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 104:sc= 1.18 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= 0 USER MOD Set 2.2: A 578 THR OG1 : rot 180:sc= 0 USER MOD Single : A 532 THR OG1 : rot 180:sc= 0 USER MOD Single : A 533 THR OG1 : rot -80:sc= -1.7! USER MOD Single : A 534 ASN : amide:sc= -3.92! C(o=-3.9!,f=-4.3!) USER MOD Single : A 535 LYS NZ :NH3+ 148:sc= 0.38 (180deg=0.0592) USER MOD Single : A 539 TYR OH : rot 180:sc= 0 USER MOD Single : A 540 TYR OH : rot 30:sc= -1.93 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= -3.15 X(o=-3.1,f=-3.1!) USER MOD Single : A 546 SER OG : rot 55:sc= 1.24 USER MOD Single : A 548 TYR OH : rot 180:sc= 0 USER MOD Single : A 550 HIS : no HE2:sc= -3.55 X(o=-3.5,f=-3.5) USER MOD Single : A 551 TYR OH : rot 130:sc= -5.26! USER MOD Single : A 557 SER OG : rot 180:sc= 0 USER MOD Single : A 559 THR OG1 : rot 180:sc= 0.0265 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 566 MET CE :methyl -158:sc= -11.3! (180deg=-16.2!) USER MOD Single : A 567 GLN : amide:sc= -0.0312 X(o=-0.031,f=0) USER MOD Single : A 572 SER OG : rot 73:sc= 0.0178 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= 0 X(o=0,f=-0.097) USER MOD Single : A 592 ASN : amide:sc= -0.657 X(o=-0.66,f=-0.29) USER MOD Single : A 595 ASN : amide:sc= -0.0144 X(o=-0.014,f=-0.011) USER MOD Single : A 596 ASN : amide:sc= -1.59 K(o=-1.6,f=-2.3) USER MOD Single : A 597 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 600 SER OG : rot 180:sc= 0.341 USER MOD Single : A 601 ASN : amide:sc= -0.0295 X(o=-0.029,f=-0.076) USER MOD Single : A 602 ASN : amide:sc= -0.146 X(o=-0.15,f=0.011) USER MOD Single : A 603 THR OG1 : rot -52:sc= 0.00093 USER MOD Single : A 604 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0251) USER MOD Single : A 605 ASN : amide:sc= -0.907 X(o=-0.91,f=-0.5) USER MOD Single : A 606 TYR OH : rot 124:sc= 0.00635 USER MOD Single : A 612 THR OG1 : rot 180:sc= 0 USER MOD Single : A 613 SER OG : rot 5:sc= -0.429 USER MOD Single : A 614 THR OG1 : rot 120:sc= -0.971 USER MOD Single : A 615 TYR OH : rot -130:sc= 0.597 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= -1.1 K(o=-1.1,f=-3.2!) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 628 THR OG1 : rot 180:sc= 0.15 USER MOD Single : A 632 SER OG : rot 80:sc= -1.83 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 530 -10.216 17.181 -0.487 1.00 0.00 N ATOM 2 CA GLY A 530 -10.580 16.573 -1.756 1.00 0.00 C ATOM 3 C GLY A 530 -10.010 15.157 -1.869 1.00 0.00 C ATOM 4 O GLY A 530 -9.052 14.813 -1.179 1.00 0.00 O ATOM 0 HA2 GLY A 530 -11.665 16.541 -1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 530 -10.207 17.186 -2.577 1.00 0.00 H new ATOM 8 N GLY A 531 -10.625 14.375 -2.745 1.00 0.00 N ATOM 9 CA GLY A 531 -10.191 13.005 -2.957 1.00 0.00 C ATOM 10 C GLY A 531 -9.981 12.720 -4.445 1.00 0.00 C ATOM 11 O GLY A 531 -10.674 11.885 -5.025 1.00 0.00 O ATOM 0 H GLY A 531 -11.420 14.664 -3.315 1.00 0.00 H new ATOM 0 HA2 GLY A 531 -9.263 12.826 -2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 531 -10.934 12.318 -2.553 1.00 0.00 H new ATOM 15 N THR A 532 -9.023 13.430 -5.022 1.00 0.00 N ATOM 16 CA THR A 532 -8.713 13.264 -6.432 1.00 0.00 C ATOM 17 C THR A 532 -7.228 13.528 -6.686 1.00 0.00 C ATOM 18 O THR A 532 -6.376 12.740 -6.279 1.00 0.00 O ATOM 19 CB THR A 532 -9.639 14.184 -7.230 1.00 0.00 C ATOM 20 OG1 THR A 532 -9.708 15.372 -6.447 1.00 0.00 O ATOM 21 CG2 THR A 532 -11.082 13.676 -7.265 1.00 0.00 C ATOM 0 H THR A 532 -8.451 14.122 -4.538 1.00 0.00 H new ATOM 0 HA THR A 532 -8.889 12.239 -6.758 1.00 0.00 H new ATOM 0 HB THR A 532 -9.264 14.281 -8.249 1.00 0.00 H new ATOM 0 HG1 THR A 532 -10.288 16.024 -6.893 1.00 0.00 H new ATOM 0 HG21 THR A 532 -11.697 14.366 -7.844 1.00 0.00 H new ATOM 0 HG22 THR A 532 -11.109 12.690 -7.728 1.00 0.00 H new ATOM 0 HG23 THR A 532 -11.469 13.611 -6.248 1.00 0.00 H new ATOM 29 N THR A 533 -6.963 14.638 -7.359 1.00 0.00 N ATOM 30 CA THR A 533 -5.596 15.015 -7.673 1.00 0.00 C ATOM 31 C THR A 533 -4.745 13.770 -7.933 1.00 0.00 C ATOM 32 O THR A 533 -5.203 12.824 -8.573 1.00 0.00 O ATOM 33 CB THR A 533 -5.069 15.882 -6.527 1.00 0.00 C ATOM 34 OG1 THR A 533 -5.072 15.008 -5.401 1.00 0.00 O ATOM 35 CG2 THR A 533 -6.046 16.994 -6.138 1.00 0.00 C ATOM 0 H THR A 533 -7.673 15.289 -7.696 1.00 0.00 H new ATOM 0 HA THR A 533 -5.549 15.600 -8.591 1.00 0.00 H new ATOM 0 HB THR A 533 -4.114 16.322 -6.814 1.00 0.00 H new ATOM 0 HG1 THR A 533 -5.981 14.940 -5.042 1.00 0.00 H new ATOM 0 HG21 THR A 533 -5.624 17.579 -5.321 1.00 0.00 H new ATOM 0 HG22 THR A 533 -6.220 17.642 -6.997 1.00 0.00 H new ATOM 0 HG23 THR A 533 -6.990 16.553 -5.819 1.00 0.00 H new ATOM 43 N ASN A 534 -3.523 13.810 -7.423 1.00 0.00 N ATOM 44 CA ASN A 534 -2.605 12.697 -7.591 1.00 0.00 C ATOM 45 C ASN A 534 -2.936 11.609 -6.568 1.00 0.00 C ATOM 46 O ASN A 534 -3.233 11.908 -5.412 1.00 0.00 O ATOM 47 CB ASN A 534 -1.158 13.137 -7.363 1.00 0.00 C ATOM 48 CG ASN A 534 -1.002 14.643 -7.583 1.00 0.00 C ATOM 49 OD1 ASN A 534 -1.712 15.260 -8.359 1.00 0.00 O ATOM 50 ND2 ASN A 534 -0.034 15.198 -6.858 1.00 0.00 N ATOM 0 H ASN A 534 -3.147 14.596 -6.893 1.00 0.00 H new ATOM 0 HA ASN A 534 -2.712 12.323 -8.609 1.00 0.00 H new ATOM 0 HB2 ASN A 534 -0.852 12.880 -6.349 1.00 0.00 H new ATOM 0 HB3 ASN A 534 -0.498 12.596 -8.042 1.00 0.00 H new ATOM 0 HD21 ASN A 534 0.150 16.198 -6.934 1.00 0.00 H new ATOM 0 HD22 ASN A 534 0.524 14.623 -6.227 1.00 0.00 H new ATOM 57 N LYS A 535 -2.872 10.368 -7.029 1.00 0.00 N ATOM 58 CA LYS A 535 -3.161 9.234 -6.167 1.00 0.00 C ATOM 59 C LYS A 535 -2.225 8.078 -6.523 1.00 0.00 C ATOM 60 O LYS A 535 -1.773 7.967 -7.662 1.00 0.00 O ATOM 61 CB LYS A 535 -4.645 8.869 -6.242 1.00 0.00 C ATOM 62 CG LYS A 535 -5.524 10.110 -6.075 1.00 0.00 C ATOM 63 CD LYS A 535 -6.998 9.774 -6.315 1.00 0.00 C ATOM 64 CE LYS A 535 -7.718 9.493 -4.994 1.00 0.00 C ATOM 65 NZ LYS A 535 -9.146 9.191 -5.237 1.00 0.00 N ATOM 0 H LYS A 535 -2.624 10.123 -7.988 1.00 0.00 H new ATOM 0 HA LYS A 535 -2.971 9.489 -5.124 1.00 0.00 H new ATOM 0 HB2 LYS A 535 -4.858 8.394 -7.200 1.00 0.00 H new ATOM 0 HB3 LYS A 535 -4.884 8.142 -5.465 1.00 0.00 H new ATOM 0 HG2 LYS A 535 -5.399 10.517 -5.071 1.00 0.00 H new ATOM 0 HG3 LYS A 535 -5.205 10.883 -6.774 1.00 0.00 H new ATOM 0 HD2 LYS A 535 -7.485 10.603 -6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 535 -7.075 8.904 -6.968 1.00 0.00 H new ATOM 0 HE2 LYS A 535 -7.244 8.653 -4.486 1.00 0.00 H new ATOM 0 HE3 LYS A 535 -7.630 10.356 -4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 -9.485 8.516 -4.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 -9.702 10.068 -5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 -9.257 8.777 -6.184 1.00 0.00 H new ATOM 78 N VAL A 536 -1.960 7.245 -5.527 1.00 0.00 N ATOM 79 CA VAL A 536 -1.086 6.101 -5.720 1.00 0.00 C ATOM 80 C VAL A 536 -1.890 4.813 -5.534 1.00 0.00 C ATOM 81 O VAL A 536 -2.541 4.626 -4.508 1.00 0.00 O ATOM 82 CB VAL A 536 0.116 6.196 -4.778 1.00 0.00 C ATOM 83 CG1 VAL A 536 1.351 5.536 -5.396 1.00 0.00 C ATOM 84 CG2 VAL A 536 0.403 7.651 -4.401 1.00 0.00 C ATOM 0 H VAL A 536 -2.336 7.340 -4.583 1.00 0.00 H new ATOM 0 HA VAL A 536 -0.688 6.092 -6.735 1.00 0.00 H new ATOM 0 HB VAL A 536 -0.131 5.655 -3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 536 2.191 5.618 -4.706 1.00 0.00 H new ATOM 0 HG12 VAL A 536 1.142 4.484 -5.591 1.00 0.00 H new ATOM 0 HG13 VAL A 536 1.601 6.036 -6.332 1.00 0.00 H new ATOM 0 HG21 VAL A 536 1.262 7.691 -3.731 1.00 0.00 H new ATOM 0 HG22 VAL A 536 0.619 8.225 -5.302 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -0.467 8.076 -3.901 1.00 0.00 H new ATOM 94 N THR A 537 -1.817 3.957 -6.544 1.00 0.00 N ATOM 95 CA THR A 537 -2.530 2.692 -6.505 1.00 0.00 C ATOM 96 C THR A 537 -1.552 1.535 -6.289 1.00 0.00 C ATOM 97 O THR A 537 -0.589 1.384 -7.039 1.00 0.00 O ATOM 98 CB THR A 537 -3.344 2.567 -7.794 1.00 0.00 C ATOM 99 OG1 THR A 537 -4.216 3.694 -7.765 1.00 0.00 O ATOM 100 CG2 THR A 537 -4.288 1.364 -7.777 1.00 0.00 C ATOM 0 H THR A 537 -1.275 4.115 -7.393 1.00 0.00 H new ATOM 0 HA THR A 537 -3.221 2.654 -5.663 1.00 0.00 H new ATOM 0 HB THR A 537 -2.666 2.484 -8.644 1.00 0.00 H new ATOM 0 HG1 THR A 537 -4.780 3.692 -8.567 1.00 0.00 H new ATOM 0 HG21 THR A 537 -4.841 1.322 -8.715 1.00 0.00 H new ATOM 0 HG22 THR A 537 -3.709 0.449 -7.657 1.00 0.00 H new ATOM 0 HG23 THR A 537 -4.988 1.462 -6.947 1.00 0.00 H new ATOM 108 N VAL A 538 -1.834 0.748 -5.261 1.00 0.00 N ATOM 109 CA VAL A 538 -0.991 -0.390 -4.937 1.00 0.00 C ATOM 110 C VAL A 538 -1.855 -1.651 -4.852 1.00 0.00 C ATOM 111 O VAL A 538 -2.903 -1.646 -4.209 1.00 0.00 O ATOM 112 CB VAL A 538 -0.209 -0.114 -3.652 1.00 0.00 C ATOM 113 CG1 VAL A 538 1.057 -0.970 -3.585 1.00 0.00 C ATOM 114 CG2 VAL A 538 0.128 1.373 -3.524 1.00 0.00 C ATOM 0 H VAL A 538 -2.634 0.876 -4.642 1.00 0.00 H new ATOM 0 HA VAL A 538 -0.252 -0.553 -5.722 1.00 0.00 H new ATOM 0 HB VAL A 538 -0.843 -0.388 -2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 538 1.594 -0.754 -2.661 1.00 0.00 H new ATOM 0 HG12 VAL A 538 0.784 -2.025 -3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 538 1.696 -0.742 -4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 538 0.684 1.542 -2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 538 0.734 1.683 -4.375 1.00 0.00 H new ATOM 0 HG23 VAL A 538 -0.794 1.955 -3.504 1.00 0.00 H new ATOM 124 N TYR A 539 -1.382 -2.699 -5.509 1.00 0.00 N ATOM 125 CA TYR A 539 -2.097 -3.963 -5.516 1.00 0.00 C ATOM 126 C TYR A 539 -1.463 -4.958 -4.542 1.00 0.00 C ATOM 127 O TYR A 539 -0.239 -5.056 -4.459 1.00 0.00 O ATOM 128 CB TYR A 539 -1.972 -4.511 -6.939 1.00 0.00 C ATOM 129 CG TYR A 539 -3.159 -4.171 -7.843 1.00 0.00 C ATOM 130 CD1 TYR A 539 -3.232 -2.933 -8.448 1.00 0.00 C ATOM 131 CD2 TYR A 539 -4.155 -5.103 -8.053 1.00 0.00 C ATOM 132 CE1 TYR A 539 -4.349 -2.613 -9.300 1.00 0.00 C ATOM 133 CE2 TYR A 539 -5.272 -4.783 -8.904 1.00 0.00 C ATOM 134 CZ TYR A 539 -5.314 -3.554 -9.486 1.00 0.00 C ATOM 135 OH TYR A 539 -6.368 -3.251 -10.289 1.00 0.00 O ATOM 0 H TYR A 539 -0.512 -2.699 -6.041 1.00 0.00 H new ATOM 0 HA TYR A 539 -3.134 -3.818 -5.213 1.00 0.00 H new ATOM 0 HB2 TYR A 539 -1.061 -4.118 -7.390 1.00 0.00 H new ATOM 0 HB3 TYR A 539 -1.863 -5.595 -6.892 1.00 0.00 H new ATOM 0 HD1 TYR A 539 -2.452 -2.204 -8.283 1.00 0.00 H new ATOM 0 HD2 TYR A 539 -4.097 -6.072 -7.579 1.00 0.00 H new ATOM 0 HE1 TYR A 539 -4.419 -1.648 -9.780 1.00 0.00 H new ATOM 0 HE2 TYR A 539 -6.059 -5.503 -9.076 1.00 0.00 H new ATOM 0 HH TYR A 539 -6.978 -4.017 -10.331 1.00 0.00 H new ATOM 145 N TYR A 540 -2.323 -5.670 -3.828 1.00 0.00 N ATOM 146 CA TYR A 540 -1.862 -6.653 -2.863 1.00 0.00 C ATOM 147 C TYR A 540 -2.513 -8.014 -3.113 1.00 0.00 C ATOM 148 O TYR A 540 -3.703 -8.091 -3.416 1.00 0.00 O ATOM 149 CB TYR A 540 -2.299 -6.135 -1.492 1.00 0.00 C ATOM 150 CG TYR A 540 -2.343 -7.211 -0.405 1.00 0.00 C ATOM 151 CD1 TYR A 540 -1.180 -7.843 -0.012 1.00 0.00 C ATOM 152 CD2 TYR A 540 -3.545 -7.550 0.182 1.00 0.00 C ATOM 153 CE1 TYR A 540 -1.221 -8.856 1.010 1.00 0.00 C ATOM 154 CE2 TYR A 540 -3.586 -8.563 1.205 1.00 0.00 C ATOM 155 CZ TYR A 540 -2.422 -9.166 1.569 1.00 0.00 C ATOM 156 OH TYR A 540 -2.461 -10.123 2.535 1.00 0.00 O ATOM 0 H TYR A 540 -3.337 -5.585 -3.899 1.00 0.00 H new ATOM 0 HA TYR A 540 -0.782 -6.785 -2.935 1.00 0.00 H new ATOM 0 HB2 TYR A 540 -1.616 -5.345 -1.179 1.00 0.00 H new ATOM 0 HB3 TYR A 540 -3.287 -5.685 -1.583 1.00 0.00 H new ATOM 0 HD1 TYR A 540 -0.239 -7.577 -0.471 1.00 0.00 H new ATOM 0 HD2 TYR A 540 -4.455 -7.056 -0.126 1.00 0.00 H new ATOM 0 HE1 TYR A 540 -0.319 -9.359 1.326 1.00 0.00 H new ATOM 0 HE2 TYR A 540 -4.520 -8.838 1.673 1.00 0.00 H new ATOM 0 HH TYR A 540 -1.612 -10.129 3.024 1.00 0.00 H new ATOM 166 N LYS A 541 -1.705 -9.056 -2.977 1.00 0.00 N ATOM 167 CA LYS A 541 -2.189 -10.410 -3.184 1.00 0.00 C ATOM 168 C LYS A 541 -2.715 -10.967 -1.859 1.00 0.00 C ATOM 169 O LYS A 541 -1.947 -11.180 -0.922 1.00 0.00 O ATOM 170 CB LYS A 541 -1.102 -11.274 -3.826 1.00 0.00 C ATOM 171 CG LYS A 541 -1.698 -12.549 -4.426 1.00 0.00 C ATOM 172 CD LYS A 541 -0.832 -13.073 -5.573 1.00 0.00 C ATOM 173 CE LYS A 541 -1.669 -13.877 -6.570 1.00 0.00 C ATOM 174 NZ LYS A 541 -0.843 -14.920 -7.217 1.00 0.00 N ATOM 0 H LYS A 541 -0.719 -8.989 -2.726 1.00 0.00 H new ATOM 0 HA LYS A 541 -3.023 -10.414 -3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -0.593 -10.705 -4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 541 -0.352 -11.535 -3.079 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -1.785 -13.313 -3.653 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -2.706 -12.347 -4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 541 -0.355 -12.237 -6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 541 -0.034 -13.700 -5.174 1.00 0.00 H new ATOM 0 HE2 LYS A 541 -2.512 -14.339 -6.057 1.00 0.00 H new ATOM 0 HE3 LYS A 541 -2.083 -13.211 -7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 -1.426 -15.456 -7.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 -0.053 -14.472 -7.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 -0.469 -15.565 -6.492 1.00 0.00 H new ATOM 187 N LYS A 542 -4.021 -11.188 -1.824 1.00 0.00 N ATOM 188 CA LYS A 542 -4.659 -11.716 -0.630 1.00 0.00 C ATOM 189 C LYS A 542 -4.599 -13.245 -0.660 1.00 0.00 C ATOM 190 O LYS A 542 -5.015 -13.867 -1.636 1.00 0.00 O ATOM 191 CB LYS A 542 -6.076 -11.158 -0.489 1.00 0.00 C ATOM 192 CG LYS A 542 -7.077 -12.275 -0.186 1.00 0.00 C ATOM 193 CD LYS A 542 -6.997 -12.700 1.282 1.00 0.00 C ATOM 194 CE LYS A 542 -6.593 -14.170 1.406 1.00 0.00 C ATOM 195 NZ LYS A 542 -7.646 -14.940 2.106 1.00 0.00 N ATOM 0 H LYS A 542 -4.655 -11.011 -2.603 1.00 0.00 H new ATOM 0 HA LYS A 542 -4.124 -11.393 0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 542 -6.101 -10.416 0.309 1.00 0.00 H new ATOM 0 HB3 LYS A 542 -6.363 -10.647 -1.408 1.00 0.00 H new ATOM 0 HG2 LYS A 542 -8.087 -11.935 -0.415 1.00 0.00 H new ATOM 0 HG3 LYS A 542 -6.876 -13.133 -0.828 1.00 0.00 H new ATOM 0 HD2 LYS A 542 -6.274 -12.075 1.806 1.00 0.00 H new ATOM 0 HD3 LYS A 542 -7.962 -12.543 1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 542 -6.424 -14.592 0.415 1.00 0.00 H new ATOM 0 HE3 LYS A 542 -5.653 -14.250 1.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 542 -7.356 -15.936 2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 542 -7.788 -14.547 3.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 542 -8.535 -14.878 1.570 1.00 0.00 H new ATOM 208 N GLY A 543 -4.080 -13.806 0.422 1.00 0.00 N ATOM 209 CA GLY A 543 -3.612 -12.996 1.534 1.00 0.00 C ATOM 210 C GLY A 543 -3.473 -13.836 2.805 1.00 0.00 C ATOM 211 O GLY A 543 -2.806 -14.870 2.800 1.00 0.00 O ATOM 0 H GLY A 543 -3.973 -14.812 0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 543 -2.650 -12.548 1.283 1.00 0.00 H new ATOM 0 HA3 GLY A 543 -4.309 -12.177 1.710 1.00 0.00 H new ATOM 215 N PHE A 544 -4.114 -13.361 3.863 1.00 0.00 N ATOM 216 CA PHE A 544 -4.071 -14.056 5.138 1.00 0.00 C ATOM 217 C PHE A 544 -5.477 -14.231 5.715 1.00 0.00 C ATOM 218 O PHE A 544 -5.837 -15.318 6.163 1.00 0.00 O ATOM 219 CB PHE A 544 -3.245 -13.190 6.092 1.00 0.00 C ATOM 220 CG PHE A 544 -1.857 -13.755 6.402 1.00 0.00 C ATOM 221 CD1 PHE A 544 -1.735 -14.898 7.129 1.00 0.00 C ATOM 222 CD2 PHE A 544 -0.746 -13.115 5.950 1.00 0.00 C ATOM 223 CE1 PHE A 544 -0.447 -15.422 7.417 1.00 0.00 C ATOM 224 CE2 PHE A 544 0.542 -13.639 6.237 1.00 0.00 C ATOM 225 CZ PHE A 544 0.664 -14.781 6.965 1.00 0.00 C ATOM 0 H PHE A 544 -4.666 -12.503 3.863 1.00 0.00 H new ATOM 0 HA PHE A 544 -3.635 -15.047 5.007 1.00 0.00 H new ATOM 0 HB2 PHE A 544 -3.133 -12.196 5.659 1.00 0.00 H new ATOM 0 HB3 PHE A 544 -3.794 -13.071 7.026 1.00 0.00 H new ATOM 0 HD1 PHE A 544 -2.618 -15.407 7.487 1.00 0.00 H new ATOM 0 HD2 PHE A 544 -0.843 -12.208 5.372 1.00 0.00 H new ATOM 0 HE1 PHE A 544 -0.350 -16.329 7.995 1.00 0.00 H new ATOM 0 HE2 PHE A 544 1.424 -13.131 5.877 1.00 0.00 H new ATOM 0 HZ PHE A 544 1.644 -15.179 7.184 1.00 0.00 H new ATOM 235 N ASN A 545 -6.233 -13.144 5.686 1.00 0.00 N ATOM 236 CA ASN A 545 -7.592 -13.163 6.200 1.00 0.00 C ATOM 237 C ASN A 545 -8.191 -11.759 6.099 1.00 0.00 C ATOM 238 O ASN A 545 -9.339 -11.599 5.688 1.00 0.00 O ATOM 239 CB ASN A 545 -7.618 -13.584 7.671 1.00 0.00 C ATOM 240 CG ASN A 545 -6.592 -12.793 8.486 1.00 0.00 C ATOM 241 OD1 ASN A 545 -6.839 -11.686 8.936 1.00 0.00 O ATOM 242 ND2 ASN A 545 -5.431 -13.420 8.648 1.00 0.00 N ATOM 0 H ASN A 545 -5.930 -12.244 5.314 1.00 0.00 H new ATOM 0 HA ASN A 545 -8.166 -13.878 5.610 1.00 0.00 H new ATOM 0 HB2 ASN A 545 -8.615 -13.424 8.081 1.00 0.00 H new ATOM 0 HB3 ASN A 545 -7.408 -14.650 7.752 1.00 0.00 H new ATOM 0 HD21 ASN A 545 -4.680 -12.975 9.176 1.00 0.00 H new ATOM 0 HD22 ASN A 545 -5.291 -14.346 8.244 1.00 0.00 H new ATOM 249 N SER A 546 -7.387 -10.778 6.481 1.00 0.00 N ATOM 250 CA SER A 546 -7.823 -9.393 6.439 1.00 0.00 C ATOM 251 C SER A 546 -6.703 -8.476 6.934 1.00 0.00 C ATOM 252 O SER A 546 -6.861 -7.784 7.939 1.00 0.00 O ATOM 253 CB SER A 546 -9.087 -9.188 7.277 1.00 0.00 C ATOM 254 OG SER A 546 -10.270 -9.266 6.487 1.00 0.00 O ATOM 0 H SER A 546 -6.435 -10.915 6.821 1.00 0.00 H new ATOM 0 HA SER A 546 -8.060 -9.140 5.405 1.00 0.00 H new ATOM 0 HB2 SER A 546 -9.126 -9.941 8.064 1.00 0.00 H new ATOM 0 HB3 SER A 546 -9.043 -8.216 7.768 1.00 0.00 H new ATOM 0 HG SER A 546 -10.280 -10.114 5.996 1.00 0.00 H new ATOM 260 N PRO A 547 -5.567 -8.501 6.187 1.00 0.00 N ATOM 261 CA PRO A 547 -4.421 -7.681 6.540 1.00 0.00 C ATOM 262 C PRO A 547 -4.666 -6.214 6.181 1.00 0.00 C ATOM 263 O PRO A 547 -5.344 -5.916 5.198 1.00 0.00 O ATOM 264 CB PRO A 547 -3.252 -8.290 5.783 1.00 0.00 C ATOM 265 CG PRO A 547 -3.867 -9.136 4.679 1.00 0.00 C ATOM 266 CD PRO A 547 -5.344 -9.309 4.991 1.00 0.00 C ATOM 0 HA PRO A 547 -4.223 -7.674 7.612 1.00 0.00 H new ATOM 0 HB2 PRO A 547 -2.608 -7.514 5.368 1.00 0.00 H new ATOM 0 HB3 PRO A 547 -2.633 -8.898 6.443 1.00 0.00 H new ATOM 0 HG2 PRO A 547 -3.736 -8.653 3.710 1.00 0.00 H new ATOM 0 HG3 PRO A 547 -3.373 -10.106 4.622 1.00 0.00 H new ATOM 0 HD2 PRO A 547 -5.966 -8.970 4.163 1.00 0.00 H new ATOM 0 HD3 PRO A 547 -5.591 -10.356 5.168 1.00 0.00 H new ATOM 274 N TYR A 548 -4.101 -5.336 6.996 1.00 0.00 N ATOM 275 CA TYR A 548 -4.249 -3.907 6.776 1.00 0.00 C ATOM 276 C TYR A 548 -2.961 -3.301 6.216 1.00 0.00 C ATOM 277 O TYR A 548 -1.894 -3.906 6.313 1.00 0.00 O ATOM 278 CB TYR A 548 -4.530 -3.296 8.151 1.00 0.00 C ATOM 279 CG TYR A 548 -6.014 -3.049 8.430 1.00 0.00 C ATOM 280 CD1 TYR A 548 -6.813 -4.082 8.877 1.00 0.00 C ATOM 281 CD2 TYR A 548 -6.554 -1.794 8.236 1.00 0.00 C ATOM 282 CE1 TYR A 548 -8.210 -3.850 9.140 1.00 0.00 C ATOM 283 CE2 TYR A 548 -7.950 -1.562 8.499 1.00 0.00 C ATOM 284 CZ TYR A 548 -8.709 -2.602 8.938 1.00 0.00 C ATOM 285 OH TYR A 548 -10.028 -2.382 9.187 1.00 0.00 O ATOM 0 H TYR A 548 -3.540 -5.586 7.810 1.00 0.00 H new ATOM 0 HA TYR A 548 -5.046 -3.710 6.059 1.00 0.00 H new ATOM 0 HB2 TYR A 548 -4.131 -3.958 8.920 1.00 0.00 H new ATOM 0 HB3 TYR A 548 -3.993 -2.351 8.234 1.00 0.00 H new ATOM 0 HD1 TYR A 548 -6.391 -5.064 9.030 1.00 0.00 H new ATOM 0 HD2 TYR A 548 -5.929 -0.986 7.887 1.00 0.00 H new ATOM 0 HE1 TYR A 548 -8.846 -4.649 9.490 1.00 0.00 H new ATOM 0 HE2 TYR A 548 -8.385 -0.585 8.351 1.00 0.00 H new ATOM 0 HH TYR A 548 -10.244 -1.445 9.000 1.00 0.00 H new ATOM 295 N ILE A 549 -3.102 -2.115 5.643 1.00 0.00 N ATOM 296 CA ILE A 549 -1.963 -1.421 5.068 1.00 0.00 C ATOM 297 C ILE A 549 -1.882 -0.010 5.652 1.00 0.00 C ATOM 298 O ILE A 549 -2.907 0.633 5.875 1.00 0.00 O ATOM 299 CB ILE A 549 -2.033 -1.451 3.540 1.00 0.00 C ATOM 300 CG1 ILE A 549 -1.239 -0.293 2.932 1.00 0.00 C ATOM 301 CG2 ILE A 549 -3.486 -1.465 3.058 1.00 0.00 C ATOM 302 CD1 ILE A 549 -0.751 -0.642 1.524 1.00 0.00 C ATOM 0 H ILE A 549 -3.989 -1.617 5.565 1.00 0.00 H new ATOM 0 HA ILE A 549 -1.035 -1.929 5.332 1.00 0.00 H new ATOM 0 HB ILE A 549 -1.570 -2.375 3.195 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -1.863 0.600 2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -0.386 -0.058 3.569 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -3.508 -1.486 1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -3.990 -2.349 3.448 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -3.996 -0.570 3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -0.190 0.198 1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -0.108 -1.521 1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -1.608 -0.852 0.884 1.00 0.00 H new ATOM 314 N HIS A 550 -0.654 0.431 5.884 1.00 0.00 N ATOM 315 CA HIS A 550 -0.427 1.755 6.439 1.00 0.00 C ATOM 316 C HIS A 550 0.626 2.487 5.604 1.00 0.00 C ATOM 317 O HIS A 550 1.778 2.061 5.540 1.00 0.00 O ATOM 318 CB HIS A 550 -0.053 1.667 7.920 1.00 0.00 C ATOM 319 CG HIS A 550 0.044 3.006 8.610 1.00 0.00 C ATOM 320 ND1 HIS A 550 -0.612 4.135 8.150 1.00 0.00 N ATOM 321 CD2 HIS A 550 0.725 3.385 9.729 1.00 0.00 C ATOM 322 CE1 HIS A 550 -0.331 5.142 8.964 1.00 0.00 C ATOM 323 NE2 HIS A 550 0.498 4.676 9.941 1.00 0.00 N ATOM 0 H HIS A 550 0.194 -0.105 5.698 1.00 0.00 H new ATOM 0 HA HIS A 550 -1.348 2.336 6.391 1.00 0.00 H new ATOM 0 HB2 HIS A 550 -0.795 1.057 8.436 1.00 0.00 H new ATOM 0 HB3 HIS A 550 0.903 1.152 8.013 1.00 0.00 H new ATOM 0 HD1 HIS A 550 -1.210 4.183 7.325 1.00 0.00 H new ATOM 0 HD2 HIS A 550 1.344 2.744 10.339 1.00 0.00 H new ATOM 0 HE1 HIS A 550 -0.695 6.155 8.870 1.00 0.00 H new ATOM 331 N TYR A 551 0.192 3.575 4.985 1.00 0.00 N ATOM 332 CA TYR A 551 1.083 4.370 4.157 1.00 0.00 C ATOM 333 C TYR A 551 1.189 5.803 4.685 1.00 0.00 C ATOM 334 O TYR A 551 0.328 6.256 5.438 1.00 0.00 O ATOM 335 CB TYR A 551 0.451 4.398 2.764 1.00 0.00 C ATOM 336 CG TYR A 551 -1.054 4.120 2.758 1.00 0.00 C ATOM 337 CD1 TYR A 551 -1.940 5.109 3.134 1.00 0.00 C ATOM 338 CD2 TYR A 551 -1.525 2.880 2.376 1.00 0.00 C ATOM 339 CE1 TYR A 551 -3.356 4.847 3.128 1.00 0.00 C ATOM 340 CE2 TYR A 551 -2.940 2.618 2.370 1.00 0.00 C ATOM 341 CZ TYR A 551 -3.786 3.615 2.746 1.00 0.00 C ATOM 342 OH TYR A 551 -5.124 3.367 2.740 1.00 0.00 O ATOM 0 H TYR A 551 -0.765 3.925 5.040 1.00 0.00 H new ATOM 0 HA TYR A 551 2.086 3.943 4.153 1.00 0.00 H new ATOM 0 HB2 TYR A 551 0.632 5.374 2.314 1.00 0.00 H new ATOM 0 HB3 TYR A 551 0.949 3.660 2.135 1.00 0.00 H new ATOM 0 HD1 TYR A 551 -1.571 6.079 3.433 1.00 0.00 H new ATOM 0 HD2 TYR A 551 -0.831 2.106 2.082 1.00 0.00 H new ATOM 0 HE1 TYR A 551 -4.060 5.612 3.420 1.00 0.00 H new ATOM 0 HE2 TYR A 551 -3.322 1.652 2.074 1.00 0.00 H new ATOM 0 HH TYR A 551 -5.380 2.976 1.879 1.00 0.00 H new ATOM 352 N ARG A 552 2.252 6.475 4.269 1.00 0.00 N ATOM 353 CA ARG A 552 2.482 7.847 4.690 1.00 0.00 C ATOM 354 C ARG A 552 2.983 8.686 3.513 1.00 0.00 C ATOM 355 O ARG A 552 3.890 8.272 2.793 1.00 0.00 O ATOM 356 CB ARG A 552 3.505 7.910 5.826 1.00 0.00 C ATOM 357 CG ARG A 552 4.377 9.162 5.709 1.00 0.00 C ATOM 358 CD ARG A 552 5.110 9.443 7.022 1.00 0.00 C ATOM 359 NE ARG A 552 6.445 8.805 7.003 1.00 0.00 N ATOM 360 CZ ARG A 552 7.508 9.250 7.707 1.00 0.00 C ATOM 361 NH1 ARG A 552 7.400 10.343 8.492 1.00 0.00 N ATOM 362 NH2 ARG A 552 8.654 8.602 7.615 1.00 0.00 N ATOM 0 H ARG A 552 2.964 6.095 3.645 1.00 0.00 H new ATOM 0 HA ARG A 552 1.534 8.248 5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 552 2.988 7.910 6.786 1.00 0.00 H new ATOM 0 HB3 ARG A 552 4.135 7.020 5.803 1.00 0.00 H new ATOM 0 HG2 ARG A 552 5.101 9.032 4.905 1.00 0.00 H new ATOM 0 HG3 ARG A 552 3.757 10.018 5.444 1.00 0.00 H new ATOM 0 HD2 ARG A 552 5.214 10.518 7.167 1.00 0.00 H new ATOM 0 HD3 ARG A 552 4.528 9.063 7.862 1.00 0.00 H new ATOM 0 HE ARG A 552 6.570 7.977 6.421 1.00 0.00 H new ATOM 0 HH11 ARG A 552 6.511 10.839 8.556 1.00 0.00 H new ATOM 0 HH12 ARG A 552 8.207 10.673 9.021 1.00 0.00 H new ATOM 0 HH21 ARG A 552 8.727 7.778 7.019 1.00 0.00 H new ATOM 0 HH22 ARG A 552 9.466 8.925 8.140 1.00 0.00 H new ATOM 375 N PRO A 553 2.355 9.881 3.351 1.00 0.00 N ATOM 376 CA PRO A 553 2.728 10.783 2.274 1.00 0.00 C ATOM 377 C PRO A 553 4.054 11.482 2.580 1.00 0.00 C ATOM 378 O PRO A 553 4.461 11.572 3.738 1.00 0.00 O ATOM 379 CB PRO A 553 1.562 11.750 2.148 1.00 0.00 C ATOM 380 CG PRO A 553 0.793 11.647 3.455 1.00 0.00 C ATOM 381 CD PRO A 553 1.276 10.404 4.185 1.00 0.00 C ATOM 0 HA PRO A 553 2.900 10.264 1.331 1.00 0.00 H new ATOM 0 HB2 PRO A 553 1.915 12.768 1.981 1.00 0.00 H new ATOM 0 HB3 PRO A 553 0.928 11.490 1.300 1.00 0.00 H new ATOM 0 HG2 PRO A 553 0.957 12.535 4.065 1.00 0.00 H new ATOM 0 HG3 PRO A 553 -0.278 11.585 3.263 1.00 0.00 H new ATOM 0 HD2 PRO A 553 1.631 10.646 5.187 1.00 0.00 H new ATOM 0 HD3 PRO A 553 0.474 9.675 4.299 1.00 0.00 H new ATOM 389 N ALA A 554 4.692 11.960 1.522 1.00 0.00 N ATOM 390 CA ALA A 554 5.964 12.649 1.662 1.00 0.00 C ATOM 391 C ALA A 554 5.833 13.739 2.728 1.00 0.00 C ATOM 392 O ALA A 554 6.829 14.163 3.313 1.00 0.00 O ATOM 393 CB ALA A 554 6.394 13.209 0.305 1.00 0.00 C ATOM 0 H ALA A 554 4.352 11.884 0.563 1.00 0.00 H new ATOM 0 HA ALA A 554 6.741 11.958 1.990 1.00 0.00 H new ATOM 0 HB1 ALA A 554 7.348 13.726 0.410 1.00 0.00 H new ATOM 0 HB2 ALA A 554 6.501 12.392 -0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 554 5.640 13.909 -0.055 1.00 0.00 H new ATOM 399 N GLY A 555 4.597 14.162 2.947 1.00 0.00 N ATOM 400 CA GLY A 555 4.324 15.195 3.932 1.00 0.00 C ATOM 401 C GLY A 555 4.865 14.798 5.307 1.00 0.00 C ATOM 402 O GLY A 555 5.031 15.648 6.182 1.00 0.00 O ATOM 0 H GLY A 555 3.774 13.809 2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 555 4.779 16.134 3.615 1.00 0.00 H new ATOM 0 HA3 GLY A 555 3.250 15.367 3.996 1.00 0.00 H new ATOM 406 N GLY A 556 5.124 13.508 5.456 1.00 0.00 N ATOM 407 CA GLY A 556 5.643 12.988 6.710 1.00 0.00 C ATOM 408 C GLY A 556 4.508 12.700 7.695 1.00 0.00 C ATOM 409 O GLY A 556 4.707 12.750 8.908 1.00 0.00 O ATOM 0 H GLY A 556 4.984 12.806 4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 556 6.208 12.075 6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 556 6.335 13.707 7.147 1.00 0.00 H new ATOM 413 N SER A 557 3.344 12.405 7.137 1.00 0.00 N ATOM 414 CA SER A 557 2.177 12.109 7.951 1.00 0.00 C ATOM 415 C SER A 557 1.909 10.603 7.953 1.00 0.00 C ATOM 416 O SER A 557 2.225 9.911 6.987 1.00 0.00 O ATOM 417 CB SER A 557 0.947 12.866 7.447 1.00 0.00 C ATOM 418 OG SER A 557 1.297 13.912 6.545 1.00 0.00 O ATOM 0 H SER A 557 3.183 12.364 6.131 1.00 0.00 H new ATOM 0 HA SER A 557 2.379 12.437 8.971 1.00 0.00 H new ATOM 0 HB2 SER A 557 0.271 12.170 6.950 1.00 0.00 H new ATOM 0 HB3 SER A 557 0.406 13.285 8.296 1.00 0.00 H new ATOM 0 HG SER A 557 0.485 14.370 6.244 1.00 0.00 H new ATOM 424 N TRP A 558 1.329 10.139 9.051 1.00 0.00 N ATOM 425 CA TRP A 558 1.015 8.727 9.191 1.00 0.00 C ATOM 426 C TRP A 558 -0.481 8.603 9.486 1.00 0.00 C ATOM 427 O TRP A 558 -0.910 8.781 10.625 1.00 0.00 O ATOM 428 CB TRP A 558 1.892 8.074 10.262 1.00 0.00 C ATOM 429 CG TRP A 558 3.324 7.791 9.805 1.00 0.00 C ATOM 430 CD1 TRP A 558 4.439 8.466 10.118 1.00 0.00 C ATOM 431 CD2 TRP A 558 3.754 6.722 8.935 1.00 0.00 C ATOM 432 NE1 TRP A 558 5.551 7.914 9.516 1.00 0.00 N ATOM 433 CE2 TRP A 558 5.121 6.819 8.774 1.00 0.00 C ATOM 434 CE3 TRP A 558 3.012 5.707 8.306 1.00 0.00 C ATOM 435 CZ2 TRP A 558 5.865 5.933 7.986 1.00 0.00 C ATOM 436 CZ3 TRP A 558 3.770 4.830 7.522 1.00 0.00 C ATOM 437 CH2 TRP A 558 5.146 4.914 7.349 1.00 0.00 C ATOM 0 H TRP A 558 1.069 10.716 9.851 1.00 0.00 H new ATOM 0 HA TRP A 558 1.234 8.189 8.268 1.00 0.00 H new ATOM 0 HB2 TRP A 558 1.922 8.723 11.137 1.00 0.00 H new ATOM 0 HB3 TRP A 558 1.429 7.138 10.575 1.00 0.00 H new ATOM 0 HD1 TRP A 558 4.464 9.333 10.761 1.00 0.00 H new ATOM 0 HE1 TRP A 558 6.511 8.247 9.600 1.00 0.00 H new ATOM 0 HE3 TRP A 558 1.942 5.612 8.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 558 6.935 6.030 7.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 558 3.248 4.031 7.016 1.00 0.00 H new ATOM 0 HH2 TRP A 558 5.659 4.196 6.726 1.00 0.00 H new ATOM 448 N THR A 559 -1.235 8.298 8.440 1.00 0.00 N ATOM 449 CA THR A 559 -2.674 8.148 8.573 1.00 0.00 C ATOM 450 C THR A 559 -3.012 7.321 9.815 1.00 0.00 C ATOM 451 O THR A 559 -2.127 6.727 10.429 1.00 0.00 O ATOM 452 CB THR A 559 -3.208 7.540 7.274 1.00 0.00 C ATOM 453 OG1 THR A 559 -2.747 8.428 6.260 1.00 0.00 O ATOM 454 CG2 THR A 559 -4.732 7.619 7.174 1.00 0.00 C ATOM 0 H THR A 559 -0.876 8.151 7.497 1.00 0.00 H new ATOM 0 HA THR A 559 -3.160 9.112 8.722 1.00 0.00 H new ATOM 0 HB THR A 559 -2.893 6.499 7.204 1.00 0.00 H new ATOM 0 HG1 THR A 559 -3.047 8.108 5.384 1.00 0.00 H new ATOM 0 HG21 THR A 559 -5.059 7.174 6.234 1.00 0.00 H new ATOM 0 HG22 THR A 559 -5.180 7.077 8.007 1.00 0.00 H new ATOM 0 HG23 THR A 559 -5.045 8.662 7.210 1.00 0.00 H new ATOM 462 N ALA A 560 -4.294 7.309 10.148 1.00 0.00 N ATOM 463 CA ALA A 560 -4.759 6.564 11.306 1.00 0.00 C ATOM 464 C ALA A 560 -4.365 5.094 11.153 1.00 0.00 C ATOM 465 O ALA A 560 -4.925 4.379 10.324 1.00 0.00 O ATOM 466 CB ALA A 560 -6.270 6.749 11.458 1.00 0.00 C ATOM 0 H ALA A 560 -5.025 7.803 9.637 1.00 0.00 H new ATOM 0 HA ALA A 560 -4.291 6.938 12.216 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -6.619 6.190 12.326 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -6.495 7.807 11.592 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -6.773 6.382 10.564 1.00 0.00 H new ATOM 472 N ALA A 561 -3.402 4.685 11.968 1.00 0.00 N ATOM 473 CA ALA A 561 -2.926 3.313 11.934 1.00 0.00 C ATOM 474 C ALA A 561 -3.935 2.410 12.646 1.00 0.00 C ATOM 475 O ALA A 561 -4.386 2.724 13.747 1.00 0.00 O ATOM 476 CB ALA A 561 -1.533 3.240 12.562 1.00 0.00 C ATOM 0 H ALA A 561 -2.939 5.280 12.655 1.00 0.00 H new ATOM 0 HA ALA A 561 -2.838 2.962 10.906 1.00 0.00 H new ATOM 0 HB1 ALA A 561 -1.176 2.210 12.536 1.00 0.00 H new ATOM 0 HB2 ALA A 561 -0.848 3.876 12.002 1.00 0.00 H new ATOM 0 HB3 ALA A 561 -1.582 3.582 13.596 1.00 0.00 H new ATOM 482 N PRO A 562 -4.268 1.276 11.973 1.00 0.00 N ATOM 483 CA PRO A 562 -3.687 0.980 10.674 1.00 0.00 C ATOM 484 C PRO A 562 -4.310 1.852 9.583 1.00 0.00 C ATOM 485 O PRO A 562 -5.498 2.166 9.636 1.00 0.00 O ATOM 486 CB PRO A 562 -3.936 -0.505 10.462 1.00 0.00 C ATOM 487 CG PRO A 562 -5.047 -0.884 11.428 1.00 0.00 C ATOM 488 CD PRO A 562 -5.202 0.251 12.428 1.00 0.00 C ATOM 0 HA PRO A 562 -2.621 1.203 10.629 1.00 0.00 H new ATOM 0 HB2 PRO A 562 -4.228 -0.709 9.432 1.00 0.00 H new ATOM 0 HB3 PRO A 562 -3.034 -1.084 10.658 1.00 0.00 H new ATOM 0 HG2 PRO A 562 -5.981 -1.049 10.890 1.00 0.00 H new ATOM 0 HG3 PRO A 562 -4.806 -1.815 11.941 1.00 0.00 H new ATOM 0 HD2 PRO A 562 -6.225 0.627 12.445 1.00 0.00 H new ATOM 0 HD3 PRO A 562 -4.967 -0.078 13.440 1.00 0.00 H new ATOM 496 N GLY A 563 -3.480 2.220 8.618 1.00 0.00 N ATOM 497 CA GLY A 563 -3.934 3.051 7.516 1.00 0.00 C ATOM 498 C GLY A 563 -5.364 2.688 7.109 1.00 0.00 C ATOM 499 O GLY A 563 -6.323 3.119 7.746 1.00 0.00 O ATOM 0 H GLY A 563 -2.495 1.958 8.577 1.00 0.00 H new ATOM 0 HA2 GLY A 563 -3.890 4.101 7.805 1.00 0.00 H new ATOM 0 HA3 GLY A 563 -3.267 2.927 6.663 1.00 0.00 H new ATOM 503 N VAL A 564 -5.461 1.898 6.050 1.00 0.00 N ATOM 504 CA VAL A 564 -6.757 1.472 5.550 1.00 0.00 C ATOM 505 C VAL A 564 -6.692 -0.010 5.173 1.00 0.00 C ATOM 506 O VAL A 564 -5.609 -0.551 4.955 1.00 0.00 O ATOM 507 CB VAL A 564 -7.189 2.366 4.387 1.00 0.00 C ATOM 508 CG1 VAL A 564 -8.697 2.263 4.146 1.00 0.00 C ATOM 509 CG2 VAL A 564 -6.770 3.818 4.626 1.00 0.00 C ATOM 0 H VAL A 564 -4.663 1.542 5.524 1.00 0.00 H new ATOM 0 HA VAL A 564 -7.518 1.578 6.323 1.00 0.00 H new ATOM 0 HB VAL A 564 -6.682 2.014 3.489 1.00 0.00 H new ATOM 0 HG11 VAL A 564 -8.977 2.909 3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 564 -8.958 1.232 3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 564 -9.231 2.575 5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 564 -7.089 4.432 3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 564 -7.236 4.185 5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 564 -5.686 3.872 4.724 1.00 0.00 H new ATOM 519 N LYS A 565 -7.865 -0.623 5.109 1.00 0.00 N ATOM 520 CA LYS A 565 -7.954 -2.031 4.762 1.00 0.00 C ATOM 521 C LYS A 565 -7.995 -2.176 3.239 1.00 0.00 C ATOM 522 O LYS A 565 -8.868 -1.612 2.582 1.00 0.00 O ATOM 523 CB LYS A 565 -9.141 -2.684 5.473 1.00 0.00 C ATOM 524 CG LYS A 565 -10.449 -2.398 4.732 1.00 0.00 C ATOM 525 CD LYS A 565 -10.786 -3.529 3.758 1.00 0.00 C ATOM 526 CE LYS A 565 -12.266 -3.905 3.845 1.00 0.00 C ATOM 527 NZ LYS A 565 -12.806 -4.200 2.499 1.00 0.00 N ATOM 0 H LYS A 565 -8.761 -0.171 5.291 1.00 0.00 H new ATOM 0 HA LYS A 565 -7.070 -2.565 5.110 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -8.983 -3.761 5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -9.208 -2.310 6.495 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -11.260 -2.279 5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -10.365 -1.457 4.188 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -10.545 -3.221 2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -10.172 -4.401 3.982 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -12.389 -4.774 4.491 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -12.829 -3.089 4.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -13.812 -4.453 2.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -12.706 -3.361 1.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -12.280 -4.994 2.080 1.00 0.00 H new ATOM 540 N MET A 566 -7.039 -2.935 2.723 1.00 0.00 N ATOM 541 CA MET A 566 -6.955 -3.160 1.290 1.00 0.00 C ATOM 542 C MET A 566 -8.348 -3.211 0.660 1.00 0.00 C ATOM 543 O MET A 566 -9.215 -3.951 1.122 1.00 0.00 O ATOM 544 CB MET A 566 -6.225 -4.478 1.023 1.00 0.00 C ATOM 545 CG MET A 566 -4.974 -4.249 0.171 1.00 0.00 C ATOM 546 SD MET A 566 -3.579 -3.883 1.222 1.00 0.00 S ATOM 547 CE MET A 566 -2.550 -2.988 0.071 1.00 0.00 C ATOM 0 H MET A 566 -6.317 -3.402 3.271 1.00 0.00 H new ATOM 0 HA MET A 566 -6.405 -2.332 0.842 1.00 0.00 H new ATOM 0 HB2 MET A 566 -5.945 -4.941 1.969 1.00 0.00 H new ATOM 0 HB3 MET A 566 -6.894 -5.172 0.514 1.00 0.00 H new ATOM 0 HG2 MET A 566 -4.765 -5.135 -0.429 1.00 0.00 H new ATOM 0 HG3 MET A 566 -5.143 -3.426 -0.524 1.00 0.00 H new ATOM 0 HE1 MET A 566 -1.514 -3.021 0.407 1.00 0.00 H new ATOM 0 HE2 MET A 566 -2.626 -3.444 -0.916 1.00 0.00 H new ATOM 0 HE3 MET A 566 -2.881 -1.951 0.018 1.00 0.00 H new ATOM 557 N GLN A 567 -8.520 -2.415 -0.385 1.00 0.00 N ATOM 558 CA GLN A 567 -9.793 -2.360 -1.083 1.00 0.00 C ATOM 559 C GLN A 567 -9.767 -3.277 -2.308 1.00 0.00 C ATOM 560 O GLN A 567 -9.045 -3.015 -3.268 1.00 0.00 O ATOM 561 CB GLN A 567 -10.139 -0.924 -1.481 1.00 0.00 C ATOM 562 CG GLN A 567 -11.073 -0.280 -0.454 1.00 0.00 C ATOM 563 CD GLN A 567 -12.532 -0.377 -0.904 1.00 0.00 C ATOM 564 OE1 GLN A 567 -13.086 0.532 -1.501 1.00 0.00 O ATOM 565 NE2 GLN A 567 -13.121 -1.526 -0.586 1.00 0.00 N ATOM 0 H GLN A 567 -7.798 -1.803 -0.765 1.00 0.00 H new ATOM 0 HA GLN A 567 -10.571 -2.712 -0.406 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -9.225 -0.336 -1.566 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -10.613 -0.919 -2.462 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -10.953 -0.772 0.511 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -10.800 0.766 -0.315 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -12.599 -2.245 -0.085 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -14.095 -1.688 -0.843 1.00 0.00 H new ATOM 574 N ASP A 568 -10.563 -4.333 -2.233 1.00 0.00 N ATOM 575 CA ASP A 568 -10.640 -5.290 -3.324 1.00 0.00 C ATOM 576 C ASP A 568 -10.569 -4.544 -4.657 1.00 0.00 C ATOM 577 O ASP A 568 -11.083 -3.434 -4.780 1.00 0.00 O ATOM 578 CB ASP A 568 -11.959 -6.064 -3.285 1.00 0.00 C ATOM 579 CG ASP A 568 -11.815 -7.587 -3.271 1.00 0.00 C ATOM 580 OD1 ASP A 568 -11.077 -8.152 -2.449 1.00 0.00 O ATOM 581 OD2 ASP A 568 -12.510 -8.209 -4.163 1.00 0.00 O ATOM 0 H ASP A 568 -11.160 -4.547 -1.434 1.00 0.00 H new ATOM 0 HA ASP A 568 -9.809 -5.988 -3.220 1.00 0.00 H new ATOM 0 HB2 ASP A 568 -12.516 -5.759 -2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 568 -12.556 -5.779 -4.151 1.00 0.00 H new ATOM 587 N ALA A 569 -9.927 -5.185 -5.624 1.00 0.00 N ATOM 588 CA ALA A 569 -9.781 -4.596 -6.944 1.00 0.00 C ATOM 589 C ALA A 569 -10.952 -5.035 -7.826 1.00 0.00 C ATOM 590 O ALA A 569 -12.079 -5.164 -7.349 1.00 0.00 O ATOM 591 CB ALA A 569 -8.426 -4.991 -7.533 1.00 0.00 C ATOM 0 H ALA A 569 -9.502 -6.106 -5.519 1.00 0.00 H new ATOM 0 HA ALA A 569 -9.804 -3.508 -6.883 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -8.317 -4.549 -8.523 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -7.628 -4.630 -6.884 1.00 0.00 H new ATOM 0 HB3 ALA A 569 -8.366 -6.076 -7.612 1.00 0.00 H new ATOM 597 N GLU A 570 -10.645 -5.254 -9.096 1.00 0.00 N ATOM 598 CA GLU A 570 -11.657 -5.677 -10.048 1.00 0.00 C ATOM 599 C GLU A 570 -11.178 -6.908 -10.820 1.00 0.00 C ATOM 600 O GLU A 570 -11.808 -7.318 -11.795 1.00 0.00 O ATOM 601 CB GLU A 570 -12.021 -4.539 -11.004 1.00 0.00 C ATOM 602 CG GLU A 570 -10.849 -4.203 -11.928 1.00 0.00 C ATOM 603 CD GLU A 570 -10.847 -2.717 -12.294 1.00 0.00 C ATOM 604 OE1 GLU A 570 -11.703 -2.270 -13.071 1.00 0.00 O ATOM 605 OE2 GLU A 570 -9.914 -2.020 -11.740 1.00 0.00 O ATOM 0 H GLU A 570 -9.709 -5.146 -9.488 1.00 0.00 H new ATOM 0 HA GLU A 570 -12.557 -5.946 -9.495 1.00 0.00 H new ATOM 0 HB2 GLU A 570 -12.888 -4.823 -11.600 1.00 0.00 H new ATOM 0 HB3 GLU A 570 -12.303 -3.655 -10.432 1.00 0.00 H new ATOM 0 HG2 GLU A 570 -9.910 -4.462 -11.439 1.00 0.00 H new ATOM 0 HG3 GLU A 570 -10.912 -4.804 -12.835 1.00 0.00 H new ATOM 613 N ILE A 571 -10.069 -7.465 -10.355 1.00 0.00 N ATOM 614 CA ILE A 571 -9.499 -8.641 -10.989 1.00 0.00 C ATOM 615 C ILE A 571 -10.273 -9.882 -10.541 1.00 0.00 C ATOM 616 O ILE A 571 -11.191 -10.327 -11.227 1.00 0.00 O ATOM 617 CB ILE A 571 -7.996 -8.721 -10.717 1.00 0.00 C ATOM 618 CG1 ILE A 571 -7.289 -7.439 -11.162 1.00 0.00 C ATOM 619 CG2 ILE A 571 -7.387 -9.966 -11.364 1.00 0.00 C ATOM 620 CD1 ILE A 571 -7.476 -7.203 -12.662 1.00 0.00 C ATOM 0 H ILE A 571 -9.550 -7.123 -9.546 1.00 0.00 H new ATOM 0 HA ILE A 571 -9.600 -8.577 -12.072 1.00 0.00 H new ATOM 0 HB ILE A 571 -7.848 -8.813 -9.641 1.00 0.00 H new ATOM 0 HG12 ILE A 571 -7.683 -6.589 -10.604 1.00 0.00 H new ATOM 0 HG13 ILE A 571 -6.226 -7.506 -10.930 1.00 0.00 H new ATOM 0 HG21 ILE A 571 -6.318 -9.998 -11.155 1.00 0.00 H new ATOM 0 HG22 ILE A 571 -7.863 -10.858 -10.957 1.00 0.00 H new ATOM 0 HG23 ILE A 571 -7.545 -9.930 -12.442 1.00 0.00 H new ATOM 0 HD11 ILE A 571 -6.964 -6.286 -12.953 1.00 0.00 H new ATOM 0 HD12 ILE A 571 -7.059 -8.043 -13.217 1.00 0.00 H new ATOM 0 HD13 ILE A 571 -8.539 -7.112 -12.886 1.00 0.00 H new ATOM 632 N SER A 572 -9.872 -10.406 -9.391 1.00 0.00 N ATOM 633 CA SER A 572 -10.516 -11.588 -8.843 1.00 0.00 C ATOM 634 C SER A 572 -9.663 -12.174 -7.716 1.00 0.00 C ATOM 635 O SER A 572 -8.779 -12.993 -7.964 1.00 0.00 O ATOM 636 CB SER A 572 -10.756 -12.639 -9.929 1.00 0.00 C ATOM 637 OG SER A 572 -12.144 -12.882 -10.139 1.00 0.00 O ATOM 0 H SER A 572 -9.110 -10.034 -8.824 1.00 0.00 H new ATOM 0 HA SER A 572 -11.485 -11.293 -8.441 1.00 0.00 H new ATOM 0 HB2 SER A 572 -10.301 -12.307 -10.862 1.00 0.00 H new ATOM 0 HB3 SER A 572 -10.263 -13.570 -9.648 1.00 0.00 H new ATOM 0 HG SER A 572 -12.542 -12.119 -10.608 1.00 0.00 H new ATOM 643 N GLY A 573 -9.957 -11.730 -6.503 1.00 0.00 N ATOM 644 CA GLY A 573 -9.228 -12.200 -5.337 1.00 0.00 C ATOM 645 C GLY A 573 -8.037 -11.290 -5.032 1.00 0.00 C ATOM 646 O GLY A 573 -7.226 -11.594 -4.158 1.00 0.00 O ATOM 0 H GLY A 573 -10.690 -11.050 -6.302 1.00 0.00 H new ATOM 0 HA2 GLY A 573 -9.895 -12.233 -4.476 1.00 0.00 H new ATOM 0 HA3 GLY A 573 -8.878 -13.218 -5.508 1.00 0.00 H new ATOM 650 N TYR A 574 -7.969 -10.190 -5.768 1.00 0.00 N ATOM 651 CA TYR A 574 -6.891 -9.233 -5.586 1.00 0.00 C ATOM 652 C TYR A 574 -7.377 -7.998 -4.824 1.00 0.00 C ATOM 653 O TYR A 574 -8.566 -7.685 -4.837 1.00 0.00 O ATOM 654 CB TYR A 574 -6.459 -8.813 -6.992 1.00 0.00 C ATOM 655 CG TYR A 574 -5.023 -9.205 -7.346 1.00 0.00 C ATOM 656 CD1 TYR A 574 -3.964 -8.498 -6.814 1.00 0.00 C ATOM 657 CD2 TYR A 574 -4.787 -10.266 -8.196 1.00 0.00 C ATOM 658 CE1 TYR A 574 -2.613 -8.868 -7.147 1.00 0.00 C ATOM 659 CE2 TYR A 574 -3.436 -10.636 -8.529 1.00 0.00 C ATOM 660 CZ TYR A 574 -2.415 -9.918 -7.988 1.00 0.00 C ATOM 661 OH TYR A 574 -1.139 -10.267 -8.302 1.00 0.00 O ATOM 0 H TYR A 574 -8.643 -9.940 -6.492 1.00 0.00 H new ATOM 0 HA TYR A 574 -6.076 -9.676 -5.013 1.00 0.00 H new ATOM 0 HB2 TYR A 574 -7.137 -9.262 -7.718 1.00 0.00 H new ATOM 0 HB3 TYR A 574 -6.563 -7.732 -7.085 1.00 0.00 H new ATOM 0 HD1 TYR A 574 -4.148 -7.668 -6.148 1.00 0.00 H new ATOM 0 HD2 TYR A 574 -5.616 -10.819 -8.612 1.00 0.00 H new ATOM 0 HE1 TYR A 574 -1.775 -8.323 -6.738 1.00 0.00 H new ATOM 0 HE2 TYR A 574 -3.238 -11.464 -9.193 1.00 0.00 H new ATOM 0 HH TYR A 574 -1.150 -11.035 -8.911 1.00 0.00 H new ATOM 671 N ALA A 575 -6.431 -7.330 -4.180 1.00 0.00 N ATOM 672 CA ALA A 575 -6.748 -6.137 -3.414 1.00 0.00 C ATOM 673 C ALA A 575 -6.052 -4.931 -4.046 1.00 0.00 C ATOM 674 O ALA A 575 -5.056 -5.084 -4.753 1.00 0.00 O ATOM 675 CB ALA A 575 -6.342 -6.345 -1.953 1.00 0.00 C ATOM 0 H ALA A 575 -5.445 -7.592 -4.173 1.00 0.00 H new ATOM 0 HA ALA A 575 -7.821 -5.945 -3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 575 -6.580 -5.450 -1.378 1.00 0.00 H new ATOM 0 HB2 ALA A 575 -6.886 -7.195 -1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 575 -5.271 -6.538 -1.897 1.00 0.00 H new ATOM 681 N LYS A 576 -6.602 -3.758 -3.770 1.00 0.00 N ATOM 682 CA LYS A 576 -6.046 -2.526 -4.304 1.00 0.00 C ATOM 683 C LYS A 576 -6.408 -1.364 -3.376 1.00 0.00 C ATOM 684 O LYS A 576 -7.523 -1.302 -2.859 1.00 0.00 O ATOM 685 CB LYS A 576 -6.494 -2.319 -5.752 1.00 0.00 C ATOM 686 CG LYS A 576 -7.931 -1.795 -5.812 1.00 0.00 C ATOM 687 CD LYS A 576 -8.285 -1.327 -7.225 1.00 0.00 C ATOM 688 CE LYS A 576 -8.273 0.200 -7.316 1.00 0.00 C ATOM 689 NZ LYS A 576 -9.077 0.657 -8.471 1.00 0.00 N ATOM 0 H LYS A 576 -7.427 -3.634 -3.183 1.00 0.00 H new ATOM 0 HA LYS A 576 -4.958 -2.582 -4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 576 -5.825 -1.614 -6.246 1.00 0.00 H new ATOM 0 HB3 LYS A 576 -6.423 -3.261 -6.296 1.00 0.00 H new ATOM 0 HG2 LYS A 576 -8.621 -2.579 -5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 576 -8.050 -0.969 -5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 576 -7.574 -1.743 -7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 576 -9.270 -1.704 -7.501 1.00 0.00 H new ATOM 0 HE2 LYS A 576 -8.671 0.628 -6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 576 -7.248 0.556 -7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 576 -9.058 1.696 -8.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 576 -8.680 0.264 -9.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 576 -10.059 0.333 -8.360 1.00 0.00 H new ATOM 702 N ILE A 577 -5.446 -0.472 -3.194 1.00 0.00 N ATOM 703 CA ILE A 577 -5.649 0.684 -2.337 1.00 0.00 C ATOM 704 C ILE A 577 -5.174 1.943 -3.066 1.00 0.00 C ATOM 705 O ILE A 577 -4.230 1.889 -3.853 1.00 0.00 O ATOM 706 CB ILE A 577 -4.979 0.469 -0.979 1.00 0.00 C ATOM 707 CG1 ILE A 577 -3.758 1.377 -0.820 1.00 0.00 C ATOM 708 CG2 ILE A 577 -4.629 -1.005 -0.767 1.00 0.00 C ATOM 709 CD1 ILE A 577 -2.748 1.139 -1.946 1.00 0.00 C ATOM 0 H ILE A 577 -4.523 -0.526 -3.625 1.00 0.00 H new ATOM 0 HA ILE A 577 -6.709 0.819 -2.124 1.00 0.00 H new ATOM 0 HB ILE A 577 -5.690 0.746 -0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 577 -4.073 2.420 -0.824 1.00 0.00 H new ATOM 0 HG13 ILE A 577 -3.284 1.190 0.144 1.00 0.00 H new ATOM 0 HG21 ILE A 577 -4.154 -1.130 0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 577 -5.539 -1.604 -0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 577 -3.945 -1.333 -1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 577 -1.890 1.797 -1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 577 -2.417 0.101 -1.924 1.00 0.00 H new ATOM 0 HD13 ILE A 577 -3.218 1.350 -2.907 1.00 0.00 H new ATOM 721 N THR A 578 -5.848 3.046 -2.776 1.00 0.00 N ATOM 722 CA THR A 578 -5.506 4.316 -3.393 1.00 0.00 C ATOM 723 C THR A 578 -5.191 5.362 -2.322 1.00 0.00 C ATOM 724 O THR A 578 -5.910 5.477 -1.331 1.00 0.00 O ATOM 725 CB THR A 578 -6.658 4.719 -4.316 1.00 0.00 C ATOM 726 OG1 THR A 578 -6.789 3.617 -5.210 1.00 0.00 O ATOM 727 CG2 THR A 578 -6.297 5.895 -5.225 1.00 0.00 C ATOM 0 H THR A 578 -6.629 3.086 -2.122 1.00 0.00 H new ATOM 0 HA THR A 578 -4.602 4.232 -3.996 1.00 0.00 H new ATOM 0 HB THR A 578 -7.529 4.979 -3.715 1.00 0.00 H new ATOM 0 HG1 THR A 578 -7.516 3.794 -5.843 1.00 0.00 H new ATOM 0 HG21 THR A 578 -7.149 6.140 -5.859 1.00 0.00 H new ATOM 0 HG22 THR A 578 -6.038 6.760 -4.615 1.00 0.00 H new ATOM 0 HG23 THR A 578 -5.446 5.624 -5.850 1.00 0.00 H new ATOM 735 N VAL A 579 -4.115 6.098 -2.558 1.00 0.00 N ATOM 736 CA VAL A 579 -3.695 7.130 -1.626 1.00 0.00 C ATOM 737 C VAL A 579 -3.452 8.433 -2.390 1.00 0.00 C ATOM 738 O VAL A 579 -2.595 8.490 -3.270 1.00 0.00 O ATOM 739 CB VAL A 579 -2.469 6.660 -0.841 1.00 0.00 C ATOM 740 CG1 VAL A 579 -2.252 7.522 0.405 1.00 0.00 C ATOM 741 CG2 VAL A 579 -2.590 5.181 -0.470 1.00 0.00 C ATOM 0 H VAL A 579 -3.521 6.000 -3.382 1.00 0.00 H new ATOM 0 HA VAL A 579 -4.478 7.324 -0.893 1.00 0.00 H new ATOM 0 HB VAL A 579 -1.596 6.774 -1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 579 -1.374 7.167 0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 579 -2.100 8.560 0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 579 -3.127 7.455 1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 579 -1.706 4.872 0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 579 -3.477 5.032 0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 579 -2.673 4.584 -1.378 1.00 0.00 H new ATOM 751 N ASP A 580 -4.222 9.448 -2.025 1.00 0.00 N ATOM 752 CA ASP A 580 -4.101 10.747 -2.666 1.00 0.00 C ATOM 753 C ASP A 580 -3.005 11.555 -1.968 1.00 0.00 C ATOM 754 O ASP A 580 -2.782 11.398 -0.768 1.00 0.00 O ATOM 755 CB ASP A 580 -5.408 11.535 -2.563 1.00 0.00 C ATOM 756 CG ASP A 580 -5.338 12.974 -3.079 1.00 0.00 C ATOM 757 OD1 ASP A 580 -6.079 13.361 -3.995 1.00 0.00 O ATOM 758 OD2 ASP A 580 -4.465 13.721 -2.493 1.00 0.00 O ATOM 0 H ASP A 580 -4.932 9.397 -1.294 1.00 0.00 H new ATOM 0 HA ASP A 580 -3.860 10.584 -3.716 1.00 0.00 H new ATOM 0 HB2 ASP A 580 -6.180 11.003 -3.119 1.00 0.00 H new ATOM 0 HB3 ASP A 580 -5.722 11.554 -1.519 1.00 0.00 H new ATOM 764 N ILE A 581 -2.350 12.401 -2.749 1.00 0.00 N ATOM 765 CA ILE A 581 -1.283 13.234 -2.220 1.00 0.00 C ATOM 766 C ILE A 581 -1.547 14.693 -2.597 1.00 0.00 C ATOM 767 O ILE A 581 -1.229 15.603 -1.833 1.00 0.00 O ATOM 768 CB ILE A 581 0.080 12.716 -2.684 1.00 0.00 C ATOM 769 CG1 ILE A 581 0.087 12.463 -4.192 1.00 0.00 C ATOM 770 CG2 ILE A 581 0.492 11.473 -1.892 1.00 0.00 C ATOM 771 CD1 ILE A 581 1.261 11.568 -4.593 1.00 0.00 C ATOM 0 H ILE A 581 -2.537 12.528 -3.744 1.00 0.00 H new ATOM 0 HA ILE A 581 -1.264 13.184 -1.131 1.00 0.00 H new ATOM 0 HB ILE A 581 0.824 13.487 -2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 581 -0.851 11.994 -4.490 1.00 0.00 H new ATOM 0 HG13 ILE A 581 0.151 13.413 -4.723 1.00 0.00 H new ATOM 0 HG21 ILE A 581 1.464 11.125 -2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 581 0.554 11.721 -0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 581 -0.249 10.687 -2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 581 1.242 11.404 -5.670 1.00 0.00 H new ATOM 0 HD12 ILE A 581 2.198 12.051 -4.316 1.00 0.00 H new ATOM 0 HD13 ILE A 581 1.181 10.610 -4.079 1.00 0.00 H new ATOM 783 N GLY A 582 -2.126 14.872 -3.776 1.00 0.00 N ATOM 784 CA GLY A 582 -2.436 16.205 -4.263 1.00 0.00 C ATOM 785 C GLY A 582 -1.210 16.851 -4.910 1.00 0.00 C ATOM 786 O GLY A 582 -1.272 17.305 -6.052 1.00 0.00 O ATOM 0 H GLY A 582 -2.388 14.115 -4.408 1.00 0.00 H new ATOM 0 HA2 GLY A 582 -3.248 16.151 -4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 582 -2.785 16.825 -3.438 1.00 0.00 H new ATOM 790 N SER A 583 -0.123 16.872 -4.152 1.00 0.00 N ATOM 791 CA SER A 583 1.117 17.455 -4.637 1.00 0.00 C ATOM 792 C SER A 583 2.273 16.475 -4.429 1.00 0.00 C ATOM 793 O SER A 583 3.071 16.249 -5.337 1.00 0.00 O ATOM 794 CB SER A 583 1.412 18.782 -3.936 1.00 0.00 C ATOM 795 OG SER A 583 1.042 19.903 -4.736 1.00 0.00 O ATOM 0 H SER A 583 -0.075 16.495 -3.206 1.00 0.00 H new ATOM 0 HA SER A 583 1.007 17.655 -5.703 1.00 0.00 H new ATOM 0 HB2 SER A 583 0.874 18.819 -2.989 1.00 0.00 H new ATOM 0 HB3 SER A 583 2.475 18.839 -3.701 1.00 0.00 H new ATOM 0 HG SER A 583 1.245 20.731 -4.253 1.00 0.00 H new ATOM 801 N ALA A 584 2.326 15.920 -3.227 1.00 0.00 N ATOM 802 CA ALA A 584 3.372 14.970 -2.887 1.00 0.00 C ATOM 803 C ALA A 584 3.667 14.087 -4.101 1.00 0.00 C ATOM 804 O ALA A 584 2.751 13.682 -4.816 1.00 0.00 O ATOM 805 CB ALA A 584 2.944 14.156 -1.664 1.00 0.00 C ATOM 0 H ALA A 584 1.662 16.110 -2.477 1.00 0.00 H new ATOM 0 HA ALA A 584 4.294 15.490 -2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 584 3.728 13.443 -1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 584 2.775 14.827 -0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 584 2.024 13.617 -1.889 1.00 0.00 H new ATOM 811 N SER A 585 4.949 13.815 -4.297 1.00 0.00 N ATOM 812 CA SER A 585 5.376 12.987 -5.413 1.00 0.00 C ATOM 813 C SER A 585 5.960 11.672 -4.895 1.00 0.00 C ATOM 814 O SER A 585 6.479 10.871 -5.671 1.00 0.00 O ATOM 815 CB SER A 585 6.402 13.719 -6.280 1.00 0.00 C ATOM 816 OG SER A 585 7.589 14.029 -5.555 1.00 0.00 O ATOM 0 H SER A 585 5.706 14.153 -3.702 1.00 0.00 H new ATOM 0 HA SER A 585 4.505 12.771 -6.032 1.00 0.00 H new ATOM 0 HB2 SER A 585 6.655 13.102 -7.142 1.00 0.00 H new ATOM 0 HB3 SER A 585 5.961 14.639 -6.665 1.00 0.00 H new ATOM 0 HG SER A 585 8.220 14.494 -6.143 1.00 0.00 H new ATOM 822 N GLN A 586 5.856 11.490 -3.586 1.00 0.00 N ATOM 823 CA GLN A 586 6.368 10.285 -2.956 1.00 0.00 C ATOM 824 C GLN A 586 5.490 9.896 -1.764 1.00 0.00 C ATOM 825 O GLN A 586 5.065 10.756 -0.995 1.00 0.00 O ATOM 826 CB GLN A 586 7.825 10.467 -2.527 1.00 0.00 C ATOM 827 CG GLN A 586 8.779 10.153 -3.682 1.00 0.00 C ATOM 828 CD GLN A 586 10.237 10.306 -3.245 1.00 0.00 C ATOM 829 OE1 GLN A 586 10.968 9.343 -3.083 1.00 0.00 O ATOM 830 NE2 GLN A 586 10.618 11.568 -3.063 1.00 0.00 N ATOM 0 H GLN A 586 5.425 12.157 -2.945 1.00 0.00 H new ATOM 0 HA GLN A 586 6.337 9.476 -3.685 1.00 0.00 H new ATOM 0 HB2 GLN A 586 7.983 11.491 -2.188 1.00 0.00 H new ATOM 0 HB3 GLN A 586 8.044 9.814 -1.682 1.00 0.00 H new ATOM 0 HG2 GLN A 586 8.606 9.136 -4.035 1.00 0.00 H new ATOM 0 HG3 GLN A 586 8.574 10.820 -4.519 1.00 0.00 H new ATOM 0 HE21 GLN A 586 9.955 12.328 -3.216 1.00 0.00 H new ATOM 0 HE22 GLN A 586 11.573 11.775 -2.770 1.00 0.00 H new ATOM 839 N LEU A 587 5.245 8.599 -1.649 1.00 0.00 N ATOM 840 CA LEU A 587 4.426 8.086 -0.564 1.00 0.00 C ATOM 841 C LEU A 587 4.899 6.678 -0.196 1.00 0.00 C ATOM 842 O LEU A 587 5.139 5.851 -1.074 1.00 0.00 O ATOM 843 CB LEU A 587 2.943 8.160 -0.930 1.00 0.00 C ATOM 844 CG LEU A 587 1.958 8.078 0.238 1.00 0.00 C ATOM 845 CD1 LEU A 587 0.831 9.101 0.078 1.00 0.00 C ATOM 846 CD2 LEU A 587 1.421 6.655 0.403 1.00 0.00 C ATOM 0 H LEU A 587 5.599 7.888 -2.289 1.00 0.00 H new ATOM 0 HA LEU A 587 4.542 8.705 0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 587 2.767 9.095 -1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 587 2.720 7.350 -1.625 1.00 0.00 H new ATOM 0 HG LEU A 587 2.493 8.329 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 587 0.145 9.022 0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 587 1.253 10.105 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 587 0.291 8.906 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 587 0.723 6.624 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 587 0.907 6.352 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 587 2.250 5.974 0.596 1.00 0.00 H new ATOM 858 N GLU A 588 5.018 6.449 1.104 1.00 0.00 N ATOM 859 CA GLU A 588 5.457 5.155 1.599 1.00 0.00 C ATOM 860 C GLU A 588 4.255 4.322 2.046 1.00 0.00 C ATOM 861 O GLU A 588 3.296 4.856 2.600 1.00 0.00 O ATOM 862 CB GLU A 588 6.466 5.318 2.738 1.00 0.00 C ATOM 863 CG GLU A 588 5.936 6.274 3.807 1.00 0.00 C ATOM 864 CD GLU A 588 6.672 7.615 3.758 1.00 0.00 C ATOM 865 OE1 GLU A 588 7.440 7.934 4.677 1.00 0.00 O ATOM 866 OE2 GLU A 588 6.424 8.335 2.717 1.00 0.00 O ATOM 0 H GLU A 588 4.818 7.138 1.829 1.00 0.00 H new ATOM 0 HA GLU A 588 5.957 4.627 0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 588 6.675 4.346 3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 588 7.409 5.696 2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 588 4.868 6.436 3.658 1.00 0.00 H new ATOM 0 HG3 GLU A 588 6.056 5.825 4.793 1.00 0.00 H new ATOM 874 N ALA A 589 4.346 3.025 1.789 1.00 0.00 N ATOM 875 CA ALA A 589 3.277 2.112 2.158 1.00 0.00 C ATOM 876 C ALA A 589 3.872 0.903 2.882 1.00 0.00 C ATOM 877 O ALA A 589 4.869 0.337 2.436 1.00 0.00 O ATOM 878 CB ALA A 589 2.491 1.714 0.907 1.00 0.00 C ATOM 0 H ALA A 589 5.143 2.585 1.330 1.00 0.00 H new ATOM 0 HA ALA A 589 2.579 2.595 2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 589 1.689 1.029 1.184 1.00 0.00 H new ATOM 0 HB2 ALA A 589 2.064 2.605 0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 589 3.159 1.224 0.199 1.00 0.00 H new ATOM 884 N ALA A 590 3.237 0.544 3.988 1.00 0.00 N ATOM 885 CA ALA A 590 3.691 -0.587 4.779 1.00 0.00 C ATOM 886 C ALA A 590 2.586 -1.645 4.829 1.00 0.00 C ATOM 887 O ALA A 590 1.418 -1.339 4.595 1.00 0.00 O ATOM 888 CB ALA A 590 4.101 -0.105 6.172 1.00 0.00 C ATOM 0 H ALA A 590 2.411 1.017 4.355 1.00 0.00 H new ATOM 0 HA ALA A 590 4.568 -1.047 4.323 1.00 0.00 H new ATOM 0 HB1 ALA A 590 4.441 -0.954 6.765 1.00 0.00 H new ATOM 0 HB2 ALA A 590 4.908 0.622 6.082 1.00 0.00 H new ATOM 0 HB3 ALA A 590 3.246 0.360 6.662 1.00 0.00 H new ATOM 894 N PHE A 591 2.995 -2.867 5.136 1.00 0.00 N ATOM 895 CA PHE A 591 2.055 -3.972 5.220 1.00 0.00 C ATOM 896 C PHE A 591 2.043 -4.575 6.626 1.00 0.00 C ATOM 897 O PHE A 591 3.092 -4.926 7.164 1.00 0.00 O ATOM 898 CB PHE A 591 2.525 -5.035 4.226 1.00 0.00 C ATOM 899 CG PHE A 591 3.235 -4.467 2.995 1.00 0.00 C ATOM 900 CD1 PHE A 591 2.787 -3.317 2.423 1.00 0.00 C ATOM 901 CD2 PHE A 591 4.313 -5.111 2.474 1.00 0.00 C ATOM 902 CE1 PHE A 591 3.446 -2.789 1.281 1.00 0.00 C ATOM 903 CE2 PHE A 591 4.972 -4.583 1.333 1.00 0.00 C ATOM 904 CZ PHE A 591 4.525 -3.434 0.760 1.00 0.00 C ATOM 0 H PHE A 591 3.965 -3.116 5.330 1.00 0.00 H new ATOM 0 HA PHE A 591 1.048 -3.622 4.995 1.00 0.00 H new ATOM 0 HB2 PHE A 591 3.200 -5.722 4.737 1.00 0.00 H new ATOM 0 HB3 PHE A 591 1.664 -5.618 3.899 1.00 0.00 H new ATOM 0 HD1 PHE A 591 1.931 -2.806 2.837 1.00 0.00 H new ATOM 0 HD2 PHE A 591 4.668 -6.024 2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 591 3.091 -1.876 0.826 1.00 0.00 H new ATOM 0 HE2 PHE A 591 5.829 -5.094 0.920 1.00 0.00 H new ATOM 0 HZ PHE A 591 5.026 -3.033 -0.109 1.00 0.00 H new ATOM 914 N ASN A 592 0.844 -4.677 7.181 1.00 0.00 N ATOM 915 CA ASN A 592 0.681 -5.232 8.514 1.00 0.00 C ATOM 916 C ASN A 592 -0.659 -5.965 8.596 1.00 0.00 C ATOM 917 O ASN A 592 -1.671 -5.474 8.098 1.00 0.00 O ATOM 918 CB ASN A 592 0.683 -4.129 9.574 1.00 0.00 C ATOM 919 CG ASN A 592 -0.557 -3.241 9.443 1.00 0.00 C ATOM 920 OD1 ASN A 592 -0.699 -2.461 8.516 1.00 0.00 O ATOM 921 ND2 ASN A 592 -1.443 -3.403 10.421 1.00 0.00 N ATOM 0 H ASN A 592 -0.024 -4.385 6.732 1.00 0.00 H new ATOM 0 HA ASN A 592 1.512 -5.912 8.700 1.00 0.00 H new ATOM 0 HB2 ASN A 592 0.712 -4.575 10.568 1.00 0.00 H new ATOM 0 HB3 ASN A 592 1.582 -3.522 9.471 1.00 0.00 H new ATOM 0 HD21 ASN A 592 -2.304 -2.856 10.425 1.00 0.00 H new ATOM 0 HD22 ASN A 592 -1.262 -4.074 11.168 1.00 0.00 H new ATOM 928 N ASP A 593 -0.624 -7.129 9.229 1.00 0.00 N ATOM 929 CA ASP A 593 -1.823 -7.934 9.383 1.00 0.00 C ATOM 930 C ASP A 593 -2.709 -7.320 10.469 1.00 0.00 C ATOM 931 O ASP A 593 -3.931 -7.453 10.427 1.00 0.00 O ATOM 932 CB ASP A 593 -1.477 -9.363 9.807 1.00 0.00 C ATOM 933 CG ASP A 593 -0.803 -9.485 11.175 1.00 0.00 C ATOM 934 OD1 ASP A 593 0.092 -8.698 11.520 1.00 0.00 O ATOM 935 OD2 ASP A 593 -1.237 -10.451 11.912 1.00 0.00 O ATOM 0 H ASP A 593 0.217 -7.533 9.641 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.338 -7.958 8.423 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -2.392 -9.955 9.815 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -0.821 -9.801 9.055 1.00 0.00 H new ATOM 941 N GLY A 594 -2.058 -6.660 11.416 1.00 0.00 N ATOM 942 CA GLY A 594 -2.771 -6.025 12.511 1.00 0.00 C ATOM 943 C GLY A 594 -2.594 -6.813 13.810 1.00 0.00 C ATOM 944 O GLY A 594 -3.563 -7.064 14.525 1.00 0.00 O ATOM 0 H GLY A 594 -1.044 -6.551 11.447 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -2.405 -5.007 12.646 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -3.831 -5.953 12.267 1.00 0.00 H new ATOM 948 N ASN A 595 -1.349 -7.181 14.077 1.00 0.00 N ATOM 949 CA ASN A 595 -1.032 -7.935 15.278 1.00 0.00 C ATOM 950 C ASN A 595 0.471 -7.846 15.549 1.00 0.00 C ATOM 951 O ASN A 595 0.890 -7.700 16.697 1.00 0.00 O ATOM 952 CB ASN A 595 -1.396 -9.412 15.113 1.00 0.00 C ATOM 953 CG ASN A 595 -1.742 -10.045 16.462 1.00 0.00 C ATOM 954 OD1 ASN A 595 -2.704 -9.683 17.119 1.00 0.00 O ATOM 955 ND2 ASN A 595 -0.906 -11.009 16.837 1.00 0.00 N ATOM 0 H ASN A 595 -0.548 -6.971 13.482 1.00 0.00 H new ATOM 0 HA ASN A 595 -1.605 -7.512 16.103 1.00 0.00 H new ATOM 0 HB2 ASN A 595 -2.243 -9.508 14.434 1.00 0.00 H new ATOM 0 HB3 ASN A 595 -0.562 -9.947 14.659 1.00 0.00 H new ATOM 0 HD21 ASN A 595 -1.051 -11.494 17.722 1.00 0.00 H new ATOM 0 HD22 ASN A 595 -0.120 -11.263 16.239 1.00 0.00 H new ATOM 962 N ASN A 596 1.240 -7.936 14.475 1.00 0.00 N ATOM 963 CA ASN A 596 2.688 -7.868 14.583 1.00 0.00 C ATOM 964 C ASN A 596 3.312 -8.199 13.226 1.00 0.00 C ATOM 965 O ASN A 596 4.393 -7.710 12.900 1.00 0.00 O ATOM 966 CB ASN A 596 3.212 -8.879 15.604 1.00 0.00 C ATOM 967 CG ASN A 596 3.552 -8.193 16.929 1.00 0.00 C ATOM 968 OD1 ASN A 596 4.051 -7.081 16.972 1.00 0.00 O ATOM 969 ND2 ASN A 596 3.255 -8.917 18.005 1.00 0.00 N ATOM 0 H ASN A 596 0.888 -8.055 13.525 1.00 0.00 H new ATOM 0 HA ASN A 596 2.956 -6.861 14.903 1.00 0.00 H new ATOM 0 HB2 ASN A 596 2.463 -9.653 15.773 1.00 0.00 H new ATOM 0 HB3 ASN A 596 4.099 -9.374 15.209 1.00 0.00 H new ATOM 0 HD21 ASN A 596 3.444 -8.547 18.937 1.00 0.00 H new ATOM 0 HD22 ASN A 596 2.838 -9.842 17.898 1.00 0.00 H new ATOM 976 N ASN A 597 2.605 -9.028 12.472 1.00 0.00 N ATOM 977 CA ASN A 597 3.077 -9.430 11.158 1.00 0.00 C ATOM 978 C ASN A 597 3.246 -8.189 10.279 1.00 0.00 C ATOM 979 O ASN A 597 2.319 -7.791 9.575 1.00 0.00 O ATOM 980 CB ASN A 597 2.073 -10.361 10.473 1.00 0.00 C ATOM 981 CG ASN A 597 2.767 -11.611 9.930 1.00 0.00 C ATOM 982 OD1 ASN A 597 3.059 -12.553 10.649 1.00 0.00 O ATOM 983 ND2 ASN A 597 3.015 -11.568 8.624 1.00 0.00 N ATOM 0 H ASN A 597 1.709 -9.432 12.746 1.00 0.00 H new ATOM 0 HA ASN A 597 4.025 -9.953 11.286 1.00 0.00 H new ATOM 0 HB2 ASN A 597 1.297 -10.650 11.182 1.00 0.00 H new ATOM 0 HB3 ASN A 597 1.579 -9.832 9.658 1.00 0.00 H new ATOM 0 HD21 ASN A 597 3.476 -12.354 8.166 1.00 0.00 H new ATOM 0 HD22 ASN A 597 2.744 -10.749 8.080 1.00 0.00 H new ATOM 990 N TRP A 598 4.437 -7.612 10.349 1.00 0.00 N ATOM 991 CA TRP A 598 4.739 -6.424 9.569 1.00 0.00 C ATOM 992 C TRP A 598 5.810 -6.794 8.540 1.00 0.00 C ATOM 993 O TRP A 598 6.669 -7.633 8.808 1.00 0.00 O ATOM 994 CB TRP A 598 5.156 -5.264 10.475 1.00 0.00 C ATOM 995 CG TRP A 598 3.983 -4.536 11.134 1.00 0.00 C ATOM 996 CD1 TRP A 598 3.005 -5.059 11.886 1.00 0.00 C ATOM 997 CD2 TRP A 598 3.702 -3.122 11.068 1.00 0.00 C ATOM 998 NE1 TRP A 598 2.118 -4.090 12.308 1.00 0.00 N ATOM 999 CE2 TRP A 598 2.556 -2.874 11.795 1.00 0.00 C ATOM 1000 CE3 TRP A 598 4.394 -2.086 10.416 1.00 0.00 C ATOM 1001 CZ2 TRP A 598 2.000 -1.597 11.939 1.00 0.00 C ATOM 1002 CZ3 TRP A 598 3.826 -0.816 10.569 1.00 0.00 C ATOM 1003 CH2 TRP A 598 2.673 -0.550 11.298 1.00 0.00 C ATOM 0 H TRP A 598 5.204 -7.945 10.934 1.00 0.00 H new ATOM 0 HA TRP A 598 3.853 -6.075 9.039 1.00 0.00 H new ATOM 0 HB2 TRP A 598 5.818 -5.644 11.253 1.00 0.00 H new ATOM 0 HB3 TRP A 598 5.732 -4.548 9.889 1.00 0.00 H new ATOM 0 HD1 TRP A 598 2.921 -6.108 12.131 1.00 0.00 H new ATOM 0 HE1 TRP A 598 1.293 -4.238 12.889 1.00 0.00 H new ATOM 0 HE3 TRP A 598 5.293 -2.257 9.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 598 1.101 -1.429 12.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 598 4.318 0.016 10.087 1.00 0.00 H new ATOM 0 HH2 TRP A 598 2.298 0.460 11.370 1.00 0.00 H new ATOM 1014 N ASP A 599 5.724 -6.150 7.386 1.00 0.00 N ATOM 1015 CA ASP A 599 6.675 -6.400 6.316 1.00 0.00 C ATOM 1016 C ASP A 599 7.406 -5.100 5.974 1.00 0.00 C ATOM 1017 O ASP A 599 8.062 -5.007 4.938 1.00 0.00 O ATOM 1018 CB ASP A 599 5.966 -6.891 5.053 1.00 0.00 C ATOM 1019 CG ASP A 599 5.477 -8.340 5.107 1.00 0.00 C ATOM 1020 OD1 ASP A 599 4.286 -8.620 4.905 1.00 0.00 O ATOM 1021 OD2 ASP A 599 6.389 -9.213 5.372 1.00 0.00 O ATOM 0 H ASP A 599 5.010 -5.455 7.168 1.00 0.00 H new ATOM 0 HA ASP A 599 7.373 -7.164 6.657 1.00 0.00 H new ATOM 0 HB2 ASP A 599 5.112 -6.242 4.859 1.00 0.00 H new ATOM 0 HB3 ASP A 599 6.646 -6.784 4.208 1.00 0.00 H new ATOM 1027 N SER A 600 7.267 -4.129 6.864 1.00 0.00 N ATOM 1028 CA SER A 600 7.905 -2.838 6.669 1.00 0.00 C ATOM 1029 C SER A 600 9.425 -2.987 6.760 1.00 0.00 C ATOM 1030 O SER A 600 10.094 -3.188 5.748 1.00 0.00 O ATOM 1031 CB SER A 600 7.409 -1.818 7.695 1.00 0.00 C ATOM 1032 OG SER A 600 7.700 -2.219 9.031 1.00 0.00 O ATOM 0 H SER A 600 6.722 -4.210 7.722 1.00 0.00 H new ATOM 0 HA SER A 600 7.641 -2.472 5.677 1.00 0.00 H new ATOM 0 HB2 SER A 600 7.872 -0.851 7.498 1.00 0.00 H new ATOM 0 HB3 SER A 600 6.333 -1.685 7.583 1.00 0.00 H new ATOM 0 HG SER A 600 7.369 -1.541 9.656 1.00 0.00 H new ATOM 1038 N ASN A 601 9.925 -2.883 7.983 1.00 0.00 N ATOM 1039 CA ASN A 601 11.354 -3.004 8.219 1.00 0.00 C ATOM 1040 C ASN A 601 11.664 -2.597 9.661 1.00 0.00 C ATOM 1041 O ASN A 601 12.176 -3.400 10.440 1.00 0.00 O ATOM 1042 CB ASN A 601 12.146 -2.084 7.288 1.00 0.00 C ATOM 1043 CG ASN A 601 13.263 -2.852 6.579 1.00 0.00 C ATOM 1044 OD1 ASN A 601 13.048 -3.881 5.960 1.00 0.00 O ATOM 1045 ND2 ASN A 601 14.465 -2.297 6.703 1.00 0.00 N ATOM 0 H ASN A 601 9.367 -2.716 8.820 1.00 0.00 H new ATOM 0 HA ASN A 601 11.640 -4.039 8.032 1.00 0.00 H new ATOM 0 HB2 ASN A 601 11.476 -1.644 6.549 1.00 0.00 H new ATOM 0 HB3 ASN A 601 12.573 -1.261 7.861 1.00 0.00 H new ATOM 0 HD21 ASN A 601 15.276 -2.734 6.266 1.00 0.00 H new ATOM 0 HD22 ASN A 601 14.576 -1.434 7.235 1.00 0.00 H new ATOM 1052 N ASN A 602 11.340 -1.351 9.974 1.00 0.00 N ATOM 1053 CA ASN A 602 11.578 -0.828 11.308 1.00 0.00 C ATOM 1054 C ASN A 602 11.487 0.699 11.277 1.00 0.00 C ATOM 1055 O ASN A 602 10.962 1.313 12.204 1.00 0.00 O ATOM 1056 CB ASN A 602 12.972 -1.208 11.809 1.00 0.00 C ATOM 1057 CG ASN A 602 12.886 -2.088 13.058 1.00 0.00 C ATOM 1058 OD1 ASN A 602 12.139 -3.051 13.120 1.00 0.00 O ATOM 1059 ND2 ASN A 602 13.688 -1.703 14.047 1.00 0.00 N ATOM 0 H ASN A 602 10.914 -0.688 9.326 1.00 0.00 H new ATOM 0 HA ASN A 602 10.827 -1.253 11.974 1.00 0.00 H new ATOM 0 HB2 ASN A 602 13.513 -1.737 11.024 1.00 0.00 H new ATOM 0 HB3 ASN A 602 13.540 -0.305 12.034 1.00 0.00 H new ATOM 0 HD21 ASN A 602 13.703 -2.224 14.924 1.00 0.00 H new ATOM 0 HD22 ASN A 602 14.288 -0.887 13.928 1.00 0.00 H new ATOM 1066 N THR A 603 12.007 1.269 10.199 1.00 0.00 N ATOM 1067 CA THR A 603 11.992 2.712 10.035 1.00 0.00 C ATOM 1068 C THR A 603 12.571 3.100 8.673 1.00 0.00 C ATOM 1069 O THR A 603 13.250 4.119 8.550 1.00 0.00 O ATOM 1070 CB THR A 603 12.745 3.331 11.214 1.00 0.00 C ATOM 1071 OG1 THR A 603 12.189 4.637 11.334 1.00 0.00 O ATOM 1072 CG2 THR A 603 14.222 3.582 10.899 1.00 0.00 C ATOM 0 H THR A 603 12.441 0.757 9.431 1.00 0.00 H new ATOM 0 HA THR A 603 10.973 3.100 10.043 1.00 0.00 H new ATOM 0 HB THR A 603 12.665 2.674 12.080 1.00 0.00 H new ATOM 0 HG1 THR A 603 12.224 5.089 10.465 1.00 0.00 H new ATOM 0 HG21 THR A 603 14.710 4.022 11.769 1.00 0.00 H new ATOM 0 HG22 THR A 603 14.706 2.638 10.650 1.00 0.00 H new ATOM 0 HG23 THR A 603 14.303 4.265 10.054 1.00 0.00 H new ATOM 1080 N LYS A 604 12.282 2.267 7.684 1.00 0.00 N ATOM 1081 CA LYS A 604 12.766 2.510 6.335 1.00 0.00 C ATOM 1082 C LYS A 604 11.840 1.818 5.334 1.00 0.00 C ATOM 1083 O LYS A 604 12.280 0.968 4.560 1.00 0.00 O ATOM 1084 CB LYS A 604 14.232 2.091 6.209 1.00 0.00 C ATOM 1085 CG LYS A 604 15.159 3.306 6.288 1.00 0.00 C ATOM 1086 CD LYS A 604 15.540 3.797 4.890 1.00 0.00 C ATOM 1087 CE LYS A 604 16.783 4.687 4.942 1.00 0.00 C ATOM 1088 NZ LYS A 604 18.005 3.862 5.071 1.00 0.00 N ATOM 0 H LYS A 604 11.719 1.423 7.790 1.00 0.00 H new ATOM 0 HA LYS A 604 12.742 3.576 6.107 1.00 0.00 H new ATOM 0 HB2 LYS A 604 14.482 1.386 7.002 1.00 0.00 H new ATOM 0 HB3 LYS A 604 14.386 1.573 5.262 1.00 0.00 H new ATOM 0 HG2 LYS A 604 14.667 4.108 6.837 1.00 0.00 H new ATOM 0 HG3 LYS A 604 16.060 3.045 6.844 1.00 0.00 H new ATOM 0 HD2 LYS A 604 15.727 2.943 4.239 1.00 0.00 H new ATOM 0 HD3 LYS A 604 14.708 4.352 4.456 1.00 0.00 H new ATOM 0 HE2 LYS A 604 16.841 5.295 4.039 1.00 0.00 H new ATOM 0 HE3 LYS A 604 16.710 5.375 5.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 18.845 4.467 4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 18.019 3.405 6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 18.012 3.133 4.329 1.00 0.00 H new ATOM 1101 N ASN A 605 10.574 2.207 5.380 1.00 0.00 N ATOM 1102 CA ASN A 605 9.582 1.635 4.486 1.00 0.00 C ATOM 1103 C ASN A 605 10.004 1.884 3.036 1.00 0.00 C ATOM 1104 O ASN A 605 11.182 2.100 2.757 1.00 0.00 O ATOM 1105 CB ASN A 605 8.212 2.281 4.697 1.00 0.00 C ATOM 1106 CG ASN A 605 7.910 2.453 6.187 1.00 0.00 C ATOM 1107 OD1 ASN A 605 7.394 1.567 6.849 1.00 0.00 O ATOM 1108 ND2 ASN A 605 8.260 3.639 6.677 1.00 0.00 N ATOM 0 H ASN A 605 10.213 2.912 6.023 1.00 0.00 H new ATOM 0 HA ASN A 605 9.514 0.568 4.698 1.00 0.00 H new ATOM 0 HB2 ASN A 605 8.184 3.252 4.202 1.00 0.00 H new ATOM 0 HB3 ASN A 605 7.441 1.665 4.235 1.00 0.00 H new ATOM 0 HD21 ASN A 605 8.100 3.851 7.662 1.00 0.00 H new ATOM 0 HD22 ASN A 605 8.688 4.336 6.068 1.00 0.00 H new ATOM 1115 N TYR A 606 9.018 1.846 2.152 1.00 0.00 N ATOM 1116 CA TYR A 606 9.272 2.065 0.738 1.00 0.00 C ATOM 1117 C TYR A 606 8.799 3.454 0.305 1.00 0.00 C ATOM 1118 O TYR A 606 8.003 4.086 0.997 1.00 0.00 O ATOM 1119 CB TYR A 606 8.456 1.006 -0.006 1.00 0.00 C ATOM 1120 CG TYR A 606 8.663 -0.418 0.513 1.00 0.00 C ATOM 1121 CD1 TYR A 606 9.937 -0.940 0.606 1.00 0.00 C ATOM 1122 CD2 TYR A 606 7.576 -1.181 0.889 1.00 0.00 C ATOM 1123 CE1 TYR A 606 10.132 -2.281 1.095 1.00 0.00 C ATOM 1124 CE2 TYR A 606 7.771 -2.521 1.377 1.00 0.00 C ATOM 1125 CZ TYR A 606 9.040 -3.005 1.457 1.00 0.00 C ATOM 1126 OH TYR A 606 9.224 -4.271 1.918 1.00 0.00 O ATOM 0 H TYR A 606 8.042 1.667 2.387 1.00 0.00 H new ATOM 0 HA TYR A 606 10.339 1.997 0.524 1.00 0.00 H new ATOM 0 HB2 TYR A 606 7.398 1.259 0.069 1.00 0.00 H new ATOM 0 HB3 TYR A 606 8.717 1.038 -1.064 1.00 0.00 H new ATOM 0 HD1 TYR A 606 10.788 -0.343 0.312 1.00 0.00 H new ATOM 0 HD2 TYR A 606 6.579 -0.772 0.817 1.00 0.00 H new ATOM 0 HE1 TYR A 606 11.124 -2.702 1.172 1.00 0.00 H new ATOM 0 HE2 TYR A 606 6.929 -3.129 1.673 1.00 0.00 H new ATOM 0 HH TYR A 606 8.823 -4.357 2.808 1.00 0.00 H new ATOM 1136 N LEU A 607 9.310 3.887 -0.839 1.00 0.00 N ATOM 1137 CA LEU A 607 8.949 5.190 -1.373 1.00 0.00 C ATOM 1138 C LEU A 607 8.548 5.041 -2.841 1.00 0.00 C ATOM 1139 O LEU A 607 9.341 4.583 -3.662 1.00 0.00 O ATOM 1140 CB LEU A 607 10.080 6.194 -1.143 1.00 0.00 C ATOM 1141 CG LEU A 607 10.148 6.821 0.251 1.00 0.00 C ATOM 1142 CD1 LEU A 607 11.599 7.053 0.678 1.00 0.00 C ATOM 1143 CD2 LEU A 607 9.320 8.106 0.315 1.00 0.00 C ATOM 0 H LEU A 607 9.970 3.359 -1.410 1.00 0.00 H new ATOM 0 HA LEU A 607 8.084 5.592 -0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 607 11.028 5.695 -1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 607 9.982 6.995 -1.876 1.00 0.00 H new ATOM 0 HG LEU A 607 9.711 6.120 0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 607 11.619 7.499 1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 607 12.129 6.101 0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 607 12.084 7.724 -0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 607 9.385 8.531 1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 607 9.705 8.823 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 607 8.279 7.880 0.084 1.00 0.00 H new ATOM 1155 N PHE A 608 7.316 5.437 -3.128 1.00 0.00 N ATOM 1156 CA PHE A 608 6.800 5.353 -4.484 1.00 0.00 C ATOM 1157 C PHE A 608 5.935 6.571 -4.817 1.00 0.00 C ATOM 1158 O PHE A 608 5.412 7.229 -3.920 1.00 0.00 O ATOM 1159 CB PHE A 608 5.935 4.093 -4.556 1.00 0.00 C ATOM 1160 CG PHE A 608 6.720 2.790 -4.394 1.00 0.00 C ATOM 1161 CD1 PHE A 608 7.837 2.572 -5.138 1.00 0.00 C ATOM 1162 CD2 PHE A 608 6.300 1.848 -3.507 1.00 0.00 C ATOM 1163 CE1 PHE A 608 8.566 1.362 -4.988 1.00 0.00 C ATOM 1164 CE2 PHE A 608 7.028 0.639 -3.357 1.00 0.00 C ATOM 1165 CZ PHE A 608 8.146 0.421 -4.101 1.00 0.00 C ATOM 0 H PHE A 608 6.661 5.817 -2.445 1.00 0.00 H new ATOM 0 HA PHE A 608 7.625 5.321 -5.195 1.00 0.00 H new ATOM 0 HB2 PHE A 608 5.171 4.144 -3.780 1.00 0.00 H new ATOM 0 HB3 PHE A 608 5.415 4.076 -5.514 1.00 0.00 H new ATOM 0 HD1 PHE A 608 8.170 3.319 -5.843 1.00 0.00 H new ATOM 0 HD2 PHE A 608 5.412 2.020 -2.917 1.00 0.00 H new ATOM 0 HE1 PHE A 608 9.454 1.190 -5.578 1.00 0.00 H new ATOM 0 HE2 PHE A 608 6.694 -0.108 -2.652 1.00 0.00 H new ATOM 0 HZ PHE A 608 8.700 -0.499 -3.987 1.00 0.00 H new ATOM 1175 N SER A 609 5.812 6.833 -6.110 1.00 0.00 N ATOM 1176 CA SER A 609 5.020 7.959 -6.573 1.00 0.00 C ATOM 1177 C SER A 609 3.759 7.458 -7.279 1.00 0.00 C ATOM 1178 O SER A 609 3.673 6.287 -7.645 1.00 0.00 O ATOM 1179 CB SER A 609 5.832 8.855 -7.511 1.00 0.00 C ATOM 1180 OG SER A 609 5.200 10.114 -7.728 1.00 0.00 O ATOM 0 H SER A 609 6.248 6.284 -6.851 1.00 0.00 H new ATOM 0 HA SER A 609 4.731 8.553 -5.706 1.00 0.00 H new ATOM 0 HB2 SER A 609 6.824 9.016 -7.090 1.00 0.00 H new ATOM 0 HB3 SER A 609 5.969 8.349 -8.467 1.00 0.00 H new ATOM 0 HG SER A 609 5.655 10.804 -7.201 1.00 0.00 H new ATOM 1186 N THR A 610 2.812 8.368 -7.448 1.00 0.00 N ATOM 1187 CA THR A 610 1.559 8.033 -8.103 1.00 0.00 C ATOM 1188 C THR A 610 1.809 7.088 -9.280 1.00 0.00 C ATOM 1189 O THR A 610 2.921 7.021 -9.802 1.00 0.00 O ATOM 1190 CB THR A 610 0.872 9.339 -8.508 1.00 0.00 C ATOM 1191 OG1 THR A 610 1.839 10.003 -9.317 1.00 0.00 O ATOM 1192 CG2 THR A 610 0.666 10.284 -7.322 1.00 0.00 C ATOM 0 H THR A 610 2.887 9.338 -7.142 1.00 0.00 H new ATOM 0 HA THR A 610 0.893 7.494 -7.429 1.00 0.00 H new ATOM 0 HB THR A 610 -0.092 9.116 -8.966 1.00 0.00 H new ATOM 0 HG1 THR A 610 1.476 10.860 -9.625 1.00 0.00 H new ATOM 0 HG21 THR A 610 0.175 11.195 -7.664 1.00 0.00 H new ATOM 0 HG22 THR A 610 0.044 9.796 -6.572 1.00 0.00 H new ATOM 0 HG23 THR A 610 1.632 10.535 -6.884 1.00 0.00 H new ATOM 1200 N GLY A 611 0.757 6.381 -9.664 1.00 0.00 N ATOM 1201 CA GLY A 611 0.848 5.442 -10.769 1.00 0.00 C ATOM 1202 C GLY A 611 0.288 4.074 -10.375 1.00 0.00 C ATOM 1203 O GLY A 611 -0.755 3.989 -9.729 1.00 0.00 O ATOM 0 H GLY A 611 -0.164 6.440 -9.229 1.00 0.00 H new ATOM 0 HA2 GLY A 611 0.299 5.830 -11.627 1.00 0.00 H new ATOM 0 HA3 GLY A 611 1.888 5.338 -11.077 1.00 0.00 H new ATOM 1207 N THR A 612 1.006 3.037 -10.781 1.00 0.00 N ATOM 1208 CA THR A 612 0.594 1.677 -10.478 1.00 0.00 C ATOM 1209 C THR A 612 1.728 0.917 -9.788 1.00 0.00 C ATOM 1210 O THR A 612 2.866 0.936 -10.254 1.00 0.00 O ATOM 1211 CB THR A 612 0.128 1.023 -11.780 1.00 0.00 C ATOM 1212 OG1 THR A 612 -0.916 1.876 -12.243 1.00 0.00 O ATOM 1213 CG2 THR A 612 -0.564 -0.321 -11.546 1.00 0.00 C ATOM 0 H THR A 612 1.870 3.111 -11.317 1.00 0.00 H new ATOM 0 HA THR A 612 -0.239 1.664 -9.775 1.00 0.00 H new ATOM 0 HB THR A 612 0.983 0.880 -12.440 1.00 0.00 H new ATOM 0 HG1 THR A 612 -1.275 1.526 -13.085 1.00 0.00 H new ATOM 0 HG21 THR A 612 -0.875 -0.742 -12.502 1.00 0.00 H new ATOM 0 HG22 THR A 612 0.128 -1.006 -11.056 1.00 0.00 H new ATOM 0 HG23 THR A 612 -1.439 -0.174 -10.913 1.00 0.00 H new ATOM 1221 N SER A 613 1.378 0.266 -8.689 1.00 0.00 N ATOM 1222 CA SER A 613 2.353 -0.500 -7.930 1.00 0.00 C ATOM 1223 C SER A 613 1.711 -1.781 -7.394 1.00 0.00 C ATOM 1224 O SER A 613 0.490 -1.859 -7.263 1.00 0.00 O ATOM 1225 CB SER A 613 2.928 0.328 -6.778 1.00 0.00 C ATOM 1226 OG SER A 613 1.924 1.095 -6.120 1.00 0.00 O ATOM 0 H SER A 613 0.433 0.253 -8.305 1.00 0.00 H new ATOM 0 HA SER A 613 3.174 -0.765 -8.597 1.00 0.00 H new ATOM 0 HB2 SER A 613 3.407 -0.336 -6.058 1.00 0.00 H new ATOM 0 HB3 SER A 613 3.701 0.994 -7.161 1.00 0.00 H new ATOM 0 HG SER A 613 1.045 0.871 -6.491 1.00 0.00 H new ATOM 1232 N THR A 614 2.561 -2.753 -7.100 1.00 0.00 N ATOM 1233 CA THR A 614 2.092 -4.026 -6.582 1.00 0.00 C ATOM 1234 C THR A 614 2.950 -4.468 -5.395 1.00 0.00 C ATOM 1235 O THR A 614 4.137 -4.751 -5.554 1.00 0.00 O ATOM 1236 CB THR A 614 2.085 -5.032 -7.734 1.00 0.00 C ATOM 1237 OG1 THR A 614 1.440 -4.337 -8.798 1.00 0.00 O ATOM 1238 CG2 THR A 614 1.170 -6.228 -7.462 1.00 0.00 C ATOM 0 H THR A 614 3.573 -2.684 -7.211 1.00 0.00 H new ATOM 0 HA THR A 614 1.076 -3.945 -6.196 1.00 0.00 H new ATOM 0 HB THR A 614 3.101 -5.385 -7.913 1.00 0.00 H new ATOM 0 HG1 THR A 614 2.054 -4.261 -9.558 1.00 0.00 H new ATOM 0 HG21 THR A 614 1.202 -6.911 -8.311 1.00 0.00 H new ATOM 0 HG22 THR A 614 1.507 -6.748 -6.565 1.00 0.00 H new ATOM 0 HG23 THR A 614 0.148 -5.878 -7.316 1.00 0.00 H new ATOM 1246 N TYR A 615 2.317 -4.514 -4.232 1.00 0.00 N ATOM 1247 CA TYR A 615 3.008 -4.917 -3.019 1.00 0.00 C ATOM 1248 C TYR A 615 2.714 -6.380 -2.680 1.00 0.00 C ATOM 1249 O TYR A 615 1.576 -6.734 -2.376 1.00 0.00 O ATOM 1250 CB TYR A 615 2.456 -4.027 -1.904 1.00 0.00 C ATOM 1251 CG TYR A 615 1.822 -4.801 -0.746 1.00 0.00 C ATOM 1252 CD1 TYR A 615 2.594 -5.651 0.020 1.00 0.00 C ATOM 1253 CD2 TYR A 615 0.479 -4.649 -0.468 1.00 0.00 C ATOM 1254 CE1 TYR A 615 1.998 -6.380 1.109 1.00 0.00 C ATOM 1255 CE2 TYR A 615 -0.117 -5.378 0.622 1.00 0.00 C ATOM 1256 CZ TYR A 615 0.672 -6.207 1.357 1.00 0.00 C ATOM 1257 OH TYR A 615 0.108 -6.895 2.386 1.00 0.00 O ATOM 0 H TYR A 615 1.333 -4.279 -4.104 1.00 0.00 H new ATOM 0 HA TYR A 615 4.086 -4.815 -3.140 1.00 0.00 H new ATOM 0 HB2 TYR A 615 3.264 -3.407 -1.514 1.00 0.00 H new ATOM 0 HB3 TYR A 615 1.712 -3.352 -2.327 1.00 0.00 H new ATOM 0 HD1 TYR A 615 3.645 -5.769 -0.198 1.00 0.00 H new ATOM 0 HD2 TYR A 615 -0.125 -3.984 -1.067 1.00 0.00 H new ATOM 0 HE1 TYR A 615 2.590 -7.049 1.715 1.00 0.00 H new ATOM 0 HE2 TYR A 615 -1.167 -5.269 0.851 1.00 0.00 H new ATOM 0 HH TYR A 615 -0.708 -7.339 2.074 1.00 0.00 H new ATOM 1267 N THR A 616 3.760 -7.191 -2.745 1.00 0.00 N ATOM 1268 CA THR A 616 3.629 -8.607 -2.449 1.00 0.00 C ATOM 1269 C THR A 616 4.484 -8.980 -1.237 1.00 0.00 C ATOM 1270 O THR A 616 5.712 -8.991 -1.318 1.00 0.00 O ATOM 1271 CB THR A 616 3.991 -9.390 -3.713 1.00 0.00 C ATOM 1272 OG1 THR A 616 3.068 -8.917 -4.690 1.00 0.00 O ATOM 1273 CG2 THR A 616 3.671 -10.881 -3.589 1.00 0.00 C ATOM 0 H THR A 616 4.702 -6.894 -2.998 1.00 0.00 H new ATOM 0 HA THR A 616 2.605 -8.861 -2.175 1.00 0.00 H new ATOM 0 HB THR A 616 5.052 -9.263 -3.928 1.00 0.00 H new ATOM 0 HG1 THR A 616 3.233 -9.371 -5.543 1.00 0.00 H new ATOM 0 HG21 THR A 616 3.947 -11.390 -4.512 1.00 0.00 H new ATOM 0 HG22 THR A 616 4.234 -11.306 -2.758 1.00 0.00 H new ATOM 0 HG23 THR A 616 2.604 -11.010 -3.408 1.00 0.00 H new ATOM 1281 N PRO A 617 3.785 -9.286 -0.111 1.00 0.00 N ATOM 1282 CA PRO A 617 4.467 -9.659 1.116 1.00 0.00 C ATOM 1283 C PRO A 617 5.013 -11.085 1.027 1.00 0.00 C ATOM 1284 O PRO A 617 4.946 -11.715 -0.027 1.00 0.00 O ATOM 1285 CB PRO A 617 3.427 -9.488 2.212 1.00 0.00 C ATOM 1286 CG PRO A 617 2.079 -9.475 1.509 1.00 0.00 C ATOM 1287 CD PRO A 617 2.331 -9.283 0.022 1.00 0.00 C ATOM 0 HA PRO A 617 5.342 -9.041 1.316 1.00 0.00 H new ATOM 0 HB2 PRO A 617 3.483 -10.303 2.934 1.00 0.00 H new ATOM 0 HB3 PRO A 617 3.589 -8.562 2.763 1.00 0.00 H new ATOM 0 HG2 PRO A 617 1.546 -10.409 1.688 1.00 0.00 H new ATOM 0 HG3 PRO A 617 1.454 -8.671 1.897 1.00 0.00 H new ATOM 0 HD2 PRO A 617 1.878 -10.084 -0.563 1.00 0.00 H new ATOM 0 HD3 PRO A 617 1.903 -8.346 -0.335 1.00 0.00 H new ATOM 1295 N GLY A 618 5.542 -11.553 2.149 1.00 0.00 N ATOM 1296 CA GLY A 618 6.100 -12.893 2.211 1.00 0.00 C ATOM 1297 C GLY A 618 5.100 -13.875 2.825 1.00 0.00 C ATOM 1298 O GLY A 618 3.892 -13.646 2.780 1.00 0.00 O ATOM 0 H GLY A 618 5.596 -11.028 3.022 1.00 0.00 H new ATOM 0 HA2 GLY A 618 6.372 -13.224 1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 618 7.015 -12.883 2.803 1.00 0.00 H new ATOM 1302 N SER A 619 5.640 -14.949 3.383 1.00 0.00 N ATOM 1303 CA SER A 619 4.810 -15.967 4.005 1.00 0.00 C ATOM 1304 C SER A 619 4.829 -15.800 5.526 1.00 0.00 C ATOM 1305 O SER A 619 3.894 -16.212 6.210 1.00 0.00 O ATOM 1306 CB SER A 619 5.279 -17.371 3.619 1.00 0.00 C ATOM 1307 OG SER A 619 6.679 -17.541 3.823 1.00 0.00 O ATOM 0 H SER A 619 6.642 -15.136 3.417 1.00 0.00 H new ATOM 0 HA SER A 619 3.789 -15.843 3.645 1.00 0.00 H new ATOM 0 HB2 SER A 619 4.735 -18.110 4.207 1.00 0.00 H new ATOM 0 HB3 SER A 619 5.040 -17.558 2.572 1.00 0.00 H new ATOM 0 HG SER A 619 6.939 -18.450 3.567 1.00 0.00 H new ATOM 1313 N ASN A 620 5.904 -15.195 6.009 1.00 0.00 N ATOM 1314 CA ASN A 620 6.057 -14.969 7.437 1.00 0.00 C ATOM 1315 C ASN A 620 6.492 -13.522 7.675 1.00 0.00 C ATOM 1316 O ASN A 620 6.080 -12.618 6.950 1.00 0.00 O ATOM 1317 CB ASN A 620 7.126 -15.888 8.029 1.00 0.00 C ATOM 1318 CG ASN A 620 6.805 -16.238 9.483 1.00 0.00 C ATOM 1319 OD1 ASN A 620 5.696 -16.064 9.960 1.00 0.00 O ATOM 1320 ND2 ASN A 620 7.835 -16.740 10.159 1.00 0.00 N ATOM 0 H ASN A 620 6.677 -14.854 5.438 1.00 0.00 H new ATOM 0 HA ASN A 620 5.100 -15.176 7.916 1.00 0.00 H new ATOM 0 HB2 ASN A 620 7.193 -16.801 7.438 1.00 0.00 H new ATOM 0 HB3 ASN A 620 8.100 -15.401 7.975 1.00 0.00 H new ATOM 0 HD21 ASN A 620 7.722 -17.005 11.137 1.00 0.00 H new ATOM 0 HD22 ASN A 620 8.737 -16.860 9.699 1.00 0.00 H new ATOM 1327 N GLY A 621 7.320 -13.347 8.695 1.00 0.00 N ATOM 1328 CA GLY A 621 7.816 -12.025 9.038 1.00 0.00 C ATOM 1329 C GLY A 621 8.985 -11.626 8.135 1.00 0.00 C ATOM 1330 O GLY A 621 9.947 -11.013 8.594 1.00 0.00 O ATOM 0 H GLY A 621 7.660 -14.099 9.295 1.00 0.00 H new ATOM 0 HA2 GLY A 621 7.012 -11.295 8.942 1.00 0.00 H new ATOM 0 HA3 GLY A 621 8.136 -12.012 10.080 1.00 0.00 H new ATOM 1334 N ALA A 622 8.863 -11.991 6.867 1.00 0.00 N ATOM 1335 CA ALA A 622 9.897 -11.679 5.896 1.00 0.00 C ATOM 1336 C ALA A 622 9.358 -10.655 4.895 1.00 0.00 C ATOM 1337 O ALA A 622 8.587 -11.001 4.001 1.00 0.00 O ATOM 1338 CB ALA A 622 10.365 -12.968 5.216 1.00 0.00 C ATOM 0 H ALA A 622 8.063 -12.500 6.490 1.00 0.00 H new ATOM 0 HA ALA A 622 10.763 -11.236 6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 622 11.141 -12.734 4.487 1.00 0.00 H new ATOM 0 HB2 ALA A 622 10.765 -13.650 5.966 1.00 0.00 H new ATOM 0 HB3 ALA A 622 9.522 -13.439 4.710 1.00 0.00 H new ATOM 1344 N ALA A 623 9.786 -9.414 5.079 1.00 0.00 N ATOM 1345 CA ALA A 623 9.356 -8.337 4.203 1.00 0.00 C ATOM 1346 C ALA A 623 9.332 -8.839 2.758 1.00 0.00 C ATOM 1347 O ALA A 623 10.179 -9.638 2.361 1.00 0.00 O ATOM 1348 CB ALA A 623 10.279 -7.131 4.386 1.00 0.00 C ATOM 0 H ALA A 623 10.426 -9.131 5.821 1.00 0.00 H new ATOM 0 HA ALA A 623 8.346 -8.016 4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 623 9.957 -6.323 3.729 1.00 0.00 H new ATOM 0 HB2 ALA A 623 10.237 -6.795 5.422 1.00 0.00 H new ATOM 0 HB3 ALA A 623 11.302 -7.415 4.137 1.00 0.00 H new ATOM 1354 N GLY A 624 8.353 -8.350 2.011 1.00 0.00 N ATOM 1355 CA GLY A 624 8.208 -8.739 0.619 1.00 0.00 C ATOM 1356 C GLY A 624 8.869 -7.717 -0.308 1.00 0.00 C ATOM 1357 O GLY A 624 9.957 -7.222 -0.017 1.00 0.00 O ATOM 0 H GLY A 624 7.652 -7.688 2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 624 8.657 -9.720 0.463 1.00 0.00 H new ATOM 0 HA3 GLY A 624 7.150 -8.829 0.371 1.00 0.00 H new ATOM 1361 N THR A 625 8.183 -7.431 -1.405 1.00 0.00 N ATOM 1362 CA THR A 625 8.690 -6.476 -2.376 1.00 0.00 C ATOM 1363 C THR A 625 7.533 -5.808 -3.121 1.00 0.00 C ATOM 1364 O THR A 625 6.416 -6.325 -3.132 1.00 0.00 O ATOM 1365 CB THR A 625 9.664 -7.212 -3.299 1.00 0.00 C ATOM 1366 OG1 THR A 625 8.987 -8.424 -3.621 1.00 0.00 O ATOM 1367 CG2 THR A 625 10.927 -7.672 -2.569 1.00 0.00 C ATOM 0 H THR A 625 7.281 -7.844 -1.643 1.00 0.00 H new ATOM 0 HA THR A 625 9.232 -5.666 -1.888 1.00 0.00 H new ATOM 0 HB THR A 625 9.941 -6.561 -4.128 1.00 0.00 H new ATOM 0 HG1 THR A 625 9.547 -8.963 -4.218 1.00 0.00 H new ATOM 0 HG21 THR A 625 11.584 -8.188 -3.269 1.00 0.00 H new ATOM 0 HG22 THR A 625 11.445 -6.806 -2.157 1.00 0.00 H new ATOM 0 HG23 THR A 625 10.653 -8.350 -1.761 1.00 0.00 H new ATOM 1375 N ILE A 626 7.839 -4.670 -3.727 1.00 0.00 N ATOM 1376 CA ILE A 626 6.838 -3.927 -4.473 1.00 0.00 C ATOM 1377 C ILE A 626 7.291 -3.789 -5.928 1.00 0.00 C ATOM 1378 O ILE A 626 8.400 -3.328 -6.195 1.00 0.00 O ATOM 1379 CB ILE A 626 6.545 -2.589 -3.791 1.00 0.00 C ATOM 1380 CG1 ILE A 626 7.066 -2.582 -2.352 1.00 0.00 C ATOM 1381 CG2 ILE A 626 5.054 -2.252 -3.862 1.00 0.00 C ATOM 1382 CD1 ILE A 626 8.546 -2.197 -2.307 1.00 0.00 C ATOM 0 H ILE A 626 8.766 -4.245 -3.716 1.00 0.00 H new ATOM 0 HA ILE A 626 5.892 -4.468 -4.483 1.00 0.00 H new ATOM 0 HB ILE A 626 7.078 -1.806 -4.331 1.00 0.00 H new ATOM 0 HG12 ILE A 626 6.485 -1.879 -1.755 1.00 0.00 H new ATOM 0 HG13 ILE A 626 6.929 -3.568 -1.907 1.00 0.00 H new ATOM 0 HG21 ILE A 626 4.873 -1.296 -3.370 1.00 0.00 H new ATOM 0 HG22 ILE A 626 4.745 -2.187 -4.905 1.00 0.00 H new ATOM 0 HG23 ILE A 626 4.480 -3.032 -3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 626 8.891 -2.200 -1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 626 9.127 -2.916 -2.885 1.00 0.00 H new ATOM 0 HD13 ILE A 626 8.676 -1.201 -2.730 1.00 0.00 H new ATOM 1394 N ARG A 627 6.411 -4.196 -6.830 1.00 0.00 N ATOM 1395 CA ARG A 627 6.706 -4.123 -8.251 1.00 0.00 C ATOM 1396 C ARG A 627 5.752 -3.147 -8.942 1.00 0.00 C ATOM 1397 O ARG A 627 4.536 -3.248 -8.788 1.00 0.00 O ATOM 1398 CB ARG A 627 6.584 -5.498 -8.910 1.00 0.00 C ATOM 1399 CG ARG A 627 7.476 -5.593 -10.149 1.00 0.00 C ATOM 1400 CD ARG A 627 8.734 -6.413 -9.858 1.00 0.00 C ATOM 1401 NE ARG A 627 9.315 -6.915 -11.123 1.00 0.00 N ATOM 1402 CZ ARG A 627 10.321 -7.814 -11.190 1.00 0.00 C ATOM 1403 NH1 ARG A 627 10.866 -8.317 -10.063 1.00 0.00 N ATOM 1404 NH2 ARG A 627 10.763 -8.192 -12.375 1.00 0.00 N ATOM 0 H ARG A 627 5.492 -4.578 -6.605 1.00 0.00 H new ATOM 0 HA ARG A 627 7.732 -3.771 -8.359 1.00 0.00 H new ATOM 0 HB2 ARG A 627 6.863 -6.273 -8.196 1.00 0.00 H new ATOM 0 HB3 ARG A 627 5.546 -5.680 -9.190 1.00 0.00 H new ATOM 0 HG2 ARG A 627 6.920 -6.051 -10.967 1.00 0.00 H new ATOM 0 HG3 ARG A 627 7.758 -4.592 -10.476 1.00 0.00 H new ATOM 0 HD2 ARG A 627 9.464 -5.799 -9.331 1.00 0.00 H new ATOM 0 HD3 ARG A 627 8.489 -7.250 -9.203 1.00 0.00 H new ATOM 0 HE ARG A 627 8.932 -6.560 -11.999 1.00 0.00 H new ATOM 0 HH11 ARG A 627 10.519 -8.019 -9.151 1.00 0.00 H new ATOM 0 HH12 ARG A 627 11.625 -8.995 -10.122 1.00 0.00 H new ATOM 0 HH21 ARG A 627 10.346 -7.806 -13.222 1.00 0.00 H new ATOM 0 HH22 ARG A 627 11.522 -8.870 -12.444 1.00 0.00 H new ATOM 1417 N THR A 628 6.340 -2.224 -9.690 1.00 0.00 N ATOM 1418 CA THR A 628 5.557 -1.231 -10.405 1.00 0.00 C ATOM 1419 C THR A 628 4.909 -1.854 -11.643 1.00 0.00 C ATOM 1420 O THR A 628 5.477 -2.755 -12.259 1.00 0.00 O ATOM 1421 CB THR A 628 6.474 -0.050 -10.729 1.00 0.00 C ATOM 1422 OG1 THR A 628 7.704 -0.380 -10.089 1.00 0.00 O ATOM 1423 CG2 THR A 628 6.031 1.242 -10.039 1.00 0.00 C ATOM 0 H THR A 628 7.349 -2.143 -9.816 1.00 0.00 H new ATOM 0 HA THR A 628 4.732 -0.863 -9.795 1.00 0.00 H new ATOM 0 HB THR A 628 6.499 0.104 -11.808 1.00 0.00 H new ATOM 0 HG1 THR A 628 8.358 0.332 -10.249 1.00 0.00 H new ATOM 0 HG21 THR A 628 6.716 2.048 -10.302 1.00 0.00 H new ATOM 0 HG22 THR A 628 5.023 1.501 -10.364 1.00 0.00 H new ATOM 0 HG23 THR A 628 6.038 1.098 -8.959 1.00 0.00 H new ATOM 1431 N GLY A 629 3.729 -1.348 -11.971 1.00 0.00 N ATOM 1432 CA GLY A 629 2.997 -1.844 -13.125 1.00 0.00 C ATOM 1433 C GLY A 629 1.726 -2.577 -12.694 1.00 0.00 C ATOM 1434 O GLY A 629 1.734 -3.316 -11.710 1.00 0.00 O ATOM 0 H GLY A 629 3.262 -0.600 -11.458 1.00 0.00 H new ATOM 0 HA2 GLY A 629 2.737 -1.013 -13.780 1.00 0.00 H new ATOM 0 HA3 GLY A 629 3.632 -2.517 -13.701 1.00 0.00 H new ATOM 1438 N ALA A 630 0.663 -2.348 -13.452 1.00 0.00 N ATOM 1439 CA ALA A 630 -0.613 -2.978 -13.161 1.00 0.00 C ATOM 1440 C ALA A 630 -0.460 -4.498 -13.252 1.00 0.00 C ATOM 1441 O ALA A 630 -0.107 -5.028 -14.304 1.00 0.00 O ATOM 1442 CB ALA A 630 -1.678 -2.441 -14.119 1.00 0.00 C ATOM 0 H ALA A 630 0.660 -1.735 -14.267 1.00 0.00 H new ATOM 0 HA ALA A 630 -0.936 -2.740 -12.148 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -2.636 -2.914 -13.901 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -1.769 -1.362 -13.994 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -1.389 -2.664 -15.146 1.00 0.00 H new ATOM 1448 N PRO A 631 -0.740 -5.174 -12.105 1.00 0.00 N ATOM 1449 CA PRO A 631 -0.637 -6.622 -12.046 1.00 0.00 C ATOM 1450 C PRO A 631 -1.813 -7.285 -12.764 1.00 0.00 C ATOM 1451 O PRO A 631 -2.659 -6.602 -13.340 1.00 0.00 O ATOM 1452 CB PRO A 631 -0.584 -6.952 -10.563 1.00 0.00 C ATOM 1453 CG PRO A 631 -1.125 -5.727 -9.844 1.00 0.00 C ATOM 1454 CD PRO A 631 -1.160 -4.579 -10.840 1.00 0.00 C ATOM 0 HA PRO A 631 0.247 -7.002 -12.557 1.00 0.00 H new ATOM 0 HB2 PRO A 631 -1.184 -7.834 -10.337 1.00 0.00 H new ATOM 0 HB3 PRO A 631 0.436 -7.171 -10.248 1.00 0.00 H new ATOM 0 HG2 PRO A 631 -2.123 -5.924 -9.453 1.00 0.00 H new ATOM 0 HG3 PRO A 631 -0.493 -5.474 -8.992 1.00 0.00 H new ATOM 0 HD2 PRO A 631 -2.160 -4.151 -10.916 1.00 0.00 H new ATOM 0 HD3 PRO A 631 -0.490 -3.773 -10.539 1.00 0.00 H new ATOM 1462 N SER A 632 -1.829 -8.609 -12.708 1.00 0.00 N ATOM 1463 CA SER A 632 -2.888 -9.372 -13.347 1.00 0.00 C ATOM 1464 C SER A 632 -3.235 -8.753 -14.702 1.00 0.00 C ATOM 1465 O SER A 632 -4.369 -8.861 -15.166 1.00 0.00 O ATOM 1466 CB SER A 632 -4.132 -9.437 -12.459 1.00 0.00 C ATOM 1467 OG SER A 632 -3.817 -9.830 -11.126 1.00 0.00 O ATOM 0 H SER A 632 -1.126 -9.173 -12.230 1.00 0.00 H new ATOM 0 HA SER A 632 -2.531 -10.390 -13.501 1.00 0.00 H new ATOM 0 HB2 SER A 632 -4.618 -8.461 -12.444 1.00 0.00 H new ATOM 0 HB3 SER A 632 -4.845 -10.142 -12.886 1.00 0.00 H new ATOM 0 HG SER A 632 -3.470 -9.059 -10.631 1.00 0.00 H new ATOM 1473 N GLY A 633 -2.238 -8.118 -15.300 1.00 0.00 N ATOM 1474 CA GLY A 633 -2.423 -7.481 -16.592 1.00 0.00 C ATOM 1475 C GLY A 633 -1.097 -7.379 -17.349 1.00 0.00 C ATOM 1476 O GLY A 633 -0.590 -8.377 -17.859 1.00 0.00 O ATOM 0 H GLY A 633 -1.298 -8.031 -14.913 1.00 0.00 H new ATOM 0 HA2 GLY A 633 -3.140 -8.051 -17.183 1.00 0.00 H new ATOM 0 HA3 GLY A 633 -2.844 -6.485 -16.453 1.00 0.00 H new TER 1480 GLY A 633