USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 598 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 561 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 584 THR OG1 : rot 180:sc= 0.0322 USER MOD Set 2.1: A 583 SER OG : rot -124:sc= -0.909 USER MOD Set 2.2: A 592 TYR OH : rot -141:sc= 0.113 USER MOD Set 3.1: A 572 THR OG1 : rot -63:sc= 1.53 USER MOD Set 3.2: A 574 SER OG : rot 180:sc=-0.00446 USER MOD Set 3.3: A 575 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 564 THR OG1 : rot 180:sc= -0.435 USER MOD Set 4.2: A 565 ASN : amide:sc= 0 X(o=-0.43,f=-0.84) USER MOD Single : A 557 HIS : no HD1:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 558 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 568 SER OG : rot 41:sc= 0 USER MOD Single : A 569 THR OG1 : rot 180:sc= 0.00964 USER MOD Single : A 571 GLN : amide:sc= -0.634 K(o=-0.63,f=-3.7!) USER MOD Single : A 573 THR OG1 : rot 180:sc= 0 USER MOD Single : A 577 THR OG1 : rot -170:sc= -0.0869 USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 581 THR OG1 : rot 70:sc= 0.327 USER MOD Single : A 586 ASN : amide:sc= -3.18! K(o=-3.2!,f=-1.3) USER MOD Single : A 590 THR OG1 : rot 160:sc= 0 USER MOD Single : A 595 TYR OH : rot 128:sc= 0.0461 USER MOD Single : A 596 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.036) USER MOD Single : A 598 THR OG1 : rot 28:sc= 0.115 USER MOD Single : A 602 THR OG1 : rot 180:sc= -0.431 USER MOD Single : A 603 THR OG1 : rot 180:sc= 0 USER MOD Single : A 605 THR OG1 : rot 180:sc= 0 USER MOD Single : A 607 THR OG1 : rot 180:sc= 0 USER MOD Single : A 608 THR OG1 : rot 180:sc= 0 USER MOD Single : A 610 THR OG1 : rot 180:sc= 0 USER MOD Single : A 612 SER OG : rot 180:sc= 0 USER MOD Single : A 618 THR OG1 : rot 90:sc= 0.29 USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 620 TYR OH : rot 71:sc= -1.73! USER MOD Single : A 621 THR OG1 : rot 180:sc= 0 USER MOD Single : A 623 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 625 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 627 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 632 ASN : amide:sc= -1.2 X(o=-1.2,f=-0.84) USER MOD Single : A 634 SER OG : rot -70:sc= -1.48 USER MOD Single : A 637 SER OG : rot 120:sc= -0.558 USER MOD Single : A 638 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 641 SER OG : rot 180:sc= 0.0372 USER MOD Single : A 643 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 644 THR OG1 : rot 142:sc= 0.835 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 557 -19.782 -0.331 6.613 1.00 0.00 N ATOM 2 CA HIS A 557 -20.818 0.733 6.576 1.00 0.00 C ATOM 3 C HIS A 557 -20.877 1.396 5.202 1.00 0.00 C ATOM 4 O HIS A 557 -21.724 1.057 4.376 1.00 0.00 O ATOM 5 CB HIS A 557 -20.489 1.772 7.650 1.00 0.00 C ATOM 6 CG HIS A 557 -20.343 1.189 9.020 1.00 0.00 C ATOM 7 ND1 HIS A 557 -19.149 1.176 9.710 1.00 0.00 N ATOM 8 CD2 HIS A 557 -21.251 0.598 9.833 1.00 0.00 C ATOM 9 CE1 HIS A 557 -19.329 0.602 10.886 1.00 0.00 C ATOM 10 NE2 HIS A 557 -20.595 0.243 10.986 1.00 0.00 N ATOM 0 HA HIS A 557 -21.795 0.289 6.770 1.00 0.00 H new ATOM 0 HB2 HIS A 557 -19.564 2.281 7.380 1.00 0.00 H new ATOM 0 HB3 HIS A 557 -21.275 2.527 7.667 1.00 0.00 H new ATOM 0 HD2 HIS A 557 -22.296 0.436 9.615 1.00 0.00 H new ATOM 0 HE1 HIS A 557 -18.569 0.452 11.638 1.00 0.00 H new ATOM 0 HE2 HIS A 557 -21.018 -0.223 11.789 1.00 0.00 H new ATOM 21 N MET A 558 -19.969 2.338 4.966 1.00 0.00 N ATOM 22 CA MET A 558 -19.914 3.045 3.691 1.00 0.00 C ATOM 23 C MET A 558 -18.543 2.882 3.043 1.00 0.00 C ATOM 24 O MET A 558 -18.425 2.331 1.948 1.00 0.00 O ATOM 25 CB MET A 558 -20.225 4.531 3.891 1.00 0.00 C ATOM 26 CG MET A 558 -21.081 5.126 2.785 1.00 0.00 C ATOM 27 SD MET A 558 -22.134 6.469 3.366 1.00 0.00 S ATOM 28 CE MET A 558 -23.729 5.942 2.744 1.00 0.00 C ATOM 0 H MET A 558 -19.262 2.629 5.641 1.00 0.00 H new ATOM 0 HA MET A 558 -20.665 2.613 3.030 1.00 0.00 H new ATOM 0 HB2 MET A 558 -20.736 4.662 4.845 1.00 0.00 H new ATOM 0 HB3 MET A 558 -19.288 5.085 3.952 1.00 0.00 H new ATOM 0 HG2 MET A 558 -20.434 5.495 1.989 1.00 0.00 H new ATOM 0 HG3 MET A 558 -21.704 4.343 2.352 1.00 0.00 H new ATOM 0 HE1 MET A 558 -24.488 6.673 3.024 1.00 0.00 H new ATOM 0 HE2 MET A 558 -23.687 5.860 1.658 1.00 0.00 H new ATOM 0 HE3 MET A 558 -23.984 4.972 3.172 1.00 0.00 H new ATOM 38 N ALA A 559 -17.511 3.360 3.730 1.00 0.00 N ATOM 39 CA ALA A 559 -16.147 3.264 3.226 1.00 0.00 C ATOM 40 C ALA A 559 -15.700 1.806 3.144 1.00 0.00 C ATOM 41 O ALA A 559 -16.144 0.970 3.931 1.00 0.00 O ATOM 42 CB ALA A 559 -15.201 4.059 4.114 1.00 0.00 C ATOM 0 H ALA A 559 -17.594 3.818 4.638 1.00 0.00 H new ATOM 0 HA ALA A 559 -16.122 3.685 2.221 1.00 0.00 H new ATOM 0 HB1 ALA A 559 -14.185 3.979 3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 559 -15.505 5.106 4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 559 -15.235 3.662 5.129 1.00 0.00 H new ATOM 48 N PRO A 560 -14.809 1.479 2.189 1.00 0.00 N ATOM 49 CA PRO A 560 -14.307 0.111 2.016 1.00 0.00 C ATOM 50 C PRO A 560 -13.532 -0.378 3.235 1.00 0.00 C ATOM 51 O PRO A 560 -13.320 0.372 4.189 1.00 0.00 O ATOM 52 CB PRO A 560 -13.387 0.209 0.797 1.00 0.00 C ATOM 53 CG PRO A 560 -13.036 1.653 0.688 1.00 0.00 C ATOM 54 CD PRO A 560 -14.224 2.409 1.209 1.00 0.00 C ATOM 0 HA PRO A 560 -15.119 -0.604 1.888 1.00 0.00 H new ATOM 0 HB2 PRO A 560 -12.495 -0.404 0.926 1.00 0.00 H new ATOM 0 HB3 PRO A 560 -13.888 -0.144 -0.104 1.00 0.00 H new ATOM 0 HG2 PRO A 560 -12.143 1.882 1.269 1.00 0.00 H new ATOM 0 HG3 PRO A 560 -12.823 1.926 -0.346 1.00 0.00 H new ATOM 0 HD2 PRO A 560 -13.931 3.351 1.673 1.00 0.00 H new ATOM 0 HD3 PRO A 560 -14.928 2.651 0.413 1.00 0.00 H new ATOM 62 N THR A 561 -13.113 -1.640 3.200 1.00 0.00 N ATOM 63 CA THR A 561 -12.365 -2.228 4.305 1.00 0.00 C ATOM 64 C THR A 561 -10.882 -1.890 4.211 1.00 0.00 C ATOM 65 O THR A 561 -10.282 -1.968 3.139 1.00 0.00 O ATOM 66 CB THR A 561 -12.532 -3.758 4.349 1.00 0.00 C ATOM 67 OG1 THR A 561 -13.922 -4.101 4.326 1.00 0.00 O ATOM 68 CG2 THR A 561 -11.884 -4.338 5.597 1.00 0.00 C ATOM 0 H THR A 561 -13.279 -2.274 2.418 1.00 0.00 H new ATOM 0 HA THR A 561 -12.772 -1.801 5.221 1.00 0.00 H new ATOM 0 HB THR A 561 -12.039 -4.179 3.473 1.00 0.00 H new ATOM 0 HG1 THR A 561 -14.019 -5.076 4.353 1.00 0.00 H new ATOM 0 HG21 THR A 561 -12.015 -5.420 5.606 1.00 0.00 H new ATOM 0 HG22 THR A 561 -10.820 -4.101 5.598 1.00 0.00 H new ATOM 0 HG23 THR A 561 -12.352 -3.909 6.483 1.00 0.00 H new ATOM 76 N ALA A 562 -10.298 -1.509 5.343 1.00 0.00 N ATOM 77 CA ALA A 562 -8.886 -1.151 5.400 1.00 0.00 C ATOM 78 C ALA A 562 -7.989 -2.373 5.219 1.00 0.00 C ATOM 79 O ALA A 562 -8.130 -3.368 5.933 1.00 0.00 O ATOM 80 CB ALA A 562 -8.572 -0.466 6.720 1.00 0.00 C ATOM 0 H ALA A 562 -10.784 -1.440 6.237 1.00 0.00 H new ATOM 0 HA ALA A 562 -8.684 -0.463 4.579 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -7.515 -0.203 6.751 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -9.173 0.438 6.813 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -8.802 -1.141 7.544 1.00 0.00 H new ATOM 86 N PRO A 563 -7.039 -2.308 4.268 1.00 0.00 N ATOM 87 CA PRO A 563 -6.102 -3.406 4.003 1.00 0.00 C ATOM 88 C PRO A 563 -5.410 -3.880 5.275 1.00 0.00 C ATOM 89 O PRO A 563 -5.393 -3.173 6.283 1.00 0.00 O ATOM 90 CB PRO A 563 -5.080 -2.781 3.050 1.00 0.00 C ATOM 91 CG PRO A 563 -5.818 -1.679 2.372 1.00 0.00 C ATOM 92 CD PRO A 563 -6.798 -1.152 3.383 1.00 0.00 C ATOM 0 HA PRO A 563 -6.604 -4.284 3.595 1.00 0.00 H new ATOM 0 HB2 PRO A 563 -4.213 -2.402 3.592 1.00 0.00 H new ATOM 0 HB3 PRO A 563 -4.711 -3.512 2.330 1.00 0.00 H new ATOM 0 HG2 PRO A 563 -5.135 -0.895 2.046 1.00 0.00 H new ATOM 0 HG3 PRO A 563 -6.333 -2.043 1.483 1.00 0.00 H new ATOM 0 HD2 PRO A 563 -6.390 -0.304 3.933 1.00 0.00 H new ATOM 0 HD3 PRO A 563 -7.719 -0.811 2.909 1.00 0.00 H new ATOM 100 N THR A 564 -4.840 -5.077 5.224 1.00 0.00 N ATOM 101 CA THR A 564 -4.148 -5.634 6.377 1.00 0.00 C ATOM 102 C THR A 564 -3.178 -6.732 5.962 1.00 0.00 C ATOM 103 O THR A 564 -3.193 -7.188 4.818 1.00 0.00 O ATOM 104 CB THR A 564 -5.140 -6.202 7.405 1.00 0.00 C ATOM 105 OG1 THR A 564 -4.432 -6.754 8.522 1.00 0.00 O ATOM 106 CG2 THR A 564 -6.013 -7.271 6.774 1.00 0.00 C ATOM 0 H THR A 564 -4.843 -5.678 4.400 1.00 0.00 H new ATOM 0 HA THR A 564 -3.590 -4.817 6.834 1.00 0.00 H new ATOM 0 HB THR A 564 -5.778 -5.388 7.750 1.00 0.00 H new ATOM 0 HG1 THR A 564 -5.073 -7.111 9.171 1.00 0.00 H new ATOM 0 HG21 THR A 564 -6.708 -7.660 7.519 1.00 0.00 H new ATOM 0 HG22 THR A 564 -6.574 -6.840 5.945 1.00 0.00 H new ATOM 0 HG23 THR A 564 -5.385 -8.082 6.405 1.00 0.00 H new ATOM 114 N ASN A 565 -2.340 -7.155 6.903 1.00 0.00 N ATOM 115 CA ASN A 565 -1.363 -8.205 6.650 1.00 0.00 C ATOM 116 C ASN A 565 -0.433 -7.833 5.497 1.00 0.00 C ATOM 117 O ASN A 565 0.007 -8.701 4.742 1.00 0.00 O ATOM 118 CB ASN A 565 -2.073 -9.524 6.347 1.00 0.00 C ATOM 119 CG ASN A 565 -2.396 -10.309 7.604 1.00 0.00 C ATOM 120 OD1 ASN A 565 -2.658 -9.733 8.660 1.00 0.00 O ATOM 121 ND2 ASN A 565 -2.380 -11.632 7.496 1.00 0.00 N ATOM 0 H ASN A 565 -2.319 -6.783 7.853 1.00 0.00 H new ATOM 0 HA ASN A 565 -0.756 -8.322 7.548 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -2.995 -9.320 5.802 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -1.444 -10.130 5.695 1.00 0.00 H new ATOM 0 HD21 ASN A 565 -2.590 -12.213 8.308 1.00 0.00 H new ATOM 0 HD22 ASN A 565 -2.158 -12.068 6.601 1.00 0.00 H new ATOM 128 N LEU A 566 -0.131 -6.542 5.369 1.00 0.00 N ATOM 129 CA LEU A 566 0.755 -6.071 4.309 1.00 0.00 C ATOM 130 C LEU A 566 2.129 -6.715 4.443 1.00 0.00 C ATOM 131 O LEU A 566 2.500 -7.186 5.519 1.00 0.00 O ATOM 132 CB LEU A 566 0.887 -4.545 4.345 1.00 0.00 C ATOM 133 CG LEU A 566 1.904 -3.961 3.358 1.00 0.00 C ATOM 134 CD1 LEU A 566 1.454 -4.188 1.925 1.00 0.00 C ATOM 135 CD2 LEU A 566 2.115 -2.481 3.621 1.00 0.00 C ATOM 0 H LEU A 566 -0.485 -5.808 5.983 1.00 0.00 H new ATOM 0 HA LEU A 566 0.319 -6.357 3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -0.089 -4.106 4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 566 1.167 -4.243 5.354 1.00 0.00 H new ATOM 0 HG LEU A 566 2.854 -4.475 3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 566 2.190 -3.766 1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 566 1.358 -5.258 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 566 0.491 -3.704 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 566 2.840 -2.085 2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 566 1.169 -1.953 3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 566 2.488 -2.341 4.636 1.00 0.00 H new ATOM 147 N ALA A 567 2.881 -6.736 3.349 1.00 0.00 N ATOM 148 CA ALA A 567 4.212 -7.328 3.357 1.00 0.00 C ATOM 149 C ALA A 567 5.045 -6.850 2.172 1.00 0.00 C ATOM 150 O ALA A 567 4.543 -6.167 1.280 1.00 0.00 O ATOM 151 CB ALA A 567 4.113 -8.846 3.357 1.00 0.00 C ATOM 0 H ALA A 567 2.593 -6.352 2.449 1.00 0.00 H new ATOM 0 HA ALA A 567 4.716 -7.004 4.268 1.00 0.00 H new ATOM 0 HB1 ALA A 567 5.115 -9.276 3.363 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.571 -9.175 4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 567 3.582 -9.176 2.464 1.00 0.00 H new ATOM 157 N SER A 568 6.319 -7.230 2.169 1.00 0.00 N ATOM 158 CA SER A 568 7.232 -6.858 1.095 1.00 0.00 C ATOM 159 C SER A 568 7.961 -8.090 0.567 1.00 0.00 C ATOM 160 O SER A 568 8.549 -8.849 1.337 1.00 0.00 O ATOM 161 CB SER A 568 8.243 -5.822 1.589 1.00 0.00 C ATOM 162 OG SER A 568 8.703 -6.138 2.890 1.00 0.00 O ATOM 0 H SER A 568 6.743 -7.798 2.902 1.00 0.00 H new ATOM 0 HA SER A 568 6.650 -6.420 0.284 1.00 0.00 H new ATOM 0 HB2 SER A 568 9.088 -5.778 0.902 1.00 0.00 H new ATOM 0 HB3 SER A 568 7.783 -4.834 1.593 1.00 0.00 H new ATOM 0 HG SER A 568 8.847 -7.105 2.960 1.00 0.00 H new ATOM 168 N THR A 569 7.911 -8.290 -0.746 1.00 0.00 N ATOM 169 CA THR A 569 8.561 -9.439 -1.367 1.00 0.00 C ATOM 170 C THR A 569 9.823 -9.033 -2.125 1.00 0.00 C ATOM 171 O THR A 569 10.931 -9.123 -1.596 1.00 0.00 O ATOM 172 CB THR A 569 7.609 -10.169 -2.332 1.00 0.00 C ATOM 173 OG1 THR A 569 6.673 -9.241 -2.895 1.00 0.00 O ATOM 174 CG2 THR A 569 6.856 -11.280 -1.615 1.00 0.00 C ATOM 0 H THR A 569 7.428 -7.673 -1.399 1.00 0.00 H new ATOM 0 HA THR A 569 8.837 -10.113 -0.556 1.00 0.00 H new ATOM 0 HB THR A 569 8.207 -10.611 -3.129 1.00 0.00 H new ATOM 0 HG1 THR A 569 6.073 -9.714 -3.509 1.00 0.00 H new ATOM 0 HG21 THR A 569 6.190 -11.781 -2.318 1.00 0.00 H new ATOM 0 HG22 THR A 569 7.568 -12.001 -1.213 1.00 0.00 H new ATOM 0 HG23 THR A 569 6.270 -10.855 -0.800 1.00 0.00 H new ATOM 182 N ALA A 570 9.649 -8.594 -3.369 1.00 0.00 N ATOM 183 CA ALA A 570 10.776 -8.184 -4.201 1.00 0.00 C ATOM 184 C ALA A 570 11.149 -6.727 -3.955 1.00 0.00 C ATOM 185 O ALA A 570 10.548 -5.818 -4.526 1.00 0.00 O ATOM 186 CB ALA A 570 10.452 -8.404 -5.671 1.00 0.00 C ATOM 0 H ALA A 570 8.739 -8.513 -3.822 1.00 0.00 H new ATOM 0 HA ALA A 570 11.634 -8.799 -3.929 1.00 0.00 H new ATOM 0 HB1 ALA A 570 11.301 -8.094 -6.281 1.00 0.00 H new ATOM 0 HB2 ALA A 570 10.247 -9.460 -5.844 1.00 0.00 H new ATOM 0 HB3 ALA A 570 9.576 -7.815 -5.943 1.00 0.00 H new ATOM 192 N GLN A 571 12.150 -6.512 -3.107 1.00 0.00 N ATOM 193 CA GLN A 571 12.608 -5.164 -2.791 1.00 0.00 C ATOM 194 C GLN A 571 14.065 -4.979 -3.202 1.00 0.00 C ATOM 195 O GLN A 571 14.975 -5.499 -2.556 1.00 0.00 O ATOM 196 CB GLN A 571 12.440 -4.881 -1.297 1.00 0.00 C ATOM 197 CG GLN A 571 13.072 -3.574 -0.848 1.00 0.00 C ATOM 198 CD GLN A 571 14.166 -3.778 0.180 1.00 0.00 C ATOM 199 OE1 GLN A 571 13.904 -3.835 1.381 1.00 0.00 O ATOM 200 NE2 GLN A 571 15.405 -3.887 -0.287 1.00 0.00 N ATOM 0 H GLN A 571 12.659 -7.254 -2.627 1.00 0.00 H new ATOM 0 HA GLN A 571 11.999 -4.456 -3.353 1.00 0.00 H new ATOM 0 HB2 GLN A 571 11.377 -4.861 -1.057 1.00 0.00 H new ATOM 0 HB3 GLN A 571 12.880 -5.701 -0.729 1.00 0.00 H new ATOM 0 HG2 GLN A 571 13.485 -3.058 -1.715 1.00 0.00 H new ATOM 0 HG3 GLN A 571 12.301 -2.927 -0.429 1.00 0.00 H new ATOM 0 HE21 GLN A 571 15.578 -3.834 -1.291 1.00 0.00 H new ATOM 0 HE22 GLN A 571 16.183 -4.024 0.358 1.00 0.00 H new ATOM 209 N THR A 572 14.278 -4.233 -4.282 1.00 0.00 N ATOM 210 CA THR A 572 15.622 -3.975 -4.784 1.00 0.00 C ATOM 211 C THR A 572 16.156 -2.643 -4.261 1.00 0.00 C ATOM 212 O THR A 572 15.709 -2.152 -3.225 1.00 0.00 O ATOM 213 CB THR A 572 15.651 -3.969 -6.325 1.00 0.00 C ATOM 214 OG1 THR A 572 14.930 -2.838 -6.825 1.00 0.00 O ATOM 215 CG2 THR A 572 15.044 -5.250 -6.882 1.00 0.00 C ATOM 0 H THR A 572 13.535 -3.796 -4.827 1.00 0.00 H new ATOM 0 HA THR A 572 16.261 -4.781 -4.423 1.00 0.00 H new ATOM 0 HB THR A 572 16.691 -3.907 -6.646 1.00 0.00 H new ATOM 0 HG1 THR A 572 13.989 -2.906 -6.558 1.00 0.00 H new ATOM 0 HG21 THR A 572 15.075 -5.224 -7.971 1.00 0.00 H new ATOM 0 HG22 THR A 572 15.613 -6.108 -6.523 1.00 0.00 H new ATOM 0 HG23 THR A 572 14.009 -5.336 -6.551 1.00 0.00 H new ATOM 223 N THR A 573 17.114 -2.063 -4.980 1.00 0.00 N ATOM 224 CA THR A 573 17.705 -0.791 -4.579 1.00 0.00 C ATOM 225 C THR A 573 17.097 0.375 -5.352 1.00 0.00 C ATOM 226 O THR A 573 17.722 1.427 -5.498 1.00 0.00 O ATOM 227 CB THR A 573 19.230 -0.788 -4.790 1.00 0.00 C ATOM 228 OG1 THR A 573 19.535 -0.980 -6.176 1.00 0.00 O ATOM 229 CG2 THR A 573 19.893 -1.879 -3.965 1.00 0.00 C ATOM 0 H THR A 573 17.496 -2.453 -5.841 1.00 0.00 H new ATOM 0 HA THR A 573 17.489 -0.669 -3.518 1.00 0.00 H new ATOM 0 HB THR A 573 19.616 0.178 -4.464 1.00 0.00 H new ATOM 0 HG1 THR A 573 20.507 -0.975 -6.301 1.00 0.00 H new ATOM 0 HG21 THR A 573 20.970 -1.857 -4.131 1.00 0.00 H new ATOM 0 HG22 THR A 573 19.685 -1.713 -2.908 1.00 0.00 H new ATOM 0 HG23 THR A 573 19.500 -2.851 -4.264 1.00 0.00 H new ATOM 237 N SER A 574 15.877 0.186 -5.845 1.00 0.00 N ATOM 238 CA SER A 574 15.191 1.227 -6.603 1.00 0.00 C ATOM 239 C SER A 574 13.700 0.933 -6.715 1.00 0.00 C ATOM 240 O SER A 574 12.869 1.833 -6.584 1.00 0.00 O ATOM 241 CB SER A 574 15.802 1.355 -8.000 1.00 0.00 C ATOM 242 OG SER A 574 15.662 0.148 -8.729 1.00 0.00 O ATOM 0 H SER A 574 15.344 -0.676 -5.734 1.00 0.00 H new ATOM 0 HA SER A 574 15.316 2.169 -6.068 1.00 0.00 H new ATOM 0 HB2 SER A 574 15.317 2.168 -8.540 1.00 0.00 H new ATOM 0 HB3 SER A 574 16.858 1.613 -7.917 1.00 0.00 H new ATOM 0 HG SER A 574 16.058 0.255 -9.619 1.00 0.00 H new ATOM 248 N SER A 575 13.366 -0.328 -6.967 1.00 0.00 N ATOM 249 CA SER A 575 11.973 -0.739 -7.105 1.00 0.00 C ATOM 250 C SER A 575 11.595 -1.774 -6.051 1.00 0.00 C ATOM 251 O SER A 575 12.277 -2.786 -5.888 1.00 0.00 O ATOM 252 CB SER A 575 11.732 -1.310 -8.504 1.00 0.00 C ATOM 253 OG SER A 575 12.594 -0.712 -9.455 1.00 0.00 O ATOM 0 H SER A 575 14.041 -1.084 -7.080 1.00 0.00 H new ATOM 0 HA SER A 575 11.346 0.140 -6.958 1.00 0.00 H new ATOM 0 HB2 SER A 575 11.891 -2.388 -8.492 1.00 0.00 H new ATOM 0 HB3 SER A 575 10.695 -1.144 -8.794 1.00 0.00 H new ATOM 0 HG SER A 575 12.421 -1.096 -10.340 1.00 0.00 H new ATOM 259 N ILE A 576 10.498 -1.517 -5.342 1.00 0.00 N ATOM 260 CA ILE A 576 10.025 -2.428 -4.307 1.00 0.00 C ATOM 261 C ILE A 576 8.628 -2.952 -4.630 1.00 0.00 C ATOM 262 O ILE A 576 7.809 -2.242 -5.214 1.00 0.00 O ATOM 263 CB ILE A 576 9.997 -1.746 -2.923 1.00 0.00 C ATOM 264 CG1 ILE A 576 9.537 -2.735 -1.848 1.00 0.00 C ATOM 265 CG2 ILE A 576 9.089 -0.522 -2.952 1.00 0.00 C ATOM 266 CD1 ILE A 576 9.501 -2.148 -0.453 1.00 0.00 C ATOM 0 H ILE A 576 9.921 -0.685 -5.467 1.00 0.00 H new ATOM 0 HA ILE A 576 10.726 -3.262 -4.278 1.00 0.00 H new ATOM 0 HB ILE A 576 11.007 -1.418 -2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 576 8.542 -3.099 -2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 576 10.203 -3.598 -1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 576 9.080 -0.052 -1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 576 9.460 0.189 -3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 576 8.077 -0.826 -3.218 1.00 0.00 H new ATOM 0 HD11 ILE A 576 9.166 -2.908 0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 576 10.499 -1.809 -0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 576 8.812 -1.304 -0.431 1.00 0.00 H new ATOM 278 N THR A 577 8.364 -4.194 -4.241 1.00 0.00 N ATOM 279 CA THR A 577 7.065 -4.813 -4.479 1.00 0.00 C ATOM 280 C THR A 577 6.328 -5.036 -3.163 1.00 0.00 C ATOM 281 O THR A 577 6.898 -5.557 -2.204 1.00 0.00 O ATOM 282 CB THR A 577 7.205 -6.161 -5.213 1.00 0.00 C ATOM 283 OG1 THR A 577 7.973 -5.991 -6.409 1.00 0.00 O ATOM 284 CG2 THR A 577 5.837 -6.729 -5.563 1.00 0.00 C ATOM 0 H THR A 577 9.034 -4.793 -3.758 1.00 0.00 H new ATOM 0 HA THR A 577 6.495 -4.130 -5.109 1.00 0.00 H new ATOM 0 HB THR A 577 7.715 -6.859 -4.550 1.00 0.00 H new ATOM 0 HG1 THR A 577 7.925 -6.809 -6.947 1.00 0.00 H new ATOM 0 HG21 THR A 577 5.960 -7.680 -6.080 1.00 0.00 H new ATOM 0 HG22 THR A 577 5.263 -6.884 -4.650 1.00 0.00 H new ATOM 0 HG23 THR A 577 5.307 -6.030 -6.210 1.00 0.00 H new ATOM 292 N LEU A 578 5.064 -4.630 -3.120 1.00 0.00 N ATOM 293 CA LEU A 578 4.255 -4.778 -1.916 1.00 0.00 C ATOM 294 C LEU A 578 3.055 -5.686 -2.164 1.00 0.00 C ATOM 295 O LEU A 578 2.496 -5.707 -3.260 1.00 0.00 O ATOM 296 CB LEU A 578 3.783 -3.402 -1.431 1.00 0.00 C ATOM 297 CG LEU A 578 4.225 -3.002 -0.017 1.00 0.00 C ATOM 298 CD1 LEU A 578 5.638 -3.489 0.280 1.00 0.00 C ATOM 299 CD2 LEU A 578 4.145 -1.493 0.151 1.00 0.00 C ATOM 0 H LEU A 578 4.578 -4.196 -3.905 1.00 0.00 H new ATOM 0 HA LEU A 578 4.873 -5.240 -1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 578 4.144 -2.648 -2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 578 2.694 -3.378 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 578 3.549 -3.477 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 578 5.921 -3.190 1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 578 5.673 -4.576 0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 578 6.332 -3.051 -0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 578 4.461 -1.222 1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 578 4.798 -1.011 -0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 578 3.118 -1.163 -0.008 1.00 0.00 H new ATOM 311 N SER A 579 2.664 -6.431 -1.134 1.00 0.00 N ATOM 312 CA SER A 579 1.529 -7.342 -1.229 1.00 0.00 C ATOM 313 C SER A 579 0.715 -7.316 0.060 1.00 0.00 C ATOM 314 O SER A 579 1.275 -7.253 1.154 1.00 0.00 O ATOM 315 CB SER A 579 2.010 -8.766 -1.512 1.00 0.00 C ATOM 316 OG SER A 579 0.927 -9.613 -1.854 1.00 0.00 O ATOM 0 H SER A 579 3.119 -6.421 -0.221 1.00 0.00 H new ATOM 0 HA SER A 579 0.895 -7.014 -2.052 1.00 0.00 H new ATOM 0 HB2 SER A 579 2.736 -8.753 -2.325 1.00 0.00 H new ATOM 0 HB3 SER A 579 2.521 -9.161 -0.634 1.00 0.00 H new ATOM 0 HG SER A 579 1.262 -10.517 -2.032 1.00 0.00 H new ATOM 322 N TRP A 580 -0.606 -7.358 -0.072 1.00 0.00 N ATOM 323 CA TRP A 580 -1.489 -7.330 1.089 1.00 0.00 C ATOM 324 C TRP A 580 -2.837 -7.970 0.774 1.00 0.00 C ATOM 325 O TRP A 580 -3.145 -8.256 -0.383 1.00 0.00 O ATOM 326 CB TRP A 580 -1.697 -5.889 1.558 1.00 0.00 C ATOM 327 CG TRP A 580 -2.347 -5.022 0.524 1.00 0.00 C ATOM 328 CD1 TRP A 580 -3.672 -4.703 0.434 1.00 0.00 C ATOM 329 CD2 TRP A 580 -1.703 -4.369 -0.573 1.00 0.00 C ATOM 330 NE1 TRP A 580 -3.890 -3.888 -0.652 1.00 0.00 N ATOM 331 CE2 TRP A 580 -2.695 -3.669 -1.286 1.00 0.00 C ATOM 332 CE3 TRP A 580 -0.381 -4.306 -1.021 1.00 0.00 C ATOM 333 CZ2 TRP A 580 -2.404 -2.918 -2.422 1.00 0.00 C ATOM 334 CZ3 TRP A 580 -0.093 -3.561 -2.148 1.00 0.00 C ATOM 335 CH2 TRP A 580 -1.100 -2.874 -2.837 1.00 0.00 C ATOM 0 H TRP A 580 -1.089 -7.411 -0.969 1.00 0.00 H new ATOM 0 HA TRP A 580 -1.015 -7.905 1.884 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -2.310 -5.892 2.459 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -0.733 -5.459 1.830 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -4.437 -5.042 1.117 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -4.793 -3.509 -0.938 1.00 0.00 H new ATOM 0 HE3 TRP A 580 0.403 -4.831 -0.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -3.179 -2.389 -2.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 0.925 -3.508 -2.504 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -0.843 -2.298 -3.713 1.00 0.00 H new ATOM 346 N THR A 581 -3.636 -8.187 1.813 1.00 0.00 N ATOM 347 CA THR A 581 -4.952 -8.790 1.653 1.00 0.00 C ATOM 348 C THR A 581 -5.989 -7.747 1.251 1.00 0.00 C ATOM 349 O THR A 581 -6.147 -6.725 1.918 1.00 0.00 O ATOM 350 CB THR A 581 -5.413 -9.487 2.946 1.00 0.00 C ATOM 351 OG1 THR A 581 -4.340 -9.516 3.895 1.00 0.00 O ATOM 352 CG2 THR A 581 -5.878 -10.907 2.659 1.00 0.00 C ATOM 0 H THR A 581 -3.394 -7.954 2.776 1.00 0.00 H new ATOM 0 HA THR A 581 -4.864 -9.534 0.862 1.00 0.00 H new ATOM 0 HB THR A 581 -6.250 -8.923 3.358 1.00 0.00 H new ATOM 0 HG1 THR A 581 -4.169 -8.609 4.223 1.00 0.00 H new ATOM 0 HG21 THR A 581 -6.199 -11.379 3.587 1.00 0.00 H new ATOM 0 HG22 THR A 581 -6.712 -10.882 1.957 1.00 0.00 H new ATOM 0 HG23 THR A 581 -5.057 -11.478 2.226 1.00 0.00 H new ATOM 360 N ALA A 582 -6.693 -8.016 0.156 1.00 0.00 N ATOM 361 CA ALA A 582 -7.715 -7.104 -0.341 1.00 0.00 C ATOM 362 C ALA A 582 -8.833 -6.921 0.680 1.00 0.00 C ATOM 363 O ALA A 582 -8.953 -7.695 1.630 1.00 0.00 O ATOM 364 CB ALA A 582 -8.280 -7.614 -1.658 1.00 0.00 C ATOM 0 H ALA A 582 -6.573 -8.860 -0.404 1.00 0.00 H new ATOM 0 HA ALA A 582 -7.249 -6.133 -0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 582 -9.043 -6.924 -2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 582 -7.479 -7.686 -2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 582 -8.724 -8.598 -1.507 1.00 0.00 H new ATOM 370 N SER A 583 -9.646 -5.890 0.478 1.00 0.00 N ATOM 371 CA SER A 583 -10.755 -5.601 1.379 1.00 0.00 C ATOM 372 C SER A 583 -11.878 -6.618 1.205 1.00 0.00 C ATOM 373 O SER A 583 -11.992 -7.259 0.159 1.00 0.00 O ATOM 374 CB SER A 583 -11.287 -4.190 1.126 1.00 0.00 C ATOM 375 OG SER A 583 -11.325 -3.900 -0.260 1.00 0.00 O ATOM 0 H SER A 583 -9.557 -5.240 -0.303 1.00 0.00 H new ATOM 0 HA SER A 583 -10.386 -5.667 2.403 1.00 0.00 H new ATOM 0 HB2 SER A 583 -12.287 -4.094 1.548 1.00 0.00 H new ATOM 0 HB3 SER A 583 -10.655 -3.463 1.636 1.00 0.00 H new ATOM 0 HG SER A 583 -10.809 -3.086 -0.438 1.00 0.00 H new ATOM 381 N THR A 584 -12.706 -6.759 2.234 1.00 0.00 N ATOM 382 CA THR A 584 -13.823 -7.694 2.197 1.00 0.00 C ATOM 383 C THR A 584 -15.046 -7.055 1.553 1.00 0.00 C ATOM 384 O THR A 584 -16.080 -7.701 1.381 1.00 0.00 O ATOM 385 CB THR A 584 -14.194 -8.182 3.609 1.00 0.00 C ATOM 386 OG1 THR A 584 -13.225 -7.720 4.557 1.00 0.00 O ATOM 387 CG2 THR A 584 -14.270 -9.700 3.654 1.00 0.00 C ATOM 0 H THR A 584 -12.624 -6.236 3.106 1.00 0.00 H new ATOM 0 HA THR A 584 -13.504 -8.549 1.600 1.00 0.00 H new ATOM 0 HB THR A 584 -15.173 -7.777 3.864 1.00 0.00 H new ATOM 0 HG1 THR A 584 -13.469 -8.033 5.453 1.00 0.00 H new ATOM 0 HG21 THR A 584 -14.534 -10.021 4.662 1.00 0.00 H new ATOM 0 HG22 THR A 584 -15.028 -10.047 2.952 1.00 0.00 H new ATOM 0 HG23 THR A 584 -13.303 -10.121 3.380 1.00 0.00 H new ATOM 395 N ASP A 585 -14.920 -5.781 1.199 1.00 0.00 N ATOM 396 CA ASP A 585 -16.011 -5.046 0.573 1.00 0.00 C ATOM 397 C ASP A 585 -15.575 -4.474 -0.773 1.00 0.00 C ATOM 398 O ASP A 585 -15.690 -3.273 -1.018 1.00 0.00 O ATOM 399 CB ASP A 585 -16.490 -3.923 1.494 1.00 0.00 C ATOM 400 CG ASP A 585 -17.256 -4.449 2.692 1.00 0.00 C ATOM 401 OD1 ASP A 585 -18.263 -5.159 2.488 1.00 0.00 O ATOM 402 OD2 ASP A 585 -16.848 -4.152 3.835 1.00 0.00 O ATOM 0 H ASP A 585 -14.070 -5.235 1.336 1.00 0.00 H new ATOM 0 HA ASP A 585 -16.836 -5.737 0.402 1.00 0.00 H new ATOM 0 HB2 ASP A 585 -15.631 -3.348 1.839 1.00 0.00 H new ATOM 0 HB3 ASP A 585 -17.126 -3.240 0.930 1.00 0.00 H new ATOM 407 N ASN A 586 -15.071 -5.348 -1.640 1.00 0.00 N ATOM 408 CA ASN A 586 -14.612 -4.944 -2.965 1.00 0.00 C ATOM 409 C ASN A 586 -15.794 -4.653 -3.887 1.00 0.00 C ATOM 410 O ASN A 586 -15.614 -4.323 -5.060 1.00 0.00 O ATOM 411 CB ASN A 586 -13.731 -6.039 -3.568 1.00 0.00 C ATOM 412 CG ASN A 586 -13.162 -5.655 -4.920 1.00 0.00 C ATOM 413 OD1 ASN A 586 -13.436 -6.304 -5.928 1.00 0.00 O ATOM 414 ND2 ASN A 586 -12.366 -4.593 -4.946 1.00 0.00 N ATOM 0 H ASN A 586 -14.970 -6.345 -1.447 1.00 0.00 H new ATOM 0 HA ASN A 586 -14.028 -4.030 -2.862 1.00 0.00 H new ATOM 0 HB2 ASN A 586 -12.912 -6.259 -2.883 1.00 0.00 H new ATOM 0 HB3 ASN A 586 -14.315 -6.954 -3.671 1.00 0.00 H new ATOM 0 HD21 ASN A 586 -11.954 -4.286 -5.827 1.00 0.00 H new ATOM 0 HD22 ASN A 586 -12.166 -4.084 -4.085 1.00 0.00 H new ATOM 421 N VAL A 587 -17.003 -4.778 -3.348 1.00 0.00 N ATOM 422 CA VAL A 587 -18.218 -4.530 -4.117 1.00 0.00 C ATOM 423 C VAL A 587 -18.266 -3.093 -4.631 1.00 0.00 C ATOM 424 O VAL A 587 -19.063 -2.766 -5.511 1.00 0.00 O ATOM 425 CB VAL A 587 -19.480 -4.805 -3.275 1.00 0.00 C ATOM 426 CG1 VAL A 587 -20.698 -4.969 -4.173 1.00 0.00 C ATOM 427 CG2 VAL A 587 -19.286 -6.037 -2.404 1.00 0.00 C ATOM 0 H VAL A 587 -17.168 -5.050 -2.379 1.00 0.00 H new ATOM 0 HA VAL A 587 -18.198 -5.213 -4.966 1.00 0.00 H new ATOM 0 HB VAL A 587 -19.649 -3.949 -2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 587 -21.578 -5.162 -3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 587 -20.850 -4.057 -4.750 1.00 0.00 H new ATOM 0 HG13 VAL A 587 -20.539 -5.806 -4.853 1.00 0.00 H new ATOM 0 HG21 VAL A 587 -20.188 -6.214 -1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 587 -19.089 -6.902 -3.037 1.00 0.00 H new ATOM 0 HG23 VAL A 587 -18.442 -5.879 -1.733 1.00 0.00 H new ATOM 437 N GLY A 588 -17.409 -2.239 -4.078 1.00 0.00 N ATOM 438 CA GLY A 588 -17.375 -0.849 -4.496 1.00 0.00 C ATOM 439 C GLY A 588 -15.963 -0.335 -4.702 1.00 0.00 C ATOM 440 O GLY A 588 -15.755 0.667 -5.386 1.00 0.00 O ATOM 0 H GLY A 588 -16.739 -2.484 -3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 588 -17.936 -0.739 -5.424 1.00 0.00 H new ATOM 0 HA3 GLY A 588 -17.875 -0.236 -3.746 1.00 0.00 H new ATOM 444 N VAL A 589 -14.992 -1.020 -4.106 1.00 0.00 N ATOM 445 CA VAL A 589 -13.590 -0.628 -4.223 1.00 0.00 C ATOM 446 C VAL A 589 -13.161 -0.562 -5.687 1.00 0.00 C ATOM 447 O VAL A 589 -13.670 -1.307 -6.525 1.00 0.00 O ATOM 448 CB VAL A 589 -12.672 -1.606 -3.465 1.00 0.00 C ATOM 449 CG1 VAL A 589 -11.240 -1.094 -3.442 1.00 0.00 C ATOM 450 CG2 VAL A 589 -13.186 -1.830 -2.051 1.00 0.00 C ATOM 0 H VAL A 589 -15.150 -1.851 -3.536 1.00 0.00 H new ATOM 0 HA VAL A 589 -13.494 0.362 -3.778 1.00 0.00 H new ATOM 0 HB VAL A 589 -12.681 -2.561 -3.990 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -10.610 -1.800 -2.902 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -10.875 -0.989 -4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -11.208 -0.125 -2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -12.526 -2.523 -1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -13.209 -0.880 -1.517 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -14.192 -2.248 -2.091 1.00 0.00 H new ATOM 460 N THR A 590 -12.230 0.339 -5.990 1.00 0.00 N ATOM 461 CA THR A 590 -11.746 0.503 -7.355 1.00 0.00 C ATOM 462 C THR A 590 -10.221 0.504 -7.420 1.00 0.00 C ATOM 463 O THR A 590 -9.640 0.221 -8.467 1.00 0.00 O ATOM 464 CB THR A 590 -12.273 1.809 -7.981 1.00 0.00 C ATOM 465 OG1 THR A 590 -11.593 2.935 -7.413 1.00 0.00 O ATOM 466 CG2 THR A 590 -13.770 1.948 -7.759 1.00 0.00 C ATOM 0 H THR A 590 -11.798 0.964 -5.310 1.00 0.00 H new ATOM 0 HA THR A 590 -12.123 -0.349 -7.920 1.00 0.00 H new ATOM 0 HB THR A 590 -12.082 1.775 -9.054 1.00 0.00 H new ATOM 0 HG1 THR A 590 -11.682 3.707 -8.011 1.00 0.00 H new ATOM 0 HG21 THR A 590 -14.120 2.877 -8.209 1.00 0.00 H new ATOM 0 HG22 THR A 590 -14.286 1.105 -8.219 1.00 0.00 H new ATOM 0 HG23 THR A 590 -13.979 1.962 -6.689 1.00 0.00 H new ATOM 474 N GLY A 591 -9.574 0.823 -6.301 1.00 0.00 N ATOM 475 CA GLY A 591 -8.121 0.851 -6.275 1.00 0.00 C ATOM 476 C GLY A 591 -7.553 0.889 -4.869 1.00 0.00 C ATOM 477 O GLY A 591 -8.297 0.909 -3.889 1.00 0.00 O ATOM 0 H GLY A 591 -10.026 1.061 -5.418 1.00 0.00 H new ATOM 0 HA2 GLY A 591 -7.737 -0.028 -6.792 1.00 0.00 H new ATOM 0 HA3 GLY A 591 -7.770 1.723 -6.826 1.00 0.00 H new ATOM 481 N TYR A 592 -6.225 0.897 -4.773 1.00 0.00 N ATOM 482 CA TYR A 592 -5.544 0.931 -3.483 1.00 0.00 C ATOM 483 C TYR A 592 -4.370 1.906 -3.513 1.00 0.00 C ATOM 484 O TYR A 592 -3.467 1.776 -4.341 1.00 0.00 O ATOM 485 CB TYR A 592 -5.041 -0.467 -3.108 1.00 0.00 C ATOM 486 CG TYR A 592 -6.140 -1.496 -2.954 1.00 0.00 C ATOM 487 CD1 TYR A 592 -6.660 -2.154 -4.062 1.00 0.00 C ATOM 488 CD2 TYR A 592 -6.658 -1.808 -1.704 1.00 0.00 C ATOM 489 CE1 TYR A 592 -7.664 -3.093 -3.927 1.00 0.00 C ATOM 490 CE2 TYR A 592 -7.663 -2.747 -1.562 1.00 0.00 C ATOM 491 CZ TYR A 592 -8.160 -3.387 -2.670 1.00 0.00 C ATOM 492 OH TYR A 592 -9.159 -4.324 -2.539 1.00 0.00 O ATOM 0 H TYR A 592 -5.598 0.880 -5.577 1.00 0.00 H new ATOM 0 HA TYR A 592 -6.261 1.268 -2.734 1.00 0.00 H new ATOM 0 HB2 TYR A 592 -4.343 -0.808 -3.873 1.00 0.00 H new ATOM 0 HB3 TYR A 592 -4.484 -0.403 -2.173 1.00 0.00 H new ATOM 0 HD1 TYR A 592 -6.273 -1.928 -5.044 1.00 0.00 H new ATOM 0 HD2 TYR A 592 -6.270 -1.309 -0.828 1.00 0.00 H new ATOM 0 HE1 TYR A 592 -8.059 -3.595 -4.798 1.00 0.00 H new ATOM 0 HE2 TYR A 592 -8.056 -2.976 -0.582 1.00 0.00 H new ATOM 0 HH TYR A 592 -9.796 -4.029 -1.855 1.00 0.00 H new ATOM 502 N ASP A 593 -4.379 2.873 -2.600 1.00 0.00 N ATOM 503 CA ASP A 593 -3.306 3.856 -2.523 1.00 0.00 C ATOM 504 C ASP A 593 -2.324 3.486 -1.420 1.00 0.00 C ATOM 505 O ASP A 593 -2.720 3.235 -0.282 1.00 0.00 O ATOM 506 CB ASP A 593 -3.877 5.262 -2.281 1.00 0.00 C ATOM 507 CG ASP A 593 -3.643 5.770 -0.870 1.00 0.00 C ATOM 508 OD1 ASP A 593 -2.474 6.045 -0.526 1.00 0.00 O ATOM 509 OD2 ASP A 593 -4.626 5.889 -0.108 1.00 0.00 O ATOM 0 H ASP A 593 -5.116 2.996 -1.905 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.775 3.859 -3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -3.426 5.957 -2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -4.948 5.251 -2.483 1.00 0.00 H new ATOM 514 N VAL A 594 -1.042 3.448 -1.762 1.00 0.00 N ATOM 515 CA VAL A 594 -0.015 3.107 -0.795 1.00 0.00 C ATOM 516 C VAL A 594 0.730 4.355 -0.331 1.00 0.00 C ATOM 517 O VAL A 594 1.154 5.177 -1.143 1.00 0.00 O ATOM 518 CB VAL A 594 0.974 2.067 -1.372 1.00 0.00 C ATOM 519 CG1 VAL A 594 0.818 1.955 -2.878 1.00 0.00 C ATOM 520 CG2 VAL A 594 2.416 2.392 -1.000 1.00 0.00 C ATOM 0 H VAL A 594 -0.693 3.649 -2.699 1.00 0.00 H new ATOM 0 HA VAL A 594 -0.508 2.660 0.068 1.00 0.00 H new ATOM 0 HB VAL A 594 0.732 1.102 -0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 594 1.523 1.218 -3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 594 -0.199 1.643 -3.116 1.00 0.00 H new ATOM 0 HG13 VAL A 594 1.018 2.923 -3.337 1.00 0.00 H new ATOM 0 HG21 VAL A 594 3.080 1.638 -1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 594 2.681 3.373 -1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 594 2.519 2.398 0.085 1.00 0.00 H new ATOM 530 N TYR A 595 0.878 4.488 0.982 1.00 0.00 N ATOM 531 CA TYR A 595 1.563 5.633 1.563 1.00 0.00 C ATOM 532 C TYR A 595 3.001 5.273 1.925 1.00 0.00 C ATOM 533 O TYR A 595 3.304 4.123 2.237 1.00 0.00 O ATOM 534 CB TYR A 595 0.817 6.118 2.808 1.00 0.00 C ATOM 535 CG TYR A 595 -0.540 6.720 2.515 1.00 0.00 C ATOM 536 CD1 TYR A 595 -0.660 8.045 2.115 1.00 0.00 C ATOM 537 CD2 TYR A 595 -1.702 5.967 2.646 1.00 0.00 C ATOM 538 CE1 TYR A 595 -1.896 8.604 1.856 1.00 0.00 C ATOM 539 CE2 TYR A 595 -2.943 6.519 2.386 1.00 0.00 C ATOM 540 CZ TYR A 595 -3.034 7.837 1.992 1.00 0.00 C ATOM 541 OH TYR A 595 -4.267 8.391 1.734 1.00 0.00 O ATOM 0 H TYR A 595 0.531 3.814 1.665 1.00 0.00 H new ATOM 0 HA TYR A 595 1.581 6.434 0.824 1.00 0.00 H new ATOM 0 HB2 TYR A 595 0.691 5.280 3.494 1.00 0.00 H new ATOM 0 HB3 TYR A 595 1.430 6.860 3.320 1.00 0.00 H new ATOM 0 HD1 TYR A 595 0.229 8.648 2.005 1.00 0.00 H new ATOM 0 HD2 TYR A 595 -1.634 4.935 2.956 1.00 0.00 H new ATOM 0 HE1 TYR A 595 -1.971 9.637 1.549 1.00 0.00 H new ATOM 0 HE2 TYR A 595 -3.836 5.921 2.491 1.00 0.00 H new ATOM 0 HH TYR A 595 -4.757 7.821 1.106 1.00 0.00 H new ATOM 551 N ASN A 596 3.881 6.267 1.877 1.00 0.00 N ATOM 552 CA ASN A 596 5.289 6.063 2.198 1.00 0.00 C ATOM 553 C ASN A 596 5.795 7.165 3.122 1.00 0.00 C ATOM 554 O ASN A 596 6.214 8.229 2.665 1.00 0.00 O ATOM 555 CB ASN A 596 6.125 6.028 0.915 1.00 0.00 C ATOM 556 CG ASN A 596 7.614 6.110 1.187 1.00 0.00 C ATOM 557 OD1 ASN A 596 8.337 6.856 0.526 1.00 0.00 O ATOM 558 ND2 ASN A 596 8.082 5.343 2.165 1.00 0.00 N ATOM 0 H ASN A 596 3.643 7.225 1.618 1.00 0.00 H new ATOM 0 HA ASN A 596 5.389 5.107 2.712 1.00 0.00 H new ATOM 0 HB2 ASN A 596 5.909 5.109 0.370 1.00 0.00 H new ATOM 0 HB3 ASN A 596 5.831 6.857 0.271 1.00 0.00 H new ATOM 0 HD21 ASN A 596 9.076 5.358 2.393 1.00 0.00 H new ATOM 0 HD22 ASN A 596 7.447 4.739 2.688 1.00 0.00 H new ATOM 565 N GLY A 597 5.745 6.904 4.425 1.00 0.00 N ATOM 566 CA GLY A 597 6.195 7.886 5.396 1.00 0.00 C ATOM 567 C GLY A 597 5.492 9.219 5.235 1.00 0.00 C ATOM 568 O GLY A 597 6.083 10.182 4.745 1.00 0.00 O ATOM 0 H GLY A 597 5.401 6.031 4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 597 6.020 7.505 6.402 1.00 0.00 H new ATOM 0 HA3 GLY A 597 7.270 8.030 5.292 1.00 0.00 H new ATOM 572 N THR A 598 4.225 9.269 5.644 1.00 0.00 N ATOM 573 CA THR A 598 3.421 10.485 5.544 1.00 0.00 C ATOM 574 C THR A 598 3.532 11.114 4.157 1.00 0.00 C ATOM 575 O THR A 598 3.532 12.338 4.016 1.00 0.00 O ATOM 576 CB THR A 598 3.823 11.525 6.612 1.00 0.00 C ATOM 577 OG1 THR A 598 5.246 11.688 6.638 1.00 0.00 O ATOM 578 CG2 THR A 598 3.333 11.102 7.988 1.00 0.00 C ATOM 0 H THR A 598 3.731 8.475 6.051 1.00 0.00 H new ATOM 0 HA THR A 598 2.387 10.188 5.717 1.00 0.00 H new ATOM 0 HB THR A 598 3.357 12.475 6.350 1.00 0.00 H new ATOM 0 HG1 THR A 598 5.614 11.490 5.752 1.00 0.00 H new ATOM 0 HG21 THR A 598 3.627 11.849 8.725 1.00 0.00 H new ATOM 0 HG22 THR A 598 2.247 11.013 7.976 1.00 0.00 H new ATOM 0 HG23 THR A 598 3.773 10.140 8.251 1.00 0.00 H new ATOM 586 N ALA A 599 3.626 10.267 3.134 1.00 0.00 N ATOM 587 CA ALA A 599 3.737 10.735 1.756 1.00 0.00 C ATOM 588 C ALA A 599 3.341 9.639 0.769 1.00 0.00 C ATOM 589 O ALA A 599 4.102 8.700 0.536 1.00 0.00 O ATOM 590 CB ALA A 599 5.155 11.211 1.478 1.00 0.00 C ATOM 0 H ALA A 599 3.627 9.252 3.235 1.00 0.00 H new ATOM 0 HA ALA A 599 3.050 11.571 1.623 1.00 0.00 H new ATOM 0 HB1 ALA A 599 5.227 11.558 0.447 1.00 0.00 H new ATOM 0 HB2 ALA A 599 5.403 12.029 2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 599 5.852 10.388 1.633 1.00 0.00 H new ATOM 596 N LEU A 600 2.146 9.766 0.193 1.00 0.00 N ATOM 597 CA LEU A 600 1.644 8.785 -0.769 1.00 0.00 C ATOM 598 C LEU A 600 2.685 8.491 -1.847 1.00 0.00 C ATOM 599 O LEU A 600 3.123 9.393 -2.561 1.00 0.00 O ATOM 600 CB LEU A 600 0.349 9.285 -1.417 1.00 0.00 C ATOM 601 CG LEU A 600 -0.190 8.413 -2.557 1.00 0.00 C ATOM 602 CD1 LEU A 600 -1.681 8.159 -2.385 1.00 0.00 C ATOM 603 CD2 LEU A 600 0.085 9.066 -3.903 1.00 0.00 C ATOM 0 H LEU A 600 1.507 10.539 0.376 1.00 0.00 H new ATOM 0 HA LEU A 600 1.438 7.861 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 600 -0.418 9.362 -0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 600 0.518 10.291 -1.800 1.00 0.00 H new ATOM 0 HG LEU A 600 0.326 7.454 -2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 600 -2.041 7.538 -3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 600 -1.856 7.647 -1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 600 -2.215 9.109 -2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 600 -0.304 8.433 -4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 600 -0.403 10.040 -3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 600 1.160 9.193 -4.033 1.00 0.00 H new ATOM 615 N ALA A 601 3.074 7.225 -1.957 1.00 0.00 N ATOM 616 CA ALA A 601 4.060 6.810 -2.947 1.00 0.00 C ATOM 617 C ALA A 601 3.394 6.456 -4.275 1.00 0.00 C ATOM 618 O ALA A 601 3.028 7.341 -5.047 1.00 0.00 O ATOM 619 CB ALA A 601 4.875 5.636 -2.421 1.00 0.00 C ATOM 0 H ALA A 601 2.721 6.468 -1.372 1.00 0.00 H new ATOM 0 HA ALA A 601 4.734 7.648 -3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 601 5.607 5.337 -3.171 1.00 0.00 H new ATOM 0 HB2 ALA A 601 5.391 5.931 -1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 601 4.211 4.798 -2.208 1.00 0.00 H new ATOM 625 N THR A 602 3.238 5.159 -4.539 1.00 0.00 N ATOM 626 CA THR A 602 2.616 4.704 -5.777 1.00 0.00 C ATOM 627 C THR A 602 1.108 4.538 -5.619 1.00 0.00 C ATOM 628 O THR A 602 0.572 4.591 -4.508 1.00 0.00 O ATOM 629 CB THR A 602 3.226 3.373 -6.262 1.00 0.00 C ATOM 630 OG1 THR A 602 2.516 2.894 -7.411 1.00 0.00 O ATOM 631 CG2 THR A 602 3.185 2.321 -5.165 1.00 0.00 C ATOM 0 H THR A 602 3.533 4.409 -3.913 1.00 0.00 H new ATOM 0 HA THR A 602 2.811 5.475 -6.523 1.00 0.00 H new ATOM 0 HB THR A 602 4.267 3.558 -6.528 1.00 0.00 H new ATOM 0 HG1 THR A 602 2.912 2.050 -7.712 1.00 0.00 H new ATOM 0 HG21 THR A 602 3.621 1.393 -5.534 1.00 0.00 H new ATOM 0 HG22 THR A 602 3.753 2.671 -4.303 1.00 0.00 H new ATOM 0 HG23 THR A 602 2.151 2.143 -4.870 1.00 0.00 H new ATOM 639 N THR A 603 0.433 4.329 -6.745 1.00 0.00 N ATOM 640 CA THR A 603 -1.012 4.146 -6.760 1.00 0.00 C ATOM 641 C THR A 603 -1.388 2.973 -7.654 1.00 0.00 C ATOM 642 O THR A 603 -1.182 3.014 -8.868 1.00 0.00 O ATOM 643 CB THR A 603 -1.736 5.411 -7.260 1.00 0.00 C ATOM 644 OG1 THR A 603 -0.787 6.459 -7.495 1.00 0.00 O ATOM 645 CG2 THR A 603 -2.772 5.879 -6.249 1.00 0.00 C ATOM 0 H THR A 603 0.869 4.282 -7.666 1.00 0.00 H new ATOM 0 HA THR A 603 -1.325 3.946 -5.735 1.00 0.00 H new ATOM 0 HB THR A 603 -2.245 5.165 -8.192 1.00 0.00 H new ATOM 0 HG1 THR A 603 -1.255 7.259 -7.814 1.00 0.00 H new ATOM 0 HG21 THR A 603 -3.269 6.773 -6.625 1.00 0.00 H new ATOM 0 HG22 THR A 603 -3.510 5.092 -6.093 1.00 0.00 H new ATOM 0 HG23 THR A 603 -2.280 6.108 -5.303 1.00 0.00 H new ATOM 653 N VAL A 604 -1.923 1.922 -7.047 1.00 0.00 N ATOM 654 CA VAL A 604 -2.309 0.730 -7.788 1.00 0.00 C ATOM 655 C VAL A 604 -3.818 0.524 -7.773 1.00 0.00 C ATOM 656 O VAL A 604 -4.567 1.355 -7.258 1.00 0.00 O ATOM 657 CB VAL A 604 -1.624 -0.519 -7.209 1.00 0.00 C ATOM 658 CG1 VAL A 604 -0.145 -0.523 -7.562 1.00 0.00 C ATOM 659 CG2 VAL A 604 -1.822 -0.578 -5.702 1.00 0.00 C ATOM 0 H VAL A 604 -2.099 1.871 -6.044 1.00 0.00 H new ATOM 0 HA VAL A 604 -1.987 0.878 -8.819 1.00 0.00 H new ATOM 0 HB VAL A 604 -2.081 -1.406 -7.648 1.00 0.00 H new ATOM 0 HG11 VAL A 604 0.326 -1.413 -7.145 1.00 0.00 H new ATOM 0 HG12 VAL A 604 -0.030 -0.525 -8.646 1.00 0.00 H new ATOM 0 HG13 VAL A 604 0.330 0.366 -7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.332 -1.467 -5.305 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -1.389 0.311 -5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 604 -2.888 -0.620 -5.476 1.00 0.00 H new ATOM 669 N THR A 605 -4.255 -0.596 -8.341 1.00 0.00 N ATOM 670 CA THR A 605 -5.672 -0.928 -8.401 1.00 0.00 C ATOM 671 C THR A 605 -5.882 -2.434 -8.270 1.00 0.00 C ATOM 672 O THR A 605 -6.996 -2.932 -8.435 1.00 0.00 O ATOM 673 CB THR A 605 -6.307 -0.444 -9.718 1.00 0.00 C ATOM 674 OG1 THR A 605 -5.341 -0.490 -10.775 1.00 0.00 O ATOM 675 CG2 THR A 605 -6.838 0.974 -9.573 1.00 0.00 C ATOM 0 H THR A 605 -3.643 -1.291 -8.768 1.00 0.00 H new ATOM 0 HA THR A 605 -6.156 -0.419 -7.568 1.00 0.00 H new ATOM 0 HB THR A 605 -7.140 -1.105 -9.958 1.00 0.00 H new ATOM 0 HG1 THR A 605 -5.754 -0.182 -11.609 1.00 0.00 H new ATOM 0 HG21 THR A 605 -7.282 1.294 -10.516 1.00 0.00 H new ATOM 0 HG22 THR A 605 -7.594 1.001 -8.788 1.00 0.00 H new ATOM 0 HG23 THR A 605 -6.019 1.644 -9.311 1.00 0.00 H new ATOM 683 N GLY A 606 -4.802 -3.152 -7.972 1.00 0.00 N ATOM 684 CA GLY A 606 -4.884 -4.594 -7.823 1.00 0.00 C ATOM 685 C GLY A 606 -4.623 -5.050 -6.400 1.00 0.00 C ATOM 686 O GLY A 606 -5.334 -4.655 -5.476 1.00 0.00 O ATOM 0 H GLY A 606 -3.871 -2.760 -7.831 1.00 0.00 H new ATOM 0 HA2 GLY A 606 -5.873 -4.932 -8.133 1.00 0.00 H new ATOM 0 HA3 GLY A 606 -4.162 -5.066 -8.490 1.00 0.00 H new ATOM 690 N THR A 607 -3.602 -5.884 -6.225 1.00 0.00 N ATOM 691 CA THR A 607 -3.249 -6.396 -4.905 1.00 0.00 C ATOM 692 C THR A 607 -1.807 -6.055 -4.545 1.00 0.00 C ATOM 693 O THR A 607 -1.405 -6.167 -3.386 1.00 0.00 O ATOM 694 CB THR A 607 -3.431 -7.922 -4.824 1.00 0.00 C ATOM 695 OG1 THR A 607 -3.822 -8.441 -6.101 1.00 0.00 O ATOM 696 CG2 THR A 607 -4.474 -8.290 -3.780 1.00 0.00 C ATOM 0 H THR A 607 -3.005 -6.220 -6.981 1.00 0.00 H new ATOM 0 HA THR A 607 -3.923 -5.916 -4.196 1.00 0.00 H new ATOM 0 HB THR A 607 -2.477 -8.362 -4.532 1.00 0.00 H new ATOM 0 HG1 THR A 607 -3.933 -9.413 -6.039 1.00 0.00 H new ATOM 0 HG21 THR A 607 -4.584 -9.374 -3.742 1.00 0.00 H new ATOM 0 HG22 THR A 607 -4.157 -7.923 -2.804 1.00 0.00 H new ATOM 0 HG23 THR A 607 -5.429 -7.837 -4.045 1.00 0.00 H new ATOM 704 N THR A 608 -1.031 -5.644 -5.543 1.00 0.00 N ATOM 705 CA THR A 608 0.368 -5.293 -5.325 1.00 0.00 C ATOM 706 C THR A 608 0.612 -3.808 -5.568 1.00 0.00 C ATOM 707 O THR A 608 -0.288 -3.085 -5.991 1.00 0.00 O ATOM 708 CB THR A 608 1.300 -6.109 -6.239 1.00 0.00 C ATOM 709 OG1 THR A 608 1.032 -5.801 -7.612 1.00 0.00 O ATOM 710 CG2 THR A 608 1.116 -7.601 -6.004 1.00 0.00 C ATOM 0 H THR A 608 -1.346 -5.546 -6.508 1.00 0.00 H new ATOM 0 HA THR A 608 0.591 -5.528 -4.284 1.00 0.00 H new ATOM 0 HB THR A 608 2.330 -5.843 -6.002 1.00 0.00 H new ATOM 0 HG1 THR A 608 1.630 -6.323 -8.187 1.00 0.00 H new ATOM 0 HG21 THR A 608 1.784 -8.158 -6.661 1.00 0.00 H new ATOM 0 HG22 THR A 608 1.348 -7.837 -4.965 1.00 0.00 H new ATOM 0 HG23 THR A 608 0.084 -7.878 -6.217 1.00 0.00 H new ATOM 718 N ALA A 609 1.835 -3.363 -5.297 1.00 0.00 N ATOM 719 CA ALA A 609 2.209 -1.965 -5.482 1.00 0.00 C ATOM 720 C ALA A 609 3.720 -1.825 -5.635 1.00 0.00 C ATOM 721 O ALA A 609 4.483 -2.299 -4.793 1.00 0.00 O ATOM 722 CB ALA A 609 1.717 -1.129 -4.312 1.00 0.00 C ATOM 0 H ALA A 609 2.588 -3.955 -4.946 1.00 0.00 H new ATOM 0 HA ALA A 609 1.738 -1.602 -6.395 1.00 0.00 H new ATOM 0 HB1 ALA A 609 2.003 -0.088 -4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 609 0.631 -1.201 -4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 609 2.163 -1.498 -3.388 1.00 0.00 H new ATOM 728 N THR A 610 4.146 -1.178 -6.714 1.00 0.00 N ATOM 729 CA THR A 610 5.568 -0.985 -6.977 1.00 0.00 C ATOM 730 C THR A 610 5.966 0.482 -6.845 1.00 0.00 C ATOM 731 O THR A 610 5.296 1.368 -7.372 1.00 0.00 O ATOM 732 CB THR A 610 5.949 -1.483 -8.383 1.00 0.00 C ATOM 733 OG1 THR A 610 5.100 -2.571 -8.764 1.00 0.00 O ATOM 734 CG2 THR A 610 7.404 -1.928 -8.423 1.00 0.00 C ATOM 0 H THR A 610 3.528 -0.778 -7.420 1.00 0.00 H new ATOM 0 HA THR A 610 6.106 -1.569 -6.231 1.00 0.00 H new ATOM 0 HB THR A 610 5.819 -0.659 -9.085 1.00 0.00 H new ATOM 0 HG1 THR A 610 5.348 -2.881 -9.660 1.00 0.00 H new ATOM 0 HG21 THR A 610 7.651 -2.276 -9.426 1.00 0.00 H new ATOM 0 HG22 THR A 610 8.048 -1.089 -8.161 1.00 0.00 H new ATOM 0 HG23 THR A 610 7.556 -2.739 -7.710 1.00 0.00 H new ATOM 742 N ILE A 611 7.068 0.725 -6.140 1.00 0.00 N ATOM 743 CA ILE A 611 7.567 2.081 -5.936 1.00 0.00 C ATOM 744 C ILE A 611 8.920 2.269 -6.616 1.00 0.00 C ATOM 745 O ILE A 611 9.800 1.415 -6.514 1.00 0.00 O ATOM 746 CB ILE A 611 7.703 2.407 -4.433 1.00 0.00 C ATOM 747 CG1 ILE A 611 6.324 2.446 -3.772 1.00 0.00 C ATOM 748 CG2 ILE A 611 8.428 3.730 -4.231 1.00 0.00 C ATOM 749 CD1 ILE A 611 5.905 1.123 -3.168 1.00 0.00 C ATOM 0 H ILE A 611 7.633 -0.001 -5.700 1.00 0.00 H new ATOM 0 HA ILE A 611 6.842 2.763 -6.381 1.00 0.00 H new ATOM 0 HB ILE A 611 8.293 1.621 -3.963 1.00 0.00 H new ATOM 0 HG12 ILE A 611 6.325 3.208 -2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 611 5.584 2.749 -4.512 1.00 0.00 H new ATOM 0 HG21 ILE A 611 8.512 3.940 -3.165 1.00 0.00 H new ATOM 0 HG22 ILE A 611 9.424 3.669 -4.669 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.867 4.530 -4.715 1.00 0.00 H new ATOM 0 HD11 ILE A 611 4.918 1.225 -2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 611 5.871 0.362 -3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 611 6.624 0.828 -2.404 1.00 0.00 H new ATOM 761 N SER A 612 9.078 3.392 -7.313 1.00 0.00 N ATOM 762 CA SER A 612 10.325 3.690 -8.012 1.00 0.00 C ATOM 763 C SER A 612 11.154 4.711 -7.239 1.00 0.00 C ATOM 764 O SER A 612 10.740 5.193 -6.185 1.00 0.00 O ATOM 765 CB SER A 612 10.033 4.216 -9.417 1.00 0.00 C ATOM 766 OG SER A 612 10.381 3.258 -10.403 1.00 0.00 O ATOM 0 H SER A 612 8.359 4.109 -7.409 1.00 0.00 H new ATOM 0 HA SER A 612 10.898 2.766 -8.088 1.00 0.00 H new ATOM 0 HB2 SER A 612 8.975 4.464 -9.503 1.00 0.00 H new ATOM 0 HB3 SER A 612 10.591 5.137 -9.587 1.00 0.00 H new ATOM 0 HG SER A 612 10.183 3.618 -11.293 1.00 0.00 H new ATOM 772 N GLY A 613 12.331 5.035 -7.771 1.00 0.00 N ATOM 773 CA GLY A 613 13.203 5.995 -7.121 1.00 0.00 C ATOM 774 C GLY A 613 13.855 5.432 -5.873 1.00 0.00 C ATOM 775 O GLY A 613 14.977 4.926 -5.927 1.00 0.00 O ATOM 0 H GLY A 613 12.695 4.648 -8.642 1.00 0.00 H new ATOM 0 HA2 GLY A 613 13.977 6.311 -7.821 1.00 0.00 H new ATOM 0 HA3 GLY A 613 12.629 6.884 -6.858 1.00 0.00 H new ATOM 779 N LEU A 614 13.140 5.508 -4.752 1.00 0.00 N ATOM 780 CA LEU A 614 13.633 4.995 -3.479 1.00 0.00 C ATOM 781 C LEU A 614 15.048 5.494 -3.180 1.00 0.00 C ATOM 782 O LEU A 614 15.535 6.432 -3.813 1.00 0.00 O ATOM 783 CB LEU A 614 13.606 3.470 -3.506 1.00 0.00 C ATOM 784 CG LEU A 614 12.330 2.831 -2.962 1.00 0.00 C ATOM 785 CD1 LEU A 614 12.146 1.435 -3.536 1.00 0.00 C ATOM 786 CD2 LEU A 614 12.374 2.783 -1.448 1.00 0.00 C ATOM 0 H LEU A 614 12.210 5.924 -4.702 1.00 0.00 H new ATOM 0 HA LEU A 614 12.983 5.363 -2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 614 13.749 3.138 -4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 614 14.453 3.098 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 614 11.478 3.440 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 614 11.232 0.995 -3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 614 12.076 1.494 -4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 614 12.998 0.813 -3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 614 11.459 2.325 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 614 13.233 2.193 -1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 614 12.462 3.796 -1.054 1.00 0.00 H new ATOM 798 N ALA A 615 15.702 4.858 -2.210 1.00 0.00 N ATOM 799 CA ALA A 615 17.059 5.230 -1.823 1.00 0.00 C ATOM 800 C ALA A 615 17.670 4.175 -0.905 1.00 0.00 C ATOM 801 O ALA A 615 17.240 4.010 0.237 1.00 0.00 O ATOM 802 CB ALA A 615 17.066 6.591 -1.143 1.00 0.00 C ATOM 0 H ALA A 615 15.312 4.081 -1.677 1.00 0.00 H new ATOM 0 HA ALA A 615 17.665 5.290 -2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 615 18.086 6.852 -0.861 1.00 0.00 H new ATOM 0 HB2 ALA A 615 16.676 7.343 -1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 615 16.441 6.555 -0.251 1.00 0.00 H new ATOM 808 N ALA A 616 18.671 3.461 -1.414 1.00 0.00 N ATOM 809 CA ALA A 616 19.340 2.416 -0.644 1.00 0.00 C ATOM 810 C ALA A 616 19.983 2.978 0.620 1.00 0.00 C ATOM 811 O ALA A 616 20.087 4.194 0.787 1.00 0.00 O ATOM 812 CB ALA A 616 20.388 1.722 -1.502 1.00 0.00 C ATOM 0 H ALA A 616 19.037 3.587 -2.358 1.00 0.00 H new ATOM 0 HA ALA A 616 18.586 1.690 -0.340 1.00 0.00 H new ATOM 0 HB1 ALA A 616 20.880 0.945 -0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 616 19.907 1.273 -2.371 1.00 0.00 H new ATOM 0 HB3 ALA A 616 21.128 2.451 -1.833 1.00 0.00 H new ATOM 818 N ASP A 617 20.415 2.081 1.504 1.00 0.00 N ATOM 819 CA ASP A 617 21.055 2.474 2.758 1.00 0.00 C ATOM 820 C ASP A 617 20.132 3.352 3.600 1.00 0.00 C ATOM 821 O ASP A 617 20.595 4.184 4.380 1.00 0.00 O ATOM 822 CB ASP A 617 22.365 3.213 2.474 1.00 0.00 C ATOM 823 CG ASP A 617 23.422 2.941 3.528 1.00 0.00 C ATOM 824 OD1 ASP A 617 24.121 1.912 3.416 1.00 0.00 O ATOM 825 OD2 ASP A 617 23.549 3.756 4.466 1.00 0.00 O ATOM 0 H ASP A 617 20.333 1.073 1.374 1.00 0.00 H new ATOM 0 HA ASP A 617 21.269 1.567 3.324 1.00 0.00 H new ATOM 0 HB2 ASP A 617 22.744 2.913 1.497 1.00 0.00 H new ATOM 0 HB3 ASP A 617 22.171 4.285 2.425 1.00 0.00 H new ATOM 830 N THR A 618 18.826 3.160 3.439 1.00 0.00 N ATOM 831 CA THR A 618 17.841 3.934 4.188 1.00 0.00 C ATOM 832 C THR A 618 16.669 3.063 4.628 1.00 0.00 C ATOM 833 O THR A 618 16.295 2.115 3.937 1.00 0.00 O ATOM 834 CB THR A 618 17.303 5.110 3.353 1.00 0.00 C ATOM 835 OG1 THR A 618 18.353 5.669 2.556 1.00 0.00 O ATOM 836 CG2 THR A 618 16.715 6.187 4.250 1.00 0.00 C ATOM 0 H THR A 618 18.425 2.476 2.797 1.00 0.00 H new ATOM 0 HA THR A 618 18.351 4.322 5.070 1.00 0.00 H new ATOM 0 HB THR A 618 16.516 4.731 2.701 1.00 0.00 H new ATOM 0 HG1 THR A 618 18.386 5.211 1.690 1.00 0.00 H new ATOM 0 HG21 THR A 618 16.342 7.007 3.637 1.00 0.00 H new ATOM 0 HG22 THR A 618 15.895 5.767 4.833 1.00 0.00 H new ATOM 0 HG23 THR A 618 17.486 6.560 4.924 1.00 0.00 H new ATOM 844 N SER A 619 16.088 3.396 5.777 1.00 0.00 N ATOM 845 CA SER A 619 14.950 2.647 6.302 1.00 0.00 C ATOM 846 C SER A 619 13.642 3.216 5.761 1.00 0.00 C ATOM 847 O SER A 619 13.453 4.431 5.728 1.00 0.00 O ATOM 848 CB SER A 619 14.942 2.685 7.832 1.00 0.00 C ATOM 849 OG SER A 619 14.508 1.448 8.369 1.00 0.00 O ATOM 0 H SER A 619 16.385 4.177 6.361 1.00 0.00 H new ATOM 0 HA SER A 619 15.045 1.611 5.977 1.00 0.00 H new ATOM 0 HB2 SER A 619 15.943 2.913 8.199 1.00 0.00 H new ATOM 0 HB3 SER A 619 14.286 3.485 8.176 1.00 0.00 H new ATOM 0 HG SER A 619 14.513 1.496 9.348 1.00 0.00 H new ATOM 855 N TYR A 620 12.746 2.333 5.329 1.00 0.00 N ATOM 856 CA TYR A 620 11.464 2.761 4.780 1.00 0.00 C ATOM 857 C TYR A 620 10.290 2.082 5.476 1.00 0.00 C ATOM 858 O TYR A 620 10.374 0.924 5.887 1.00 0.00 O ATOM 859 CB TYR A 620 11.404 2.472 3.279 1.00 0.00 C ATOM 860 CG TYR A 620 12.203 3.445 2.443 1.00 0.00 C ATOM 861 CD1 TYR A 620 11.685 4.687 2.100 1.00 0.00 C ATOM 862 CD2 TYR A 620 13.479 3.120 1.998 1.00 0.00 C ATOM 863 CE1 TYR A 620 12.415 5.578 1.337 1.00 0.00 C ATOM 864 CE2 TYR A 620 14.214 4.005 1.235 1.00 0.00 C ATOM 865 CZ TYR A 620 13.666 5.236 0.900 1.00 0.00 C ATOM 866 OH TYR A 620 14.410 6.116 0.149 1.00 0.00 O ATOM 0 H TYR A 620 12.883 1.322 5.348 1.00 0.00 H new ATOM 0 HA TYR A 620 11.384 3.834 4.952 1.00 0.00 H new ATOM 0 HB2 TYR A 620 11.772 1.462 3.097 1.00 0.00 H new ATOM 0 HB3 TYR A 620 10.364 2.496 2.954 1.00 0.00 H new ATOM 0 HD1 TYR A 620 10.696 4.961 2.435 1.00 0.00 H new ATOM 0 HD2 TYR A 620 13.902 2.160 2.253 1.00 0.00 H new ATOM 0 HE1 TYR A 620 11.999 6.543 1.086 1.00 0.00 H new ATOM 0 HE2 TYR A 620 15.207 3.742 0.901 1.00 0.00 H new ATOM 0 HH TYR A 620 14.709 6.858 0.715 1.00 0.00 H new ATOM 876 N THR A 621 9.190 2.819 5.582 1.00 0.00 N ATOM 877 CA THR A 621 7.973 2.315 6.203 1.00 0.00 C ATOM 878 C THR A 621 6.773 2.617 5.313 1.00 0.00 C ATOM 879 O THR A 621 6.308 3.757 5.245 1.00 0.00 O ATOM 880 CB THR A 621 7.752 2.932 7.596 1.00 0.00 C ATOM 881 OG1 THR A 621 8.372 4.222 7.667 1.00 0.00 O ATOM 882 CG2 THR A 621 8.324 2.030 8.679 1.00 0.00 C ATOM 0 H THR A 621 9.118 3.778 5.241 1.00 0.00 H new ATOM 0 HA THR A 621 8.082 1.237 6.323 1.00 0.00 H new ATOM 0 HB THR A 621 6.679 3.037 7.757 1.00 0.00 H new ATOM 0 HG1 THR A 621 8.225 4.607 8.556 1.00 0.00 H new ATOM 0 HG21 THR A 621 8.158 2.484 9.656 1.00 0.00 H new ATOM 0 HG22 THR A 621 7.831 1.059 8.641 1.00 0.00 H new ATOM 0 HG23 THR A 621 9.394 1.900 8.517 1.00 0.00 H new ATOM 890 N PHE A 622 6.291 1.596 4.612 1.00 0.00 N ATOM 891 CA PHE A 622 5.164 1.757 3.701 1.00 0.00 C ATOM 892 C PHE A 622 3.853 1.298 4.327 1.00 0.00 C ATOM 893 O PHE A 622 3.837 0.600 5.341 1.00 0.00 O ATOM 894 CB PHE A 622 5.413 0.968 2.414 1.00 0.00 C ATOM 895 CG PHE A 622 6.681 1.350 1.704 1.00 0.00 C ATOM 896 CD1 PHE A 622 6.723 2.473 0.893 1.00 0.00 C ATOM 897 CD2 PHE A 622 7.832 0.590 1.848 1.00 0.00 C ATOM 898 CE1 PHE A 622 7.887 2.832 0.241 1.00 0.00 C ATOM 899 CE2 PHE A 622 8.999 0.944 1.197 1.00 0.00 C ATOM 900 CZ PHE A 622 9.030 2.045 0.386 1.00 0.00 C ATOM 0 H PHE A 622 6.664 0.648 4.658 1.00 0.00 H new ATOM 0 HA PHE A 622 5.078 2.820 3.478 1.00 0.00 H new ATOM 0 HB2 PHE A 622 5.447 -0.095 2.652 1.00 0.00 H new ATOM 0 HB3 PHE A 622 4.570 1.117 1.739 1.00 0.00 H new ATOM 0 HD1 PHE A 622 5.835 3.075 0.769 1.00 0.00 H new ATOM 0 HD2 PHE A 622 7.816 -0.289 2.476 1.00 0.00 H new ATOM 0 HE1 PHE A 622 7.912 3.717 -0.378 1.00 0.00 H new ATOM 0 HE2 PHE A 622 9.890 0.349 1.329 1.00 0.00 H new ATOM 0 HZ PHE A 622 9.937 2.304 -0.141 1.00 0.00 H new ATOM 910 N THR A 623 2.755 1.694 3.692 1.00 0.00 N ATOM 911 CA THR A 623 1.417 1.336 4.142 1.00 0.00 C ATOM 912 C THR A 623 0.464 1.300 2.952 1.00 0.00 C ATOM 913 O THR A 623 0.772 1.838 1.890 1.00 0.00 O ATOM 914 CB THR A 623 0.884 2.334 5.188 1.00 0.00 C ATOM 915 OG1 THR A 623 1.266 3.668 4.833 1.00 0.00 O ATOM 916 CG2 THR A 623 1.414 2.003 6.576 1.00 0.00 C ATOM 0 H THR A 623 2.769 2.272 2.852 1.00 0.00 H new ATOM 0 HA THR A 623 1.476 0.352 4.606 1.00 0.00 H new ATOM 0 HB THR A 623 -0.203 2.259 5.205 1.00 0.00 H new ATOM 0 HG1 THR A 623 0.922 4.296 5.502 1.00 0.00 H new ATOM 0 HG21 THR A 623 1.023 2.722 7.296 1.00 0.00 H new ATOM 0 HG22 THR A 623 1.096 0.999 6.857 1.00 0.00 H new ATOM 0 HG23 THR A 623 2.503 2.051 6.571 1.00 0.00 H new ATOM 924 N VAL A 624 -0.688 0.663 3.124 1.00 0.00 N ATOM 925 CA VAL A 624 -1.663 0.570 2.045 1.00 0.00 C ATOM 926 C VAL A 624 -3.031 1.077 2.482 1.00 0.00 C ATOM 927 O VAL A 624 -3.368 1.049 3.665 1.00 0.00 O ATOM 928 CB VAL A 624 -1.803 -0.874 1.522 1.00 0.00 C ATOM 929 CG1 VAL A 624 -1.051 -1.033 0.210 1.00 0.00 C ATOM 930 CG2 VAL A 624 -1.303 -1.874 2.554 1.00 0.00 C ATOM 0 H VAL A 624 -0.968 0.207 3.992 1.00 0.00 H new ATOM 0 HA VAL A 624 -1.289 1.202 1.239 1.00 0.00 H new ATOM 0 HB VAL A 624 -2.859 -1.076 1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 624 -1.158 -2.057 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 624 -1.460 -0.345 -0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 624 0.005 -0.812 0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 624 -1.412 -2.886 2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 624 -0.252 -1.679 2.770 1.00 0.00 H new ATOM 0 HG23 VAL A 624 -1.886 -1.774 3.469 1.00 0.00 H new ATOM 940 N LYS A 625 -3.810 1.545 1.514 1.00 0.00 N ATOM 941 CA LYS A 625 -5.141 2.068 1.784 1.00 0.00 C ATOM 942 C LYS A 625 -6.125 1.646 0.700 1.00 0.00 C ATOM 943 O LYS A 625 -5.903 1.899 -0.484 1.00 0.00 O ATOM 944 CB LYS A 625 -5.097 3.590 1.885 1.00 0.00 C ATOM 945 CG LYS A 625 -5.078 4.093 3.317 1.00 0.00 C ATOM 946 CD LYS A 625 -6.298 4.941 3.617 1.00 0.00 C ATOM 947 CE LYS A 625 -6.106 5.766 4.878 1.00 0.00 C ATOM 948 NZ LYS A 625 -6.931 7.006 4.862 1.00 0.00 N ATOM 0 H LYS A 625 -3.540 1.572 0.531 1.00 0.00 H new ATOM 0 HA LYS A 625 -5.481 1.655 2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 625 -4.212 3.957 1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 625 -5.963 4.007 1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 625 -5.043 3.246 4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 625 -4.174 4.678 3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 625 -6.498 5.603 2.775 1.00 0.00 H new ATOM 0 HD3 LYS A 625 -7.170 4.298 3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 625 -6.370 5.165 5.748 1.00 0.00 H new ATOM 0 HE3 LYS A 625 -5.054 6.031 4.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 625 -6.771 7.541 5.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 625 -6.662 7.592 4.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 625 -7.937 6.753 4.789 1.00 0.00 H new ATOM 962 N ALA A 626 -7.212 1.008 1.112 1.00 0.00 N ATOM 963 CA ALA A 626 -8.232 0.560 0.175 1.00 0.00 C ATOM 964 C ALA A 626 -9.184 1.699 -0.164 1.00 0.00 C ATOM 965 O ALA A 626 -10.082 2.019 0.612 1.00 0.00 O ATOM 966 CB ALA A 626 -8.999 -0.622 0.751 1.00 0.00 C ATOM 0 H ALA A 626 -7.410 0.789 2.088 1.00 0.00 H new ATOM 0 HA ALA A 626 -7.740 0.239 -0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 626 -9.758 -0.945 0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 626 -8.309 -1.444 0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 626 -9.480 -0.325 1.683 1.00 0.00 H new ATOM 972 N LYS A 627 -8.979 2.315 -1.323 1.00 0.00 N ATOM 973 CA LYS A 627 -9.819 3.426 -1.752 1.00 0.00 C ATOM 974 C LYS A 627 -10.876 2.964 -2.748 1.00 0.00 C ATOM 975 O LYS A 627 -10.700 1.962 -3.440 1.00 0.00 O ATOM 976 CB LYS A 627 -8.964 4.532 -2.374 1.00 0.00 C ATOM 977 CG LYS A 627 -8.119 4.066 -3.549 1.00 0.00 C ATOM 978 CD LYS A 627 -8.191 5.048 -4.708 1.00 0.00 C ATOM 979 CE LYS A 627 -7.003 5.995 -4.712 1.00 0.00 C ATOM 980 NZ LYS A 627 -7.037 6.928 -5.872 1.00 0.00 N ATOM 0 H LYS A 627 -8.240 2.064 -1.980 1.00 0.00 H new ATOM 0 HA LYS A 627 -10.327 3.820 -0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 627 -9.616 5.340 -2.705 1.00 0.00 H new ATOM 0 HB3 LYS A 627 -8.308 4.946 -1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 627 -7.083 3.951 -3.231 1.00 0.00 H new ATOM 0 HG3 LYS A 627 -8.461 3.085 -3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 627 -8.223 4.499 -5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 627 -9.115 5.622 -4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 627 -6.994 6.569 -3.785 1.00 0.00 H new ATOM 0 HE3 LYS A 627 -6.079 5.417 -4.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 627 -6.209 7.556 -5.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 627 -7.020 6.382 -6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 627 -7.906 7.498 -5.834 1.00 0.00 H new ATOM 994 N ASP A 628 -11.974 3.708 -2.815 1.00 0.00 N ATOM 995 CA ASP A 628 -13.065 3.390 -3.723 1.00 0.00 C ATOM 996 C ASP A 628 -12.982 4.263 -4.974 1.00 0.00 C ATOM 997 O ASP A 628 -11.907 4.759 -5.314 1.00 0.00 O ATOM 998 CB ASP A 628 -14.413 3.589 -3.022 1.00 0.00 C ATOM 999 CG ASP A 628 -15.087 2.276 -2.675 1.00 0.00 C ATOM 1000 OD1 ASP A 628 -14.425 1.413 -2.061 1.00 0.00 O ATOM 1001 OD2 ASP A 628 -16.276 2.109 -3.021 1.00 0.00 O ATOM 0 H ASP A 628 -12.131 4.540 -2.247 1.00 0.00 H new ATOM 0 HA ASP A 628 -12.979 2.345 -4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 628 -14.263 4.168 -2.111 1.00 0.00 H new ATOM 0 HB3 ASP A 628 -15.071 4.172 -3.666 1.00 0.00 H new ATOM 1006 N ALA A 629 -14.111 4.447 -5.654 1.00 0.00 N ATOM 1007 CA ALA A 629 -14.150 5.262 -6.865 1.00 0.00 C ATOM 1008 C ALA A 629 -13.478 6.614 -6.644 1.00 0.00 C ATOM 1009 O ALA A 629 -12.333 6.819 -7.047 1.00 0.00 O ATOM 1010 CB ALA A 629 -15.585 5.449 -7.332 1.00 0.00 C ATOM 0 H ALA A 629 -15.009 4.044 -5.388 1.00 0.00 H new ATOM 0 HA ALA A 629 -13.595 4.737 -7.642 1.00 0.00 H new ATOM 0 HB1 ALA A 629 -15.597 6.059 -8.236 1.00 0.00 H new ATOM 0 HB2 ALA A 629 -16.028 4.476 -7.545 1.00 0.00 H new ATOM 0 HB3 ALA A 629 -16.160 5.947 -6.551 1.00 0.00 H new ATOM 1016 N ALA A 630 -14.193 7.537 -6.004 1.00 0.00 N ATOM 1017 CA ALA A 630 -13.651 8.865 -5.739 1.00 0.00 C ATOM 1018 C ALA A 630 -14.422 9.573 -4.627 1.00 0.00 C ATOM 1019 O ALA A 630 -14.809 10.732 -4.777 1.00 0.00 O ATOM 1020 CB ALA A 630 -13.666 9.703 -7.009 1.00 0.00 C ATOM 0 H ALA A 630 -15.143 7.390 -5.662 1.00 0.00 H new ATOM 0 HA ALA A 630 -12.621 8.744 -5.404 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -13.259 10.692 -6.797 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -13.059 9.217 -7.773 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -14.691 9.802 -7.368 1.00 0.00 H new ATOM 1026 N GLY A 631 -14.647 8.880 -3.513 1.00 0.00 N ATOM 1027 CA GLY A 631 -15.377 9.488 -2.413 1.00 0.00 C ATOM 1028 C GLY A 631 -15.339 8.676 -1.131 1.00 0.00 C ATOM 1029 O GLY A 631 -16.054 8.990 -0.179 1.00 0.00 O ATOM 0 H GLY A 631 -14.341 7.920 -3.353 1.00 0.00 H new ATOM 0 HA2 GLY A 631 -14.964 10.478 -2.218 1.00 0.00 H new ATOM 0 HA3 GLY A 631 -16.416 9.629 -2.712 1.00 0.00 H new ATOM 1033 N ASN A 632 -14.513 7.634 -1.094 1.00 0.00 N ATOM 1034 CA ASN A 632 -14.409 6.794 0.095 1.00 0.00 C ATOM 1035 C ASN A 632 -13.032 6.149 0.197 1.00 0.00 C ATOM 1036 O ASN A 632 -12.536 5.565 -0.765 1.00 0.00 O ATOM 1037 CB ASN A 632 -15.486 5.706 0.079 1.00 0.00 C ATOM 1038 CG ASN A 632 -16.880 6.264 0.291 1.00 0.00 C ATOM 1039 OD1 ASN A 632 -17.344 6.392 1.425 1.00 0.00 O ATOM 1040 ND2 ASN A 632 -17.557 6.599 -0.801 1.00 0.00 N ATOM 0 H ASN A 632 -13.910 7.353 -1.867 1.00 0.00 H new ATOM 0 HA ASN A 632 -14.557 7.434 0.965 1.00 0.00 H new ATOM 0 HB2 ASN A 632 -15.451 5.179 -0.874 1.00 0.00 H new ATOM 0 HB3 ASN A 632 -15.269 4.974 0.857 1.00 0.00 H new ATOM 0 HD21 ASN A 632 -18.500 6.979 -0.720 1.00 0.00 H new ATOM 0 HD22 ASN A 632 -17.134 6.476 -1.721 1.00 0.00 H new ATOM 1047 N VAL A 633 -12.426 6.246 1.376 1.00 0.00 N ATOM 1048 CA VAL A 633 -11.112 5.659 1.612 1.00 0.00 C ATOM 1049 C VAL A 633 -11.057 4.991 2.983 1.00 0.00 C ATOM 1050 O VAL A 633 -11.339 5.620 4.004 1.00 0.00 O ATOM 1051 CB VAL A 633 -9.983 6.704 1.506 1.00 0.00 C ATOM 1052 CG1 VAL A 633 -9.867 7.230 0.083 1.00 0.00 C ATOM 1053 CG2 VAL A 633 -10.211 7.843 2.484 1.00 0.00 C ATOM 0 H VAL A 633 -12.824 6.726 2.183 1.00 0.00 H new ATOM 0 HA VAL A 633 -10.957 4.911 0.834 1.00 0.00 H new ATOM 0 HB VAL A 633 -9.043 6.217 1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 633 -9.064 7.966 0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 633 -9.646 6.404 -0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 633 -10.807 7.697 -0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 633 -9.403 8.569 2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 633 -11.161 8.328 2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 633 -10.233 7.451 3.501 1.00 0.00 H new ATOM 1063 N SER A 634 -10.701 3.713 2.997 1.00 0.00 N ATOM 1064 CA SER A 634 -10.614 2.955 4.241 1.00 0.00 C ATOM 1065 C SER A 634 -9.467 3.462 5.109 1.00 0.00 C ATOM 1066 O SER A 634 -8.941 4.551 4.884 1.00 0.00 O ATOM 1067 CB SER A 634 -10.421 1.469 3.938 1.00 0.00 C ATOM 1068 OG SER A 634 -9.197 1.243 3.261 1.00 0.00 O ATOM 0 H SER A 634 -10.467 3.178 2.161 1.00 0.00 H new ATOM 0 HA SER A 634 -11.546 3.092 4.789 1.00 0.00 H new ATOM 0 HB2 SER A 634 -10.437 0.900 4.867 1.00 0.00 H new ATOM 0 HB3 SER A 634 -11.250 1.108 3.329 1.00 0.00 H new ATOM 0 HG SER A 634 -9.254 1.606 2.352 1.00 0.00 H new ATOM 1074 N ALA A 635 -9.084 2.667 6.103 1.00 0.00 N ATOM 1075 CA ALA A 635 -7.996 3.035 7.001 1.00 0.00 C ATOM 1076 C ALA A 635 -6.658 2.527 6.475 1.00 0.00 C ATOM 1077 O ALA A 635 -6.612 1.738 5.531 1.00 0.00 O ATOM 1078 CB ALA A 635 -8.256 2.491 8.398 1.00 0.00 C ATOM 0 H ALA A 635 -9.511 1.764 6.307 1.00 0.00 H new ATOM 0 HA ALA A 635 -7.950 4.123 7.050 1.00 0.00 H new ATOM 0 HB1 ALA A 635 -7.435 2.774 9.057 1.00 0.00 H new ATOM 0 HB2 ALA A 635 -9.189 2.905 8.782 1.00 0.00 H new ATOM 0 HB3 ALA A 635 -8.331 1.404 8.357 1.00 0.00 H new ATOM 1084 N ALA A 636 -5.572 2.979 7.093 1.00 0.00 N ATOM 1085 CA ALA A 636 -4.235 2.564 6.690 1.00 0.00 C ATOM 1086 C ALA A 636 -3.845 1.254 7.367 1.00 0.00 C ATOM 1087 O ALA A 636 -4.103 1.059 8.556 1.00 0.00 O ATOM 1088 CB ALA A 636 -3.223 3.653 7.017 1.00 0.00 C ATOM 0 H ALA A 636 -5.592 3.633 7.875 1.00 0.00 H new ATOM 0 HA ALA A 636 -4.238 2.401 5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 636 -2.228 3.329 6.710 1.00 0.00 H new ATOM 0 HB2 ALA A 636 -3.487 4.567 6.485 1.00 0.00 H new ATOM 0 HB3 ALA A 636 -3.228 3.844 8.090 1.00 0.00 H new ATOM 1094 N SER A 637 -3.227 0.357 6.605 1.00 0.00 N ATOM 1095 CA SER A 637 -2.805 -0.938 7.133 1.00 0.00 C ATOM 1096 C SER A 637 -1.587 -0.790 8.042 1.00 0.00 C ATOM 1097 O SER A 637 -1.222 0.319 8.431 1.00 0.00 O ATOM 1098 CB SER A 637 -2.485 -1.900 5.984 1.00 0.00 C ATOM 1099 OG SER A 637 -1.109 -1.856 5.646 1.00 0.00 O ATOM 0 H SER A 637 -3.007 0.502 5.620 1.00 0.00 H new ATOM 0 HA SER A 637 -3.626 -1.345 7.723 1.00 0.00 H new ATOM 0 HB2 SER A 637 -2.760 -2.915 6.269 1.00 0.00 H new ATOM 0 HB3 SER A 637 -3.085 -1.641 5.112 1.00 0.00 H new ATOM 0 HG SER A 637 -0.713 -2.744 5.769 1.00 0.00 H new ATOM 1105 N ASN A 638 -0.961 -1.918 8.372 1.00 0.00 N ATOM 1106 CA ASN A 638 0.217 -1.916 9.232 1.00 0.00 C ATOM 1107 C ASN A 638 1.420 -1.328 8.500 1.00 0.00 C ATOM 1108 O ASN A 638 1.391 -1.153 7.282 1.00 0.00 O ATOM 1109 CB ASN A 638 0.537 -3.337 9.702 1.00 0.00 C ATOM 1110 CG ASN A 638 -0.602 -3.958 10.488 1.00 0.00 C ATOM 1111 OD1 ASN A 638 -1.267 -3.286 11.275 1.00 0.00 O ATOM 1112 ND2 ASN A 638 -0.830 -5.248 10.275 1.00 0.00 N ATOM 0 H ASN A 638 -1.251 -2.844 8.056 1.00 0.00 H new ATOM 0 HA ASN A 638 0.001 -1.295 10.101 1.00 0.00 H new ATOM 0 HB2 ASN A 638 0.760 -3.961 8.837 1.00 0.00 H new ATOM 0 HB3 ASN A 638 1.434 -3.318 10.321 1.00 0.00 H new ATOM 0 HD21 ASN A 638 -1.583 -5.722 10.774 1.00 0.00 H new ATOM 0 HD22 ASN A 638 -0.252 -5.765 9.612 1.00 0.00 H new ATOM 1119 N ALA A 639 2.474 -1.024 9.250 1.00 0.00 N ATOM 1120 CA ALA A 639 3.685 -0.453 8.671 1.00 0.00 C ATOM 1121 C ALA A 639 4.715 -1.534 8.362 1.00 0.00 C ATOM 1122 O ALA A 639 5.004 -2.390 9.198 1.00 0.00 O ATOM 1123 CB ALA A 639 4.275 0.589 9.610 1.00 0.00 C ATOM 0 H ALA A 639 2.514 -1.163 10.260 1.00 0.00 H new ATOM 0 HA ALA A 639 3.415 0.028 7.731 1.00 0.00 H new ATOM 0 HB1 ALA A 639 5.178 1.008 9.167 1.00 0.00 H new ATOM 0 HB2 ALA A 639 3.548 1.385 9.773 1.00 0.00 H new ATOM 0 HB3 ALA A 639 4.522 0.122 10.563 1.00 0.00 H new ATOM 1129 N VAL A 640 5.267 -1.486 7.152 1.00 0.00 N ATOM 1130 CA VAL A 640 6.266 -2.460 6.726 1.00 0.00 C ATOM 1131 C VAL A 640 7.654 -1.830 6.649 1.00 0.00 C ATOM 1132 O VAL A 640 7.924 -0.998 5.783 1.00 0.00 O ATOM 1133 CB VAL A 640 5.909 -3.068 5.355 1.00 0.00 C ATOM 1134 CG1 VAL A 640 4.872 -4.169 5.513 1.00 0.00 C ATOM 1135 CG2 VAL A 640 5.412 -1.990 4.404 1.00 0.00 C ATOM 0 H VAL A 640 5.039 -0.782 6.450 1.00 0.00 H new ATOM 0 HA VAL A 640 6.274 -3.253 7.474 1.00 0.00 H new ATOM 0 HB VAL A 640 6.810 -3.508 4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 640 4.632 -4.586 4.535 1.00 0.00 H new ATOM 0 HG12 VAL A 640 5.270 -4.955 6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 640 3.969 -3.756 5.962 1.00 0.00 H new ATOM 0 HG21 VAL A 640 5.165 -2.439 3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 640 4.523 -1.517 4.822 1.00 0.00 H new ATOM 0 HG23 VAL A 640 6.191 -1.240 4.265 1.00 0.00 H new ATOM 1145 N SER A 641 8.532 -2.237 7.562 1.00 0.00 N ATOM 1146 CA SER A 641 9.895 -1.715 7.604 1.00 0.00 C ATOM 1147 C SER A 641 10.821 -2.544 6.721 1.00 0.00 C ATOM 1148 O SER A 641 11.006 -3.740 6.950 1.00 0.00 O ATOM 1149 CB SER A 641 10.416 -1.707 9.041 1.00 0.00 C ATOM 1150 OG SER A 641 9.374 -1.979 9.963 1.00 0.00 O ATOM 0 H SER A 641 8.324 -2.927 8.283 1.00 0.00 H new ATOM 0 HA SER A 641 9.878 -0.693 7.225 1.00 0.00 H new ATOM 0 HB2 SER A 641 11.205 -2.451 9.149 1.00 0.00 H new ATOM 0 HB3 SER A 641 10.860 -0.737 9.265 1.00 0.00 H new ATOM 0 HG SER A 641 9.733 -1.970 10.875 1.00 0.00 H new ATOM 1156 N VAL A 642 11.400 -1.902 5.711 1.00 0.00 N ATOM 1157 CA VAL A 642 12.309 -2.582 4.793 1.00 0.00 C ATOM 1158 C VAL A 642 13.588 -1.777 4.587 1.00 0.00 C ATOM 1159 O VAL A 642 13.541 -0.594 4.253 1.00 0.00 O ATOM 1160 CB VAL A 642 11.650 -2.831 3.421 1.00 0.00 C ATOM 1161 CG1 VAL A 642 11.274 -4.296 3.269 1.00 0.00 C ATOM 1162 CG2 VAL A 642 10.432 -1.938 3.233 1.00 0.00 C ATOM 0 H VAL A 642 11.256 -0.913 5.507 1.00 0.00 H new ATOM 0 HA VAL A 642 12.553 -3.541 5.249 1.00 0.00 H new ATOM 0 HB VAL A 642 12.373 -2.580 2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 642 10.810 -4.453 2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 642 12.170 -4.912 3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 642 10.572 -4.575 4.055 1.00 0.00 H new ATOM 0 HG21 VAL A 642 9.985 -2.133 2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 642 9.702 -2.148 4.015 1.00 0.00 H new ATOM 0 HG23 VAL A 642 10.735 -0.893 3.291 1.00 0.00 H new ATOM 1172 N LYS A 643 14.730 -2.429 4.787 1.00 0.00 N ATOM 1173 CA LYS A 643 16.023 -1.776 4.621 1.00 0.00 C ATOM 1174 C LYS A 643 16.521 -1.923 3.185 1.00 0.00 C ATOM 1175 O LYS A 643 16.946 -3.002 2.772 1.00 0.00 O ATOM 1176 CB LYS A 643 17.047 -2.363 5.597 1.00 0.00 C ATOM 1177 CG LYS A 643 18.465 -1.857 5.374 1.00 0.00 C ATOM 1178 CD LYS A 643 19.338 -2.079 6.598 1.00 0.00 C ATOM 1179 CE LYS A 643 19.826 -0.761 7.179 1.00 0.00 C ATOM 1180 NZ LYS A 643 20.344 -0.921 8.567 1.00 0.00 N ATOM 0 H LYS A 643 14.785 -3.409 5.064 1.00 0.00 H new ATOM 0 HA LYS A 643 15.900 -0.715 4.838 1.00 0.00 H new ATOM 0 HB2 LYS A 643 16.742 -2.125 6.616 1.00 0.00 H new ATOM 0 HB3 LYS A 643 17.040 -3.449 5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 643 18.903 -2.368 4.517 1.00 0.00 H new ATOM 0 HG3 LYS A 643 18.439 -0.794 5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 643 18.774 -2.625 7.354 1.00 0.00 H new ATOM 0 HD3 LYS A 643 20.193 -2.699 6.329 1.00 0.00 H new ATOM 0 HE2 LYS A 643 20.612 -0.353 6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 643 19.009 -0.040 7.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 643 20.666 0.000 8.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 643 19.587 -1.286 9.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 643 21.141 -1.590 8.565 1.00 0.00 H new ATOM 1194 N THR A 644 16.462 -0.829 2.431 1.00 0.00 N ATOM 1195 CA THR A 644 16.904 -0.831 1.042 1.00 0.00 C ATOM 1196 C THR A 644 18.420 -0.697 0.945 1.00 0.00 C ATOM 1197 O THR A 644 18.950 -0.778 -0.183 1.00 0.00 O ATOM 1198 CB THR A 644 16.250 0.309 0.242 1.00 0.00 C ATOM 1199 OG1 THR A 644 16.423 1.552 0.932 1.00 0.00 O ATOM 1200 CG2 THR A 644 14.768 0.042 0.032 1.00 0.00 C ATOM 1201 OXT THR A 644 19.065 -0.510 1.998 1.00 0.00 O ATOM 0 H THR A 644 16.112 0.071 2.760 1.00 0.00 H new ATOM 0 HA THR A 644 16.598 -1.787 0.617 1.00 0.00 H new ATOM 0 HB THR A 644 16.734 0.364 -0.733 1.00 0.00 H new ATOM 0 HG1 THR A 644 16.595 2.266 0.283 1.00 0.00 H new ATOM 0 HG21 THR A 644 14.328 0.862 -0.536 1.00 0.00 H new ATOM 0 HG22 THR A 644 14.641 -0.890 -0.518 1.00 0.00 H new ATOM 0 HG23 THR A 644 14.272 -0.037 0.999 1.00 0.00 H new TER 1209 THR A 644