H new ATOM 0 HD1 TYR A 615 4.901 -4.883 -1.835 1.00 0.00 H new ATOM 0 HD2 TYR A 615 1.671 -2.321 -0.756 1.00 0.00 H new ATOM 0 HE1 TYR A 615 6.373 -3.736 -0.123 1.00 0.00 H new ATOM 0 HE2 TYR A 615 3.153 -1.183 0.952 1.00 0.00 H new ATOM 0 HH TYR A 615 5.068 -1.209 1.957 1.00 0.00 H new ATOM 1267 N THR A 616 4.218 -7.078 -3.460 1.00 0.00 N ATOM 1268 CA THR A 616 4.334 -8.523 -3.358 1.00 0.00 C ATOM 1269 C THR A 616 5.026 -8.911 -2.051 1.00 0.00 C ATOM 1270 O THR A 616 6.183 -8.556 -1.827 1.00 0.00 O ATOM 1271 CB THR A 616 5.061 -9.028 -4.605 1.00 0.00 C ATOM 1272 OG1 THR A 616 4.122 -8.832 -5.659 1.00 0.00 O ATOM 1273 CG2 THR A 616 5.283 -10.542 -4.581 1.00 0.00 C ATOM 0 H THR A 616 5.108 -6.580 -3.496 1.00 0.00 H new ATOM 0 HA THR A 616 3.353 -8.997 -3.322 1.00 0.00 H new ATOM 0 HB THR A 616 6.022 -8.521 -4.694 1.00 0.00 H new ATOM 0 HG1 THR A 616 4.513 -9.132 -6.506 1.00 0.00 H new ATOM 0 HG21 THR A 616 5.803 -10.848 -5.489 1.00 0.00 H new ATOM 0 HG22 THR A 616 5.884 -10.808 -3.712 1.00 0.00 H new ATOM 0 HG23 THR A 616 4.320 -11.050 -4.525 1.00 0.00 H new ATOM 1281 N PRO A 617 4.271 -9.655 -1.199 1.00 0.00 N ATOM 1282 CA PRO A 617 4.800 -10.096 0.080 1.00 0.00 C ATOM 1283 C PRO A 617 5.789 -11.249 -0.104 1.00 0.00 C ATOM 1284 O PRO A 617 6.297 -11.466 -1.203 1.00 0.00 O ATOM 1285 CB PRO A 617 3.580 -10.486 0.898 1.00 0.00 C ATOM 1286 CG PRO A 617 2.455 -10.690 -0.104 1.00 0.00 C ATOM 1287 CD PRO A 617 2.898 -10.094 -1.430 1.00 0.00 C ATOM 0 HA PRO A 617 5.372 -9.320 0.588 1.00 0.00 H new ATOM 0 HB2 PRO A 617 3.766 -11.397 1.467 1.00 0.00 H new ATOM 0 HB3 PRO A 617 3.326 -9.707 1.617 1.00 0.00 H new ATOM 0 HG2 PRO A 617 2.233 -11.751 -0.218 1.00 0.00 H new ATOM 0 HG3 PRO A 617 1.541 -10.209 0.245 1.00 0.00 H new ATOM 0 HD2 PRO A 617 2.847 -10.831 -2.232 1.00 0.00 H new ATOM 0 HD3 PRO A 617 2.260 -9.260 -1.722 1.00 0.00 H new ATOM 1295 N GLY A 618 6.032 -11.958 0.989 1.00 0.00 N ATOM 1296 CA GLY A 618 6.951 -13.083 0.962 1.00 0.00 C ATOM 1297 C GLY A 618 6.414 -14.250 1.792 1.00 0.00 C ATOM 1298 O GLY A 618 5.295 -14.192 2.299 1.00 0.00 O ATOM 0 H GLY A 618 5.608 -11.775 1.899 1.00 0.00 H new ATOM 0 HA2 GLY A 618 7.106 -13.406 -0.068 1.00 0.00 H new ATOM 0 HA3 GLY A 618 7.922 -12.773 1.349 1.00 0.00 H new ATOM 1302 N SER A 619 7.237 -15.283 1.906 1.00 0.00 N ATOM 1303 CA SER A 619 6.858 -16.461 2.666 1.00 0.00 C ATOM 1304 C SER A 619 6.767 -16.118 4.154 1.00 0.00 C ATOM 1305 O SER A 619 7.788 -15.962 4.822 1.00 0.00 O ATOM 1306 CB SER A 619 7.853 -17.603 2.445 1.00 0.00 C ATOM 1307 OG SER A 619 7.218 -18.878 2.476 1.00 0.00 O ATOM 0 H SER A 619 8.165 -15.328 1.484 1.00 0.00 H new ATOM 0 HA SER A 619 5.881 -16.793 2.316 1.00 0.00 H new ATOM 0 HB2 SER A 619 8.351 -17.469 1.485 1.00 0.00 H new ATOM 0 HB3 SER A 619 8.626 -17.564 3.213 1.00 0.00 H new ATOM 0 HG SER A 619 7.886 -19.580 2.329 1.00 0.00 H new ATOM 1313 N ASN A 620 5.535 -16.009 4.630 1.00 0.00 N ATOM 1314 CA ASN A 620 5.298 -15.686 6.027 1.00 0.00 C ATOM 1315 C ASN A 620 5.865 -14.298 6.328 1.00 0.00 C ATOM 1316 O ASN A 620 6.857 -14.170 7.045 1.00 0.00 O ATOM 1317 CB ASN A 620 5.992 -16.691 6.949 1.00 0.00 C ATOM 1318 CG ASN A 620 5.026 -17.795 7.382 1.00 0.00 C ATOM 1319 OD1 ASN A 620 4.363 -17.711 8.403 1.00 0.00 O ATOM 1320 ND2 ASN A 620 4.983 -18.832 6.551 1.00 0.00 N ATOM 0 H ASN A 620 4.690 -16.139 4.073 1.00 0.00 H new ATOM 0 HA ASN A 620 4.223 -15.717 6.203 1.00 0.00 H new ATOM 0 HB2 ASN A 620 6.847 -17.131 6.435 1.00 0.00 H new ATOM 0 HB3 ASN A 620 6.379 -16.176 7.828 1.00 0.00 H new ATOM 0 HD21 ASN A 620 4.368 -19.621 6.751 1.00 0.00 H new ATOM 0 HD22 ASN A 620 5.565 -18.839 5.713 1.00 0.00 H new ATOM 1327 N GLY A 621 5.211 -13.292 5.766 1.00 0.00 N ATOM 1328 CA GLY A 621 5.638 -11.917 5.966 1.00 0.00 C ATOM 1329 C GLY A 621 7.164 -11.816 5.997 1.00 0.00 C ATOM 1330 O GLY A 621 7.733 -11.245 6.927 1.00 0.00 O ATOM 0 H GLY A 621 4.389 -13.401 5.172 1.00 0.00 H new ATOM 0 HA2 GLY A 621 5.245 -11.290 5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 621 5.226 -11.537 6.901 1.00 0.00 H new ATOM 1334 N ALA A 622 7.784 -12.379 4.971 1.00 0.00 N ATOM 1335 CA ALA A 622 9.234 -12.359 4.870 1.00 0.00 C ATOM 1336 C ALA A 622 9.645 -11.509 3.666 1.00 0.00 C ATOM 1337 O ALA A 622 9.545 -11.955 2.524 1.00 0.00 O ATOM 1338 CB ALA A 622 9.759 -13.793 4.778 1.00 0.00 C ATOM 0 H ALA A 622 7.309 -12.852 4.202 1.00 0.00 H new ATOM 0 HA ALA A 622 9.675 -11.907 5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 622 10.846 -13.778 4.702 1.00 0.00 H new ATOM 0 HB2 ALA A 622 9.465 -14.346 5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 622 9.340 -14.278 3.896 1.00 0.00 H new ATOM 1344 N ALA A 623 10.099 -10.301 3.962 1.00 0.00 N ATOM 1345 CA ALA A 623 10.526 -9.384 2.918 1.00 0.00 C ATOM 1346 C ALA A 623 9.294 -8.774 2.247 1.00 0.00 C ATOM 1347 O ALA A 623 8.164 -9.154 2.551 1.00 0.00 O ATOM 1348 CB ALA A 623 11.424 -10.125 1.925 1.00 0.00 C ATOM 0 H ALA A 623 10.181 -9.935 4.910 1.00 0.00 H new ATOM 0 HA ALA A 623 11.111 -8.566 3.340 1.00 0.00 H new ATOM 0 HB1 ALA A 623 11.745 -9.438 1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 623 12.298 -10.515 2.446 1.00 0.00 H new ATOM 0 HB3 ALA A 623 10.869 -10.951 1.479 1.00 0.00 H new ATOM 1354 N GLY A 624 9.554 -7.837 1.346 1.00 0.00 N ATOM 1355 CA GLY A 624 8.480 -7.170 0.629 1.00 0.00 C ATOM 1356 C GLY A 624 9.034 -6.302 -0.502 1.00 0.00 C ATOM 1357 O GLY A 624 9.868 -5.428 -0.269 1.00 0.00 O ATOM 0 H GLY A 624 10.492 -7.524 1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 624 7.794 -7.912 0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 624 7.906 -6.552 1.319 1.00 0.00 H new ATOM 1361 N THR A 625 8.547 -6.573 -1.705 1.00 0.00 N ATOM 1362 CA THR A 625 8.982 -5.827 -2.873 1.00 0.00 C ATOM 1363 C THR A 625 7.776 -5.252 -3.619 1.00 0.00 C ATOM 1364 O THR A 625 6.690 -5.828 -3.586 1.00 0.00 O ATOM 1365 CB THR A 625 9.842 -6.756 -3.733 1.00 0.00 C ATOM 1366 OG1 THR A 625 8.972 -7.837 -4.053 1.00 0.00 O ATOM 1367 CG2 THR A 625 10.973 -7.411 -2.937 1.00 0.00 C ATOM 0 H THR A 625 7.856 -7.299 -1.895 1.00 0.00 H new ATOM 0 HA THR A 625 9.589 -4.967 -2.590 1.00 0.00 H new ATOM 0 HB THR A 625 10.263 -6.193 -4.566 1.00 0.00 H new ATOM 0 HG1 THR A 625 9.449 -8.486 -4.611 1.00 0.00 H new ATOM 0 HG21 THR A 625 11.552 -8.060 -3.594 1.00 0.00 H new ATOM 0 HG22 THR A 625 11.623 -6.639 -2.525 1.00 0.00 H new ATOM 0 HG23 THR A 625 10.551 -8.002 -2.124 1.00 0.00 H new ATOM 1375 N ILE A 626 8.009 -4.124 -4.274 1.00 0.00 N ATOM 1376 CA ILE A 626 6.955 -3.465 -5.027 1.00 0.00 C ATOM 1377 C ILE A 626 7.387 -3.328 -6.488 1.00 0.00 C ATOM 1378 O ILE A 626 8.489 -2.861 -6.772 1.00 0.00 O ATOM 1379 CB ILE A 626 6.578 -2.136 -4.369 1.00 0.00 C ATOM 1380 CG1 ILE A 626 7.074 -2.079 -2.923 1.00 0.00 C ATOM 1381 CG2 ILE A 626 5.073 -1.882 -4.470 1.00 0.00 C ATOM 1382 CD1 ILE A 626 8.451 -1.419 -2.841 1.00 0.00 C ATOM 0 H ILE A 626 8.912 -3.650 -4.299 1.00 0.00 H new ATOM 0 HA ILE A 626 6.047 -4.067 -5.019 1.00 0.00 H new ATOM 0 HB ILE A 626 7.077 -1.333 -4.911 1.00 0.00 H new ATOM 0 HG12 ILE A 626 6.363 -1.522 -2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 626 7.125 -3.087 -2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 626 4.832 -0.931 -3.995 1.00 0.00 H new ATOM 0 HG22 ILE A 626 4.779 -1.848 -5.519 1.00 0.00 H new ATOM 0 HG23 ILE A 626 4.534 -2.686 -3.968 1.00 0.00 H new ATOM 0 HD11 ILE A 626 8.780 -1.391 -1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 626 9.165 -1.992 -3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 626 8.391 -0.402 -3.230 1.00 0.00 H new ATOM 1394 N ARG A 627 6.497 -3.744 -7.376 1.00 0.00 N ATOM 1395 CA ARG A 627 6.772 -3.674 -8.801 1.00 0.00 C ATOM 1396 C ARG A 627 5.834 -2.670 -9.474 1.00 0.00 C ATOM 1397 O ARG A 627 4.615 -2.768 -9.342 1.00 0.00 O ATOM 1398 CB ARG A 627 6.602 -5.042 -9.463 1.00 0.00 C ATOM 1399 CG ARG A 627 7.595 -5.222 -10.614 1.00 0.00 C ATOM 1400 CD ARG A 627 6.882 -5.177 -11.966 1.00 0.00 C ATOM 1401 NE ARG A 627 7.512 -6.134 -12.903 1.00 0.00 N ATOM 1402 CZ ARG A 627 7.027 -6.424 -14.129 1.00 0.00 C ATOM 1403 NH1 ARG A 627 5.899 -5.832 -14.577 1.00 0.00 N ATOM 1404 NH2 ARG A 627 7.671 -7.295 -14.883 1.00 0.00 N ATOM 0 H ARG A 627 5.584 -4.131 -7.136 1.00 0.00 H new ATOM 0 HA ARG A 627 7.805 -3.350 -8.923 1.00 0.00 H new ATOM 0 HB2 ARG A 627 6.751 -5.829 -8.723 1.00 0.00 H new ATOM 0 HB3 ARG A 627 5.583 -5.145 -9.837 1.00 0.00 H new ATOM 0 HG2 ARG A 627 8.352 -4.439 -10.572 1.00 0.00 H new ATOM 0 HG3 ARG A 627 8.115 -6.174 -10.505 1.00 0.00 H new ATOM 0 HD2 ARG A 627 5.827 -5.421 -11.838 1.00 0.00 H new ATOM 0 HD3 ARG A 627 6.928 -4.169 -12.377 1.00 0.00 H new ATOM 0 HE ARG A 627 8.366 -6.604 -12.604 1.00 0.00 H new ATOM 0 HH11 ARG A 627 5.407 -5.160 -13.988 1.00 0.00 H new ATOM 0 HH12 ARG A 627 5.539 -6.057 -15.505 1.00 0.00 H new ATOM 0 HH21 ARG A 627 8.522 -7.738 -14.537 1.00 0.00 H new ATOM 0 HH22 ARG A 627 7.318 -7.525 -15.812 1.00 0.00 H new ATOM 1417 N THR A 628 6.438 -1.726 -10.181 1.00 0.00 N ATOM 1418 CA THR A 628 5.672 -0.705 -10.875 1.00 0.00 C ATOM 1419 C THR A 628 5.023 -1.287 -12.133 1.00 0.00 C ATOM 1420 O THR A 628 5.590 -2.169 -12.776 1.00 0.00 O ATOM 1421 CB THR A 628 6.606 0.473 -11.163 1.00 0.00 C ATOM 1422 OG1 THR A 628 7.817 0.126 -10.497 1.00 0.00 O ATOM 1423 CG2 THR A 628 6.155 1.760 -10.470 1.00 0.00 C ATOM 0 H THR A 628 7.449 -1.647 -10.288 1.00 0.00 H new ATOM 0 HA THR A 628 4.848 -0.343 -10.260 1.00 0.00 H new ATOM 0 HB THR A 628 6.660 0.640 -12.239 1.00 0.00 H new ATOM 0 HG1 THR A 628 8.480 0.835 -10.633 1.00 0.00 H new ATOM 0 HG21 THR A 628 6.852 2.564 -10.707 1.00 0.00 H new ATOM 0 HG22 THR A 628 5.158 2.030 -10.817 1.00 0.00 H new ATOM 0 HG23 THR A 628 6.134 1.604 -9.391 1.00 0.00 H new ATOM 1431 N GLY A 629 3.844 -0.770 -12.445 1.00 0.00 N ATOM 1432 CA GLY A 629 3.112 -1.227 -13.614 1.00 0.00 C ATOM 1433 C GLY A 629 1.813 -1.925 -13.209 1.00 0.00 C ATOM 1434 O GLY A 629 1.768 -2.623 -12.197 1.00 0.00 O ATOM 0 H GLY A 629 3.377 -0.039 -11.908 1.00 0.00 H new ATOM 0 HA2 GLY A 629 2.887 -0.379 -14.261 1.00 0.00 H new ATOM 0 HA3 GLY A 629 3.733 -1.912 -14.191 1.00 0.00 H new ATOM 1438 N ALA A 630 0.787 -1.713 -14.019 1.00 0.00 N ATOM 1439 CA ALA A 630 -0.510 -2.313 -13.758 1.00 0.00 C ATOM 1440 C ALA A 630 -0.367 -3.836 -13.733 1.00 0.00 C ATOM 1441 O ALA A 630 0.264 -4.418 -14.613 1.00 0.00 O ATOM 1442 CB ALA A 630 -1.514 -1.840 -14.811 1.00 0.00 C ATOM 0 H ALA A 630 0.828 -1.133 -14.857 1.00 0.00 H new ATOM 0 HA ALA A 630 -0.887 -2.001 -12.784 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -2.487 -2.291 -14.614 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -1.602 -0.754 -14.768 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -1.170 -2.138 -15.801 1.00 0.00 H new ATOM 1448 N PRO A 631 -0.979 -4.454 -12.687 1.00 0.00 N ATOM 1449 CA PRO A 631 -0.926 -5.898 -12.535 1.00 0.00 C ATOM 1450 C PRO A 631 -1.858 -6.588 -13.534 1.00 0.00 C ATOM 1451 O PRO A 631 -2.526 -5.926 -14.325 1.00 0.00 O ATOM 1452 CB PRO A 631 -1.310 -6.156 -11.088 1.00 0.00 C ATOM 1453 CG PRO A 631 -2.012 -4.894 -10.611 1.00 0.00 C ATOM 1454 CD PRO A 631 -1.735 -3.796 -11.625 1.00 0.00 C ATOM 0 HA PRO A 631 0.061 -6.308 -12.749 1.00 0.00 H new ATOM 0 HB2 PRO A 631 -1.966 -7.022 -11.007 1.00 0.00 H new ATOM 0 HB3 PRO A 631 -0.429 -6.366 -10.482 1.00 0.00 H new ATOM 0 HG2 PRO A 631 -3.084 -5.066 -10.517 1.00 0.00 H new ATOM 0 HG3 PRO A 631 -1.648 -4.604 -9.625 1.00 0.00 H new ATOM 0 HD2 PRO A 631 -2.661 -3.366 -12.006 1.00 0.00 H new ATOM 0 HD3 PRO A 631 -1.165 -2.981 -11.180 1.00 0.00 H new ATOM 1462 N SER A 632 -1.872 -7.911 -13.463 1.00 0.00 N ATOM 1463 CA SER A 632 -2.710 -8.699 -14.351 1.00 0.00 C ATOM 1464 C SER A 632 -4.184 -8.497 -13.995 1.00 0.00 C ATOM 1465 O SER A 632 -4.869 -9.443 -13.609 1.00 0.00 O ATOM 1466 CB SER A 632 -2.346 -10.183 -14.279 1.00 0.00 C ATOM 1467 OG SER A 632 -1.477 -10.572 -15.340 1.00 0.00 O ATOM 0 H SER A 632 -1.317 -8.457 -12.804 1.00 0.00 H new ATOM 0 HA SER A 632 -2.539 -8.360 -15.373 1.00 0.00 H new ATOM 0 HB2 SER A 632 -1.867 -10.393 -13.323 1.00 0.00 H new ATOM 0 HB3 SER A 632 -3.256 -10.782 -14.318 1.00 0.00 H new ATOM 0 HG SER A 632 -1.267 -11.526 -15.258 1.00 0.00 H new ATOM 1473 N GLY A 633 -4.629 -7.257 -14.137 1.00 0.00 N ATOM 1474 CA GLY A 633 -6.009 -6.918 -13.835 1.00 0.00 C ATOM 1475 C GLY A 633 -6.649 -6.142 -14.989 1.00 0.00 C ATOM 1476 O GLY A 633 -6.454 -4.934 -15.112 1.00 0.00 O ATOM 0 H GLY A 633 -4.058 -6.475 -14.457 1.00 0.00 H new ATOM 0 HA2 GLY A 633 -6.577 -7.828 -13.645 1.00 0.00 H new ATOM 0 HA3 GLY A 633 -6.049 -6.321 -12.924 1.00 0.00 H new TER 1480 GLY A 633