USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=36 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 590 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 627 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 561 THR OG1 : rot 180:sc= -1.01 USER MOD Set 2.2: A 583 SER OG : rot -112:sc= -0.0536 USER MOD Set 3.1: A 572 THR OG1 : rot -150:sc= 1.42 USER MOD Set 3.2: A 574 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 575 SER OG : rot 180:sc= 0.765 USER MOD Single : A 557 HIS : no HD1:sc= -0.229 K(o=-0.23,f=-0.9) USER MOD Single : A 558 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 564 THR OG1 : rot 180:sc= 0 USER MOD Single : A 565 ASN : amide:sc= -0.524 X(o=-0.52,f=-0.059) USER MOD Single : A 568 SER OG : rot 18:sc= 0.326 USER MOD Single : A 569 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 571 GLN : amide:sc= -0.449 X(o=-0.45,f=0.0084) USER MOD Single : A 573 THR OG1 : rot 180:sc= 0 USER MOD Single : A 577 THR OG1 : rot 73:sc= 0.0783 USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 581 THR OG1 : rot 180:sc= 0 USER MOD Single : A 584 THR OG1 : rot 180:sc= 0 USER MOD Single : A 586 ASN : amide:sc= -0.447 X(o=-0.45,f=-0.91) USER MOD Single : A 592 TYR OH : rot 50:sc= 0.0452 USER MOD Single : A 595 TYR OH : rot 180:sc= 0 USER MOD Single : A 596 ASN : amide:sc= -0.0185 X(o=-0.018,f=-0.31) USER MOD Single : A 598 THR OG1 : rot 12:sc= 0.662 USER MOD Single : A 602 THR OG1 : rot 161:sc= -0.222 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 53:sc= 0.186 USER MOD Single : A 619 SER OG : rot 28:sc= 0.0964 USER MOD Single : A 620 TYR OH : rot 30:sc= 0.288 USER MOD Single : A 621 THR OG1 : rot 25:sc= 0.308 USER MOD Single : A 623 THR OG1 : rot 180:sc= 0 USER MOD Single : A 625 LYS NZ :NH3+ 174:sc= -0.288 (180deg=-0.344) USER MOD Single : A 632 ASN : amide:sc= -0.275 X(o=-0.28,f=-0.34) USER MOD Single : A 634 SER OG : rot 86:sc= -2.44! USER MOD Single : A 637 SER OG : rot 18:sc= 0.672 USER MOD Single : A 638 ASN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 641 SER OG : rot 180:sc= 0 USER MOD Single : A 643 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00463) USER MOD Single : A 644 THR OG1 : rot 126:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 557 -21.475 4.120 -1.755 1.00 0.00 N ATOM 2 CA HIS A 557 -21.948 4.390 -0.373 1.00 0.00 C ATOM 3 C HIS A 557 -21.133 3.607 0.652 1.00 0.00 C ATOM 4 O HIS A 557 -20.807 2.439 0.434 1.00 0.00 O ATOM 5 CB HIS A 557 -23.427 4.005 -0.277 1.00 0.00 C ATOM 6 CG HIS A 557 -23.712 2.604 -0.725 1.00 0.00 C ATOM 7 ND1 HIS A 557 -23.682 2.217 -2.048 1.00 0.00 N ATOM 8 CD2 HIS A 557 -24.032 1.494 -0.016 1.00 0.00 C ATOM 9 CE1 HIS A 557 -23.971 0.930 -2.135 1.00 0.00 C ATOM 10 NE2 HIS A 557 -24.186 0.470 -0.918 1.00 0.00 N ATOM 0 HA HIS A 557 -21.821 5.450 -0.154 1.00 0.00 H new ATOM 0 HB2 HIS A 557 -23.758 4.122 0.755 1.00 0.00 H new ATOM 0 HB3 HIS A 557 -24.014 4.697 -0.881 1.00 0.00 H new ATOM 0 HD2 HIS A 557 -24.145 1.427 1.056 1.00 0.00 H new ATOM 0 HE1 HIS A 557 -24.022 0.354 -3.047 1.00 0.00 H new ATOM 0 HE2 HIS A 557 -24.428 -0.493 -0.684 1.00 0.00 H new ATOM 21 N MET A 558 -20.812 4.260 1.768 1.00 0.00 N ATOM 22 CA MET A 558 -20.035 3.639 2.839 1.00 0.00 C ATOM 23 C MET A 558 -18.622 3.298 2.376 1.00 0.00 C ATOM 24 O MET A 558 -18.422 2.773 1.281 1.00 0.00 O ATOM 25 CB MET A 558 -20.733 2.376 3.348 1.00 0.00 C ATOM 26 CG MET A 558 -20.275 1.947 4.733 1.00 0.00 C ATOM 27 SD MET A 558 -20.972 0.363 5.235 1.00 0.00 S ATOM 28 CE MET A 558 -22.058 0.883 6.560 1.00 0.00 C ATOM 0 H MET A 558 -21.081 5.226 1.954 1.00 0.00 H new ATOM 0 HA MET A 558 -19.964 4.361 3.653 1.00 0.00 H new ATOM 0 HB2 MET A 558 -21.809 2.548 3.367 1.00 0.00 H new ATOM 0 HB3 MET A 558 -20.552 1.562 2.646 1.00 0.00 H new ATOM 0 HG2 MET A 558 -19.187 1.882 4.748 1.00 0.00 H new ATOM 0 HG3 MET A 558 -20.558 2.710 5.458 1.00 0.00 H new ATOM 0 HE1 MET A 558 -22.566 0.013 6.977 1.00 0.00 H new ATOM 0 HE2 MET A 558 -21.473 1.370 7.340 1.00 0.00 H new ATOM 0 HE3 MET A 558 -22.798 1.583 6.171 1.00 0.00 H new ATOM 38 N ALA A 559 -17.644 3.601 3.222 1.00 0.00 N ATOM 39 CA ALA A 559 -16.248 3.327 2.909 1.00 0.00 C ATOM 40 C ALA A 559 -15.960 1.827 2.946 1.00 0.00 C ATOM 41 O ALA A 559 -16.624 1.079 3.665 1.00 0.00 O ATOM 42 CB ALA A 559 -15.339 4.067 3.877 1.00 0.00 C ATOM 0 H ALA A 559 -17.794 4.037 4.132 1.00 0.00 H new ATOM 0 HA ALA A 559 -16.049 3.681 1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 559 -14.298 3.855 3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 559 -15.519 5.139 3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 559 -15.548 3.739 4.895 1.00 0.00 H new ATOM 48 N PRO A 560 -14.961 1.365 2.171 1.00 0.00 N ATOM 49 CA PRO A 560 -14.588 -0.052 2.123 1.00 0.00 C ATOM 50 C PRO A 560 -13.816 -0.488 3.364 1.00 0.00 C ATOM 51 O PRO A 560 -13.786 0.223 4.368 1.00 0.00 O ATOM 52 CB PRO A 560 -13.694 -0.130 0.889 1.00 0.00 C ATOM 53 CG PRO A 560 -13.068 1.217 0.802 1.00 0.00 C ATOM 54 CD PRO A 560 -14.113 2.187 1.283 1.00 0.00 C ATOM 0 HA PRO A 560 -15.459 -0.706 2.084 1.00 0.00 H new ATOM 0 HB2 PRO A 560 -12.942 -0.912 0.992 1.00 0.00 H new ATOM 0 HB3 PRO A 560 -14.272 -0.359 -0.007 1.00 0.00 H new ATOM 0 HG2 PRO A 560 -12.171 1.272 1.418 1.00 0.00 H new ATOM 0 HG3 PRO A 560 -12.766 1.443 -0.221 1.00 0.00 H new ATOM 0 HD2 PRO A 560 -13.667 3.026 1.817 1.00 0.00 H new ATOM 0 HD3 PRO A 560 -14.685 2.605 0.455 1.00 0.00 H new ATOM 62 N THR A 561 -13.187 -1.657 3.287 1.00 0.00 N ATOM 63 CA THR A 561 -12.410 -2.178 4.403 1.00 0.00 C ATOM 64 C THR A 561 -10.936 -1.824 4.247 1.00 0.00 C ATOM 65 O THR A 561 -10.437 -1.679 3.131 1.00 0.00 O ATOM 66 CB THR A 561 -12.548 -3.709 4.536 1.00 0.00 C ATOM 67 OG1 THR A 561 -11.416 -4.358 3.943 1.00 0.00 O ATOM 68 CG2 THR A 561 -13.827 -4.204 3.877 1.00 0.00 C ATOM 0 H THR A 561 -13.201 -2.259 2.464 1.00 0.00 H new ATOM 0 HA THR A 561 -12.807 -1.714 5.306 1.00 0.00 H new ATOM 0 HB THR A 561 -12.592 -3.953 5.598 1.00 0.00 H new ATOM 0 HG1 THR A 561 -11.511 -5.329 4.033 1.00 0.00 H new ATOM 0 HG21 THR A 561 -13.897 -5.286 3.986 1.00 0.00 H new ATOM 0 HG22 THR A 561 -14.687 -3.734 4.354 1.00 0.00 H new ATOM 0 HG23 THR A 561 -13.814 -3.947 2.818 1.00 0.00 H new ATOM 76 N ALA A 562 -10.248 -1.681 5.374 1.00 0.00 N ATOM 77 CA ALA A 562 -8.832 -1.338 5.368 1.00 0.00 C ATOM 78 C ALA A 562 -7.958 -2.579 5.191 1.00 0.00 C ATOM 79 O ALA A 562 -8.078 -3.540 5.950 1.00 0.00 O ATOM 80 CB ALA A 562 -8.469 -0.618 6.658 1.00 0.00 C ATOM 0 H ALA A 562 -10.649 -1.798 6.305 1.00 0.00 H new ATOM 0 HA ALA A 562 -8.646 -0.677 4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -7.409 -0.364 6.647 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -9.060 0.294 6.744 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -8.678 -1.267 7.508 1.00 0.00 H new ATOM 86 N PRO A 563 -7.057 -2.571 4.187 1.00 0.00 N ATOM 87 CA PRO A 563 -6.153 -3.699 3.923 1.00 0.00 C ATOM 88 C PRO A 563 -5.458 -4.184 5.192 1.00 0.00 C ATOM 89 O PRO A 563 -5.291 -3.422 6.144 1.00 0.00 O ATOM 90 CB PRO A 563 -5.131 -3.105 2.955 1.00 0.00 C ATOM 91 CG PRO A 563 -5.872 -2.029 2.240 1.00 0.00 C ATOM 92 CD PRO A 563 -6.844 -1.460 3.239 1.00 0.00 C ATOM 0 HA PRO A 563 -6.681 -4.568 3.531 1.00 0.00 H new ATOM 0 HB2 PRO A 563 -4.267 -2.706 3.486 1.00 0.00 H new ATOM 0 HB3 PRO A 563 -4.758 -3.858 2.261 1.00 0.00 H new ATOM 0 HG2 PRO A 563 -5.190 -1.260 1.878 1.00 0.00 H new ATOM 0 HG3 PRO A 563 -6.395 -2.427 1.370 1.00 0.00 H new ATOM 0 HD2 PRO A 563 -6.438 -0.580 3.737 1.00 0.00 H new ATOM 0 HD3 PRO A 563 -7.776 -1.155 2.763 1.00 0.00 H new ATOM 100 N THR A 564 -5.054 -5.453 5.204 1.00 0.00 N ATOM 101 CA THR A 564 -4.380 -6.023 6.368 1.00 0.00 C ATOM 102 C THR A 564 -3.287 -7.003 5.961 1.00 0.00 C ATOM 103 O THR A 564 -3.257 -7.488 4.828 1.00 0.00 O ATOM 104 CB THR A 564 -5.364 -6.752 7.310 1.00 0.00 C ATOM 105 OG1 THR A 564 -5.113 -8.164 7.284 1.00 0.00 O ATOM 106 CG2 THR A 564 -6.811 -6.489 6.918 1.00 0.00 C ATOM 0 H THR A 564 -5.180 -6.101 4.427 1.00 0.00 H new ATOM 0 HA THR A 564 -3.937 -5.179 6.897 1.00 0.00 H new ATOM 0 HB THR A 564 -5.206 -6.366 8.317 1.00 0.00 H new ATOM 0 HG1 THR A 564 -5.740 -8.619 7.885 1.00 0.00 H new ATOM 0 HG21 THR A 564 -7.475 -7.017 7.602 1.00 0.00 H new ATOM 0 HG22 THR A 564 -7.013 -5.419 6.970 1.00 0.00 H new ATOM 0 HG23 THR A 564 -6.982 -6.842 5.901 1.00 0.00 H new ATOM 114 N ASN A 565 -2.401 -7.300 6.906 1.00 0.00 N ATOM 115 CA ASN A 565 -1.305 -8.236 6.681 1.00 0.00 C ATOM 116 C ASN A 565 -0.457 -7.846 5.474 1.00 0.00 C ATOM 117 O ASN A 565 -0.216 -8.665 4.586 1.00 0.00 O ATOM 118 CB ASN A 565 -1.848 -9.650 6.497 1.00 0.00 C ATOM 119 CG ASN A 565 -0.797 -10.711 6.757 1.00 0.00 C ATOM 120 OD1 ASN A 565 -0.621 -11.636 5.963 1.00 0.00 O ATOM 121 ND2 ASN A 565 -0.091 -10.583 7.874 1.00 0.00 N ATOM 0 H ASN A 565 -2.422 -6.901 7.845 1.00 0.00 H new ATOM 0 HA ASN A 565 -0.664 -8.202 7.562 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -2.690 -9.804 7.172 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -2.229 -9.761 5.482 1.00 0.00 H new ATOM 0 HD21 ASN A 565 0.631 -11.267 8.102 1.00 0.00 H new ATOM 0 HD22 ASN A 565 -0.270 -9.801 8.504 1.00 0.00 H new ATOM 128 N LEU A 566 0.011 -6.602 5.452 1.00 0.00 N ATOM 129 CA LEU A 566 0.849 -6.134 4.354 1.00 0.00 C ATOM 130 C LEU A 566 2.249 -6.728 4.476 1.00 0.00 C ATOM 131 O LEU A 566 2.674 -7.117 5.564 1.00 0.00 O ATOM 132 CB LEU A 566 0.929 -4.604 4.340 1.00 0.00 C ATOM 133 CG LEU A 566 2.050 -4.024 3.472 1.00 0.00 C ATOM 134 CD1 LEU A 566 1.536 -3.696 2.080 1.00 0.00 C ATOM 135 CD2 LEU A 566 2.651 -2.793 4.128 1.00 0.00 C ATOM 0 H LEU A 566 -0.173 -5.906 6.174 1.00 0.00 H new ATOM 0 HA LEU A 566 0.399 -6.462 3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -0.024 -4.208 3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 566 1.063 -4.252 5.363 1.00 0.00 H new ATOM 0 HG LEU A 566 2.833 -4.776 3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 566 2.348 -3.285 1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 566 1.159 -4.603 1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 566 0.732 -2.964 2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 566 3.445 -2.395 3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 566 1.878 -2.036 4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 566 3.062 -3.063 5.101 1.00 0.00 H new ATOM 147 N ALA A 567 2.962 -6.794 3.357 1.00 0.00 N ATOM 148 CA ALA A 567 4.312 -7.340 3.351 1.00 0.00 C ATOM 149 C ALA A 567 5.092 -6.890 2.120 1.00 0.00 C ATOM 150 O ALA A 567 4.586 -6.127 1.297 1.00 0.00 O ATOM 151 CB ALA A 567 4.270 -8.860 3.425 1.00 0.00 C ATOM 0 H ALA A 567 2.629 -6.477 2.447 1.00 0.00 H new ATOM 0 HA ALA A 567 4.829 -6.957 4.231 1.00 0.00 H new ATOM 0 HB1 ALA A 567 5.287 -9.253 3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.768 -9.166 4.343 1.00 0.00 H new ATOM 0 HB3 ALA A 567 3.725 -9.251 2.566 1.00 0.00 H new ATOM 157 N SER A 568 6.325 -7.372 2.004 1.00 0.00 N ATOM 158 CA SER A 568 7.184 -7.029 0.875 1.00 0.00 C ATOM 159 C SER A 568 7.852 -8.277 0.309 1.00 0.00 C ATOM 160 O SER A 568 8.449 -9.061 1.047 1.00 0.00 O ATOM 161 CB SER A 568 8.249 -6.019 1.305 1.00 0.00 C ATOM 162 OG SER A 568 9.184 -6.609 2.189 1.00 0.00 O ATOM 0 H SER A 568 6.754 -8.004 2.681 1.00 0.00 H new ATOM 0 HA SER A 568 6.564 -6.582 0.098 1.00 0.00 H new ATOM 0 HB2 SER A 568 8.767 -5.636 0.426 1.00 0.00 H new ATOM 0 HB3 SER A 568 7.772 -5.168 1.791 1.00 0.00 H new ATOM 0 HG SER A 568 9.127 -7.585 2.122 1.00 0.00 H new ATOM 168 N THR A 569 7.746 -8.459 -1.004 1.00 0.00 N ATOM 169 CA THR A 569 8.339 -9.617 -1.662 1.00 0.00 C ATOM 170 C THR A 569 9.509 -9.211 -2.556 1.00 0.00 C ATOM 171 O THR A 569 10.667 -9.462 -2.225 1.00 0.00 O ATOM 172 CB THR A 569 7.295 -10.383 -2.498 1.00 0.00 C ATOM 173 OG1 THR A 569 6.724 -9.520 -3.488 1.00 0.00 O ATOM 174 CG2 THR A 569 6.192 -10.933 -1.606 1.00 0.00 C ATOM 0 H THR A 569 7.256 -7.821 -1.631 1.00 0.00 H new ATOM 0 HA THR A 569 8.709 -10.273 -0.874 1.00 0.00 H new ATOM 0 HB THR A 569 7.798 -11.215 -2.991 1.00 0.00 H new ATOM 0 HG1 THR A 569 6.064 -10.018 -4.014 1.00 0.00 H new ATOM 0 HG21 THR A 569 5.465 -11.470 -2.215 1.00 0.00 H new ATOM 0 HG22 THR A 569 6.623 -11.613 -0.872 1.00 0.00 H new ATOM 0 HG23 THR A 569 5.696 -10.110 -1.091 1.00 0.00 H new ATOM 182 N ALA A 570 9.202 -8.580 -3.686 1.00 0.00 N ATOM 183 CA ALA A 570 10.236 -8.141 -4.615 1.00 0.00 C ATOM 184 C ALA A 570 10.694 -6.727 -4.289 1.00 0.00 C ATOM 185 O ALA A 570 10.070 -5.750 -4.704 1.00 0.00 O ATOM 186 CB ALA A 570 9.726 -8.216 -6.047 1.00 0.00 C ATOM 0 H ALA A 570 8.249 -8.362 -3.979 1.00 0.00 H new ATOM 0 HA ALA A 570 11.092 -8.808 -4.512 1.00 0.00 H new ATOM 0 HB1 ALA A 570 10.509 -7.885 -6.730 1.00 0.00 H new ATOM 0 HB2 ALA A 570 9.450 -9.244 -6.282 1.00 0.00 H new ATOM 0 HB3 ALA A 570 8.853 -7.572 -6.157 1.00 0.00 H new ATOM 192 N GLN A 571 11.788 -6.623 -3.542 1.00 0.00 N ATOM 193 CA GLN A 571 12.331 -5.326 -3.156 1.00 0.00 C ATOM 194 C GLN A 571 13.781 -5.189 -3.605 1.00 0.00 C ATOM 195 O GLN A 571 14.684 -5.786 -3.017 1.00 0.00 O ATOM 196 CB GLN A 571 12.230 -5.141 -1.639 1.00 0.00 C ATOM 197 CG GLN A 571 12.959 -3.909 -1.120 1.00 0.00 C ATOM 198 CD GLN A 571 13.594 -4.140 0.240 1.00 0.00 C ATOM 199 OE1 GLN A 571 14.657 -3.596 0.542 1.00 0.00 O ATOM 200 NE2 GLN A 571 12.943 -4.946 1.072 1.00 0.00 N ATOM 0 H GLN A 571 12.316 -7.422 -3.192 1.00 0.00 H new ATOM 0 HA GLN A 571 11.745 -4.550 -3.649 1.00 0.00 H new ATOM 0 HB2 GLN A 571 11.178 -5.074 -1.360 1.00 0.00 H new ATOM 0 HB3 GLN A 571 12.635 -6.025 -1.147 1.00 0.00 H new ATOM 0 HG2 GLN A 571 13.731 -3.620 -1.833 1.00 0.00 H new ATOM 0 HG3 GLN A 571 12.258 -3.077 -1.054 1.00 0.00 H new ATOM 0 HE21 GLN A 571 12.065 -5.377 0.782 1.00 0.00 H new ATOM 0 HE22 GLN A 571 13.321 -5.134 2.000 1.00 0.00 H new ATOM 209 N THR A 572 13.997 -4.397 -4.649 1.00 0.00 N ATOM 210 CA THR A 572 15.336 -4.176 -5.179 1.00 0.00 C ATOM 211 C THR A 572 16.041 -3.049 -4.427 1.00 0.00 C ATOM 212 O THR A 572 15.719 -2.771 -3.271 1.00 0.00 O ATOM 213 CB THR A 572 15.291 -3.840 -6.681 1.00 0.00 C ATOM 214 OG1 THR A 572 14.830 -2.498 -6.869 1.00 0.00 O ATOM 215 CG2 THR A 572 14.379 -4.805 -7.423 1.00 0.00 C ATOM 0 H THR A 572 13.260 -3.897 -5.146 1.00 0.00 H new ATOM 0 HA THR A 572 15.896 -5.101 -5.042 1.00 0.00 H new ATOM 0 HB THR A 572 16.299 -3.936 -7.084 1.00 0.00 H new ATOM 0 HG1 THR A 572 14.356 -2.432 -7.724 1.00 0.00 H new ATOM 0 HG21 THR A 572 14.363 -4.549 -8.482 1.00 0.00 H new ATOM 0 HG22 THR A 572 14.750 -5.823 -7.302 1.00 0.00 H new ATOM 0 HG23 THR A 572 13.370 -4.736 -7.017 1.00 0.00 H new ATOM 223 N THR A 573 17.005 -2.406 -5.081 1.00 0.00 N ATOM 224 CA THR A 573 17.751 -1.318 -4.460 1.00 0.00 C ATOM 225 C THR A 573 17.060 0.027 -4.668 1.00 0.00 C ATOM 226 O THR A 573 17.066 0.879 -3.779 1.00 0.00 O ATOM 227 CB THR A 573 19.187 -1.235 -5.008 1.00 0.00 C ATOM 228 OG1 THR A 573 19.794 -2.533 -4.995 1.00 0.00 O ATOM 229 CG2 THR A 573 20.026 -0.271 -4.182 1.00 0.00 C ATOM 0 H THR A 573 17.286 -2.620 -6.038 1.00 0.00 H new ATOM 0 HA THR A 573 17.788 -1.538 -3.393 1.00 0.00 H new ATOM 0 HB THR A 573 19.140 -0.867 -6.033 1.00 0.00 H new ATOM 0 HG1 THR A 573 20.707 -2.471 -5.347 1.00 0.00 H new ATOM 0 HG21 THR A 573 21.037 -0.229 -4.588 1.00 0.00 H new ATOM 0 HG22 THR A 573 19.579 0.722 -4.217 1.00 0.00 H new ATOM 0 HG23 THR A 573 20.064 -0.615 -3.149 1.00 0.00 H new ATOM 237 N SER A 574 16.470 0.219 -5.846 1.00 0.00 N ATOM 238 CA SER A 574 15.786 1.470 -6.161 1.00 0.00 C ATOM 239 C SER A 574 14.287 1.254 -6.354 1.00 0.00 C ATOM 240 O SER A 574 13.539 2.206 -6.578 1.00 0.00 O ATOM 241 CB SER A 574 16.385 2.099 -7.419 1.00 0.00 C ATOM 242 OG SER A 574 15.850 1.506 -8.590 1.00 0.00 O ATOM 0 H SER A 574 16.452 -0.473 -6.595 1.00 0.00 H new ATOM 0 HA SER A 574 15.926 2.145 -5.317 1.00 0.00 H new ATOM 0 HB2 SER A 574 16.183 3.170 -7.425 1.00 0.00 H new ATOM 0 HB3 SER A 574 17.468 1.979 -7.409 1.00 0.00 H new ATOM 0 HG SER A 574 16.248 1.927 -9.381 1.00 0.00 H new ATOM 248 N SER A 575 13.855 0.001 -6.265 1.00 0.00 N ATOM 249 CA SER A 575 12.444 -0.334 -6.430 1.00 0.00 C ATOM 250 C SER A 575 11.980 -1.292 -5.339 1.00 0.00 C ATOM 251 O SER A 575 12.796 -1.887 -4.635 1.00 0.00 O ATOM 252 CB SER A 575 12.200 -0.954 -7.806 1.00 0.00 C ATOM 253 OG SER A 575 13.402 -1.036 -8.552 1.00 0.00 O ATOM 0 H SER A 575 14.460 -0.799 -6.080 1.00 0.00 H new ATOM 0 HA SER A 575 11.868 0.588 -6.348 1.00 0.00 H new ATOM 0 HB2 SER A 575 11.773 -1.950 -7.688 1.00 0.00 H new ATOM 0 HB3 SER A 575 11.470 -0.357 -8.352 1.00 0.00 H new ATOM 0 HG SER A 575 13.217 -1.438 -9.427 1.00 0.00 H new ATOM 259 N ILE A 576 10.666 -1.433 -5.202 1.00 0.00 N ATOM 260 CA ILE A 576 10.092 -2.317 -4.196 1.00 0.00 C ATOM 261 C ILE A 576 8.651 -2.683 -4.543 1.00 0.00 C ATOM 262 O ILE A 576 7.927 -1.893 -5.150 1.00 0.00 O ATOM 263 CB ILE A 576 10.129 -1.667 -2.797 1.00 0.00 C ATOM 264 CG1 ILE A 576 9.566 -2.623 -1.741 1.00 0.00 C ATOM 265 CG2 ILE A 576 9.355 -0.357 -2.801 1.00 0.00 C ATOM 266 CD1 ILE A 576 9.720 -2.119 -0.321 1.00 0.00 C ATOM 0 H ILE A 576 9.978 -0.945 -5.776 1.00 0.00 H new ATOM 0 HA ILE A 576 10.697 -3.224 -4.183 1.00 0.00 H new ATOM 0 HB ILE A 576 11.168 -1.454 -2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 576 8.509 -2.793 -1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 576 10.067 -3.587 -1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 576 9.390 0.089 -1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 576 9.802 0.327 -3.522 1.00 0.00 H new ATOM 0 HG23 ILE A 576 8.318 -0.548 -3.076 1.00 0.00 H new ATOM 0 HD11 ILE A 576 9.299 -2.848 0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 576 10.777 -1.976 -0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 576 9.195 -1.170 -0.213 1.00 0.00 H new ATOM 278 N THR A 577 8.241 -3.886 -4.149 1.00 0.00 N ATOM 279 CA THR A 577 6.889 -4.361 -4.410 1.00 0.00 C ATOM 280 C THR A 577 6.278 -4.961 -3.151 1.00 0.00 C ATOM 281 O THR A 577 6.848 -5.869 -2.546 1.00 0.00 O ATOM 282 CB THR A 577 6.868 -5.415 -5.533 1.00 0.00 C ATOM 283 OG1 THR A 577 7.725 -5.005 -6.605 1.00 0.00 O ATOM 284 CG2 THR A 577 5.455 -5.619 -6.059 1.00 0.00 C ATOM 0 H THR A 577 8.830 -4.550 -3.646 1.00 0.00 H new ATOM 0 HA THR A 577 6.301 -3.500 -4.727 1.00 0.00 H new ATOM 0 HB THR A 577 7.225 -6.359 -5.121 1.00 0.00 H new ATOM 0 HG1 THR A 577 8.661 -5.112 -6.335 1.00 0.00 H new ATOM 0 HG21 THR A 577 5.466 -6.368 -6.851 1.00 0.00 H new ATOM 0 HG22 THR A 577 4.810 -5.958 -5.248 1.00 0.00 H new ATOM 0 HG23 THR A 577 5.075 -4.677 -6.455 1.00 0.00 H new ATOM 292 N LEU A 578 5.122 -4.441 -2.751 1.00 0.00 N ATOM 293 CA LEU A 578 4.445 -4.920 -1.553 1.00 0.00 C ATOM 294 C LEU A 578 3.204 -5.736 -1.901 1.00 0.00 C ATOM 295 O LEU A 578 2.590 -5.538 -2.949 1.00 0.00 O ATOM 296 CB LEU A 578 4.053 -3.736 -0.668 1.00 0.00 C ATOM 297 CG LEU A 578 5.207 -2.817 -0.265 1.00 0.00 C ATOM 298 CD1 LEU A 578 4.675 -1.488 0.247 1.00 0.00 C ATOM 299 CD2 LEU A 578 6.083 -3.481 0.787 1.00 0.00 C ATOM 0 H LEU A 578 4.636 -3.689 -3.239 1.00 0.00 H new ATOM 0 HA LEU A 578 5.136 -5.569 -1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 578 3.303 -3.143 -1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 578 3.581 -4.119 0.237 1.00 0.00 H new ATOM 0 HG LEU A 578 5.818 -2.629 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 578 5.510 -0.846 0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 578 4.093 -1.003 -0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 578 4.040 -1.661 1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 578 6.897 -2.810 1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 578 5.485 -3.703 1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 578 6.495 -4.407 0.386 1.00 0.00 H new ATOM 311 N SER A 579 2.838 -6.647 -1.004 1.00 0.00 N ATOM 312 CA SER A 579 1.665 -7.493 -1.195 1.00 0.00 C ATOM 313 C SER A 579 0.829 -7.524 0.081 1.00 0.00 C ATOM 314 O SER A 579 1.370 -7.659 1.179 1.00 0.00 O ATOM 315 CB SER A 579 2.086 -8.913 -1.583 1.00 0.00 C ATOM 316 OG SER A 579 1.052 -9.579 -2.286 1.00 0.00 O ATOM 0 H SER A 579 3.340 -6.818 -0.133 1.00 0.00 H new ATOM 0 HA SER A 579 1.064 -7.077 -2.003 1.00 0.00 H new ATOM 0 HB2 SER A 579 2.983 -8.873 -2.201 1.00 0.00 H new ATOM 0 HB3 SER A 579 2.342 -9.477 -0.686 1.00 0.00 H new ATOM 0 HG SER A 579 1.347 -10.483 -2.523 1.00 0.00 H new ATOM 322 N TRP A 580 -0.485 -7.388 -0.062 1.00 0.00 N ATOM 323 CA TRP A 580 -1.379 -7.387 1.092 1.00 0.00 C ATOM 324 C TRP A 580 -2.698 -8.090 0.778 1.00 0.00 C ATOM 325 O TRP A 580 -2.987 -8.407 -0.376 1.00 0.00 O ATOM 326 CB TRP A 580 -1.650 -5.950 1.538 1.00 0.00 C ATOM 327 CG TRP A 580 -2.250 -5.107 0.453 1.00 0.00 C ATOM 328 CD1 TRP A 580 -3.577 -4.873 0.236 1.00 0.00 C ATOM 329 CD2 TRP A 580 -1.544 -4.397 -0.568 1.00 0.00 C ATOM 330 NE1 TRP A 580 -3.739 -4.060 -0.860 1.00 0.00 N ATOM 331 CE2 TRP A 580 -2.505 -3.754 -1.371 1.00 0.00 C ATOM 332 CE3 TRP A 580 -0.190 -4.241 -0.881 1.00 0.00 C ATOM 333 CZ2 TRP A 580 -2.154 -2.968 -2.467 1.00 0.00 C ATOM 334 CZ3 TRP A 580 0.157 -3.462 -1.967 1.00 0.00 C ATOM 335 CH2 TRP A 580 -0.821 -2.833 -2.749 1.00 0.00 C ATOM 0 H TRP A 580 -0.954 -7.277 -0.961 1.00 0.00 H new ATOM 0 HA TRP A 580 -0.889 -7.935 1.897 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -2.322 -5.962 2.396 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -0.717 -5.496 1.870 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -4.382 -5.269 0.838 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -4.632 -3.737 -1.232 1.00 0.00 H new ATOM 0 HE3 TRP A 580 0.571 -4.721 -0.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -2.906 -2.483 -3.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 1.200 -3.335 -2.218 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -0.517 -2.229 -3.591 1.00 0.00 H new ATOM 346 N THR A 581 -3.493 -8.326 1.818 1.00 0.00 N ATOM 347 CA THR A 581 -4.782 -8.990 1.668 1.00 0.00 C ATOM 348 C THR A 581 -5.861 -8.007 1.226 1.00 0.00 C ATOM 349 O THR A 581 -6.199 -7.074 1.954 1.00 0.00 O ATOM 350 CB THR A 581 -5.223 -9.661 2.982 1.00 0.00 C ATOM 351 OG1 THR A 581 -4.102 -10.300 3.605 1.00 0.00 O ATOM 352 CG2 THR A 581 -6.320 -10.686 2.730 1.00 0.00 C ATOM 0 H THR A 581 -3.265 -8.065 2.777 1.00 0.00 H new ATOM 0 HA THR A 581 -4.656 -9.754 0.901 1.00 0.00 H new ATOM 0 HB THR A 581 -5.617 -8.888 3.642 1.00 0.00 H new ATOM 0 HG1 THR A 581 -4.390 -10.723 4.441 1.00 0.00 H new ATOM 0 HG21 THR A 581 -6.613 -11.145 3.674 1.00 0.00 H new ATOM 0 HG22 THR A 581 -7.183 -10.193 2.283 1.00 0.00 H new ATOM 0 HG23 THR A 581 -5.950 -11.455 2.052 1.00 0.00 H new ATOM 360 N ALA A 582 -6.398 -8.225 0.030 1.00 0.00 N ATOM 361 CA ALA A 582 -7.439 -7.359 -0.510 1.00 0.00 C ATOM 362 C ALA A 582 -8.690 -7.399 0.361 1.00 0.00 C ATOM 363 O ALA A 582 -8.914 -8.359 1.100 1.00 0.00 O ATOM 364 CB ALA A 582 -7.775 -7.762 -1.938 1.00 0.00 C ATOM 0 H ALA A 582 -6.129 -8.994 -0.584 1.00 0.00 H new ATOM 0 HA ALA A 582 -7.061 -6.337 -0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 582 -8.554 -7.106 -2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 582 -6.884 -7.676 -2.560 1.00 0.00 H new ATOM 0 HB3 ALA A 582 -8.129 -8.793 -1.951 1.00 0.00 H new ATOM 370 N SER A 583 -9.501 -6.352 0.267 1.00 0.00 N ATOM 371 CA SER A 583 -10.731 -6.265 1.045 1.00 0.00 C ATOM 372 C SER A 583 -11.747 -7.297 0.567 1.00 0.00 C ATOM 373 O SER A 583 -11.812 -7.614 -0.620 1.00 0.00 O ATOM 374 CB SER A 583 -11.324 -4.858 0.940 1.00 0.00 C ATOM 375 OG SER A 583 -12.741 -4.896 0.973 1.00 0.00 O ATOM 0 H SER A 583 -9.329 -5.551 -0.341 1.00 0.00 H new ATOM 0 HA SER A 583 -10.492 -6.473 2.088 1.00 0.00 H new ATOM 0 HB2 SER A 583 -10.955 -4.243 1.760 1.00 0.00 H new ATOM 0 HB3 SER A 583 -10.991 -4.388 0.014 1.00 0.00 H new ATOM 0 HG SER A 583 -13.096 -4.630 0.099 1.00 0.00 H new ATOM 381 N THR A 584 -12.541 -7.816 1.499 1.00 0.00 N ATOM 382 CA THR A 584 -13.557 -8.810 1.171 1.00 0.00 C ATOM 383 C THR A 584 -14.825 -8.147 0.647 1.00 0.00 C ATOM 384 O THR A 584 -15.903 -8.743 0.664 1.00 0.00 O ATOM 385 CB THR A 584 -13.913 -9.676 2.396 1.00 0.00 C ATOM 386 OG1 THR A 584 -14.378 -8.845 3.465 1.00 0.00 O ATOM 387 CG2 THR A 584 -12.710 -10.483 2.861 1.00 0.00 C ATOM 0 H THR A 584 -12.500 -7.565 2.487 1.00 0.00 H new ATOM 0 HA THR A 584 -13.136 -9.448 0.394 1.00 0.00 H new ATOM 0 HB THR A 584 -14.702 -10.369 2.104 1.00 0.00 H new ATOM 0 HG1 THR A 584 -14.604 -9.403 4.239 1.00 0.00 H new ATOM 0 HG21 THR A 584 -12.988 -11.085 3.726 1.00 0.00 H new ATOM 0 HG22 THR A 584 -12.377 -11.137 2.055 1.00 0.00 H new ATOM 0 HG23 THR A 584 -11.901 -9.805 3.135 1.00 0.00 H new ATOM 395 N ASP A 585 -14.690 -6.910 0.178 1.00 0.00 N ATOM 396 CA ASP A 585 -15.824 -6.164 -0.354 1.00 0.00 C ATOM 397 C ASP A 585 -15.415 -5.371 -1.591 1.00 0.00 C ATOM 398 O ASP A 585 -15.317 -4.144 -1.553 1.00 0.00 O ATOM 399 CB ASP A 585 -16.388 -5.223 0.710 1.00 0.00 C ATOM 400 CG ASP A 585 -17.087 -5.972 1.828 1.00 0.00 C ATOM 401 OD1 ASP A 585 -18.301 -6.239 1.696 1.00 0.00 O ATOM 402 OD2 ASP A 585 -16.422 -6.292 2.835 1.00 0.00 O ATOM 0 H ASP A 585 -13.805 -6.403 0.156 1.00 0.00 H new ATOM 0 HA ASP A 585 -16.597 -6.877 -0.640 1.00 0.00 H new ATOM 0 HB2 ASP A 585 -15.579 -4.624 1.128 1.00 0.00 H new ATOM 0 HB3 ASP A 585 -17.090 -4.531 0.245 1.00 0.00 H new ATOM 407 N ASN A 586 -15.174 -6.083 -2.688 1.00 0.00 N ATOM 408 CA ASN A 586 -14.772 -5.452 -3.940 1.00 0.00 C ATOM 409 C ASN A 586 -15.989 -4.983 -4.731 1.00 0.00 C ATOM 410 O ASN A 586 -15.919 -4.805 -5.948 1.00 0.00 O ATOM 411 CB ASN A 586 -13.946 -6.424 -4.785 1.00 0.00 C ATOM 412 CG ASN A 586 -14.270 -7.875 -4.485 1.00 0.00 C ATOM 413 OD1 ASN A 586 -13.741 -8.457 -3.539 1.00 0.00 O ATOM 414 ND2 ASN A 586 -15.144 -8.467 -5.291 1.00 0.00 N ATOM 0 H ASN A 586 -15.250 -7.099 -2.735 1.00 0.00 H new ATOM 0 HA ASN A 586 -14.162 -4.582 -3.697 1.00 0.00 H new ATOM 0 HB2 ASN A 586 -14.127 -6.226 -5.841 1.00 0.00 H new ATOM 0 HB3 ASN A 586 -12.886 -6.247 -4.604 1.00 0.00 H new ATOM 0 HD21 ASN A 586 -15.400 -9.442 -5.137 1.00 0.00 H new ATOM 0 HD22 ASN A 586 -15.559 -7.946 -6.064 1.00 0.00 H new ATOM 421 N VAL A 587 -17.102 -4.783 -4.034 1.00 0.00 N ATOM 422 CA VAL A 587 -18.333 -4.334 -4.672 1.00 0.00 C ATOM 423 C VAL A 587 -18.363 -2.814 -4.793 1.00 0.00 C ATOM 424 O VAL A 587 -19.373 -2.232 -5.193 1.00 0.00 O ATOM 425 CB VAL A 587 -19.577 -4.803 -3.893 1.00 0.00 C ATOM 426 CG1 VAL A 587 -20.771 -4.946 -4.823 1.00 0.00 C ATOM 427 CG2 VAL A 587 -19.300 -6.115 -3.171 1.00 0.00 C ATOM 0 H VAL A 587 -17.177 -4.925 -3.027 1.00 0.00 H new ATOM 0 HA VAL A 587 -18.353 -4.777 -5.668 1.00 0.00 H new ATOM 0 HB VAL A 587 -19.814 -4.046 -3.145 1.00 0.00 H new ATOM 0 HG11 VAL A 587 -21.639 -5.278 -4.253 1.00 0.00 H new ATOM 0 HG12 VAL A 587 -20.988 -3.984 -5.287 1.00 0.00 H new ATOM 0 HG13 VAL A 587 -20.544 -5.679 -5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 587 -20.192 -6.427 -2.628 1.00 0.00 H new ATOM 0 HG22 VAL A 587 -19.032 -6.881 -3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 587 -18.477 -5.977 -2.469 1.00 0.00 H new ATOM 437 N GLY A 588 -17.250 -2.176 -4.444 1.00 0.00 N ATOM 438 CA GLY A 588 -17.166 -0.728 -4.520 1.00 0.00 C ATOM 439 C GLY A 588 -15.739 -0.239 -4.658 1.00 0.00 C ATOM 440 O GLY A 588 -15.495 0.844 -5.190 1.00 0.00 O ATOM 0 H GLY A 588 -16.404 -2.636 -4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 588 -17.751 -0.377 -5.370 1.00 0.00 H new ATOM 0 HA3 GLY A 588 -17.611 -0.293 -3.625 1.00 0.00 H new ATOM 444 N VAL A 589 -14.794 -1.040 -4.177 1.00 0.00 N ATOM 445 CA VAL A 589 -13.380 -0.689 -4.246 1.00 0.00 C ATOM 446 C VAL A 589 -12.891 -0.654 -5.690 1.00 0.00 C ATOM 447 O VAL A 589 -13.275 -1.492 -6.507 1.00 0.00 O ATOM 448 CB VAL A 589 -12.516 -1.683 -3.447 1.00 0.00 C ATOM 449 CG1 VAL A 589 -11.088 -1.175 -3.325 1.00 0.00 C ATOM 450 CG2 VAL A 589 -13.121 -1.931 -2.074 1.00 0.00 C ATOM 0 H VAL A 589 -14.983 -1.939 -3.734 1.00 0.00 H new ATOM 0 HA VAL A 589 -13.279 0.304 -3.808 1.00 0.00 H new ATOM 0 HB VAL A 589 -12.493 -2.630 -3.986 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -10.494 -1.891 -2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -10.658 -1.055 -4.320 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -11.086 -0.214 -2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -12.498 -2.636 -1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -13.177 -0.991 -1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -14.123 -2.345 -2.187 1.00 0.00 H new ATOM 460 N THR A 590 -12.044 0.324 -5.998 1.00 0.00 N ATOM 461 CA THR A 590 -11.503 0.473 -7.344 1.00 0.00 C ATOM 462 C THR A 590 -9.992 0.262 -7.357 1.00 0.00 C ATOM 463 O THR A 590 -9.473 -0.524 -8.149 1.00 0.00 O ATOM 464 CB THR A 590 -11.820 1.863 -7.924 1.00 0.00 C ATOM 465 OG1 THR A 590 -11.471 2.880 -6.977 1.00 0.00 O ATOM 466 CG2 THR A 590 -13.295 1.979 -8.277 1.00 0.00 C ATOM 0 H THR A 590 -11.718 1.025 -5.333 1.00 0.00 H new ATOM 0 HA THR A 590 -11.978 -0.289 -7.962 1.00 0.00 H new ATOM 0 HB THR A 590 -11.233 1.995 -8.833 1.00 0.00 H new ATOM 0 HG1 THR A 590 -11.674 3.762 -7.354 1.00 0.00 H new ATOM 0 HG21 THR A 590 -13.495 2.970 -8.685 1.00 0.00 H new ATOM 0 HG22 THR A 590 -13.552 1.223 -9.019 1.00 0.00 H new ATOM 0 HG23 THR A 590 -13.897 1.828 -7.381 1.00 0.00 H new ATOM 474 N GLY A 591 -9.291 0.971 -6.477 1.00 0.00 N ATOM 475 CA GLY A 591 -7.847 0.846 -6.407 1.00 0.00 C ATOM 476 C GLY A 591 -7.321 0.956 -4.990 1.00 0.00 C ATOM 477 O GLY A 591 -8.091 1.138 -4.046 1.00 0.00 O ATOM 0 H GLY A 591 -9.697 1.629 -5.812 1.00 0.00 H new ATOM 0 HA2 GLY A 591 -7.548 -0.114 -6.828 1.00 0.00 H new ATOM 0 HA3 GLY A 591 -7.389 1.620 -7.022 1.00 0.00 H new ATOM 481 N TYR A 592 -6.004 0.842 -4.841 1.00 0.00 N ATOM 482 CA TYR A 592 -5.371 0.927 -3.529 1.00 0.00 C ATOM 483 C TYR A 592 -4.187 1.889 -3.554 1.00 0.00 C ATOM 484 O TYR A 592 -3.228 1.690 -4.300 1.00 0.00 O ATOM 485 CB TYR A 592 -4.905 -0.457 -3.075 1.00 0.00 C ATOM 486 CG TYR A 592 -6.037 -1.422 -2.806 1.00 0.00 C ATOM 487 CD1 TYR A 592 -6.626 -2.134 -3.843 1.00 0.00 C ATOM 488 CD2 TYR A 592 -6.516 -1.621 -1.518 1.00 0.00 C ATOM 489 CE1 TYR A 592 -7.661 -3.018 -3.604 1.00 0.00 C ATOM 490 CE2 TYR A 592 -7.550 -2.504 -1.271 1.00 0.00 C ATOM 491 CZ TYR A 592 -8.119 -3.200 -2.317 1.00 0.00 C ATOM 492 OH TYR A 592 -9.149 -4.078 -2.074 1.00 0.00 O ATOM 0 H TYR A 592 -5.355 0.691 -5.613 1.00 0.00 H new ATOM 0 HA TYR A 592 -6.109 1.307 -2.823 1.00 0.00 H new ATOM 0 HB2 TYR A 592 -4.253 -0.880 -3.839 1.00 0.00 H new ATOM 0 HB3 TYR A 592 -4.307 -0.350 -2.170 1.00 0.00 H new ATOM 0 HD1 TYR A 592 -6.269 -1.994 -4.853 1.00 0.00 H new ATOM 0 HD2 TYR A 592 -6.074 -1.077 -0.696 1.00 0.00 H new ATOM 0 HE1 TYR A 592 -8.109 -3.563 -4.422 1.00 0.00 H new ATOM 0 HE2 TYR A 592 -7.911 -2.648 -0.263 1.00 0.00 H new ATOM 0 HH TYR A 592 -8.955 -4.937 -2.504 1.00 0.00 H new ATOM 502 N ASP A 593 -4.259 2.927 -2.727 1.00 0.00 N ATOM 503 CA ASP A 593 -3.193 3.918 -2.646 1.00 0.00 C ATOM 504 C ASP A 593 -2.301 3.642 -1.442 1.00 0.00 C ATOM 505 O ASP A 593 -2.775 3.598 -0.306 1.00 0.00 O ATOM 506 CB ASP A 593 -3.778 5.327 -2.545 1.00 0.00 C ATOM 507 CG ASP A 593 -5.170 5.425 -3.141 1.00 0.00 C ATOM 508 OD1 ASP A 593 -5.373 4.911 -4.262 1.00 0.00 O ATOM 509 OD2 ASP A 593 -6.057 6.012 -2.487 1.00 0.00 O ATOM 0 H ASP A 593 -5.046 3.103 -2.103 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.594 3.849 -3.554 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -3.813 5.628 -1.498 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -3.118 6.028 -3.056 1.00 0.00 H new ATOM 514 N VAL A 594 -1.010 3.451 -1.693 1.00 0.00 N ATOM 515 CA VAL A 594 -0.064 3.173 -0.619 1.00 0.00 C ATOM 516 C VAL A 594 0.746 4.416 -0.259 1.00 0.00 C ATOM 517 O VAL A 594 1.185 5.162 -1.135 1.00 0.00 O ATOM 518 CB VAL A 594 0.889 2.010 -0.990 1.00 0.00 C ATOM 519 CG1 VAL A 594 1.047 1.909 -2.495 1.00 0.00 C ATOM 520 CG2 VAL A 594 2.245 2.164 -0.315 1.00 0.00 C ATOM 0 H VAL A 594 -0.597 3.483 -2.625 1.00 0.00 H new ATOM 0 HA VAL A 594 -0.648 2.875 0.251 1.00 0.00 H new ATOM 0 HB VAL A 594 0.442 1.085 -0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 594 1.720 1.086 -2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 594 0.074 1.727 -2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 594 1.461 2.841 -2.881 1.00 0.00 H new ATOM 0 HG21 VAL A 594 2.889 1.331 -0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 594 2.704 3.101 -0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 594 2.114 2.171 0.767 1.00 0.00 H new ATOM 530 N TYR A 595 0.939 4.628 1.040 1.00 0.00 N ATOM 531 CA TYR A 595 1.695 5.774 1.529 1.00 0.00 C ATOM 532 C TYR A 595 3.125 5.368 1.874 1.00 0.00 C ATOM 533 O TYR A 595 3.421 4.186 2.046 1.00 0.00 O ATOM 534 CB TYR A 595 1.018 6.372 2.765 1.00 0.00 C ATOM 535 CG TYR A 595 -0.382 6.888 2.512 1.00 0.00 C ATOM 536 CD1 TYR A 595 -0.591 8.178 2.039 1.00 0.00 C ATOM 537 CD2 TYR A 595 -1.494 6.088 2.748 1.00 0.00 C ATOM 538 CE1 TYR A 595 -1.866 8.657 1.811 1.00 0.00 C ATOM 539 CE2 TYR A 595 -2.775 6.560 2.521 1.00 0.00 C ATOM 540 CZ TYR A 595 -2.954 7.844 2.053 1.00 0.00 C ATOM 541 OH TYR A 595 -4.226 8.318 1.825 1.00 0.00 O ATOM 0 H TYR A 595 0.580 4.018 1.774 1.00 0.00 H new ATOM 0 HA TYR A 595 1.722 6.524 0.738 1.00 0.00 H new ATOM 0 HB2 TYR A 595 0.979 5.614 3.547 1.00 0.00 H new ATOM 0 HB3 TYR A 595 1.632 7.189 3.143 1.00 0.00 H new ATOM 0 HD1 TYR A 595 0.258 8.817 1.846 1.00 0.00 H new ATOM 0 HD2 TYR A 595 -1.356 5.082 3.115 1.00 0.00 H new ATOM 0 HE1 TYR A 595 -2.011 9.663 1.445 1.00 0.00 H new ATOM 0 HE2 TYR A 595 -3.629 5.926 2.709 1.00 0.00 H new ATOM 0 HH TYR A 595 -4.879 7.621 2.044 1.00 0.00 H new ATOM 551 N ASN A 596 4.004 6.358 1.972 1.00 0.00 N ATOM 552 CA ASN A 596 5.405 6.112 2.296 1.00 0.00 C ATOM 553 C ASN A 596 5.933 7.181 3.247 1.00 0.00 C ATOM 554 O ASN A 596 6.455 8.210 2.813 1.00 0.00 O ATOM 555 CB ASN A 596 6.243 6.083 1.015 1.00 0.00 C ATOM 556 CG ASN A 596 7.729 5.983 1.295 1.00 0.00 C ATOM 557 OD1 ASN A 596 8.177 5.104 2.030 1.00 0.00 O ATOM 558 ND2 ASN A 596 8.503 6.888 0.708 1.00 0.00 N ATOM 0 H ASN A 596 3.771 7.341 1.831 1.00 0.00 H new ATOM 0 HA ASN A 596 5.481 5.144 2.791 1.00 0.00 H new ATOM 0 HB2 ASN A 596 5.934 5.236 0.402 1.00 0.00 H new ATOM 0 HB3 ASN A 596 6.046 6.985 0.435 1.00 0.00 H new ATOM 0 HD21 ASN A 596 9.512 6.872 0.859 1.00 0.00 H new ATOM 0 HD22 ASN A 596 8.089 7.600 0.106 1.00 0.00 H new ATOM 565 N GLY A 597 5.785 6.938 4.546 1.00 0.00 N ATOM 566 CA GLY A 597 6.242 7.895 5.536 1.00 0.00 C ATOM 567 C GLY A 597 5.510 9.218 5.427 1.00 0.00 C ATOM 568 O GLY A 597 6.096 10.225 5.028 1.00 0.00 O ATOM 0 H GLY A 597 5.357 6.096 4.930 1.00 0.00 H new ATOM 0 HA2 GLY A 597 6.097 7.481 6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 597 7.312 8.061 5.412 1.00 0.00 H new ATOM 572 N THR A 598 4.223 9.207 5.772 1.00 0.00 N ATOM 573 CA THR A 598 3.389 10.404 5.705 1.00 0.00 C ATOM 574 C THR A 598 3.513 11.085 4.345 1.00 0.00 C ATOM 575 O THR A 598 3.467 12.312 4.243 1.00 0.00 O ATOM 576 CB THR A 598 3.737 11.411 6.819 1.00 0.00 C ATOM 577 OG1 THR A 598 5.093 11.850 6.687 1.00 0.00 O ATOM 578 CG2 THR A 598 3.531 10.789 8.191 1.00 0.00 C ATOM 0 H THR A 598 3.734 8.376 6.103 1.00 0.00 H new ATOM 0 HA THR A 598 2.360 10.076 5.849 1.00 0.00 H new ATOM 0 HB THR A 598 3.072 12.269 6.720 1.00 0.00 H new ATOM 0 HG1 THR A 598 5.445 11.567 5.817 1.00 0.00 H new ATOM 0 HG21 THR A 598 3.783 11.517 8.962 1.00 0.00 H new ATOM 0 HG22 THR A 598 2.489 10.489 8.302 1.00 0.00 H new ATOM 0 HG23 THR A 598 4.174 9.915 8.294 1.00 0.00 H new ATOM 586 N ALA A 599 3.668 10.274 3.303 1.00 0.00 N ATOM 587 CA ALA A 599 3.796 10.781 1.944 1.00 0.00 C ATOM 588 C ALA A 599 3.430 9.705 0.929 1.00 0.00 C ATOM 589 O ALA A 599 4.220 8.799 0.661 1.00 0.00 O ATOM 590 CB ALA A 599 5.210 11.285 1.696 1.00 0.00 C ATOM 0 H ALA A 599 3.708 9.257 3.377 1.00 0.00 H new ATOM 0 HA ALA A 599 3.103 11.614 1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 599 5.289 11.660 0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 599 5.438 12.088 2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 599 5.918 10.468 1.838 1.00 0.00 H new ATOM 596 N LEU A 600 2.224 9.807 0.377 1.00 0.00 N ATOM 597 CA LEU A 600 1.739 8.842 -0.605 1.00 0.00 C ATOM 598 C LEU A 600 2.772 8.601 -1.702 1.00 0.00 C ATOM 599 O LEU A 600 3.206 9.535 -2.377 1.00 0.00 O ATOM 600 CB LEU A 600 0.426 9.330 -1.220 1.00 0.00 C ATOM 601 CG LEU A 600 -0.143 8.441 -2.327 1.00 0.00 C ATOM 602 CD1 LEU A 600 -1.549 7.983 -1.977 1.00 0.00 C ATOM 603 CD2 LEU A 600 -0.138 9.181 -3.657 1.00 0.00 C ATOM 0 H LEU A 600 1.562 10.552 0.595 1.00 0.00 H new ATOM 0 HA LEU A 600 1.566 7.897 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 600 -0.318 9.418 -0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 600 0.582 10.331 -1.623 1.00 0.00 H new ATOM 0 HG LEU A 600 0.490 7.559 -2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 600 -1.936 7.352 -2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 600 -1.526 7.416 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 600 -2.195 8.852 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 600 -0.546 8.535 -4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 600 -0.748 10.080 -3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 600 0.884 9.459 -3.915 1.00 0.00 H new ATOM 615 N ALA A 601 3.161 7.341 -1.872 1.00 0.00 N ATOM 616 CA ALA A 601 4.144 6.974 -2.884 1.00 0.00 C ATOM 617 C ALA A 601 3.466 6.571 -4.192 1.00 0.00 C ATOM 618 O ALA A 601 3.079 7.427 -4.987 1.00 0.00 O ATOM 619 CB ALA A 601 5.035 5.851 -2.372 1.00 0.00 C ATOM 0 H ALA A 601 2.810 6.557 -1.322 1.00 0.00 H new ATOM 0 HA ALA A 601 4.764 7.847 -3.087 1.00 0.00 H new ATOM 0 HB1 ALA A 601 5.764 5.587 -3.138 1.00 0.00 H new ATOM 0 HB2 ALA A 601 5.556 6.181 -1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 601 4.424 4.980 -2.138 1.00 0.00 H new ATOM 625 N THR A 602 3.327 5.265 -4.412 1.00 0.00 N ATOM 626 CA THR A 602 2.700 4.761 -5.627 1.00 0.00 C ATOM 627 C THR A 602 1.195 4.574 -5.449 1.00 0.00 C ATOM 628 O THR A 602 0.672 4.638 -4.334 1.00 0.00 O ATOM 629 CB THR A 602 3.328 3.427 -6.073 1.00 0.00 C ATOM 630 OG1 THR A 602 2.698 2.960 -7.272 1.00 0.00 O ATOM 631 CG2 THR A 602 3.199 2.374 -4.984 1.00 0.00 C ATOM 0 H THR A 602 3.640 4.541 -3.766 1.00 0.00 H new ATOM 0 HA THR A 602 2.872 5.511 -6.399 1.00 0.00 H new ATOM 0 HB THR A 602 4.387 3.600 -6.265 1.00 0.00 H new ATOM 0 HG1 THR A 602 3.281 2.309 -7.716 1.00 0.00 H new ATOM 0 HG21 THR A 602 3.650 1.442 -5.324 1.00 0.00 H new ATOM 0 HG22 THR A 602 3.709 2.717 -4.084 1.00 0.00 H new ATOM 0 HG23 THR A 602 2.145 2.207 -4.762 1.00 0.00 H new ATOM 639 N THR A 603 0.510 4.336 -6.564 1.00 0.00 N ATOM 640 CA THR A 603 -0.933 4.132 -6.561 1.00 0.00 C ATOM 641 C THR A 603 -1.311 2.992 -7.496 1.00 0.00 C ATOM 642 O THR A 603 -1.215 3.120 -8.717 1.00 0.00 O ATOM 643 CB THR A 603 -1.686 5.406 -6.991 1.00 0.00 C ATOM 644 OG1 THR A 603 -0.813 6.541 -6.914 1.00 0.00 O ATOM 645 CG2 THR A 603 -2.905 5.638 -6.112 1.00 0.00 C ATOM 0 H THR A 603 0.937 4.280 -7.489 1.00 0.00 H new ATOM 0 HA THR A 603 -1.222 3.884 -5.540 1.00 0.00 H new ATOM 0 HB THR A 603 -2.020 5.273 -8.020 1.00 0.00 H new ATOM 0 HG1 THR A 603 -1.298 7.346 -7.190 1.00 0.00 H new ATOM 0 HG21 THR A 603 -3.420 6.543 -6.435 1.00 0.00 H new ATOM 0 HG22 THR A 603 -3.581 4.787 -6.195 1.00 0.00 H new ATOM 0 HG23 THR A 603 -2.589 5.751 -5.075 1.00 0.00 H new ATOM 653 N VAL A 604 -1.727 1.871 -6.919 1.00 0.00 N ATOM 654 CA VAL A 604 -2.104 0.703 -7.704 1.00 0.00 C ATOM 655 C VAL A 604 -3.610 0.470 -7.684 1.00 0.00 C ATOM 656 O VAL A 604 -4.374 1.310 -7.206 1.00 0.00 O ATOM 657 CB VAL A 604 -1.393 -0.562 -7.188 1.00 0.00 C ATOM 658 CG1 VAL A 604 0.096 -0.494 -7.483 1.00 0.00 C ATOM 659 CG2 VAL A 604 -1.640 -0.740 -5.697 1.00 0.00 C ATOM 0 H VAL A 604 -1.812 1.747 -5.910 1.00 0.00 H new ATOM 0 HA VAL A 604 -1.794 0.903 -8.730 1.00 0.00 H new ATOM 0 HB VAL A 604 -1.804 -1.427 -7.708 1.00 0.00 H new ATOM 0 HG11 VAL A 604 0.582 -1.396 -7.111 1.00 0.00 H new ATOM 0 HG12 VAL A 604 0.251 -0.416 -8.559 1.00 0.00 H new ATOM 0 HG13 VAL A 604 0.525 0.379 -6.990 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.131 -1.638 -5.349 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -1.256 0.127 -5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 604 -2.710 -0.836 -5.514 1.00 0.00 H new ATOM 669 N THR A 605 -4.027 -0.679 -8.209 1.00 0.00 N ATOM 670 CA THR A 605 -5.439 -1.037 -8.258 1.00 0.00 C ATOM 671 C THR A 605 -5.634 -2.520 -7.953 1.00 0.00 C ATOM 672 O THR A 605 -6.755 -3.028 -7.988 1.00 0.00 O ATOM 673 CB THR A 605 -6.049 -0.726 -9.638 1.00 0.00 C ATOM 674 OG1 THR A 605 -5.245 -1.308 -10.672 1.00 0.00 O ATOM 675 CG2 THR A 605 -6.157 0.775 -9.860 1.00 0.00 C ATOM 0 H THR A 605 -3.403 -1.380 -8.608 1.00 0.00 H new ATOM 0 HA THR A 605 -5.947 -0.439 -7.502 1.00 0.00 H new ATOM 0 HB THR A 605 -7.051 -1.154 -9.670 1.00 0.00 H new ATOM 0 HG1 THR A 605 -5.640 -1.107 -11.546 1.00 0.00 H new ATOM 0 HG21 THR A 605 -6.591 0.967 -10.841 1.00 0.00 H new ATOM 0 HG22 THR A 605 -6.793 1.212 -9.090 1.00 0.00 H new ATOM 0 HG23 THR A 605 -5.165 1.223 -9.808 1.00 0.00 H new ATOM 683 N GLY A 606 -4.535 -3.207 -7.652 1.00 0.00 N ATOM 684 CA GLY A 606 -4.604 -4.625 -7.345 1.00 0.00 C ATOM 685 C GLY A 606 -4.208 -4.928 -5.913 1.00 0.00 C ATOM 686 O GLY A 606 -4.653 -4.254 -4.983 1.00 0.00 O ATOM 0 H GLY A 606 -3.598 -2.807 -7.615 1.00 0.00 H new ATOM 0 HA2 GLY A 606 -5.618 -4.983 -7.522 1.00 0.00 H new ATOM 0 HA3 GLY A 606 -3.950 -5.173 -8.023 1.00 0.00 H new ATOM 690 N THR A 607 -3.371 -5.945 -5.736 1.00 0.00 N ATOM 691 CA THR A 607 -2.915 -6.339 -4.408 1.00 0.00 C ATOM 692 C THR A 607 -1.425 -6.066 -4.232 1.00 0.00 C ATOM 693 O THR A 607 -0.872 -6.265 -3.151 1.00 0.00 O ATOM 694 CB THR A 607 -3.188 -7.830 -4.139 1.00 0.00 C ATOM 695 OG1 THR A 607 -2.582 -8.632 -5.159 1.00 0.00 O ATOM 696 CG2 THR A 607 -4.684 -8.106 -4.094 1.00 0.00 C ATOM 0 H THR A 607 -2.995 -6.512 -6.496 1.00 0.00 H new ATOM 0 HA THR A 607 -3.477 -5.740 -3.692 1.00 0.00 H new ATOM 0 HB THR A 607 -2.756 -8.086 -3.171 1.00 0.00 H new ATOM 0 HG1 THR A 607 -2.759 -9.579 -4.979 1.00 0.00 H new ATOM 0 HG21 THR A 607 -4.853 -9.166 -3.903 1.00 0.00 H new ATOM 0 HG22 THR A 607 -5.139 -7.517 -3.298 1.00 0.00 H new ATOM 0 HG23 THR A 607 -5.133 -7.834 -5.049 1.00 0.00 H new ATOM 704 N THR A 608 -0.780 -5.610 -5.301 1.00 0.00 N ATOM 705 CA THR A 608 0.647 -5.311 -5.261 1.00 0.00 C ATOM 706 C THR A 608 0.909 -3.840 -5.566 1.00 0.00 C ATOM 707 O THR A 608 0.130 -3.195 -6.266 1.00 0.00 O ATOM 708 CB THR A 608 1.434 -6.177 -6.263 1.00 0.00 C ATOM 709 OG1 THR A 608 0.663 -6.378 -7.453 1.00 0.00 O ATOM 710 CG2 THR A 608 1.792 -7.522 -5.650 1.00 0.00 C ATOM 0 H THR A 608 -1.222 -5.440 -6.204 1.00 0.00 H new ATOM 0 HA THR A 608 0.987 -5.538 -4.251 1.00 0.00 H new ATOM 0 HB THR A 608 2.356 -5.653 -6.515 1.00 0.00 H new ATOM 0 HG1 THR A 608 1.173 -6.928 -8.084 1.00 0.00 H new ATOM 0 HG21 THR A 608 2.347 -8.116 -6.376 1.00 0.00 H new ATOM 0 HG22 THR A 608 2.406 -7.366 -4.763 1.00 0.00 H new ATOM 0 HG23 THR A 608 0.880 -8.049 -5.371 1.00 0.00 H new ATOM 718 N ALA A 609 2.013 -3.315 -5.039 1.00 0.00 N ATOM 719 CA ALA A 609 2.379 -1.919 -5.255 1.00 0.00 C ATOM 720 C ALA A 609 3.866 -1.784 -5.567 1.00 0.00 C ATOM 721 O ALA A 609 4.713 -2.231 -4.795 1.00 0.00 O ATOM 722 CB ALA A 609 2.016 -1.085 -4.035 1.00 0.00 C ATOM 0 H ALA A 609 2.670 -3.837 -4.459 1.00 0.00 H new ATOM 0 HA ALA A 609 1.819 -1.550 -6.114 1.00 0.00 H new ATOM 0 HB1 ALA A 609 2.294 -0.046 -4.209 1.00 0.00 H new ATOM 0 HB2 ALA A 609 0.942 -1.148 -3.857 1.00 0.00 H new ATOM 0 HB3 ALA A 609 2.551 -1.463 -3.164 1.00 0.00 H new ATOM 728 N THR A 610 4.174 -1.169 -6.705 1.00 0.00 N ATOM 729 CA THR A 610 5.560 -0.979 -7.120 1.00 0.00 C ATOM 730 C THR A 610 5.993 0.474 -6.960 1.00 0.00 C ATOM 731 O THR A 610 5.271 1.394 -7.345 1.00 0.00 O ATOM 732 CB THR A 610 5.773 -1.406 -8.584 1.00 0.00 C ATOM 733 OG1 THR A 610 5.156 -2.677 -8.820 1.00 0.00 O ATOM 734 CG2 THR A 610 7.257 -1.488 -8.912 1.00 0.00 C ATOM 0 H THR A 610 3.484 -0.794 -7.355 1.00 0.00 H new ATOM 0 HA THR A 610 6.169 -1.609 -6.472 1.00 0.00 H new ATOM 0 HB THR A 610 5.314 -0.656 -9.228 1.00 0.00 H new ATOM 0 HG1 THR A 610 5.295 -2.940 -9.754 1.00 0.00 H new ATOM 0 HG21 THR A 610 7.384 -1.791 -9.951 1.00 0.00 H new ATOM 0 HG22 THR A 610 7.718 -0.512 -8.760 1.00 0.00 H new ATOM 0 HG23 THR A 610 7.734 -2.220 -8.260 1.00 0.00 H new ATOM 742 N ILE A 611 7.179 0.672 -6.393 1.00 0.00 N ATOM 743 CA ILE A 611 7.717 2.011 -6.181 1.00 0.00 C ATOM 744 C ILE A 611 9.054 2.181 -6.899 1.00 0.00 C ATOM 745 O ILE A 611 9.893 1.280 -6.888 1.00 0.00 O ATOM 746 CB ILE A 611 7.905 2.307 -4.678 1.00 0.00 C ATOM 747 CG1 ILE A 611 6.551 2.318 -3.965 1.00 0.00 C ATOM 748 CG2 ILE A 611 8.621 3.636 -4.478 1.00 0.00 C ATOM 749 CD1 ILE A 611 6.188 0.994 -3.328 1.00 0.00 C ATOM 0 H ILE A 611 7.787 -0.081 -6.071 1.00 0.00 H new ATOM 0 HA ILE A 611 6.996 2.717 -6.592 1.00 0.00 H new ATOM 0 HB ILE A 611 8.520 1.518 -4.246 1.00 0.00 H new ATOM 0 HG12 ILE A 611 6.562 3.090 -3.196 1.00 0.00 H new ATOM 0 HG13 ILE A 611 5.776 2.591 -4.681 1.00 0.00 H new ATOM 0 HG21 ILE A 611 8.744 3.826 -3.412 1.00 0.00 H new ATOM 0 HG22 ILE A 611 9.600 3.597 -4.955 1.00 0.00 H new ATOM 0 HG23 ILE A 611 8.032 4.437 -4.924 1.00 0.00 H new ATOM 0 HD11 ILE A 611 5.216 1.078 -2.842 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.144 0.221 -4.095 1.00 0.00 H new ATOM 0 HD13 ILE A 611 6.942 0.728 -2.587 1.00 0.00 H new ATOM 761 N SER A 612 9.244 3.341 -7.519 1.00 0.00 N ATOM 762 CA SER A 612 10.480 3.629 -8.240 1.00 0.00 C ATOM 763 C SER A 612 11.207 4.817 -7.616 1.00 0.00 C ATOM 764 O SER A 612 10.616 5.589 -6.859 1.00 0.00 O ATOM 765 CB SER A 612 10.181 3.913 -9.713 1.00 0.00 C ATOM 766 OG SER A 612 9.365 2.899 -10.272 1.00 0.00 O ATOM 0 H SER A 612 8.559 4.097 -7.537 1.00 0.00 H new ATOM 0 HA SER A 612 11.126 2.754 -8.171 1.00 0.00 H new ATOM 0 HB2 SER A 612 9.683 4.878 -9.807 1.00 0.00 H new ATOM 0 HB3 SER A 612 11.115 3.981 -10.270 1.00 0.00 H new ATOM 0 HG SER A 612 9.187 3.104 -11.213 1.00 0.00 H new ATOM 772 N GLY A 613 12.491 4.954 -7.934 1.00 0.00 N ATOM 773 CA GLY A 613 13.276 6.047 -7.391 1.00 0.00 C ATOM 774 C GLY A 613 13.466 5.930 -5.891 1.00 0.00 C ATOM 775 O GLY A 613 12.776 6.596 -5.118 1.00 0.00 O ATOM 0 H GLY A 613 13.001 4.328 -8.557 1.00 0.00 H new ATOM 0 HA2 GLY A 613 14.251 6.068 -7.878 1.00 0.00 H new ATOM 0 HA3 GLY A 613 12.785 6.993 -7.620 1.00 0.00 H new ATOM 779 N LEU A 614 14.398 5.077 -5.478 1.00 0.00 N ATOM 780 CA LEU A 614 14.671 4.872 -4.060 1.00 0.00 C ATOM 781 C LEU A 614 16.171 4.856 -3.787 1.00 0.00 C ATOM 782 O LEU A 614 16.971 4.545 -4.671 1.00 0.00 O ATOM 783 CB LEU A 614 14.037 3.559 -3.587 1.00 0.00 C ATOM 784 CG LEU A 614 13.086 3.679 -2.390 1.00 0.00 C ATOM 785 CD1 LEU A 614 12.178 4.888 -2.541 1.00 0.00 C ATOM 786 CD2 LEU A 614 12.261 2.409 -2.242 1.00 0.00 C ATOM 0 H LEU A 614 14.976 4.517 -6.104 1.00 0.00 H new ATOM 0 HA LEU A 614 14.233 5.702 -3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 614 13.490 3.119 -4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 614 14.835 2.864 -3.327 1.00 0.00 H new ATOM 0 HG LEU A 614 13.684 3.814 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 614 11.512 4.953 -1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 614 12.783 5.793 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 614 11.586 4.787 -3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 614 11.590 2.508 -1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 614 11.675 2.248 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 614 12.926 1.560 -2.084 1.00 0.00 H new ATOM 798 N ALA A 615 16.545 5.193 -2.557 1.00 0.00 N ATOM 799 CA ALA A 615 17.949 5.220 -2.163 1.00 0.00 C ATOM 800 C ALA A 615 18.377 3.883 -1.569 1.00 0.00 C ATOM 801 O ALA A 615 17.540 3.065 -1.189 1.00 0.00 O ATOM 802 CB ALA A 615 18.195 6.344 -1.166 1.00 0.00 C ATOM 0 H ALA A 615 15.894 5.451 -1.815 1.00 0.00 H new ATOM 0 HA ALA A 615 18.548 5.401 -3.055 1.00 0.00 H new ATOM 0 HB1 ALA A 615 19.247 6.353 -0.880 1.00 0.00 H new ATOM 0 HB2 ALA A 615 17.935 7.299 -1.623 1.00 0.00 H new ATOM 0 HB3 ALA A 615 17.580 6.186 -0.280 1.00 0.00 H new ATOM 808 N ALA A 616 19.686 3.670 -1.493 1.00 0.00 N ATOM 809 CA ALA A 616 20.230 2.434 -0.943 1.00 0.00 C ATOM 810 C ALA A 616 20.442 2.555 0.562 1.00 0.00 C ATOM 811 O ALA A 616 20.577 3.660 1.086 1.00 0.00 O ATOM 812 CB ALA A 616 21.537 2.079 -1.637 1.00 0.00 C ATOM 0 H ALA A 616 20.391 4.338 -1.806 1.00 0.00 H new ATOM 0 HA ALA A 616 19.510 1.635 -1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 616 21.933 1.154 -1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 616 21.358 1.946 -2.704 1.00 0.00 H new ATOM 0 HB3 ALA A 616 22.258 2.883 -1.488 1.00 0.00 H new ATOM 818 N ASP A 617 20.469 1.410 1.244 1.00 0.00 N ATOM 819 CA ASP A 617 20.661 1.364 2.695 1.00 0.00 C ATOM 820 C ASP A 617 19.884 2.475 3.398 1.00 0.00 C ATOM 821 O ASP A 617 20.462 3.300 4.107 1.00 0.00 O ATOM 822 CB ASP A 617 22.152 1.450 3.050 1.00 0.00 C ATOM 823 CG ASP A 617 22.855 2.614 2.378 1.00 0.00 C ATOM 824 OD1 ASP A 617 22.852 3.722 2.954 1.00 0.00 O ATOM 825 OD2 ASP A 617 23.408 2.417 1.275 1.00 0.00 O ATOM 0 H ASP A 617 20.359 0.493 0.810 1.00 0.00 H new ATOM 0 HA ASP A 617 20.272 0.408 3.046 1.00 0.00 H new ATOM 0 HB2 ASP A 617 22.258 1.544 4.131 1.00 0.00 H new ATOM 0 HB3 ASP A 617 22.643 0.521 2.761 1.00 0.00 H new ATOM 830 N THR A 618 18.569 2.488 3.196 1.00 0.00 N ATOM 831 CA THR A 618 17.708 3.494 3.809 1.00 0.00 C ATOM 832 C THR A 618 16.462 2.855 4.413 1.00 0.00 C ATOM 833 O THR A 618 15.967 1.844 3.916 1.00 0.00 O ATOM 834 CB THR A 618 17.274 4.564 2.789 1.00 0.00 C ATOM 835 OG1 THR A 618 18.379 4.915 1.948 1.00 0.00 O ATOM 836 CG2 THR A 618 16.754 5.807 3.495 1.00 0.00 C ATOM 0 H THR A 618 18.077 1.812 2.612 1.00 0.00 H new ATOM 0 HA THR A 618 18.292 3.969 4.597 1.00 0.00 H new ATOM 0 HB THR A 618 16.471 4.149 2.180 1.00 0.00 H new ATOM 0 HG1 THR A 618 18.763 4.103 1.557 1.00 0.00 H new ATOM 0 HG21 THR A 618 16.454 6.548 2.754 1.00 0.00 H new ATOM 0 HG22 THR A 618 15.895 5.543 4.112 1.00 0.00 H new ATOM 0 HG23 THR A 618 17.540 6.223 4.126 1.00 0.00 H new ATOM 844 N SER A 619 15.958 3.455 5.488 1.00 0.00 N ATOM 845 CA SER A 619 14.767 2.950 6.162 1.00 0.00 C ATOM 846 C SER A 619 13.503 3.521 5.526 1.00 0.00 C ATOM 847 O SER A 619 13.392 4.732 5.327 1.00 0.00 O ATOM 848 CB SER A 619 14.811 3.305 7.648 1.00 0.00 C ATOM 849 OG SER A 619 14.879 4.708 7.836 1.00 0.00 O ATOM 0 H SER A 619 16.357 4.293 5.911 1.00 0.00 H new ATOM 0 HA SER A 619 14.748 1.865 6.056 1.00 0.00 H new ATOM 0 HB2 SER A 619 13.925 2.911 8.146 1.00 0.00 H new ATOM 0 HB3 SER A 619 15.675 2.830 8.113 1.00 0.00 H new ATOM 0 HG SER A 619 14.455 5.161 7.077 1.00 0.00 H new ATOM 855 N TYR A 620 12.556 2.645 5.205 1.00 0.00 N ATOM 856 CA TYR A 620 11.305 3.070 4.586 1.00 0.00 C ATOM 857 C TYR A 620 10.099 2.400 5.237 1.00 0.00 C ATOM 858 O TYR A 620 10.097 1.192 5.474 1.00 0.00 O ATOM 859 CB TYR A 620 11.316 2.746 3.091 1.00 0.00 C ATOM 860 CG TYR A 620 12.343 3.526 2.302 1.00 0.00 C ATOM 861 CD1 TYR A 620 12.218 4.899 2.128 1.00 0.00 C ATOM 862 CD2 TYR A 620 13.434 2.888 1.726 1.00 0.00 C ATOM 863 CE1 TYR A 620 13.152 5.613 1.402 1.00 0.00 C ATOM 864 CE2 TYR A 620 14.372 3.596 1.000 1.00 0.00 C ATOM 865 CZ TYR A 620 14.227 4.957 0.841 1.00 0.00 C ATOM 866 OH TYR A 620 15.159 5.666 0.117 1.00 0.00 O ATOM 0 H TYR A 620 12.630 1.640 5.362 1.00 0.00 H new ATOM 0 HA TYR A 620 11.220 4.147 4.730 1.00 0.00 H new ATOM 0 HB2 TYR A 620 11.506 1.680 2.962 1.00 0.00 H new ATOM 0 HB3 TYR A 620 10.327 2.946 2.679 1.00 0.00 H new ATOM 0 HD1 TYR A 620 11.378 5.416 2.567 1.00 0.00 H new ATOM 0 HD2 TYR A 620 13.551 1.821 1.848 1.00 0.00 H new ATOM 0 HE1 TYR A 620 13.040 6.680 1.275 1.00 0.00 H new ATOM 0 HE2 TYR A 620 15.215 3.085 0.559 1.00 0.00 H new ATOM 0 HH TYR A 620 15.216 6.581 0.464 1.00 0.00 H new ATOM 876 N THR A 621 9.068 3.196 5.503 1.00 0.00 N ATOM 877 CA THR A 621 7.840 2.692 6.104 1.00 0.00 C ATOM 878 C THR A 621 6.685 2.831 5.117 1.00 0.00 C ATOM 879 O THR A 621 6.468 3.906 4.557 1.00 0.00 O ATOM 880 CB THR A 621 7.489 3.444 7.401 1.00 0.00 C ATOM 881 OG1 THR A 621 7.142 4.802 7.103 1.00 0.00 O ATOM 882 CG2 THR A 621 8.659 3.420 8.373 1.00 0.00 C ATOM 0 H THR A 621 9.060 4.198 5.310 1.00 0.00 H new ATOM 0 HA THR A 621 8.001 1.642 6.350 1.00 0.00 H new ATOM 0 HB THR A 621 6.638 2.944 7.864 1.00 0.00 H new ATOM 0 HG1 THR A 621 6.813 4.861 6.182 1.00 0.00 H new ATOM 0 HG21 THR A 621 8.388 3.957 9.282 1.00 0.00 H new ATOM 0 HG22 THR A 621 8.905 2.387 8.621 1.00 0.00 H new ATOM 0 HG23 THR A 621 9.524 3.898 7.913 1.00 0.00 H new ATOM 890 N PHE A 622 5.959 1.741 4.885 1.00 0.00 N ATOM 891 CA PHE A 622 4.849 1.766 3.940 1.00 0.00 C ATOM 892 C PHE A 622 3.520 1.407 4.599 1.00 0.00 C ATOM 893 O PHE A 622 3.473 0.935 5.735 1.00 0.00 O ATOM 894 CB PHE A 622 5.117 0.805 2.782 1.00 0.00 C ATOM 895 CG PHE A 622 6.274 1.208 1.913 1.00 0.00 C ATOM 896 CD1 PHE A 622 6.173 2.301 1.066 1.00 0.00 C ATOM 897 CD2 PHE A 622 7.464 0.499 1.946 1.00 0.00 C ATOM 898 CE1 PHE A 622 7.237 2.678 0.268 1.00 0.00 C ATOM 899 CE2 PHE A 622 8.532 0.871 1.151 1.00 0.00 C ATOM 900 CZ PHE A 622 8.413 1.948 0.298 1.00 0.00 C ATOM 0 H PHE A 622 6.117 0.839 5.333 1.00 0.00 H new ATOM 0 HA PHE A 622 4.773 2.787 3.566 1.00 0.00 H new ATOM 0 HB2 PHE A 622 5.307 -0.190 3.185 1.00 0.00 H new ATOM 0 HB3 PHE A 622 4.220 0.734 2.166 1.00 0.00 H new ATOM 0 HD1 PHE A 622 5.252 2.864 1.029 1.00 0.00 H new ATOM 0 HD2 PHE A 622 7.558 -0.355 2.601 1.00 0.00 H new ATOM 0 HE1 PHE A 622 7.151 3.540 -0.377 1.00 0.00 H new ATOM 0 HE2 PHE A 622 9.459 0.319 1.198 1.00 0.00 H new ATOM 0 HZ PHE A 622 9.236 2.222 -0.346 1.00 0.00 H new ATOM 910 N THR A 623 2.446 1.635 3.850 1.00 0.00 N ATOM 911 CA THR A 623 1.087 1.349 4.295 1.00 0.00 C ATOM 912 C THR A 623 0.140 1.429 3.105 1.00 0.00 C ATOM 913 O THR A 623 0.418 2.139 2.142 1.00 0.00 O ATOM 914 CB THR A 623 0.622 2.338 5.381 1.00 0.00 C ATOM 915 OG1 THR A 623 1.413 3.531 5.333 1.00 0.00 O ATOM 916 CG2 THR A 623 0.723 1.713 6.765 1.00 0.00 C ATOM 0 H THR A 623 2.495 2.027 2.909 1.00 0.00 H new ATOM 0 HA THR A 623 1.078 0.347 4.724 1.00 0.00 H new ATOM 0 HB THR A 623 -0.421 2.587 5.187 1.00 0.00 H new ATOM 0 HG1 THR A 623 1.109 4.153 6.026 1.00 0.00 H new ATOM 0 HG21 THR A 623 0.389 2.431 7.514 1.00 0.00 H new ATOM 0 HG22 THR A 623 0.094 0.824 6.809 1.00 0.00 H new ATOM 0 HG23 THR A 623 1.758 1.436 6.964 1.00 0.00 H new ATOM 924 N VAL A 624 -0.968 0.699 3.152 1.00 0.00 N ATOM 925 CA VAL A 624 -1.916 0.712 2.041 1.00 0.00 C ATOM 926 C VAL A 624 -3.289 1.220 2.460 1.00 0.00 C ATOM 927 O VAL A 624 -3.664 1.156 3.631 1.00 0.00 O ATOM 928 CB VAL A 624 -2.075 -0.680 1.400 1.00 0.00 C ATOM 929 CG1 VAL A 624 -1.742 -0.616 -0.082 1.00 0.00 C ATOM 930 CG2 VAL A 624 -1.201 -1.707 2.104 1.00 0.00 C ATOM 0 H VAL A 624 -1.231 0.099 3.934 1.00 0.00 H new ATOM 0 HA VAL A 624 -1.494 1.398 1.306 1.00 0.00 H new ATOM 0 HB VAL A 624 -3.113 -0.993 1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 624 -1.858 -1.606 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 624 -2.416 0.084 -0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 624 -0.713 -0.280 -0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 624 -1.332 -2.681 1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 624 -0.156 -1.406 2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 624 -1.488 -1.771 3.154 1.00 0.00 H new ATOM 940 N LYS A 625 -4.032 1.730 1.483 1.00 0.00 N ATOM 941 CA LYS A 625 -5.367 2.260 1.721 1.00 0.00 C ATOM 942 C LYS A 625 -6.308 1.889 0.578 1.00 0.00 C ATOM 943 O LYS A 625 -5.906 1.868 -0.585 1.00 0.00 O ATOM 944 CB LYS A 625 -5.298 3.770 1.884 1.00 0.00 C ATOM 945 CG LYS A 625 -5.034 4.189 3.318 1.00 0.00 C ATOM 946 CD LYS A 625 -6.160 5.041 3.849 1.00 0.00 C ATOM 947 CE LYS A 625 -5.899 5.470 5.281 1.00 0.00 C ATOM 948 NZ LYS A 625 -4.749 6.411 5.382 1.00 0.00 N ATOM 0 H LYS A 625 -3.727 1.787 0.511 1.00 0.00 H new ATOM 0 HA LYS A 625 -5.761 1.820 2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 625 -4.510 4.166 1.243 1.00 0.00 H new ATOM 0 HB3 LYS A 625 -6.236 4.212 1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 625 -4.917 3.304 3.943 1.00 0.00 H new ATOM 0 HG3 LYS A 625 -4.097 4.744 3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 625 -6.280 5.923 3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 625 -7.095 4.484 3.799 1.00 0.00 H new ATOM 0 HE2 LYS A 625 -6.793 5.945 5.685 1.00 0.00 H new ATOM 0 HE3 LYS A 625 -5.702 4.590 5.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 625 -4.669 6.757 6.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 625 -3.873 5.918 5.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 625 -4.901 7.216 4.741 1.00 0.00 H new ATOM 962 N ALA A 626 -7.560 1.593 0.914 1.00 0.00 N ATOM 963 CA ALA A 626 -8.551 1.219 -0.090 1.00 0.00 C ATOM 964 C ALA A 626 -9.477 2.383 -0.421 1.00 0.00 C ATOM 965 O ALA A 626 -10.063 2.995 0.471 1.00 0.00 O ATOM 966 CB ALA A 626 -9.360 0.022 0.387 1.00 0.00 C ATOM 0 H ALA A 626 -7.912 1.605 1.871 1.00 0.00 H new ATOM 0 HA ALA A 626 -8.016 0.948 -1.000 1.00 0.00 H new ATOM 0 HB1 ALA A 626 -10.095 -0.246 -0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 626 -8.693 -0.822 0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 626 -9.872 0.276 1.315 1.00 0.00 H new ATOM 972 N LYS A 627 -9.610 2.679 -1.711 1.00 0.00 N ATOM 973 CA LYS A 627 -10.473 3.767 -2.166 1.00 0.00 C ATOM 974 C LYS A 627 -11.585 3.232 -3.064 1.00 0.00 C ATOM 975 O LYS A 627 -11.356 2.343 -3.884 1.00 0.00 O ATOM 976 CB LYS A 627 -9.656 4.821 -2.919 1.00 0.00 C ATOM 977 CG LYS A 627 -8.469 4.248 -3.678 1.00 0.00 C ATOM 978 CD LYS A 627 -8.742 4.183 -5.174 1.00 0.00 C ATOM 979 CE LYS A 627 -8.039 5.307 -5.920 1.00 0.00 C ATOM 980 NZ LYS A 627 -8.613 5.518 -7.277 1.00 0.00 N ATOM 0 H LYS A 627 -9.131 2.181 -2.461 1.00 0.00 H new ATOM 0 HA LYS A 627 -10.924 4.231 -1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 627 -10.308 5.340 -3.621 1.00 0.00 H new ATOM 0 HB3 LYS A 627 -9.296 5.565 -2.208 1.00 0.00 H new ATOM 0 HG2 LYS A 627 -7.588 4.862 -3.494 1.00 0.00 H new ATOM 0 HG3 LYS A 627 -8.245 3.249 -3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 627 -8.408 3.222 -5.564 1.00 0.00 H new ATOM 0 HD3 LYS A 627 -9.816 4.243 -5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 627 -8.119 6.230 -5.345 1.00 0.00 H new ATOM 0 HE3 LYS A 627 -6.977 5.076 -6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 627 -8.106 6.292 -7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 627 -8.514 4.646 -7.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 627 -9.620 5.764 -7.194 1.00 0.00 H new ATOM 994 N ASP A 628 -12.788 3.777 -2.904 1.00 0.00 N ATOM 995 CA ASP A 628 -13.930 3.349 -3.705 1.00 0.00 C ATOM 996 C ASP A 628 -14.256 4.385 -4.780 1.00 0.00 C ATOM 997 O ASP A 628 -13.733 5.500 -4.759 1.00 0.00 O ATOM 998 CB ASP A 628 -15.146 3.092 -2.804 1.00 0.00 C ATOM 999 CG ASP A 628 -16.191 4.187 -2.883 1.00 0.00 C ATOM 1000 OD1 ASP A 628 -15.850 5.352 -2.590 1.00 0.00 O ATOM 1001 OD2 ASP A 628 -17.347 3.881 -3.241 1.00 0.00 O ATOM 0 H ASP A 628 -12.996 4.513 -2.229 1.00 0.00 H new ATOM 0 HA ASP A 628 -13.672 2.416 -4.207 1.00 0.00 H new ATOM 0 HB2 ASP A 628 -15.603 2.142 -3.083 1.00 0.00 H new ATOM 0 HB3 ASP A 628 -14.810 2.993 -1.772 1.00 0.00 H new ATOM 1006 N ALA A 629 -15.110 4.005 -5.726 1.00 0.00 N ATOM 1007 CA ALA A 629 -15.493 4.895 -6.820 1.00 0.00 C ATOM 1008 C ALA A 629 -16.293 6.096 -6.323 1.00 0.00 C ATOM 1009 O ALA A 629 -16.229 7.178 -6.907 1.00 0.00 O ATOM 1010 CB ALA A 629 -16.289 4.128 -7.863 1.00 0.00 C ATOM 0 H ALA A 629 -15.551 3.086 -5.758 1.00 0.00 H new ATOM 0 HA ALA A 629 -14.577 5.276 -7.272 1.00 0.00 H new ATOM 0 HB1 ALA A 629 -16.569 4.800 -8.674 1.00 0.00 H new ATOM 0 HB2 ALA A 629 -15.681 3.315 -8.260 1.00 0.00 H new ATOM 0 HB3 ALA A 629 -17.189 3.717 -7.405 1.00 0.00 H new ATOM 1016 N ALA A 630 -17.056 5.899 -5.252 1.00 0.00 N ATOM 1017 CA ALA A 630 -17.877 6.968 -4.692 1.00 0.00 C ATOM 1018 C ALA A 630 -17.048 7.923 -3.837 1.00 0.00 C ATOM 1019 O ALA A 630 -17.592 8.822 -3.195 1.00 0.00 O ATOM 1020 CB ALA A 630 -19.017 6.383 -3.872 1.00 0.00 C ATOM 0 H ALA A 630 -17.123 5.011 -4.755 1.00 0.00 H new ATOM 0 HA ALA A 630 -18.291 7.539 -5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -19.621 7.191 -3.460 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -19.638 5.754 -4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -18.609 5.784 -3.058 1.00 0.00 H new ATOM 1026 N GLY A 631 -15.734 7.727 -3.835 1.00 0.00 N ATOM 1027 CA GLY A 631 -14.858 8.584 -3.056 1.00 0.00 C ATOM 1028 C GLY A 631 -14.888 8.253 -1.575 1.00 0.00 C ATOM 1029 O GLY A 631 -15.403 9.029 -0.770 1.00 0.00 O ATOM 0 H GLY A 631 -15.260 6.991 -4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 631 -13.837 8.487 -3.426 1.00 0.00 H new ATOM 0 HA3 GLY A 631 -15.152 9.624 -3.199 1.00 0.00 H new ATOM 1033 N ASN A 632 -14.333 7.100 -1.218 1.00 0.00 N ATOM 1034 CA ASN A 632 -14.296 6.663 0.174 1.00 0.00 C ATOM 1035 C ASN A 632 -13.045 5.835 0.447 1.00 0.00 C ATOM 1036 O ASN A 632 -12.794 4.836 -0.226 1.00 0.00 O ATOM 1037 CB ASN A 632 -15.545 5.848 0.510 1.00 0.00 C ATOM 1038 CG ASN A 632 -16.805 6.693 0.505 1.00 0.00 C ATOM 1039 OD1 ASN A 632 -16.974 7.581 1.339 1.00 0.00 O ATOM 1040 ND2 ASN A 632 -17.697 6.419 -0.441 1.00 0.00 N ATOM 0 H ASN A 632 -13.902 6.449 -1.874 1.00 0.00 H new ATOM 0 HA ASN A 632 -14.271 7.550 0.808 1.00 0.00 H new ATOM 0 HB2 ASN A 632 -15.651 5.037 -0.211 1.00 0.00 H new ATOM 0 HB3 ASN A 632 -15.423 5.388 1.491 1.00 0.00 H new ATOM 0 HD21 ASN A 632 -18.563 6.955 -0.496 1.00 0.00 H new ATOM 0 HD22 ASN A 632 -17.515 5.673 -1.113 1.00 0.00 H new ATOM 1047 N VAL A 633 -12.260 6.259 1.432 1.00 0.00 N ATOM 1048 CA VAL A 633 -11.032 5.555 1.781 1.00 0.00 C ATOM 1049 C VAL A 633 -11.126 4.906 3.159 1.00 0.00 C ATOM 1050 O VAL A 633 -11.659 5.492 4.102 1.00 0.00 O ATOM 1051 CB VAL A 633 -9.816 6.498 1.750 1.00 0.00 C ATOM 1052 CG1 VAL A 633 -9.541 6.971 0.331 1.00 0.00 C ATOM 1053 CG2 VAL A 633 -10.039 7.679 2.678 1.00 0.00 C ATOM 0 H VAL A 633 -12.452 7.084 2.001 1.00 0.00 H new ATOM 0 HA VAL A 633 -10.899 4.774 1.032 1.00 0.00 H new ATOM 0 HB VAL A 633 -8.942 5.948 2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 633 -8.678 7.637 0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 633 -9.336 6.111 -0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 633 -10.411 7.505 -0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 633 -9.170 8.337 2.645 1.00 0.00 H new ATOM 0 HG22 VAL A 633 -10.924 8.230 2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 633 -10.183 7.319 3.697 1.00 0.00 H new ATOM 1063 N SER A 634 -10.595 3.692 3.264 1.00 0.00 N ATOM 1064 CA SER A 634 -10.604 2.955 4.522 1.00 0.00 C ATOM 1065 C SER A 634 -9.427 3.384 5.394 1.00 0.00 C ATOM 1066 O SER A 634 -8.802 4.412 5.136 1.00 0.00 O ATOM 1067 CB SER A 634 -10.536 1.450 4.247 1.00 0.00 C ATOM 1068 OG SER A 634 -9.721 1.177 3.123 1.00 0.00 O ATOM 0 H SER A 634 -10.152 3.197 2.490 1.00 0.00 H new ATOM 0 HA SER A 634 -11.530 3.176 5.053 1.00 0.00 H new ATOM 0 HB2 SER A 634 -10.140 0.934 5.122 1.00 0.00 H new ATOM 0 HB3 SER A 634 -11.540 1.062 4.076 1.00 0.00 H new ATOM 0 HG SER A 634 -8.785 1.111 3.406 1.00 0.00 H new ATOM 1074 N ALA A 635 -9.124 2.596 6.421 1.00 0.00 N ATOM 1075 CA ALA A 635 -8.015 2.906 7.314 1.00 0.00 C ATOM 1076 C ALA A 635 -6.691 2.445 6.714 1.00 0.00 C ATOM 1077 O ALA A 635 -6.667 1.610 5.809 1.00 0.00 O ATOM 1078 CB ALA A 635 -8.232 2.261 8.675 1.00 0.00 C ATOM 0 H ALA A 635 -9.629 1.741 6.654 1.00 0.00 H new ATOM 0 HA ALA A 635 -7.974 3.988 7.443 1.00 0.00 H new ATOM 0 HB1 ALA A 635 -7.395 2.502 9.330 1.00 0.00 H new ATOM 0 HB2 ALA A 635 -9.156 2.638 9.113 1.00 0.00 H new ATOM 0 HB3 ALA A 635 -8.301 1.179 8.558 1.00 0.00 H new ATOM 1084 N ALA A 636 -5.592 2.991 7.220 1.00 0.00 N ATOM 1085 CA ALA A 636 -4.268 2.629 6.728 1.00 0.00 C ATOM 1086 C ALA A 636 -3.866 1.242 7.220 1.00 0.00 C ATOM 1087 O ALA A 636 -4.194 0.852 8.340 1.00 0.00 O ATOM 1088 CB ALA A 636 -3.241 3.664 7.162 1.00 0.00 C ATOM 0 H ALA A 636 -5.591 3.684 7.968 1.00 0.00 H new ATOM 0 HA ALA A 636 -4.303 2.607 5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 636 -2.258 3.380 6.787 1.00 0.00 H new ATOM 0 HB2 ALA A 636 -3.515 4.639 6.760 1.00 0.00 H new ATOM 0 HB3 ALA A 636 -3.214 3.715 8.250 1.00 0.00 H new ATOM 1094 N SER A 637 -3.157 0.502 6.374 1.00 0.00 N ATOM 1095 CA SER A 637 -2.712 -0.843 6.720 1.00 0.00 C ATOM 1096 C SER A 637 -1.591 -0.804 7.753 1.00 0.00 C ATOM 1097 O SER A 637 -1.375 0.212 8.415 1.00 0.00 O ATOM 1098 CB SER A 637 -2.242 -1.582 5.471 1.00 0.00 C ATOM 1099 OG SER A 637 -2.748 -2.906 5.439 1.00 0.00 O ATOM 0 H SER A 637 -2.878 0.811 5.443 1.00 0.00 H new ATOM 0 HA SER A 637 -3.559 -1.375 7.154 1.00 0.00 H new ATOM 0 HB2 SER A 637 -2.569 -1.043 4.582 1.00 0.00 H new ATOM 0 HB3 SER A 637 -1.153 -1.605 5.447 1.00 0.00 H new ATOM 0 HG SER A 637 -3.504 -2.982 6.058 1.00 0.00 H new ATOM 1105 N ASN A 638 -0.879 -1.920 7.885 1.00 0.00 N ATOM 1106 CA ASN A 638 0.222 -2.019 8.835 1.00 0.00 C ATOM 1107 C ASN A 638 1.485 -1.376 8.271 1.00 0.00 C ATOM 1108 O ASN A 638 1.768 -1.486 7.077 1.00 0.00 O ATOM 1109 CB ASN A 638 0.492 -3.485 9.179 1.00 0.00 C ATOM 1110 CG ASN A 638 0.596 -3.721 10.672 1.00 0.00 C ATOM 1111 OD1 ASN A 638 1.397 -2.904 11.346 1.00 0.00 O flip ATOM 1112 ND2 ASN A 638 -0.037 -4.626 11.215 1.00 0.00 N flip ATOM 0 H ASN A 638 -1.046 -2.769 7.345 1.00 0.00 H new ATOM 0 HA ASN A 638 -0.062 -1.485 9.742 1.00 0.00 H new ATOM 0 HB2 ASN A 638 -0.308 -4.104 8.771 1.00 0.00 H new ATOM 0 HB3 ASN A 638 1.417 -3.803 8.699 1.00 0.00 H new ATOM 0 HD21 ASN A 638 -0.641 -5.231 10.659 1.00 0.00 H new ATOM 0 HD22 ASN A 638 0.043 -4.771 12.221 1.00 0.00 H new ATOM 1119 N ALA A 639 2.239 -0.706 9.136 1.00 0.00 N ATOM 1120 CA ALA A 639 3.471 -0.046 8.725 1.00 0.00 C ATOM 1121 C ALA A 639 4.616 -1.046 8.609 1.00 0.00 C ATOM 1122 O ALA A 639 5.024 -1.654 9.598 1.00 0.00 O ATOM 1123 CB ALA A 639 3.830 1.059 9.708 1.00 0.00 C ATOM 0 H ALA A 639 2.018 -0.606 10.127 1.00 0.00 H new ATOM 0 HA ALA A 639 3.308 0.396 7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 639 4.753 1.544 9.389 1.00 0.00 H new ATOM 0 HB2 ALA A 639 3.026 1.794 9.739 1.00 0.00 H new ATOM 0 HB3 ALA A 639 3.969 0.632 10.701 1.00 0.00 H new ATOM 1129 N VAL A 640 5.130 -1.211 7.395 1.00 0.00 N ATOM 1130 CA VAL A 640 6.228 -2.139 7.150 1.00 0.00 C ATOM 1131 C VAL A 640 7.560 -1.400 7.044 1.00 0.00 C ATOM 1132 O VAL A 640 7.675 -0.404 6.330 1.00 0.00 O ATOM 1133 CB VAL A 640 5.999 -2.962 5.866 1.00 0.00 C ATOM 1134 CG1 VAL A 640 5.928 -2.057 4.646 1.00 0.00 C ATOM 1135 CG2 VAL A 640 7.090 -4.008 5.697 1.00 0.00 C ATOM 0 H VAL A 640 4.804 -0.715 6.566 1.00 0.00 H new ATOM 0 HA VAL A 640 6.262 -2.819 8.001 1.00 0.00 H new ATOM 0 HB VAL A 640 5.043 -3.477 5.960 1.00 0.00 H new ATOM 0 HG11 VAL A 640 5.766 -2.661 3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 640 5.104 -1.353 4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 640 6.863 -1.506 4.546 1.00 0.00 H new ATOM 0 HG21 VAL A 640 6.910 -4.578 4.785 1.00 0.00 H new ATOM 0 HG22 VAL A 640 8.060 -3.515 5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 640 7.083 -4.682 6.553 1.00 0.00 H new ATOM 1145 N SER A 641 8.565 -1.898 7.758 1.00 0.00 N ATOM 1146 CA SER A 641 9.888 -1.287 7.742 1.00 0.00 C ATOM 1147 C SER A 641 10.861 -2.140 6.934 1.00 0.00 C ATOM 1148 O SER A 641 11.180 -3.266 7.319 1.00 0.00 O ATOM 1149 CB SER A 641 10.411 -1.109 9.169 1.00 0.00 C ATOM 1150 OG SER A 641 11.693 -0.502 9.171 1.00 0.00 O ATOM 0 H SER A 641 8.488 -2.722 8.354 1.00 0.00 H new ATOM 0 HA SER A 641 9.806 -0.307 7.272 1.00 0.00 H new ATOM 0 HB2 SER A 641 9.714 -0.496 9.741 1.00 0.00 H new ATOM 0 HB3 SER A 641 10.464 -2.079 9.664 1.00 0.00 H new ATOM 0 HG SER A 641 12.004 -0.398 10.094 1.00 0.00 H new ATOM 1156 N VAL A 642 11.322 -1.603 5.810 1.00 0.00 N ATOM 1157 CA VAL A 642 12.250 -2.321 4.945 1.00 0.00 C ATOM 1158 C VAL A 642 13.544 -1.539 4.745 1.00 0.00 C ATOM 1159 O VAL A 642 13.542 -0.309 4.732 1.00 0.00 O ATOM 1160 CB VAL A 642 11.623 -2.609 3.569 1.00 0.00 C ATOM 1161 CG1 VAL A 642 10.703 -3.819 3.645 1.00 0.00 C ATOM 1162 CG2 VAL A 642 10.872 -1.389 3.058 1.00 0.00 C ATOM 0 H VAL A 642 11.068 -0.673 5.477 1.00 0.00 H new ATOM 0 HA VAL A 642 12.475 -3.264 5.443 1.00 0.00 H new ATOM 0 HB VAL A 642 12.424 -2.834 2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 642 10.269 -4.008 2.663 1.00 0.00 H new ATOM 0 HG12 VAL A 642 11.274 -4.691 3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 642 9.906 -3.626 4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 642 10.436 -1.612 2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 642 10.080 -1.129 3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 642 11.562 -0.550 2.963 1.00 0.00 H new ATOM 1172 N LYS A 643 14.647 -2.265 4.586 1.00 0.00 N ATOM 1173 CA LYS A 643 15.949 -1.640 4.382 1.00 0.00 C ATOM 1174 C LYS A 643 16.457 -1.893 2.966 1.00 0.00 C ATOM 1175 O LYS A 643 16.711 -3.035 2.580 1.00 0.00 O ATOM 1176 CB LYS A 643 16.960 -2.166 5.404 1.00 0.00 C ATOM 1177 CG LYS A 643 18.291 -1.430 5.374 1.00 0.00 C ATOM 1178 CD LYS A 643 19.366 -2.182 6.142 1.00 0.00 C ATOM 1179 CE LYS A 643 19.178 -2.046 7.645 1.00 0.00 C ATOM 1180 NZ LYS A 643 19.647 -0.725 8.147 1.00 0.00 N ATOM 0 H LYS A 643 14.665 -3.285 4.595 1.00 0.00 H new ATOM 0 HA LYS A 643 15.833 -0.565 4.520 1.00 0.00 H new ATOM 0 HB2 LYS A 643 16.531 -2.085 6.403 1.00 0.00 H new ATOM 0 HB3 LYS A 643 17.135 -3.226 5.218 1.00 0.00 H new ATOM 0 HG2 LYS A 643 18.609 -1.295 4.340 1.00 0.00 H new ATOM 0 HG3 LYS A 643 18.167 -0.435 5.802 1.00 0.00 H new ATOM 0 HD2 LYS A 643 19.342 -3.236 5.865 1.00 0.00 H new ATOM 0 HD3 LYS A 643 20.348 -1.801 5.862 1.00 0.00 H new ATOM 0 HE2 LYS A 643 18.124 -2.175 7.892 1.00 0.00 H new ATOM 0 HE3 LYS A 643 19.724 -2.842 8.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 643 19.549 -0.692 9.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 643 20.646 -0.590 7.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 643 19.075 0.032 7.721 1.00 0.00 H new ATOM 1194 N THR A 644 16.603 -0.818 2.197 1.00 0.00 N ATOM 1195 CA THR A 644 17.080 -0.914 0.825 1.00 0.00 C ATOM 1196 C THR A 644 18.602 -0.992 0.775 1.00 0.00 C ATOM 1197 O THR A 644 19.170 -0.783 -0.318 1.00 0.00 O ATOM 1198 CB THR A 644 16.615 0.288 -0.013 1.00 0.00 C ATOM 1199 OG1 THR A 644 16.741 1.495 0.750 1.00 0.00 O ATOM 1200 CG2 THR A 644 15.170 0.112 -0.458 1.00 0.00 C ATOM 1201 OXT THR A 644 19.215 -1.261 1.830 1.00 0.00 O ATOM 0 H THR A 644 16.396 0.132 2.504 1.00 0.00 H new ATOM 0 HA THR A 644 16.658 -1.828 0.407 1.00 0.00 H new ATOM 0 HB THR A 644 17.246 0.351 -0.899 1.00 0.00 H new ATOM 0 HG1 THR A 644 17.276 2.145 0.248 1.00 0.00 H new ATOM 0 HG21 THR A 644 14.864 0.975 -1.049 1.00 0.00 H new ATOM 0 HG22 THR A 644 15.083 -0.791 -1.062 1.00 0.00 H new ATOM 0 HG23 THR A 644 14.527 0.026 0.418 1.00 0.00 H new TER 1209 THR A 644