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 180:sc= -0.39 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 576 LYS NZ :NH3+ 174:sc= -0.496 (180deg=-0.564) USER MOD Set 3.1: A 542 LYS NZ :NH3+ 175:sc= 0 (180deg=0) USER MOD Set 3.2: A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 532 THR OG1 : rot 180:sc= 0.0116 USER MOD Single : A 533 THR OG1 : rot -27:sc= 0.142 USER MOD Single : A 534 ASN : amide:sc= -2.37! C(o=-2.4!,f=-3.9!) USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 539 TYR OH : rot 180:sc= -0.719 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 545 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 546 SER OG : rot -56:sc= 0.895 USER MOD Single : A 548 TYR OH : rot 180:sc= 0 USER MOD Single : A 550 HIS : no HE2:sc= -6.64! C(o=-6.6!,f=-4.7!) USER MOD Single : A 551 TYR OH : rot 168:sc= -4.46! USER MOD Single : A 557 SER OG : rot 180:sc= -0.26 USER MOD Single : A 559 THR OG1 : rot 180:sc= 0.0709 USER MOD Single : A 566 MET CE :methyl -175:sc= -9.77! (180deg=-10.2!) USER MOD Single : A 567 GLN : amide:sc= -0.0161 X(o=-0.016,f=-0.46) USER MOD Single : A 572 SER OG : rot 180:sc= 0 USER MOD Single : A 574 TYR OH : rot 180:sc= -2.31! USER MOD Single : A 578 THR OG1 : rot 180:sc= -0.0325 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= -0.451 K(o=-0.45,f=-1.8!) USER MOD Single : A 592 ASN : amide:sc= -0.26 K(o=-0.26,f=-3.1) USER MOD Single : A 595 ASN : amide:sc= -0.727 X(o=-0.73,f=-0.7) USER MOD Single : A 596 ASN : amide:sc= -1.85 K(o=-1.8,f=-12!) USER MOD Single : A 597 ASN : amide:sc= -0.203 K(o=-0.2,f=-2.6!) USER MOD Single : A 600 SER OG : rot 180:sc= -0.935 USER MOD Single : A 601 ASN : amide:sc=-0.00949 X(o=-0.0095,f=0) USER MOD Single : A 602 ASN : amide:sc= -0.115 K(o=-0.11,f=-0.75) USER MOD Single : A 603 THR OG1 : rot 180:sc= 0 USER MOD Single : A 604 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 605 ASN : amide:sc= -8.12! C(o=-8.1!,f=-5.4!) USER MOD Single : A 606 TYR OH : rot 180: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 160:sc= -1.32 USER MOD Single : A 615 TYR OH : rot -55:sc= 0.303 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=-0.00306 X(o=-0.0031,f=-0.33) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 628 THR OG1 : rot 180:sc= 0.188 USER MOD Single : A 632 SER OG : rot 42:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 530 -5.387 23.225 -3.561 1.00 0.00 N ATOM 2 CA GLY A 530 -6.420 22.481 -4.262 1.00 0.00 C ATOM 3 C GLY A 530 -6.789 21.206 -3.501 1.00 0.00 C ATOM 4 O GLY A 530 -7.966 20.869 -3.381 1.00 0.00 O ATOM 0 HA2 GLY A 530 -7.305 23.106 -4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 530 -6.073 22.224 -5.263 1.00 0.00 H new ATOM 8 N GLY A 531 -5.761 20.532 -3.007 1.00 0.00 N ATOM 9 CA GLY A 531 -5.963 19.302 -2.261 1.00 0.00 C ATOM 10 C GLY A 531 -5.859 18.081 -3.178 1.00 0.00 C ATOM 11 O GLY A 531 -4.964 18.006 -4.018 1.00 0.00 O ATOM 0 H GLY A 531 -4.786 20.814 -3.109 1.00 0.00 H new ATOM 0 HA2 GLY A 531 -5.221 19.229 -1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 531 -6.942 19.319 -1.782 1.00 0.00 H new ATOM 15 N THR A 532 -6.789 17.156 -2.986 1.00 0.00 N ATOM 16 CA THR A 532 -6.813 15.943 -3.785 1.00 0.00 C ATOM 17 C THR A 532 -6.573 16.272 -5.260 1.00 0.00 C ATOM 18 O THR A 532 -7.178 17.196 -5.801 1.00 0.00 O ATOM 19 CB THR A 532 -8.145 15.236 -3.530 1.00 0.00 C ATOM 20 OG1 THR A 532 -9.105 16.289 -3.536 1.00 0.00 O ATOM 21 CG2 THR A 532 -8.238 14.655 -2.117 1.00 0.00 C ATOM 0 H THR A 532 -7.531 17.223 -2.289 1.00 0.00 H new ATOM 0 HA THR A 532 -6.008 15.265 -3.500 1.00 0.00 H new ATOM 0 HB THR A 532 -8.278 14.438 -4.261 1.00 0.00 H new ATOM 0 HG1 THR A 532 -9.998 15.918 -3.379 1.00 0.00 H new ATOM 0 HG21 THR A 532 -9.203 14.164 -1.988 1.00 0.00 H new ATOM 0 HG22 THR A 532 -7.439 13.929 -1.969 1.00 0.00 H new ATOM 0 HG23 THR A 532 -8.139 15.458 -1.386 1.00 0.00 H new ATOM 29 N THR A 533 -5.688 15.496 -5.870 1.00 0.00 N ATOM 30 CA THR A 533 -5.360 15.693 -7.271 1.00 0.00 C ATOM 31 C THR A 533 -4.794 14.405 -7.873 1.00 0.00 C ATOM 32 O THR A 533 -5.366 13.849 -8.809 1.00 0.00 O ATOM 33 CB THR A 533 -4.402 16.882 -7.370 1.00 0.00 C ATOM 34 OG1 THR A 533 -5.145 17.972 -6.833 1.00 0.00 O ATOM 35 CG2 THR A 533 -4.129 17.294 -8.818 1.00 0.00 C ATOM 0 H THR A 533 -5.188 14.730 -5.419 1.00 0.00 H new ATOM 0 HA THR A 533 -6.250 15.924 -7.856 1.00 0.00 H new ATOM 0 HB THR A 533 -3.461 16.632 -6.880 1.00 0.00 H new ATOM 0 HG1 THR A 533 -6.103 17.810 -6.963 1.00 0.00 H new ATOM 0 HG21 THR A 533 -3.444 18.142 -8.832 1.00 0.00 H new ATOM 0 HG22 THR A 533 -3.683 16.458 -9.356 1.00 0.00 H new ATOM 0 HG23 THR A 533 -5.066 17.577 -9.299 1.00 0.00 H new ATOM 43 N ASN A 534 -3.678 13.967 -7.309 1.00 0.00 N ATOM 44 CA ASN A 534 -3.028 12.755 -7.778 1.00 0.00 C ATOM 45 C ASN A 534 -3.512 11.567 -6.944 1.00 0.00 C ATOM 46 O ASN A 534 -4.153 11.750 -5.910 1.00 0.00 O ATOM 47 CB ASN A 534 -1.509 12.851 -7.628 1.00 0.00 C ATOM 48 CG ASN A 534 -0.828 12.954 -8.995 1.00 0.00 C ATOM 49 OD1 ASN A 534 -1.369 12.566 -10.017 1.00 0.00 O ATOM 50 ND2 ASN A 534 0.385 13.498 -8.956 1.00 0.00 N ATOM 0 H ASN A 534 -3.207 14.430 -6.531 1.00 0.00 H new ATOM 0 HA ASN A 534 -3.278 12.624 -8.831 1.00 0.00 H new ATOM 0 HB2 ASN A 534 -1.254 13.722 -7.024 1.00 0.00 H new ATOM 0 HB3 ASN A 534 -1.136 11.975 -7.097 1.00 0.00 H new ATOM 0 HD21 ASN A 534 0.921 13.611 -9.816 1.00 0.00 H new ATOM 0 HD22 ASN A 534 0.779 13.802 -8.066 1.00 0.00 H new ATOM 57 N LYS A 535 -3.185 10.376 -7.423 1.00 0.00 N ATOM 58 CA LYS A 535 -3.578 9.159 -6.734 1.00 0.00 C ATOM 59 C LYS A 535 -2.503 8.090 -6.943 1.00 0.00 C ATOM 60 O LYS A 535 -1.743 8.149 -7.908 1.00 0.00 O ATOM 61 CB LYS A 535 -4.975 8.719 -7.177 1.00 0.00 C ATOM 62 CG LYS A 535 -6.054 9.586 -6.526 1.00 0.00 C ATOM 63 CD LYS A 535 -7.238 8.733 -6.065 1.00 0.00 C ATOM 64 CE LYS A 535 -8.546 9.523 -6.144 1.00 0.00 C ATOM 65 NZ LYS A 535 -9.708 8.614 -6.022 1.00 0.00 N ATOM 0 H LYS A 535 -2.652 10.228 -8.280 1.00 0.00 H new ATOM 0 HA LYS A 535 -3.650 9.336 -5.661 1.00 0.00 H new ATOM 0 HB2 LYS A 535 -5.055 8.787 -8.262 1.00 0.00 H new ATOM 0 HB3 LYS A 535 -5.133 7.674 -6.910 1.00 0.00 H new ATOM 0 HG2 LYS A 535 -5.632 10.120 -5.674 1.00 0.00 H new ATOM 0 HG3 LYS A 535 -6.398 10.339 -7.235 1.00 0.00 H new ATOM 0 HD2 LYS A 535 -7.311 7.840 -6.685 1.00 0.00 H new ATOM 0 HD3 LYS A 535 -7.073 8.398 -5.041 1.00 0.00 H new ATOM 0 HE2 LYS A 535 -8.576 10.269 -5.350 1.00 0.00 H new ATOM 0 HE3 LYS A 535 -8.596 10.062 -7.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 -10.588 9.166 -6.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 -9.687 7.918 -6.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 -9.667 8.119 -5.108 1.00 0.00 H new ATOM 78 N VAL A 536 -2.473 7.139 -6.022 1.00 0.00 N ATOM 79 CA VAL A 536 -1.504 6.059 -6.092 1.00 0.00 C ATOM 80 C VAL A 536 -2.225 4.720 -5.928 1.00 0.00 C ATOM 81 O VAL A 536 -2.962 4.521 -4.963 1.00 0.00 O ATOM 82 CB VAL A 536 -0.402 6.275 -5.053 1.00 0.00 C ATOM 83 CG1 VAL A 536 0.900 5.597 -5.484 1.00 0.00 C ATOM 84 CG2 VAL A 536 -0.183 7.766 -4.789 1.00 0.00 C ATOM 0 H VAL A 536 -3.105 7.094 -5.222 1.00 0.00 H new ATOM 0 HA VAL A 536 -1.016 6.048 -7.066 1.00 0.00 H new ATOM 0 HB VAL A 536 -0.726 5.813 -4.120 1.00 0.00 H new ATOM 0 HG11 VAL A 536 1.666 5.766 -4.727 1.00 0.00 H new ATOM 0 HG12 VAL A 536 0.732 4.526 -5.597 1.00 0.00 H new ATOM 0 HG13 VAL A 536 1.230 6.015 -6.435 1.00 0.00 H new ATOM 0 HG21 VAL A 536 0.605 7.892 -4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 536 0.108 8.261 -5.716 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -1.107 8.209 -4.416 1.00 0.00 H new ATOM 94 N THR A 537 -1.989 3.835 -6.886 1.00 0.00 N ATOM 95 CA THR A 537 -2.607 2.520 -6.859 1.00 0.00 C ATOM 96 C THR A 537 -1.596 1.464 -6.408 1.00 0.00 C ATOM 97 O THR A 537 -0.545 1.302 -7.025 1.00 0.00 O ATOM 98 CB THR A 537 -3.194 2.246 -8.245 1.00 0.00 C ATOM 99 OG1 THR A 537 -4.445 2.928 -8.234 1.00 0.00 O ATOM 100 CG2 THR A 537 -3.572 0.776 -8.441 1.00 0.00 C ATOM 0 H THR A 537 -1.378 4.003 -7.686 1.00 0.00 H new ATOM 0 HA THR A 537 -3.418 2.479 -6.132 1.00 0.00 H new ATOM 0 HB THR A 537 -2.474 2.540 -9.008 1.00 0.00 H new ATOM 0 HG1 THR A 537 -4.893 2.804 -9.097 1.00 0.00 H new ATOM 0 HG21 THR A 537 -3.983 0.636 -9.441 1.00 0.00 H new ATOM 0 HG22 THR A 537 -2.685 0.153 -8.323 1.00 0.00 H new ATOM 0 HG23 THR A 537 -4.317 0.490 -7.699 1.00 0.00 H new ATOM 108 N VAL A 538 -1.950 0.774 -5.334 1.00 0.00 N ATOM 109 CA VAL A 538 -1.087 -0.262 -4.792 1.00 0.00 C ATOM 110 C VAL A 538 -1.858 -1.582 -4.730 1.00 0.00 C ATOM 111 O VAL A 538 -2.919 -1.657 -4.111 1.00 0.00 O ATOM 112 CB VAL A 538 -0.537 0.173 -3.433 1.00 0.00 C ATOM 113 CG1 VAL A 538 0.889 -0.344 -3.227 1.00 0.00 C ATOM 114 CG2 VAL A 538 -0.596 1.694 -3.279 1.00 0.00 C ATOM 0 H VAL A 538 -2.823 0.912 -4.824 1.00 0.00 H new ATOM 0 HA VAL A 538 -0.226 -0.419 -5.441 1.00 0.00 H new ATOM 0 HB VAL A 538 -1.168 -0.267 -2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 538 1.256 -0.020 -2.253 1.00 0.00 H new ATOM 0 HG12 VAL A 538 0.891 -1.433 -3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 538 1.536 0.053 -4.009 1.00 0.00 H new ATOM 0 HG21 VAL A 538 -0.199 1.977 -2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 538 -0.001 2.162 -4.063 1.00 0.00 H new ATOM 0 HG23 VAL A 538 -1.630 2.028 -3.360 1.00 0.00 H new ATOM 124 N TYR A 539 -1.296 -2.590 -5.380 1.00 0.00 N ATOM 125 CA TYR A 539 -1.918 -3.903 -5.406 1.00 0.00 C ATOM 126 C TYR A 539 -1.238 -4.852 -4.417 1.00 0.00 C ATOM 127 O TYR A 539 -0.014 -4.857 -4.298 1.00 0.00 O ATOM 128 CB TYR A 539 -1.718 -4.436 -6.826 1.00 0.00 C ATOM 129 CG TYR A 539 -2.989 -4.432 -7.678 1.00 0.00 C ATOM 130 CD1 TYR A 539 -3.785 -3.305 -7.723 1.00 0.00 C ATOM 131 CD2 TYR A 539 -3.340 -5.554 -8.400 1.00 0.00 C ATOM 132 CE1 TYR A 539 -4.981 -3.301 -8.525 1.00 0.00 C ATOM 133 CE2 TYR A 539 -4.536 -5.550 -9.201 1.00 0.00 C ATOM 134 CZ TYR A 539 -5.298 -4.423 -9.224 1.00 0.00 C ATOM 135 OH TYR A 539 -6.428 -4.419 -9.981 1.00 0.00 O ATOM 0 H TYR A 539 -0.417 -2.524 -5.893 1.00 0.00 H new ATOM 0 HA TYR A 539 -2.970 -3.835 -5.129 1.00 0.00 H new ATOM 0 HB2 TYR A 539 -0.957 -3.835 -7.324 1.00 0.00 H new ATOM 0 HB3 TYR A 539 -1.334 -5.455 -6.770 1.00 0.00 H new ATOM 0 HD1 TYR A 539 -3.511 -2.427 -7.157 1.00 0.00 H new ATOM 0 HD2 TYR A 539 -2.717 -6.436 -8.364 1.00 0.00 H new ATOM 0 HE1 TYR A 539 -5.612 -2.426 -8.570 1.00 0.00 H new ATOM 0 HE2 TYR A 539 -4.822 -6.422 -9.771 1.00 0.00 H new ATOM 0 HH TYR A 539 -6.527 -5.287 -10.425 1.00 0.00 H new ATOM 145 N TYR A 540 -2.061 -5.633 -3.734 1.00 0.00 N ATOM 146 CA TYR A 540 -1.554 -6.584 -2.759 1.00 0.00 C ATOM 147 C TYR A 540 -2.142 -7.977 -2.995 1.00 0.00 C ATOM 148 O TYR A 540 -3.332 -8.114 -3.275 1.00 0.00 O ATOM 149 CB TYR A 540 -2.016 -6.074 -1.393 1.00 0.00 C ATOM 150 CG TYR A 540 -2.098 -7.160 -0.318 1.00 0.00 C ATOM 151 CD1 TYR A 540 -1.046 -8.036 -0.140 1.00 0.00 C ATOM 152 CD2 TYR A 540 -3.224 -7.264 0.473 1.00 0.00 C ATOM 153 CE1 TYR A 540 -1.123 -9.058 0.871 1.00 0.00 C ATOM 154 CE2 TYR A 540 -3.301 -8.287 1.485 1.00 0.00 C ATOM 155 CZ TYR A 540 -2.247 -9.133 1.633 1.00 0.00 C ATOM 156 OH TYR A 540 -2.320 -10.099 2.588 1.00 0.00 O ATOM 0 H TYR A 540 -3.076 -5.627 -3.836 1.00 0.00 H new ATOM 0 HA TYR A 540 -0.469 -6.665 -2.830 1.00 0.00 H new ATOM 0 HB2 TYR A 540 -1.331 -5.295 -1.057 1.00 0.00 H new ATOM 0 HB3 TYR A 540 -2.997 -5.611 -1.502 1.00 0.00 H new ATOM 0 HD1 TYR A 540 -0.165 -7.955 -0.759 1.00 0.00 H new ATOM 0 HD2 TYR A 540 -4.047 -6.579 0.334 1.00 0.00 H new ATOM 0 HE1 TYR A 540 -0.307 -9.749 1.021 1.00 0.00 H new ATOM 0 HE2 TYR A 540 -4.176 -8.380 2.111 1.00 0.00 H new ATOM 0 HH TYR A 540 -3.179 -10.033 3.055 1.00 0.00 H new ATOM 166 N LYS A 541 -1.280 -8.976 -2.874 1.00 0.00 N ATOM 167 CA LYS A 541 -1.698 -10.353 -3.071 1.00 0.00 C ATOM 168 C LYS A 541 -2.163 -10.936 -1.735 1.00 0.00 C ATOM 169 O LYS A 541 -1.362 -11.116 -0.819 1.00 0.00 O ATOM 170 CB LYS A 541 -0.584 -11.161 -3.740 1.00 0.00 C ATOM 171 CG LYS A 541 -1.106 -12.514 -4.229 1.00 0.00 C ATOM 172 CD LYS A 541 0.049 -13.477 -4.511 1.00 0.00 C ATOM 173 CE LYS A 541 -0.444 -14.720 -5.254 1.00 0.00 C ATOM 174 NZ LYS A 541 0.701 -15.550 -5.693 1.00 0.00 N ATOM 0 H LYS A 541 -0.294 -8.859 -2.642 1.00 0.00 H new ATOM 0 HA LYS A 541 -2.547 -10.399 -3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -0.177 -10.599 -4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 541 0.232 -11.316 -3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -1.769 -12.945 -3.479 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -1.697 -12.374 -5.134 1.00 0.00 H new ATOM 0 HD2 LYS A 541 0.811 -12.972 -5.104 1.00 0.00 H new ATOM 0 HD3 LYS A 541 0.519 -13.772 -3.573 1.00 0.00 H new ATOM 0 HE2 LYS A 541 -1.096 -15.304 -4.605 1.00 0.00 H new ATOM 0 HE3 LYS A 541 -1.038 -14.423 -6.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 0.349 -16.390 -6.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 1.308 -14.995 -6.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 1.251 -15.849 -4.863 1.00 0.00 H new ATOM 187 N LYS A 542 -3.456 -11.217 -1.666 1.00 0.00 N ATOM 188 CA LYS A 542 -4.038 -11.776 -0.457 1.00 0.00 C ATOM 189 C LYS A 542 -3.900 -13.299 -0.488 1.00 0.00 C ATOM 190 O LYS A 542 -4.071 -13.920 -1.536 1.00 0.00 O ATOM 191 CB LYS A 542 -5.479 -11.292 -0.282 1.00 0.00 C ATOM 192 CG LYS A 542 -6.312 -12.319 0.486 1.00 0.00 C ATOM 193 CD LYS A 542 -7.314 -11.629 1.414 1.00 0.00 C ATOM 194 CE LYS A 542 -8.094 -10.543 0.669 1.00 0.00 C ATOM 195 NZ LYS A 542 -9.487 -10.474 1.163 1.00 0.00 N ATOM 0 H LYS A 542 -4.117 -11.068 -2.428 1.00 0.00 H new ATOM 0 HA LYS A 542 -3.500 -11.424 0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 542 -5.485 -10.341 0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 542 -5.927 -11.112 -1.259 1.00 0.00 H new ATOM 0 HG2 LYS A 542 -6.844 -12.960 -0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 542 -5.654 -12.963 1.070 1.00 0.00 H new ATOM 0 HD2 LYS A 542 -8.007 -12.366 1.819 1.00 0.00 H new ATOM 0 HD3 LYS A 542 -6.787 -11.188 2.260 1.00 0.00 H new ATOM 0 HE2 LYS A 542 -7.606 -9.578 0.805 1.00 0.00 H new ATOM 0 HE3 LYS A 542 -8.091 -10.754 -0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 542 -9.978 -9.678 0.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 542 -9.981 -11.361 0.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 542 -9.483 -10.335 2.194 1.00 0.00 H new ATOM 208 N GLY A 543 -3.592 -13.857 0.674 1.00 0.00 N ATOM 209 CA GLY A 543 -3.407 -13.048 1.866 1.00 0.00 C ATOM 210 C GLY A 543 -3.843 -13.811 3.119 1.00 0.00 C ATOM 211 O GLY A 543 -3.501 -14.980 3.289 1.00 0.00 O ATOM 0 H GLY A 543 -3.466 -14.859 0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 543 -2.359 -12.761 1.956 1.00 0.00 H new ATOM 0 HA3 GLY A 543 -3.983 -12.127 1.778 1.00 0.00 H new ATOM 215 N PHE A 544 -4.592 -13.118 3.964 1.00 0.00 N ATOM 216 CA PHE A 544 -5.078 -13.715 5.196 1.00 0.00 C ATOM 217 C PHE A 544 -6.607 -13.734 5.230 1.00 0.00 C ATOM 218 O PHE A 544 -7.245 -14.283 4.333 1.00 0.00 O ATOM 219 CB PHE A 544 -4.565 -12.848 6.347 1.00 0.00 C ATOM 220 CG PHE A 544 -3.050 -12.636 6.339 1.00 0.00 C ATOM 221 CD1 PHE A 544 -2.483 -11.812 5.418 1.00 0.00 C ATOM 222 CD2 PHE A 544 -2.269 -13.271 7.254 1.00 0.00 C ATOM 223 CE1 PHE A 544 -1.077 -11.615 5.410 1.00 0.00 C ATOM 224 CE2 PHE A 544 -0.863 -13.075 7.247 1.00 0.00 C ATOM 225 CZ PHE A 544 -0.296 -12.251 6.325 1.00 0.00 C ATOM 0 H PHE A 544 -4.874 -12.149 3.820 1.00 0.00 H new ATOM 0 HA PHE A 544 -4.727 -14.744 5.274 1.00 0.00 H new ATOM 0 HB2 PHE A 544 -5.058 -11.877 6.304 1.00 0.00 H new ATOM 0 HB3 PHE A 544 -4.852 -13.310 7.292 1.00 0.00 H new ATOM 0 HD1 PHE A 544 -3.103 -11.307 4.692 1.00 0.00 H new ATOM 0 HD2 PHE A 544 -2.719 -13.925 7.986 1.00 0.00 H new ATOM 0 HE1 PHE A 544 -0.627 -10.961 4.678 1.00 0.00 H new ATOM 0 HE2 PHE A 544 -0.244 -13.580 7.974 1.00 0.00 H new ATOM 0 HZ PHE A 544 0.774 -12.102 6.319 1.00 0.00 H new ATOM 235 N ASN A 545 -7.152 -13.129 6.275 1.00 0.00 N ATOM 236 CA ASN A 545 -8.595 -13.069 6.438 1.00 0.00 C ATOM 237 C ASN A 545 -9.038 -11.606 6.490 1.00 0.00 C ATOM 238 O ASN A 545 -9.997 -11.220 5.824 1.00 0.00 O ATOM 239 CB ASN A 545 -9.030 -13.742 7.742 1.00 0.00 C ATOM 240 CG ASN A 545 -8.711 -15.238 7.720 1.00 0.00 C ATOM 241 OD1 ASN A 545 -9.479 -16.056 7.241 1.00 0.00 O ATOM 242 ND2 ASN A 545 -7.539 -15.549 8.266 1.00 0.00 N ATOM 0 H ASN A 545 -6.620 -12.676 7.018 1.00 0.00 H new ATOM 0 HA ASN A 545 -9.052 -13.587 5.595 1.00 0.00 H new ATOM 0 HB2 ASN A 545 -8.524 -13.271 8.585 1.00 0.00 H new ATOM 0 HB3 ASN A 545 -10.100 -13.597 7.891 1.00 0.00 H new ATOM 0 HD21 ASN A 545 -7.235 -16.522 8.302 1.00 0.00 H new ATOM 0 HD22 ASN A 545 -6.944 -14.814 8.649 1.00 0.00 H new ATOM 249 N SER A 546 -8.318 -10.831 7.287 1.00 0.00 N ATOM 250 CA SER A 546 -8.624 -9.418 7.435 1.00 0.00 C ATOM 251 C SER A 546 -7.333 -8.619 7.623 1.00 0.00 C ATOM 252 O SER A 546 -7.135 -7.989 8.660 1.00 0.00 O ATOM 253 CB SER A 546 -9.572 -9.180 8.612 1.00 0.00 C ATOM 254 OG SER A 546 -9.693 -7.796 8.929 1.00 0.00 O ATOM 0 H SER A 546 -7.523 -11.155 7.838 1.00 0.00 H new ATOM 0 HA SER A 546 -9.123 -9.080 6.527 1.00 0.00 H new ATOM 0 HB2 SER A 546 -10.556 -9.584 8.373 1.00 0.00 H new ATOM 0 HB3 SER A 546 -9.209 -9.721 9.485 1.00 0.00 H new ATOM 0 HG SER A 546 -8.804 -7.421 9.100 1.00 0.00 H new ATOM 260 N PRO A 547 -6.467 -8.672 6.576 1.00 0.00 N ATOM 261 CA PRO A 547 -5.201 -7.961 6.616 1.00 0.00 C ATOM 262 C PRO A 547 -5.409 -6.459 6.411 1.00 0.00 C ATOM 263 O PRO A 547 -6.303 -6.047 5.674 1.00 0.00 O ATOM 264 CB PRO A 547 -4.357 -8.597 5.523 1.00 0.00 C ATOM 265 CG PRO A 547 -5.334 -9.319 4.609 1.00 0.00 C ATOM 266 CD PRO A 547 -6.669 -9.409 5.331 1.00 0.00 C ATOM 0 HA PRO A 547 -4.704 -8.042 7.583 1.00 0.00 H new ATOM 0 HB2 PRO A 547 -3.794 -7.841 4.975 1.00 0.00 H new ATOM 0 HB3 PRO A 547 -3.631 -9.292 5.945 1.00 0.00 H new ATOM 0 HG2 PRO A 547 -5.445 -8.781 3.668 1.00 0.00 H new ATOM 0 HG3 PRO A 547 -4.964 -10.315 4.365 1.00 0.00 H new ATOM 0 HD2 PRO A 547 -7.471 -8.971 4.737 1.00 0.00 H new ATOM 0 HD3 PRO A 547 -6.946 -10.445 5.525 1.00 0.00 H new ATOM 274 N TYR A 548 -4.568 -5.681 7.078 1.00 0.00 N ATOM 275 CA TYR A 548 -4.649 -4.234 6.978 1.00 0.00 C ATOM 276 C TYR A 548 -3.317 -3.641 6.515 1.00 0.00 C ATOM 277 O TYR A 548 -2.263 -4.241 6.716 1.00 0.00 O ATOM 278 CB TYR A 548 -4.954 -3.731 8.391 1.00 0.00 C ATOM 279 CG TYR A 548 -6.425 -3.380 8.623 1.00 0.00 C ATOM 280 CD1 TYR A 548 -6.904 -2.138 8.260 1.00 0.00 C ATOM 281 CD2 TYR A 548 -7.273 -4.307 9.195 1.00 0.00 C ATOM 282 CE1 TYR A 548 -8.288 -1.808 8.479 1.00 0.00 C ATOM 283 CE2 TYR A 548 -8.658 -3.977 9.413 1.00 0.00 C ATOM 284 CZ TYR A 548 -9.097 -2.744 9.045 1.00 0.00 C ATOM 285 OH TYR A 548 -10.405 -2.432 9.251 1.00 0.00 O ATOM 0 H TYR A 548 -3.828 -6.026 7.689 1.00 0.00 H new ATOM 0 HA TYR A 548 -5.411 -3.941 6.256 1.00 0.00 H new ATOM 0 HB2 TYR A 548 -4.656 -4.494 9.110 1.00 0.00 H new ATOM 0 HB3 TYR A 548 -4.345 -2.849 8.591 1.00 0.00 H new ATOM 0 HD1 TYR A 548 -6.241 -1.413 7.812 1.00 0.00 H new ATOM 0 HD2 TYR A 548 -6.898 -5.279 9.479 1.00 0.00 H new ATOM 0 HE1 TYR A 548 -8.675 -0.839 8.200 1.00 0.00 H new ATOM 0 HE2 TYR A 548 -9.333 -4.693 9.859 1.00 0.00 H new ATOM 0 HH TYR A 548 -10.863 -3.195 9.661 1.00 0.00 H new ATOM 295 N ILE A 549 -3.409 -2.469 5.902 1.00 0.00 N ATOM 296 CA ILE A 549 -2.224 -1.789 5.408 1.00 0.00 C ATOM 297 C ILE A 549 -2.197 -0.360 5.955 1.00 0.00 C ATOM 298 O ILE A 549 -3.239 0.282 6.076 1.00 0.00 O ATOM 299 CB ILE A 549 -2.160 -1.864 3.882 1.00 0.00 C ATOM 300 CG1 ILE A 549 -1.492 -0.617 3.299 1.00 0.00 C ATOM 301 CG2 ILE A 549 -3.549 -2.101 3.286 1.00 0.00 C ATOM 302 CD1 ILE A 549 -0.963 -0.887 1.889 1.00 0.00 C ATOM 0 H ILE A 549 -4.285 -1.974 5.737 1.00 0.00 H new ATOM 0 HA ILE A 549 -1.322 -2.286 5.766 1.00 0.00 H new ATOM 0 HB ILE A 549 -1.542 -2.719 3.608 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -2.208 0.204 3.272 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -0.672 -0.304 3.945 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -3.475 -2.150 2.200 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -3.952 -3.040 3.665 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -4.211 -1.282 3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -0.493 0.015 1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -0.229 -1.692 1.924 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -1.789 -1.177 1.240 1.00 0.00 H new ATOM 314 N HIS A 550 -0.994 0.096 6.272 1.00 0.00 N ATOM 315 CA HIS A 550 -0.817 1.437 6.803 1.00 0.00 C ATOM 316 C HIS A 550 0.198 2.198 5.949 1.00 0.00 C ATOM 317 O HIS A 550 1.362 1.809 5.868 1.00 0.00 O ATOM 318 CB HIS A 550 -0.429 1.388 8.282 1.00 0.00 C ATOM 319 CG HIS A 550 -0.686 2.676 9.027 1.00 0.00 C ATOM 320 ND1 HIS A 550 -1.243 3.792 8.426 1.00 0.00 N ATOM 321 CD2 HIS A 550 -0.457 3.014 10.329 1.00 0.00 C ATOM 322 CE1 HIS A 550 -1.339 4.752 9.334 1.00 0.00 C ATOM 323 NE2 HIS A 550 -0.851 4.268 10.512 1.00 0.00 N ATOM 0 H HIS A 550 -0.132 -0.440 6.171 1.00 0.00 H new ATOM 0 HA HIS A 550 -1.761 1.980 6.752 1.00 0.00 H new ATOM 0 HB2 HIS A 550 -0.983 0.584 8.766 1.00 0.00 H new ATOM 0 HB3 HIS A 550 0.629 1.139 8.361 1.00 0.00 H new ATOM 0 HD1 HIS A 550 -1.531 3.863 7.450 1.00 0.00 H new ATOM 0 HD2 HIS A 550 -0.028 2.370 11.083 1.00 0.00 H new ATOM 0 HE1 HIS A 550 -1.734 5.744 9.170 1.00 0.00 H new ATOM 331 N TYR A 551 -0.280 3.269 5.333 1.00 0.00 N ATOM 332 CA TYR A 551 0.572 4.088 4.487 1.00 0.00 C ATOM 333 C TYR A 551 0.499 5.560 4.898 1.00 0.00 C ATOM 334 O TYR A 551 -0.439 5.973 5.578 1.00 0.00 O ATOM 335 CB TYR A 551 0.023 3.940 3.066 1.00 0.00 C ATOM 336 CG TYR A 551 -1.473 3.626 3.007 1.00 0.00 C ATOM 337 CD1 TYR A 551 -2.390 4.545 3.474 1.00 0.00 C ATOM 338 CD2 TYR A 551 -1.906 2.424 2.485 1.00 0.00 C ATOM 339 CE1 TYR A 551 -3.798 4.250 3.418 1.00 0.00 C ATOM 340 CE2 TYR A 551 -3.314 2.129 2.429 1.00 0.00 C ATOM 341 CZ TYR A 551 -4.191 3.056 2.898 1.00 0.00 C ATOM 342 OH TYR A 551 -5.521 2.778 2.845 1.00 0.00 O ATOM 0 H TYR A 551 -1.246 3.589 5.403 1.00 0.00 H new ATOM 0 HA TYR A 551 1.612 3.772 4.568 1.00 0.00 H new ATOM 0 HB2 TYR A 551 0.212 4.862 2.516 1.00 0.00 H new ATOM 0 HB3 TYR A 551 0.571 3.147 2.557 1.00 0.00 H new ATOM 0 HD1 TYR A 551 -2.051 5.486 3.882 1.00 0.00 H new ATOM 0 HD2 TYR A 551 -1.189 1.705 2.119 1.00 0.00 H new ATOM 0 HE1 TYR A 551 -4.526 4.961 3.781 1.00 0.00 H new ATOM 0 HE2 TYR A 551 -3.666 1.192 2.023 1.00 0.00 H new ATOM 0 HH TYR A 551 -5.668 1.989 2.283 1.00 0.00 H new ATOM 352 N ARG A 552 1.502 6.311 4.467 1.00 0.00 N ATOM 353 CA ARG A 552 1.563 7.729 4.782 1.00 0.00 C ATOM 354 C ARG A 552 2.126 8.512 3.594 1.00 0.00 C ATOM 355 O ARG A 552 2.895 7.973 2.799 1.00 0.00 O ATOM 356 CB ARG A 552 2.438 7.983 6.012 1.00 0.00 C ATOM 357 CG ARG A 552 3.507 9.036 5.716 1.00 0.00 C ATOM 358 CD ARG A 552 4.238 9.449 6.995 1.00 0.00 C ATOM 359 NE ARG A 552 5.694 9.535 6.741 1.00 0.00 N ATOM 360 CZ ARG A 552 6.617 9.757 7.700 1.00 0.00 C ATOM 361 NH1 ARG A 552 6.243 9.918 8.988 1.00 0.00 N ATOM 362 NH2 ARG A 552 7.892 9.814 7.361 1.00 0.00 N ATOM 0 H ARG A 552 2.278 5.965 3.903 1.00 0.00 H new ATOM 0 HA ARG A 552 0.549 8.065 4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 552 1.816 8.315 6.843 1.00 0.00 H new ATOM 0 HB3 ARG A 552 2.914 7.053 6.322 1.00 0.00 H new ATOM 0 HG2 ARG A 552 4.223 8.640 4.995 1.00 0.00 H new ATOM 0 HG3 ARG A 552 3.044 9.911 5.259 1.00 0.00 H new ATOM 0 HD2 ARG A 552 3.864 10.412 7.343 1.00 0.00 H new ATOM 0 HD3 ARG A 552 4.041 8.726 7.786 1.00 0.00 H new ATOM 0 HE ARG A 552 6.020 9.419 5.781 1.00 0.00 H new ATOM 0 HH11 ARG A 552 5.256 9.872 9.242 1.00 0.00 H new ATOM 0 HH12 ARG A 552 6.947 10.085 9.706 1.00 0.00 H new ATOM 0 HH21 ARG A 552 8.167 9.691 6.386 1.00 0.00 H new ATOM 0 HH22 ARG A 552 8.602 9.981 8.074 1.00 0.00 H new ATOM 375 N PRO A 553 1.711 9.804 3.509 1.00 0.00 N ATOM 376 CA PRO A 553 2.166 10.667 2.432 1.00 0.00 C ATOM 377 C PRO A 553 3.613 11.111 2.658 1.00 0.00 C ATOM 378 O PRO A 553 4.074 11.178 3.797 1.00 0.00 O ATOM 379 CB PRO A 553 1.185 11.828 2.417 1.00 0.00 C ATOM 380 CG PRO A 553 0.499 11.811 3.773 1.00 0.00 C ATOM 381 CD PRO A 553 0.801 10.476 4.433 1.00 0.00 C ATOM 0 HA PRO A 553 2.180 10.162 1.466 1.00 0.00 H new ATOM 0 HB2 PRO A 553 1.701 12.774 2.252 1.00 0.00 H new ATOM 0 HB3 PRO A 553 0.460 11.716 1.611 1.00 0.00 H new ATOM 0 HG2 PRO A 553 0.858 12.633 4.393 1.00 0.00 H new ATOM 0 HG3 PRO A 553 -0.577 11.945 3.658 1.00 0.00 H new ATOM 0 HD2 PRO A 553 1.260 10.613 5.412 1.00 0.00 H new ATOM 0 HD3 PRO A 553 -0.108 9.895 4.586 1.00 0.00 H new ATOM 389 N ALA A 554 4.288 11.401 1.556 1.00 0.00 N ATOM 390 CA ALA A 554 5.673 11.836 1.620 1.00 0.00 C ATOM 391 C ALA A 554 5.909 12.581 2.936 1.00 0.00 C ATOM 392 O ALA A 554 6.539 12.050 3.849 1.00 0.00 O ATOM 393 CB ALA A 554 5.995 12.697 0.397 1.00 0.00 C ATOM 0 H ALA A 554 3.902 11.343 0.614 1.00 0.00 H new ATOM 0 HA ALA A 554 6.346 10.979 1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 554 7.034 13.023 0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 554 5.840 12.113 -0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 554 5.341 13.569 0.384 1.00 0.00 H new ATOM 399 N GLY A 555 5.392 13.799 2.990 1.00 0.00 N ATOM 400 CA GLY A 555 5.538 14.622 4.178 1.00 0.00 C ATOM 401 C GLY A 555 4.178 15.118 4.673 1.00 0.00 C ATOM 402 O GLY A 555 3.748 16.216 4.322 1.00 0.00 O ATOM 0 H GLY A 555 4.871 14.236 2.230 1.00 0.00 H new ATOM 0 HA2 GLY A 555 6.028 14.048 4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 555 6.181 15.474 3.958 1.00 0.00 H new ATOM 406 N GLY A 556 3.539 14.285 5.481 1.00 0.00 N ATOM 407 CA GLY A 556 2.236 14.625 6.028 1.00 0.00 C ATOM 408 C GLY A 556 2.072 14.066 7.442 1.00 0.00 C ATOM 409 O GLY A 556 2.431 14.722 8.419 1.00 0.00 O ATOM 0 H GLY A 556 3.899 13.376 5.770 1.00 0.00 H new ATOM 0 HA2 GLY A 556 2.116 15.708 6.045 1.00 0.00 H new ATOM 0 HA3 GLY A 556 1.452 14.228 5.383 1.00 0.00 H new ATOM 413 N SER A 557 1.530 12.859 7.508 1.00 0.00 N ATOM 414 CA SER A 557 1.314 12.203 8.787 1.00 0.00 C ATOM 415 C SER A 557 1.021 10.717 8.570 1.00 0.00 C ATOM 416 O SER A 557 1.002 10.243 7.435 1.00 0.00 O ATOM 417 CB SER A 557 0.169 12.863 9.557 1.00 0.00 C ATOM 418 OG SER A 557 -0.178 12.131 10.730 1.00 0.00 O ATOM 0 H SER A 557 1.234 12.318 6.696 1.00 0.00 H new ATOM 0 HA SER A 557 2.222 12.304 9.382 1.00 0.00 H new ATOM 0 HB2 SER A 557 0.456 13.877 9.834 1.00 0.00 H new ATOM 0 HB3 SER A 557 -0.704 12.945 8.909 1.00 0.00 H new ATOM 0 HG SER A 557 -0.911 12.586 11.194 1.00 0.00 H new ATOM 424 N TRP A 558 0.800 10.023 9.677 1.00 0.00 N ATOM 425 CA TRP A 558 0.509 8.601 9.623 1.00 0.00 C ATOM 426 C TRP A 558 -0.976 8.410 9.940 1.00 0.00 C ATOM 427 O TRP A 558 -1.410 8.651 11.065 1.00 0.00 O ATOM 428 CB TRP A 558 1.426 7.817 10.563 1.00 0.00 C ATOM 429 CG TRP A 558 2.791 7.477 9.961 1.00 0.00 C ATOM 430 CD1 TRP A 558 3.961 8.097 10.167 1.00 0.00 C ATOM 431 CD2 TRP A 558 3.081 6.404 9.040 1.00 0.00 C ATOM 432 NE1 TRP A 558 4.980 7.505 9.448 1.00 0.00 N ATOM 433 CE2 TRP A 558 4.428 6.443 8.742 1.00 0.00 C ATOM 434 CE3 TRP A 558 2.233 5.434 8.478 1.00 0.00 C ATOM 435 CZ2 TRP A 558 5.047 5.536 7.872 1.00 0.00 C ATOM 436 CZ3 TRP A 558 2.867 4.535 7.611 1.00 0.00 C ATOM 437 CH2 TRP A 558 4.222 4.560 7.300 1.00 0.00 C ATOM 0 H TRP A 558 0.817 10.420 10.617 1.00 0.00 H new ATOM 0 HA TRP A 558 0.707 8.205 8.627 1.00 0.00 H new ATOM 0 HB2 TRP A 558 1.576 8.396 11.474 1.00 0.00 H new ATOM 0 HB3 TRP A 558 0.927 6.892 10.852 1.00 0.00 H new ATOM 0 HD1 TRP A 558 4.090 8.952 10.814 1.00 0.00 H new ATOM 0 HE1 TRP A 558 5.958 7.794 9.437 1.00 0.00 H new ATOM 0 HE3 TRP A 558 1.177 5.386 8.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 558 6.104 5.587 7.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 558 2.261 3.768 7.152 1.00 0.00 H new ATOM 0 HH2 TRP A 558 4.636 3.830 6.620 1.00 0.00 H new ATOM 448 N THR A 559 -1.714 7.978 8.928 1.00 0.00 N ATOM 449 CA THR A 559 -3.140 7.751 9.084 1.00 0.00 C ATOM 450 C THR A 559 -3.420 6.993 10.383 1.00 0.00 C ATOM 451 O THR A 559 -2.495 6.532 11.049 1.00 0.00 O ATOM 452 CB THR A 559 -3.644 7.024 7.836 1.00 0.00 C ATOM 453 OG1 THR A 559 -3.060 7.747 6.755 1.00 0.00 O ATOM 454 CG2 THR A 559 -5.150 7.193 7.627 1.00 0.00 C ATOM 0 H THR A 559 -1.350 7.779 7.996 1.00 0.00 H new ATOM 0 HA THR A 559 -3.683 8.692 9.170 1.00 0.00 H new ATOM 0 HB THR A 559 -3.406 5.963 7.913 1.00 0.00 H new ATOM 0 HG1 THR A 559 -3.333 7.342 5.905 1.00 0.00 H new ATOM 0 HG21 THR A 559 -5.455 6.657 6.728 1.00 0.00 H new ATOM 0 HG22 THR A 559 -5.684 6.791 8.488 1.00 0.00 H new ATOM 0 HG23 THR A 559 -5.385 8.251 7.516 1.00 0.00 H new ATOM 462 N ALA A 560 -4.701 6.887 10.705 1.00 0.00 N ATOM 463 CA ALA A 560 -5.115 6.192 11.912 1.00 0.00 C ATOM 464 C ALA A 560 -4.821 4.699 11.762 1.00 0.00 C ATOM 465 O ALA A 560 -5.502 4.001 11.011 1.00 0.00 O ATOM 466 CB ALA A 560 -6.596 6.472 12.180 1.00 0.00 C ATOM 0 H ALA A 560 -5.466 7.271 10.151 1.00 0.00 H new ATOM 0 HA ALA A 560 -4.554 6.553 12.774 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -6.907 5.951 13.085 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -6.746 7.544 12.309 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -7.191 6.121 11.337 1.00 0.00 H new ATOM 472 N ALA A 561 -3.807 4.251 12.488 1.00 0.00 N ATOM 473 CA ALA A 561 -3.415 2.853 12.445 1.00 0.00 C ATOM 474 C ALA A 561 -4.476 2.008 13.154 1.00 0.00 C ATOM 475 O ALA A 561 -4.928 2.359 14.242 1.00 0.00 O ATOM 476 CB ALA A 561 -2.028 2.692 13.070 1.00 0.00 C ATOM 0 H ALA A 561 -3.245 4.832 13.110 1.00 0.00 H new ATOM 0 HA ALA A 561 -3.350 2.504 11.414 1.00 0.00 H new ATOM 0 HB1 ALA A 561 -1.734 1.643 13.038 1.00 0.00 H new ATOM 0 HB2 ALA A 561 -1.306 3.289 12.512 1.00 0.00 H new ATOM 0 HB3 ALA A 561 -2.054 3.030 14.106 1.00 0.00 H new ATOM 482 N PRO A 562 -4.852 0.882 12.490 1.00 0.00 N ATOM 483 CA PRO A 562 -4.267 0.541 11.204 1.00 0.00 C ATOM 484 C PRO A 562 -4.832 1.427 10.092 1.00 0.00 C ATOM 485 O PRO A 562 -5.988 1.843 10.152 1.00 0.00 O ATOM 486 CB PRO A 562 -4.582 -0.933 11.008 1.00 0.00 C ATOM 487 CG PRO A 562 -5.724 -1.246 11.962 1.00 0.00 C ATOM 488 CD PRO A 562 -5.840 -0.092 12.944 1.00 0.00 C ATOM 0 HA PRO A 562 -3.191 0.712 11.172 1.00 0.00 H new ATOM 0 HB2 PRO A 562 -4.868 -1.137 9.976 1.00 0.00 H new ATOM 0 HB3 PRO A 562 -3.711 -1.551 11.226 1.00 0.00 H new ATOM 0 HG2 PRO A 562 -6.656 -1.375 11.412 1.00 0.00 H new ATOM 0 HG3 PRO A 562 -5.534 -2.180 12.491 1.00 0.00 H new ATOM 0 HD2 PRO A 562 -6.844 0.332 12.940 1.00 0.00 H new ATOM 0 HD3 PRO A 562 -5.635 -0.418 13.964 1.00 0.00 H new ATOM 496 N GLY A 563 -3.991 1.688 9.103 1.00 0.00 N ATOM 497 CA GLY A 563 -4.392 2.516 7.978 1.00 0.00 C ATOM 498 C GLY A 563 -5.797 2.147 7.499 1.00 0.00 C ATOM 499 O GLY A 563 -6.787 2.504 8.136 1.00 0.00 O ATOM 0 H GLY A 563 -3.033 1.341 9.057 1.00 0.00 H new ATOM 0 HA2 GLY A 563 -4.367 3.566 8.268 1.00 0.00 H new ATOM 0 HA3 GLY A 563 -3.681 2.394 7.160 1.00 0.00 H new ATOM 503 N VAL A 564 -5.839 1.438 6.381 1.00 0.00 N ATOM 504 CA VAL A 564 -7.106 1.017 5.809 1.00 0.00 C ATOM 505 C VAL A 564 -6.993 -0.437 5.344 1.00 0.00 C ATOM 506 O VAL A 564 -5.892 -0.935 5.114 1.00 0.00 O ATOM 507 CB VAL A 564 -7.518 1.973 4.688 1.00 0.00 C ATOM 508 CG1 VAL A 564 -9.040 2.015 4.534 1.00 0.00 C ATOM 509 CG2 VAL A 564 -6.952 3.374 4.926 1.00 0.00 C ATOM 0 H VAL A 564 -5.015 1.144 5.856 1.00 0.00 H new ATOM 0 HA VAL A 564 -7.896 1.058 6.559 1.00 0.00 H new ATOM 0 HB VAL A 564 -7.098 1.596 3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 564 -9.306 2.702 3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 564 -9.409 1.018 4.295 1.00 0.00 H new ATOM 0 HG13 VAL A 564 -9.491 2.355 5.466 1.00 0.00 H new ATOM 0 HG21 VAL A 564 -7.260 4.033 4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 564 -7.329 3.763 5.872 1.00 0.00 H new ATOM 0 HG23 VAL A 564 -5.864 3.326 4.961 1.00 0.00 H new ATOM 519 N LYS A 565 -8.147 -1.076 5.220 1.00 0.00 N ATOM 520 CA LYS A 565 -8.191 -2.462 4.787 1.00 0.00 C ATOM 521 C LYS A 565 -8.110 -2.518 3.260 1.00 0.00 C ATOM 522 O LYS A 565 -8.959 -1.957 2.569 1.00 0.00 O ATOM 523 CB LYS A 565 -9.422 -3.165 5.363 1.00 0.00 C ATOM 524 CG LYS A 565 -9.218 -4.681 5.408 1.00 0.00 C ATOM 525 CD LYS A 565 -9.709 -5.338 4.117 1.00 0.00 C ATOM 526 CE LYS A 565 -9.439 -6.844 4.132 1.00 0.00 C ATOM 527 NZ LYS A 565 -9.880 -7.463 2.862 1.00 0.00 N ATOM 0 H LYS A 565 -9.058 -0.660 5.412 1.00 0.00 H new ATOM 0 HA LYS A 565 -7.330 -3.008 5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -9.622 -2.792 6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -10.296 -2.930 4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -8.162 -4.905 5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -9.755 -5.099 6.260 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -10.777 -5.157 3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -9.210 -4.884 3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -8.375 -7.027 4.282 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -9.963 -7.305 4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -9.689 -8.485 2.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -10.900 -7.304 2.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -9.361 -7.035 2.069 1.00 0.00 H new ATOM 540 N MET A 566 -7.081 -3.200 2.778 1.00 0.00 N ATOM 541 CA MET A 566 -6.878 -3.336 1.346 1.00 0.00 C ATOM 542 C MET A 566 -8.216 -3.453 0.611 1.00 0.00 C ATOM 543 O MET A 566 -9.074 -4.244 1.000 1.00 0.00 O ATOM 544 CB MET A 566 -6.031 -4.578 1.066 1.00 0.00 C ATOM 545 CG MET A 566 -4.842 -4.240 0.164 1.00 0.00 C ATOM 546 SD MET A 566 -3.338 -4.204 1.124 1.00 0.00 S ATOM 547 CE MET A 566 -2.266 -3.340 -0.012 1.00 0.00 C ATOM 0 H MET A 566 -6.379 -3.664 3.354 1.00 0.00 H new ATOM 0 HA MET A 566 -6.363 -2.446 0.985 1.00 0.00 H new ATOM 0 HB2 MET A 566 -5.671 -4.997 2.006 1.00 0.00 H new ATOM 0 HB3 MET A 566 -6.646 -5.342 0.591 1.00 0.00 H new ATOM 0 HG2 MET A 566 -4.757 -4.980 -0.632 1.00 0.00 H new ATOM 0 HG3 MET A 566 -5.001 -3.274 -0.314 1.00 0.00 H new ATOM 0 HE1 MET A 566 -1.255 -3.308 0.394 1.00 0.00 H new ATOM 0 HE2 MET A 566 -2.256 -3.860 -0.970 1.00 0.00 H new ATOM 0 HE3 MET A 566 -2.631 -2.323 -0.155 1.00 0.00 H new ATOM 557 N GLN A 567 -8.350 -2.654 -0.437 1.00 0.00 N ATOM 558 CA GLN A 567 -9.568 -2.659 -1.229 1.00 0.00 C ATOM 559 C GLN A 567 -9.445 -3.652 -2.386 1.00 0.00 C ATOM 560 O GLN A 567 -8.685 -3.425 -3.326 1.00 0.00 O ATOM 561 CB GLN A 567 -9.893 -1.255 -1.744 1.00 0.00 C ATOM 562 CG GLN A 567 -11.305 -0.833 -1.334 1.00 0.00 C ATOM 563 CD GLN A 567 -12.351 -1.426 -2.281 1.00 0.00 C ATOM 564 OE1 GLN A 567 -12.202 -1.424 -3.492 1.00 0.00 O ATOM 565 NE2 GLN A 567 -13.414 -1.933 -1.663 1.00 0.00 N ATOM 0 H GLN A 567 -7.636 -1.999 -0.756 1.00 0.00 H new ATOM 0 HA GLN A 567 -10.392 -2.976 -0.590 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -9.168 -0.543 -1.350 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -9.804 -1.233 -2.830 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -11.505 -1.161 -0.314 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -11.379 0.254 -1.339 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -13.475 -1.902 -0.645 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -14.168 -2.353 -2.207 1.00 0.00 H new ATOM 574 N ASP A 568 -10.206 -4.732 -2.280 1.00 0.00 N ATOM 575 CA ASP A 568 -10.191 -5.761 -3.306 1.00 0.00 C ATOM 576 C ASP A 568 -10.052 -5.103 -4.680 1.00 0.00 C ATOM 577 O ASP A 568 -10.563 -4.007 -4.902 1.00 0.00 O ATOM 578 CB ASP A 568 -11.492 -6.566 -3.297 1.00 0.00 C ATOM 579 CG ASP A 568 -12.518 -6.149 -4.352 1.00 0.00 C ATOM 580 OD1 ASP A 568 -12.639 -6.782 -5.412 1.00 0.00 O ATOM 581 OD2 ASP A 568 -13.222 -5.111 -4.048 1.00 0.00 O ATOM 0 H ASP A 568 -10.837 -4.917 -1.500 1.00 0.00 H new ATOM 0 HA ASP A 568 -9.353 -6.428 -3.103 1.00 0.00 H new ATOM 0 HB2 ASP A 568 -11.251 -7.619 -3.443 1.00 0.00 H new ATOM 0 HB3 ASP A 568 -11.950 -6.477 -2.312 1.00 0.00 H new ATOM 587 N ALA A 569 -9.357 -5.801 -5.567 1.00 0.00 N ATOM 588 CA ALA A 569 -9.144 -5.298 -6.913 1.00 0.00 C ATOM 589 C ALA A 569 -10.397 -5.555 -7.753 1.00 0.00 C ATOM 590 O ALA A 569 -11.516 -5.434 -7.257 1.00 0.00 O ATOM 591 CB ALA A 569 -7.897 -5.953 -7.512 1.00 0.00 C ATOM 0 H ALA A 569 -8.935 -6.710 -5.379 1.00 0.00 H new ATOM 0 HA ALA A 569 -8.972 -4.222 -6.897 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -7.737 -5.576 -8.522 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -7.030 -5.717 -6.895 1.00 0.00 H new ATOM 0 HB3 ALA A 569 -8.034 -7.034 -7.546 1.00 0.00 H new ATOM 597 N GLU A 570 -10.167 -5.903 -9.011 1.00 0.00 N ATOM 598 CA GLU A 570 -11.263 -6.177 -9.924 1.00 0.00 C ATOM 599 C GLU A 570 -11.027 -7.501 -10.654 1.00 0.00 C ATOM 600 O GLU A 570 -11.775 -7.853 -11.565 1.00 0.00 O ATOM 601 CB GLU A 570 -11.449 -5.029 -10.917 1.00 0.00 C ATOM 602 CG GLU A 570 -10.278 -4.957 -11.899 1.00 0.00 C ATOM 603 CD GLU A 570 -10.712 -5.384 -13.303 1.00 0.00 C ATOM 604 OE1 GLU A 570 -11.724 -4.886 -13.817 1.00 0.00 O ATOM 605 OE2 GLU A 570 -9.955 -6.267 -13.862 1.00 0.00 O ATOM 0 H GLU A 570 -9.237 -6.001 -9.419 1.00 0.00 H new ATOM 0 HA GLU A 570 -12.181 -6.263 -9.343 1.00 0.00 H new ATOM 0 HB2 GLU A 570 -12.381 -5.166 -11.466 1.00 0.00 H new ATOM 0 HB3 GLU A 570 -11.533 -4.086 -10.377 1.00 0.00 H new ATOM 0 HG2 GLU A 570 -9.886 -3.940 -11.929 1.00 0.00 H new ATOM 0 HG3 GLU A 570 -9.469 -5.600 -11.553 1.00 0.00 H new ATOM 613 N ILE A 571 -9.985 -8.198 -10.226 1.00 0.00 N ATOM 614 CA ILE A 571 -9.641 -9.475 -10.828 1.00 0.00 C ATOM 615 C ILE A 571 -10.385 -10.595 -10.097 1.00 0.00 C ATOM 616 O ILE A 571 -11.519 -10.922 -10.444 1.00 0.00 O ATOM 617 CB ILE A 571 -8.123 -9.662 -10.858 1.00 0.00 C ATOM 618 CG1 ILE A 571 -7.451 -8.565 -11.686 1.00 0.00 C ATOM 619 CG2 ILE A 571 -7.753 -11.062 -11.353 1.00 0.00 C ATOM 620 CD1 ILE A 571 -6.264 -7.960 -10.934 1.00 0.00 C ATOM 0 H ILE A 571 -9.368 -7.903 -9.470 1.00 0.00 H new ATOM 0 HA ILE A 571 -9.963 -9.505 -11.869 1.00 0.00 H new ATOM 0 HB ILE A 571 -7.748 -9.571 -9.839 1.00 0.00 H new ATOM 0 HG12 ILE A 571 -7.112 -8.978 -12.636 1.00 0.00 H new ATOM 0 HG13 ILE A 571 -8.175 -7.784 -11.918 1.00 0.00 H new ATOM 0 HG21 ILE A 571 -6.668 -11.169 -11.365 1.00 0.00 H new ATOM 0 HG22 ILE A 571 -8.184 -11.809 -10.687 1.00 0.00 H new ATOM 0 HG23 ILE A 571 -8.143 -11.206 -12.361 1.00 0.00 H new ATOM 0 HD11 ILE A 571 -5.804 -7.183 -11.545 1.00 0.00 H new ATOM 0 HD12 ILE A 571 -6.610 -7.527 -9.996 1.00 0.00 H new ATOM 0 HD13 ILE A 571 -5.530 -8.739 -10.725 1.00 0.00 H new ATOM 632 N SER A 572 -9.716 -11.153 -9.099 1.00 0.00 N ATOM 633 CA SER A 572 -10.299 -12.229 -8.316 1.00 0.00 C ATOM 634 C SER A 572 -9.268 -12.773 -7.325 1.00 0.00 C ATOM 635 O SER A 572 -8.404 -13.567 -7.696 1.00 0.00 O ATOM 636 CB SER A 572 -10.811 -13.352 -9.220 1.00 0.00 C ATOM 637 OG SER A 572 -12.200 -13.604 -9.022 1.00 0.00 O ATOM 0 H SER A 572 -8.775 -10.880 -8.815 1.00 0.00 H new ATOM 0 HA SER A 572 -11.149 -11.829 -7.763 1.00 0.00 H new ATOM 0 HB2 SER A 572 -10.635 -13.087 -10.263 1.00 0.00 H new ATOM 0 HB3 SER A 572 -10.245 -14.263 -9.023 1.00 0.00 H new ATOM 0 HG SER A 572 -12.490 -14.326 -9.618 1.00 0.00 H new ATOM 643 N GLY A 573 -9.392 -12.325 -6.085 1.00 0.00 N ATOM 644 CA GLY A 573 -8.481 -12.757 -5.038 1.00 0.00 C ATOM 645 C GLY A 573 -7.340 -11.755 -4.855 1.00 0.00 C ATOM 646 O GLY A 573 -6.415 -11.996 -4.081 1.00 0.00 O ATOM 0 H GLY A 573 -10.110 -11.667 -5.781 1.00 0.00 H new ATOM 0 HA2 GLY A 573 -9.026 -12.868 -4.100 1.00 0.00 H new ATOM 0 HA3 GLY A 573 -8.073 -13.736 -5.288 1.00 0.00 H new ATOM 650 N TYR A 574 -7.443 -10.651 -5.581 1.00 0.00 N ATOM 651 CA TYR A 574 -6.431 -9.611 -5.508 1.00 0.00 C ATOM 652 C TYR A 574 -6.932 -8.415 -4.696 1.00 0.00 C ATOM 653 O TYR A 574 -8.137 -8.234 -4.528 1.00 0.00 O ATOM 654 CB TYR A 574 -6.182 -9.164 -6.950 1.00 0.00 C ATOM 655 CG TYR A 574 -4.968 -9.826 -7.606 1.00 0.00 C ATOM 656 CD1 TYR A 574 -4.907 -11.200 -7.715 1.00 0.00 C ATOM 657 CD2 TYR A 574 -3.935 -9.048 -8.088 1.00 0.00 C ATOM 658 CE1 TYR A 574 -3.765 -11.823 -8.332 1.00 0.00 C ATOM 659 CE2 TYR A 574 -2.792 -9.672 -8.704 1.00 0.00 C ATOM 660 CZ TYR A 574 -2.764 -11.028 -8.796 1.00 0.00 C ATOM 661 OH TYR A 574 -1.685 -11.617 -9.379 1.00 0.00 O ATOM 0 H TYR A 574 -8.211 -10.454 -6.222 1.00 0.00 H new ATOM 0 HA TYR A 574 -5.529 -9.986 -5.024 1.00 0.00 H new ATOM 0 HB2 TYR A 574 -7.068 -9.383 -7.546 1.00 0.00 H new ATOM 0 HB3 TYR A 574 -6.046 -8.083 -6.966 1.00 0.00 H new ATOM 0 HD1 TYR A 574 -5.716 -11.808 -7.338 1.00 0.00 H new ATOM 0 HD2 TYR A 574 -3.983 -7.972 -8.003 1.00 0.00 H new ATOM 0 HE1 TYR A 574 -3.705 -12.897 -8.424 1.00 0.00 H new ATOM 0 HE2 TYR A 574 -1.976 -9.076 -9.084 1.00 0.00 H new ATOM 0 HH TYR A 574 -1.050 -10.927 -9.664 1.00 0.00 H new ATOM 671 N ALA A 575 -5.981 -7.629 -4.212 1.00 0.00 N ATOM 672 CA ALA A 575 -6.310 -6.455 -3.421 1.00 0.00 C ATOM 673 C ALA A 575 -5.687 -5.217 -4.069 1.00 0.00 C ATOM 674 O ALA A 575 -4.710 -5.325 -4.810 1.00 0.00 O ATOM 675 CB ALA A 575 -5.835 -6.661 -1.981 1.00 0.00 C ATOM 0 H ALA A 575 -4.982 -7.782 -4.352 1.00 0.00 H new ATOM 0 HA ALA A 575 -7.389 -6.303 -3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 575 -6.081 -5.781 -1.387 1.00 0.00 H new ATOM 0 HB2 ALA A 575 -6.329 -7.535 -1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 575 -4.756 -6.814 -1.972 1.00 0.00 H new ATOM 681 N LYS A 576 -6.277 -4.070 -3.768 1.00 0.00 N ATOM 682 CA LYS A 576 -5.792 -2.813 -4.312 1.00 0.00 C ATOM 683 C LYS A 576 -6.175 -1.672 -3.367 1.00 0.00 C ATOM 684 O LYS A 576 -7.128 -1.791 -2.599 1.00 0.00 O ATOM 685 CB LYS A 576 -6.294 -2.620 -5.744 1.00 0.00 C ATOM 686 CG LYS A 576 -7.745 -2.136 -5.756 1.00 0.00 C ATOM 687 CD LYS A 576 -8.154 -1.664 -7.153 1.00 0.00 C ATOM 688 CE LYS A 576 -8.154 -0.136 -7.237 1.00 0.00 C ATOM 689 NZ LYS A 576 -6.792 0.367 -7.521 1.00 0.00 N ATOM 0 H LYS A 576 -7.087 -3.985 -3.154 1.00 0.00 H new ATOM 0 HA LYS A 576 -4.704 -2.821 -4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 576 -5.662 -1.898 -6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 576 -6.216 -3.560 -6.290 1.00 0.00 H new ATOM 0 HG2 LYS A 576 -8.404 -2.942 -5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 576 -7.866 -1.321 -5.043 1.00 0.00 H new ATOM 0 HD2 LYS A 576 -7.467 -2.073 -7.894 1.00 0.00 H new ATOM 0 HD3 LYS A 576 -9.146 -2.045 -7.394 1.00 0.00 H new ATOM 0 HE2 LYS A 576 -8.839 0.191 -8.019 1.00 0.00 H new ATOM 0 HE3 LYS A 576 -8.516 0.286 -6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 576 -6.827 1.395 -7.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 576 -6.170 0.159 -6.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 576 -6.421 -0.099 -8.374 1.00 0.00 H new ATOM 702 N ILE A 577 -5.412 -0.593 -3.456 1.00 0.00 N ATOM 703 CA ILE A 577 -5.659 0.569 -2.618 1.00 0.00 C ATOM 704 C ILE A 577 -5.372 1.840 -3.420 1.00 0.00 C ATOM 705 O ILE A 577 -4.541 1.832 -4.327 1.00 0.00 O ATOM 706 CB ILE A 577 -4.863 0.470 -1.316 1.00 0.00 C ATOM 707 CG1 ILE A 577 -3.420 0.939 -1.518 1.00 0.00 C ATOM 708 CG2 ILE A 577 -4.930 -0.946 -0.738 1.00 0.00 C ATOM 709 CD1 ILE A 577 -3.011 1.936 -0.432 1.00 0.00 C ATOM 0 H ILE A 577 -4.623 -0.498 -4.095 1.00 0.00 H new ATOM 0 HA ILE A 577 -6.707 0.609 -2.321 1.00 0.00 H new ATOM 0 HB ILE A 577 -5.319 1.138 -0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 577 -2.749 0.080 -1.500 1.00 0.00 H new ATOM 0 HG13 ILE A 577 -3.318 1.403 -2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 577 -4.356 -0.989 0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 577 -5.968 -1.207 -0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 577 -4.514 -1.652 -1.456 1.00 0.00 H new ATOM 0 HD11 ILE A 577 -1.982 2.254 -0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 577 -3.669 2.804 -0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 577 -3.091 1.462 0.546 1.00 0.00 H new ATOM 721 N THR A 578 -6.074 2.903 -3.055 1.00 0.00 N ATOM 722 CA THR A 578 -5.905 4.179 -3.729 1.00 0.00 C ATOM 723 C THR A 578 -5.667 5.293 -2.708 1.00 0.00 C ATOM 724 O THR A 578 -6.460 5.475 -1.785 1.00 0.00 O ATOM 725 CB THR A 578 -7.133 4.415 -4.610 1.00 0.00 C ATOM 726 OG1 THR A 578 -7.387 3.143 -5.199 1.00 0.00 O ATOM 727 CG2 THR A 578 -6.832 5.324 -5.803 1.00 0.00 C ATOM 0 H THR A 578 -6.761 2.907 -2.301 1.00 0.00 H new ATOM 0 HA THR A 578 -5.024 4.174 -4.370 1.00 0.00 H new ATOM 0 HB THR A 578 -7.930 4.855 -4.011 1.00 0.00 H new ATOM 0 HG1 THR A 578 -8.170 3.205 -5.786 1.00 0.00 H new ATOM 0 HG21 THR A 578 -7.737 5.459 -6.395 1.00 0.00 H new ATOM 0 HG22 THR A 578 -6.486 6.293 -5.444 1.00 0.00 H new ATOM 0 HG23 THR A 578 -6.058 4.869 -6.421 1.00 0.00 H new ATOM 735 N VAL A 579 -4.571 6.011 -2.908 1.00 0.00 N ATOM 736 CA VAL A 579 -4.218 7.103 -2.016 1.00 0.00 C ATOM 737 C VAL A 579 -3.902 8.350 -2.844 1.00 0.00 C ATOM 738 O VAL A 579 -3.205 8.268 -3.854 1.00 0.00 O ATOM 739 CB VAL A 579 -3.063 6.682 -1.105 1.00 0.00 C ATOM 740 CG1 VAL A 579 -2.605 7.848 -0.227 1.00 0.00 C ATOM 741 CG2 VAL A 579 -3.451 5.472 -0.251 1.00 0.00 C ATOM 0 H VAL A 579 -3.916 5.858 -3.675 1.00 0.00 H new ATOM 0 HA VAL A 579 -5.056 7.349 -1.364 1.00 0.00 H new ATOM 0 HB VAL A 579 -2.226 6.390 -1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 579 -1.783 7.522 0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 579 -2.269 8.670 -0.860 1.00 0.00 H new ATOM 0 HG13 VAL A 579 -3.435 8.184 0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 579 -2.613 5.193 0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 579 -4.311 5.725 0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 579 -3.706 4.635 -0.901 1.00 0.00 H new ATOM 751 N ASP A 580 -4.430 9.475 -2.385 1.00 0.00 N ATOM 752 CA ASP A 580 -4.213 10.738 -3.070 1.00 0.00 C ATOM 753 C ASP A 580 -2.889 11.346 -2.602 1.00 0.00 C ATOM 754 O ASP A 580 -2.470 11.130 -1.466 1.00 0.00 O ATOM 755 CB ASP A 580 -5.329 11.735 -2.755 1.00 0.00 C ATOM 756 CG ASP A 580 -5.017 13.190 -3.110 1.00 0.00 C ATOM 757 OD1 ASP A 580 -4.886 13.545 -4.291 1.00 0.00 O ATOM 758 OD2 ASP A 580 -4.905 13.986 -2.101 1.00 0.00 O ATOM 0 H ASP A 580 -5.008 9.538 -1.547 1.00 0.00 H new ATOM 0 HA ASP A 580 -4.198 10.542 -4.142 1.00 0.00 H new ATOM 0 HB2 ASP A 580 -6.229 11.431 -3.290 1.00 0.00 H new ATOM 0 HB3 ASP A 580 -5.557 11.678 -1.691 1.00 0.00 H new ATOM 764 N ILE A 581 -2.269 12.095 -3.502 1.00 0.00 N ATOM 765 CA ILE A 581 -1.001 12.737 -3.195 1.00 0.00 C ATOM 766 C ILE A 581 -0.814 13.949 -4.109 1.00 0.00 C ATOM 767 O ILE A 581 0.263 14.147 -4.670 1.00 0.00 O ATOM 768 CB ILE A 581 0.144 11.725 -3.272 1.00 0.00 C ATOM 769 CG1 ILE A 581 0.350 11.239 -4.708 1.00 0.00 C ATOM 770 CG2 ILE A 581 -0.083 10.565 -2.301 1.00 0.00 C ATOM 771 CD1 ILE A 581 1.722 10.581 -4.872 1.00 0.00 C ATOM 0 H ILE A 581 -2.620 12.272 -4.443 1.00 0.00 H new ATOM 0 HA ILE A 581 -0.999 13.108 -2.170 1.00 0.00 H new ATOM 0 HB ILE A 581 1.063 12.225 -2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 581 -0.433 10.527 -4.971 1.00 0.00 H new ATOM 0 HG13 ILE A 581 0.261 12.079 -5.397 1.00 0.00 H new ATOM 0 HG21 ILE A 581 0.745 9.860 -2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 581 -0.142 10.949 -1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 581 -1.015 10.058 -2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 581 1.843 10.244 -5.902 1.00 0.00 H new ATOM 0 HD12 ILE A 581 2.503 11.303 -4.632 1.00 0.00 H new ATOM 0 HD13 ILE A 581 1.798 9.727 -4.199 1.00 0.00 H new ATOM 783 N GLY A 582 -1.878 14.728 -4.232 1.00 0.00 N ATOM 784 CA GLY A 582 -1.844 15.916 -5.069 1.00 0.00 C ATOM 785 C GLY A 582 -0.675 16.824 -4.684 1.00 0.00 C ATOM 786 O GLY A 582 -0.253 17.667 -5.475 1.00 0.00 O ATOM 0 H GLY A 582 -2.770 14.560 -3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 582 -1.754 15.625 -6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 582 -2.782 16.462 -4.969 1.00 0.00 H new ATOM 790 N SER A 583 -0.184 16.622 -3.470 1.00 0.00 N ATOM 791 CA SER A 583 0.928 17.413 -2.971 1.00 0.00 C ATOM 792 C SER A 583 2.028 16.491 -2.441 1.00 0.00 C ATOM 793 O SER A 583 2.689 16.812 -1.454 1.00 0.00 O ATOM 794 CB SER A 583 0.470 18.378 -1.876 1.00 0.00 C ATOM 795 OG SER A 583 0.276 19.698 -2.376 1.00 0.00 O ATOM 0 H SER A 583 -0.536 15.922 -2.817 1.00 0.00 H new ATOM 0 HA SER A 583 1.325 18.005 -3.796 1.00 0.00 H new ATOM 0 HB2 SER A 583 -0.460 18.015 -1.439 1.00 0.00 H new ATOM 0 HB3 SER A 583 1.211 18.398 -1.077 1.00 0.00 H new ATOM 0 HG SER A 583 -0.018 20.284 -1.647 1.00 0.00 H new ATOM 801 N ALA A 584 2.191 15.365 -3.118 1.00 0.00 N ATOM 802 CA ALA A 584 3.199 14.394 -2.727 1.00 0.00 C ATOM 803 C ALA A 584 3.652 13.611 -3.961 1.00 0.00 C ATOM 804 O ALA A 584 2.844 13.302 -4.835 1.00 0.00 O ATOM 805 CB ALA A 584 2.636 13.485 -1.633 1.00 0.00 C ATOM 0 H ALA A 584 1.641 15.102 -3.936 1.00 0.00 H new ATOM 0 HA ALA A 584 4.075 14.895 -2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 584 3.392 12.757 -1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 584 2.357 14.087 -0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 584 1.757 12.963 -2.010 1.00 0.00 H new ATOM 811 N SER A 585 4.942 13.311 -3.991 1.00 0.00 N ATOM 812 CA SER A 585 5.512 12.569 -5.103 1.00 0.00 C ATOM 813 C SER A 585 5.963 11.185 -4.632 1.00 0.00 C ATOM 814 O SER A 585 6.399 10.363 -5.437 1.00 0.00 O ATOM 815 CB SER A 585 6.687 13.326 -5.726 1.00 0.00 C ATOM 816 OG SER A 585 6.415 13.723 -7.067 1.00 0.00 O ATOM 0 H SER A 585 5.609 13.568 -3.263 1.00 0.00 H new ATOM 0 HA SER A 585 4.743 12.454 -5.867 1.00 0.00 H new ATOM 0 HB2 SER A 585 6.910 14.208 -5.125 1.00 0.00 H new ATOM 0 HB3 SER A 585 7.575 12.695 -5.708 1.00 0.00 H new ATOM 0 HG SER A 585 7.188 14.205 -7.429 1.00 0.00 H new ATOM 822 N GLN A 586 5.842 10.969 -3.330 1.00 0.00 N ATOM 823 CA GLN A 586 6.231 9.699 -2.743 1.00 0.00 C ATOM 824 C GLN A 586 5.401 9.417 -1.489 1.00 0.00 C ATOM 825 O GLN A 586 5.147 10.320 -0.692 1.00 0.00 O ATOM 826 CB GLN A 586 7.728 9.677 -2.426 1.00 0.00 C ATOM 827 CG GLN A 586 8.525 9.080 -3.587 1.00 0.00 C ATOM 828 CD GLN A 586 9.837 9.839 -3.799 1.00 0.00 C ATOM 829 OE1 GLN A 586 9.948 11.024 -3.532 1.00 0.00 O ATOM 830 NE2 GLN A 586 10.821 9.092 -4.292 1.00 0.00 N ATOM 0 H GLN A 586 5.480 11.653 -2.665 1.00 0.00 H new ATOM 0 HA GLN A 586 6.035 8.910 -3.469 1.00 0.00 H new ATOM 0 HB2 GLN A 586 8.076 10.690 -2.224 1.00 0.00 H new ATOM 0 HB3 GLN A 586 7.903 9.094 -1.522 1.00 0.00 H new ATOM 0 HG2 GLN A 586 8.737 8.030 -3.386 1.00 0.00 H new ATOM 0 HG3 GLN A 586 7.929 9.116 -4.499 1.00 0.00 H new ATOM 0 HE21 GLN A 586 10.660 8.105 -4.493 1.00 0.00 H new ATOM 0 HE22 GLN A 586 11.736 9.506 -4.469 1.00 0.00 H new ATOM 839 N LEU A 587 5.001 8.162 -1.352 1.00 0.00 N ATOM 840 CA LEU A 587 4.205 7.750 -0.208 1.00 0.00 C ATOM 841 C LEU A 587 4.683 6.378 0.273 1.00 0.00 C ATOM 842 O LEU A 587 5.020 5.516 -0.536 1.00 0.00 O ATOM 843 CB LEU A 587 2.714 7.798 -0.548 1.00 0.00 C ATOM 844 CG LEU A 587 1.810 6.876 0.272 1.00 0.00 C ATOM 845 CD1 LEU A 587 0.529 7.598 0.694 1.00 0.00 C ATOM 846 CD2 LEU A 587 1.514 5.581 -0.487 1.00 0.00 C ATOM 0 H LEU A 587 5.213 7.416 -2.015 1.00 0.00 H new ATOM 0 HA LEU A 587 4.342 8.444 0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 587 2.365 8.823 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 587 2.594 7.549 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 587 2.340 6.601 1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 587 -0.096 6.920 1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 587 0.784 8.467 1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 587 -0.015 7.922 -0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 587 0.869 4.944 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 587 1.013 5.816 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 587 2.448 5.059 -0.695 1.00 0.00 H new ATOM 858 N GLU A 588 4.696 6.220 1.589 1.00 0.00 N ATOM 859 CA GLU A 588 5.126 4.968 2.187 1.00 0.00 C ATOM 860 C GLU A 588 3.913 4.114 2.562 1.00 0.00 C ATOM 861 O GLU A 588 2.877 4.643 2.962 1.00 0.00 O ATOM 862 CB GLU A 588 6.017 5.220 3.405 1.00 0.00 C ATOM 863 CG GLU A 588 5.471 6.370 4.255 1.00 0.00 C ATOM 864 CD GLU A 588 6.117 7.699 3.858 1.00 0.00 C ATOM 865 OE1 GLU A 588 5.690 8.328 2.878 1.00 0.00 O ATOM 866 OE2 GLU A 588 7.096 8.075 4.609 1.00 0.00 O ATOM 0 H GLU A 588 4.416 6.938 2.257 1.00 0.00 H new ATOM 0 HA GLU A 588 5.717 4.421 1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 588 6.079 4.314 4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 588 7.030 5.454 3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 588 4.390 6.436 4.133 1.00 0.00 H new ATOM 0 HG3 GLU A 588 5.661 6.170 5.309 1.00 0.00 H new ATOM 874 N ALA A 589 4.083 2.808 2.421 1.00 0.00 N ATOM 875 CA ALA A 589 3.015 1.876 2.740 1.00 0.00 C ATOM 876 C ALA A 589 3.599 0.673 3.484 1.00 0.00 C ATOM 877 O ALA A 589 4.695 0.215 3.167 1.00 0.00 O ATOM 878 CB ALA A 589 2.290 1.470 1.455 1.00 0.00 C ATOM 0 H ALA A 589 4.944 2.373 2.090 1.00 0.00 H new ATOM 0 HA ALA A 589 2.280 2.344 3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 589 1.489 0.771 1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 589 1.869 2.356 0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 589 2.996 0.994 0.774 1.00 0.00 H new ATOM 884 N ALA A 590 2.840 0.196 4.459 1.00 0.00 N ATOM 885 CA ALA A 590 3.268 -0.945 5.251 1.00 0.00 C ATOM 886 C ALA A 590 2.160 -2.000 5.259 1.00 0.00 C ATOM 887 O ALA A 590 0.995 -1.683 5.026 1.00 0.00 O ATOM 888 CB ALA A 590 3.639 -0.478 6.660 1.00 0.00 C ATOM 0 H ALA A 590 1.931 0.579 4.719 1.00 0.00 H new ATOM 0 HA ALA A 590 4.156 -1.403 4.815 1.00 0.00 H new ATOM 0 HB1 ALA A 590 3.960 -1.334 7.254 1.00 0.00 H new ATOM 0 HB2 ALA A 590 4.450 0.248 6.601 1.00 0.00 H new ATOM 0 HB3 ALA A 590 2.771 -0.015 7.130 1.00 0.00 H new ATOM 894 N PHE A 591 2.563 -3.233 5.529 1.00 0.00 N ATOM 895 CA PHE A 591 1.618 -4.336 5.570 1.00 0.00 C ATOM 896 C PHE A 591 1.651 -5.036 6.931 1.00 0.00 C ATOM 897 O PHE A 591 2.715 -5.437 7.401 1.00 0.00 O ATOM 898 CB PHE A 591 2.045 -5.331 4.489 1.00 0.00 C ATOM 899 CG PHE A 591 1.686 -4.895 3.067 1.00 0.00 C ATOM 900 CD1 PHE A 591 2.150 -3.713 2.580 1.00 0.00 C ATOM 901 CD2 PHE A 591 0.904 -5.690 2.289 1.00 0.00 C ATOM 902 CE1 PHE A 591 1.817 -3.308 1.260 1.00 0.00 C ATOM 903 CE2 PHE A 591 0.571 -5.286 0.969 1.00 0.00 C ATOM 904 CZ PHE A 591 1.035 -4.104 0.483 1.00 0.00 C ATOM 0 H PHE A 591 3.531 -3.492 5.721 1.00 0.00 H new ATOM 0 HA PHE A 591 0.606 -3.965 5.406 1.00 0.00 H new ATOM 0 HB2 PHE A 591 3.123 -5.480 4.551 1.00 0.00 H new ATOM 0 HB3 PHE A 591 1.578 -6.295 4.692 1.00 0.00 H new ATOM 0 HD1 PHE A 591 2.772 -3.082 3.197 1.00 0.00 H new ATOM 0 HD2 PHE A 591 0.536 -6.629 2.675 1.00 0.00 H new ATOM 0 HE1 PHE A 591 2.185 -2.369 0.874 1.00 0.00 H new ATOM 0 HE2 PHE A 591 -0.051 -5.917 0.351 1.00 0.00 H new ATOM 0 HZ PHE A 591 0.782 -3.797 -0.521 1.00 0.00 H new ATOM 914 N ASN A 592 0.474 -5.160 7.525 1.00 0.00 N ATOM 915 CA ASN A 592 0.354 -5.804 8.822 1.00 0.00 C ATOM 916 C ASN A 592 -0.891 -6.693 8.833 1.00 0.00 C ATOM 917 O ASN A 592 -1.804 -6.498 8.031 1.00 0.00 O ATOM 918 CB ASN A 592 0.206 -4.769 9.939 1.00 0.00 C ATOM 919 CG ASN A 592 -0.996 -3.858 9.686 1.00 0.00 C ATOM 920 OD1 ASN A 592 -2.144 -4.263 9.768 1.00 0.00 O ATOM 921 ND2 ASN A 592 -0.670 -2.607 9.373 1.00 0.00 N ATOM 0 H ASN A 592 -0.406 -4.825 7.132 1.00 0.00 H new ATOM 0 HA ASN A 592 1.257 -6.391 8.991 1.00 0.00 H new ATOM 0 HB2 ASN A 592 0.087 -5.276 10.896 1.00 0.00 H new ATOM 0 HB3 ASN A 592 1.114 -4.169 10.007 1.00 0.00 H new ATOM 0 HD21 ASN A 592 -1.401 -1.921 9.185 1.00 0.00 H new ATOM 0 HD22 ASN A 592 0.311 -2.333 9.321 1.00 0.00 H new ATOM 928 N ASP A 593 -0.888 -7.650 9.749 1.00 0.00 N ATOM 929 CA ASP A 593 -2.006 -8.569 9.875 1.00 0.00 C ATOM 930 C ASP A 593 -3.107 -7.915 10.712 1.00 0.00 C ATOM 931 O ASP A 593 -4.290 -8.178 10.501 1.00 0.00 O ATOM 932 CB ASP A 593 -1.582 -9.860 10.577 1.00 0.00 C ATOM 933 CG ASP A 593 -1.096 -9.683 12.017 1.00 0.00 C ATOM 934 OD1 ASP A 593 -0.520 -8.645 12.374 1.00 0.00 O ATOM 935 OD2 ASP A 593 -1.334 -10.681 12.800 1.00 0.00 O ATOM 0 H ASP A 593 -0.129 -7.809 10.411 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.363 -8.805 8.872 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -2.426 -10.550 10.576 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -0.787 -10.328 9.996 1.00 0.00 H new ATOM 941 N GLY A 594 -2.678 -7.077 11.644 1.00 0.00 N ATOM 942 CA GLY A 594 -3.613 -6.384 12.514 1.00 0.00 C ATOM 943 C GLY A 594 -2.874 -5.497 13.517 1.00 0.00 C ATOM 944 O GLY A 594 -3.223 -4.331 13.697 1.00 0.00 O ATOM 0 H GLY A 594 -1.696 -6.862 11.816 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -4.290 -5.775 11.915 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -4.225 -7.111 13.048 1.00 0.00 H new ATOM 948 N ASN A 595 -1.865 -6.083 14.145 1.00 0.00 N ATOM 949 CA ASN A 595 -1.073 -5.360 15.126 1.00 0.00 C ATOM 950 C ASN A 595 -0.155 -6.342 15.857 1.00 0.00 C ATOM 951 O ASN A 595 -0.428 -6.723 16.994 1.00 0.00 O ATOM 952 CB ASN A 595 -1.967 -4.685 16.167 1.00 0.00 C ATOM 953 CG ASN A 595 -1.147 -4.201 17.365 1.00 0.00 C ATOM 954 OD1 ASN A 595 -0.170 -3.483 17.231 1.00 0.00 O ATOM 955 ND2 ASN A 595 -1.597 -4.634 18.539 1.00 0.00 N ATOM 0 H ASN A 595 -1.578 -7.050 13.994 1.00 0.00 H new ATOM 0 HA ASN A 595 -0.496 -4.600 14.599 1.00 0.00 H new ATOM 0 HB2 ASN A 595 -2.486 -3.841 15.713 1.00 0.00 H new ATOM 0 HB3 ASN A 595 -2.731 -5.386 16.504 1.00 0.00 H new ATOM 0 HD21 ASN A 595 -1.118 -4.367 19.399 1.00 0.00 H new ATOM 0 HD22 ASN A 595 -2.421 -5.233 18.580 1.00 0.00 H new ATOM 962 N ASN A 596 0.915 -6.723 15.174 1.00 0.00 N ATOM 963 CA ASN A 596 1.874 -7.653 15.745 1.00 0.00 C ATOM 964 C ASN A 596 2.937 -7.990 14.697 1.00 0.00 C ATOM 965 O ASN A 596 4.115 -8.128 15.024 1.00 0.00 O ATOM 966 CB ASN A 596 1.194 -8.958 16.165 1.00 0.00 C ATOM 967 CG ASN A 596 0.232 -9.448 15.080 1.00 0.00 C ATOM 968 OD1 ASN A 596 -0.796 -8.850 14.809 1.00 0.00 O ATOM 969 ND2 ASN A 596 0.623 -10.568 14.478 1.00 0.00 N ATOM 0 H ASN A 596 1.139 -6.405 14.231 1.00 0.00 H new ATOM 0 HA ASN A 596 2.321 -7.181 16.620 1.00 0.00 H new ATOM 0 HB2 ASN A 596 1.949 -9.720 16.358 1.00 0.00 H new ATOM 0 HB3 ASN A 596 0.650 -8.805 17.097 1.00 0.00 H new ATOM 0 HD21 ASN A 596 0.050 -10.977 13.740 1.00 0.00 H new ATOM 0 HD22 ASN A 596 1.496 -11.017 14.754 1.00 0.00 H new ATOM 976 N ASN A 597 2.483 -8.112 13.458 1.00 0.00 N ATOM 977 CA ASN A 597 3.380 -8.430 12.360 1.00 0.00 C ATOM 978 C ASN A 597 3.362 -7.285 11.345 1.00 0.00 C ATOM 979 O ASN A 597 2.319 -6.975 10.771 1.00 0.00 O ATOM 980 CB ASN A 597 2.939 -9.706 11.641 1.00 0.00 C ATOM 981 CG ASN A 597 3.641 -10.934 12.224 1.00 0.00 C ATOM 982 OD1 ASN A 597 4.543 -10.837 13.039 1.00 0.00 O ATOM 983 ND2 ASN A 597 3.177 -12.092 11.762 1.00 0.00 N ATOM 0 H ASN A 597 1.506 -7.996 13.190 1.00 0.00 H new ATOM 0 HA ASN A 597 4.379 -8.575 12.771 1.00 0.00 H new ATOM 0 HB2 ASN A 597 1.859 -9.823 11.730 1.00 0.00 H new ATOM 0 HB3 ASN A 597 3.164 -9.625 10.578 1.00 0.00 H new ATOM 0 HD21 ASN A 597 3.579 -12.970 12.090 1.00 0.00 H new ATOM 0 HD22 ASN A 597 2.419 -12.102 11.080 1.00 0.00 H new ATOM 990 N TRP A 598 4.530 -6.687 11.155 1.00 0.00 N ATOM 991 CA TRP A 598 4.661 -5.583 10.220 1.00 0.00 C ATOM 992 C TRP A 598 5.738 -5.955 9.198 1.00 0.00 C ATOM 993 O TRP A 598 6.753 -6.553 9.551 1.00 0.00 O ATOM 994 CB TRP A 598 4.961 -4.275 10.954 1.00 0.00 C ATOM 995 CG TRP A 598 3.829 -3.800 11.866 1.00 0.00 C ATOM 996 CD1 TRP A 598 3.429 -4.331 13.030 1.00 0.00 C ATOM 997 CD2 TRP A 598 2.961 -2.668 11.642 1.00 0.00 C ATOM 998 NE1 TRP A 598 2.371 -3.627 13.570 1.00 0.00 N ATOM 999 CE2 TRP A 598 2.078 -2.584 12.699 1.00 0.00 C ATOM 1000 CE3 TRP A 598 2.924 -1.746 10.581 1.00 0.00 C ATOM 1001 CZ2 TRP A 598 1.093 -1.594 12.798 1.00 0.00 C ATOM 1002 CZ3 TRP A 598 1.934 -0.763 10.695 1.00 0.00 C ATOM 1003 CH2 TRP A 598 1.037 -0.665 11.753 1.00 0.00 C ATOM 0 H TRP A 598 5.393 -6.947 11.633 1.00 0.00 H new ATOM 0 HA TRP A 598 3.723 -5.412 9.692 1.00 0.00 H new ATOM 0 HB2 TRP A 598 5.864 -4.404 11.550 1.00 0.00 H new ATOM 0 HB3 TRP A 598 5.172 -3.498 10.219 1.00 0.00 H new ATOM 0 HD1 TRP A 598 3.878 -5.200 13.488 1.00 0.00 H new ATOM 0 HE1 TRP A 598 1.893 -3.834 14.447 1.00 0.00 H new ATOM 0 HE3 TRP A 598 3.605 -1.793 9.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 598 0.413 -1.550 13.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 598 1.862 -0.029 9.906 1.00 0.00 H new ATOM 0 HH2 TRP A 598 0.300 0.125 11.768 1.00 0.00 H new ATOM 1014 N ASP A 599 5.479 -5.586 7.952 1.00 0.00 N ATOM 1015 CA ASP A 599 6.412 -5.874 6.877 1.00 0.00 C ATOM 1016 C ASP A 599 6.682 -4.593 6.085 1.00 0.00 C ATOM 1017 O ASP A 599 6.304 -4.488 4.920 1.00 0.00 O ATOM 1018 CB ASP A 599 5.839 -6.914 5.912 1.00 0.00 C ATOM 1019 CG ASP A 599 5.600 -8.297 6.520 1.00 0.00 C ATOM 1020 OD1 ASP A 599 4.760 -8.465 7.416 1.00 0.00 O ATOM 1021 OD2 ASP A 599 6.329 -9.242 6.029 1.00 0.00 O ATOM 0 H ASP A 599 4.636 -5.090 7.663 1.00 0.00 H new ATOM 0 HA ASP A 599 7.328 -6.262 7.322 1.00 0.00 H new ATOM 0 HB2 ASP A 599 4.895 -6.539 5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 599 6.520 -7.018 5.067 1.00 0.00 H new ATOM 1027 N SER A 600 7.335 -3.651 6.750 1.00 0.00 N ATOM 1028 CA SER A 600 7.660 -2.381 6.123 1.00 0.00 C ATOM 1029 C SER A 600 8.939 -2.518 5.295 1.00 0.00 C ATOM 1030 O SER A 600 8.886 -2.570 4.068 1.00 0.00 O ATOM 1031 CB SER A 600 7.821 -1.276 7.169 1.00 0.00 C ATOM 1032 OG SER A 600 8.996 -0.500 6.950 1.00 0.00 O ATOM 0 H SER A 600 7.648 -3.742 7.717 1.00 0.00 H new ATOM 0 HA SER A 600 6.837 -2.104 5.465 1.00 0.00 H new ATOM 0 HB2 SER A 600 6.947 -0.625 7.146 1.00 0.00 H new ATOM 0 HB3 SER A 600 7.861 -1.721 8.163 1.00 0.00 H new ATOM 0 HG SER A 600 9.062 0.195 7.637 1.00 0.00 H new ATOM 1038 N ASN A 601 10.060 -2.573 6.001 1.00 0.00 N ATOM 1039 CA ASN A 601 11.350 -2.703 5.346 1.00 0.00 C ATOM 1040 C ASN A 601 12.463 -2.509 6.378 1.00 0.00 C ATOM 1041 O ASN A 601 13.493 -3.179 6.319 1.00 0.00 O ATOM 1042 CB ASN A 601 11.525 -1.643 4.257 1.00 0.00 C ATOM 1043 CG ASN A 601 12.975 -1.591 3.770 1.00 0.00 C ATOM 1044 OD1 ASN A 601 13.531 -2.566 3.293 1.00 0.00 O ATOM 1045 ND2 ASN A 601 13.553 -0.402 3.918 1.00 0.00 N ATOM 0 H ASN A 601 10.101 -2.530 7.019 1.00 0.00 H new ATOM 0 HA ASN A 601 11.400 -3.694 4.895 1.00 0.00 H new ATOM 0 HB2 ASN A 601 10.864 -1.865 3.419 1.00 0.00 H new ATOM 0 HB3 ASN A 601 11.232 -0.667 4.644 1.00 0.00 H new ATOM 0 HD21 ASN A 601 14.520 -0.265 3.624 1.00 0.00 H new ATOM 0 HD22 ASN A 601 13.029 0.373 4.325 1.00 0.00 H new ATOM 1052 N ASN A 602 12.217 -1.590 7.300 1.00 0.00 N ATOM 1053 CA ASN A 602 13.185 -1.299 8.344 1.00 0.00 C ATOM 1054 C ASN A 602 12.632 -0.201 9.255 1.00 0.00 C ATOM 1055 O ASN A 602 12.638 -0.343 10.477 1.00 0.00 O ATOM 1056 CB ASN A 602 14.503 -0.801 7.749 1.00 0.00 C ATOM 1057 CG ASN A 602 15.692 -1.570 8.329 1.00 0.00 C ATOM 1058 OD1 ASN A 602 15.667 -2.049 9.451 1.00 0.00 O ATOM 1059 ND2 ASN A 602 16.732 -1.660 7.505 1.00 0.00 N ATOM 0 H ASN A 602 11.361 -1.037 7.346 1.00 0.00 H new ATOM 0 HA ASN A 602 13.366 -2.218 8.902 1.00 0.00 H new ATOM 0 HB2 ASN A 602 14.484 -0.917 6.665 1.00 0.00 H new ATOM 0 HB3 ASN A 602 14.619 0.263 7.953 1.00 0.00 H new ATOM 0 HD21 ASN A 602 17.575 -2.153 7.800 1.00 0.00 H new ATOM 0 HD22 ASN A 602 16.687 -1.236 6.578 1.00 0.00 H new ATOM 1066 N THR A 603 12.168 0.868 8.625 1.00 0.00 N ATOM 1067 CA THR A 603 11.613 1.989 9.364 1.00 0.00 C ATOM 1068 C THR A 603 11.106 3.064 8.400 1.00 0.00 C ATOM 1069 O THR A 603 10.059 3.667 8.632 1.00 0.00 O ATOM 1070 CB THR A 603 12.685 2.496 10.330 1.00 0.00 C ATOM 1071 OG1 THR A 603 11.946 2.956 11.459 1.00 0.00 O ATOM 1072 CG2 THR A 603 13.394 3.750 9.813 1.00 0.00 C ATOM 0 H THR A 603 12.165 0.982 7.611 1.00 0.00 H new ATOM 0 HA THR A 603 10.745 1.686 9.950 1.00 0.00 H new ATOM 0 HB THR A 603 13.419 1.709 10.502 1.00 0.00 H new ATOM 0 HG1 THR A 603 12.565 3.301 12.136 1.00 0.00 H new ATOM 0 HG21 THR A 603 14.145 4.068 10.536 1.00 0.00 H new ATOM 0 HG22 THR A 603 13.878 3.528 8.862 1.00 0.00 H new ATOM 0 HG23 THR A 603 12.665 4.548 9.672 1.00 0.00 H new ATOM 1080 N LYS A 604 11.871 3.271 7.339 1.00 0.00 N ATOM 1081 CA LYS A 604 11.513 4.262 6.339 1.00 0.00 C ATOM 1082 C LYS A 604 10.668 3.599 5.250 1.00 0.00 C ATOM 1083 O LYS A 604 10.398 4.205 4.214 1.00 0.00 O ATOM 1084 CB LYS A 604 12.765 4.962 5.806 1.00 0.00 C ATOM 1085 CG LYS A 604 13.672 3.975 5.068 1.00 0.00 C ATOM 1086 CD LYS A 604 13.876 4.400 3.612 1.00 0.00 C ATOM 1087 CE LYS A 604 14.969 3.564 2.944 1.00 0.00 C ATOM 1088 NZ LYS A 604 15.865 4.427 2.143 1.00 0.00 N ATOM 0 H LYS A 604 12.738 2.769 7.150 1.00 0.00 H new ATOM 0 HA LYS A 604 10.902 5.048 6.783 1.00 0.00 H new ATOM 0 HB2 LYS A 604 12.476 5.769 5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 604 13.312 5.416 6.632 1.00 0.00 H new ATOM 0 HG2 LYS A 604 14.637 3.916 5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 604 13.233 2.978 5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 604 12.941 4.288 3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 604 14.145 5.455 3.572 1.00 0.00 H new ATOM 0 HE2 LYS A 604 15.546 3.036 3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 604 14.516 2.807 2.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 16.601 3.844 1.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 15.313 4.912 1.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 16.311 5.133 2.762 1.00 0.00 H new ATOM 1101 N ASN A 605 10.273 2.364 5.521 1.00 0.00 N ATOM 1102 CA ASN A 605 9.464 1.612 4.577 1.00 0.00 C ATOM 1103 C ASN A 605 9.969 1.875 3.157 1.00 0.00 C ATOM 1104 O ASN A 605 11.154 2.136 2.954 1.00 0.00 O ATOM 1105 CB ASN A 605 7.997 2.041 4.645 1.00 0.00 C ATOM 1106 CG ASN A 605 7.066 0.842 4.457 1.00 0.00 C ATOM 1107 OD1 ASN A 605 7.321 -0.059 3.675 1.00 0.00 O ATOM 1108 ND2 ASN A 605 5.974 0.882 5.215 1.00 0.00 N ATOM 0 H ASN A 605 10.498 1.865 6.382 1.00 0.00 H new ATOM 0 HA ASN A 605 9.542 0.555 4.832 1.00 0.00 H new ATOM 0 HB2 ASN A 605 7.797 2.514 5.606 1.00 0.00 H new ATOM 0 HB3 ASN A 605 7.796 2.786 3.875 1.00 0.00 H new ATOM 0 HD21 ASN A 605 5.289 0.128 5.162 1.00 0.00 H new ATOM 0 HD22 ASN A 605 5.822 1.666 5.849 1.00 0.00 H new ATOM 1115 N TYR A 606 9.044 1.797 2.211 1.00 0.00 N ATOM 1116 CA TYR A 606 9.381 2.023 0.816 1.00 0.00 C ATOM 1117 C TYR A 606 8.752 3.320 0.303 1.00 0.00 C ATOM 1118 O TYR A 606 7.806 3.833 0.899 1.00 0.00 O ATOM 1119 CB TYR A 606 8.789 0.843 0.042 1.00 0.00 C ATOM 1120 CG TYR A 606 9.684 -0.397 0.018 1.00 0.00 C ATOM 1121 CD1 TYR A 606 10.982 -0.302 -0.440 1.00 0.00 C ATOM 1122 CD2 TYR A 606 9.193 -1.611 0.454 1.00 0.00 C ATOM 1123 CE1 TYR A 606 11.825 -1.469 -0.463 1.00 0.00 C ATOM 1124 CE2 TYR A 606 10.036 -2.778 0.430 1.00 0.00 C ATOM 1125 CZ TYR A 606 11.310 -2.650 -0.027 1.00 0.00 C ATOM 1126 OH TYR A 606 12.106 -3.753 -0.049 1.00 0.00 O ATOM 0 H TYR A 606 8.062 1.581 2.383 1.00 0.00 H new ATOM 0 HA TYR A 606 10.461 2.106 0.691 1.00 0.00 H new ATOM 0 HB2 TYR A 606 7.829 0.577 0.484 1.00 0.00 H new ATOM 0 HB3 TYR A 606 8.592 1.156 -0.983 1.00 0.00 H new ATOM 0 HD1 TYR A 606 11.366 0.648 -0.781 1.00 0.00 H new ATOM 0 HD2 TYR A 606 8.177 -1.686 0.813 1.00 0.00 H new ATOM 0 HE1 TYR A 606 12.843 -1.408 -0.818 1.00 0.00 H new ATOM 0 HE2 TYR A 606 9.664 -3.734 0.768 1.00 0.00 H new ATOM 0 HH TYR A 606 11.606 -4.524 0.292 1.00 0.00 H new ATOM 1136 N LEU A 607 9.303 3.814 -0.796 1.00 0.00 N ATOM 1137 CA LEU A 607 8.808 5.042 -1.395 1.00 0.00 C ATOM 1138 C LEU A 607 8.100 4.713 -2.710 1.00 0.00 C ATOM 1139 O LEU A 607 8.710 4.165 -3.628 1.00 0.00 O ATOM 1140 CB LEU A 607 9.941 6.060 -1.544 1.00 0.00 C ATOM 1141 CG LEU A 607 9.990 7.167 -0.489 1.00 0.00 C ATOM 1142 CD1 LEU A 607 10.014 6.579 0.923 1.00 0.00 C ATOM 1143 CD2 LEU A 607 11.170 8.109 -0.738 1.00 0.00 C ATOM 0 H LEU A 607 10.088 3.386 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 607 8.071 5.513 -0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 607 10.890 5.524 -1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 607 9.858 6.525 -2.526 1.00 0.00 H new ATOM 0 HG LEU A 607 9.080 7.761 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 607 10.049 7.387 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 607 9.116 5.983 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 607 10.895 5.947 1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 607 11.182 8.887 0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 607 12.101 7.544 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 607 11.068 8.568 -1.721 1.00 0.00 H new ATOM 1155 N PHE A 608 6.823 5.060 -2.761 1.00 0.00 N ATOM 1156 CA PHE A 608 6.025 4.809 -3.949 1.00 0.00 C ATOM 1157 C PHE A 608 5.373 6.097 -4.455 1.00 0.00 C ATOM 1158 O PHE A 608 4.929 6.926 -3.661 1.00 0.00 O ATOM 1159 CB PHE A 608 4.929 3.819 -3.551 1.00 0.00 C ATOM 1160 CG PHE A 608 5.440 2.605 -2.771 1.00 0.00 C ATOM 1161 CD1 PHE A 608 6.189 1.660 -3.399 1.00 0.00 C ATOM 1162 CD2 PHE A 608 5.145 2.473 -1.450 1.00 0.00 C ATOM 1163 CE1 PHE A 608 6.663 0.534 -2.675 1.00 0.00 C ATOM 1164 CE2 PHE A 608 5.620 1.347 -0.726 1.00 0.00 C ATOM 1165 CZ PHE A 608 6.369 0.401 -1.354 1.00 0.00 C ATOM 0 H PHE A 608 6.320 5.513 -1.998 1.00 0.00 H new ATOM 0 HA PHE A 608 6.658 4.417 -4.745 1.00 0.00 H new ATOM 0 HB2 PHE A 608 4.186 4.339 -2.947 1.00 0.00 H new ATOM 0 HB3 PHE A 608 4.422 3.472 -4.452 1.00 0.00 H new ATOM 0 HD1 PHE A 608 6.423 1.766 -4.448 1.00 0.00 H new ATOM 0 HD2 PHE A 608 4.550 3.224 -0.952 1.00 0.00 H new ATOM 0 HE1 PHE A 608 7.257 -0.217 -3.174 1.00 0.00 H new ATOM 0 HE2 PHE A 608 5.386 1.242 0.323 1.00 0.00 H new ATOM 0 HZ PHE A 608 6.730 -0.455 -0.804 1.00 0.00 H new ATOM 1175 N SER A 609 5.335 6.226 -5.773 1.00 0.00 N ATOM 1176 CA SER A 609 4.744 7.399 -6.394 1.00 0.00 C ATOM 1177 C SER A 609 3.457 7.013 -7.124 1.00 0.00 C ATOM 1178 O SER A 609 3.159 5.830 -7.281 1.00 0.00 O ATOM 1179 CB SER A 609 5.725 8.063 -7.362 1.00 0.00 C ATOM 1180 OG SER A 609 5.107 9.097 -8.123 1.00 0.00 O ATOM 0 H SER A 609 5.704 5.537 -6.428 1.00 0.00 H new ATOM 0 HA SER A 609 4.507 8.118 -5.610 1.00 0.00 H new ATOM 0 HB2 SER A 609 6.563 8.477 -6.801 1.00 0.00 H new ATOM 0 HB3 SER A 609 6.133 7.311 -8.037 1.00 0.00 H new ATOM 0 HG SER A 609 5.766 9.497 -8.728 1.00 0.00 H new ATOM 1186 N THR A 610 2.728 8.033 -7.552 1.00 0.00 N ATOM 1187 CA THR A 610 1.479 7.815 -8.263 1.00 0.00 C ATOM 1188 C THR A 610 1.659 6.743 -9.339 1.00 0.00 C ATOM 1189 O THR A 610 2.784 6.366 -9.663 1.00 0.00 O ATOM 1190 CB THR A 610 1.010 9.161 -8.818 1.00 0.00 C ATOM 1191 OG1 THR A 610 2.068 9.569 -9.679 1.00 0.00 O ATOM 1192 CG2 THR A 610 0.960 10.251 -7.745 1.00 0.00 C ATOM 0 H THR A 610 2.978 9.013 -7.420 1.00 0.00 H new ATOM 0 HA THR A 610 0.705 7.435 -7.596 1.00 0.00 H new ATOM 0 HB THR A 610 0.022 9.046 -9.264 1.00 0.00 H new ATOM 0 HG1 THR A 610 1.846 10.434 -10.083 1.00 0.00 H new ATOM 0 HG21 THR A 610 0.621 11.186 -8.191 1.00 0.00 H new ATOM 0 HG22 THR A 610 0.269 9.954 -6.956 1.00 0.00 H new ATOM 0 HG23 THR A 610 1.955 10.391 -7.322 1.00 0.00 H new ATOM 1200 N GLY A 611 0.533 6.282 -9.864 1.00 0.00 N ATOM 1201 CA GLY A 611 0.552 5.261 -10.898 1.00 0.00 C ATOM 1202 C GLY A 611 0.071 3.916 -10.349 1.00 0.00 C ATOM 1203 O GLY A 611 -0.736 3.873 -9.421 1.00 0.00 O ATOM 0 H GLY A 611 -0.398 6.597 -9.593 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -0.084 5.567 -11.728 1.00 0.00 H new ATOM 0 HA3 GLY A 611 1.563 5.156 -11.292 1.00 0.00 H new ATOM 1207 N THR A 612 0.587 2.851 -10.944 1.00 0.00 N ATOM 1208 CA THR A 612 0.221 1.509 -10.527 1.00 0.00 C ATOM 1209 C THR A 612 1.433 0.785 -9.936 1.00 0.00 C ATOM 1210 O THR A 612 2.528 0.845 -10.492 1.00 0.00 O ATOM 1211 CB THR A 612 -0.389 0.789 -11.731 1.00 0.00 C ATOM 1212 OG1 THR A 612 -1.347 1.713 -12.239 1.00 0.00 O ATOM 1213 CG2 THR A 612 -1.224 -0.427 -11.325 1.00 0.00 C ATOM 0 H THR A 612 1.256 2.891 -11.713 1.00 0.00 H new ATOM 0 HA THR A 612 -0.524 1.532 -9.732 1.00 0.00 H new ATOM 0 HB THR A 612 0.406 0.474 -12.406 1.00 0.00 H new ATOM 0 HG1 THR A 612 -1.790 1.327 -13.024 1.00 0.00 H new ATOM 0 HG21 THR A 612 -1.634 -0.901 -12.217 1.00 0.00 H new ATOM 0 HG22 THR A 612 -0.594 -1.139 -10.792 1.00 0.00 H new ATOM 0 HG23 THR A 612 -2.040 -0.108 -10.676 1.00 0.00 H new ATOM 1221 N SER A 613 1.195 0.117 -8.816 1.00 0.00 N ATOM 1222 CA SER A 613 2.253 -0.617 -8.144 1.00 0.00 C ATOM 1223 C SER A 613 1.715 -1.951 -7.623 1.00 0.00 C ATOM 1224 O SER A 613 0.510 -2.103 -7.425 1.00 0.00 O ATOM 1225 CB SER A 613 2.847 0.200 -6.995 1.00 0.00 C ATOM 1226 OG SER A 613 4.272 0.192 -7.016 1.00 0.00 O ATOM 0 H SER A 613 0.285 0.069 -8.358 1.00 0.00 H new ATOM 0 HA SER A 613 3.047 -0.809 -8.866 1.00 0.00 H new ATOM 0 HB2 SER A 613 2.489 1.228 -7.058 1.00 0.00 H new ATOM 0 HB3 SER A 613 2.496 -0.202 -6.045 1.00 0.00 H new ATOM 0 HG SER A 613 4.613 0.726 -6.268 1.00 0.00 H new ATOM 1232 N THR A 614 2.633 -2.883 -7.415 1.00 0.00 N ATOM 1233 CA THR A 614 2.265 -4.199 -6.921 1.00 0.00 C ATOM 1234 C THR A 614 3.199 -4.622 -5.784 1.00 0.00 C ATOM 1235 O THR A 614 4.385 -4.859 -6.006 1.00 0.00 O ATOM 1236 CB THR A 614 2.273 -5.168 -8.105 1.00 0.00 C ATOM 1237 OG1 THR A 614 1.676 -4.425 -9.165 1.00 0.00 O ATOM 1238 CG2 THR A 614 1.324 -6.351 -7.899 1.00 0.00 C ATOM 0 H THR A 614 3.631 -2.753 -7.580 1.00 0.00 H new ATOM 0 HA THR A 614 1.263 -4.194 -6.493 1.00 0.00 H new ATOM 0 HB THR A 614 3.286 -5.538 -8.265 1.00 0.00 H new ATOM 0 HG1 THR A 614 1.921 -4.827 -10.025 1.00 0.00 H new ATOM 0 HG21 THR A 614 1.368 -7.008 -8.768 1.00 0.00 H new ATOM 0 HG22 THR A 614 1.622 -6.906 -7.009 1.00 0.00 H new ATOM 0 HG23 THR A 614 0.306 -5.983 -7.773 1.00 0.00 H new ATOM 1246 N TYR A 615 2.627 -4.703 -4.592 1.00 0.00 N ATOM 1247 CA TYR A 615 3.393 -5.093 -3.420 1.00 0.00 C ATOM 1248 C TYR A 615 3.163 -6.567 -3.080 1.00 0.00 C ATOM 1249 O TYR A 615 2.051 -6.961 -2.730 1.00 0.00 O ATOM 1250 CB TYR A 615 2.872 -4.229 -2.270 1.00 0.00 C ATOM 1251 CG TYR A 615 3.851 -4.093 -1.102 1.00 0.00 C ATOM 1252 CD1 TYR A 615 4.216 -5.208 -0.374 1.00 0.00 C ATOM 1253 CD2 TYR A 615 4.369 -2.856 -0.776 1.00 0.00 C ATOM 1254 CE1 TYR A 615 5.137 -5.079 0.726 1.00 0.00 C ATOM 1255 CE2 TYR A 615 5.290 -2.728 0.324 1.00 0.00 C ATOM 1256 CZ TYR A 615 5.629 -3.846 1.020 1.00 0.00 C ATOM 1257 OH TYR A 615 6.499 -3.725 2.058 1.00 0.00 O ATOM 0 H TYR A 615 1.643 -4.505 -4.412 1.00 0.00 H new ATOM 0 HA TYR A 615 4.460 -4.956 -3.596 1.00 0.00 H new ATOM 0 HB2 TYR A 615 2.638 -3.235 -2.652 1.00 0.00 H new ATOM 0 HB3 TYR A 615 1.939 -4.656 -1.901 1.00 0.00 H new ATOM 0 HD1 TYR A 615 3.811 -6.176 -0.629 1.00 0.00 H new ATOM 0 HD2 TYR A 615 4.084 -1.984 -1.346 1.00 0.00 H new ATOM 0 HE1 TYR A 615 5.430 -5.943 1.304 1.00 0.00 H new ATOM 0 HE2 TYR A 615 5.702 -1.766 0.590 1.00 0.00 H new ATOM 0 HH TYR A 615 6.097 -4.104 2.867 1.00 0.00 H new ATOM 1267 N THR A 616 4.232 -7.342 -3.195 1.00 0.00 N ATOM 1268 CA THR A 616 4.160 -8.763 -2.905 1.00 0.00 C ATOM 1269 C THR A 616 4.896 -9.079 -1.601 1.00 0.00 C ATOM 1270 O THR A 616 6.123 -9.169 -1.583 1.00 0.00 O ATOM 1271 CB THR A 616 4.713 -9.521 -4.113 1.00 0.00 C ATOM 1272 OG1 THR A 616 3.794 -9.223 -5.160 1.00 0.00 O ATOM 1273 CG2 THR A 616 4.610 -11.039 -3.949 1.00 0.00 C ATOM 0 H THR A 616 5.152 -7.012 -3.485 1.00 0.00 H new ATOM 0 HA THR A 616 3.130 -9.082 -2.746 1.00 0.00 H new ATOM 0 HB THR A 616 5.755 -9.242 -4.270 1.00 0.00 H new ATOM 0 HG1 THR A 616 4.078 -9.674 -5.983 1.00 0.00 H new ATOM 0 HG21 THR A 616 5.016 -11.529 -4.834 1.00 0.00 H new ATOM 0 HG22 THR A 616 5.176 -11.349 -3.071 1.00 0.00 H new ATOM 0 HG23 THR A 616 3.565 -11.322 -3.826 1.00 0.00 H new ATOM 1281 N PRO A 617 4.096 -9.242 -0.514 1.00 0.00 N ATOM 1282 CA PRO A 617 4.658 -9.546 0.791 1.00 0.00 C ATOM 1283 C PRO A 617 5.114 -11.004 0.865 1.00 0.00 C ATOM 1284 O PRO A 617 4.685 -11.834 0.066 1.00 0.00 O ATOM 1285 CB PRO A 617 3.553 -9.218 1.782 1.00 0.00 C ATOM 1286 CG PRO A 617 2.265 -9.187 0.975 1.00 0.00 C ATOM 1287 CD PRO A 617 2.639 -9.142 -0.498 1.00 0.00 C ATOM 0 HA PRO A 617 5.554 -8.965 1.008 1.00 0.00 H new ATOM 0 HB2 PRO A 617 3.501 -9.968 2.572 1.00 0.00 H new ATOM 0 HB3 PRO A 617 3.734 -8.258 2.265 1.00 0.00 H new ATOM 0 HG2 PRO A 617 1.659 -10.068 1.188 1.00 0.00 H new ATOM 0 HG3 PRO A 617 1.667 -8.316 1.244 1.00 0.00 H new ATOM 0 HD2 PRO A 617 2.180 -9.963 -1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 617 2.300 -8.217 -0.964 1.00 0.00 H new ATOM 1295 N GLY A 618 5.979 -11.272 1.833 1.00 0.00 N ATOM 1296 CA GLY A 618 6.498 -12.616 2.023 1.00 0.00 C ATOM 1297 C GLY A 618 5.493 -13.491 2.775 1.00 0.00 C ATOM 1298 O GLY A 618 4.299 -13.194 2.795 1.00 0.00 O ATOM 0 H GLY A 618 6.333 -10.581 2.494 1.00 0.00 H new ATOM 0 HA2 GLY A 618 6.722 -13.063 1.055 1.00 0.00 H new ATOM 0 HA3 GLY A 618 7.435 -12.573 2.578 1.00 0.00 H new ATOM 1302 N SER A 619 6.013 -14.551 3.375 1.00 0.00 N ATOM 1303 CA SER A 619 5.177 -15.471 4.126 1.00 0.00 C ATOM 1304 C SER A 619 5.704 -15.609 5.556 1.00 0.00 C ATOM 1305 O SER A 619 4.947 -15.478 6.516 1.00 0.00 O ATOM 1306 CB SER A 619 5.118 -16.841 3.448 1.00 0.00 C ATOM 1307 OG SER A 619 6.288 -17.108 2.680 1.00 0.00 O ATOM 0 H SER A 619 7.004 -14.793 3.356 1.00 0.00 H new ATOM 0 HA SER A 619 4.165 -15.067 4.156 1.00 0.00 H new ATOM 0 HB2 SER A 619 4.997 -17.615 4.206 1.00 0.00 H new ATOM 0 HB3 SER A 619 4.242 -16.888 2.802 1.00 0.00 H new ATOM 0 HG SER A 619 6.212 -17.992 2.265 1.00 0.00 H new ATOM 1313 N ASN A 620 6.999 -15.872 5.652 1.00 0.00 N ATOM 1314 CA ASN A 620 7.637 -16.030 6.948 1.00 0.00 C ATOM 1315 C ASN A 620 8.339 -14.724 7.328 1.00 0.00 C ATOM 1316 O ASN A 620 9.566 -14.672 7.394 1.00 0.00 O ATOM 1317 CB ASN A 620 8.689 -17.140 6.914 1.00 0.00 C ATOM 1318 CG ASN A 620 8.099 -18.470 7.387 1.00 0.00 C ATOM 1319 OD1 ASN A 620 6.925 -18.755 7.213 1.00 0.00 O ATOM 1320 ND2 ASN A 620 8.975 -19.265 7.993 1.00 0.00 N ATOM 0 H ASN A 620 7.624 -15.980 4.853 1.00 0.00 H new ATOM 0 HA ASN A 620 6.866 -16.288 7.674 1.00 0.00 H new ATOM 0 HB2 ASN A 620 9.075 -17.249 5.900 1.00 0.00 H new ATOM 0 HB3 ASN A 620 9.532 -16.866 7.548 1.00 0.00 H new ATOM 0 HD21 ASN A 620 8.679 -20.175 8.345 1.00 0.00 H new ATOM 0 HD22 ASN A 620 9.943 -18.965 8.106 1.00 0.00 H new ATOM 1327 N GLY A 621 7.530 -13.703 7.569 1.00 0.00 N ATOM 1328 CA GLY A 621 8.059 -12.401 7.940 1.00 0.00 C ATOM 1329 C GLY A 621 9.322 -12.074 7.142 1.00 0.00 C ATOM 1330 O GLY A 621 10.343 -11.697 7.715 1.00 0.00 O ATOM 0 H GLY A 621 6.513 -13.751 7.515 1.00 0.00 H new ATOM 0 HA2 GLY A 621 7.305 -11.634 7.763 1.00 0.00 H new ATOM 0 HA3 GLY A 621 8.285 -12.387 9.006 1.00 0.00 H new ATOM 1334 N ALA A 622 9.212 -12.231 5.831 1.00 0.00 N ATOM 1335 CA ALA A 622 10.333 -11.956 4.947 1.00 0.00 C ATOM 1336 C ALA A 622 9.916 -10.911 3.911 1.00 0.00 C ATOM 1337 O ALA A 622 9.188 -11.221 2.969 1.00 0.00 O ATOM 1338 CB ALA A 622 10.805 -13.261 4.302 1.00 0.00 C ATOM 0 H ALA A 622 8.364 -12.545 5.359 1.00 0.00 H new ATOM 0 HA ALA A 622 11.173 -11.546 5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 622 11.645 -13.056 3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 622 11.118 -13.959 5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 622 9.989 -13.699 3.728 1.00 0.00 H new ATOM 1344 N ALA A 623 10.395 -9.693 4.120 1.00 0.00 N ATOM 1345 CA ALA A 623 10.081 -8.600 3.216 1.00 0.00 C ATOM 1346 C ALA A 623 10.112 -9.112 1.774 1.00 0.00 C ATOM 1347 O ALA A 623 10.841 -10.052 1.461 1.00 0.00 O ATOM 1348 CB ALA A 623 11.062 -7.449 3.447 1.00 0.00 C ATOM 0 H ALA A 623 10.998 -9.439 4.902 1.00 0.00 H new ATOM 0 HA ALA A 623 9.079 -8.218 3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 623 10.827 -6.629 2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 623 10.981 -7.103 4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 623 12.079 -7.794 3.260 1.00 0.00 H new ATOM 1354 N GLY A 624 9.312 -8.470 0.935 1.00 0.00 N ATOM 1355 CA GLY A 624 9.239 -8.849 -0.466 1.00 0.00 C ATOM 1356 C GLY A 624 9.737 -7.716 -1.366 1.00 0.00 C ATOM 1357 O GLY A 624 10.793 -7.137 -1.115 1.00 0.00 O ATOM 0 H GLY A 624 8.709 -7.690 1.198 1.00 0.00 H new ATOM 0 HA2 GLY A 624 9.838 -9.744 -0.636 1.00 0.00 H new ATOM 0 HA3 GLY A 624 8.210 -9.100 -0.726 1.00 0.00 H new ATOM 1361 N THR A 625 8.954 -7.435 -2.398 1.00 0.00 N ATOM 1362 CA THR A 625 9.303 -6.383 -3.337 1.00 0.00 C ATOM 1363 C THR A 625 8.039 -5.775 -3.949 1.00 0.00 C ATOM 1364 O THR A 625 6.958 -6.353 -3.851 1.00 0.00 O ATOM 1365 CB THR A 625 10.258 -6.974 -4.376 1.00 0.00 C ATOM 1366 OG1 THR A 625 9.699 -8.250 -4.675 1.00 0.00 O ATOM 1367 CG2 THR A 625 11.634 -7.297 -3.789 1.00 0.00 C ATOM 0 H THR A 625 8.079 -7.918 -2.604 1.00 0.00 H new ATOM 0 HA THR A 625 9.813 -5.560 -2.837 1.00 0.00 H new ATOM 0 HB THR A 625 10.372 -6.275 -5.204 1.00 0.00 H new ATOM 0 HG1 THR A 625 10.255 -8.702 -5.343 1.00 0.00 H new ATOM 0 HG21 THR A 625 12.273 -7.714 -4.568 1.00 0.00 H new ATOM 0 HG22 THR A 625 12.086 -6.385 -3.398 1.00 0.00 H new ATOM 0 HG23 THR A 625 11.524 -8.022 -2.983 1.00 0.00 H new ATOM 1375 N ILE A 626 8.218 -4.617 -4.568 1.00 0.00 N ATOM 1376 CA ILE A 626 7.106 -3.924 -5.196 1.00 0.00 C ATOM 1377 C ILE A 626 7.401 -3.743 -6.686 1.00 0.00 C ATOM 1378 O ILE A 626 8.426 -3.173 -7.056 1.00 0.00 O ATOM 1379 CB ILE A 626 6.809 -2.614 -4.464 1.00 0.00 C ATOM 1380 CG1 ILE A 626 7.375 -2.639 -3.043 1.00 0.00 C ATOM 1381 CG2 ILE A 626 5.310 -2.306 -4.479 1.00 0.00 C ATOM 1382 CD1 ILE A 626 8.788 -2.053 -3.005 1.00 0.00 C ATOM 0 H ILE A 626 9.117 -4.141 -4.648 1.00 0.00 H new ATOM 0 HA ILE A 626 6.195 -4.518 -5.120 1.00 0.00 H new ATOM 0 HB ILE A 626 7.310 -1.805 -4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 626 6.724 -2.071 -2.378 1.00 0.00 H new ATOM 0 HG13 ILE A 626 7.392 -3.664 -2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 626 5.126 -1.370 -3.952 1.00 0.00 H new ATOM 0 HG22 ILE A 626 4.967 -2.216 -5.510 1.00 0.00 H new ATOM 0 HG23 ILE A 626 4.768 -3.113 -3.986 1.00 0.00 H new ATOM 0 HD11 ILE A 626 9.167 -2.083 -1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 626 9.442 -2.638 -3.652 1.00 0.00 H new ATOM 0 HD13 ILE A 626 8.763 -1.020 -3.353 1.00 0.00 H new ATOM 1394 N ARG A 627 6.482 -4.240 -7.503 1.00 0.00 N ATOM 1395 CA ARG A 627 6.631 -4.140 -8.945 1.00 0.00 C ATOM 1396 C ARG A 627 5.644 -3.116 -9.510 1.00 0.00 C ATOM 1397 O ARG A 627 4.435 -3.247 -9.326 1.00 0.00 O ATOM 1398 CB ARG A 627 6.393 -5.493 -9.618 1.00 0.00 C ATOM 1399 CG ARG A 627 7.271 -5.649 -10.861 1.00 0.00 C ATOM 1400 CD ARG A 627 8.342 -6.720 -10.644 1.00 0.00 C ATOM 1401 NE ARG A 627 9.647 -6.241 -11.152 1.00 0.00 N ATOM 1402 CZ ARG A 627 10.746 -7.017 -11.264 1.00 0.00 C ATOM 1403 NH1 ARG A 627 10.707 -8.318 -10.906 1.00 0.00 N ATOM 1404 NH2 ARG A 627 11.861 -6.484 -11.730 1.00 0.00 N ATOM 0 H ARG A 627 5.633 -4.712 -7.193 1.00 0.00 H new ATOM 0 HA ARG A 627 7.652 -3.819 -9.152 1.00 0.00 H new ATOM 0 HB2 ARG A 627 6.608 -6.296 -8.913 1.00 0.00 H new ATOM 0 HB3 ARG A 627 5.343 -5.585 -9.896 1.00 0.00 H new ATOM 0 HG2 ARG A 627 6.652 -5.917 -11.717 1.00 0.00 H new ATOM 0 HG3 ARG A 627 7.746 -4.697 -11.097 1.00 0.00 H new ATOM 0 HD2 ARG A 627 8.421 -6.958 -9.583 1.00 0.00 H new ATOM 0 HD3 ARG A 627 8.058 -7.639 -11.157 1.00 0.00 H new ATOM 0 HE ARG A 627 9.721 -5.264 -11.435 1.00 0.00 H new ATOM 0 HH11 ARG A 627 9.842 -8.723 -10.547 1.00 0.00 H new ATOM 0 HH12 ARG A 627 11.542 -8.896 -10.994 1.00 0.00 H new ATOM 0 HH21 ARG A 627 11.883 -5.500 -11.999 1.00 0.00 H new ATOM 0 HH22 ARG A 627 12.701 -7.056 -11.821 1.00 0.00 H new ATOM 1417 N THR A 628 6.196 -2.120 -10.187 1.00 0.00 N ATOM 1418 CA THR A 628 5.380 -1.075 -10.780 1.00 0.00 C ATOM 1419 C THR A 628 4.709 -1.583 -12.058 1.00 0.00 C ATOM 1420 O THR A 628 5.277 -2.404 -12.777 1.00 0.00 O ATOM 1421 CB THR A 628 6.270 0.149 -11.006 1.00 0.00 C ATOM 1422 OG1 THR A 628 7.522 -0.222 -10.436 1.00 0.00 O ATOM 1423 CG2 THR A 628 5.826 1.356 -10.177 1.00 0.00 C ATOM 0 H THR A 628 7.199 -2.015 -10.338 1.00 0.00 H new ATOM 0 HA THR A 628 4.566 -0.784 -10.116 1.00 0.00 H new ATOM 0 HB THR A 628 6.263 0.413 -12.064 1.00 0.00 H new ATOM 0 HG1 THR A 628 8.160 0.515 -10.540 1.00 0.00 H new ATOM 0 HG21 THR A 628 6.490 2.197 -10.374 1.00 0.00 H new ATOM 0 HG22 THR A 628 4.806 1.628 -10.448 1.00 0.00 H new ATOM 0 HG23 THR A 628 5.865 1.104 -9.117 1.00 0.00 H new ATOM 1431 N GLY A 629 3.511 -1.074 -12.302 1.00 0.00 N ATOM 1432 CA GLY A 629 2.757 -1.465 -13.480 1.00 0.00 C ATOM 1433 C GLY A 629 1.521 -2.281 -13.095 1.00 0.00 C ATOM 1434 O GLY A 629 1.582 -3.121 -12.198 1.00 0.00 O ATOM 0 H GLY A 629 3.043 -0.393 -11.703 1.00 0.00 H new ATOM 0 HA2 GLY A 629 2.453 -0.576 -14.033 1.00 0.00 H new ATOM 0 HA3 GLY A 629 3.392 -2.051 -14.144 1.00 0.00 H new ATOM 1438 N ALA A 630 0.429 -2.005 -13.792 1.00 0.00 N ATOM 1439 CA ALA A 630 -0.820 -2.703 -13.534 1.00 0.00 C ATOM 1440 C ALA A 630 -0.639 -4.192 -13.838 1.00 0.00 C ATOM 1441 O ALA A 630 -0.433 -4.574 -14.989 1.00 0.00 O ATOM 1442 CB ALA A 630 -1.939 -2.070 -14.363 1.00 0.00 C ATOM 0 H ALA A 630 0.383 -1.308 -14.535 1.00 0.00 H new ATOM 0 HA ALA A 630 -1.101 -2.613 -12.485 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -2.876 -2.593 -14.170 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -2.046 -1.021 -14.088 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -1.694 -2.145 -15.422 1.00 0.00 H new ATOM 1448 N PRO A 631 -0.726 -5.014 -12.757 1.00 0.00 N ATOM 1449 CA PRO A 631 -0.575 -6.452 -12.897 1.00 0.00 C ATOM 1450 C PRO A 631 -1.826 -7.077 -13.517 1.00 0.00 C ATOM 1451 O PRO A 631 -2.872 -6.434 -13.594 1.00 0.00 O ATOM 1452 CB PRO A 631 -0.292 -6.956 -11.492 1.00 0.00 C ATOM 1453 CG PRO A 631 -0.754 -5.854 -10.552 1.00 0.00 C ATOM 1454 CD PRO A 631 -0.969 -4.597 -11.380 1.00 0.00 C ATOM 0 HA PRO A 631 0.234 -6.726 -13.574 1.00 0.00 H new ATOM 0 HB2 PRO A 631 -0.826 -7.886 -11.296 1.00 0.00 H new ATOM 0 HB3 PRO A 631 0.770 -7.164 -11.358 1.00 0.00 H new ATOM 0 HG2 PRO A 631 -1.677 -6.143 -10.049 1.00 0.00 H new ATOM 0 HG3 PRO A 631 -0.010 -5.677 -9.775 1.00 0.00 H new ATOM 0 HD2 PRO A 631 -1.980 -4.210 -11.256 1.00 0.00 H new ATOM 0 HD3 PRO A 631 -0.285 -3.803 -11.080 1.00 0.00 H new ATOM 1462 N SER A 632 -1.678 -8.323 -13.942 1.00 0.00 N ATOM 1463 CA SER A 632 -2.783 -9.042 -14.552 1.00 0.00 C ATOM 1464 C SER A 632 -2.790 -10.495 -14.073 1.00 0.00 C ATOM 1465 O SER A 632 -2.250 -11.375 -14.741 1.00 0.00 O ATOM 1466 CB SER A 632 -2.701 -8.987 -16.079 1.00 0.00 C ATOM 1467 OG SER A 632 -1.545 -9.656 -16.575 1.00 0.00 O ATOM 0 H SER A 632 -0.809 -8.853 -13.876 1.00 0.00 H new ATOM 0 HA SER A 632 -3.713 -8.561 -14.248 1.00 0.00 H new ATOM 0 HB2 SER A 632 -3.595 -9.441 -16.507 1.00 0.00 H new ATOM 0 HB3 SER A 632 -2.686 -7.947 -16.404 1.00 0.00 H new ATOM 0 HG SER A 632 -1.414 -10.492 -16.081 1.00 0.00 H new ATOM 1473 N GLY A 633 -3.408 -10.702 -12.919 1.00 0.00 N ATOM 1474 CA GLY A 633 -3.492 -12.033 -12.343 1.00 0.00 C ATOM 1475 C GLY A 633 -2.127 -12.495 -11.829 1.00 0.00 C ATOM 1476 O GLY A 633 -1.719 -13.630 -12.074 1.00 0.00 O ATOM 0 H GLY A 633 -3.855 -9.970 -12.368 1.00 0.00 H new ATOM 0 HA2 GLY A 633 -4.212 -12.034 -11.525 1.00 0.00 H new ATOM 0 HA3 GLY A 633 -3.859 -12.735 -13.092 1.00 0.00 H new TER 1480 GLY A 633