USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=31 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= 1.22 USER MOD Set 1.2: A 610 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 -1:sc= 0.292! USER MOD Single : A 534 ASN : amide:sc= -1.87! C(o=-1.9!,f=-1.6!) USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 537 THR OG1 : rot 180:sc= 0 USER MOD Single : A 539 TYR OH : rot 84:sc= -0.545 USER MOD Single : A 540 TYR OH : rot 180:sc= 0 USER MOD Single : A 541 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 542 LYS NZ :NH3+ 167:sc= 0.00559 (180deg=0.00142) USER MOD Single : A 545 ASN : amide:sc= -0.0859 X(o=-0.086,f=0) USER MOD Single : A 546 SER OG : rot -3:sc= 0.927 USER MOD Single : A 548 TYR OH : rot 180:sc= 0 USER MOD Single : A 550 HIS : no HD1:sc= -4.04 X(o=-4,f=-3.7) USER MOD Single : A 551 TYR OH : rot 174:sc= -5.49! USER MOD Single : A 557 SER OG : rot 180:sc= -1.23 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 -110:sc= -5.57! (180deg=-9.92!) USER MOD Single : A 567 GLN : amide:sc= -0.233 K(o=-0.23,f=-2!) USER MOD Single : A 572 SER OG : rot 180:sc= 0 USER MOD Single : A 574 TYR OH : rot 180:sc= -0.0985 USER MOD Single : A 576 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 578 THR OG1 : rot 180:sc= 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=-0.23) USER MOD Single : A 592 ASN : amide:sc= -0.194 K(o=-0.19,f=-2.8) USER MOD Single : A 595 ASN : amide:sc= -0.0258 K(o=-0.026,f=-1.3) USER MOD Single : A 596 ASN : amide:sc= -0.508 K(o=-0.51,f=-1.7!) USER MOD Single : A 597 ASN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 600 SER OG : rot 180:sc= 0 USER MOD Single : A 601 ASN : amide:sc= -0.382 K(o=-0.38,f=-2!) USER MOD Single : A 602 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 603 THR OG1 : rot 8:sc= 1.02 USER MOD Single : A 604 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 605 ASN : amide:sc= -3! C(o=-3!,f=-3.2!) USER MOD Single : A 606 TYR OH : rot 30:sc= 0 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 170:sc= -1.12 USER MOD Single : A 615 TYR OH : rot 180:sc= 0 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= -0.0684 X(o=-0.068,f=0) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 628 THR OG1 : rot 180:sc= 0.187 USER MOD Single : A 632 SER OG : rot 54:sc= 0.00973 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 530 -5.515 20.115 1.301 1.00 0.00 N ATOM 2 CA GLY A 530 -6.966 20.178 1.266 1.00 0.00 C ATOM 3 C GLY A 530 -7.541 19.073 0.377 1.00 0.00 C ATOM 4 O GLY A 530 -7.515 17.899 0.745 1.00 0.00 O ATOM 0 HA2 GLY A 530 -7.362 20.080 2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 530 -7.283 21.152 0.893 1.00 0.00 H new ATOM 8 N GLY A 531 -8.047 19.487 -0.775 1.00 0.00 N ATOM 9 CA GLY A 531 -8.628 18.547 -1.719 1.00 0.00 C ATOM 10 C GLY A 531 -7.540 17.846 -2.534 1.00 0.00 C ATOM 11 O GLY A 531 -6.678 18.501 -3.119 1.00 0.00 O ATOM 0 H GLY A 531 -8.067 20.461 -1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 531 -9.220 17.806 -1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 531 -9.308 19.073 -2.389 1.00 0.00 H new ATOM 15 N THR A 532 -7.614 16.524 -2.548 1.00 0.00 N ATOM 16 CA THR A 532 -6.646 15.727 -3.282 1.00 0.00 C ATOM 17 C THR A 532 -6.622 16.141 -4.754 1.00 0.00 C ATOM 18 O THR A 532 -7.280 17.105 -5.143 1.00 0.00 O ATOM 19 CB THR A 532 -6.992 14.251 -3.072 1.00 0.00 C ATOM 20 OG1 THR A 532 -8.246 14.091 -3.731 1.00 0.00 O ATOM 21 CG2 THR A 532 -7.296 13.923 -1.609 1.00 0.00 C ATOM 0 H THR A 532 -8.330 15.984 -2.062 1.00 0.00 H new ATOM 0 HA THR A 532 -5.634 15.895 -2.913 1.00 0.00 H new ATOM 0 HB THR A 532 -6.165 13.632 -3.418 1.00 0.00 H new ATOM 0 HG1 THR A 532 -8.544 13.161 -3.646 1.00 0.00 H new ATOM 0 HG21 THR A 532 -7.535 12.864 -1.516 1.00 0.00 H new ATOM 0 HG22 THR A 532 -6.425 14.154 -0.996 1.00 0.00 H new ATOM 0 HG23 THR A 532 -8.145 14.518 -1.272 1.00 0.00 H new ATOM 29 N THR A 533 -5.855 15.393 -5.534 1.00 0.00 N ATOM 30 CA THR A 533 -5.735 15.671 -6.955 1.00 0.00 C ATOM 31 C THR A 533 -5.187 14.448 -7.693 1.00 0.00 C ATOM 32 O THR A 533 -5.675 14.095 -8.766 1.00 0.00 O ATOM 33 CB THR A 533 -4.868 16.920 -7.121 1.00 0.00 C ATOM 34 OG1 THR A 533 -5.706 17.985 -6.680 1.00 0.00 O ATOM 35 CG2 THR A 533 -4.590 17.249 -8.590 1.00 0.00 C ATOM 0 H THR A 533 -5.310 14.594 -5.208 1.00 0.00 H new ATOM 0 HA THR A 533 -6.708 15.872 -7.402 1.00 0.00 H new ATOM 0 HB THR A 533 -3.924 16.779 -6.595 1.00 0.00 H new ATOM 0 HG1 THR A 533 -6.580 17.627 -6.418 1.00 0.00 H new ATOM 0 HG21 THR A 533 -3.971 18.144 -8.652 1.00 0.00 H new ATOM 0 HG22 THR A 533 -4.068 16.414 -9.057 1.00 0.00 H new ATOM 0 HG23 THR A 533 -5.533 17.424 -9.108 1.00 0.00 H new ATOM 43 N ASN A 534 -4.180 13.834 -7.089 1.00 0.00 N ATOM 44 CA ASN A 534 -3.560 12.658 -7.676 1.00 0.00 C ATOM 45 C ASN A 534 -4.026 11.412 -6.921 1.00 0.00 C ATOM 46 O ASN A 534 -4.646 11.517 -5.864 1.00 0.00 O ATOM 47 CB ASN A 534 -2.035 12.731 -7.574 1.00 0.00 C ATOM 48 CG ASN A 534 -1.407 13.017 -8.940 1.00 0.00 C ATOM 49 OD1 ASN A 534 -0.606 13.922 -9.106 1.00 0.00 O ATOM 50 ND2 ASN A 534 -1.816 12.199 -9.905 1.00 0.00 N ATOM 0 H ASN A 534 -3.778 14.129 -6.199 1.00 0.00 H new ATOM 0 HA ASN A 534 -3.849 12.612 -8.726 1.00 0.00 H new ATOM 0 HB2 ASN A 534 -1.751 13.512 -6.869 1.00 0.00 H new ATOM 0 HB3 ASN A 534 -1.648 11.791 -7.181 1.00 0.00 H new ATOM 0 HD21 ASN A 534 -1.457 12.309 -10.853 1.00 0.00 H new ATOM 0 HD22 ASN A 534 -2.489 11.461 -9.697 1.00 0.00 H new ATOM 57 N LYS A 535 -3.708 10.260 -7.493 1.00 0.00 N ATOM 58 CA LYS A 535 -4.086 8.994 -6.888 1.00 0.00 C ATOM 59 C LYS A 535 -3.012 7.948 -7.191 1.00 0.00 C ATOM 60 O LYS A 535 -2.443 7.935 -8.281 1.00 0.00 O ATOM 61 CB LYS A 535 -5.490 8.583 -7.338 1.00 0.00 C ATOM 62 CG LYS A 535 -6.553 9.489 -6.714 1.00 0.00 C ATOM 63 CD LYS A 535 -7.831 8.705 -6.408 1.00 0.00 C ATOM 64 CE LYS A 535 -8.951 9.081 -7.380 1.00 0.00 C ATOM 65 NZ LYS A 535 -10.233 8.477 -6.952 1.00 0.00 N ATOM 0 H LYS A 535 -3.193 10.177 -8.369 1.00 0.00 H new ATOM 0 HA LYS A 535 -4.140 9.091 -5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 535 -5.557 8.633 -8.425 1.00 0.00 H new ATOM 0 HB3 LYS A 535 -5.678 7.547 -7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 535 -6.165 9.932 -5.797 1.00 0.00 H new ATOM 0 HG3 LYS A 535 -6.780 10.311 -7.393 1.00 0.00 H new ATOM 0 HD2 LYS A 535 -7.631 7.636 -6.475 1.00 0.00 H new ATOM 0 HD3 LYS A 535 -8.149 8.907 -5.385 1.00 0.00 H new ATOM 0 HE2 LYS A 535 -9.051 10.165 -7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 535 -8.699 8.740 -8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 -10.983 8.742 -7.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 -10.139 7.442 -6.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 -10.480 8.823 -6.003 1.00 0.00 H new ATOM 78 N VAL A 536 -2.767 7.095 -6.206 1.00 0.00 N ATOM 79 CA VAL A 536 -1.771 6.048 -6.354 1.00 0.00 C ATOM 80 C VAL A 536 -2.458 4.683 -6.277 1.00 0.00 C ATOM 81 O VAL A 536 -3.245 4.430 -5.366 1.00 0.00 O ATOM 82 CB VAL A 536 -0.669 6.222 -5.307 1.00 0.00 C ATOM 83 CG1 VAL A 536 0.626 5.542 -5.756 1.00 0.00 C ATOM 84 CG2 VAL A 536 -0.433 7.702 -5.001 1.00 0.00 C ATOM 0 H VAL A 536 -3.241 7.108 -5.303 1.00 0.00 H new ATOM 0 HA VAL A 536 -1.288 6.115 -7.329 1.00 0.00 H new ATOM 0 HB VAL A 536 -1.000 5.738 -4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 536 1.393 5.681 -4.994 1.00 0.00 H new ATOM 0 HG12 VAL A 536 0.446 4.477 -5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 536 0.963 5.984 -6.694 1.00 0.00 H new ATOM 0 HG21 VAL A 536 0.355 7.798 -4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -0.133 8.219 -5.913 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -1.352 8.145 -4.618 1.00 0.00 H new ATOM 94 N THR A 537 -2.135 3.838 -7.245 1.00 0.00 N ATOM 95 CA THR A 537 -2.711 2.505 -7.299 1.00 0.00 C ATOM 96 C THR A 537 -1.715 1.472 -6.769 1.00 0.00 C ATOM 97 O THR A 537 -0.606 1.351 -7.288 1.00 0.00 O ATOM 98 CB THR A 537 -3.155 2.239 -8.738 1.00 0.00 C ATOM 99 OG1 THR A 537 -4.160 3.221 -8.979 1.00 0.00 O ATOM 100 CG2 THR A 537 -3.893 0.907 -8.887 1.00 0.00 C ATOM 0 H THR A 537 -1.481 4.051 -7.999 1.00 0.00 H new ATOM 0 HA THR A 537 -3.587 2.426 -6.655 1.00 0.00 H new ATOM 0 HB THR A 537 -2.284 2.247 -9.393 1.00 0.00 H new ATOM 0 HG1 THR A 537 -4.502 3.122 -9.892 1.00 0.00 H new ATOM 0 HG21 THR A 537 -4.186 0.768 -9.928 1.00 0.00 H new ATOM 0 HG22 THR A 537 -3.237 0.092 -8.582 1.00 0.00 H new ATOM 0 HG23 THR A 537 -4.783 0.911 -8.257 1.00 0.00 H new ATOM 108 N VAL A 538 -2.145 0.753 -5.743 1.00 0.00 N ATOM 109 CA VAL A 538 -1.305 -0.266 -5.138 1.00 0.00 C ATOM 110 C VAL A 538 -2.057 -1.599 -5.123 1.00 0.00 C ATOM 111 O VAL A 538 -3.164 -1.685 -4.593 1.00 0.00 O ATOM 112 CB VAL A 538 -0.858 0.184 -3.746 1.00 0.00 C ATOM 113 CG1 VAL A 538 0.557 -0.312 -3.438 1.00 0.00 C ATOM 114 CG2 VAL A 538 -0.949 1.704 -3.605 1.00 0.00 C ATOM 0 H VAL A 538 -3.065 0.856 -5.315 1.00 0.00 H new ATOM 0 HA VAL A 538 -0.398 -0.412 -5.725 1.00 0.00 H new ATOM 0 HB VAL A 538 -1.535 -0.260 -3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 538 0.851 0.021 -2.443 1.00 0.00 H new ATOM 0 HG12 VAL A 538 0.577 -1.401 -3.476 1.00 0.00 H new ATOM 0 HG13 VAL A 538 1.252 0.090 -4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 538 -0.625 1.997 -2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 538 -0.307 2.177 -4.348 1.00 0.00 H new ATOM 0 HG23 VAL A 538 -1.980 2.023 -3.761 1.00 0.00 H new ATOM 124 N TYR A 539 -1.426 -2.604 -5.711 1.00 0.00 N ATOM 125 CA TYR A 539 -2.021 -3.928 -5.771 1.00 0.00 C ATOM 126 C TYR A 539 -1.228 -4.926 -4.924 1.00 0.00 C ATOM 127 O TYR A 539 -0.024 -5.089 -5.115 1.00 0.00 O ATOM 128 CB TYR A 539 -1.951 -4.355 -7.239 1.00 0.00 C ATOM 129 CG TYR A 539 -3.309 -4.388 -7.943 1.00 0.00 C ATOM 130 CD1 TYR A 539 -4.065 -3.237 -8.038 1.00 0.00 C ATOM 131 CD2 TYR A 539 -3.778 -5.568 -8.483 1.00 0.00 C ATOM 132 CE1 TYR A 539 -5.343 -3.268 -8.701 1.00 0.00 C ATOM 133 CE2 TYR A 539 -5.056 -5.599 -9.146 1.00 0.00 C ATOM 134 CZ TYR A 539 -5.776 -4.447 -9.222 1.00 0.00 C ATOM 135 OH TYR A 539 -6.983 -4.476 -9.848 1.00 0.00 O ATOM 0 H TYR A 539 -0.509 -2.528 -6.150 1.00 0.00 H new ATOM 0 HA TYR A 539 -3.042 -3.907 -5.389 1.00 0.00 H new ATOM 0 HB2 TYR A 539 -1.292 -3.671 -7.775 1.00 0.00 H new ATOM 0 HB3 TYR A 539 -1.499 -5.345 -7.298 1.00 0.00 H new ATOM 0 HD1 TYR A 539 -3.698 -2.313 -7.615 1.00 0.00 H new ATOM 0 HD2 TYR A 539 -3.187 -6.469 -8.408 1.00 0.00 H new ATOM 0 HE1 TYR A 539 -5.944 -2.375 -8.783 1.00 0.00 H new ATOM 0 HE2 TYR A 539 -5.434 -6.516 -9.573 1.00 0.00 H new ATOM 0 HH TYR A 539 -6.875 -4.193 -10.780 1.00 0.00 H new ATOM 145 N TYR A 540 -1.936 -5.567 -4.006 1.00 0.00 N ATOM 146 CA TYR A 540 -1.313 -6.544 -3.129 1.00 0.00 C ATOM 147 C TYR A 540 -1.983 -7.913 -3.269 1.00 0.00 C ATOM 148 O TYR A 540 -3.205 -8.001 -3.380 1.00 0.00 O ATOM 149 CB TYR A 540 -1.528 -6.029 -1.704 1.00 0.00 C ATOM 150 CG TYR A 540 -1.449 -7.116 -0.631 1.00 0.00 C ATOM 151 CD1 TYR A 540 -0.236 -7.703 -0.330 1.00 0.00 C ATOM 152 CD2 TYR A 540 -2.591 -7.510 0.037 1.00 0.00 C ATOM 153 CE1 TYR A 540 -0.163 -8.726 0.680 1.00 0.00 C ATOM 154 CE2 TYR A 540 -2.517 -8.534 1.047 1.00 0.00 C ATOM 155 CZ TYR A 540 -1.307 -9.091 1.319 1.00 0.00 C ATOM 156 OH TYR A 540 -1.237 -10.057 2.273 1.00 0.00 O ATOM 0 H TYR A 540 -2.935 -5.429 -3.850 1.00 0.00 H new ATOM 0 HA TYR A 540 -0.258 -6.664 -3.376 1.00 0.00 H new ATOM 0 HB2 TYR A 540 -0.781 -5.265 -1.488 1.00 0.00 H new ATOM 0 HB3 TYR A 540 -2.504 -5.546 -1.646 1.00 0.00 H new ATOM 0 HD1 TYR A 540 0.658 -7.395 -0.852 1.00 0.00 H new ATOM 0 HD2 TYR A 540 -3.540 -7.050 -0.198 1.00 0.00 H new ATOM 0 HE1 TYR A 540 0.779 -9.193 0.925 1.00 0.00 H new ATOM 0 HE2 TYR A 540 -3.403 -8.852 1.576 1.00 0.00 H new ATOM 0 HH TYR A 540 -2.130 -10.215 2.645 1.00 0.00 H new ATOM 166 N LYS A 541 -1.154 -8.946 -3.260 1.00 0.00 N ATOM 167 CA LYS A 541 -1.650 -10.305 -3.385 1.00 0.00 C ATOM 168 C LYS A 541 -1.882 -10.889 -1.990 1.00 0.00 C ATOM 169 O LYS A 541 -0.933 -11.109 -1.239 1.00 0.00 O ATOM 170 CB LYS A 541 -0.708 -11.142 -4.253 1.00 0.00 C ATOM 171 CG LYS A 541 -1.426 -12.372 -4.813 1.00 0.00 C ATOM 172 CD LYS A 541 -0.605 -13.027 -5.925 1.00 0.00 C ATOM 173 CE LYS A 541 -0.406 -14.519 -5.654 1.00 0.00 C ATOM 174 NZ LYS A 541 0.728 -14.730 -4.726 1.00 0.00 N ATOM 0 H LYS A 541 -0.141 -8.869 -3.168 1.00 0.00 H new ATOM 0 HA LYS A 541 -2.611 -10.314 -3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -0.327 -10.534 -5.074 1.00 0.00 H new ATOM 0 HB3 LYS A 541 0.153 -11.456 -3.663 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -1.600 -13.091 -4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -2.403 -12.082 -5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 541 -1.109 -12.892 -6.882 1.00 0.00 H new ATOM 0 HD3 LYS A 541 0.365 -12.536 -6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 541 -1.316 -14.942 -5.228 1.00 0.00 H new ATOM 0 HE3 LYS A 541 -0.219 -15.043 -6.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 0.850 -15.748 -4.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 1.597 -14.344 -5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 0.535 -14.246 -3.826 1.00 0.00 H new ATOM 187 N LYS A 542 -3.150 -11.123 -1.685 1.00 0.00 N ATOM 188 CA LYS A 542 -3.519 -11.677 -0.393 1.00 0.00 C ATOM 189 C LYS A 542 -3.434 -13.204 -0.455 1.00 0.00 C ATOM 190 O LYS A 542 -3.760 -13.806 -1.477 1.00 0.00 O ATOM 191 CB LYS A 542 -4.889 -11.155 0.043 1.00 0.00 C ATOM 192 CG LYS A 542 -5.630 -12.194 0.887 1.00 0.00 C ATOM 193 CD LYS A 542 -6.973 -11.647 1.375 1.00 0.00 C ATOM 194 CE LYS A 542 -7.752 -11.002 0.228 1.00 0.00 C ATOM 195 NZ LYS A 542 -9.205 -11.026 0.511 1.00 0.00 N ATOM 0 H LYS A 542 -3.935 -10.939 -2.310 1.00 0.00 H new ATOM 0 HA LYS A 542 -2.820 -11.349 0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 542 -4.766 -10.236 0.617 1.00 0.00 H new ATOM 0 HB3 LYS A 542 -5.483 -10.905 -0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 542 -5.793 -13.097 0.298 1.00 0.00 H new ATOM 0 HG3 LYS A 542 -5.016 -12.478 1.742 1.00 0.00 H new ATOM 0 HD2 LYS A 542 -7.562 -12.454 1.810 1.00 0.00 H new ATOM 0 HD3 LYS A 542 -6.806 -10.913 2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 542 -7.420 -9.973 0.088 1.00 0.00 H new ATOM 0 HE3 LYS A 542 -7.548 -11.533 -0.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 542 -9.699 -10.400 -0.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 542 -9.563 -11.997 0.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 542 -9.375 -10.699 1.483 1.00 0.00 H new ATOM 208 N GLY A 543 -2.996 -13.786 0.652 1.00 0.00 N ATOM 209 CA GLY A 543 -2.631 -12.998 1.817 1.00 0.00 C ATOM 210 C GLY A 543 -3.078 -13.689 3.107 1.00 0.00 C ATOM 211 O GLY A 543 -2.739 -14.848 3.344 1.00 0.00 O ATOM 0 H GLY A 543 -2.886 -14.794 0.767 1.00 0.00 H new ATOM 0 HA2 GLY A 543 -1.552 -12.848 1.836 1.00 0.00 H new ATOM 0 HA3 GLY A 543 -3.089 -12.011 1.751 1.00 0.00 H new ATOM 215 N PHE A 544 -3.831 -12.949 3.908 1.00 0.00 N ATOM 216 CA PHE A 544 -4.327 -13.476 5.167 1.00 0.00 C ATOM 217 C PHE A 544 -5.855 -13.551 5.167 1.00 0.00 C ATOM 218 O PHE A 544 -6.449 -14.160 4.278 1.00 0.00 O ATOM 219 CB PHE A 544 -3.876 -12.510 6.265 1.00 0.00 C ATOM 220 CG PHE A 544 -2.375 -12.215 6.257 1.00 0.00 C ATOM 221 CD1 PHE A 544 -1.825 -11.513 5.230 1.00 0.00 C ATOM 222 CD2 PHE A 544 -1.590 -12.656 7.276 1.00 0.00 C ATOM 223 CE1 PHE A 544 -0.432 -11.240 5.223 1.00 0.00 C ATOM 224 CE2 PHE A 544 -0.197 -12.383 7.269 1.00 0.00 C ATOM 225 CZ PHE A 544 0.353 -11.680 6.242 1.00 0.00 C ATOM 0 H PHE A 544 -4.109 -11.988 3.709 1.00 0.00 H new ATOM 0 HA PHE A 544 -3.941 -14.483 5.326 1.00 0.00 H new ATOM 0 HB2 PHE A 544 -4.421 -11.572 6.156 1.00 0.00 H new ATOM 0 HB3 PHE A 544 -4.149 -12.926 7.235 1.00 0.00 H new ATOM 0 HD1 PHE A 544 -2.448 -11.163 4.420 1.00 0.00 H new ATOM 0 HD2 PHE A 544 -2.027 -13.214 8.091 1.00 0.00 H new ATOM 0 HE1 PHE A 544 0.005 -10.682 4.408 1.00 0.00 H new ATOM 0 HE2 PHE A 544 0.426 -12.733 8.079 1.00 0.00 H new ATOM 0 HZ PHE A 544 1.413 -11.472 6.236 1.00 0.00 H new ATOM 235 N ASN A 545 -6.447 -12.924 6.172 1.00 0.00 N ATOM 236 CA ASN A 545 -7.895 -12.912 6.298 1.00 0.00 C ATOM 237 C ASN A 545 -8.423 -11.523 5.933 1.00 0.00 C ATOM 238 O ASN A 545 -9.327 -11.396 5.109 1.00 0.00 O ATOM 239 CB ASN A 545 -8.325 -13.219 7.734 1.00 0.00 C ATOM 240 CG ASN A 545 -7.459 -14.325 8.341 1.00 0.00 C ATOM 241 OD1 ASN A 545 -6.920 -14.201 9.428 1.00 0.00 O ATOM 242 ND2 ASN A 545 -7.357 -15.411 7.580 1.00 0.00 N ATOM 0 H ASN A 545 -5.951 -12.420 6.907 1.00 0.00 H new ATOM 0 HA ASN A 545 -8.298 -13.673 5.630 1.00 0.00 H new ATOM 0 HB2 ASN A 545 -8.248 -12.317 8.341 1.00 0.00 H new ATOM 0 HB3 ASN A 545 -9.372 -13.523 7.747 1.00 0.00 H new ATOM 0 HD21 ASN A 545 -6.801 -16.205 7.897 1.00 0.00 H new ATOM 0 HD22 ASN A 545 -7.834 -15.449 6.679 1.00 0.00 H new ATOM 249 N SER A 546 -7.836 -10.517 6.565 1.00 0.00 N ATOM 250 CA SER A 546 -8.236 -9.143 6.317 1.00 0.00 C ATOM 251 C SER A 546 -7.264 -8.182 7.005 1.00 0.00 C ATOM 252 O SER A 546 -7.652 -7.439 7.904 1.00 0.00 O ATOM 253 CB SER A 546 -9.665 -8.889 6.802 1.00 0.00 C ATOM 254 OG SER A 546 -10.631 -9.533 5.976 1.00 0.00 O ATOM 0 H SER A 546 -7.087 -10.627 7.248 1.00 0.00 H new ATOM 0 HA SER A 546 -8.209 -8.969 5.241 1.00 0.00 H new ATOM 0 HB2 SER A 546 -9.769 -9.245 7.827 1.00 0.00 H new ATOM 0 HB3 SER A 546 -9.858 -7.816 6.817 1.00 0.00 H new ATOM 0 HG SER A 546 -10.179 -9.974 5.227 1.00 0.00 H new ATOM 260 N PRO A 547 -5.986 -8.230 6.543 1.00 0.00 N ATOM 261 CA PRO A 547 -4.955 -7.373 7.103 1.00 0.00 C ATOM 262 C PRO A 547 -5.114 -5.932 6.615 1.00 0.00 C ATOM 263 O PRO A 547 -5.540 -5.699 5.484 1.00 0.00 O ATOM 264 CB PRO A 547 -3.641 -8.004 6.673 1.00 0.00 C ATOM 265 CG PRO A 547 -3.980 -8.918 5.506 1.00 0.00 C ATOM 266 CD PRO A 547 -5.490 -9.098 5.479 1.00 0.00 C ATOM 0 HA PRO A 547 -5.011 -7.304 8.189 1.00 0.00 H new ATOM 0 HB2 PRO A 547 -2.921 -7.242 6.376 1.00 0.00 H new ATOM 0 HB3 PRO A 547 -3.191 -8.566 7.492 1.00 0.00 H new ATOM 0 HG2 PRO A 547 -3.630 -8.486 4.568 1.00 0.00 H new ATOM 0 HG3 PRO A 547 -3.483 -9.881 5.618 1.00 0.00 H new ATOM 0 HD2 PRO A 547 -5.905 -8.815 4.512 1.00 0.00 H new ATOM 0 HD3 PRO A 547 -5.768 -10.137 5.654 1.00 0.00 H new ATOM 274 N TYR A 548 -4.764 -5.002 7.491 1.00 0.00 N ATOM 275 CA TYR A 548 -4.863 -3.590 7.163 1.00 0.00 C ATOM 276 C TYR A 548 -3.520 -3.046 6.669 1.00 0.00 C ATOM 277 O TYR A 548 -2.476 -3.651 6.908 1.00 0.00 O ATOM 278 CB TYR A 548 -5.239 -2.879 8.464 1.00 0.00 C ATOM 279 CG TYR A 548 -6.716 -2.493 8.558 1.00 0.00 C ATOM 280 CD1 TYR A 548 -7.157 -1.311 7.998 1.00 0.00 C ATOM 281 CD2 TYR A 548 -7.608 -3.326 9.202 1.00 0.00 C ATOM 282 CE1 TYR A 548 -8.548 -0.948 8.086 1.00 0.00 C ATOM 283 CE2 TYR A 548 -8.999 -2.963 9.290 1.00 0.00 C ATOM 284 CZ TYR A 548 -9.400 -1.791 8.728 1.00 0.00 C ATOM 285 OH TYR A 548 -10.713 -1.448 8.811 1.00 0.00 O ATOM 0 H TYR A 548 -4.411 -5.199 8.428 1.00 0.00 H new ATOM 0 HA TYR A 548 -5.597 -3.431 6.373 1.00 0.00 H new ATOM 0 HB2 TYR A 548 -4.989 -3.526 9.305 1.00 0.00 H new ATOM 0 HB3 TYR A 548 -4.632 -1.979 8.563 1.00 0.00 H new ATOM 0 HD1 TYR A 548 -6.459 -0.659 7.494 1.00 0.00 H new ATOM 0 HD2 TYR A 548 -7.263 -4.251 9.640 1.00 0.00 H new ATOM 0 HE1 TYR A 548 -8.906 -0.026 7.652 1.00 0.00 H new ATOM 0 HE2 TYR A 548 -9.707 -3.606 9.791 1.00 0.00 H new ATOM 0 HH TYR A 548 -11.203 -2.145 9.296 1.00 0.00 H new ATOM 295 N ILE A 549 -3.592 -1.911 5.989 1.00 0.00 N ATOM 296 CA ILE A 549 -2.395 -1.280 5.459 1.00 0.00 C ATOM 297 C ILE A 549 -2.308 0.156 5.981 1.00 0.00 C ATOM 298 O ILE A 549 -3.324 0.836 6.112 1.00 0.00 O ATOM 299 CB ILE A 549 -2.367 -1.381 3.933 1.00 0.00 C ATOM 300 CG1 ILE A 549 -1.442 -0.322 3.330 1.00 0.00 C ATOM 301 CG2 ILE A 549 -3.780 -1.307 3.351 1.00 0.00 C ATOM 302 CD1 ILE A 549 -0.906 -0.772 1.969 1.00 0.00 C ATOM 0 H ILE A 549 -4.460 -1.412 5.793 1.00 0.00 H new ATOM 0 HA ILE A 549 -1.503 -1.802 5.807 1.00 0.00 H new ATOM 0 HB ILE A 549 -1.960 -2.355 3.663 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -1.983 0.618 3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -0.610 -0.133 4.008 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -3.730 -1.381 2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -4.379 -2.129 3.744 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -4.239 -0.358 3.629 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -0.251 -0.001 1.563 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -0.345 -1.699 2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -1.739 -0.937 1.286 1.00 0.00 H new ATOM 314 N HIS A 550 -1.083 0.574 6.266 1.00 0.00 N ATOM 315 CA HIS A 550 -0.850 1.916 6.771 1.00 0.00 C ATOM 316 C HIS A 550 0.262 2.584 5.960 1.00 0.00 C ATOM 317 O HIS A 550 1.400 2.117 5.958 1.00 0.00 O ATOM 318 CB HIS A 550 -0.553 1.888 8.272 1.00 0.00 C ATOM 319 CG HIS A 550 -0.471 3.255 8.908 1.00 0.00 C ATOM 320 ND1 HIS A 550 -1.017 4.386 8.326 1.00 0.00 N ATOM 321 CD2 HIS A 550 0.098 3.661 10.079 1.00 0.00 C ATOM 322 CE1 HIS A 550 -0.781 5.420 9.120 1.00 0.00 C ATOM 323 NE2 HIS A 550 -0.089 4.969 10.206 1.00 0.00 N ATOM 0 H HIS A 550 -0.242 0.007 6.157 1.00 0.00 H new ATOM 0 HA HIS A 550 -1.752 2.516 6.649 1.00 0.00 H new ATOM 0 HB2 HIS A 550 -1.329 1.311 8.775 1.00 0.00 H new ATOM 0 HB3 HIS A 550 0.389 1.365 8.436 1.00 0.00 H new ATOM 0 HD2 HIS A 550 0.614 3.026 10.784 1.00 0.00 H new ATOM 0 HE1 HIS A 550 -1.083 6.441 8.939 1.00 0.00 H new ATOM 0 HE2 HIS A 550 0.232 5.542 10.986 1.00 0.00 H new ATOM 331 N TYR A 551 -0.106 3.666 5.290 1.00 0.00 N ATOM 332 CA TYR A 551 0.846 4.402 4.476 1.00 0.00 C ATOM 333 C TYR A 551 0.977 5.848 4.959 1.00 0.00 C ATOM 334 O TYR A 551 0.098 6.357 5.652 1.00 0.00 O ATOM 335 CB TYR A 551 0.277 4.402 3.056 1.00 0.00 C ATOM 336 CG TYR A 551 -1.207 4.035 2.980 1.00 0.00 C ATOM 337 CD1 TYR A 551 -2.156 4.890 3.503 1.00 0.00 C ATOM 338 CD2 TYR A 551 -1.596 2.850 2.390 1.00 0.00 C ATOM 339 CE1 TYR A 551 -3.552 4.545 3.432 1.00 0.00 C ATOM 340 CE2 TYR A 551 -2.992 2.505 2.319 1.00 0.00 C ATOM 341 CZ TYR A 551 -3.901 3.369 2.843 1.00 0.00 C ATOM 342 OH TYR A 551 -5.220 3.044 2.776 1.00 0.00 O ATOM 0 H TYR A 551 -1.051 4.051 5.294 1.00 0.00 H new ATOM 0 HA TYR A 551 1.833 3.943 4.531 1.00 0.00 H new ATOM 0 HB2 TYR A 551 0.419 5.390 2.619 1.00 0.00 H new ATOM 0 HB3 TYR A 551 0.846 3.699 2.448 1.00 0.00 H new ATOM 0 HD1 TYR A 551 -1.852 5.817 3.965 1.00 0.00 H new ATOM 0 HD2 TYR A 551 -0.853 2.181 1.981 1.00 0.00 H new ATOM 0 HE1 TYR A 551 -4.305 5.205 3.837 1.00 0.00 H new ATOM 0 HE2 TYR A 551 -3.310 1.581 1.860 1.00 0.00 H new ATOM 0 HH TYR A 551 -5.329 2.227 2.246 1.00 0.00 H new ATOM 352 N ARG A 552 2.083 6.469 4.574 1.00 0.00 N ATOM 353 CA ARG A 552 2.340 7.846 4.959 1.00 0.00 C ATOM 354 C ARG A 552 2.805 8.658 3.749 1.00 0.00 C ATOM 355 O ARG A 552 3.645 8.200 2.975 1.00 0.00 O ATOM 356 CB ARG A 552 3.406 7.921 6.055 1.00 0.00 C ATOM 357 CG ARG A 552 4.361 9.091 5.811 1.00 0.00 C ATOM 358 CD ARG A 552 5.090 9.482 7.098 1.00 0.00 C ATOM 359 NE ARG A 552 6.347 8.710 7.222 1.00 0.00 N ATOM 360 CZ ARG A 552 7.424 8.885 6.427 1.00 0.00 C ATOM 361 NH1 ARG A 552 7.405 9.809 5.442 1.00 0.00 N ATOM 362 NH2 ARG A 552 8.495 8.140 6.626 1.00 0.00 N ATOM 0 H ARG A 552 2.811 6.044 4.000 1.00 0.00 H new ATOM 0 HA ARG A 552 1.409 8.262 5.344 1.00 0.00 H new ATOM 0 HB2 ARG A 552 2.926 8.035 7.027 1.00 0.00 H new ATOM 0 HB3 ARG A 552 3.968 6.988 6.085 1.00 0.00 H new ATOM 0 HG2 ARG A 552 5.088 8.818 5.046 1.00 0.00 H new ATOM 0 HG3 ARG A 552 3.803 9.947 5.430 1.00 0.00 H new ATOM 0 HD2 ARG A 552 5.308 10.550 7.092 1.00 0.00 H new ATOM 0 HD3 ARG A 552 4.450 9.292 7.960 1.00 0.00 H new ATOM 0 HE ARG A 552 6.403 8.002 7.954 1.00 0.00 H new ATOM 0 HH11 ARG A 552 6.573 10.380 5.295 1.00 0.00 H new ATOM 0 HH12 ARG A 552 8.223 9.935 4.845 1.00 0.00 H new ATOM 0 HH21 ARG A 552 8.501 7.444 7.372 1.00 0.00 H new ATOM 0 HH22 ARG A 552 9.317 8.260 6.034 1.00 0.00 H new ATOM 375 N PRO A 553 2.224 9.880 3.619 1.00 0.00 N ATOM 376 CA PRO A 553 2.570 10.760 2.516 1.00 0.00 C ATOM 377 C PRO A 553 3.944 11.398 2.733 1.00 0.00 C ATOM 378 O PRO A 553 4.383 11.563 3.870 1.00 0.00 O ATOM 379 CB PRO A 553 1.445 11.780 2.457 1.00 0.00 C ATOM 380 CG PRO A 553 0.755 11.717 3.810 1.00 0.00 C ATOM 381 CD PRO A 553 1.226 10.455 4.515 1.00 0.00 C ATOM 0 HA PRO A 553 2.659 10.230 1.568 1.00 0.00 H new ATOM 0 HB2 PRO A 553 1.834 12.780 2.263 1.00 0.00 H new ATOM 0 HB3 PRO A 553 0.748 11.547 1.652 1.00 0.00 H new ATOM 0 HG2 PRO A 553 0.997 12.599 4.403 1.00 0.00 H new ATOM 0 HG3 PRO A 553 -0.328 11.704 3.686 1.00 0.00 H new ATOM 0 HD2 PRO A 553 1.655 10.683 5.491 1.00 0.00 H new ATOM 0 HD3 PRO A 553 0.400 9.764 4.683 1.00 0.00 H new ATOM 389 N ALA A 554 4.585 11.740 1.625 1.00 0.00 N ATOM 390 CA ALA A 554 5.900 12.356 1.680 1.00 0.00 C ATOM 391 C ALA A 554 5.878 13.502 2.693 1.00 0.00 C ATOM 392 O ALA A 554 6.917 13.874 3.237 1.00 0.00 O ATOM 393 CB ALA A 554 6.304 12.822 0.280 1.00 0.00 C ATOM 0 H ALA A 554 4.218 11.602 0.683 1.00 0.00 H new ATOM 0 HA ALA A 554 6.648 11.637 2.012 1.00 0.00 H new ATOM 0 HB1 ALA A 554 7.290 13.284 0.321 1.00 0.00 H new ATOM 0 HB2 ALA A 554 6.332 11.966 -0.394 1.00 0.00 H new ATOM 0 HB3 ALA A 554 5.578 13.548 -0.085 1.00 0.00 H new ATOM 399 N GLY A 555 4.684 14.031 2.916 1.00 0.00 N ATOM 400 CA GLY A 555 4.514 15.127 3.854 1.00 0.00 C ATOM 401 C GLY A 555 5.118 14.782 5.217 1.00 0.00 C ATOM 402 O GLY A 555 5.406 15.672 6.016 1.00 0.00 O ATOM 0 H GLY A 555 3.825 13.721 2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 555 4.989 16.025 3.459 1.00 0.00 H new ATOM 0 HA3 GLY A 555 3.453 15.351 3.969 1.00 0.00 H new ATOM 406 N GLY A 556 5.291 13.488 5.440 1.00 0.00 N ATOM 407 CA GLY A 556 5.856 13.013 6.693 1.00 0.00 C ATOM 408 C GLY A 556 4.759 12.777 7.733 1.00 0.00 C ATOM 409 O GLY A 556 5.029 12.769 8.933 1.00 0.00 O ATOM 0 H GLY A 556 5.050 12.753 4.775 1.00 0.00 H new ATOM 0 HA2 GLY A 556 6.405 12.087 6.521 1.00 0.00 H new ATOM 0 HA3 GLY A 556 6.572 13.742 7.073 1.00 0.00 H new ATOM 413 N SER A 557 3.546 12.590 7.235 1.00 0.00 N ATOM 414 CA SER A 557 2.408 12.354 8.107 1.00 0.00 C ATOM 415 C SER A 557 2.031 10.871 8.086 1.00 0.00 C ATOM 416 O SER A 557 2.534 10.111 7.260 1.00 0.00 O ATOM 417 CB SER A 557 1.210 13.212 7.694 1.00 0.00 C ATOM 418 OG SER A 557 1.285 13.610 6.328 1.00 0.00 O ATOM 0 H SER A 557 3.326 12.597 6.239 1.00 0.00 H new ATOM 0 HA SER A 557 2.690 12.636 9.121 1.00 0.00 H new ATOM 0 HB2 SER A 557 0.289 12.652 7.859 1.00 0.00 H new ATOM 0 HB3 SER A 557 1.162 14.098 8.328 1.00 0.00 H new ATOM 0 HG SER A 557 0.502 14.154 6.102 1.00 0.00 H new ATOM 424 N TRP A 558 1.149 10.504 9.004 1.00 0.00 N ATOM 425 CA TRP A 558 0.699 9.126 9.102 1.00 0.00 C ATOM 426 C TRP A 558 -0.819 9.137 9.293 1.00 0.00 C ATOM 427 O TRP A 558 -1.319 9.664 10.285 1.00 0.00 O ATOM 428 CB TRP A 558 1.438 8.386 10.219 1.00 0.00 C ATOM 429 CG TRP A 558 2.879 8.009 9.869 1.00 0.00 C ATOM 430 CD1 TRP A 558 4.002 8.675 10.169 1.00 0.00 C ATOM 431 CD2 TRP A 558 3.308 6.843 9.136 1.00 0.00 C ATOM 432 NE1 TRP A 558 5.120 8.026 9.685 1.00 0.00 N ATOM 433 CE2 TRP A 558 4.684 6.876 9.037 1.00 0.00 C ATOM 434 CE3 TRP A 558 2.559 5.794 8.574 1.00 0.00 C ATOM 435 CZ2 TRP A 558 5.430 5.888 8.383 1.00 0.00 C ATOM 436 CZ3 TRP A 558 3.319 4.814 7.924 1.00 0.00 C ATOM 437 CH2 TRP A 558 4.705 4.834 7.816 1.00 0.00 C ATOM 0 H TRP A 558 0.734 11.138 9.687 1.00 0.00 H new ATOM 0 HA TRP A 558 0.930 8.578 8.188 1.00 0.00 H new ATOM 0 HB2 TRP A 558 1.444 9.010 11.113 1.00 0.00 H new ATOM 0 HB3 TRP A 558 0.886 7.479 10.467 1.00 0.00 H new ATOM 0 HD1 TRP A 558 4.029 9.603 10.720 1.00 0.00 H new ATOM 0 HE1 TRP A 558 6.087 8.333 9.784 1.00 0.00 H new ATOM 0 HE3 TRP A 558 1.482 5.748 8.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 558 6.507 5.937 8.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 558 2.792 3.985 7.475 1.00 0.00 H new ATOM 0 HH2 TRP A 558 5.220 4.039 7.297 1.00 0.00 H new ATOM 448 N THR A 559 -1.509 8.547 8.328 1.00 0.00 N ATOM 449 CA THR A 559 -2.959 8.482 8.378 1.00 0.00 C ATOM 450 C THR A 559 -3.417 7.746 9.638 1.00 0.00 C ATOM 451 O THR A 559 -2.604 7.149 10.342 1.00 0.00 O ATOM 452 CB THR A 559 -3.448 7.830 7.083 1.00 0.00 C ATOM 453 OG1 THR A 559 -2.941 8.677 6.055 1.00 0.00 O ATOM 454 CG2 THR A 559 -4.967 7.917 6.921 1.00 0.00 C ATOM 0 H THR A 559 -1.090 8.110 7.507 1.00 0.00 H new ATOM 0 HA THR A 559 -3.397 9.478 8.444 1.00 0.00 H new ATOM 0 HB THR A 559 -3.140 6.785 7.064 1.00 0.00 H new ATOM 0 HG1 THR A 559 -3.210 8.327 5.180 1.00 0.00 H new ATOM 0 HG21 THR A 559 -5.261 7.440 5.986 1.00 0.00 H new ATOM 0 HG22 THR A 559 -5.452 7.410 7.756 1.00 0.00 H new ATOM 0 HG23 THR A 559 -5.272 8.963 6.906 1.00 0.00 H new ATOM 462 N ALA A 560 -4.717 7.813 9.885 1.00 0.00 N ATOM 463 CA ALA A 560 -5.293 7.161 11.049 1.00 0.00 C ATOM 464 C ALA A 560 -4.953 5.669 11.012 1.00 0.00 C ATOM 465 O ALA A 560 -5.490 4.927 10.192 1.00 0.00 O ATOM 466 CB ALA A 560 -6.801 7.414 11.082 1.00 0.00 C ATOM 0 H ALA A 560 -5.388 8.309 9.299 1.00 0.00 H new ATOM 0 HA ALA A 560 -4.873 7.573 11.967 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -7.233 6.925 11.955 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -6.989 8.486 11.137 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -7.257 7.011 10.178 1.00 0.00 H new ATOM 472 N ALA A 561 -4.063 5.276 11.911 1.00 0.00 N ATOM 473 CA ALA A 561 -3.645 3.887 11.992 1.00 0.00 C ATOM 474 C ALA A 561 -4.722 3.075 12.714 1.00 0.00 C ATOM 475 O ALA A 561 -5.210 3.483 13.767 1.00 0.00 O ATOM 476 CB ALA A 561 -2.286 3.802 12.690 1.00 0.00 C ATOM 0 H ALA A 561 -3.620 5.895 12.590 1.00 0.00 H new ATOM 0 HA ALA A 561 -3.527 3.464 10.994 1.00 0.00 H new ATOM 0 HB1 ALA A 561 -1.973 2.760 12.751 1.00 0.00 H new ATOM 0 HB2 ALA A 561 -1.549 4.370 12.122 1.00 0.00 H new ATOM 0 HB3 ALA A 561 -2.367 4.216 13.695 1.00 0.00 H new ATOM 482 N PRO A 562 -5.072 1.912 12.103 1.00 0.00 N ATOM 483 CA PRO A 562 -4.445 1.503 10.857 1.00 0.00 C ATOM 484 C PRO A 562 -4.980 2.322 9.680 1.00 0.00 C ATOM 485 O PRO A 562 -6.154 2.688 9.657 1.00 0.00 O ATOM 486 CB PRO A 562 -4.747 0.019 10.733 1.00 0.00 C ATOM 487 CG PRO A 562 -5.916 -0.249 11.668 1.00 0.00 C ATOM 488 CD PRO A 562 -6.068 0.958 12.580 1.00 0.00 C ATOM 0 HA PRO A 562 -3.369 1.679 10.850 1.00 0.00 H new ATOM 0 HB2 PRO A 562 -5.001 -0.243 9.706 1.00 0.00 H new ATOM 0 HB3 PRO A 562 -3.880 -0.580 11.010 1.00 0.00 H new ATOM 0 HG2 PRO A 562 -6.830 -0.415 11.098 1.00 0.00 H new ATOM 0 HG3 PRO A 562 -5.737 -1.151 12.254 1.00 0.00 H new ATOM 0 HD2 PRO A 562 -7.074 1.374 12.522 1.00 0.00 H new ATOM 0 HD3 PRO A 562 -5.893 0.691 13.622 1.00 0.00 H new ATOM 496 N GLY A 563 -4.093 2.585 8.732 1.00 0.00 N ATOM 497 CA GLY A 563 -4.461 3.353 7.555 1.00 0.00 C ATOM 498 C GLY A 563 -5.871 2.992 7.083 1.00 0.00 C ATOM 499 O GLY A 563 -6.857 3.482 7.631 1.00 0.00 O ATOM 0 H GLY A 563 -3.120 2.280 8.755 1.00 0.00 H new ATOM 0 HA2 GLY A 563 -4.411 4.418 7.781 1.00 0.00 H new ATOM 0 HA3 GLY A 563 -3.746 3.163 6.754 1.00 0.00 H new ATOM 503 N VAL A 564 -5.921 2.138 6.072 1.00 0.00 N ATOM 504 CA VAL A 564 -7.194 1.706 5.520 1.00 0.00 C ATOM 505 C VAL A 564 -7.146 0.199 5.257 1.00 0.00 C ATOM 506 O VAL A 564 -6.067 -0.379 5.139 1.00 0.00 O ATOM 507 CB VAL A 564 -7.526 2.521 4.269 1.00 0.00 C ATOM 508 CG1 VAL A 564 -9.031 2.518 3.996 1.00 0.00 C ATOM 509 CG2 VAL A 564 -6.993 3.950 4.388 1.00 0.00 C ATOM 0 H VAL A 564 -5.101 1.733 5.620 1.00 0.00 H new ATOM 0 HA VAL A 564 -8.000 1.886 6.232 1.00 0.00 H new ATOM 0 HB VAL A 564 -7.031 2.049 3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 564 -9.240 3.105 3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 564 -9.372 1.493 3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 564 -9.556 2.954 4.846 1.00 0.00 H new ATOM 0 HG21 VAL A 564 -7.243 4.508 3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 564 -7.446 4.436 5.252 1.00 0.00 H new ATOM 0 HG23 VAL A 564 -5.910 3.925 4.512 1.00 0.00 H new ATOM 519 N LYS A 565 -8.328 -0.392 5.172 1.00 0.00 N ATOM 520 CA LYS A 565 -8.434 -1.820 4.925 1.00 0.00 C ATOM 521 C LYS A 565 -8.365 -2.079 3.419 1.00 0.00 C ATOM 522 O LYS A 565 -9.271 -1.700 2.678 1.00 0.00 O ATOM 523 CB LYS A 565 -9.690 -2.387 5.590 1.00 0.00 C ATOM 524 CG LYS A 565 -9.438 -3.799 6.125 1.00 0.00 C ATOM 525 CD LYS A 565 -10.320 -4.822 5.408 1.00 0.00 C ATOM 526 CE LYS A 565 -11.451 -5.306 6.319 1.00 0.00 C ATOM 527 NZ LYS A 565 -12.667 -4.487 6.114 1.00 0.00 N ATOM 0 H LYS A 565 -9.221 0.092 5.270 1.00 0.00 H new ATOM 0 HA LYS A 565 -7.595 -2.348 5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -9.999 -1.735 6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -10.509 -2.408 4.871 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -8.388 -4.061 5.991 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -9.639 -3.827 7.196 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -10.740 -4.377 4.506 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -9.714 -5.671 5.092 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -11.671 -6.353 6.111 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -11.137 -5.247 7.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -13.425 -4.828 6.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -12.457 -3.493 6.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -12.975 -4.564 5.124 1.00 0.00 H new ATOM 540 N MET A 566 -7.282 -2.724 3.011 1.00 0.00 N ATOM 541 CA MET A 566 -7.084 -3.039 1.606 1.00 0.00 C ATOM 542 C MET A 566 -8.413 -3.371 0.925 1.00 0.00 C ATOM 543 O MET A 566 -9.211 -4.142 1.456 1.00 0.00 O ATOM 544 CB MET A 566 -6.133 -4.230 1.479 1.00 0.00 C ATOM 545 CG MET A 566 -4.679 -3.795 1.675 1.00 0.00 C ATOM 546 SD MET A 566 -3.639 -4.569 0.448 1.00 0.00 S ATOM 547 CE MET A 566 -2.782 -3.135 -0.181 1.00 0.00 C ATOM 0 H MET A 566 -6.533 -3.037 3.628 1.00 0.00 H new ATOM 0 HA MET A 566 -6.655 -2.166 1.115 1.00 0.00 H new ATOM 0 HB2 MET A 566 -6.392 -4.987 2.219 1.00 0.00 H new ATOM 0 HB3 MET A 566 -6.250 -4.690 0.498 1.00 0.00 H new ATOM 0 HG2 MET A 566 -4.602 -2.711 1.597 1.00 0.00 H new ATOM 0 HG3 MET A 566 -4.341 -4.068 2.675 1.00 0.00 H new ATOM 0 HE1 MET A 566 -3.120 -2.925 -1.196 1.00 0.00 H new ATOM 0 HE2 MET A 566 -2.992 -2.277 0.457 1.00 0.00 H new ATOM 0 HE3 MET A 566 -1.709 -3.327 -0.189 1.00 0.00 H new ATOM 557 N GLN A 567 -8.610 -2.772 -0.240 1.00 0.00 N ATOM 558 CA GLN A 567 -9.829 -2.995 -0.999 1.00 0.00 C ATOM 559 C GLN A 567 -9.577 -4.001 -2.125 1.00 0.00 C ATOM 560 O GLN A 567 -8.811 -3.726 -3.047 1.00 0.00 O ATOM 561 CB GLN A 567 -10.378 -1.679 -1.553 1.00 0.00 C ATOM 562 CG GLN A 567 -10.997 -0.832 -0.439 1.00 0.00 C ATOM 563 CD GLN A 567 -12.191 -0.029 -0.960 1.00 0.00 C ATOM 564 OE1 GLN A 567 -12.849 -0.397 -1.919 1.00 0.00 O ATOM 565 NE2 GLN A 567 -12.433 1.087 -0.277 1.00 0.00 N ATOM 0 H GLN A 567 -7.946 -2.133 -0.677 1.00 0.00 H new ATOM 0 HA GLN A 567 -10.581 -3.411 -0.328 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -9.576 -1.121 -2.036 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -11.128 -1.886 -2.317 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -11.317 -1.478 0.379 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -10.247 -0.153 -0.034 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -11.843 1.337 0.517 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -13.208 1.692 -0.547 1.00 0.00 H new ATOM 574 N ASP A 568 -10.237 -5.144 -2.012 1.00 0.00 N ATOM 575 CA ASP A 568 -10.094 -6.192 -3.009 1.00 0.00 C ATOM 576 C ASP A 568 -10.024 -5.560 -4.400 1.00 0.00 C ATOM 577 O ASP A 568 -10.606 -4.502 -4.636 1.00 0.00 O ATOM 578 CB ASP A 568 -11.292 -7.144 -2.982 1.00 0.00 C ATOM 579 CG ASP A 568 -10.935 -8.629 -2.900 1.00 0.00 C ATOM 580 OD1 ASP A 568 -11.425 -9.449 -3.691 1.00 0.00 O ATOM 581 OD2 ASP A 568 -10.104 -8.939 -1.963 1.00 0.00 O ATOM 0 H ASP A 568 -10.872 -5.368 -1.246 1.00 0.00 H new ATOM 0 HA ASP A 568 -9.185 -6.750 -2.785 1.00 0.00 H new ATOM 0 HB2 ASP A 568 -11.921 -6.889 -2.129 1.00 0.00 H new ATOM 0 HB3 ASP A 568 -11.889 -6.978 -3.879 1.00 0.00 H new ATOM 587 N ALA A 569 -9.305 -6.234 -5.286 1.00 0.00 N ATOM 588 CA ALA A 569 -9.151 -5.752 -6.648 1.00 0.00 C ATOM 589 C ALA A 569 -10.373 -6.162 -7.471 1.00 0.00 C ATOM 590 O ALA A 569 -11.485 -6.226 -6.949 1.00 0.00 O ATOM 591 CB ALA A 569 -7.845 -6.290 -7.235 1.00 0.00 C ATOM 0 H ALA A 569 -8.823 -7.110 -5.087 1.00 0.00 H new ATOM 0 HA ALA A 569 -9.092 -4.664 -6.666 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -7.729 -5.929 -8.257 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -7.006 -5.946 -6.631 1.00 0.00 H new ATOM 0 HB3 ALA A 569 -7.868 -7.380 -7.236 1.00 0.00 H new ATOM 597 N GLU A 570 -10.126 -6.430 -8.745 1.00 0.00 N ATOM 598 CA GLU A 570 -11.193 -6.832 -9.646 1.00 0.00 C ATOM 599 C GLU A 570 -10.857 -8.173 -10.301 1.00 0.00 C ATOM 600 O GLU A 570 -11.607 -8.662 -11.144 1.00 0.00 O ATOM 601 CB GLU A 570 -11.454 -5.756 -10.702 1.00 0.00 C ATOM 602 CG GLU A 570 -10.261 -5.617 -11.650 1.00 0.00 C ATOM 603 CD GLU A 570 -9.785 -4.165 -11.723 1.00 0.00 C ATOM 604 OE1 GLU A 570 -10.518 -3.251 -11.315 1.00 0.00 O ATOM 605 OE2 GLU A 570 -8.609 -4.001 -12.225 1.00 0.00 O ATOM 0 H GLU A 570 -9.202 -6.377 -9.175 1.00 0.00 H new ATOM 0 HA GLU A 570 -12.107 -6.953 -9.064 1.00 0.00 H new ATOM 0 HB2 GLU A 570 -12.348 -6.010 -11.272 1.00 0.00 H new ATOM 0 HB3 GLU A 570 -11.648 -4.801 -10.213 1.00 0.00 H new ATOM 0 HG2 GLU A 570 -9.445 -6.254 -11.309 1.00 0.00 H new ATOM 0 HG3 GLU A 570 -10.541 -5.962 -12.645 1.00 0.00 H new ATOM 613 N ILE A 571 -9.728 -8.731 -9.888 1.00 0.00 N ATOM 614 CA ILE A 571 -9.284 -10.006 -10.424 1.00 0.00 C ATOM 615 C ILE A 571 -9.995 -11.141 -9.685 1.00 0.00 C ATOM 616 O ILE A 571 -11.100 -11.533 -10.056 1.00 0.00 O ATOM 617 CB ILE A 571 -7.757 -10.104 -10.379 1.00 0.00 C ATOM 618 CG1 ILE A 571 -7.115 -9.104 -11.342 1.00 0.00 C ATOM 619 CG2 ILE A 571 -7.291 -11.536 -10.645 1.00 0.00 C ATOM 620 CD1 ILE A 571 -5.637 -8.891 -11.008 1.00 0.00 C ATOM 0 H ILE A 571 -9.108 -8.323 -9.188 1.00 0.00 H new ATOM 0 HA ILE A 571 -9.555 -10.092 -11.476 1.00 0.00 H new ATOM 0 HB ILE A 571 -7.428 -9.840 -9.374 1.00 0.00 H new ATOM 0 HG12 ILE A 571 -7.211 -9.466 -12.365 1.00 0.00 H new ATOM 0 HG13 ILE A 571 -7.644 -8.152 -11.290 1.00 0.00 H new ATOM 0 HG21 ILE A 571 -6.202 -11.577 -10.607 1.00 0.00 H new ATOM 0 HG22 ILE A 571 -7.706 -12.200 -9.887 1.00 0.00 H new ATOM 0 HG23 ILE A 571 -7.632 -11.852 -11.631 1.00 0.00 H new ATOM 0 HD11 ILE A 571 -5.205 -8.176 -11.708 1.00 0.00 H new ATOM 0 HD12 ILE A 571 -5.545 -8.506 -9.993 1.00 0.00 H new ATOM 0 HD13 ILE A 571 -5.106 -9.840 -11.085 1.00 0.00 H new ATOM 632 N SER A 572 -9.331 -11.638 -8.651 1.00 0.00 N ATOM 633 CA SER A 572 -9.886 -12.720 -7.856 1.00 0.00 C ATOM 634 C SER A 572 -8.894 -13.131 -6.766 1.00 0.00 C ATOM 635 O SER A 572 -8.005 -13.947 -7.006 1.00 0.00 O ATOM 636 CB SER A 572 -10.238 -13.923 -8.733 1.00 0.00 C ATOM 637 OG SER A 572 -10.372 -15.119 -7.970 1.00 0.00 O ATOM 0 H SER A 572 -8.414 -11.311 -8.346 1.00 0.00 H new ATOM 0 HA SER A 572 -10.804 -12.364 -7.388 1.00 0.00 H new ATOM 0 HB2 SER A 572 -11.170 -13.725 -9.263 1.00 0.00 H new ATOM 0 HB3 SER A 572 -9.464 -14.060 -9.488 1.00 0.00 H new ATOM 0 HG SER A 572 -10.598 -15.863 -8.566 1.00 0.00 H new ATOM 643 N GLY A 573 -9.079 -12.546 -5.591 1.00 0.00 N ATOM 644 CA GLY A 573 -8.211 -12.841 -4.464 1.00 0.00 C ATOM 645 C GLY A 573 -7.096 -11.800 -4.343 1.00 0.00 C ATOM 646 O GLY A 573 -6.161 -11.974 -3.564 1.00 0.00 O ATOM 0 H GLY A 573 -9.817 -11.870 -5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 573 -8.797 -12.860 -3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 573 -7.776 -13.833 -4.586 1.00 0.00 H new ATOM 650 N TYR A 574 -7.233 -10.740 -5.126 1.00 0.00 N ATOM 651 CA TYR A 574 -6.249 -9.670 -5.117 1.00 0.00 C ATOM 652 C TYR A 574 -6.771 -8.451 -4.354 1.00 0.00 C ATOM 653 O TYR A 574 -7.979 -8.288 -4.189 1.00 0.00 O ATOM 654 CB TYR A 574 -6.031 -9.286 -6.581 1.00 0.00 C ATOM 655 CG TYR A 574 -4.897 -10.054 -7.264 1.00 0.00 C ATOM 656 CD1 TYR A 574 -4.829 -11.428 -7.150 1.00 0.00 C ATOM 657 CD2 TYR A 574 -3.944 -9.373 -7.994 1.00 0.00 C ATOM 658 CE1 TYR A 574 -3.762 -12.151 -7.793 1.00 0.00 C ATOM 659 CE2 TYR A 574 -2.877 -10.096 -8.636 1.00 0.00 C ATOM 660 CZ TYR A 574 -2.839 -11.449 -8.504 1.00 0.00 C ATOM 661 OH TYR A 574 -1.832 -12.132 -9.111 1.00 0.00 O ATOM 0 H TYR A 574 -8.010 -10.599 -5.771 1.00 0.00 H new ATOM 0 HA TYR A 574 -5.331 -9.997 -4.629 1.00 0.00 H new ATOM 0 HB2 TYR A 574 -6.956 -9.457 -7.132 1.00 0.00 H new ATOM 0 HB3 TYR A 574 -5.819 -8.218 -6.638 1.00 0.00 H new ATOM 0 HD1 TYR A 574 -5.575 -11.960 -6.579 1.00 0.00 H new ATOM 0 HD2 TYR A 574 -3.999 -8.298 -8.084 1.00 0.00 H new ATOM 0 HE1 TYR A 574 -3.696 -13.226 -7.712 1.00 0.00 H new ATOM 0 HE2 TYR A 574 -2.124 -9.576 -9.209 1.00 0.00 H new ATOM 0 HH TYR A 574 -1.248 -11.503 -9.584 1.00 0.00 H new ATOM 671 N ALA A 575 -5.835 -7.626 -3.909 1.00 0.00 N ATOM 672 CA ALA A 575 -6.186 -6.427 -3.167 1.00 0.00 C ATOM 673 C ALA A 575 -5.740 -5.195 -3.958 1.00 0.00 C ATOM 674 O ALA A 575 -4.784 -5.261 -4.729 1.00 0.00 O ATOM 675 CB ALA A 575 -5.555 -6.485 -1.774 1.00 0.00 C ATOM 0 H ALA A 575 -4.834 -7.764 -4.048 1.00 0.00 H new ATOM 0 HA ALA A 575 -7.266 -6.361 -3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 575 -5.818 -5.586 -1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 575 -5.926 -7.362 -1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 575 -4.471 -6.549 -1.868 1.00 0.00 H new ATOM 681 N LYS A 576 -6.454 -4.100 -3.739 1.00 0.00 N ATOM 682 CA LYS A 576 -6.144 -2.856 -4.421 1.00 0.00 C ATOM 683 C LYS A 576 -6.583 -1.678 -3.549 1.00 0.00 C ATOM 684 O LYS A 576 -7.722 -1.634 -3.087 1.00 0.00 O ATOM 685 CB LYS A 576 -6.757 -2.846 -5.823 1.00 0.00 C ATOM 686 CG LYS A 576 -8.145 -2.200 -5.810 1.00 0.00 C ATOM 687 CD LYS A 576 -8.737 -2.145 -7.219 1.00 0.00 C ATOM 688 CE LYS A 576 -8.864 -0.700 -7.704 1.00 0.00 C ATOM 689 NZ LYS A 576 -7.632 -0.280 -8.409 1.00 0.00 N ATOM 0 H LYS A 576 -7.246 -4.049 -3.099 1.00 0.00 H new ATOM 0 HA LYS A 576 -5.068 -2.760 -4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 576 -6.105 -2.301 -6.505 1.00 0.00 H new ATOM 0 HB3 LYS A 576 -6.830 -3.866 -6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 576 -8.807 -2.766 -5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 576 -8.077 -1.192 -5.401 1.00 0.00 H new ATOM 0 HD2 LYS A 576 -8.105 -2.708 -7.905 1.00 0.00 H new ATOM 0 HD3 LYS A 576 -9.717 -2.622 -7.224 1.00 0.00 H new ATOM 0 HE2 LYS A 576 -9.721 -0.608 -8.371 1.00 0.00 H new ATOM 0 HE3 LYS A 576 -9.048 -0.040 -6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 576 -7.735 0.703 -8.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 576 -6.821 -0.349 -7.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 576 -7.473 -0.899 -9.230 1.00 0.00 H new ATOM 702 N ILE A 577 -5.656 -0.752 -3.351 1.00 0.00 N ATOM 703 CA ILE A 577 -5.934 0.423 -2.543 1.00 0.00 C ATOM 704 C ILE A 577 -5.482 1.675 -3.298 1.00 0.00 C ATOM 705 O ILE A 577 -4.563 1.614 -4.114 1.00 0.00 O ATOM 706 CB ILE A 577 -5.304 0.281 -1.156 1.00 0.00 C ATOM 707 CG1 ILE A 577 -3.961 1.011 -1.086 1.00 0.00 C ATOM 708 CG2 ILE A 577 -5.176 -1.192 -0.760 1.00 0.00 C ATOM 709 CD1 ILE A 577 -4.162 2.528 -1.083 1.00 0.00 C ATOM 0 H ILE A 577 -4.712 -0.792 -3.736 1.00 0.00 H new ATOM 0 HA ILE A 577 -7.006 0.523 -2.372 1.00 0.00 H new ATOM 0 HB ILE A 577 -5.966 0.754 -0.431 1.00 0.00 H new ATOM 0 HG12 ILE A 577 -3.425 0.710 -0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 577 -3.342 0.724 -1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 577 -4.725 -1.265 0.230 1.00 0.00 H new ATOM 0 HG22 ILE A 577 -6.164 -1.652 -0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 577 -4.547 -1.710 -1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 577 -3.192 3.023 -1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 577 -4.676 2.829 -1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 577 -4.761 2.814 -0.218 1.00 0.00 H new ATOM 721 N THR A 578 -6.148 2.780 -2.999 1.00 0.00 N ATOM 722 CA THR A 578 -5.827 4.044 -3.640 1.00 0.00 C ATOM 723 C THR A 578 -5.308 5.048 -2.608 1.00 0.00 C ATOM 724 O THR A 578 -5.801 5.098 -1.482 1.00 0.00 O ATOM 725 CB THR A 578 -7.073 4.527 -4.384 1.00 0.00 C ATOM 726 OG1 THR A 578 -7.390 3.452 -5.264 1.00 0.00 O ATOM 727 CG2 THR A 578 -6.777 5.700 -5.322 1.00 0.00 C ATOM 0 H THR A 578 -6.909 2.827 -2.321 1.00 0.00 H new ATOM 0 HA THR A 578 -5.023 3.926 -4.366 1.00 0.00 H new ATOM 0 HB THR A 578 -7.835 4.822 -3.662 1.00 0.00 H new ATOM 0 HG1 THR A 578 -8.188 3.680 -5.785 1.00 0.00 H new ATOM 0 HG21 THR A 578 -7.695 6.004 -5.825 1.00 0.00 H new ATOM 0 HG22 THR A 578 -6.385 6.537 -4.745 1.00 0.00 H new ATOM 0 HG23 THR A 578 -6.040 5.395 -6.065 1.00 0.00 H new ATOM 735 N VAL A 579 -4.320 5.824 -3.029 1.00 0.00 N ATOM 736 CA VAL A 579 -3.729 6.823 -2.156 1.00 0.00 C ATOM 737 C VAL A 579 -3.660 8.162 -2.893 1.00 0.00 C ATOM 738 O VAL A 579 -3.008 8.271 -3.930 1.00 0.00 O ATOM 739 CB VAL A 579 -2.363 6.344 -1.660 1.00 0.00 C ATOM 740 CG1 VAL A 579 -1.663 7.432 -0.844 1.00 0.00 C ATOM 741 CG2 VAL A 579 -2.497 5.052 -0.850 1.00 0.00 C ATOM 0 H VAL A 579 -3.914 5.781 -3.964 1.00 0.00 H new ATOM 0 HA VAL A 579 -4.348 6.970 -1.271 1.00 0.00 H new ATOM 0 HB VAL A 579 -1.745 6.131 -2.533 1.00 0.00 H new ATOM 0 HG11 VAL A 579 -0.695 7.065 -0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 579 -1.518 8.316 -1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 579 -2.276 7.691 0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 579 -1.512 4.733 -0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 579 -3.140 5.228 0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 579 -2.934 4.274 -1.476 1.00 0.00 H new ATOM 751 N ASP A 580 -4.343 9.148 -2.329 1.00 0.00 N ATOM 752 CA ASP A 580 -4.368 10.475 -2.920 1.00 0.00 C ATOM 753 C ASP A 580 -3.109 11.238 -2.503 1.00 0.00 C ATOM 754 O ASP A 580 -2.818 11.359 -1.314 1.00 0.00 O ATOM 755 CB ASP A 580 -5.584 11.269 -2.440 1.00 0.00 C ATOM 756 CG ASP A 580 -6.536 10.501 -1.521 1.00 0.00 C ATOM 757 OD1 ASP A 580 -6.230 10.257 -0.344 1.00 0.00 O ATOM 758 OD2 ASP A 580 -7.649 10.143 -2.066 1.00 0.00 O ATOM 0 H ASP A 580 -4.883 9.054 -1.469 1.00 0.00 H new ATOM 0 HA ASP A 580 -4.417 10.361 -4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 580 -5.234 12.158 -1.915 1.00 0.00 H new ATOM 0 HB3 ASP A 580 -6.142 11.612 -3.311 1.00 0.00 H new ATOM 764 N ILE A 581 -2.397 11.733 -3.504 1.00 0.00 N ATOM 765 CA ILE A 581 -1.176 12.481 -3.255 1.00 0.00 C ATOM 766 C ILE A 581 -1.138 13.706 -4.172 1.00 0.00 C ATOM 767 O ILE A 581 -0.133 13.958 -4.835 1.00 0.00 O ATOM 768 CB ILE A 581 0.047 11.573 -3.392 1.00 0.00 C ATOM 769 CG1 ILE A 581 0.200 11.072 -4.830 1.00 0.00 C ATOM 770 CG2 ILE A 581 -0.011 10.420 -2.388 1.00 0.00 C ATOM 771 CD1 ILE A 581 1.578 10.443 -5.048 1.00 0.00 C ATOM 0 H ILE A 581 -2.642 11.631 -4.489 1.00 0.00 H new ATOM 0 HA ILE A 581 -1.157 12.849 -2.229 1.00 0.00 H new ATOM 0 HB ILE A 581 0.935 12.160 -3.159 1.00 0.00 H new ATOM 0 HG12 ILE A 581 -0.577 10.339 -5.048 1.00 0.00 H new ATOM 0 HG13 ILE A 581 0.061 11.901 -5.524 1.00 0.00 H new ATOM 0 HG21 ILE A 581 0.870 9.790 -2.507 1.00 0.00 H new ATOM 0 HG22 ILE A 581 -0.037 10.821 -1.375 1.00 0.00 H new ATOM 0 HG23 ILE A 581 -0.908 9.827 -2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 581 1.660 10.095 -6.078 1.00 0.00 H new ATOM 0 HD12 ILE A 581 2.352 11.185 -4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 581 1.705 9.600 -4.369 1.00 0.00 H new ATOM 783 N GLY A 582 -2.245 14.434 -4.179 1.00 0.00 N ATOM 784 CA GLY A 582 -2.351 15.626 -5.004 1.00 0.00 C ATOM 785 C GLY A 582 -1.208 16.600 -4.708 1.00 0.00 C ATOM 786 O GLY A 582 -0.894 17.461 -5.529 1.00 0.00 O ATOM 0 H GLY A 582 -3.076 14.222 -3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 582 -2.332 15.347 -6.057 1.00 0.00 H new ATOM 0 HA3 GLY A 582 -3.308 16.116 -4.821 1.00 0.00 H new ATOM 790 N SER A 583 -0.618 16.432 -3.534 1.00 0.00 N ATOM 791 CA SER A 583 0.482 17.285 -3.120 1.00 0.00 C ATOM 792 C SER A 583 1.636 16.432 -2.590 1.00 0.00 C ATOM 793 O SER A 583 2.282 16.795 -1.608 1.00 0.00 O ATOM 794 CB SER A 583 0.032 18.288 -2.056 1.00 0.00 C ATOM 795 OG SER A 583 -0.279 19.560 -2.619 1.00 0.00 O ATOM 0 H SER A 583 -0.881 15.717 -2.856 1.00 0.00 H new ATOM 0 HA SER A 583 0.823 17.847 -3.989 1.00 0.00 H new ATOM 0 HB2 SER A 583 -0.843 17.898 -1.537 1.00 0.00 H new ATOM 0 HB3 SER A 583 0.819 18.404 -1.311 1.00 0.00 H new ATOM 0 HG SER A 583 -0.564 20.172 -1.908 1.00 0.00 H new ATOM 801 N ALA A 584 1.860 15.313 -3.264 1.00 0.00 N ATOM 802 CA ALA A 584 2.925 14.404 -2.873 1.00 0.00 C ATOM 803 C ALA A 584 3.390 13.614 -4.098 1.00 0.00 C ATOM 804 O ALA A 584 2.584 13.262 -4.957 1.00 0.00 O ATOM 805 CB ALA A 584 2.432 13.495 -1.745 1.00 0.00 C ATOM 0 H ALA A 584 1.322 15.015 -4.078 1.00 0.00 H new ATOM 0 HA ALA A 584 3.783 14.958 -2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 584 3.230 12.813 -1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 584 2.141 14.103 -0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 584 1.573 12.920 -2.090 1.00 0.00 H new ATOM 811 N SER A 585 4.690 13.359 -4.138 1.00 0.00 N ATOM 812 CA SER A 585 5.272 12.616 -5.243 1.00 0.00 C ATOM 813 C SER A 585 5.755 11.248 -4.758 1.00 0.00 C ATOM 814 O SER A 585 6.222 10.433 -5.552 1.00 0.00 O ATOM 815 CB SER A 585 6.428 13.392 -5.879 1.00 0.00 C ATOM 816 OG SER A 585 7.521 13.553 -4.979 1.00 0.00 O ATOM 0 H SER A 585 5.356 13.653 -3.424 1.00 0.00 H new ATOM 0 HA SER A 585 4.503 12.474 -6.002 1.00 0.00 H new ATOM 0 HB2 SER A 585 6.768 12.868 -6.773 1.00 0.00 H new ATOM 0 HB3 SER A 585 6.074 14.372 -6.199 1.00 0.00 H new ATOM 0 HG SER A 585 8.239 14.051 -5.422 1.00 0.00 H new ATOM 822 N GLN A 586 5.625 11.038 -3.456 1.00 0.00 N ATOM 823 CA GLN A 586 6.042 9.782 -2.856 1.00 0.00 C ATOM 824 C GLN A 586 5.204 9.485 -1.611 1.00 0.00 C ATOM 825 O GLN A 586 4.925 10.383 -0.817 1.00 0.00 O ATOM 826 CB GLN A 586 7.534 9.803 -2.520 1.00 0.00 C ATOM 827 CG GLN A 586 8.383 9.658 -3.785 1.00 0.00 C ATOM 828 CD GLN A 586 9.870 9.559 -3.439 1.00 0.00 C ATOM 829 OE1 GLN A 586 10.371 10.220 -2.545 1.00 0.00 O ATOM 830 NE2 GLN A 586 10.545 8.698 -4.195 1.00 0.00 N ATOM 0 H GLN A 586 5.237 11.716 -2.800 1.00 0.00 H new ATOM 0 HA GLN A 586 5.878 8.984 -3.580 1.00 0.00 H new ATOM 0 HB2 GLN A 586 7.784 10.736 -2.015 1.00 0.00 H new ATOM 0 HB3 GLN A 586 7.766 8.994 -1.827 1.00 0.00 H new ATOM 0 HG2 GLN A 586 8.074 8.769 -4.335 1.00 0.00 H new ATOM 0 HG3 GLN A 586 8.215 10.513 -4.440 1.00 0.00 H new ATOM 0 HE21 GLN A 586 10.064 8.176 -4.927 1.00 0.00 H new ATOM 0 HE22 GLN A 586 11.544 8.560 -4.043 1.00 0.00 H new ATOM 839 N LEU A 587 4.825 8.222 -1.478 1.00 0.00 N ATOM 840 CA LEU A 587 4.025 7.796 -0.343 1.00 0.00 C ATOM 841 C LEU A 587 4.403 6.362 0.032 1.00 0.00 C ATOM 842 O LEU A 587 4.385 5.469 -0.814 1.00 0.00 O ATOM 843 CB LEU A 587 2.535 7.982 -0.638 1.00 0.00 C ATOM 844 CG LEU A 587 1.581 7.704 0.525 1.00 0.00 C ATOM 845 CD1 LEU A 587 0.482 8.765 0.599 1.00 0.00 C ATOM 846 CD2 LEU A 587 1.006 6.289 0.437 1.00 0.00 C ATOM 0 H LEU A 587 5.058 7.480 -2.138 1.00 0.00 H new ATOM 0 HA LEU A 587 4.235 8.419 0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 587 2.377 9.007 -0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 587 2.265 7.329 -1.468 1.00 0.00 H new ATOM 0 HG LEU A 587 2.149 7.764 1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 587 -0.182 8.543 1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 587 0.933 9.747 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 587 -0.089 8.762 -0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 587 0.331 6.118 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 587 0.458 6.176 -0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 587 1.819 5.563 0.471 1.00 0.00 H new ATOM 858 N GLU A 588 4.737 6.185 1.302 1.00 0.00 N ATOM 859 CA GLU A 588 5.120 4.875 1.800 1.00 0.00 C ATOM 860 C GLU A 588 3.894 4.132 2.336 1.00 0.00 C ATOM 861 O GLU A 588 2.997 4.744 2.914 1.00 0.00 O ATOM 862 CB GLU A 588 6.203 4.991 2.874 1.00 0.00 C ATOM 863 CG GLU A 588 5.849 6.072 3.896 1.00 0.00 C ATOM 864 CD GLU A 588 6.604 7.371 3.605 1.00 0.00 C ATOM 865 OE1 GLU A 588 6.131 8.199 2.812 1.00 0.00 O ATOM 866 OE2 GLU A 588 7.721 7.505 4.236 1.00 0.00 O ATOM 0 H GLU A 588 4.750 6.927 2.001 1.00 0.00 H new ATOM 0 HA GLU A 588 5.536 4.301 0.972 1.00 0.00 H new ATOM 0 HB2 GLU A 588 6.323 4.033 3.380 1.00 0.00 H new ATOM 0 HB3 GLU A 588 7.159 5.226 2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 588 4.775 6.259 3.876 1.00 0.00 H new ATOM 0 HG3 GLU A 588 6.093 5.723 4.899 1.00 0.00 H new ATOM 874 N ALA A 589 3.895 2.824 2.125 1.00 0.00 N ATOM 875 CA ALA A 589 2.794 1.992 2.580 1.00 0.00 C ATOM 876 C ALA A 589 3.353 0.752 3.280 1.00 0.00 C ATOM 877 O ALA A 589 4.282 0.119 2.781 1.00 0.00 O ATOM 878 CB ALA A 589 1.898 1.637 1.392 1.00 0.00 C ATOM 0 H ALA A 589 4.641 2.320 1.645 1.00 0.00 H new ATOM 0 HA ALA A 589 2.180 2.529 3.303 1.00 0.00 H new ATOM 0 HB1 ALA A 589 1.072 1.013 1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 589 1.503 2.551 0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 589 2.480 1.094 0.647 1.00 0.00 H new ATOM 884 N ALA A 590 2.764 0.441 4.425 1.00 0.00 N ATOM 885 CA ALA A 590 3.192 -0.712 5.199 1.00 0.00 C ATOM 886 C ALA A 590 2.022 -1.689 5.339 1.00 0.00 C ATOM 887 O ALA A 590 0.872 -1.324 5.101 1.00 0.00 O ATOM 888 CB ALA A 590 3.729 -0.247 6.554 1.00 0.00 C ATOM 0 H ALA A 590 1.993 0.968 4.836 1.00 0.00 H new ATOM 0 HA ALA A 590 4.001 -1.237 4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 590 4.050 -1.112 7.134 1.00 0.00 H new ATOM 0 HB2 ALA A 590 4.576 0.421 6.400 1.00 0.00 H new ATOM 0 HB3 ALA A 590 2.944 0.282 7.095 1.00 0.00 H new ATOM 894 N PHE A 591 2.357 -2.911 5.726 1.00 0.00 N ATOM 895 CA PHE A 591 1.349 -3.943 5.901 1.00 0.00 C ATOM 896 C PHE A 591 1.378 -4.501 7.325 1.00 0.00 C ATOM 897 O PHE A 591 2.429 -4.916 7.812 1.00 0.00 O ATOM 898 CB PHE A 591 1.684 -5.066 4.918 1.00 0.00 C ATOM 899 CG PHE A 591 1.247 -4.785 3.479 1.00 0.00 C ATOM 900 CD1 PHE A 591 1.957 -3.916 2.711 1.00 0.00 C ATOM 901 CD2 PHE A 591 0.149 -5.404 2.968 1.00 0.00 C ATOM 902 CE1 PHE A 591 1.552 -3.655 1.375 1.00 0.00 C ATOM 903 CE2 PHE A 591 -0.256 -5.143 1.632 1.00 0.00 C ATOM 904 CZ PHE A 591 0.454 -4.274 0.864 1.00 0.00 C ATOM 0 H PHE A 591 3.312 -3.210 5.923 1.00 0.00 H new ATOM 0 HA PHE A 591 0.357 -3.529 5.722 1.00 0.00 H new ATOM 0 HB2 PHE A 591 2.760 -5.239 4.933 1.00 0.00 H new ATOM 0 HB3 PHE A 591 1.209 -5.986 5.258 1.00 0.00 H new ATOM 0 HD1 PHE A 591 2.829 -3.424 3.117 1.00 0.00 H new ATOM 0 HD2 PHE A 591 -0.415 -6.094 3.578 1.00 0.00 H new ATOM 0 HE1 PHE A 591 2.116 -2.965 0.765 1.00 0.00 H new ATOM 0 HE2 PHE A 591 -1.128 -5.635 1.226 1.00 0.00 H new ATOM 0 HZ PHE A 591 0.146 -4.075 -0.152 1.00 0.00 H new ATOM 914 N ASN A 592 0.211 -4.494 7.953 1.00 0.00 N ATOM 915 CA ASN A 592 0.090 -4.995 9.312 1.00 0.00 C ATOM 916 C ASN A 592 -1.236 -5.745 9.457 1.00 0.00 C ATOM 917 O ASN A 592 -2.271 -5.281 8.983 1.00 0.00 O ATOM 918 CB ASN A 592 0.098 -3.848 10.324 1.00 0.00 C ATOM 919 CG ASN A 592 -1.150 -2.975 10.174 1.00 0.00 C ATOM 920 OD1 ASN A 592 -2.171 -3.193 10.805 1.00 0.00 O ATOM 921 ND2 ASN A 592 -1.011 -1.978 9.305 1.00 0.00 N ATOM 0 H ASN A 592 -0.659 -4.150 7.546 1.00 0.00 H new ATOM 0 HA ASN A 592 0.937 -5.653 9.507 1.00 0.00 H new ATOM 0 HB2 ASN A 592 0.145 -4.251 11.336 1.00 0.00 H new ATOM 0 HB3 ASN A 592 0.991 -3.239 10.182 1.00 0.00 H new ATOM 0 HD21 ASN A 592 -1.787 -1.339 9.133 1.00 0.00 H new ATOM 0 HD22 ASN A 592 -0.128 -1.852 8.810 1.00 0.00 H new ATOM 928 N ASP A 593 -1.160 -6.892 10.116 1.00 0.00 N ATOM 929 CA ASP A 593 -2.341 -7.711 10.330 1.00 0.00 C ATOM 930 C ASP A 593 -3.430 -6.865 10.993 1.00 0.00 C ATOM 931 O ASP A 593 -4.597 -6.939 10.612 1.00 0.00 O ATOM 932 CB ASP A 593 -2.033 -8.892 11.253 1.00 0.00 C ATOM 933 CG ASP A 593 -1.805 -8.523 12.720 1.00 0.00 C ATOM 934 OD1 ASP A 593 -2.473 -9.051 13.622 1.00 0.00 O ATOM 935 OD2 ASP A 593 -0.886 -7.642 12.925 1.00 0.00 O ATOM 0 H ASP A 593 -0.299 -7.273 10.509 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.670 -8.087 9.361 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -2.858 -9.603 11.197 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -1.145 -9.403 10.880 1.00 0.00 H new ATOM 941 N GLY A 594 -3.010 -6.080 11.974 1.00 0.00 N ATOM 942 CA GLY A 594 -3.934 -5.220 12.693 1.00 0.00 C ATOM 943 C GLY A 594 -3.260 -4.590 13.914 1.00 0.00 C ATOM 944 O GLY A 594 -3.874 -4.466 14.972 1.00 0.00 O ATOM 0 H GLY A 594 -2.041 -6.022 12.288 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -4.298 -4.436 12.029 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -4.802 -5.798 13.010 1.00 0.00 H new ATOM 948 N ASN A 595 -2.006 -4.206 13.725 1.00 0.00 N ATOM 949 CA ASN A 595 -1.242 -3.591 14.797 1.00 0.00 C ATOM 950 C ASN A 595 -0.709 -4.682 15.728 1.00 0.00 C ATOM 951 O ASN A 595 -1.325 -4.986 16.749 1.00 0.00 O ATOM 952 CB ASN A 595 -2.116 -2.648 15.625 1.00 0.00 C ATOM 953 CG ASN A 595 -1.282 -1.517 16.230 1.00 0.00 C ATOM 954 OD1 ASN A 595 -0.064 -1.572 16.289 1.00 0.00 O ATOM 955 ND2 ASN A 595 -2.002 -0.492 16.676 1.00 0.00 N ATOM 0 H ASN A 595 -1.500 -4.309 12.845 1.00 0.00 H new ATOM 0 HA ASN A 595 -0.426 -3.025 14.348 1.00 0.00 H new ATOM 0 HB2 ASN A 595 -2.902 -2.229 14.997 1.00 0.00 H new ATOM 0 HB3 ASN A 595 -2.608 -3.207 16.421 1.00 0.00 H new ATOM 0 HD21 ASN A 595 -1.538 0.312 17.098 1.00 0.00 H new ATOM 0 HD22 ASN A 595 -3.019 -0.510 16.596 1.00 0.00 H new ATOM 962 N ASN A 596 0.429 -5.241 15.343 1.00 0.00 N ATOM 963 CA ASN A 596 1.051 -6.291 16.131 1.00 0.00 C ATOM 964 C ASN A 596 2.032 -7.069 15.252 1.00 0.00 C ATOM 965 O ASN A 596 3.008 -7.629 15.749 1.00 0.00 O ATOM 966 CB ASN A 596 0.006 -7.276 16.660 1.00 0.00 C ATOM 967 CG ASN A 596 -0.128 -7.169 18.180 1.00 0.00 C ATOM 968 OD1 ASN A 596 0.168 -6.152 18.786 1.00 0.00 O ATOM 969 ND2 ASN A 596 -0.588 -8.274 18.761 1.00 0.00 N ATOM 0 H ASN A 596 0.936 -4.986 14.496 1.00 0.00 H new ATOM 0 HA ASN A 596 1.563 -5.823 16.972 1.00 0.00 H new ATOM 0 HB2 ASN A 596 -0.958 -7.076 16.191 1.00 0.00 H new ATOM 0 HB3 ASN A 596 0.288 -8.293 16.387 1.00 0.00 H new ATOM 0 HD21 ASN A 596 -0.712 -8.304 19.773 1.00 0.00 H new ATOM 0 HD22 ASN A 596 -0.817 -9.091 18.194 1.00 0.00 H new ATOM 976 N ASN A 597 1.738 -7.080 13.960 1.00 0.00 N ATOM 977 CA ASN A 597 2.582 -7.781 13.007 1.00 0.00 C ATOM 978 C ASN A 597 2.728 -6.932 11.742 1.00 0.00 C ATOM 979 O ASN A 597 1.929 -7.052 10.814 1.00 0.00 O ATOM 980 CB ASN A 597 1.965 -9.123 12.607 1.00 0.00 C ATOM 981 CG ASN A 597 3.041 -10.202 12.474 1.00 0.00 C ATOM 982 OD1 ASN A 597 3.875 -10.177 11.584 1.00 0.00 O ATOM 983 ND2 ASN A 597 2.975 -11.150 13.404 1.00 0.00 N ATOM 0 H ASN A 597 0.928 -6.615 13.551 1.00 0.00 H new ATOM 0 HA ASN A 597 3.550 -7.955 13.478 1.00 0.00 H new ATOM 0 HB2 ASN A 597 1.231 -9.427 13.353 1.00 0.00 H new ATOM 0 HB3 ASN A 597 1.433 -9.016 11.661 1.00 0.00 H new ATOM 0 HD21 ASN A 597 3.648 -11.916 13.400 1.00 0.00 H new ATOM 0 HD22 ASN A 597 2.251 -11.111 14.121 1.00 0.00 H new ATOM 990 N TRP A 598 3.754 -6.094 11.745 1.00 0.00 N ATOM 991 CA TRP A 598 4.015 -5.226 10.610 1.00 0.00 C ATOM 992 C TRP A 598 5.079 -5.895 9.738 1.00 0.00 C ATOM 993 O TRP A 598 6.006 -6.518 10.253 1.00 0.00 O ATOM 994 CB TRP A 598 4.415 -3.823 11.072 1.00 0.00 C ATOM 995 CG TRP A 598 3.363 -3.130 11.940 1.00 0.00 C ATOM 996 CD1 TRP A 598 2.923 -3.495 13.152 1.00 0.00 C ATOM 997 CD2 TRP A 598 2.632 -1.930 11.612 1.00 0.00 C ATOM 998 NE1 TRP A 598 1.966 -2.622 13.627 1.00 0.00 N ATOM 999 CE2 TRP A 598 1.784 -1.639 12.660 1.00 0.00 C ATOM 1000 CE3 TRP A 598 2.686 -1.116 10.466 1.00 0.00 C ATOM 1001 CZ2 TRP A 598 0.925 -0.533 12.668 1.00 0.00 C ATOM 1002 CZ3 TRP A 598 1.822 -0.015 10.490 1.00 0.00 C ATOM 1003 CH2 TRP A 598 0.962 0.291 11.538 1.00 0.00 C ATOM 0 H TRP A 598 4.415 -5.998 12.516 1.00 0.00 H new ATOM 0 HA TRP A 598 3.113 -5.089 10.014 1.00 0.00 H new ATOM 0 HB2 TRP A 598 5.348 -3.888 11.632 1.00 0.00 H new ATOM 0 HB3 TRP A 598 4.612 -3.206 10.196 1.00 0.00 H new ATOM 0 HD1 TRP A 598 3.274 -4.364 13.690 1.00 0.00 H new ATOM 0 HE1 TRP A 598 1.481 -2.686 14.522 1.00 0.00 H new ATOM 0 HE3 TRP A 598 3.342 -1.324 9.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 598 0.270 -0.327 13.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 598 1.824 0.643 9.634 1.00 0.00 H new ATOM 0 HH2 TRP A 598 0.325 1.161 11.480 1.00 0.00 H new ATOM 1014 N ASP A 599 4.912 -5.742 8.433 1.00 0.00 N ATOM 1015 CA ASP A 599 5.847 -6.323 7.485 1.00 0.00 C ATOM 1016 C ASP A 599 6.486 -5.208 6.655 1.00 0.00 C ATOM 1017 O ASP A 599 6.602 -5.325 5.436 1.00 0.00 O ATOM 1018 CB ASP A 599 5.135 -7.278 6.524 1.00 0.00 C ATOM 1019 CG ASP A 599 5.974 -8.471 6.059 1.00 0.00 C ATOM 1020 OD1 ASP A 599 7.159 -8.326 5.725 1.00 0.00 O ATOM 1021 OD2 ASP A 599 5.353 -9.602 6.046 1.00 0.00 O ATOM 0 H ASP A 599 4.142 -5.224 8.009 1.00 0.00 H new ATOM 0 HA ASP A 599 6.600 -6.873 8.049 1.00 0.00 H new ATOM 0 HB2 ASP A 599 4.234 -7.654 7.010 1.00 0.00 H new ATOM 0 HB3 ASP A 599 4.814 -6.715 5.648 1.00 0.00 H new ATOM 1027 N SER A 600 6.882 -4.151 7.349 1.00 0.00 N ATOM 1028 CA SER A 600 7.506 -3.015 6.692 1.00 0.00 C ATOM 1029 C SER A 600 9.021 -3.219 6.621 1.00 0.00 C ATOM 1030 O SER A 600 9.786 -2.266 6.761 1.00 0.00 O ATOM 1031 CB SER A 600 7.180 -1.710 7.420 1.00 0.00 C ATOM 1032 OG SER A 600 7.663 -1.711 8.761 1.00 0.00 O ATOM 0 H SER A 600 6.783 -4.057 8.360 1.00 0.00 H new ATOM 0 HA SER A 600 7.107 -2.944 5.680 1.00 0.00 H new ATOM 0 HB2 SER A 600 7.619 -0.873 6.877 1.00 0.00 H new ATOM 0 HB3 SER A 600 6.101 -1.557 7.424 1.00 0.00 H new ATOM 0 HG SER A 600 7.436 -0.860 9.191 1.00 0.00 H new ATOM 1038 N ASN A 601 9.408 -4.467 6.403 1.00 0.00 N ATOM 1039 CA ASN A 601 10.818 -4.807 6.311 1.00 0.00 C ATOM 1040 C ASN A 601 11.507 -4.467 7.634 1.00 0.00 C ATOM 1041 O ASN A 601 12.715 -4.234 7.667 1.00 0.00 O ATOM 1042 CB ASN A 601 11.506 -4.012 5.200 1.00 0.00 C ATOM 1043 CG ASN A 601 12.860 -4.628 4.842 1.00 0.00 C ATOM 1044 OD1 ASN A 601 13.150 -5.773 5.147 1.00 0.00 O ATOM 1045 ND2 ASN A 601 13.670 -3.806 4.181 1.00 0.00 N ATOM 0 H ASN A 601 8.770 -5.255 6.287 1.00 0.00 H new ATOM 0 HA ASN A 601 10.894 -5.872 6.091 1.00 0.00 H new ATOM 0 HB2 ASN A 601 10.868 -3.989 4.316 1.00 0.00 H new ATOM 0 HB3 ASN A 601 11.646 -2.979 5.520 1.00 0.00 H new ATOM 0 HD21 ASN A 601 14.597 -4.123 3.898 1.00 0.00 H new ATOM 0 HD22 ASN A 601 13.364 -2.859 3.957 1.00 0.00 H new ATOM 1052 N ASN A 602 10.710 -4.448 8.692 1.00 0.00 N ATOM 1053 CA ASN A 602 11.229 -4.140 10.014 1.00 0.00 C ATOM 1054 C ASN A 602 11.321 -2.621 10.180 1.00 0.00 C ATOM 1055 O ASN A 602 10.822 -2.069 11.159 1.00 0.00 O ATOM 1056 CB ASN A 602 12.631 -4.721 10.205 1.00 0.00 C ATOM 1057 CG ASN A 602 12.807 -5.274 11.621 1.00 0.00 C ATOM 1058 OD1 ASN A 602 12.301 -4.736 12.592 1.00 0.00 O ATOM 1059 ND2 ASN A 602 13.551 -6.374 11.684 1.00 0.00 N ATOM 0 H ASN A 602 9.709 -4.641 8.661 1.00 0.00 H new ATOM 0 HA ASN A 602 10.554 -4.576 10.751 1.00 0.00 H new ATOM 0 HB2 ASN A 602 12.802 -5.514 9.477 1.00 0.00 H new ATOM 0 HB3 ASN A 602 13.377 -3.949 10.017 1.00 0.00 H new ATOM 0 HD21 ASN A 602 13.728 -6.819 12.585 1.00 0.00 H new ATOM 0 HD22 ASN A 602 13.945 -6.773 10.832 1.00 0.00 H new ATOM 1066 N THR A 603 11.962 -1.990 9.207 1.00 0.00 N ATOM 1067 CA THR A 603 12.125 -0.546 9.233 1.00 0.00 C ATOM 1068 C THR A 603 12.493 -0.026 7.842 1.00 0.00 C ATOM 1069 O THR A 603 13.074 -0.753 7.038 1.00 0.00 O ATOM 1070 CB THR A 603 13.165 -0.207 10.303 1.00 0.00 C ATOM 1071 OG1 THR A 603 12.428 -0.233 11.523 1.00 0.00 O ATOM 1072 CG2 THR A 603 13.662 1.236 10.200 1.00 0.00 C ATOM 0 H THR A 603 12.374 -2.452 8.396 1.00 0.00 H new ATOM 0 HA THR A 603 11.192 -0.047 9.496 1.00 0.00 H new ATOM 0 HB THR A 603 14.011 -0.889 10.216 1.00 0.00 H new ATOM 0 HG1 THR A 603 11.526 -0.575 11.353 1.00 0.00 H new ATOM 0 HG21 THR A 603 14.398 1.424 10.982 1.00 0.00 H new ATOM 0 HG22 THR A 603 14.121 1.394 9.224 1.00 0.00 H new ATOM 0 HG23 THR A 603 12.822 1.920 10.321 1.00 0.00 H new ATOM 1080 N LYS A 604 12.140 1.228 7.602 1.00 0.00 N ATOM 1081 CA LYS A 604 12.426 1.854 6.322 1.00 0.00 C ATOM 1082 C LYS A 604 11.479 1.291 5.261 1.00 0.00 C ATOM 1083 O LYS A 604 11.897 0.525 4.394 1.00 0.00 O ATOM 1084 CB LYS A 604 13.907 1.699 5.969 1.00 0.00 C ATOM 1085 CG LYS A 604 14.661 3.014 6.181 1.00 0.00 C ATOM 1086 CD LYS A 604 14.976 3.687 4.844 1.00 0.00 C ATOM 1087 CE LYS A 604 16.040 4.773 5.014 1.00 0.00 C ATOM 1088 NZ LYS A 604 15.931 5.780 3.935 1.00 0.00 N ATOM 0 H LYS A 604 11.659 1.828 8.272 1.00 0.00 H new ATOM 0 HA LYS A 604 12.245 2.928 6.374 1.00 0.00 H new ATOM 0 HB2 LYS A 604 14.352 0.917 6.585 1.00 0.00 H new ATOM 0 HB3 LYS A 604 14.006 1.382 4.931 1.00 0.00 H new ATOM 0 HG2 LYS A 604 14.063 3.685 6.798 1.00 0.00 H new ATOM 0 HG3 LYS A 604 15.587 2.823 6.723 1.00 0.00 H new ATOM 0 HD2 LYS A 604 15.324 2.940 4.130 1.00 0.00 H new ATOM 0 HD3 LYS A 604 14.068 4.125 4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 604 15.923 5.257 5.984 1.00 0.00 H new ATOM 0 HE3 LYS A 604 17.033 4.323 5.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 16.661 6.509 4.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 16.066 5.317 3.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 14.990 6.222 3.966 1.00 0.00 H new ATOM 1101 N ASN A 605 10.220 1.692 5.364 1.00 0.00 N ATOM 1102 CA ASN A 605 9.210 1.236 4.424 1.00 0.00 C ATOM 1103 C ASN A 605 9.662 1.564 2.999 1.00 0.00 C ATOM 1104 O ASN A 605 10.836 1.842 2.765 1.00 0.00 O ATOM 1105 CB ASN A 605 7.873 1.938 4.669 1.00 0.00 C ATOM 1106 CG ASN A 605 7.571 2.034 6.166 1.00 0.00 C ATOM 1107 OD1 ASN A 605 6.892 1.201 6.743 1.00 0.00 O ATOM 1108 ND2 ASN A 605 8.111 3.094 6.760 1.00 0.00 N ATOM 0 H ASN A 605 9.877 2.328 6.084 1.00 0.00 H new ATOM 0 HA ASN A 605 9.083 0.162 4.559 1.00 0.00 H new ATOM 0 HB2 ASN A 605 7.898 2.937 4.234 1.00 0.00 H new ATOM 0 HB3 ASN A 605 7.074 1.392 4.167 1.00 0.00 H new ATOM 0 HD21 ASN A 605 7.967 3.248 7.758 1.00 0.00 H new ATOM 0 HD22 ASN A 605 8.669 3.753 6.218 1.00 0.00 H new ATOM 1115 N TYR A 606 8.704 1.519 2.084 1.00 0.00 N ATOM 1116 CA TYR A 606 8.988 1.807 0.689 1.00 0.00 C ATOM 1117 C TYR A 606 8.359 3.136 0.264 1.00 0.00 C ATOM 1118 O TYR A 606 7.474 3.653 0.944 1.00 0.00 O ATOM 1119 CB TYR A 606 8.348 0.674 -0.115 1.00 0.00 C ATOM 1120 CG TYR A 606 9.012 -0.689 0.094 1.00 0.00 C ATOM 1121 CD1 TYR A 606 10.357 -0.849 -0.167 1.00 0.00 C ATOM 1122 CD2 TYR A 606 8.264 -1.759 0.544 1.00 0.00 C ATOM 1123 CE1 TYR A 606 10.982 -2.131 0.030 1.00 0.00 C ATOM 1124 CE2 TYR A 606 8.889 -3.041 0.740 1.00 0.00 C ATOM 1125 CZ TYR A 606 10.217 -3.164 0.474 1.00 0.00 C ATOM 1126 OH TYR A 606 10.806 -4.376 0.660 1.00 0.00 O ATOM 0 H TYR A 606 7.731 1.287 2.282 1.00 0.00 H new ATOM 0 HA TYR A 606 10.063 1.881 0.524 1.00 0.00 H new ATOM 0 HB2 TYR A 606 7.295 0.599 0.157 1.00 0.00 H new ATOM 0 HB3 TYR A 606 8.387 0.927 -1.175 1.00 0.00 H new ATOM 0 HD1 TYR A 606 10.942 -0.012 -0.519 1.00 0.00 H new ATOM 0 HD2 TYR A 606 7.211 -1.634 0.749 1.00 0.00 H new ATOM 0 HE1 TYR A 606 12.034 -2.269 -0.170 1.00 0.00 H new ATOM 0 HE2 TYR A 606 8.316 -3.887 1.091 1.00 0.00 H new ATOM 0 HH TYR A 606 11.747 -4.249 0.902 1.00 0.00 H new ATOM 1136 N LEU A 607 8.842 3.651 -0.858 1.00 0.00 N ATOM 1137 CA LEU A 607 8.338 4.909 -1.381 1.00 0.00 C ATOM 1138 C LEU A 607 7.737 4.675 -2.768 1.00 0.00 C ATOM 1139 O LEU A 607 8.424 4.209 -3.676 1.00 0.00 O ATOM 1140 CB LEU A 607 9.434 5.976 -1.357 1.00 0.00 C ATOM 1141 CG LEU A 607 10.860 5.478 -1.599 1.00 0.00 C ATOM 1142 CD1 LEU A 607 11.321 4.564 -0.462 1.00 0.00 C ATOM 1143 CD2 LEU A 607 10.981 4.800 -2.965 1.00 0.00 C ATOM 0 H LEU A 607 9.577 3.220 -1.419 1.00 0.00 H new ATOM 0 HA LEU A 607 7.538 5.293 -0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 607 9.199 6.727 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 607 9.405 6.477 -0.389 1.00 0.00 H new ATOM 0 HG LEU A 607 11.526 6.341 -1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 607 12.338 4.224 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 607 11.298 5.114 0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 607 10.656 3.703 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 607 12.005 4.456 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 607 10.302 3.949 -3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 607 10.723 5.512 -3.749 1.00 0.00 H new ATOM 1155 N PHE A 608 6.460 5.010 -2.889 1.00 0.00 N ATOM 1156 CA PHE A 608 5.759 4.842 -4.150 1.00 0.00 C ATOM 1157 C PHE A 608 5.078 6.144 -4.576 1.00 0.00 C ATOM 1158 O PHE A 608 4.573 6.888 -3.737 1.00 0.00 O ATOM 1159 CB PHE A 608 4.690 3.770 -3.929 1.00 0.00 C ATOM 1160 CG PHE A 608 5.195 2.531 -3.186 1.00 0.00 C ATOM 1161 CD1 PHE A 608 6.306 1.881 -3.625 1.00 0.00 C ATOM 1162 CD2 PHE A 608 4.534 2.082 -2.086 1.00 0.00 C ATOM 1163 CE1 PHE A 608 6.775 0.731 -2.936 1.00 0.00 C ATOM 1164 CE2 PHE A 608 5.003 0.932 -1.396 1.00 0.00 C ATOM 1165 CZ PHE A 608 6.114 0.282 -1.836 1.00 0.00 C ATOM 0 H PHE A 608 5.893 5.397 -2.134 1.00 0.00 H new ATOM 0 HA PHE A 608 6.463 4.559 -4.932 1.00 0.00 H new ATOM 0 HB2 PHE A 608 3.864 4.206 -3.368 1.00 0.00 H new ATOM 0 HB3 PHE A 608 4.292 3.464 -4.896 1.00 0.00 H new ATOM 0 HD1 PHE A 608 6.832 2.239 -4.498 1.00 0.00 H new ATOM 0 HD2 PHE A 608 3.653 2.599 -1.737 1.00 0.00 H new ATOM 0 HE1 PHE A 608 7.656 0.214 -3.286 1.00 0.00 H new ATOM 0 HE2 PHE A 608 4.478 0.574 -0.523 1.00 0.00 H new ATOM 0 HZ PHE A 608 6.471 -0.592 -1.311 1.00 0.00 H new ATOM 1175 N SER A 609 5.085 6.379 -5.880 1.00 0.00 N ATOM 1176 CA SER A 609 4.474 7.579 -6.427 1.00 0.00 C ATOM 1177 C SER A 609 3.236 7.208 -7.246 1.00 0.00 C ATOM 1178 O SER A 609 3.000 6.034 -7.525 1.00 0.00 O ATOM 1179 CB SER A 609 5.468 8.358 -7.292 1.00 0.00 C ATOM 1180 OG SER A 609 4.993 9.664 -7.606 1.00 0.00 O ATOM 0 H SER A 609 5.504 5.759 -6.573 1.00 0.00 H new ATOM 0 HA SER A 609 4.175 8.220 -5.597 1.00 0.00 H new ATOM 0 HB2 SER A 609 6.421 8.435 -6.769 1.00 0.00 H new ATOM 0 HB3 SER A 609 5.654 7.808 -8.215 1.00 0.00 H new ATOM 0 HG SER A 609 5.463 10.324 -7.056 1.00 0.00 H new ATOM 1186 N THR A 610 2.476 8.232 -7.607 1.00 0.00 N ATOM 1187 CA THR A 610 1.268 8.029 -8.387 1.00 0.00 C ATOM 1188 C THR A 610 1.515 7.006 -9.497 1.00 0.00 C ATOM 1189 O THR A 610 2.662 6.690 -9.811 1.00 0.00 O ATOM 1190 CB THR A 610 0.807 9.392 -8.909 1.00 0.00 C ATOM 1191 OG1 THR A 610 1.944 9.901 -9.600 1.00 0.00 O ATOM 1192 CG2 THR A 610 0.572 10.401 -7.783 1.00 0.00 C ATOM 0 H THR A 610 2.674 9.205 -7.373 1.00 0.00 H new ATOM 0 HA THR A 610 0.468 7.611 -7.775 1.00 0.00 H new ATOM 0 HB THR A 610 -0.111 9.269 -9.484 1.00 0.00 H new ATOM 0 HG1 THR A 610 1.733 10.782 -9.973 1.00 0.00 H new ATOM 0 HG21 THR A 610 0.247 11.351 -8.208 1.00 0.00 H new ATOM 0 HG22 THR A 610 -0.197 10.022 -7.110 1.00 0.00 H new ATOM 0 HG23 THR A 610 1.499 10.550 -7.229 1.00 0.00 H new ATOM 1200 N GLY A 611 0.421 6.516 -10.061 1.00 0.00 N ATOM 1201 CA GLY A 611 0.505 5.535 -11.130 1.00 0.00 C ATOM 1202 C GLY A 611 0.007 4.167 -10.659 1.00 0.00 C ATOM 1203 O GLY A 611 -0.911 4.083 -9.844 1.00 0.00 O ATOM 0 H GLY A 611 -0.529 6.780 -9.798 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -0.088 5.868 -11.982 1.00 0.00 H new ATOM 0 HA3 GLY A 611 1.537 5.452 -11.472 1.00 0.00 H new ATOM 1207 N THR A 612 0.635 3.129 -11.191 1.00 0.00 N ATOM 1208 CA THR A 612 0.267 1.769 -10.835 1.00 0.00 C ATOM 1209 C THR A 612 1.469 1.028 -10.245 1.00 0.00 C ATOM 1210 O THR A 612 2.573 1.101 -10.783 1.00 0.00 O ATOM 1211 CB THR A 612 -0.311 1.094 -12.081 1.00 0.00 C ATOM 1212 OG1 THR A 612 -1.304 2.006 -12.541 1.00 0.00 O ATOM 1213 CG2 THR A 612 -1.097 -0.176 -11.748 1.00 0.00 C ATOM 0 H THR A 612 1.396 3.202 -11.866 1.00 0.00 H new ATOM 0 HA THR A 612 -0.496 1.757 -10.057 1.00 0.00 H new ATOM 0 HB THR A 612 0.498 0.850 -12.769 1.00 0.00 H new ATOM 0 HG1 THR A 612 -1.729 1.647 -13.348 1.00 0.00 H new ATOM 0 HG21 THR A 612 -1.485 -0.615 -12.667 1.00 0.00 H new ATOM 0 HG22 THR A 612 -0.440 -0.891 -11.253 1.00 0.00 H new ATOM 0 HG23 THR A 612 -1.927 0.073 -11.086 1.00 0.00 H new ATOM 1221 N SER A 613 1.213 0.332 -9.147 1.00 0.00 N ATOM 1222 CA SER A 613 2.260 -0.421 -8.478 1.00 0.00 C ATOM 1223 C SER A 613 1.697 -1.740 -7.944 1.00 0.00 C ATOM 1224 O SER A 613 0.491 -1.863 -7.732 1.00 0.00 O ATOM 1225 CB SER A 613 2.881 0.391 -7.340 1.00 0.00 C ATOM 1226 OG SER A 613 3.228 1.710 -7.752 1.00 0.00 O ATOM 0 H SER A 613 0.296 0.274 -8.704 1.00 0.00 H new ATOM 0 HA SER A 613 3.044 -0.636 -9.204 1.00 0.00 H new ATOM 0 HB2 SER A 613 2.179 0.444 -6.508 1.00 0.00 H new ATOM 0 HB3 SER A 613 3.771 -0.120 -6.974 1.00 0.00 H new ATOM 0 HG SER A 613 3.620 2.196 -6.997 1.00 0.00 H new ATOM 1232 N THR A 614 2.596 -2.692 -7.742 1.00 0.00 N ATOM 1233 CA THR A 614 2.203 -3.996 -7.236 1.00 0.00 C ATOM 1234 C THR A 614 3.130 -4.428 -6.098 1.00 0.00 C ATOM 1235 O THR A 614 4.322 -4.644 -6.311 1.00 0.00 O ATOM 1236 CB THR A 614 2.189 -4.974 -8.412 1.00 0.00 C ATOM 1237 OG1 THR A 614 1.520 -4.262 -9.449 1.00 0.00 O ATOM 1238 CG2 THR A 614 1.293 -6.187 -8.155 1.00 0.00 C ATOM 0 H THR A 614 3.595 -2.586 -7.920 1.00 0.00 H new ATOM 0 HA THR A 614 1.202 -3.968 -6.805 1.00 0.00 H new ATOM 0 HB THR A 614 3.206 -5.310 -8.615 1.00 0.00 H new ATOM 0 HG1 THR A 614 1.607 -4.754 -10.292 1.00 0.00 H new ATOM 0 HG21 THR A 614 1.319 -6.849 -9.021 1.00 0.00 H new ATOM 0 HG22 THR A 614 1.651 -6.724 -7.277 1.00 0.00 H new ATOM 0 HG23 THR A 614 0.269 -5.854 -7.984 1.00 0.00 H new ATOM 1246 N TYR A 615 2.546 -4.540 -4.913 1.00 0.00 N ATOM 1247 CA TYR A 615 3.305 -4.942 -3.741 1.00 0.00 C ATOM 1248 C TYR A 615 3.144 -6.440 -3.471 1.00 0.00 C ATOM 1249 O TYR A 615 2.052 -6.901 -3.143 1.00 0.00 O ATOM 1250 CB TYR A 615 2.714 -4.158 -2.567 1.00 0.00 C ATOM 1251 CG TYR A 615 3.374 -4.462 -1.221 1.00 0.00 C ATOM 1252 CD1 TYR A 615 4.577 -3.870 -0.893 1.00 0.00 C ATOM 1253 CD2 TYR A 615 2.767 -5.328 -0.334 1.00 0.00 C ATOM 1254 CE1 TYR A 615 5.198 -4.156 0.374 1.00 0.00 C ATOM 1255 CE2 TYR A 615 3.388 -5.614 0.933 1.00 0.00 C ATOM 1256 CZ TYR A 615 4.573 -5.014 1.225 1.00 0.00 C ATOM 1257 OH TYR A 615 5.160 -5.284 2.422 1.00 0.00 O ATOM 0 H TYR A 615 1.557 -4.359 -4.740 1.00 0.00 H new ATOM 0 HA TYR A 615 4.367 -4.743 -3.884 1.00 0.00 H new ATOM 0 HB2 TYR A 615 2.806 -3.092 -2.773 1.00 0.00 H new ATOM 0 HB3 TYR A 615 1.649 -4.378 -2.496 1.00 0.00 H new ATOM 0 HD1 TYR A 615 5.052 -3.192 -1.587 1.00 0.00 H new ATOM 0 HD2 TYR A 615 1.826 -5.791 -0.591 1.00 0.00 H new ATOM 0 HE1 TYR A 615 6.139 -3.700 0.643 1.00 0.00 H new ATOM 0 HE2 TYR A 615 2.923 -6.290 1.636 1.00 0.00 H new ATOM 0 HH TYR A 615 4.601 -5.911 2.926 1.00 0.00 H new ATOM 1267 N THR A 616 4.248 -7.157 -3.618 1.00 0.00 N ATOM 1268 CA THR A 616 4.243 -8.593 -3.395 1.00 0.00 C ATOM 1269 C THR A 616 5.222 -8.961 -2.278 1.00 0.00 C ATOM 1270 O THR A 616 6.426 -9.056 -2.509 1.00 0.00 O ATOM 1271 CB THR A 616 4.554 -9.280 -4.726 1.00 0.00 C ATOM 1272 OG1 THR A 616 3.541 -8.803 -5.607 1.00 0.00 O ATOM 1273 CG2 THR A 616 4.321 -10.791 -4.673 1.00 0.00 C ATOM 0 H THR A 616 5.152 -6.771 -3.889 1.00 0.00 H new ATOM 0 HA THR A 616 3.266 -8.938 -3.056 1.00 0.00 H new ATOM 0 HB THR A 616 5.589 -9.082 -5.004 1.00 0.00 H new ATOM 0 HG1 THR A 616 3.668 -9.197 -6.495 1.00 0.00 H new ATOM 0 HG21 THR A 616 4.556 -11.230 -5.643 1.00 0.00 H new ATOM 0 HG22 THR A 616 4.963 -11.232 -3.910 1.00 0.00 H new ATOM 0 HG23 THR A 616 3.278 -10.990 -4.429 1.00 0.00 H new ATOM 1281 N PRO A 617 4.653 -9.165 -1.059 1.00 0.00 N ATOM 1282 CA PRO A 617 5.462 -9.522 0.094 1.00 0.00 C ATOM 1283 C PRO A 617 5.908 -10.984 0.019 1.00 0.00 C ATOM 1284 O PRO A 617 5.435 -11.739 -0.828 1.00 0.00 O ATOM 1285 CB PRO A 617 4.580 -9.231 1.298 1.00 0.00 C ATOM 1286 CG PRO A 617 3.158 -9.164 0.766 1.00 0.00 C ATOM 1287 CD PRO A 617 3.230 -9.062 -0.749 1.00 0.00 C ATOM 0 HA PRO A 617 6.390 -8.953 0.150 1.00 0.00 H new ATOM 0 HB2 PRO A 617 4.679 -10.012 2.052 1.00 0.00 H new ATOM 0 HB3 PRO A 617 4.864 -8.292 1.773 1.00 0.00 H new ATOM 0 HG2 PRO A 617 2.598 -10.051 1.062 1.00 0.00 H new ATOM 0 HG3 PRO A 617 2.635 -8.303 1.182 1.00 0.00 H new ATOM 0 HD2 PRO A 617 2.662 -9.860 -1.227 1.00 0.00 H new ATOM 0 HD3 PRO A 617 2.815 -8.118 -1.103 1.00 0.00 H new ATOM 1295 N GLY A 618 6.815 -11.338 0.918 1.00 0.00 N ATOM 1296 CA GLY A 618 7.331 -12.696 0.965 1.00 0.00 C ATOM 1297 C GLY A 618 6.625 -13.514 2.048 1.00 0.00 C ATOM 1298 O GLY A 618 5.512 -13.183 2.455 1.00 0.00 O ATOM 0 H GLY A 618 7.206 -10.709 1.619 1.00 0.00 H new ATOM 0 HA2 GLY A 618 7.194 -13.175 -0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 618 8.403 -12.675 1.161 1.00 0.00 H new ATOM 1302 N SER A 619 7.301 -14.566 2.486 1.00 0.00 N ATOM 1303 CA SER A 619 6.753 -15.433 3.514 1.00 0.00 C ATOM 1304 C SER A 619 7.784 -15.646 4.624 1.00 0.00 C ATOM 1305 O SER A 619 8.985 -15.685 4.361 1.00 0.00 O ATOM 1306 CB SER A 619 6.320 -16.778 2.927 1.00 0.00 C ATOM 1307 OG SER A 619 5.219 -17.341 3.636 1.00 0.00 O ATOM 0 H SER A 619 8.224 -14.837 2.147 1.00 0.00 H new ATOM 0 HA SER A 619 5.871 -14.949 3.934 1.00 0.00 H new ATOM 0 HB2 SER A 619 6.047 -16.646 1.880 1.00 0.00 H new ATOM 0 HB3 SER A 619 7.160 -17.472 2.952 1.00 0.00 H new ATOM 0 HG SER A 619 4.972 -18.198 3.229 1.00 0.00 H new ATOM 1313 N ASN A 620 7.277 -15.779 5.841 1.00 0.00 N ATOM 1314 CA ASN A 620 8.140 -15.986 6.992 1.00 0.00 C ATOM 1315 C ASN A 620 8.790 -14.658 7.383 1.00 0.00 C ATOM 1316 O ASN A 620 9.993 -14.602 7.636 1.00 0.00 O ATOM 1317 CB ASN A 620 9.255 -16.983 6.672 1.00 0.00 C ATOM 1318 CG ASN A 620 9.760 -17.669 7.943 1.00 0.00 C ATOM 1319 OD1 ASN A 620 9.132 -18.562 8.488 1.00 0.00 O ATOM 1320 ND2 ASN A 620 10.925 -17.203 8.383 1.00 0.00 N ATOM 0 H ASN A 620 6.280 -15.747 6.055 1.00 0.00 H new ATOM 0 HA ASN A 620 7.529 -16.378 7.805 1.00 0.00 H new ATOM 0 HB2 ASN A 620 8.887 -17.733 5.972 1.00 0.00 H new ATOM 0 HB3 ASN A 620 10.080 -16.466 6.181 1.00 0.00 H new ATOM 0 HD21 ASN A 620 11.346 -17.595 9.225 1.00 0.00 H new ATOM 0 HD22 ASN A 620 11.398 -16.453 7.878 1.00 0.00 H new ATOM 1327 N GLY A 621 7.967 -13.621 7.420 1.00 0.00 N ATOM 1328 CA GLY A 621 8.447 -12.296 7.776 1.00 0.00 C ATOM 1329 C GLY A 621 9.656 -11.904 6.924 1.00 0.00 C ATOM 1330 O GLY A 621 10.676 -11.465 7.453 1.00 0.00 O ATOM 0 H GLY A 621 6.970 -13.671 7.209 1.00 0.00 H new ATOM 0 HA2 GLY A 621 7.649 -11.567 7.638 1.00 0.00 H new ATOM 0 HA3 GLY A 621 8.719 -12.275 8.831 1.00 0.00 H new ATOM 1334 N ALA A 622 9.502 -12.077 5.619 1.00 0.00 N ATOM 1335 CA ALA A 622 10.568 -11.747 4.690 1.00 0.00 C ATOM 1336 C ALA A 622 10.052 -10.733 3.667 1.00 0.00 C ATOM 1337 O ALA A 622 9.302 -11.089 2.759 1.00 0.00 O ATOM 1338 CB ALA A 622 11.086 -13.027 4.031 1.00 0.00 C ATOM 0 H ALA A 622 8.655 -12.442 5.184 1.00 0.00 H new ATOM 0 HA ALA A 622 11.406 -11.288 5.215 1.00 0.00 H new ATOM 0 HB1 ALA A 622 11.886 -12.779 3.334 1.00 0.00 H new ATOM 0 HB2 ALA A 622 11.468 -13.702 4.797 1.00 0.00 H new ATOM 0 HB3 ALA A 622 10.273 -13.514 3.492 1.00 0.00 H new ATOM 1344 N ALA A 623 10.473 -9.490 3.849 1.00 0.00 N ATOM 1345 CA ALA A 623 10.063 -8.422 2.954 1.00 0.00 C ATOM 1346 C ALA A 623 10.073 -8.937 1.513 1.00 0.00 C ATOM 1347 O ALA A 623 10.891 -9.786 1.160 1.00 0.00 O ATOM 1348 CB ALA A 623 10.980 -7.213 3.147 1.00 0.00 C ATOM 0 H ALA A 623 11.094 -9.199 4.604 1.00 0.00 H new ATOM 0 HA ALA A 623 9.047 -8.100 3.182 1.00 0.00 H new ATOM 0 HB1 ALA A 623 10.672 -6.412 2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 623 10.914 -6.867 4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 623 12.009 -7.497 2.925 1.00 0.00 H new ATOM 1354 N GLY A 624 9.156 -8.403 0.721 1.00 0.00 N ATOM 1355 CA GLY A 624 9.049 -8.799 -0.673 1.00 0.00 C ATOM 1356 C GLY A 624 9.598 -7.708 -1.596 1.00 0.00 C ATOM 1357 O GLY A 624 10.670 -7.160 -1.346 1.00 0.00 O ATOM 0 H GLY A 624 8.480 -7.699 1.018 1.00 0.00 H new ATOM 0 HA2 GLY A 624 9.597 -9.727 -0.834 1.00 0.00 H new ATOM 0 HA3 GLY A 624 8.006 -8.998 -0.919 1.00 0.00 H new ATOM 1361 N THR A 625 8.837 -7.427 -2.644 1.00 0.00 N ATOM 1362 CA THR A 625 9.233 -6.412 -3.605 1.00 0.00 C ATOM 1363 C THR A 625 8.000 -5.784 -4.257 1.00 0.00 C ATOM 1364 O THR A 625 6.911 -6.355 -4.212 1.00 0.00 O ATOM 1365 CB THR A 625 10.188 -7.060 -4.610 1.00 0.00 C ATOM 1366 OG1 THR A 625 9.552 -8.288 -4.951 1.00 0.00 O ATOM 1367 CG2 THR A 625 11.510 -7.489 -3.969 1.00 0.00 C ATOM 0 H THR A 625 7.949 -7.885 -2.848 1.00 0.00 H new ATOM 0 HA THR A 625 9.758 -5.590 -3.118 1.00 0.00 H new ATOM 0 HB THR A 625 10.389 -6.361 -5.422 1.00 0.00 H new ATOM 0 HG1 THR A 625 10.103 -8.772 -5.601 1.00 0.00 H new ATOM 0 HG21 THR A 625 12.151 -7.943 -4.725 1.00 0.00 H new ATOM 0 HG22 THR A 625 12.009 -6.617 -3.546 1.00 0.00 H new ATOM 0 HG23 THR A 625 11.313 -8.213 -3.179 1.00 0.00 H new ATOM 1375 N ILE A 626 8.211 -4.617 -4.847 1.00 0.00 N ATOM 1376 CA ILE A 626 7.130 -3.905 -5.507 1.00 0.00 C ATOM 1377 C ILE A 626 7.453 -3.761 -6.995 1.00 0.00 C ATOM 1378 O ILE A 626 8.581 -3.432 -7.360 1.00 0.00 O ATOM 1379 CB ILE A 626 6.859 -2.572 -4.805 1.00 0.00 C ATOM 1380 CG1 ILE A 626 7.535 -2.528 -3.433 1.00 0.00 C ATOM 1381 CG2 ILE A 626 5.357 -2.296 -4.714 1.00 0.00 C ATOM 1382 CD1 ILE A 626 8.988 -2.063 -3.553 1.00 0.00 C ATOM 0 H ILE A 626 9.115 -4.146 -4.882 1.00 0.00 H new ATOM 0 HA ILE A 626 6.202 -4.472 -5.435 1.00 0.00 H new ATOM 0 HB ILE A 626 7.297 -1.774 -5.405 1.00 0.00 H new ATOM 0 HG12 ILE A 626 6.987 -1.854 -2.775 1.00 0.00 H new ATOM 0 HG13 ILE A 626 7.502 -3.517 -2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 626 5.192 -1.343 -4.211 1.00 0.00 H new ATOM 0 HG22 ILE A 626 4.933 -2.255 -5.717 1.00 0.00 H new ATOM 0 HG23 ILE A 626 4.874 -3.093 -4.149 1.00 0.00 H new ATOM 0 HD11 ILE A 626 9.446 -2.040 -2.564 1.00 0.00 H new ATOM 0 HD12 ILE A 626 9.539 -2.753 -4.192 1.00 0.00 H new ATOM 0 HD13 ILE A 626 9.016 -1.064 -3.988 1.00 0.00 H new ATOM 1394 N ARG A 627 6.444 -4.016 -7.815 1.00 0.00 N ATOM 1395 CA ARG A 627 6.606 -3.919 -9.255 1.00 0.00 C ATOM 1396 C ARG A 627 5.621 -2.901 -9.833 1.00 0.00 C ATOM 1397 O ARG A 627 4.411 -3.031 -9.654 1.00 0.00 O ATOM 1398 CB ARG A 627 6.381 -5.275 -9.927 1.00 0.00 C ATOM 1399 CG ARG A 627 7.184 -5.384 -11.225 1.00 0.00 C ATOM 1400 CD ARG A 627 6.265 -5.305 -12.446 1.00 0.00 C ATOM 1401 NE ARG A 627 6.874 -6.028 -13.585 1.00 0.00 N ATOM 1402 CZ ARG A 627 7.741 -5.472 -14.458 1.00 0.00 C ATOM 1403 NH1 ARG A 627 8.108 -4.179 -14.329 1.00 0.00 N ATOM 1404 NH2 ARG A 627 8.223 -6.211 -15.439 1.00 0.00 N ATOM 0 H ARG A 627 5.510 -4.290 -7.509 1.00 0.00 H new ATOM 0 HA ARG A 627 7.627 -3.593 -9.452 1.00 0.00 H new ATOM 0 HB2 ARG A 627 6.673 -6.075 -9.246 1.00 0.00 H new ATOM 0 HB3 ARG A 627 5.320 -5.408 -10.139 1.00 0.00 H new ATOM 0 HG2 ARG A 627 7.922 -4.583 -11.269 1.00 0.00 H new ATOM 0 HG3 ARG A 627 7.733 -6.325 -11.239 1.00 0.00 H new ATOM 0 HD2 ARG A 627 5.293 -5.737 -12.208 1.00 0.00 H new ATOM 0 HD3 ARG A 627 6.094 -4.263 -12.716 1.00 0.00 H new ATOM 0 HE ARG A 627 6.623 -7.008 -13.719 1.00 0.00 H new ATOM 0 HH11 ARG A 627 7.730 -3.615 -13.568 1.00 0.00 H new ATOM 0 HH12 ARG A 627 8.764 -3.766 -14.993 1.00 0.00 H new ATOM 0 HH21 ARG A 627 7.940 -7.187 -15.529 1.00 0.00 H new ATOM 0 HH22 ARG A 627 8.879 -5.807 -16.107 1.00 0.00 H new ATOM 1417 N THR A 628 6.176 -1.910 -10.516 1.00 0.00 N ATOM 1418 CA THR A 628 5.362 -0.870 -11.122 1.00 0.00 C ATOM 1419 C THR A 628 4.686 -1.394 -12.391 1.00 0.00 C ATOM 1420 O THR A 628 5.248 -2.229 -13.098 1.00 0.00 O ATOM 1421 CB THR A 628 6.255 0.347 -11.367 1.00 0.00 C ATOM 1422 OG1 THR A 628 7.500 -0.010 -10.773 1.00 0.00 O ATOM 1423 CG2 THR A 628 5.803 1.575 -10.572 1.00 0.00 C ATOM 0 H THR A 628 7.180 -1.805 -10.663 1.00 0.00 H new ATOM 0 HA THR A 628 4.550 -0.567 -10.461 1.00 0.00 H new ATOM 0 HB THR A 628 6.260 0.584 -12.431 1.00 0.00 H new ATOM 0 HG1 THR A 628 8.139 0.724 -10.888 1.00 0.00 H new ATOM 0 HG21 THR A 628 6.471 2.411 -10.782 1.00 0.00 H new ATOM 0 HG22 THR A 628 4.786 1.841 -10.861 1.00 0.00 H new ATOM 0 HG23 THR A 628 5.830 1.348 -9.506 1.00 0.00 H new ATOM 1431 N GLY A 629 3.491 -0.881 -12.641 1.00 0.00 N ATOM 1432 CA GLY A 629 2.733 -1.286 -13.813 1.00 0.00 C ATOM 1433 C GLY A 629 1.524 -2.136 -13.417 1.00 0.00 C ATOM 1434 O GLY A 629 1.614 -2.967 -12.514 1.00 0.00 O ATOM 0 H GLY A 629 3.028 -0.188 -12.052 1.00 0.00 H new ATOM 0 HA2 GLY A 629 2.399 -0.403 -14.357 1.00 0.00 H new ATOM 0 HA3 GLY A 629 3.375 -1.852 -14.488 1.00 0.00 H new ATOM 1438 N ALA A 630 0.421 -1.900 -14.111 1.00 0.00 N ATOM 1439 CA ALA A 630 -0.804 -2.634 -13.844 1.00 0.00 C ATOM 1440 C ALA A 630 -0.555 -4.128 -14.056 1.00 0.00 C ATOM 1441 O ALA A 630 -0.215 -4.554 -15.159 1.00 0.00 O ATOM 1442 CB ALA A 630 -1.926 -2.097 -14.735 1.00 0.00 C ATOM 0 H ALA A 630 0.350 -1.210 -14.859 1.00 0.00 H new ATOM 0 HA ALA A 630 -1.116 -2.496 -12.809 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -2.845 -2.648 -14.535 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -2.084 -1.039 -14.524 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -1.650 -2.221 -15.782 1.00 0.00 H new ATOM 1448 N PRO A 631 -0.738 -4.903 -12.954 1.00 0.00 N ATOM 1449 CA PRO A 631 -0.537 -6.341 -13.008 1.00 0.00 C ATOM 1450 C PRO A 631 -1.698 -7.030 -13.728 1.00 0.00 C ATOM 1451 O PRO A 631 -2.697 -6.391 -14.057 1.00 0.00 O ATOM 1452 CB PRO A 631 -0.397 -6.775 -11.558 1.00 0.00 C ATOM 1453 CG PRO A 631 -0.985 -5.646 -10.727 1.00 0.00 C ATOM 1454 CD PRO A 631 -1.140 -4.433 -11.631 1.00 0.00 C ATOM 0 HA PRO A 631 0.348 -6.620 -13.580 1.00 0.00 H new ATOM 0 HB2 PRO A 631 -0.927 -7.710 -11.377 1.00 0.00 H new ATOM 0 HB3 PRO A 631 0.648 -6.946 -11.301 1.00 0.00 H new ATOM 0 HG2 PRO A 631 -1.950 -5.939 -10.313 1.00 0.00 H new ATOM 0 HG3 PRO A 631 -0.334 -5.413 -9.884 1.00 0.00 H new ATOM 0 HD2 PRO A 631 -2.168 -4.071 -11.635 1.00 0.00 H new ATOM 0 HD3 PRO A 631 -0.512 -3.607 -11.297 1.00 0.00 H new ATOM 1462 N SER A 632 -1.528 -8.325 -13.953 1.00 0.00 N ATOM 1463 CA SER A 632 -2.550 -9.107 -14.629 1.00 0.00 C ATOM 1464 C SER A 632 -2.215 -10.597 -14.533 1.00 0.00 C ATOM 1465 O SER A 632 -1.710 -11.186 -15.488 1.00 0.00 O ATOM 1466 CB SER A 632 -2.687 -8.687 -16.093 1.00 0.00 C ATOM 1467 OG SER A 632 -3.937 -8.055 -16.352 1.00 0.00 O ATOM 0 H SER A 632 -0.699 -8.852 -13.679 1.00 0.00 H new ATOM 0 HA SER A 632 -3.505 -8.922 -14.136 1.00 0.00 H new ATOM 0 HB2 SER A 632 -1.876 -8.006 -16.352 1.00 0.00 H new ATOM 0 HB3 SER A 632 -2.584 -9.564 -16.733 1.00 0.00 H new ATOM 0 HG SER A 632 -4.064 -7.313 -15.725 1.00 0.00 H new ATOM 1473 N GLY A 633 -2.511 -11.164 -13.373 1.00 0.00 N ATOM 1474 CA GLY A 633 -2.249 -12.575 -13.140 1.00 0.00 C ATOM 1475 C GLY A 633 -0.745 -12.859 -13.135 1.00 0.00 C ATOM 1476 O GLY A 633 -0.315 -13.932 -12.716 1.00 0.00 O ATOM 0 H GLY A 633 -2.930 -10.672 -12.584 1.00 0.00 H new ATOM 0 HA2 GLY A 633 -2.683 -12.877 -12.187 1.00 0.00 H new ATOM 0 HA3 GLY A 633 -2.733 -13.171 -13.914 1.00 0.00 H new TER 1480 GLY A 633