USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=32 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 64:sc= 1.29 USER MOD Set 1.2: A 610 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 600 SER OG : rot -80:sc= -3.15! USER MOD Set 2.2: A 605 ASN : amide:sc= -0.404 K(o=-3.6,f=-4.1) USER MOD Set 3.1: A 537 THR OG1 : rot -75:sc= 0.719 USER MOD Set 3.2: A 578 THR OG1 : rot 180:sc= 1.03 USER MOD Single : A 532 THR OG1 : rot 103:sc= 0.09 USER MOD Single : A 533 THR OG1 : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= -2.85! C(o=-2.9!,f=-3.3!) USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 539 TYR OH : rot 180:sc= -0.284 USER MOD Single : A 540 TYR OH : rot 180:sc= -0.196 USER MOD Single : A 541 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 542 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 ASN : amide:sc= -0.0356 X(o=-0.036,f=0) USER MOD Single : A 546 SER OG : rot 180:sc= 0 USER MOD Single : A 548 TYR OH : rot 180:sc= 0 USER MOD Single : A 550 HIS :FLIP no HE2:sc= -3.86! F(o=-5.5,f=-3.9!) USER MOD Single : A 551 TYR OH : rot 178:sc= -5.04! USER MOD Single : A 557 SER OG : rot 180:sc= -0.25 USER MOD Single : A 559 THR OG1 : rot 180:sc= 0 USER MOD Single : A 565 LYS NZ :NH3+ -160:sc= -0.392 (180deg=-1.28!) USER MOD Single : A 566 MET CE :methyl -120:sc= -4.69! (180deg=-11.7!) USER MOD Single : A 567 GLN : amide:sc=-0.00529 X(o=-0.0053,f=0) USER MOD Single : A 572 SER OG : rot 73:sc= 0.587 USER MOD Single : A 574 TYR OH : rot 180:sc=-0.00879 USER MOD Single : A 576 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 583 SER OG : rot 180:sc= 0 USER MOD Single : A 585 SER OG : rot 180:sc= 0 USER MOD Single : A 586 GLN : amide:sc= -0.0645 K(o=-0.065,f=-2.4!) USER MOD Single : A 592 ASN : amide:sc= -0.471 X(o=-0.47,f=-0.51) USER MOD Single : A 595 ASN : amide:sc=-0.00659 X(o=-0.0066,f=-0.21) USER MOD Single : A 596 ASN : amide:sc= -0.0592 K(o=-0.059,f=-1.6!) USER MOD Single : A 597 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 601 ASN : amide:sc= -0.735 X(o=-0.73,f=-0.47) USER MOD Single : A 602 ASN : amide:sc= -3.43! C(o=-3.4!,f=-4!) USER MOD Single : A 603 THR OG1 : rot -70:sc= 1.07 USER MOD Single : A 604 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 606 TYR OH : rot 149:sc= -1.08 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 89:sc= -1.02 USER MOD Single : A 615 TYR OH : rot 141:sc= -0.933! 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= -6.17! C(o=-6.2!,f=-8.9!) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 628 THR OG1 : rot 180:sc= 0.0796 USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 530 -11.357 22.822 -4.768 1.00 0.00 N ATOM 2 CA GLY A 530 -10.760 21.981 -5.792 1.00 0.00 C ATOM 3 C GLY A 530 -9.294 21.684 -5.470 1.00 0.00 C ATOM 4 O GLY A 530 -8.973 21.244 -4.368 1.00 0.00 O ATOM 0 HA2 GLY A 530 -11.316 21.047 -5.870 1.00 0.00 H new ATOM 0 HA3 GLY A 530 -10.831 22.476 -6.761 1.00 0.00 H new ATOM 8 N GLY A 531 -8.443 21.939 -6.454 1.00 0.00 N ATOM 9 CA GLY A 531 -7.018 21.705 -6.290 1.00 0.00 C ATOM 10 C GLY A 531 -6.629 20.314 -6.794 1.00 0.00 C ATOM 11 O GLY A 531 -6.518 19.373 -6.008 1.00 0.00 O ATOM 0 H GLY A 531 -8.713 22.305 -7.367 1.00 0.00 H new ATOM 0 HA2 GLY A 531 -6.456 22.463 -6.835 1.00 0.00 H new ATOM 0 HA3 GLY A 531 -6.748 21.803 -5.238 1.00 0.00 H new ATOM 15 N THR A 532 -6.433 20.226 -8.101 1.00 0.00 N ATOM 16 CA THR A 532 -6.058 18.966 -8.719 1.00 0.00 C ATOM 17 C THR A 532 -5.109 18.186 -7.808 1.00 0.00 C ATOM 18 O THR A 532 -4.163 18.751 -7.262 1.00 0.00 O ATOM 19 CB THR A 532 -5.465 19.272 -10.096 1.00 0.00 C ATOM 20 OG1 THR A 532 -6.271 20.337 -10.592 1.00 0.00 O ATOM 21 CG2 THR A 532 -5.689 18.136 -11.096 1.00 0.00 C ATOM 0 H THR A 532 -6.527 21.008 -8.750 1.00 0.00 H new ATOM 0 HA THR A 532 -6.926 18.321 -8.859 1.00 0.00 H new ATOM 0 HB THR A 532 -4.396 19.462 -9.997 1.00 0.00 H new ATOM 0 HG1 THR A 532 -5.785 21.183 -10.505 1.00 0.00 H new ATOM 0 HG21 THR A 532 -5.249 18.405 -12.056 1.00 0.00 H new ATOM 0 HG22 THR A 532 -5.219 17.226 -10.724 1.00 0.00 H new ATOM 0 HG23 THR A 532 -6.759 17.967 -11.222 1.00 0.00 H new ATOM 29 N THR A 533 -5.394 16.899 -7.671 1.00 0.00 N ATOM 30 CA THR A 533 -4.577 16.036 -6.835 1.00 0.00 C ATOM 31 C THR A 533 -4.269 14.726 -7.562 1.00 0.00 C ATOM 32 O THR A 533 -4.948 14.371 -8.525 1.00 0.00 O ATOM 33 CB THR A 533 -5.308 15.836 -5.506 1.00 0.00 C ATOM 34 OG1 THR A 533 -6.678 15.711 -5.878 1.00 0.00 O ATOM 35 CG2 THR A 533 -5.274 17.086 -4.625 1.00 0.00 C ATOM 0 H THR A 533 -6.180 16.433 -8.125 1.00 0.00 H new ATOM 0 HA THR A 533 -3.609 16.490 -6.625 1.00 0.00 H new ATOM 0 HB THR A 533 -4.860 15.001 -4.968 1.00 0.00 H new ATOM 0 HG1 THR A 533 -7.224 15.576 -5.075 1.00 0.00 H new ATOM 0 HG21 THR A 533 -5.807 16.890 -3.695 1.00 0.00 H new ATOM 0 HG22 THR A 533 -4.239 17.346 -4.403 1.00 0.00 H new ATOM 0 HG23 THR A 533 -5.752 17.914 -5.149 1.00 0.00 H new ATOM 43 N ASN A 534 -3.244 14.042 -7.074 1.00 0.00 N ATOM 44 CA ASN A 534 -2.838 12.779 -7.666 1.00 0.00 C ATOM 45 C ASN A 534 -3.267 11.631 -6.750 1.00 0.00 C ATOM 46 O ASN A 534 -3.736 11.862 -5.637 1.00 0.00 O ATOM 47 CB ASN A 534 -1.318 12.711 -7.829 1.00 0.00 C ATOM 48 CG ASN A 534 -0.932 12.524 -9.298 1.00 0.00 C ATOM 49 OD1 ASN A 534 -1.545 11.771 -10.036 1.00 0.00 O ATOM 50 ND2 ASN A 534 0.116 13.250 -9.678 1.00 0.00 N ATOM 0 H ASN A 534 -2.683 14.339 -6.276 1.00 0.00 H new ATOM 0 HA ASN A 534 -3.310 12.698 -8.645 1.00 0.00 H new ATOM 0 HB2 ASN A 534 -0.866 13.625 -7.444 1.00 0.00 H new ATOM 0 HB3 ASN A 534 -0.922 11.886 -7.237 1.00 0.00 H new ATOM 0 HD21 ASN A 534 0.452 13.196 -10.639 1.00 0.00 H new ATOM 0 HD22 ASN A 534 0.583 13.861 -9.008 1.00 0.00 H new ATOM 57 N LYS A 535 -3.090 10.418 -7.253 1.00 0.00 N ATOM 58 CA LYS A 535 -3.453 9.233 -6.494 1.00 0.00 C ATOM 59 C LYS A 535 -2.484 8.099 -6.833 1.00 0.00 C ATOM 60 O LYS A 535 -1.940 8.051 -7.936 1.00 0.00 O ATOM 61 CB LYS A 535 -4.923 8.876 -6.728 1.00 0.00 C ATOM 62 CG LYS A 535 -5.841 10.011 -6.270 1.00 0.00 C ATOM 63 CD LYS A 535 -7.277 9.515 -6.089 1.00 0.00 C ATOM 64 CE LYS A 535 -8.212 10.153 -7.118 1.00 0.00 C ATOM 65 NZ LYS A 535 -8.607 11.513 -6.687 1.00 0.00 N ATOM 0 H LYS A 535 -2.700 10.230 -8.177 1.00 0.00 H new ATOM 0 HA LYS A 535 -3.361 9.423 -5.425 1.00 0.00 H new ATOM 0 HB2 LYS A 535 -5.088 8.674 -7.786 1.00 0.00 H new ATOM 0 HB3 LYS A 535 -5.170 7.963 -6.187 1.00 0.00 H new ATOM 0 HG2 LYS A 535 -5.474 10.424 -5.330 1.00 0.00 H new ATOM 0 HG3 LYS A 535 -5.821 10.818 -7.002 1.00 0.00 H new ATOM 0 HD2 LYS A 535 -7.306 8.430 -6.190 1.00 0.00 H new ATOM 0 HD3 LYS A 535 -7.623 9.751 -5.083 1.00 0.00 H new ATOM 0 HE2 LYS A 535 -7.716 10.202 -8.087 1.00 0.00 H new ATOM 0 HE3 LYS A 535 -9.100 9.533 -7.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 -9.242 11.932 -7.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 -9.099 11.458 -5.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 -7.758 12.106 -6.589 1.00 0.00 H new ATOM 78 N VAL A 536 -2.297 7.214 -5.865 1.00 0.00 N ATOM 79 CA VAL A 536 -1.402 6.083 -6.047 1.00 0.00 C ATOM 80 C VAL A 536 -2.187 4.783 -5.863 1.00 0.00 C ATOM 81 O VAL A 536 -2.654 4.486 -4.765 1.00 0.00 O ATOM 82 CB VAL A 536 -0.210 6.201 -5.096 1.00 0.00 C ATOM 83 CG1 VAL A 536 1.071 5.688 -5.757 1.00 0.00 C ATOM 84 CG2 VAL A 536 -0.036 7.642 -4.610 1.00 0.00 C ATOM 0 H VAL A 536 -2.750 7.257 -4.952 1.00 0.00 H new ATOM 0 HA VAL A 536 -0.995 6.077 -7.058 1.00 0.00 H new ATOM 0 HB VAL A 536 -0.413 5.576 -4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 536 1.903 5.783 -5.060 1.00 0.00 H new ATOM 0 HG12 VAL A 536 0.945 4.641 -6.031 1.00 0.00 H new ATOM 0 HG13 VAL A 536 1.279 6.275 -6.652 1.00 0.00 H new ATOM 0 HG21 VAL A 536 0.818 7.698 -3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 536 0.133 8.296 -5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -0.936 7.959 -4.083 1.00 0.00 H new ATOM 94 N THR A 537 -2.308 4.042 -6.955 1.00 0.00 N ATOM 95 CA THR A 537 -3.028 2.781 -6.928 1.00 0.00 C ATOM 96 C THR A 537 -2.048 1.606 -6.967 1.00 0.00 C ATOM 97 O THR A 537 -1.260 1.482 -7.903 1.00 0.00 O ATOM 98 CB THR A 537 -4.024 2.780 -8.089 1.00 0.00 C ATOM 99 OG1 THR A 537 -4.977 3.777 -7.731 1.00 0.00 O ATOM 100 CG2 THR A 537 -4.843 1.489 -8.157 1.00 0.00 C ATOM 0 H THR A 537 -1.919 4.291 -7.864 1.00 0.00 H new ATOM 0 HA THR A 537 -3.588 2.666 -6.000 1.00 0.00 H new ATOM 0 HB THR A 537 -3.487 2.919 -9.027 1.00 0.00 H new ATOM 0 HG1 THR A 537 -5.567 3.429 -7.031 1.00 0.00 H new ATOM 0 HG21 THR A 537 -5.534 1.540 -8.998 1.00 0.00 H new ATOM 0 HG22 THR A 537 -4.173 0.640 -8.289 1.00 0.00 H new ATOM 0 HG23 THR A 537 -5.406 1.366 -7.232 1.00 0.00 H new ATOM 108 N VAL A 538 -2.131 0.774 -5.939 1.00 0.00 N ATOM 109 CA VAL A 538 -1.261 -0.386 -5.844 1.00 0.00 C ATOM 110 C VAL A 538 -2.111 -1.639 -5.628 1.00 0.00 C ATOM 111 O VAL A 538 -3.102 -1.603 -4.900 1.00 0.00 O ATOM 112 CB VAL A 538 -0.221 -0.171 -4.742 1.00 0.00 C ATOM 113 CG1 VAL A 538 -0.897 0.135 -3.403 1.00 0.00 C ATOM 114 CG2 VAL A 538 0.708 -1.381 -4.623 1.00 0.00 C ATOM 0 H VAL A 538 -2.787 0.880 -5.165 1.00 0.00 H new ATOM 0 HA VAL A 538 -0.707 -0.525 -6.772 1.00 0.00 H new ATOM 0 HB VAL A 538 0.386 0.692 -5.016 1.00 0.00 H new ATOM 0 HG11 VAL A 538 -0.136 0.284 -2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 538 -1.498 1.039 -3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 538 -1.539 -0.700 -3.120 1.00 0.00 H new ATOM 0 HG21 VAL A 538 1.438 -1.203 -3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 538 0.122 -2.268 -4.382 1.00 0.00 H new ATOM 0 HG23 VAL A 538 1.227 -1.535 -5.569 1.00 0.00 H new ATOM 124 N TYR A 539 -1.693 -2.717 -6.274 1.00 0.00 N ATOM 125 CA TYR A 539 -2.405 -3.980 -6.162 1.00 0.00 C ATOM 126 C TYR A 539 -1.610 -4.984 -5.325 1.00 0.00 C ATOM 127 O TYR A 539 -0.424 -5.201 -5.571 1.00 0.00 O ATOM 128 CB TYR A 539 -2.540 -4.516 -7.589 1.00 0.00 C ATOM 129 CG TYR A 539 -3.808 -4.055 -8.309 1.00 0.00 C ATOM 130 CD1 TYR A 539 -4.274 -2.768 -8.131 1.00 0.00 C ATOM 131 CD2 TYR A 539 -4.487 -4.926 -9.137 1.00 0.00 C ATOM 132 CE1 TYR A 539 -5.468 -2.334 -8.809 1.00 0.00 C ATOM 133 CE2 TYR A 539 -5.681 -4.492 -9.815 1.00 0.00 C ATOM 134 CZ TYR A 539 -6.112 -3.217 -9.618 1.00 0.00 C ATOM 135 OH TYR A 539 -7.240 -2.808 -10.258 1.00 0.00 O ATOM 0 H TYR A 539 -0.871 -2.743 -6.877 1.00 0.00 H new ATOM 0 HA TYR A 539 -3.371 -3.835 -5.677 1.00 0.00 H new ATOM 0 HB2 TYR A 539 -1.671 -4.202 -8.168 1.00 0.00 H new ATOM 0 HB3 TYR A 539 -2.527 -5.606 -7.560 1.00 0.00 H new ATOM 0 HD1 TYR A 539 -3.743 -2.086 -7.483 1.00 0.00 H new ATOM 0 HD2 TYR A 539 -4.123 -5.933 -9.276 1.00 0.00 H new ATOM 0 HE1 TYR A 539 -5.843 -1.330 -8.678 1.00 0.00 H new ATOM 0 HE2 TYR A 539 -6.222 -5.164 -10.465 1.00 0.00 H new ATOM 0 HH TYR A 539 -7.592 -3.543 -10.802 1.00 0.00 H new ATOM 145 N TYR A 540 -2.295 -5.571 -4.355 1.00 0.00 N ATOM 146 CA TYR A 540 -1.668 -6.547 -3.481 1.00 0.00 C ATOM 147 C TYR A 540 -2.262 -7.940 -3.699 1.00 0.00 C ATOM 148 O TYR A 540 -3.470 -8.082 -3.880 1.00 0.00 O ATOM 149 CB TYR A 540 -1.974 -6.093 -2.052 1.00 0.00 C ATOM 150 CG TYR A 540 -1.938 -7.221 -1.019 1.00 0.00 C ATOM 151 CD1 TYR A 540 -0.778 -7.943 -0.826 1.00 0.00 C ATOM 152 CD2 TYR A 540 -3.066 -7.517 -0.280 1.00 0.00 C ATOM 153 CE1 TYR A 540 -0.744 -9.005 0.146 1.00 0.00 C ATOM 154 CE2 TYR A 540 -3.032 -8.579 0.692 1.00 0.00 C ATOM 155 CZ TYR A 540 -1.873 -9.270 0.857 1.00 0.00 C ATOM 156 OH TYR A 540 -1.840 -10.273 1.775 1.00 0.00 O ATOM 0 H TYR A 540 -3.279 -5.389 -4.155 1.00 0.00 H new ATOM 0 HA TYR A 540 -0.598 -6.608 -3.680 1.00 0.00 H new ATOM 0 HB2 TYR A 540 -1.254 -5.327 -1.763 1.00 0.00 H new ATOM 0 HB3 TYR A 540 -2.960 -5.628 -2.033 1.00 0.00 H new ATOM 0 HD1 TYR A 540 0.104 -7.712 -1.404 1.00 0.00 H new ATOM 0 HD2 TYR A 540 -3.974 -6.952 -0.431 1.00 0.00 H new ATOM 0 HE1 TYR A 540 0.157 -9.578 0.307 1.00 0.00 H new ATOM 0 HE2 TYR A 540 -3.907 -8.821 1.277 1.00 0.00 H new ATOM 0 HH TYR A 540 -2.716 -10.349 2.208 1.00 0.00 H new ATOM 166 N LYS A 541 -1.385 -8.933 -3.675 1.00 0.00 N ATOM 167 CA LYS A 541 -1.808 -10.310 -3.867 1.00 0.00 C ATOM 168 C LYS A 541 -2.132 -10.935 -2.509 1.00 0.00 C ATOM 169 O LYS A 541 -1.242 -11.123 -1.681 1.00 0.00 O ATOM 170 CB LYS A 541 -0.759 -11.086 -4.667 1.00 0.00 C ATOM 171 CG LYS A 541 -1.292 -12.458 -5.083 1.00 0.00 C ATOM 172 CD LYS A 541 -0.357 -13.126 -6.093 1.00 0.00 C ATOM 173 CE LYS A 541 -0.948 -14.443 -6.600 1.00 0.00 C ATOM 174 NZ LYS A 541 0.129 -15.365 -7.025 1.00 0.00 N ATOM 0 H LYS A 541 -0.383 -8.811 -3.526 1.00 0.00 H new ATOM 0 HA LYS A 541 -2.721 -10.348 -4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -0.478 -10.517 -5.553 1.00 0.00 H new ATOM 0 HB3 LYS A 541 0.143 -11.209 -4.068 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -1.397 -13.093 -4.204 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -2.285 -12.350 -5.518 1.00 0.00 H new ATOM 0 HD2 LYS A 541 -0.184 -12.454 -6.933 1.00 0.00 H new ATOM 0 HD3 LYS A 541 0.612 -13.313 -5.629 1.00 0.00 H new ATOM 0 HE2 LYS A 541 -1.543 -14.908 -5.814 1.00 0.00 H new ATOM 0 HE3 LYS A 541 -1.620 -14.249 -7.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 -0.289 -16.254 -7.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 0.680 -14.926 -7.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 0.754 -15.564 -6.218 1.00 0.00 H new ATOM 187 N LYS A 542 -3.408 -11.238 -2.322 1.00 0.00 N ATOM 188 CA LYS A 542 -3.860 -11.837 -1.078 1.00 0.00 C ATOM 189 C LYS A 542 -3.582 -13.342 -1.111 1.00 0.00 C ATOM 190 O LYS A 542 -3.755 -13.986 -2.145 1.00 0.00 O ATOM 191 CB LYS A 542 -5.327 -11.488 -0.817 1.00 0.00 C ATOM 192 CG LYS A 542 -6.012 -12.581 0.007 1.00 0.00 C ATOM 193 CD LYS A 542 -7.020 -11.977 0.987 1.00 0.00 C ATOM 194 CE LYS A 542 -8.133 -11.237 0.243 1.00 0.00 C ATOM 195 NZ LYS A 542 -9.461 -11.686 0.716 1.00 0.00 N ATOM 0 H LYS A 542 -4.143 -11.080 -3.011 1.00 0.00 H new ATOM 0 HA LYS A 542 -3.304 -11.428 -0.234 1.00 0.00 H new ATOM 0 HB2 LYS A 542 -5.390 -10.536 -0.289 1.00 0.00 H new ATOM 0 HB3 LYS A 542 -5.849 -11.362 -1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 542 -6.520 -13.279 -0.659 1.00 0.00 H new ATOM 0 HG3 LYS A 542 -5.263 -13.151 0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 542 -7.452 -12.766 1.603 1.00 0.00 H new ATOM 0 HD3 LYS A 542 -6.510 -11.290 1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 542 -8.030 -10.163 0.397 1.00 0.00 H new ATOM 0 HE3 LYS A 542 -8.043 -11.415 -0.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 542 -10.205 -11.173 0.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 542 -9.563 -12.707 0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 542 -9.550 -11.494 1.734 1.00 0.00 H new ATOM 208 N GLY A 543 -3.157 -13.858 0.032 1.00 0.00 N ATOM 209 CA GLY A 543 -2.979 -13.025 1.209 1.00 0.00 C ATOM 210 C GLY A 543 -3.274 -13.811 2.488 1.00 0.00 C ATOM 211 O GLY A 543 -2.853 -14.959 2.626 1.00 0.00 O ATOM 0 H GLY A 543 -2.930 -14.843 0.169 1.00 0.00 H new ATOM 0 HA2 GLY A 543 -1.958 -12.645 1.239 1.00 0.00 H new ATOM 0 HA3 GLY A 543 -3.639 -12.160 1.149 1.00 0.00 H new ATOM 215 N PHE A 544 -3.996 -13.163 3.390 1.00 0.00 N ATOM 216 CA PHE A 544 -4.353 -13.788 4.653 1.00 0.00 C ATOM 217 C PHE A 544 -5.872 -13.862 4.818 1.00 0.00 C ATOM 218 O PHE A 544 -6.558 -14.483 4.008 1.00 0.00 O ATOM 219 CB PHE A 544 -3.773 -12.912 5.765 1.00 0.00 C ATOM 220 CG PHE A 544 -2.257 -12.722 5.681 1.00 0.00 C ATOM 221 CD1 PHE A 544 -1.740 -11.683 4.971 1.00 0.00 C ATOM 222 CD2 PHE A 544 -1.427 -13.592 6.317 1.00 0.00 C ATOM 223 CE1 PHE A 544 -0.333 -11.507 4.894 1.00 0.00 C ATOM 224 CE2 PHE A 544 -0.020 -13.415 6.239 1.00 0.00 C ATOM 225 CZ PHE A 544 0.497 -12.377 5.529 1.00 0.00 C ATOM 0 H PHE A 544 -4.344 -12.211 3.272 1.00 0.00 H new ATOM 0 HA PHE A 544 -3.961 -14.804 4.689 1.00 0.00 H new ATOM 0 HB2 PHE A 544 -4.254 -11.934 5.731 1.00 0.00 H new ATOM 0 HB3 PHE A 544 -4.020 -13.356 6.729 1.00 0.00 H new ATOM 0 HD1 PHE A 544 -2.399 -10.992 4.466 1.00 0.00 H new ATOM 0 HD2 PHE A 544 -1.838 -14.417 6.881 1.00 0.00 H new ATOM 0 HE1 PHE A 544 0.078 -10.682 4.331 1.00 0.00 H new ATOM 0 HE2 PHE A 544 0.640 -14.105 6.744 1.00 0.00 H new ATOM 0 HZ PHE A 544 1.567 -12.244 5.469 1.00 0.00 H new ATOM 235 N ASN A 545 -6.352 -13.220 5.872 1.00 0.00 N ATOM 236 CA ASN A 545 -7.778 -13.206 6.154 1.00 0.00 C ATOM 237 C ASN A 545 -8.258 -11.757 6.260 1.00 0.00 C ATOM 238 O ASN A 545 -9.132 -11.332 5.506 1.00 0.00 O ATOM 239 CB ASN A 545 -8.084 -13.903 7.481 1.00 0.00 C ATOM 240 CG ASN A 545 -7.899 -15.417 7.360 1.00 0.00 C ATOM 241 OD1 ASN A 545 -8.845 -16.175 7.223 1.00 0.00 O ATOM 242 ND2 ASN A 545 -6.631 -15.814 7.418 1.00 0.00 N ATOM 0 H ASN A 545 -5.780 -12.706 6.541 1.00 0.00 H new ATOM 0 HA ASN A 545 -8.287 -13.731 5.345 1.00 0.00 H new ATOM 0 HB2 ASN A 545 -7.428 -13.514 8.260 1.00 0.00 H new ATOM 0 HB3 ASN A 545 -9.107 -13.681 7.785 1.00 0.00 H new ATOM 0 HD21 ASN A 545 -6.403 -16.806 7.347 1.00 0.00 H new ATOM 0 HD22 ASN A 545 -5.886 -15.127 7.534 1.00 0.00 H new ATOM 249 N SER A 546 -7.664 -11.038 7.201 1.00 0.00 N ATOM 250 CA SER A 546 -8.020 -9.645 7.415 1.00 0.00 C ATOM 251 C SER A 546 -6.757 -8.809 7.631 1.00 0.00 C ATOM 252 O SER A 546 -6.584 -8.201 8.686 1.00 0.00 O ATOM 253 CB SER A 546 -8.966 -9.496 8.609 1.00 0.00 C ATOM 254 OG SER A 546 -10.253 -10.045 8.342 1.00 0.00 O ATOM 0 H SER A 546 -6.939 -11.394 7.824 1.00 0.00 H new ATOM 0 HA SER A 546 -8.539 -9.284 6.527 1.00 0.00 H new ATOM 0 HB2 SER A 546 -8.534 -9.992 9.478 1.00 0.00 H new ATOM 0 HB3 SER A 546 -9.067 -8.441 8.862 1.00 0.00 H new ATOM 0 HG SER A 546 -10.827 -9.932 9.128 1.00 0.00 H new ATOM 260 N PRO A 547 -5.884 -8.806 6.588 1.00 0.00 N ATOM 261 CA PRO A 547 -4.642 -8.055 6.654 1.00 0.00 C ATOM 262 C PRO A 547 -4.899 -6.556 6.488 1.00 0.00 C ATOM 263 O PRO A 547 -5.821 -6.155 5.779 1.00 0.00 O ATOM 264 CB PRO A 547 -3.774 -8.634 5.549 1.00 0.00 C ATOM 265 CG PRO A 547 -4.722 -9.363 4.611 1.00 0.00 C ATOM 266 CD PRO A 547 -6.056 -9.516 5.324 1.00 0.00 C ATOM 0 HA PRO A 547 -4.146 -8.145 7.621 1.00 0.00 H new ATOM 0 HB2 PRO A 547 -3.234 -7.846 5.024 1.00 0.00 H new ATOM 0 HB3 PRO A 547 -3.027 -9.315 5.956 1.00 0.00 H new ATOM 0 HG2 PRO A 547 -4.847 -8.804 3.684 1.00 0.00 H new ATOM 0 HG3 PRO A 547 -4.318 -10.339 4.343 1.00 0.00 H new ATOM 0 HD2 PRO A 547 -6.870 -9.089 4.738 1.00 0.00 H new ATOM 0 HD3 PRO A 547 -6.299 -10.566 5.489 1.00 0.00 H new ATOM 274 N TYR A 548 -4.068 -5.768 7.154 1.00 0.00 N ATOM 275 CA TYR A 548 -4.193 -4.322 7.090 1.00 0.00 C ATOM 276 C TYR A 548 -2.896 -3.681 6.593 1.00 0.00 C ATOM 277 O TYR A 548 -1.817 -4.249 6.754 1.00 0.00 O ATOM 278 CB TYR A 548 -4.461 -3.858 8.523 1.00 0.00 C ATOM 279 CG TYR A 548 -5.932 -3.553 8.813 1.00 0.00 C ATOM 280 CD1 TYR A 548 -6.447 -2.304 8.529 1.00 0.00 C ATOM 281 CD2 TYR A 548 -6.745 -4.526 9.358 1.00 0.00 C ATOM 282 CE1 TYR A 548 -7.831 -2.016 8.802 1.00 0.00 C ATOM 283 CE2 TYR A 548 -8.129 -4.238 9.631 1.00 0.00 C ATOM 284 CZ TYR A 548 -8.604 -2.998 9.340 1.00 0.00 C ATOM 285 OH TYR A 548 -9.911 -2.726 9.598 1.00 0.00 O ATOM 0 H TYR A 548 -3.305 -6.104 7.741 1.00 0.00 H new ATOM 0 HA TYR A 548 -4.989 -4.036 6.402 1.00 0.00 H new ATOM 0 HB2 TYR A 548 -4.117 -4.628 9.214 1.00 0.00 H new ATOM 0 HB3 TYR A 548 -3.869 -2.964 8.721 1.00 0.00 H new ATOM 0 HD1 TYR A 548 -5.811 -1.543 8.102 1.00 0.00 H new ATOM 0 HD2 TYR A 548 -6.343 -5.504 9.580 1.00 0.00 H new ATOM 0 HE1 TYR A 548 -8.246 -1.043 8.585 1.00 0.00 H new ATOM 0 HE2 TYR A 548 -8.776 -4.991 10.058 1.00 0.00 H new ATOM 0 HH TYR A 548 -10.341 -3.520 9.979 1.00 0.00 H new ATOM 295 N ILE A 549 -3.044 -2.506 5.999 1.00 0.00 N ATOM 296 CA ILE A 549 -1.897 -1.781 5.478 1.00 0.00 C ATOM 297 C ILE A 549 -1.872 -0.374 6.079 1.00 0.00 C ATOM 298 O ILE A 549 -2.921 0.232 6.292 1.00 0.00 O ATOM 299 CB ILE A 549 -1.904 -1.796 3.948 1.00 0.00 C ATOM 300 CG1 ILE A 549 -1.028 -0.675 3.385 1.00 0.00 C ATOM 301 CG2 ILE A 549 -3.334 -1.734 3.406 1.00 0.00 C ATOM 302 CD1 ILE A 549 -0.412 -1.083 2.045 1.00 0.00 C ATOM 0 H ILE A 549 -3.941 -2.038 5.867 1.00 0.00 H new ATOM 0 HA ILE A 549 -0.970 -2.271 5.775 1.00 0.00 H new ATOM 0 HB ILE A 549 -1.473 -2.740 3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -1.625 0.228 3.255 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -0.237 -0.435 4.095 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -3.311 -1.746 2.316 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -3.897 -2.595 3.767 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -3.814 -0.817 3.749 1.00 0.00 H new ATOM 0 HD11 ILE A 549 0.206 -0.269 1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 549 0.203 -1.972 2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -1.206 -1.299 1.330 1.00 0.00 H new ATOM 314 N HIS A 550 -0.664 0.103 6.337 1.00 0.00 N ATOM 315 CA HIS A 550 -0.488 1.427 6.909 1.00 0.00 C ATOM 316 C HIS A 550 0.520 2.218 6.073 1.00 0.00 C ATOM 317 O HIS A 550 1.685 1.836 5.974 1.00 0.00 O ATOM 318 CB HIS A 550 -0.092 1.333 8.384 1.00 0.00 C ATOM 319 CG HIS A 550 -0.380 2.585 9.178 1.00 0.00 C ATOM 320 ND1 HIS A 550 -0.095 2.904 10.473 1.00 0.00 N flip ATOM 321 CD2 HIS A 550 -1.037 3.679 8.641 1.00 0.00 C flip ATOM 322 CE1 HIS A 550 -0.552 4.127 10.714 1.00 0.00 C flip ATOM 323 NE2 HIS A 550 -1.136 4.609 9.580 1.00 0.00 N flip ATOM 0 H HIS A 550 0.203 -0.404 6.160 1.00 0.00 H new ATOM 0 HA HIS A 550 -1.434 1.968 6.881 1.00 0.00 H new ATOM 0 HB2 HIS A 550 -0.622 0.496 8.839 1.00 0.00 H new ATOM 0 HB3 HIS A 550 0.973 1.110 8.450 1.00 0.00 H new ATOM 0 HD1 HIS A 550 0.387 2.305 11.143 1.00 0.00 H new ATOM 0 HD2 HIS A 550 -1.406 3.761 7.629 1.00 0.00 H new ATOM 0 HE1 HIS A 550 -0.474 4.654 11.654 1.00 0.00 H new ATOM 331 N TYR A 551 0.035 3.307 5.494 1.00 0.00 N ATOM 332 CA TYR A 551 0.880 4.155 4.670 1.00 0.00 C ATOM 333 C TYR A 551 0.790 5.616 5.115 1.00 0.00 C ATOM 334 O TYR A 551 -0.157 6.004 5.798 1.00 0.00 O ATOM 335 CB TYR A 551 0.336 4.035 3.245 1.00 0.00 C ATOM 336 CG TYR A 551 -1.136 3.623 3.173 1.00 0.00 C ATOM 337 CD1 TYR A 551 -2.107 4.435 3.723 1.00 0.00 C ATOM 338 CD2 TYR A 551 -1.492 2.439 2.559 1.00 0.00 C ATOM 339 CE1 TYR A 551 -3.493 4.047 3.655 1.00 0.00 C ATOM 340 CE2 TYR A 551 -2.878 2.052 2.492 1.00 0.00 C ATOM 341 CZ TYR A 551 -3.809 2.875 3.043 1.00 0.00 C ATOM 342 OH TYR A 551 -5.118 2.509 2.979 1.00 0.00 O ATOM 0 H TYR A 551 -0.932 3.621 5.579 1.00 0.00 H new ATOM 0 HA TYR A 551 1.923 3.848 4.747 1.00 0.00 H new ATOM 0 HB2 TYR A 551 0.460 4.992 2.738 1.00 0.00 H new ATOM 0 HB3 TYR A 551 0.934 3.305 2.699 1.00 0.00 H new ATOM 0 HD1 TYR A 551 -1.828 5.361 4.204 1.00 0.00 H new ATOM 0 HD2 TYR A 551 -0.732 1.803 2.129 1.00 0.00 H new ATOM 0 HE1 TYR A 551 -4.263 4.673 4.081 1.00 0.00 H new ATOM 0 HE2 TYR A 551 -3.171 1.129 2.015 1.00 0.00 H new ATOM 0 HH TYR A 551 -5.198 1.666 2.485 1.00 0.00 H new ATOM 352 N ARG A 552 1.788 6.387 4.710 1.00 0.00 N ATOM 353 CA ARG A 552 1.834 7.797 5.059 1.00 0.00 C ATOM 354 C ARG A 552 2.425 8.610 3.906 1.00 0.00 C ATOM 355 O ARG A 552 3.221 8.095 3.122 1.00 0.00 O ATOM 356 CB ARG A 552 2.673 8.026 6.318 1.00 0.00 C ATOM 357 CG ARG A 552 3.762 9.071 6.068 1.00 0.00 C ATOM 358 CD ARG A 552 4.492 9.424 7.366 1.00 0.00 C ATOM 359 NE ARG A 552 5.880 8.912 7.322 1.00 0.00 N ATOM 360 CZ ARG A 552 6.786 9.262 6.384 1.00 0.00 C ATOM 361 NH1 ARG A 552 6.457 10.130 5.404 1.00 0.00 N ATOM 362 NH2 ARG A 552 7.998 8.743 6.441 1.00 0.00 N ATOM 0 H ARG A 552 2.571 6.062 4.143 1.00 0.00 H new ATOM 0 HA ARG A 552 0.812 8.124 5.253 1.00 0.00 H new ATOM 0 HB2 ARG A 552 2.029 8.355 7.134 1.00 0.00 H new ATOM 0 HB3 ARG A 552 3.130 7.087 6.631 1.00 0.00 H new ATOM 0 HG2 ARG A 552 4.476 8.690 5.337 1.00 0.00 H new ATOM 0 HG3 ARG A 552 3.317 9.970 5.641 1.00 0.00 H new ATOM 0 HD2 ARG A 552 4.499 10.505 7.507 1.00 0.00 H new ATOM 0 HD3 ARG A 552 3.964 8.995 8.218 1.00 0.00 H new ATOM 0 HE ARG A 552 6.170 8.254 8.045 1.00 0.00 H new ATOM 0 HH11 ARG A 552 5.518 10.527 5.368 1.00 0.00 H new ATOM 0 HH12 ARG A 552 7.147 10.389 4.699 1.00 0.00 H new ATOM 0 HH21 ARG A 552 8.238 8.088 7.186 1.00 0.00 H new ATOM 0 HH22 ARG A 552 8.695 8.996 5.741 1.00 0.00 H new ATOM 375 N PRO A 553 2.001 9.901 3.836 1.00 0.00 N ATOM 376 CA PRO A 553 2.480 10.790 2.792 1.00 0.00 C ATOM 377 C PRO A 553 3.915 11.240 3.070 1.00 0.00 C ATOM 378 O PRO A 553 4.345 11.279 4.222 1.00 0.00 O ATOM 379 CB PRO A 553 1.489 11.943 2.772 1.00 0.00 C ATOM 380 CG PRO A 553 0.764 11.892 4.107 1.00 0.00 C ATOM 381 CD PRO A 553 1.059 10.545 4.747 1.00 0.00 C ATOM 0 HA PRO A 553 2.528 10.306 1.817 1.00 0.00 H new ATOM 0 HB2 PRO A 553 2.001 12.896 2.642 1.00 0.00 H new ATOM 0 HB3 PRO A 553 0.789 11.842 1.943 1.00 0.00 H new ATOM 0 HG2 PRO A 553 1.098 12.703 4.754 1.00 0.00 H new ATOM 0 HG3 PRO A 553 -0.309 12.020 3.964 1.00 0.00 H new ATOM 0 HD2 PRO A 553 1.489 10.665 5.742 1.00 0.00 H new ATOM 0 HD3 PRO A 553 0.151 9.953 4.861 1.00 0.00 H new ATOM 389 N ALA A 554 4.617 11.569 1.996 1.00 0.00 N ATOM 390 CA ALA A 554 5.996 12.015 2.110 1.00 0.00 C ATOM 391 C ALA A 554 6.163 12.813 3.404 1.00 0.00 C ATOM 392 O ALA A 554 6.810 12.351 4.343 1.00 0.00 O ATOM 393 CB ALA A 554 6.373 12.829 0.870 1.00 0.00 C ATOM 0 H ALA A 554 4.257 11.536 1.042 1.00 0.00 H new ATOM 0 HA ALA A 554 6.673 11.162 2.159 1.00 0.00 H new ATOM 0 HB1 ALA A 554 7.407 13.164 0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 554 6.264 12.208 -0.019 1.00 0.00 H new ATOM 0 HB3 ALA A 554 5.717 13.695 0.790 1.00 0.00 H new ATOM 399 N GLY A 555 5.570 13.998 3.413 1.00 0.00 N ATOM 400 CA GLY A 555 5.646 14.864 4.577 1.00 0.00 C ATOM 401 C GLY A 555 4.249 15.283 5.040 1.00 0.00 C ATOM 402 O GLY A 555 3.743 16.328 4.633 1.00 0.00 O ATOM 0 H GLY A 555 5.035 14.379 2.633 1.00 0.00 H new ATOM 0 HA2 GLY A 555 6.162 14.347 5.386 1.00 0.00 H new ATOM 0 HA3 GLY A 555 6.235 15.750 4.338 1.00 0.00 H new ATOM 406 N GLY A 556 3.666 14.446 5.886 1.00 0.00 N ATOM 407 CA GLY A 556 2.337 14.717 6.409 1.00 0.00 C ATOM 408 C GLY A 556 2.170 14.126 7.811 1.00 0.00 C ATOM 409 O GLY A 556 2.495 14.774 8.804 1.00 0.00 O ATOM 0 H GLY A 556 4.089 13.581 6.222 1.00 0.00 H new ATOM 0 HA2 GLY A 556 2.167 15.793 6.441 1.00 0.00 H new ATOM 0 HA3 GLY A 556 1.586 14.296 5.741 1.00 0.00 H new ATOM 413 N SER A 557 1.662 12.903 7.845 1.00 0.00 N ATOM 414 CA SER A 557 1.447 12.217 9.109 1.00 0.00 C ATOM 415 C SER A 557 1.090 10.751 8.854 1.00 0.00 C ATOM 416 O SER A 557 1.016 10.317 7.706 1.00 0.00 O ATOM 417 CB SER A 557 0.346 12.898 9.924 1.00 0.00 C ATOM 418 OG SER A 557 0.062 12.194 11.130 1.00 0.00 O ATOM 0 H SER A 557 1.393 12.369 7.019 1.00 0.00 H new ATOM 0 HA SER A 557 2.371 12.264 9.686 1.00 0.00 H new ATOM 0 HB2 SER A 557 0.649 13.918 10.162 1.00 0.00 H new ATOM 0 HB3 SER A 557 -0.560 12.967 9.322 1.00 0.00 H new ATOM 0 HG SER A 557 -0.645 12.661 11.623 1.00 0.00 H new ATOM 424 N TRP A 558 0.879 10.029 9.945 1.00 0.00 N ATOM 425 CA TRP A 558 0.532 8.621 9.855 1.00 0.00 C ATOM 426 C TRP A 558 -0.969 8.487 10.120 1.00 0.00 C ATOM 427 O TRP A 558 -1.468 8.959 11.141 1.00 0.00 O ATOM 428 CB TRP A 558 1.385 7.784 10.809 1.00 0.00 C ATOM 429 CG TRP A 558 2.733 7.356 10.226 1.00 0.00 C ATOM 430 CD1 TRP A 558 3.936 7.909 10.436 1.00 0.00 C ATOM 431 CD2 TRP A 558 2.969 6.255 9.323 1.00 0.00 C ATOM 432 NE1 TRP A 558 4.925 7.247 9.737 1.00 0.00 N ATOM 433 CE2 TRP A 558 4.318 6.210 9.039 1.00 0.00 C ATOM 434 CE3 TRP A 558 2.071 5.328 8.765 1.00 0.00 C ATOM 435 CZ2 TRP A 558 4.891 5.256 8.189 1.00 0.00 C ATOM 436 CZ3 TRP A 558 2.659 4.381 7.918 1.00 0.00 C ATOM 437 CH2 TRP A 558 4.016 4.323 7.621 1.00 0.00 C ATOM 0 H TRP A 558 0.942 10.393 10.896 1.00 0.00 H new ATOM 0 HA TRP A 558 0.746 8.234 8.859 1.00 0.00 H new ATOM 0 HB2 TRP A 558 1.560 8.356 11.720 1.00 0.00 H new ATOM 0 HB3 TRP A 558 0.825 6.893 11.094 1.00 0.00 H new ATOM 0 HD1 TRP A 558 4.109 8.765 11.072 1.00 0.00 H new ATOM 0 HE1 TRP A 558 5.919 7.477 9.733 1.00 0.00 H new ATOM 0 HE3 TRP A 558 1.011 5.345 8.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 558 5.951 5.241 7.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 558 2.013 3.644 7.464 1.00 0.00 H new ATOM 0 HH2 TRP A 558 4.393 3.561 6.955 1.00 0.00 H new ATOM 448 N THR A 559 -1.647 7.840 9.183 1.00 0.00 N ATOM 449 CA THR A 559 -3.081 7.637 9.303 1.00 0.00 C ATOM 450 C THR A 559 -3.402 6.829 10.562 1.00 0.00 C ATOM 451 O THR A 559 -2.497 6.371 11.258 1.00 0.00 O ATOM 452 CB THR A 559 -3.575 6.977 8.014 1.00 0.00 C ATOM 453 OG1 THR A 559 -3.134 7.856 6.983 1.00 0.00 O ATOM 454 CG2 THR A 559 -5.100 6.996 7.893 1.00 0.00 C ATOM 0 H THR A 559 -1.230 7.450 8.338 1.00 0.00 H new ATOM 0 HA THR A 559 -3.606 8.585 9.421 1.00 0.00 H new ATOM 0 HB THR A 559 -3.221 5.947 7.975 1.00 0.00 H new ATOM 0 HG1 THR A 559 -3.411 7.503 6.112 1.00 0.00 H new ATOM 0 HG21 THR A 559 -5.397 6.515 6.961 1.00 0.00 H new ATOM 0 HG22 THR A 559 -5.538 6.459 8.734 1.00 0.00 H new ATOM 0 HG23 THR A 559 -5.453 8.027 7.898 1.00 0.00 H new ATOM 462 N ALA A 560 -4.694 6.677 10.815 1.00 0.00 N ATOM 463 CA ALA A 560 -5.145 5.931 11.977 1.00 0.00 C ATOM 464 C ALA A 560 -4.772 4.457 11.809 1.00 0.00 C ATOM 465 O ALA A 560 -5.368 3.750 10.998 1.00 0.00 O ATOM 466 CB ALA A 560 -6.651 6.133 12.161 1.00 0.00 C ATOM 0 H ALA A 560 -5.442 7.058 10.235 1.00 0.00 H new ATOM 0 HA ALA A 560 -4.654 6.295 12.880 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -6.989 5.573 13.033 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -6.861 7.193 12.306 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -7.177 5.777 11.275 1.00 0.00 H new ATOM 472 N ALA A 561 -3.787 4.036 12.589 1.00 0.00 N ATOM 473 CA ALA A 561 -3.326 2.659 12.537 1.00 0.00 C ATOM 474 C ALA A 561 -4.376 1.750 13.180 1.00 0.00 C ATOM 475 O ALA A 561 -4.885 2.051 14.259 1.00 0.00 O ATOM 476 CB ALA A 561 -1.962 2.550 13.221 1.00 0.00 C ATOM 0 H ALA A 561 -3.295 4.625 13.261 1.00 0.00 H new ATOM 0 HA ALA A 561 -3.198 2.336 11.504 1.00 0.00 H new ATOM 0 HB1 ALA A 561 -1.617 1.517 13.182 1.00 0.00 H new ATOM 0 HB2 ALA A 561 -1.246 3.192 12.708 1.00 0.00 H new ATOM 0 HB3 ALA A 561 -2.050 2.864 14.261 1.00 0.00 H new ATOM 482 N PRO A 562 -4.676 0.628 12.473 1.00 0.00 N ATOM 483 CA PRO A 562 -4.027 0.348 11.203 1.00 0.00 C ATOM 484 C PRO A 562 -4.586 1.239 10.093 1.00 0.00 C ATOM 485 O PRO A 562 -5.770 1.573 10.097 1.00 0.00 O ATOM 486 CB PRO A 562 -4.269 -1.132 10.956 1.00 0.00 C ATOM 487 CG PRO A 562 -5.432 -1.520 11.855 1.00 0.00 C ATOM 488 CD PRO A 562 -5.637 -0.400 12.861 1.00 0.00 C ATOM 0 HA PRO A 562 -2.959 0.566 11.219 1.00 0.00 H new ATOM 0 HB2 PRO A 562 -4.506 -1.320 9.909 1.00 0.00 H new ATOM 0 HB3 PRO A 562 -3.381 -1.718 11.192 1.00 0.00 H new ATOM 0 HG2 PRO A 562 -6.336 -1.673 11.265 1.00 0.00 H new ATOM 0 HG3 PRO A 562 -5.222 -2.459 12.367 1.00 0.00 H new ATOM 0 HD2 PRO A 562 -6.658 -0.020 12.828 1.00 0.00 H new ATOM 0 HD3 PRO A 562 -5.458 -0.745 13.879 1.00 0.00 H new ATOM 496 N GLY A 563 -3.708 1.599 9.168 1.00 0.00 N ATOM 497 CA GLY A 563 -4.100 2.445 8.053 1.00 0.00 C ATOM 498 C GLY A 563 -5.508 2.094 7.567 1.00 0.00 C ATOM 499 O GLY A 563 -6.497 2.517 8.164 1.00 0.00 O ATOM 0 H GLY A 563 -2.727 1.320 9.168 1.00 0.00 H new ATOM 0 HA2 GLY A 563 -4.066 3.491 8.356 1.00 0.00 H new ATOM 0 HA3 GLY A 563 -3.389 2.327 7.235 1.00 0.00 H new ATOM 503 N VAL A 564 -5.553 1.326 6.489 1.00 0.00 N ATOM 504 CA VAL A 564 -6.823 0.914 5.916 1.00 0.00 C ATOM 505 C VAL A 564 -6.744 -0.562 5.519 1.00 0.00 C ATOM 506 O VAL A 564 -5.656 -1.094 5.310 1.00 0.00 O ATOM 507 CB VAL A 564 -7.191 1.829 4.746 1.00 0.00 C ATOM 508 CG1 VAL A 564 -8.707 1.894 4.556 1.00 0.00 C ATOM 509 CG2 VAL A 564 -6.602 3.228 4.938 1.00 0.00 C ATOM 0 H VAL A 564 -4.730 0.978 5.997 1.00 0.00 H new ATOM 0 HA VAL A 564 -7.622 1.011 6.651 1.00 0.00 H new ATOM 0 HB VAL A 564 -6.758 1.404 3.840 1.00 0.00 H new ATOM 0 HG11 VAL A 564 -8.941 2.551 3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 564 -9.091 0.895 4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 564 -9.171 2.283 5.462 1.00 0.00 H new ATOM 0 HG21 VAL A 564 -6.878 3.858 4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 564 -6.992 3.664 5.858 1.00 0.00 H new ATOM 0 HG23 VAL A 564 -5.516 3.160 5.000 1.00 0.00 H new ATOM 519 N LYS A 565 -7.912 -1.180 5.428 1.00 0.00 N ATOM 520 CA LYS A 565 -7.989 -2.584 5.060 1.00 0.00 C ATOM 521 C LYS A 565 -8.033 -2.705 3.536 1.00 0.00 C ATOM 522 O LYS A 565 -9.043 -2.380 2.912 1.00 0.00 O ATOM 523 CB LYS A 565 -9.168 -3.259 5.765 1.00 0.00 C ATOM 524 CG LYS A 565 -9.636 -4.493 4.991 1.00 0.00 C ATOM 525 CD LYS A 565 -8.537 -5.555 4.937 1.00 0.00 C ATOM 526 CE LYS A 565 -9.089 -6.890 4.433 1.00 0.00 C ATOM 527 NZ LYS A 565 -10.417 -7.160 5.029 1.00 0.00 N ATOM 0 H LYS A 565 -8.813 -0.735 5.603 1.00 0.00 H new ATOM 0 HA LYS A 565 -7.099 -3.116 5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -8.876 -3.548 6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -9.992 -2.552 5.862 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -10.525 -4.908 5.465 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -9.919 -4.206 3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -7.733 -5.219 4.282 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -8.105 -5.687 5.929 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -9.169 -6.870 3.346 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -8.399 -7.695 4.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -10.627 -8.176 4.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -10.414 -6.871 6.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -11.144 -6.622 4.515 1.00 0.00 H new ATOM 540 N MET A 566 -6.926 -3.174 2.979 1.00 0.00 N ATOM 541 CA MET A 566 -6.826 -3.342 1.540 1.00 0.00 C ATOM 542 C MET A 566 -8.184 -3.697 0.933 1.00 0.00 C ATOM 543 O MET A 566 -8.862 -4.608 1.408 1.00 0.00 O ATOM 544 CB MET A 566 -5.820 -4.451 1.224 1.00 0.00 C ATOM 545 CG MET A 566 -4.390 -3.994 1.518 1.00 0.00 C ATOM 546 SD MET A 566 -3.293 -4.550 0.224 1.00 0.00 S ATOM 547 CE MET A 566 -2.554 -2.994 -0.245 1.00 0.00 C ATOM 0 H MET A 566 -6.091 -3.443 3.499 1.00 0.00 H new ATOM 0 HA MET A 566 -6.491 -2.400 1.106 1.00 0.00 H new ATOM 0 HB2 MET A 566 -6.052 -5.336 1.816 1.00 0.00 H new ATOM 0 HB3 MET A 566 -5.906 -4.737 0.176 1.00 0.00 H new ATOM 0 HG2 MET A 566 -4.355 -2.907 1.594 1.00 0.00 H new ATOM 0 HG3 MET A 566 -4.063 -4.391 2.479 1.00 0.00 H new ATOM 0 HE1 MET A 566 -2.765 -2.793 -1.295 1.00 0.00 H new ATOM 0 HE2 MET A 566 -2.970 -2.194 0.368 1.00 0.00 H new ATOM 0 HE3 MET A 566 -1.476 -3.043 -0.095 1.00 0.00 H new ATOM 557 N GLN A 567 -8.543 -2.960 -0.108 1.00 0.00 N ATOM 558 CA GLN A 567 -9.809 -3.185 -0.785 1.00 0.00 C ATOM 559 C GLN A 567 -9.597 -4.040 -2.036 1.00 0.00 C ATOM 560 O GLN A 567 -8.738 -3.735 -2.862 1.00 0.00 O ATOM 561 CB GLN A 567 -10.487 -1.860 -1.135 1.00 0.00 C ATOM 562 CG GLN A 567 -11.750 -2.093 -1.966 1.00 0.00 C ATOM 563 CD GLN A 567 -12.814 -1.038 -1.655 1.00 0.00 C ATOM 564 OE1 GLN A 567 -12.628 0.149 -1.865 1.00 0.00 O ATOM 565 NE2 GLN A 567 -13.936 -1.536 -1.143 1.00 0.00 N ATOM 0 H GLN A 567 -7.979 -2.206 -0.499 1.00 0.00 H new ATOM 0 HA GLN A 567 -10.470 -3.725 -0.107 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -10.743 -1.326 -0.220 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -9.794 -1.228 -1.690 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -11.502 -2.063 -3.027 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -12.147 -3.087 -1.760 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -14.026 -2.541 -0.993 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -14.706 -0.913 -0.901 1.00 0.00 H new ATOM 574 N ASP A 568 -10.394 -5.094 -2.136 1.00 0.00 N ATOM 575 CA ASP A 568 -10.305 -5.994 -3.273 1.00 0.00 C ATOM 576 C ASP A 568 -10.231 -5.175 -4.563 1.00 0.00 C ATOM 577 O ASP A 568 -10.830 -4.105 -4.658 1.00 0.00 O ATOM 578 CB ASP A 568 -11.536 -6.899 -3.357 1.00 0.00 C ATOM 579 CG ASP A 568 -11.247 -8.396 -3.238 1.00 0.00 C ATOM 580 OD1 ASP A 568 -10.518 -8.837 -2.337 1.00 0.00 O ATOM 581 OD2 ASP A 568 -11.814 -9.134 -4.132 1.00 0.00 O ATOM 0 H ASP A 568 -11.104 -5.345 -1.448 1.00 0.00 H new ATOM 0 HA ASP A 568 -9.414 -6.608 -3.147 1.00 0.00 H new ATOM 0 HB2 ASP A 568 -12.232 -6.615 -2.568 1.00 0.00 H new ATOM 0 HB3 ASP A 568 -12.039 -6.716 -4.306 1.00 0.00 H new ATOM 587 N ALA A 569 -9.490 -5.708 -5.523 1.00 0.00 N ATOM 588 CA ALA A 569 -9.330 -5.040 -6.803 1.00 0.00 C ATOM 589 C ALA A 569 -10.469 -5.456 -7.737 1.00 0.00 C ATOM 590 O ALA A 569 -11.583 -5.715 -7.285 1.00 0.00 O ATOM 591 CB ALA A 569 -7.952 -5.368 -7.382 1.00 0.00 C ATOM 0 H ALA A 569 -8.994 -6.595 -5.440 1.00 0.00 H new ATOM 0 HA ALA A 569 -9.383 -3.958 -6.680 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -7.832 -4.867 -8.342 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -7.178 -5.026 -6.695 1.00 0.00 H new ATOM 0 HB3 ALA A 569 -7.863 -6.445 -7.522 1.00 0.00 H new ATOM 597 N GLU A 570 -10.150 -5.506 -9.022 1.00 0.00 N ATOM 598 CA GLU A 570 -11.132 -5.886 -10.023 1.00 0.00 C ATOM 599 C GLU A 570 -10.637 -7.095 -10.820 1.00 0.00 C ATOM 600 O GLU A 570 -10.933 -7.223 -12.007 1.00 0.00 O ATOM 601 CB GLU A 570 -11.452 -4.712 -10.950 1.00 0.00 C ATOM 602 CG GLU A 570 -12.502 -5.106 -11.991 1.00 0.00 C ATOM 603 CD GLU A 570 -13.669 -4.115 -11.995 1.00 0.00 C ATOM 604 OE1 GLU A 570 -14.017 -3.563 -10.941 1.00 0.00 O ATOM 605 OE2 GLU A 570 -14.219 -3.926 -13.146 1.00 0.00 O ATOM 0 H GLU A 570 -9.225 -5.290 -9.393 1.00 0.00 H new ATOM 0 HA GLU A 570 -12.054 -6.165 -9.512 1.00 0.00 H new ATOM 0 HB2 GLU A 570 -11.816 -3.869 -10.363 1.00 0.00 H new ATOM 0 HB3 GLU A 570 -10.543 -4.382 -11.452 1.00 0.00 H new ATOM 0 HG2 GLU A 570 -12.045 -5.139 -12.980 1.00 0.00 H new ATOM 0 HG3 GLU A 570 -12.872 -6.109 -11.778 1.00 0.00 H new ATOM 613 N ILE A 571 -9.893 -7.951 -10.135 1.00 0.00 N ATOM 614 CA ILE A 571 -9.355 -9.145 -10.764 1.00 0.00 C ATOM 615 C ILE A 571 -10.082 -10.375 -10.219 1.00 0.00 C ATOM 616 O ILE A 571 -10.962 -10.925 -10.880 1.00 0.00 O ATOM 617 CB ILE A 571 -7.836 -9.202 -10.593 1.00 0.00 C ATOM 618 CG1 ILE A 571 -7.190 -7.869 -10.978 1.00 0.00 C ATOM 619 CG2 ILE A 571 -7.239 -10.374 -11.375 1.00 0.00 C ATOM 620 CD1 ILE A 571 -6.059 -7.509 -10.012 1.00 0.00 C ATOM 0 H ILE A 571 -9.650 -7.841 -9.150 1.00 0.00 H new ATOM 0 HA ILE A 571 -9.531 -9.121 -11.839 1.00 0.00 H new ATOM 0 HB ILE A 571 -7.618 -9.374 -9.539 1.00 0.00 H new ATOM 0 HG12 ILE A 571 -6.800 -7.930 -11.994 1.00 0.00 H new ATOM 0 HG13 ILE A 571 -7.943 -7.081 -10.972 1.00 0.00 H new ATOM 0 HG21 ILE A 571 -6.158 -10.391 -11.236 1.00 0.00 H new ATOM 0 HG22 ILE A 571 -7.666 -11.309 -11.012 1.00 0.00 H new ATOM 0 HG23 ILE A 571 -7.467 -10.258 -12.435 1.00 0.00 H new ATOM 0 HD11 ILE A 571 -5.617 -6.558 -10.308 1.00 0.00 H new ATOM 0 HD12 ILE A 571 -6.457 -7.425 -9.001 1.00 0.00 H new ATOM 0 HD13 ILE A 571 -5.296 -8.287 -10.038 1.00 0.00 H new ATOM 632 N SER A 572 -9.687 -10.772 -9.018 1.00 0.00 N ATOM 633 CA SER A 572 -10.290 -11.928 -8.376 1.00 0.00 C ATOM 634 C SER A 572 -9.365 -12.460 -7.280 1.00 0.00 C ATOM 635 O SER A 572 -8.419 -13.193 -7.563 1.00 0.00 O ATOM 636 CB SER A 572 -10.593 -13.029 -9.395 1.00 0.00 C ATOM 637 OG SER A 572 -11.977 -13.080 -9.731 1.00 0.00 O ATOM 0 H SER A 572 -8.957 -10.314 -8.473 1.00 0.00 H new ATOM 0 HA SER A 572 -11.233 -11.616 -7.927 1.00 0.00 H new ATOM 0 HB2 SER A 572 -10.007 -12.858 -10.298 1.00 0.00 H new ATOM 0 HB3 SER A 572 -10.282 -13.992 -8.991 1.00 0.00 H new ATOM 0 HG SER A 572 -12.205 -12.312 -10.296 1.00 0.00 H new ATOM 643 N GLY A 573 -9.671 -12.070 -6.051 1.00 0.00 N ATOM 644 CA GLY A 573 -8.879 -12.498 -4.911 1.00 0.00 C ATOM 645 C GLY A 573 -7.692 -11.559 -4.684 1.00 0.00 C ATOM 646 O GLY A 573 -6.829 -11.834 -3.853 1.00 0.00 O ATOM 0 H GLY A 573 -10.457 -11.462 -5.820 1.00 0.00 H new ATOM 0 HA2 GLY A 573 -9.504 -12.522 -4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 573 -8.518 -13.513 -5.075 1.00 0.00 H new ATOM 650 N TYR A 574 -7.688 -10.470 -5.438 1.00 0.00 N ATOM 651 CA TYR A 574 -6.622 -9.489 -5.330 1.00 0.00 C ATOM 652 C TYR A 574 -7.090 -8.253 -4.557 1.00 0.00 C ATOM 653 O TYR A 574 -8.289 -8.011 -4.435 1.00 0.00 O ATOM 654 CB TYR A 574 -6.279 -9.079 -6.763 1.00 0.00 C ATOM 655 CG TYR A 574 -4.871 -9.483 -7.206 1.00 0.00 C ATOM 656 CD1 TYR A 574 -4.620 -10.779 -7.609 1.00 0.00 C ATOM 657 CD2 TYR A 574 -3.852 -8.552 -7.201 1.00 0.00 C ATOM 658 CE1 TYR A 574 -3.295 -11.159 -8.025 1.00 0.00 C ATOM 659 CE2 TYR A 574 -2.527 -8.932 -7.618 1.00 0.00 C ATOM 660 CZ TYR A 574 -2.314 -10.217 -8.009 1.00 0.00 C ATOM 661 OH TYR A 574 -1.062 -10.577 -8.402 1.00 0.00 O ATOM 0 H TYR A 574 -8.406 -10.245 -6.126 1.00 0.00 H new ATOM 0 HA TYR A 574 -5.767 -9.908 -4.799 1.00 0.00 H new ATOM 0 HB2 TYR A 574 -7.005 -9.527 -7.442 1.00 0.00 H new ATOM 0 HB3 TYR A 574 -6.381 -7.998 -6.855 1.00 0.00 H new ATOM 0 HD1 TYR A 574 -5.417 -11.508 -7.612 1.00 0.00 H new ATOM 0 HD2 TYR A 574 -4.048 -7.538 -6.884 1.00 0.00 H new ATOM 0 HE1 TYR A 574 -3.085 -12.170 -8.343 1.00 0.00 H new ATOM 0 HE2 TYR A 574 -1.721 -8.213 -7.620 1.00 0.00 H new ATOM 0 HH TYR A 574 -0.464 -9.803 -8.340 1.00 0.00 H new ATOM 671 N ALA A 575 -6.118 -7.506 -4.055 1.00 0.00 N ATOM 672 CA ALA A 575 -6.415 -6.302 -3.298 1.00 0.00 C ATOM 673 C ALA A 575 -5.863 -5.086 -4.045 1.00 0.00 C ATOM 674 O ALA A 575 -4.907 -5.204 -4.810 1.00 0.00 O ATOM 675 CB ALA A 575 -5.838 -6.431 -1.887 1.00 0.00 C ATOM 0 H ALA A 575 -5.124 -7.711 -4.158 1.00 0.00 H new ATOM 0 HA ALA A 575 -7.492 -6.167 -3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 575 -6.061 -5.528 -1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 575 -6.284 -7.292 -1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 575 -4.758 -6.565 -1.946 1.00 0.00 H new ATOM 681 N LYS A 576 -6.489 -3.944 -3.796 1.00 0.00 N ATOM 682 CA LYS A 576 -6.072 -2.708 -4.435 1.00 0.00 C ATOM 683 C LYS A 576 -6.512 -1.521 -3.575 1.00 0.00 C ATOM 684 O LYS A 576 -7.657 -1.463 -3.131 1.00 0.00 O ATOM 685 CB LYS A 576 -6.587 -2.649 -5.875 1.00 0.00 C ATOM 686 CG LYS A 576 -7.958 -1.973 -5.939 1.00 0.00 C ATOM 687 CD LYS A 576 -8.415 -1.798 -7.389 1.00 0.00 C ATOM 688 CE LYS A 576 -8.302 -0.337 -7.827 1.00 0.00 C ATOM 689 NZ LYS A 576 -9.622 0.183 -8.245 1.00 0.00 N ATOM 0 H LYS A 576 -7.281 -3.850 -3.161 1.00 0.00 H new ATOM 0 HA LYS A 576 -4.985 -2.664 -4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 576 -5.878 -2.102 -6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 576 -6.655 -3.658 -6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 576 -8.688 -2.571 -5.393 1.00 0.00 H new ATOM 0 HG3 LYS A 576 -7.911 -1.001 -5.449 1.00 0.00 H new ATOM 0 HD2 LYS A 576 -7.809 -2.425 -8.043 1.00 0.00 H new ATOM 0 HD3 LYS A 576 -9.447 -2.133 -7.492 1.00 0.00 H new ATOM 0 HE2 LYS A 576 -7.911 0.265 -7.007 1.00 0.00 H new ATOM 0 HE3 LYS A 576 -7.594 -0.252 -8.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 576 -9.527 1.176 -8.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 576 -9.981 -0.381 -9.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 576 -10.288 0.120 -7.449 1.00 0.00 H new ATOM 702 N ILE A 577 -5.578 -0.605 -3.366 1.00 0.00 N ATOM 703 CA ILE A 577 -5.855 0.577 -2.568 1.00 0.00 C ATOM 704 C ILE A 577 -5.304 1.812 -3.284 1.00 0.00 C ATOM 705 O ILE A 577 -4.291 1.732 -3.976 1.00 0.00 O ATOM 706 CB ILE A 577 -5.319 0.401 -1.146 1.00 0.00 C ATOM 707 CG1 ILE A 577 -4.163 1.364 -0.872 1.00 0.00 C ATOM 708 CG2 ILE A 577 -4.927 -1.055 -0.884 1.00 0.00 C ATOM 709 CD1 ILE A 577 -3.016 1.139 -1.859 1.00 0.00 C ATOM 0 H ILE A 577 -4.629 -0.658 -3.735 1.00 0.00 H new ATOM 0 HA ILE A 577 -6.930 0.722 -2.463 1.00 0.00 H new ATOM 0 HB ILE A 577 -6.117 0.650 -0.447 1.00 0.00 H new ATOM 0 HG12 ILE A 577 -4.516 2.392 -0.948 1.00 0.00 H new ATOM 0 HG13 ILE A 577 -3.803 1.225 0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 577 -4.549 -1.153 0.134 1.00 0.00 H new ATOM 0 HG22 ILE A 577 -5.800 -1.695 -1.010 1.00 0.00 H new ATOM 0 HG23 ILE A 577 -4.152 -1.356 -1.589 1.00 0.00 H new ATOM 0 HD11 ILE A 577 -2.207 1.837 -1.642 1.00 0.00 H new ATOM 0 HD12 ILE A 577 -2.649 0.117 -1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 577 -3.373 1.303 -2.876 1.00 0.00 H new ATOM 721 N THR A 578 -5.996 2.926 -3.092 1.00 0.00 N ATOM 722 CA THR A 578 -5.589 4.175 -3.711 1.00 0.00 C ATOM 723 C THR A 578 -5.360 5.249 -2.645 1.00 0.00 C ATOM 724 O THR A 578 -6.143 5.371 -1.704 1.00 0.00 O ATOM 725 CB THR A 578 -6.651 4.561 -4.743 1.00 0.00 C ATOM 726 OG1 THR A 578 -6.682 3.453 -5.639 1.00 0.00 O ATOM 727 CG2 THR A 578 -6.216 5.737 -5.619 1.00 0.00 C ATOM 0 H THR A 578 -6.836 2.989 -2.516 1.00 0.00 H new ATOM 0 HA THR A 578 -4.636 4.066 -4.229 1.00 0.00 H new ATOM 0 HB THR A 578 -7.580 4.814 -4.231 1.00 0.00 H new ATOM 0 HG1 THR A 578 -7.346 3.618 -6.341 1.00 0.00 H new ATOM 0 HG21 THR A 578 -7.005 5.970 -6.334 1.00 0.00 H new ATOM 0 HG22 THR A 578 -6.026 6.608 -4.991 1.00 0.00 H new ATOM 0 HG23 THR A 578 -5.306 5.473 -6.157 1.00 0.00 H new ATOM 735 N VAL A 579 -4.284 5.999 -2.828 1.00 0.00 N ATOM 736 CA VAL A 579 -3.942 7.058 -1.893 1.00 0.00 C ATOM 737 C VAL A 579 -3.660 8.346 -2.669 1.00 0.00 C ATOM 738 O VAL A 579 -2.914 8.335 -3.647 1.00 0.00 O ATOM 739 CB VAL A 579 -2.769 6.621 -1.014 1.00 0.00 C ATOM 740 CG1 VAL A 579 -1.431 6.964 -1.674 1.00 0.00 C ATOM 741 CG2 VAL A 579 -2.867 7.244 0.380 1.00 0.00 C ATOM 0 H VAL A 579 -3.637 5.895 -3.610 1.00 0.00 H new ATOM 0 HA VAL A 579 -4.777 7.259 -1.222 1.00 0.00 H new ATOM 0 HB VAL A 579 -2.820 5.538 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 579 -0.614 6.643 -1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 579 -1.357 6.453 -2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 579 -1.368 8.041 -1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 579 -2.021 6.917 0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 579 -2.854 8.331 0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 579 -3.796 6.929 0.855 1.00 0.00 H new ATOM 751 N ASP A 580 -4.272 9.425 -2.205 1.00 0.00 N ATOM 752 CA ASP A 580 -4.097 10.719 -2.843 1.00 0.00 C ATOM 753 C ASP A 580 -2.800 11.358 -2.342 1.00 0.00 C ATOM 754 O ASP A 580 -2.375 11.107 -1.215 1.00 0.00 O ATOM 755 CB ASP A 580 -5.252 11.662 -2.503 1.00 0.00 C ATOM 756 CG ASP A 580 -5.075 13.103 -2.988 1.00 0.00 C ATOM 757 OD1 ASP A 580 -4.077 13.766 -2.669 1.00 0.00 O ATOM 758 OD2 ASP A 580 -6.028 13.548 -3.734 1.00 0.00 O ATOM 0 H ASP A 580 -4.890 9.430 -1.394 1.00 0.00 H new ATOM 0 HA ASP A 580 -4.066 10.562 -3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 580 -6.169 11.260 -2.934 1.00 0.00 H new ATOM 0 HB3 ASP A 580 -5.386 11.673 -1.421 1.00 0.00 H new ATOM 764 N ILE A 581 -2.208 12.172 -3.204 1.00 0.00 N ATOM 765 CA ILE A 581 -0.968 12.849 -2.862 1.00 0.00 C ATOM 766 C ILE A 581 -0.847 14.129 -3.692 1.00 0.00 C ATOM 767 O ILE A 581 0.119 14.304 -4.433 1.00 0.00 O ATOM 768 CB ILE A 581 0.221 11.900 -3.018 1.00 0.00 C ATOM 769 CG1 ILE A 581 0.391 11.468 -4.476 1.00 0.00 C ATOM 770 CG2 ILE A 581 0.094 10.701 -2.076 1.00 0.00 C ATOM 771 CD1 ILE A 581 1.627 10.582 -4.646 1.00 0.00 C ATOM 0 H ILE A 581 -2.563 12.378 -4.138 1.00 0.00 H new ATOM 0 HA ILE A 581 -0.972 13.147 -1.813 1.00 0.00 H new ATOM 0 HB ILE A 581 1.126 12.438 -2.734 1.00 0.00 H new ATOM 0 HG12 ILE A 581 -0.496 10.927 -4.804 1.00 0.00 H new ATOM 0 HG13 ILE A 581 0.481 12.349 -5.112 1.00 0.00 H new ATOM 0 HG21 ILE A 581 0.952 10.042 -2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 581 0.060 11.051 -1.044 1.00 0.00 H new ATOM 0 HG23 ILE A 581 -0.821 10.154 -2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 581 1.724 10.289 -5.692 1.00 0.00 H new ATOM 0 HD12 ILE A 581 2.515 11.134 -4.340 1.00 0.00 H new ATOM 0 HD13 ILE A 581 1.523 9.690 -4.028 1.00 0.00 H new ATOM 783 N GLY A 582 -1.841 14.992 -3.539 1.00 0.00 N ATOM 784 CA GLY A 582 -1.857 16.251 -4.264 1.00 0.00 C ATOM 785 C GLY A 582 -0.435 16.754 -4.522 1.00 0.00 C ATOM 786 O GLY A 582 0.092 16.599 -5.622 1.00 0.00 O ATOM 0 H GLY A 582 -2.641 14.844 -2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 582 -2.378 16.122 -5.212 1.00 0.00 H new ATOM 0 HA3 GLY A 582 -2.412 16.996 -3.694 1.00 0.00 H new ATOM 790 N SER A 583 0.145 17.346 -3.488 1.00 0.00 N ATOM 791 CA SER A 583 1.495 17.873 -3.589 1.00 0.00 C ATOM 792 C SER A 583 2.512 16.750 -3.376 1.00 0.00 C ATOM 793 O SER A 583 3.595 16.770 -3.958 1.00 0.00 O ATOM 794 CB SER A 583 1.725 18.997 -2.576 1.00 0.00 C ATOM 795 OG SER A 583 0.527 19.715 -2.295 1.00 0.00 O ATOM 0 H SER A 583 -0.295 17.472 -2.577 1.00 0.00 H new ATOM 0 HA SER A 583 1.626 18.289 -4.588 1.00 0.00 H new ATOM 0 HB2 SER A 583 2.121 18.577 -1.652 1.00 0.00 H new ATOM 0 HB3 SER A 583 2.478 19.684 -2.962 1.00 0.00 H new ATOM 0 HG SER A 583 0.715 20.422 -1.643 1.00 0.00 H new ATOM 801 N ALA A 584 2.127 15.798 -2.539 1.00 0.00 N ATOM 802 CA ALA A 584 2.992 14.669 -2.241 1.00 0.00 C ATOM 803 C ALA A 584 3.292 13.907 -3.534 1.00 0.00 C ATOM 804 O ALA A 584 2.386 13.622 -4.316 1.00 0.00 O ATOM 805 CB ALA A 584 2.331 13.783 -1.183 1.00 0.00 C ATOM 0 H ALA A 584 1.228 15.785 -2.058 1.00 0.00 H new ATOM 0 HA ALA A 584 3.942 15.012 -1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 584 2.980 12.936 -0.960 1.00 0.00 H new ATOM 0 HB2 ALA A 584 2.166 14.363 -0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 584 1.375 13.418 -1.559 1.00 0.00 H new ATOM 811 N SER A 585 4.567 13.599 -3.720 1.00 0.00 N ATOM 812 CA SER A 585 4.998 12.876 -4.904 1.00 0.00 C ATOM 813 C SER A 585 5.453 11.466 -4.520 1.00 0.00 C ATOM 814 O SER A 585 5.711 10.635 -5.390 1.00 0.00 O ATOM 815 CB SER A 585 6.124 13.619 -5.624 1.00 0.00 C ATOM 816 OG SER A 585 5.723 14.079 -6.912 1.00 0.00 O ATOM 0 H SER A 585 5.316 13.837 -3.070 1.00 0.00 H new ATOM 0 HA SER A 585 4.152 12.804 -5.587 1.00 0.00 H new ATOM 0 HB2 SER A 585 6.443 14.468 -5.019 1.00 0.00 H new ATOM 0 HB3 SER A 585 6.986 12.959 -5.727 1.00 0.00 H new ATOM 0 HG SER A 585 6.469 14.550 -7.338 1.00 0.00 H new ATOM 822 N GLN A 586 5.536 11.240 -3.218 1.00 0.00 N ATOM 823 CA GLN A 586 5.956 9.946 -2.708 1.00 0.00 C ATOM 824 C GLN A 586 5.156 9.584 -1.455 1.00 0.00 C ATOM 825 O GLN A 586 4.929 10.432 -0.593 1.00 0.00 O ATOM 826 CB GLN A 586 7.459 9.929 -2.424 1.00 0.00 C ATOM 827 CG GLN A 586 8.259 9.726 -3.712 1.00 0.00 C ATOM 828 CD GLN A 586 9.220 10.891 -3.950 1.00 0.00 C ATOM 829 OE1 GLN A 586 8.843 11.958 -4.408 1.00 0.00 O ATOM 830 NE2 GLN A 586 10.481 10.630 -3.615 1.00 0.00 N ATOM 0 H GLN A 586 5.319 11.931 -2.500 1.00 0.00 H new ATOM 0 HA GLN A 586 5.757 9.195 -3.472 1.00 0.00 H new ATOM 0 HB2 GLN A 586 7.754 10.866 -1.953 1.00 0.00 H new ATOM 0 HB3 GLN A 586 7.690 9.131 -1.719 1.00 0.00 H new ATOM 0 HG2 GLN A 586 8.820 8.793 -3.652 1.00 0.00 H new ATOM 0 HG3 GLN A 586 7.577 9.634 -4.557 1.00 0.00 H new ATOM 0 HE21 GLN A 586 10.729 9.716 -3.237 1.00 0.00 H new ATOM 0 HE22 GLN A 586 11.199 11.344 -3.736 1.00 0.00 H new ATOM 839 N LEU A 587 4.752 8.324 -1.392 1.00 0.00 N ATOM 840 CA LEU A 587 3.983 7.840 -0.258 1.00 0.00 C ATOM 841 C LEU A 587 4.499 6.460 0.151 1.00 0.00 C ATOM 842 O LEU A 587 4.677 5.584 -0.694 1.00 0.00 O ATOM 843 CB LEU A 587 2.486 7.867 -0.575 1.00 0.00 C ATOM 844 CG LEU A 587 1.546 7.940 0.630 1.00 0.00 C ATOM 845 CD1 LEU A 587 0.214 8.590 0.248 1.00 0.00 C ATOM 846 CD2 LEU A 587 1.352 6.559 1.258 1.00 0.00 C ATOM 0 H LEU A 587 4.943 7.623 -2.108 1.00 0.00 H new ATOM 0 HA LEU A 587 4.116 8.498 0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 587 2.287 8.724 -1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 587 2.240 6.973 -1.149 1.00 0.00 H new ATOM 0 HG LEU A 587 2.008 8.575 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 587 -0.436 8.630 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 587 0.394 9.601 -0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 587 -0.266 8.003 -0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 587 0.680 6.639 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 587 0.923 5.881 0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 587 2.315 6.171 1.589 1.00 0.00 H new ATOM 858 N GLU A 588 4.726 6.308 1.448 1.00 0.00 N ATOM 859 CA GLU A 588 5.219 5.049 1.979 1.00 0.00 C ATOM 860 C GLU A 588 4.059 4.213 2.525 1.00 0.00 C ATOM 861 O GLU A 588 3.119 4.753 3.105 1.00 0.00 O ATOM 862 CB GLU A 588 6.278 5.286 3.057 1.00 0.00 C ATOM 863 CG GLU A 588 5.687 6.040 4.250 1.00 0.00 C ATOM 864 CD GLU A 588 6.321 5.573 5.563 1.00 0.00 C ATOM 865 OE1 GLU A 588 6.145 4.410 5.956 1.00 0.00 O ATOM 866 OE2 GLU A 588 7.018 6.465 6.180 1.00 0.00 O ATOM 0 H GLU A 588 4.577 7.036 2.146 1.00 0.00 H new ATOM 0 HA GLU A 588 5.691 4.495 1.168 1.00 0.00 H new ATOM 0 HB2 GLU A 588 6.683 4.330 3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 588 7.108 5.855 2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 588 5.849 7.111 4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 588 4.609 5.883 4.286 1.00 0.00 H new ATOM 874 N ALA A 589 4.165 2.908 2.319 1.00 0.00 N ATOM 875 CA ALA A 589 3.136 1.993 2.783 1.00 0.00 C ATOM 876 C ALA A 589 3.798 0.786 3.452 1.00 0.00 C ATOM 877 O ALA A 589 4.870 0.351 3.034 1.00 0.00 O ATOM 878 CB ALA A 589 2.243 1.590 1.608 1.00 0.00 C ATOM 0 H ALA A 589 4.947 2.463 1.838 1.00 0.00 H new ATOM 0 HA ALA A 589 2.500 2.475 3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 589 1.471 0.904 1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 589 1.774 2.479 1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 589 2.846 1.100 0.844 1.00 0.00 H new ATOM 884 N ALA A 590 3.132 0.280 4.480 1.00 0.00 N ATOM 885 CA ALA A 590 3.642 -0.867 5.210 1.00 0.00 C ATOM 886 C ALA A 590 2.569 -1.957 5.254 1.00 0.00 C ATOM 887 O ALA A 590 1.391 -1.683 5.030 1.00 0.00 O ATOM 888 CB ALA A 590 4.084 -0.428 6.608 1.00 0.00 C ATOM 0 H ALA A 590 2.243 0.644 4.824 1.00 0.00 H new ATOM 0 HA ALA A 590 4.515 -1.284 4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 590 4.467 -1.289 7.156 1.00 0.00 H new ATOM 0 HB2 ALA A 590 4.867 0.325 6.522 1.00 0.00 H new ATOM 0 HB3 ALA A 590 3.233 -0.007 7.143 1.00 0.00 H new ATOM 894 N PHE A 591 3.015 -3.171 5.544 1.00 0.00 N ATOM 895 CA PHE A 591 2.108 -4.303 5.620 1.00 0.00 C ATOM 896 C PHE A 591 2.130 -4.932 7.014 1.00 0.00 C ATOM 897 O PHE A 591 3.197 -5.246 7.540 1.00 0.00 O ATOM 898 CB PHE A 591 2.594 -5.335 4.600 1.00 0.00 C ATOM 899 CG PHE A 591 1.708 -5.448 3.358 1.00 0.00 C ATOM 900 CD1 PHE A 591 1.748 -4.480 2.403 1.00 0.00 C ATOM 901 CD2 PHE A 591 0.879 -6.516 3.209 1.00 0.00 C ATOM 902 CE1 PHE A 591 0.926 -4.586 1.250 1.00 0.00 C ATOM 903 CE2 PHE A 591 0.057 -6.621 2.056 1.00 0.00 C ATOM 904 CZ PHE A 591 0.097 -5.654 1.101 1.00 0.00 C ATOM 0 H PHE A 591 3.993 -3.395 5.729 1.00 0.00 H new ATOM 0 HA PHE A 591 1.089 -3.976 5.415 1.00 0.00 H new ATOM 0 HB2 PHE A 591 3.606 -5.075 4.289 1.00 0.00 H new ATOM 0 HB3 PHE A 591 2.650 -6.310 5.084 1.00 0.00 H new ATOM 0 HD1 PHE A 591 2.405 -3.631 2.522 1.00 0.00 H new ATOM 0 HD2 PHE A 591 0.846 -7.284 3.968 1.00 0.00 H new ATOM 0 HE1 PHE A 591 0.959 -3.818 0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 591 -0.600 -7.470 1.937 1.00 0.00 H new ATOM 0 HZ PHE A 591 -0.529 -5.734 0.225 1.00 0.00 H new ATOM 914 N ASN A 592 0.941 -5.097 7.574 1.00 0.00 N ATOM 915 CA ASN A 592 0.811 -5.682 8.897 1.00 0.00 C ATOM 916 C ASN A 592 -0.461 -6.531 8.952 1.00 0.00 C ATOM 917 O ASN A 592 -1.513 -6.111 8.471 1.00 0.00 O ATOM 918 CB ASN A 592 0.702 -4.598 9.971 1.00 0.00 C ATOM 919 CG ASN A 592 -0.471 -3.659 9.685 1.00 0.00 C ATOM 920 OD1 ASN A 592 -0.397 -2.763 8.861 1.00 0.00 O ATOM 921 ND2 ASN A 592 -1.556 -3.913 10.411 1.00 0.00 N ATOM 0 H ASN A 592 0.058 -4.835 7.135 1.00 0.00 H new ATOM 0 HA ASN A 592 1.697 -6.288 9.085 1.00 0.00 H new ATOM 0 HB2 ASN A 592 0.571 -5.062 10.949 1.00 0.00 H new ATOM 0 HB3 ASN A 592 1.629 -4.026 10.011 1.00 0.00 H new ATOM 0 HD21 ASN A 592 -2.393 -3.342 10.295 1.00 0.00 H new ATOM 0 HD22 ASN A 592 -1.551 -4.679 11.084 1.00 0.00 H new ATOM 928 N ASP A 593 -0.323 -7.709 9.542 1.00 0.00 N ATOM 929 CA ASP A 593 -1.448 -8.620 9.666 1.00 0.00 C ATOM 930 C ASP A 593 -2.390 -8.115 10.761 1.00 0.00 C ATOM 931 O ASP A 593 -3.515 -8.595 10.888 1.00 0.00 O ATOM 932 CB ASP A 593 -0.980 -10.023 10.056 1.00 0.00 C ATOM 933 CG ASP A 593 0.296 -10.497 9.356 1.00 0.00 C ATOM 934 OD1 ASP A 593 1.164 -11.131 9.974 1.00 0.00 O ATOM 935 OD2 ASP A 593 0.381 -10.185 8.108 1.00 0.00 O ATOM 0 H ASP A 593 0.551 -8.054 9.939 1.00 0.00 H new ATOM 0 HA ASP A 593 -1.954 -8.663 8.702 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -0.816 -10.049 11.133 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -1.780 -10.730 9.838 1.00 0.00 H new ATOM 941 N GLY A 594 -1.895 -7.152 11.525 1.00 0.00 N ATOM 942 CA GLY A 594 -2.678 -6.576 12.605 1.00 0.00 C ATOM 943 C GLY A 594 -2.683 -7.495 13.829 1.00 0.00 C ATOM 944 O GLY A 594 -3.448 -7.280 14.768 1.00 0.00 O ATOM 0 H GLY A 594 -0.961 -6.756 11.417 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -2.268 -5.603 12.878 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -3.701 -6.408 12.268 1.00 0.00 H new ATOM 948 N ASN A 595 -1.821 -8.499 13.778 1.00 0.00 N ATOM 949 CA ASN A 595 -1.716 -9.452 14.870 1.00 0.00 C ATOM 950 C ASN A 595 -0.284 -9.446 15.410 1.00 0.00 C ATOM 951 O ASN A 595 0.373 -10.485 15.445 1.00 0.00 O ATOM 952 CB ASN A 595 -2.038 -10.871 14.397 1.00 0.00 C ATOM 953 CG ASN A 595 -3.516 -11.003 14.024 1.00 0.00 C ATOM 954 OD1 ASN A 595 -4.405 -10.596 14.753 1.00 0.00 O ATOM 955 ND2 ASN A 595 -3.727 -11.592 12.851 1.00 0.00 N ATOM 0 H ASN A 595 -1.188 -8.674 12.997 1.00 0.00 H new ATOM 0 HA ASN A 595 -2.428 -9.160 15.642 1.00 0.00 H new ATOM 0 HB2 ASN A 595 -1.418 -11.120 13.536 1.00 0.00 H new ATOM 0 HB3 ASN A 595 -1.793 -11.585 15.183 1.00 0.00 H new ATOM 0 HD21 ASN A 595 -4.680 -11.726 12.512 1.00 0.00 H new ATOM 0 HD22 ASN A 595 -2.936 -11.909 12.290 1.00 0.00 H new ATOM 962 N ASN A 596 0.156 -8.265 15.818 1.00 0.00 N ATOM 963 CA ASN A 596 1.497 -8.111 16.355 1.00 0.00 C ATOM 964 C ASN A 596 2.517 -8.531 15.295 1.00 0.00 C ATOM 965 O ASN A 596 3.609 -8.990 15.627 1.00 0.00 O ATOM 966 CB ASN A 596 1.703 -8.995 17.586 1.00 0.00 C ATOM 967 CG ASN A 596 1.045 -8.377 18.821 1.00 0.00 C ATOM 968 OD1 ASN A 596 0.800 -7.184 18.895 1.00 0.00 O ATOM 969 ND2 ASN A 596 0.773 -9.252 19.785 1.00 0.00 N ATOM 0 H ASN A 596 -0.393 -7.406 15.787 1.00 0.00 H new ATOM 0 HA ASN A 596 1.630 -7.066 16.636 1.00 0.00 H new ATOM 0 HB2 ASN A 596 1.283 -9.984 17.402 1.00 0.00 H new ATOM 0 HB3 ASN A 596 2.769 -9.130 17.767 1.00 0.00 H new ATOM 0 HD21 ASN A 596 0.333 -8.938 20.650 1.00 0.00 H new ATOM 0 HD22 ASN A 596 1.004 -10.238 19.659 1.00 0.00 H new ATOM 976 N ASN A 597 2.125 -8.360 14.041 1.00 0.00 N ATOM 977 CA ASN A 597 2.991 -8.717 12.930 1.00 0.00 C ATOM 978 C ASN A 597 3.045 -7.553 11.938 1.00 0.00 C ATOM 979 O ASN A 597 2.179 -7.430 11.073 1.00 0.00 O ATOM 980 CB ASN A 597 2.461 -9.946 12.190 1.00 0.00 C ATOM 981 CG ASN A 597 3.340 -11.169 12.457 1.00 0.00 C ATOM 982 OD1 ASN A 597 4.068 -11.642 11.599 1.00 0.00 O ATOM 983 ND2 ASN A 597 3.232 -11.653 13.691 1.00 0.00 N ATOM 0 H ASN A 597 1.219 -7.979 13.770 1.00 0.00 H new ATOM 0 HA ASN A 597 3.980 -8.938 13.331 1.00 0.00 H new ATOM 0 HB2 ASN A 597 1.439 -10.153 12.507 1.00 0.00 H new ATOM 0 HB3 ASN A 597 2.428 -9.744 11.119 1.00 0.00 H new ATOM 0 HD21 ASN A 597 3.778 -12.469 13.968 1.00 0.00 H new ATOM 0 HD22 ASN A 597 2.603 -11.208 14.360 1.00 0.00 H new ATOM 990 N TRP A 598 4.071 -6.730 12.096 1.00 0.00 N ATOM 991 CA TRP A 598 4.249 -5.581 11.224 1.00 0.00 C ATOM 992 C TRP A 598 5.608 -5.718 10.534 1.00 0.00 C ATOM 993 O TRP A 598 6.595 -6.090 11.166 1.00 0.00 O ATOM 994 CB TRP A 598 4.104 -4.273 12.004 1.00 0.00 C ATOM 995 CG TRP A 598 2.720 -4.067 12.623 1.00 0.00 C ATOM 996 CD1 TRP A 598 2.114 -4.815 13.555 1.00 0.00 C ATOM 997 CD2 TRP A 598 1.788 -3.010 12.312 1.00 0.00 C ATOM 998 NE1 TRP A 598 0.864 -4.318 13.867 1.00 0.00 N ATOM 999 CE2 TRP A 598 0.660 -3.186 13.087 1.00 0.00 C ATOM 1000 CE3 TRP A 598 1.895 -1.940 11.406 1.00 0.00 C ATOM 1001 CZ2 TRP A 598 -0.447 -2.330 13.036 1.00 0.00 C ATOM 1002 CZ3 TRP A 598 0.780 -1.094 11.366 1.00 0.00 C ATOM 1003 CH2 TRP A 598 -0.363 -1.258 12.140 1.00 0.00 C ATOM 0 H TRP A 598 4.787 -6.836 12.814 1.00 0.00 H new ATOM 0 HA TRP A 598 3.472 -5.552 10.460 1.00 0.00 H new ATOM 0 HB2 TRP A 598 4.852 -4.250 12.796 1.00 0.00 H new ATOM 0 HB3 TRP A 598 4.320 -3.438 11.337 1.00 0.00 H new ATOM 0 HD1 TRP A 598 2.548 -5.695 14.005 1.00 0.00 H new ATOM 0 HE1 TRP A 598 0.211 -4.710 14.545 1.00 0.00 H new ATOM 0 HE3 TRP A 598 2.768 -1.783 10.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 598 -1.318 -2.488 13.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 598 0.810 -0.255 10.686 1.00 0.00 H new ATOM 0 HH2 TRP A 598 -1.183 -0.561 12.050 1.00 0.00 H new ATOM 1014 N ASP A 599 5.615 -5.409 9.245 1.00 0.00 N ATOM 1015 CA ASP A 599 6.836 -5.493 8.462 1.00 0.00 C ATOM 1016 C ASP A 599 7.059 -4.168 7.730 1.00 0.00 C ATOM 1017 O ASP A 599 7.001 -4.116 6.502 1.00 0.00 O ATOM 1018 CB ASP A 599 6.743 -6.603 7.413 1.00 0.00 C ATOM 1019 CG ASP A 599 6.731 -8.025 7.976 1.00 0.00 C ATOM 1020 OD1 ASP A 599 7.578 -8.391 8.805 1.00 0.00 O ATOM 1021 OD2 ASP A 599 5.790 -8.783 7.524 1.00 0.00 O ATOM 0 H ASP A 599 4.794 -5.100 8.724 1.00 0.00 H new ATOM 0 HA ASP A 599 7.659 -5.709 9.143 1.00 0.00 H new ATOM 0 HB2 ASP A 599 5.837 -6.453 6.826 1.00 0.00 H new ATOM 0 HB3 ASP A 599 7.585 -6.507 6.728 1.00 0.00 H new ATOM 1027 N SER A 600 7.309 -3.130 8.514 1.00 0.00 N ATOM 1028 CA SER A 600 7.541 -1.809 7.955 1.00 0.00 C ATOM 1029 C SER A 600 8.997 -1.395 8.179 1.00 0.00 C ATOM 1030 O SER A 600 9.561 -0.644 7.384 1.00 0.00 O ATOM 1031 CB SER A 600 6.595 -0.776 8.572 1.00 0.00 C ATOM 1032 OG SER A 600 6.380 0.335 7.706 1.00 0.00 O ATOM 0 H SER A 600 7.356 -3.177 9.532 1.00 0.00 H new ATOM 0 HA SER A 600 7.342 -1.851 6.884 1.00 0.00 H new ATOM 0 HB2 SER A 600 5.640 -1.249 8.799 1.00 0.00 H new ATOM 0 HB3 SER A 600 7.009 -0.424 9.517 1.00 0.00 H new ATOM 0 HG SER A 600 7.141 0.950 7.768 1.00 0.00 H new ATOM 1038 N ASN A 601 9.564 -1.902 9.263 1.00 0.00 N ATOM 1039 CA ASN A 601 10.943 -1.594 9.601 1.00 0.00 C ATOM 1040 C ASN A 601 11.855 -2.694 9.053 1.00 0.00 C ATOM 1041 O ASN A 601 12.570 -3.348 9.811 1.00 0.00 O ATOM 1042 CB ASN A 601 11.138 -1.530 11.117 1.00 0.00 C ATOM 1043 CG ASN A 601 12.587 -1.188 11.469 1.00 0.00 C ATOM 1044 OD1 ASN A 601 13.253 -1.888 12.214 1.00 0.00 O ATOM 1045 ND2 ASN A 601 13.035 -0.076 10.895 1.00 0.00 N ATOM 0 H ASN A 601 9.093 -2.525 9.919 1.00 0.00 H new ATOM 0 HA ASN A 601 11.189 -0.626 9.165 1.00 0.00 H new ATOM 0 HB2 ASN A 601 10.470 -0.781 11.542 1.00 0.00 H new ATOM 0 HB3 ASN A 601 10.868 -2.487 11.563 1.00 0.00 H new ATOM 0 HD21 ASN A 601 13.990 0.238 11.068 1.00 0.00 H new ATOM 0 HD22 ASN A 601 12.424 0.463 10.281 1.00 0.00 H new ATOM 1052 N ASN A 602 11.801 -2.864 7.740 1.00 0.00 N ATOM 1053 CA ASN A 602 12.614 -3.873 7.082 1.00 0.00 C ATOM 1054 C ASN A 602 13.755 -3.189 6.326 1.00 0.00 C ATOM 1055 O ASN A 602 14.782 -3.808 6.054 1.00 0.00 O ATOM 1056 CB ASN A 602 11.788 -4.671 6.071 1.00 0.00 C ATOM 1057 CG ASN A 602 11.868 -6.171 6.361 1.00 0.00 C ATOM 1058 OD1 ASN A 602 11.087 -6.726 7.116 1.00 0.00 O ATOM 1059 ND2 ASN A 602 12.853 -6.795 5.721 1.00 0.00 N ATOM 0 H ASN A 602 11.207 -2.320 7.114 1.00 0.00 H new ATOM 0 HA ASN A 602 12.999 -4.548 7.846 1.00 0.00 H new ATOM 0 HB2 ASN A 602 10.749 -4.345 6.107 1.00 0.00 H new ATOM 0 HB3 ASN A 602 12.150 -4.472 5.062 1.00 0.00 H new ATOM 0 HD21 ASN A 602 12.989 -7.798 5.849 1.00 0.00 H new ATOM 0 HD22 ASN A 602 13.472 -6.271 5.103 1.00 0.00 H new ATOM 1066 N THR A 603 13.536 -1.922 6.009 1.00 0.00 N ATOM 1067 CA THR A 603 14.534 -1.147 5.290 1.00 0.00 C ATOM 1068 C THR A 603 14.030 0.277 5.048 1.00 0.00 C ATOM 1069 O THR A 603 14.224 0.832 3.967 1.00 0.00 O ATOM 1070 CB THR A 603 14.877 -1.898 4.002 1.00 0.00 C ATOM 1071 OG1 THR A 603 15.623 -0.954 3.238 1.00 0.00 O ATOM 1072 CG2 THR A 603 13.643 -2.181 3.143 1.00 0.00 C ATOM 0 H THR A 603 12.682 -1.412 6.236 1.00 0.00 H new ATOM 0 HA THR A 603 15.448 -1.039 5.874 1.00 0.00 H new ATOM 0 HB THR A 603 15.370 -2.838 4.250 1.00 0.00 H new ATOM 0 HG1 THR A 603 15.028 -0.239 2.930 1.00 0.00 H new ATOM 0 HG21 THR A 603 13.942 -2.715 2.241 1.00 0.00 H new ATOM 0 HG22 THR A 603 12.938 -2.790 3.709 1.00 0.00 H new ATOM 0 HG23 THR A 603 13.169 -1.239 2.866 1.00 0.00 H new ATOM 1080 N LYS A 604 13.393 0.827 6.071 1.00 0.00 N ATOM 1081 CA LYS A 604 12.860 2.176 5.982 1.00 0.00 C ATOM 1082 C LYS A 604 11.627 2.174 5.076 1.00 0.00 C ATOM 1083 O LYS A 604 11.486 3.038 4.211 1.00 0.00 O ATOM 1084 CB LYS A 604 13.949 3.155 5.537 1.00 0.00 C ATOM 1085 CG LYS A 604 13.485 4.603 5.701 1.00 0.00 C ATOM 1086 CD LYS A 604 14.037 5.213 6.991 1.00 0.00 C ATOM 1087 CE LYS A 604 15.283 6.055 6.710 1.00 0.00 C ATOM 1088 NZ LYS A 604 15.458 7.088 7.755 1.00 0.00 N ATOM 0 H LYS A 604 13.234 0.363 6.966 1.00 0.00 H new ATOM 0 HA LYS A 604 12.535 2.522 6.963 1.00 0.00 H new ATOM 0 HB2 LYS A 604 14.853 2.990 6.124 1.00 0.00 H new ATOM 0 HB3 LYS A 604 14.207 2.968 4.495 1.00 0.00 H new ATOM 0 HG2 LYS A 604 13.814 5.193 4.846 1.00 0.00 H new ATOM 0 HG3 LYS A 604 12.396 4.640 5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 604 13.273 5.833 7.460 1.00 0.00 H new ATOM 0 HD3 LYS A 604 14.282 4.419 7.697 1.00 0.00 H new ATOM 0 HE2 LYS A 604 16.163 5.412 6.675 1.00 0.00 H new ATOM 0 HE3 LYS A 604 15.195 6.529 5.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 16.308 7.650 7.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 14.626 7.712 7.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 15.563 6.629 8.682 1.00 0.00 H new ATOM 1101 N ASN A 605 10.765 1.194 5.304 1.00 0.00 N ATOM 1102 CA ASN A 605 9.549 1.068 4.519 1.00 0.00 C ATOM 1103 C ASN A 605 9.875 1.296 3.042 1.00 0.00 C ATOM 1104 O ASN A 605 11.044 1.347 2.661 1.00 0.00 O ATOM 1105 CB ASN A 605 8.512 2.111 4.940 1.00 0.00 C ATOM 1106 CG ASN A 605 8.722 2.539 6.394 1.00 0.00 C ATOM 1107 OD1 ASN A 605 8.164 1.975 7.321 1.00 0.00 O ATOM 1108 ND2 ASN A 605 9.556 3.564 6.541 1.00 0.00 N ATOM 0 H ASN A 605 10.885 0.479 6.022 1.00 0.00 H new ATOM 0 HA ASN A 605 9.144 0.069 4.682 1.00 0.00 H new ATOM 0 HB2 ASN A 605 8.581 2.981 4.288 1.00 0.00 H new ATOM 0 HB3 ASN A 605 7.509 1.701 4.819 1.00 0.00 H new ATOM 0 HD21 ASN A 605 9.762 3.924 7.473 1.00 0.00 H new ATOM 0 HD22 ASN A 605 9.989 3.990 5.722 1.00 0.00 H new ATOM 1115 N TYR A 606 8.821 1.425 2.250 1.00 0.00 N ATOM 1116 CA TYR A 606 8.981 1.646 0.822 1.00 0.00 C ATOM 1117 C TYR A 606 8.122 2.820 0.349 1.00 0.00 C ATOM 1118 O TYR A 606 6.960 2.939 0.734 1.00 0.00 O ATOM 1119 CB TYR A 606 8.493 0.366 0.141 1.00 0.00 C ATOM 1120 CG TYR A 606 8.818 -0.914 0.914 1.00 0.00 C ATOM 1121 CD1 TYR A 606 10.132 -1.268 1.142 1.00 0.00 C ATOM 1122 CD2 TYR A 606 7.796 -1.714 1.384 1.00 0.00 C ATOM 1123 CE1 TYR A 606 10.438 -2.472 1.871 1.00 0.00 C ATOM 1124 CE2 TYR A 606 8.102 -2.918 2.113 1.00 0.00 C ATOM 1125 CZ TYR A 606 9.407 -3.237 2.320 1.00 0.00 C ATOM 1126 OH TYR A 606 9.696 -4.375 3.008 1.00 0.00 O ATOM 0 H TYR A 606 7.853 1.381 2.569 1.00 0.00 H new ATOM 0 HA TYR A 606 10.019 1.878 0.583 1.00 0.00 H new ATOM 0 HB2 TYR A 606 7.414 0.430 0.002 1.00 0.00 H new ATOM 0 HB3 TYR A 606 8.939 0.302 -0.851 1.00 0.00 H new ATOM 0 HD1 TYR A 606 10.931 -0.642 0.774 1.00 0.00 H new ATOM 0 HD2 TYR A 606 6.767 -1.437 1.205 1.00 0.00 H new ATOM 0 HE1 TYR A 606 11.462 -2.761 2.057 1.00 0.00 H new ATOM 0 HE2 TYR A 606 7.312 -3.553 2.487 1.00 0.00 H new ATOM 0 HH TYR A 606 8.987 -4.551 3.662 1.00 0.00 H new ATOM 1136 N LEU A 607 8.727 3.659 -0.479 1.00 0.00 N ATOM 1137 CA LEU A 607 8.032 4.820 -1.008 1.00 0.00 C ATOM 1138 C LEU A 607 7.535 4.511 -2.421 1.00 0.00 C ATOM 1139 O LEU A 607 8.231 3.861 -3.200 1.00 0.00 O ATOM 1140 CB LEU A 607 8.924 6.061 -0.928 1.00 0.00 C ATOM 1141 CG LEU A 607 9.203 6.596 0.478 1.00 0.00 C ATOM 1142 CD1 LEU A 607 10.564 7.294 0.538 1.00 0.00 C ATOM 1143 CD2 LEU A 607 8.070 7.508 0.952 1.00 0.00 C ATOM 0 H LEU A 607 9.691 3.558 -0.797 1.00 0.00 H new ATOM 0 HA LEU A 607 7.154 5.047 -0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 607 9.877 5.830 -1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 607 8.460 6.856 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 607 9.244 5.750 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 607 10.738 7.665 1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 607 11.348 6.586 0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 607 10.576 8.129 -0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 607 8.293 7.875 1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 607 7.973 8.352 0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 607 7.135 6.947 0.971 1.00 0.00 H new ATOM 1155 N PHE A 608 6.334 4.990 -2.710 1.00 0.00 N ATOM 1156 CA PHE A 608 5.735 4.773 -4.016 1.00 0.00 C ATOM 1157 C PHE A 608 5.194 6.081 -4.595 1.00 0.00 C ATOM 1158 O PHE A 608 4.727 6.946 -3.856 1.00 0.00 O ATOM 1159 CB PHE A 608 4.573 3.797 -3.818 1.00 0.00 C ATOM 1160 CG PHE A 608 4.915 2.592 -2.939 1.00 0.00 C ATOM 1161 CD1 PHE A 608 5.799 1.658 -3.380 1.00 0.00 C ATOM 1162 CD2 PHE A 608 4.334 2.456 -1.717 1.00 0.00 C ATOM 1163 CE1 PHE A 608 6.116 0.540 -2.564 1.00 0.00 C ATOM 1164 CE2 PHE A 608 4.651 1.338 -0.901 1.00 0.00 C ATOM 1165 CZ PHE A 608 5.536 0.404 -1.341 1.00 0.00 C ATOM 0 H PHE A 608 5.759 5.528 -2.062 1.00 0.00 H new ATOM 0 HA PHE A 608 6.481 4.382 -4.708 1.00 0.00 H new ATOM 0 HB2 PHE A 608 3.734 4.332 -3.373 1.00 0.00 H new ATOM 0 HB3 PHE A 608 4.242 3.440 -4.793 1.00 0.00 H new ATOM 0 HD1 PHE A 608 6.260 1.766 -4.351 1.00 0.00 H new ATOM 0 HD2 PHE A 608 3.632 3.198 -1.367 1.00 0.00 H new ATOM 0 HE1 PHE A 608 6.818 -0.202 -2.914 1.00 0.00 H new ATOM 0 HE2 PHE A 608 4.189 1.229 0.069 1.00 0.00 H new ATOM 0 HZ PHE A 608 5.778 -0.446 -0.720 1.00 0.00 H new ATOM 1175 N SER A 609 5.274 6.185 -5.914 1.00 0.00 N ATOM 1176 CA SER A 609 4.798 7.374 -6.601 1.00 0.00 C ATOM 1177 C SER A 609 3.562 7.035 -7.436 1.00 0.00 C ATOM 1178 O SER A 609 3.369 5.885 -7.828 1.00 0.00 O ATOM 1179 CB SER A 609 5.891 7.971 -7.490 1.00 0.00 C ATOM 1180 OG SER A 609 5.650 9.345 -7.782 1.00 0.00 O ATOM 0 H SER A 609 5.661 5.466 -6.525 1.00 0.00 H new ATOM 0 HA SER A 609 4.530 8.118 -5.851 1.00 0.00 H new ATOM 0 HB2 SER A 609 6.857 7.870 -6.995 1.00 0.00 H new ATOM 0 HB3 SER A 609 5.949 7.407 -8.421 1.00 0.00 H new ATOM 0 HG SER A 609 5.691 9.867 -6.954 1.00 0.00 H new ATOM 1186 N THR A 610 2.756 8.057 -7.683 1.00 0.00 N ATOM 1187 CA THR A 610 1.543 7.883 -8.464 1.00 0.00 C ATOM 1188 C THR A 610 1.786 6.903 -9.614 1.00 0.00 C ATOM 1189 O THR A 610 2.916 6.748 -10.074 1.00 0.00 O ATOM 1190 CB THR A 610 1.078 9.264 -8.931 1.00 0.00 C ATOM 1191 OG1 THR A 610 2.249 9.853 -9.492 1.00 0.00 O ATOM 1192 CG2 THR A 610 0.719 10.186 -7.764 1.00 0.00 C ATOM 0 H THR A 610 2.919 9.009 -7.356 1.00 0.00 H new ATOM 0 HA THR A 610 0.747 7.442 -7.864 1.00 0.00 H new ATOM 0 HB THR A 610 0.214 9.154 -9.586 1.00 0.00 H new ATOM 0 HG1 THR A 610 2.037 10.751 -9.822 1.00 0.00 H new ATOM 0 HG21 THR A 610 0.396 11.153 -8.150 1.00 0.00 H new ATOM 0 HG22 THR A 610 -0.087 9.739 -7.182 1.00 0.00 H new ATOM 0 HG23 THR A 610 1.593 10.324 -7.127 1.00 0.00 H new ATOM 1200 N GLY A 611 0.706 6.267 -10.045 1.00 0.00 N ATOM 1201 CA GLY A 611 0.788 5.307 -11.132 1.00 0.00 C ATOM 1202 C GLY A 611 0.265 3.937 -10.694 1.00 0.00 C ATOM 1203 O GLY A 611 -0.633 3.850 -9.858 1.00 0.00 O ATOM 0 H GLY A 611 -0.230 6.398 -9.661 1.00 0.00 H new ATOM 0 HA2 GLY A 611 0.210 5.666 -11.983 1.00 0.00 H new ATOM 0 HA3 GLY A 611 1.822 5.216 -11.465 1.00 0.00 H new ATOM 1207 N THR A 612 0.850 2.902 -11.279 1.00 0.00 N ATOM 1208 CA THR A 612 0.455 1.540 -10.959 1.00 0.00 C ATOM 1209 C THR A 612 1.578 0.821 -10.211 1.00 0.00 C ATOM 1210 O THR A 612 2.707 0.754 -10.694 1.00 0.00 O ATOM 1211 CB THR A 612 0.051 0.847 -12.261 1.00 0.00 C ATOM 1212 OG1 THR A 612 -0.593 1.871 -13.015 1.00 0.00 O ATOM 1213 CG2 THR A 612 -1.041 -0.204 -12.051 1.00 0.00 C ATOM 0 H THR A 612 1.594 2.979 -11.972 1.00 0.00 H new ATOM 0 HA THR A 612 -0.402 1.524 -10.286 1.00 0.00 H new ATOM 0 HB THR A 612 0.927 0.376 -12.708 1.00 0.00 H new ATOM 0 HG1 THR A 612 -0.886 1.508 -13.877 1.00 0.00 H new ATOM 0 HG21 THR A 612 -1.291 -0.665 -13.007 1.00 0.00 H new ATOM 0 HG22 THR A 612 -0.683 -0.968 -11.362 1.00 0.00 H new ATOM 0 HG23 THR A 612 -1.929 0.272 -11.635 1.00 0.00 H new ATOM 1221 N SER A 613 1.230 0.300 -9.043 1.00 0.00 N ATOM 1222 CA SER A 613 2.195 -0.412 -8.223 1.00 0.00 C ATOM 1223 C SER A 613 1.632 -1.776 -7.818 1.00 0.00 C ATOM 1224 O SER A 613 0.420 -1.982 -7.837 1.00 0.00 O ATOM 1225 CB SER A 613 2.567 0.399 -6.980 1.00 0.00 C ATOM 1226 OG SER A 613 3.923 0.193 -6.594 1.00 0.00 O ATOM 0 H SER A 613 0.292 0.357 -8.645 1.00 0.00 H new ATOM 0 HA SER A 613 3.101 -0.560 -8.811 1.00 0.00 H new ATOM 0 HB2 SER A 613 2.403 1.459 -7.176 1.00 0.00 H new ATOM 0 HB3 SER A 613 1.909 0.122 -6.156 1.00 0.00 H new ATOM 0 HG SER A 613 4.122 0.729 -5.798 1.00 0.00 H new ATOM 1232 N THR A 614 2.540 -2.673 -7.461 1.00 0.00 N ATOM 1233 CA THR A 614 2.149 -4.011 -7.052 1.00 0.00 C ATOM 1234 C THR A 614 2.873 -4.408 -5.764 1.00 0.00 C ATOM 1235 O THR A 614 4.102 -4.408 -5.713 1.00 0.00 O ATOM 1236 CB THR A 614 2.423 -4.961 -8.220 1.00 0.00 C ATOM 1237 OG1 THR A 614 1.787 -4.337 -9.332 1.00 0.00 O ATOM 1238 CG2 THR A 614 1.691 -6.296 -8.073 1.00 0.00 C ATOM 0 H THR A 614 3.545 -2.499 -7.447 1.00 0.00 H new ATOM 0 HA THR A 614 1.086 -4.058 -6.818 1.00 0.00 H new ATOM 0 HB THR A 614 3.495 -5.142 -8.297 1.00 0.00 H new ATOM 0 HG1 THR A 614 2.413 -3.718 -9.762 1.00 0.00 H new ATOM 0 HG21 THR A 614 1.920 -6.932 -8.928 1.00 0.00 H new ATOM 0 HG22 THR A 614 2.015 -6.789 -7.156 1.00 0.00 H new ATOM 0 HG23 THR A 614 0.616 -6.119 -8.030 1.00 0.00 H new ATOM 1246 N TYR A 615 2.080 -4.736 -4.755 1.00 0.00 N ATOM 1247 CA TYR A 615 2.629 -5.134 -3.470 1.00 0.00 C ATOM 1248 C TYR A 615 2.577 -6.654 -3.298 1.00 0.00 C ATOM 1249 O TYR A 615 1.504 -7.252 -3.350 1.00 0.00 O ATOM 1250 CB TYR A 615 1.739 -4.482 -2.410 1.00 0.00 C ATOM 1251 CG TYR A 615 2.492 -3.571 -1.439 1.00 0.00 C ATOM 1252 CD1 TYR A 615 3.350 -4.116 -0.506 1.00 0.00 C ATOM 1253 CD2 TYR A 615 2.314 -2.204 -1.497 1.00 0.00 C ATOM 1254 CE1 TYR A 615 4.059 -3.259 0.408 1.00 0.00 C ATOM 1255 CE2 TYR A 615 3.023 -1.346 -0.583 1.00 0.00 C ATOM 1256 CZ TYR A 615 3.861 -1.916 0.324 1.00 0.00 C ATOM 1257 OH TYR A 615 4.530 -1.106 1.187 1.00 0.00 O ATOM 0 H TYR A 615 1.061 -4.734 -4.801 1.00 0.00 H new ATOM 0 HA TYR A 615 3.671 -4.827 -3.387 1.00 0.00 H new ATOM 0 HB2 TYR A 615 0.963 -3.901 -2.909 1.00 0.00 H new ATOM 0 HB3 TYR A 615 1.236 -5.264 -1.842 1.00 0.00 H new ATOM 0 HD1 TYR A 615 3.490 -5.186 -0.461 1.00 0.00 H new ATOM 0 HD2 TYR A 615 1.643 -1.777 -2.228 1.00 0.00 H new ATOM 0 HE1 TYR A 615 4.733 -3.673 1.144 1.00 0.00 H new ATOM 0 HE2 TYR A 615 2.892 -0.274 -0.617 1.00 0.00 H new ATOM 0 HH TYR A 615 4.818 -0.295 0.718 1.00 0.00 H new ATOM 1267 N THR A 616 3.751 -7.235 -3.097 1.00 0.00 N ATOM 1268 CA THR A 616 3.853 -8.673 -2.917 1.00 0.00 C ATOM 1269 C THR A 616 4.713 -8.998 -1.695 1.00 0.00 C ATOM 1270 O THR A 616 5.929 -9.149 -1.809 1.00 0.00 O ATOM 1271 CB THR A 616 4.391 -9.275 -4.217 1.00 0.00 C ATOM 1272 OG1 THR A 616 3.373 -8.998 -5.175 1.00 0.00 O ATOM 1273 CG2 THR A 616 4.454 -10.803 -4.172 1.00 0.00 C ATOM 0 H THR A 616 4.639 -6.736 -3.055 1.00 0.00 H new ATOM 0 HA THR A 616 2.878 -9.117 -2.716 1.00 0.00 H new ATOM 0 HB THR A 616 5.385 -8.876 -4.418 1.00 0.00 H new ATOM 0 HG1 THR A 616 3.641 -9.353 -6.048 1.00 0.00 H new ATOM 0 HG21 THR A 616 4.842 -11.179 -5.118 1.00 0.00 H new ATOM 0 HG22 THR A 616 5.110 -11.116 -3.360 1.00 0.00 H new ATOM 0 HG23 THR A 616 3.454 -11.204 -4.005 1.00 0.00 H new ATOM 1281 N PRO A 617 4.032 -9.099 -0.522 1.00 0.00 N ATOM 1282 CA PRO A 617 4.721 -9.404 0.720 1.00 0.00 C ATOM 1283 C PRO A 617 5.113 -10.882 0.781 1.00 0.00 C ATOM 1284 O PRO A 617 4.736 -11.665 -0.089 1.00 0.00 O ATOM 1285 CB PRO A 617 3.749 -9.002 1.818 1.00 0.00 C ATOM 1286 CG PRO A 617 2.383 -8.924 1.156 1.00 0.00 C ATOM 1287 CD PRO A 617 2.592 -8.927 -0.349 1.00 0.00 C ATOM 0 HA PRO A 617 5.662 -8.864 0.822 1.00 0.00 H new ATOM 0 HB2 PRO A 617 3.750 -9.732 2.627 1.00 0.00 H new ATOM 0 HB3 PRO A 617 4.027 -8.043 2.254 1.00 0.00 H new ATOM 0 HG2 PRO A 617 1.764 -9.770 1.457 1.00 0.00 H new ATOM 0 HG3 PRO A 617 1.860 -8.020 1.467 1.00 0.00 H new ATOM 0 HD2 PRO A 617 2.037 -9.735 -0.824 1.00 0.00 H new ATOM 0 HD3 PRO A 617 2.247 -7.996 -0.799 1.00 0.00 H new ATOM 1295 N GLY A 618 5.866 -11.219 1.818 1.00 0.00 N ATOM 1296 CA GLY A 618 6.314 -12.588 2.004 1.00 0.00 C ATOM 1297 C GLY A 618 5.292 -13.396 2.806 1.00 0.00 C ATOM 1298 O GLY A 618 4.106 -13.067 2.817 1.00 0.00 O ATOM 0 H GLY A 618 6.177 -10.567 2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 618 6.473 -13.057 1.033 1.00 0.00 H new ATOM 0 HA3 GLY A 618 7.273 -12.593 2.521 1.00 0.00 H new ATOM 1302 N SER A 619 5.788 -14.437 3.459 1.00 0.00 N ATOM 1303 CA SER A 619 4.932 -15.293 4.262 1.00 0.00 C ATOM 1304 C SER A 619 4.967 -14.844 5.725 1.00 0.00 C ATOM 1305 O SER A 619 5.139 -15.663 6.625 1.00 0.00 O ATOM 1306 CB SER A 619 5.356 -16.759 4.147 1.00 0.00 C ATOM 1307 OG SER A 619 4.240 -17.624 3.962 1.00 0.00 O ATOM 0 H SER A 619 6.772 -14.707 3.448 1.00 0.00 H new ATOM 0 HA SER A 619 3.913 -15.207 3.886 1.00 0.00 H new ATOM 0 HB2 SER A 619 6.045 -16.872 3.310 1.00 0.00 H new ATOM 0 HB3 SER A 619 5.896 -17.052 5.047 1.00 0.00 H new ATOM 0 HG SER A 619 4.552 -18.550 3.891 1.00 0.00 H new ATOM 1313 N ASN A 620 4.800 -13.543 5.915 1.00 0.00 N ATOM 1314 CA ASN A 620 4.810 -12.975 7.252 1.00 0.00 C ATOM 1315 C ASN A 620 6.183 -13.204 7.888 1.00 0.00 C ATOM 1316 O ASN A 620 6.726 -14.305 7.822 1.00 0.00 O ATOM 1317 CB ASN A 620 3.760 -13.643 8.142 1.00 0.00 C ATOM 1318 CG ASN A 620 2.530 -12.747 8.305 1.00 0.00 C ATOM 1319 OD1 ASN A 620 2.540 -11.570 7.982 1.00 0.00 O ATOM 1320 ND2 ASN A 620 1.474 -13.368 8.822 1.00 0.00 N ATOM 0 H ASN A 620 4.657 -12.866 5.165 1.00 0.00 H new ATOM 0 HA ASN A 620 4.588 -11.911 7.168 1.00 0.00 H new ATOM 0 HB2 ASN A 620 3.464 -14.598 7.708 1.00 0.00 H new ATOM 0 HB3 ASN A 620 4.190 -13.858 9.120 1.00 0.00 H new ATOM 0 HD21 ASN A 620 0.604 -12.857 8.970 1.00 0.00 H new ATOM 0 HD22 ASN A 620 1.534 -14.355 9.070 1.00 0.00 H new ATOM 1327 N GLY A 621 6.704 -12.145 8.491 1.00 0.00 N ATOM 1328 CA GLY A 621 8.003 -12.216 9.139 1.00 0.00 C ATOM 1329 C GLY A 621 9.125 -11.882 8.154 1.00 0.00 C ATOM 1330 O GLY A 621 10.200 -11.443 8.559 1.00 0.00 O ATOM 0 H GLY A 621 6.250 -11.233 8.544 1.00 0.00 H new ATOM 0 HA2 GLY A 621 8.033 -11.522 9.979 1.00 0.00 H new ATOM 0 HA3 GLY A 621 8.157 -13.216 9.546 1.00 0.00 H new ATOM 1334 N ALA A 622 8.837 -12.104 6.880 1.00 0.00 N ATOM 1335 CA ALA A 622 9.809 -11.832 5.835 1.00 0.00 C ATOM 1336 C ALA A 622 9.207 -10.850 4.828 1.00 0.00 C ATOM 1337 O ALA A 622 8.367 -11.227 4.013 1.00 0.00 O ATOM 1338 CB ALA A 622 10.237 -13.148 5.181 1.00 0.00 C ATOM 0 H ALA A 622 7.944 -12.469 6.548 1.00 0.00 H new ATOM 0 HA ALA A 622 10.703 -11.369 6.253 1.00 0.00 H new ATOM 0 HB1 ALA A 622 10.966 -12.944 4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 622 10.684 -13.799 5.932 1.00 0.00 H new ATOM 0 HB3 ALA A 622 9.366 -13.639 4.748 1.00 0.00 H new ATOM 1344 N ALA A 623 9.661 -9.608 4.917 1.00 0.00 N ATOM 1345 CA ALA A 623 9.179 -8.569 4.024 1.00 0.00 C ATOM 1346 C ALA A 623 9.187 -9.093 2.587 1.00 0.00 C ATOM 1347 O ALA A 623 9.776 -10.135 2.306 1.00 0.00 O ATOM 1348 CB ALA A 623 10.036 -7.312 4.192 1.00 0.00 C ATOM 0 H ALA A 623 10.358 -9.298 5.594 1.00 0.00 H new ATOM 0 HA ALA A 623 8.152 -8.298 4.270 1.00 0.00 H new ATOM 0 HB1 ALA A 623 9.674 -6.533 3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 623 9.972 -6.963 5.223 1.00 0.00 H new ATOM 0 HB3 ALA A 623 11.073 -7.544 3.952 1.00 0.00 H new ATOM 1354 N GLY A 624 8.526 -8.345 1.715 1.00 0.00 N ATOM 1355 CA GLY A 624 8.450 -8.722 0.313 1.00 0.00 C ATOM 1356 C GLY A 624 9.048 -7.633 -0.580 1.00 0.00 C ATOM 1357 O GLY A 624 10.097 -7.073 -0.264 1.00 0.00 O ATOM 0 H GLY A 624 8.039 -7.481 1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 624 8.983 -9.660 0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 624 7.410 -8.895 0.035 1.00 0.00 H new ATOM 1361 N THR A 625 8.355 -7.366 -1.677 1.00 0.00 N ATOM 1362 CA THR A 625 8.805 -6.354 -2.618 1.00 0.00 C ATOM 1363 C THR A 625 7.611 -5.744 -3.356 1.00 0.00 C ATOM 1364 O THR A 625 6.522 -6.315 -3.361 1.00 0.00 O ATOM 1365 CB THR A 625 9.831 -6.999 -3.552 1.00 0.00 C ATOM 1366 OG1 THR A 625 9.265 -8.269 -3.866 1.00 0.00 O ATOM 1367 CG2 THR A 625 11.139 -7.342 -2.837 1.00 0.00 C ATOM 0 H THR A 625 7.486 -7.833 -1.935 1.00 0.00 H new ATOM 0 HA THR A 625 9.289 -5.524 -2.104 1.00 0.00 H new ATOM 0 HB THR A 625 10.037 -6.326 -4.384 1.00 0.00 H new ATOM 0 HG1 THR A 625 9.865 -8.754 -4.470 1.00 0.00 H new ATOM 0 HG21 THR A 625 11.832 -7.797 -3.545 1.00 0.00 H new ATOM 0 HG22 THR A 625 11.581 -6.432 -2.430 1.00 0.00 H new ATOM 0 HG23 THR A 625 10.938 -8.042 -2.026 1.00 0.00 H new ATOM 1375 N ILE A 626 7.857 -4.591 -3.961 1.00 0.00 N ATOM 1376 CA ILE A 626 6.816 -3.897 -4.700 1.00 0.00 C ATOM 1377 C ILE A 626 7.249 -3.743 -6.159 1.00 0.00 C ATOM 1378 O ILE A 626 8.327 -3.220 -6.439 1.00 0.00 O ATOM 1379 CB ILE A 626 6.467 -2.572 -4.019 1.00 0.00 C ATOM 1380 CG1 ILE A 626 6.938 -2.564 -2.563 1.00 0.00 C ATOM 1381 CG2 ILE A 626 4.972 -2.270 -4.140 1.00 0.00 C ATOM 1382 CD1 ILE A 626 8.346 -1.978 -2.445 1.00 0.00 C ATOM 0 H ILE A 626 8.762 -4.120 -3.954 1.00 0.00 H new ATOM 0 HA ILE A 626 5.895 -4.481 -4.700 1.00 0.00 H new ATOM 0 HB ILE A 626 6.999 -1.772 -4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 626 6.245 -1.980 -1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 626 6.929 -3.580 -2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 626 4.751 -1.323 -3.648 1.00 0.00 H new ATOM 0 HG22 ILE A 626 4.698 -2.204 -5.193 1.00 0.00 H new ATOM 0 HG23 ILE A 626 4.400 -3.068 -3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 626 8.656 -1.984 -1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 626 9.040 -2.578 -3.033 1.00 0.00 H new ATOM 0 HD13 ILE A 626 8.346 -0.954 -2.818 1.00 0.00 H new ATOM 1394 N ARG A 627 6.387 -4.206 -7.052 1.00 0.00 N ATOM 1395 CA ARG A 627 6.667 -4.126 -8.475 1.00 0.00 C ATOM 1396 C ARG A 627 5.731 -3.117 -9.144 1.00 0.00 C ATOM 1397 O ARG A 627 4.510 -3.249 -9.063 1.00 0.00 O ATOM 1398 CB ARG A 627 6.499 -5.490 -9.147 1.00 0.00 C ATOM 1399 CG ARG A 627 7.659 -5.777 -10.103 1.00 0.00 C ATOM 1400 CD ARG A 627 8.636 -6.784 -9.492 1.00 0.00 C ATOM 1401 NE ARG A 627 9.792 -6.979 -10.395 1.00 0.00 N ATOM 1402 CZ ARG A 627 10.840 -7.784 -10.120 1.00 0.00 C ATOM 1403 NH1 ARG A 627 10.887 -8.477 -8.962 1.00 0.00 N ATOM 1404 NH2 ARG A 627 11.819 -7.884 -11.000 1.00 0.00 N ATOM 0 H ARG A 627 5.493 -4.638 -6.817 1.00 0.00 H new ATOM 0 HA ARG A 627 7.701 -3.801 -8.592 1.00 0.00 H new ATOM 0 HB2 ARG A 627 6.448 -6.270 -8.387 1.00 0.00 H new ATOM 0 HB3 ARG A 627 5.557 -5.516 -9.695 1.00 0.00 H new ATOM 0 HG2 ARG A 627 7.271 -6.166 -11.045 1.00 0.00 H new ATOM 0 HG3 ARG A 627 8.183 -4.850 -10.333 1.00 0.00 H new ATOM 0 HD2 ARG A 627 8.979 -6.427 -8.521 1.00 0.00 H new ATOM 0 HD3 ARG A 627 8.132 -7.735 -9.322 1.00 0.00 H new ATOM 0 HE ARG A 627 9.797 -6.473 -11.281 1.00 0.00 H new ATOM 0 HH11 ARG A 627 10.127 -8.394 -8.287 1.00 0.00 H new ATOM 0 HH12 ARG A 627 11.683 -9.083 -8.762 1.00 0.00 H new ATOM 0 HH21 ARG A 627 11.776 -7.357 -11.872 1.00 0.00 H new ATOM 0 HH22 ARG A 627 12.618 -8.488 -10.807 1.00 0.00 H new ATOM 1417 N THR A 628 6.338 -2.133 -9.790 1.00 0.00 N ATOM 1418 CA THR A 628 5.575 -1.102 -10.473 1.00 0.00 C ATOM 1419 C THR A 628 5.010 -1.641 -11.789 1.00 0.00 C ATOM 1420 O THR A 628 5.604 -2.521 -12.410 1.00 0.00 O ATOM 1421 CB THR A 628 6.482 0.116 -10.654 1.00 0.00 C ATOM 1422 OG1 THR A 628 7.592 -0.147 -9.800 1.00 0.00 O ATOM 1423 CG2 THR A 628 5.866 1.395 -10.081 1.00 0.00 C ATOM 0 H THR A 628 7.350 -2.027 -9.855 1.00 0.00 H new ATOM 0 HA THR A 628 4.710 -0.795 -9.886 1.00 0.00 H new ATOM 0 HB THR A 628 6.692 0.257 -11.714 1.00 0.00 H new ATOM 0 HG1 THR A 628 8.231 0.593 -9.857 1.00 0.00 H new ATOM 0 HG21 THR A 628 6.550 2.229 -10.236 1.00 0.00 H new ATOM 0 HG22 THR A 628 4.922 1.602 -10.585 1.00 0.00 H new ATOM 0 HG23 THR A 628 5.687 1.266 -9.014 1.00 0.00 H new ATOM 1431 N GLY A 629 3.870 -1.089 -12.177 1.00 0.00 N ATOM 1432 CA GLY A 629 3.218 -1.502 -13.408 1.00 0.00 C ATOM 1433 C GLY A 629 1.949 -2.304 -13.114 1.00 0.00 C ATOM 1434 O GLY A 629 1.919 -3.107 -12.183 1.00 0.00 O ATOM 0 H GLY A 629 3.381 -0.358 -11.660 1.00 0.00 H new ATOM 0 HA2 GLY A 629 2.968 -0.624 -14.003 1.00 0.00 H new ATOM 0 HA3 GLY A 629 3.904 -2.105 -14.002 1.00 0.00 H new ATOM 1438 N ALA A 630 0.931 -2.059 -13.926 1.00 0.00 N ATOM 1439 CA ALA A 630 -0.338 -2.748 -13.765 1.00 0.00 C ATOM 1440 C ALA A 630 -0.115 -4.256 -13.902 1.00 0.00 C ATOM 1441 O ALA A 630 0.274 -4.735 -14.966 1.00 0.00 O ATOM 1442 CB ALA A 630 -1.343 -2.212 -14.785 1.00 0.00 C ATOM 0 H ALA A 630 0.959 -1.393 -14.698 1.00 0.00 H new ATOM 0 HA ALA A 630 -0.752 -2.565 -12.773 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -2.295 -2.729 -14.664 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -1.488 -1.143 -14.626 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -0.964 -2.381 -15.793 1.00 0.00 H new ATOM 1448 N PRO A 631 -0.379 -4.980 -12.782 1.00 0.00 N ATOM 1449 CA PRO A 631 -0.212 -6.424 -12.768 1.00 0.00 C ATOM 1450 C PRO A 631 -1.348 -7.115 -13.524 1.00 0.00 C ATOM 1451 O PRO A 631 -2.384 -6.505 -13.789 1.00 0.00 O ATOM 1452 CB PRO A 631 -0.164 -6.799 -11.296 1.00 0.00 C ATOM 1453 CG PRO A 631 -0.768 -5.624 -10.545 1.00 0.00 C ATOM 1454 CD PRO A 631 -0.842 -4.447 -11.504 1.00 0.00 C ATOM 0 HA PRO A 631 0.695 -6.748 -13.278 1.00 0.00 H new ATOM 0 HB2 PRO A 631 -0.727 -7.713 -11.108 1.00 0.00 H new ATOM 0 HB3 PRO A 631 0.861 -6.983 -10.973 1.00 0.00 H new ATOM 0 HG2 PRO A 631 -1.761 -5.878 -10.174 1.00 0.00 H new ATOM 0 HG3 PRO A 631 -0.159 -5.372 -9.677 1.00 0.00 H new ATOM 0 HD2 PRO A 631 -1.859 -4.062 -11.581 1.00 0.00 H new ATOM 0 HD3 PRO A 631 -0.213 -3.622 -11.168 1.00 0.00 H new ATOM 1462 N SER A 632 -1.117 -8.378 -13.851 1.00 0.00 N ATOM 1463 CA SER A 632 -2.108 -9.158 -14.572 1.00 0.00 C ATOM 1464 C SER A 632 -2.297 -10.517 -13.896 1.00 0.00 C ATOM 1465 O SER A 632 -1.862 -11.541 -14.420 1.00 0.00 O ATOM 1466 CB SER A 632 -1.704 -9.345 -16.036 1.00 0.00 C ATOM 1467 OG SER A 632 -2.498 -8.553 -16.914 1.00 0.00 O ATOM 0 H SER A 632 -0.257 -8.881 -13.630 1.00 0.00 H new ATOM 0 HA SER A 632 -3.052 -8.614 -14.551 1.00 0.00 H new ATOM 0 HB2 SER A 632 -0.654 -9.080 -16.159 1.00 0.00 H new ATOM 0 HB3 SER A 632 -1.802 -10.396 -16.308 1.00 0.00 H new ATOM 0 HG SER A 632 -2.208 -8.699 -17.839 1.00 0.00 H new ATOM 1473 N GLY A 633 -2.946 -10.483 -12.741 1.00 0.00 N ATOM 1474 CA GLY A 633 -3.197 -11.700 -11.988 1.00 0.00 C ATOM 1475 C GLY A 633 -1.979 -12.625 -12.017 1.00 0.00 C ATOM 1476 O GLY A 633 -2.074 -13.769 -12.459 1.00 0.00 O ATOM 0 H GLY A 633 -3.305 -9.632 -12.309 1.00 0.00 H new ATOM 0 HA2 GLY A 633 -3.443 -11.449 -10.956 1.00 0.00 H new ATOM 0 HA3 GLY A 633 -4.061 -12.218 -12.405 1.00 0.00 H new TER 1480 GLY A 633