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 564 THR OG1 : rot 180:sc= -0.493 USER MOD Set 1.2: A 581 THR OG1 : rot 85:sc= 1.26 USER MOD Set 2.1: A 572 THR OG1 : rot -4:sc= 1.61 USER MOD Set 2.2: A 574 SER OG : rot 180:sc= -0.0603 USER MOD Set 2.3: A 575 SER OG : rot 40:sc= 0.724 USER MOD Set 3.1: A 561 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 584 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 558 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 565 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.1) USER MOD Single : A 568 SER OG : rot 180:sc= 0 USER MOD Single : A 569 THR OG1 : rot 180:sc= 0 USER MOD Single : A 571 GLN : amide:sc= -1.91 X(o=-1.9,f=-2.3!) USER MOD Single : A 573 THR OG1 : rot 180:sc= 0 USER MOD Single : A 577 THR OG1 : rot 67:sc= 0.00133 USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 583 SER OG : rot 160:sc= 0.00972 USER MOD Single : A 586 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.19) USER MOD Single : A 590 THR OG1 : rot 180:sc= -0.0124 USER MOD Single : A 592 TYR OH : rot 165:sc= 0.301 USER MOD Single : A 595 TYR OH : rot 180:sc= 0 USER MOD Single : A 596 ASN : amide:sc= -2.22 K(o=-2.2,f=-6.6!) USER MOD Single : A 598 THR OG1 : rot 180:sc= 0 USER MOD Single : A 602 THR OG1 : rot 157:sc= 0.103 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= 0.0393 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 87:sc= 0.276 USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 620 TYR OH : rot 110:sc= 0.0284 USER MOD Single : A 621 THR OG1 : rot 180:sc= 0.00874 USER MOD Single : A 623 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 625 LYS NZ :NH3+ 173:sc= 0.127 (180deg=0.12) USER MOD Single : A 627 LYS NZ :NH3+ -154:sc= -0.0836 (180deg=-0.423) USER MOD Single : A 632 ASN :FLIP amide:sc= -0.135 F(o=-1.3,f=-0.13) USER MOD Single : A 634 SER OG : rot 85:sc= 0.999 USER MOD Single : A 637 SER OG : rot 56:sc= 1.21 USER MOD Single : A 638 ASN : amide:sc= -0.519 X(o=-0.52,f=-0.4) USER MOD Single : A 641 SER OG : rot 180:sc= 0 USER MOD Single : A 643 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 644 THR OG1 : rot 158:sc= 0.931 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 557 -20.467 6.734 6.658 1.00 0.00 N ATOM 2 CA HIS A 557 -19.230 5.911 6.607 1.00 0.00 C ATOM 3 C HIS A 557 -19.303 4.879 5.485 1.00 0.00 C ATOM 4 O HIS A 557 -19.242 3.673 5.730 1.00 0.00 O ATOM 5 CB HIS A 557 -19.051 5.215 7.958 1.00 0.00 C ATOM 6 CG HIS A 557 -18.361 6.061 8.983 1.00 0.00 C ATOM 7 ND1 HIS A 557 -17.041 6.446 8.878 1.00 0.00 N ATOM 8 CD2 HIS A 557 -18.816 6.598 10.139 1.00 0.00 C ATOM 9 CE1 HIS A 557 -16.714 7.181 9.925 1.00 0.00 C ATOM 10 NE2 HIS A 557 -17.773 7.289 10.706 1.00 0.00 N ATOM 0 HA HIS A 557 -18.376 6.557 6.403 1.00 0.00 H new ATOM 0 HB2 HIS A 557 -20.030 4.923 8.339 1.00 0.00 H new ATOM 0 HB3 HIS A 557 -18.480 4.298 7.812 1.00 0.00 H new ATOM 0 HD2 HIS A 557 -19.814 6.501 10.541 1.00 0.00 H new ATOM 0 HE1 HIS A 557 -15.745 7.619 10.111 1.00 0.00 H new ATOM 0 HE2 HIS A 557 -17.811 7.802 11.587 1.00 0.00 H new ATOM 21 N MET A 558 -19.435 5.363 4.254 1.00 0.00 N ATOM 22 CA MET A 558 -19.517 4.487 3.092 1.00 0.00 C ATOM 23 C MET A 558 -18.129 4.032 2.655 1.00 0.00 C ATOM 24 O MET A 558 -17.980 3.350 1.640 1.00 0.00 O ATOM 25 CB MET A 558 -20.218 5.204 1.938 1.00 0.00 C ATOM 26 CG MET A 558 -21.640 5.631 2.261 1.00 0.00 C ATOM 27 SD MET A 558 -22.436 6.483 0.887 1.00 0.00 S ATOM 28 CE MET A 558 -23.985 6.972 1.641 1.00 0.00 C ATOM 0 H MET A 558 -19.487 6.358 4.036 1.00 0.00 H new ATOM 0 HA MET A 558 -20.097 3.607 3.371 1.00 0.00 H new ATOM 0 HB2 MET A 558 -19.637 6.084 1.662 1.00 0.00 H new ATOM 0 HB3 MET A 558 -20.234 4.547 1.069 1.00 0.00 H new ATOM 0 HG2 MET A 558 -22.227 4.753 2.528 1.00 0.00 H new ATOM 0 HG3 MET A 558 -21.630 6.285 3.133 1.00 0.00 H new ATOM 0 HE1 MET A 558 -24.590 7.512 0.912 1.00 0.00 H new ATOM 0 HE2 MET A 558 -24.524 6.085 1.974 1.00 0.00 H new ATOM 0 HE3 MET A 558 -23.786 7.617 2.496 1.00 0.00 H new ATOM 38 N ALA A 559 -17.117 4.413 3.428 1.00 0.00 N ATOM 39 CA ALA A 559 -15.739 4.046 3.123 1.00 0.00 C ATOM 40 C ALA A 559 -15.574 2.527 3.076 1.00 0.00 C ATOM 41 O ALA A 559 -16.314 1.796 3.736 1.00 0.00 O ATOM 42 CB ALA A 559 -14.794 4.652 4.150 1.00 0.00 C ATOM 0 H ALA A 559 -17.226 4.976 4.271 1.00 0.00 H new ATOM 0 HA ALA A 559 -15.490 4.442 2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 559 -13.768 4.371 3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 559 -14.886 5.738 4.133 1.00 0.00 H new ATOM 0 HB3 ALA A 559 -15.050 4.282 5.143 1.00 0.00 H new ATOM 48 N PRO A 560 -14.598 2.032 2.294 1.00 0.00 N ATOM 49 CA PRO A 560 -14.342 0.592 2.169 1.00 0.00 C ATOM 50 C PRO A 560 -13.675 0.015 3.414 1.00 0.00 C ATOM 51 O PRO A 560 -13.848 0.533 4.517 1.00 0.00 O ATOM 52 CB PRO A 560 -13.402 0.511 0.968 1.00 0.00 C ATOM 53 CG PRO A 560 -12.678 1.811 0.973 1.00 0.00 C ATOM 54 CD PRO A 560 -13.665 2.830 1.473 1.00 0.00 C ATOM 0 HA PRO A 560 -15.260 0.017 2.049 1.00 0.00 H new ATOM 0 HB2 PRO A 560 -12.712 -0.328 1.060 1.00 0.00 H new ATOM 0 HB3 PRO A 560 -13.955 0.368 0.040 1.00 0.00 H new ATOM 0 HG2 PRO A 560 -11.801 1.767 1.619 1.00 0.00 H new ATOM 0 HG3 PRO A 560 -12.326 2.066 -0.027 1.00 0.00 H new ATOM 0 HD2 PRO A 560 -13.177 3.607 2.061 1.00 0.00 H new ATOM 0 HD3 PRO A 560 -14.179 3.328 0.651 1.00 0.00 H new ATOM 62 N THR A 561 -12.913 -1.060 3.230 1.00 0.00 N ATOM 63 CA THR A 561 -12.222 -1.702 4.341 1.00 0.00 C ATOM 64 C THR A 561 -10.710 -1.564 4.201 1.00 0.00 C ATOM 65 O THR A 561 -10.139 -1.896 3.162 1.00 0.00 O ATOM 66 CB THR A 561 -12.584 -3.197 4.444 1.00 0.00 C ATOM 67 OG1 THR A 561 -14.007 -3.362 4.388 1.00 0.00 O ATOM 68 CG2 THR A 561 -12.052 -3.795 5.738 1.00 0.00 C ATOM 0 H THR A 561 -12.760 -1.503 2.324 1.00 0.00 H new ATOM 0 HA THR A 561 -12.548 -1.196 5.250 1.00 0.00 H new ATOM 0 HB THR A 561 -12.124 -3.718 3.604 1.00 0.00 H new ATOM 0 HG1 THR A 561 -14.229 -4.314 4.452 1.00 0.00 H new ATOM 0 HG21 THR A 561 -12.320 -4.850 5.788 1.00 0.00 H new ATOM 0 HG22 THR A 561 -10.967 -3.694 5.766 1.00 0.00 H new ATOM 0 HG23 THR A 561 -12.488 -3.269 6.588 1.00 0.00 H new ATOM 76 N ALA A 562 -10.069 -1.073 5.256 1.00 0.00 N ATOM 77 CA ALA A 562 -8.623 -0.889 5.260 1.00 0.00 C ATOM 78 C ALA A 562 -7.899 -2.220 5.076 1.00 0.00 C ATOM 79 O ALA A 562 -8.210 -3.200 5.755 1.00 0.00 O ATOM 80 CB ALA A 562 -8.184 -0.224 6.556 1.00 0.00 C ATOM 0 H ALA A 562 -10.530 -0.795 6.122 1.00 0.00 H new ATOM 0 HA ALA A 562 -8.360 -0.244 4.422 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -7.102 -0.091 6.549 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -8.668 0.748 6.648 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -8.467 -0.852 7.401 1.00 0.00 H new ATOM 86 N PRO A 563 -6.915 -2.272 4.155 1.00 0.00 N ATOM 87 CA PRO A 563 -6.136 -3.487 3.889 1.00 0.00 C ATOM 88 C PRO A 563 -5.682 -4.170 5.172 1.00 0.00 C ATOM 89 O PRO A 563 -5.638 -3.548 6.234 1.00 0.00 O ATOM 90 CB PRO A 563 -4.934 -2.962 3.108 1.00 0.00 C ATOM 91 CG PRO A 563 -5.447 -1.756 2.400 1.00 0.00 C ATOM 92 CD PRO A 563 -6.482 -1.144 3.306 1.00 0.00 C ATOM 0 HA PRO A 563 -6.714 -4.241 3.355 1.00 0.00 H new ATOM 0 HB2 PRO A 563 -4.108 -2.710 3.773 1.00 0.00 H new ATOM 0 HB3 PRO A 563 -4.562 -3.707 2.405 1.00 0.00 H new ATOM 0 HG2 PRO A 563 -4.641 -1.051 2.198 1.00 0.00 H new ATOM 0 HG3 PRO A 563 -5.883 -2.026 1.438 1.00 0.00 H new ATOM 0 HD2 PRO A 563 -6.064 -0.332 3.901 1.00 0.00 H new ATOM 0 HD3 PRO A 563 -7.314 -0.727 2.739 1.00 0.00 H new ATOM 100 N THR A 564 -5.350 -5.453 5.076 1.00 0.00 N ATOM 101 CA THR A 564 -4.911 -6.207 6.243 1.00 0.00 C ATOM 102 C THR A 564 -3.675 -7.049 5.947 1.00 0.00 C ATOM 103 O THR A 564 -3.579 -7.688 4.900 1.00 0.00 O ATOM 104 CB THR A 564 -6.027 -7.133 6.759 1.00 0.00 C ATOM 105 OG1 THR A 564 -6.303 -8.156 5.795 1.00 0.00 O ATOM 106 CG2 THR A 564 -7.296 -6.345 7.048 1.00 0.00 C ATOM 0 H THR A 564 -5.376 -5.989 4.208 1.00 0.00 H new ATOM 0 HA THR A 564 -4.661 -5.470 7.007 1.00 0.00 H new ATOM 0 HB THR A 564 -5.685 -7.592 7.686 1.00 0.00 H new ATOM 0 HG1 THR A 564 -7.013 -8.741 6.133 1.00 0.00 H new ATOM 0 HG21 THR A 564 -8.070 -7.022 7.411 1.00 0.00 H new ATOM 0 HG22 THR A 564 -7.090 -5.589 7.806 1.00 0.00 H new ATOM 0 HG23 THR A 564 -7.639 -5.859 6.134 1.00 0.00 H new ATOM 114 N ASN A 565 -2.741 -7.053 6.895 1.00 0.00 N ATOM 115 CA ASN A 565 -1.510 -7.827 6.772 1.00 0.00 C ATOM 116 C ASN A 565 -0.725 -7.467 5.511 1.00 0.00 C ATOM 117 O ASN A 565 -0.828 -8.146 4.488 1.00 0.00 O ATOM 118 CB ASN A 565 -1.827 -9.321 6.779 1.00 0.00 C ATOM 119 CG ASN A 565 -0.592 -10.182 6.602 1.00 0.00 C ATOM 120 OD1 ASN A 565 0.525 -9.759 6.904 1.00 0.00 O ATOM 121 ND2 ASN A 565 -0.786 -11.400 6.110 1.00 0.00 N ATOM 0 H ASN A 565 -2.816 -6.524 7.764 1.00 0.00 H new ATOM 0 HA ASN A 565 -0.884 -7.580 7.629 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -2.314 -9.580 7.719 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -2.536 -9.542 5.981 1.00 0.00 H new ATOM 0 HD21 ASN A 565 0.007 -12.025 5.969 1.00 0.00 H new ATOM 0 HD22 ASN A 565 -1.728 -11.710 5.873 1.00 0.00 H new ATOM 128 N LEU A 566 0.079 -6.410 5.600 1.00 0.00 N ATOM 129 CA LEU A 566 0.902 -5.980 4.474 1.00 0.00 C ATOM 130 C LEU A 566 2.265 -6.665 4.539 1.00 0.00 C ATOM 131 O LEU A 566 2.677 -7.136 5.600 1.00 0.00 O ATOM 132 CB LEU A 566 1.075 -4.458 4.477 1.00 0.00 C ATOM 133 CG LEU A 566 2.121 -3.919 3.496 1.00 0.00 C ATOM 134 CD1 LEU A 566 1.539 -3.806 2.095 1.00 0.00 C ATOM 135 CD2 LEU A 566 2.647 -2.576 3.966 1.00 0.00 C ATOM 0 H LEU A 566 0.178 -5.837 6.438 1.00 0.00 H new ATOM 0 HA LEU A 566 0.401 -6.264 3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 566 0.114 -3.999 4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 566 1.347 -4.141 5.484 1.00 0.00 H new ATOM 0 HG LEU A 566 2.953 -4.623 3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 566 2.299 -3.421 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 566 1.213 -4.789 1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 566 0.687 -3.126 2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 566 3.389 -2.208 3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 566 1.823 -1.865 4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 566 3.107 -2.689 4.948 1.00 0.00 H new ATOM 147 N ALA A 567 2.962 -6.724 3.409 1.00 0.00 N ATOM 148 CA ALA A 567 4.275 -7.360 3.367 1.00 0.00 C ATOM 149 C ALA A 567 5.080 -6.917 2.151 1.00 0.00 C ATOM 150 O ALA A 567 4.535 -6.361 1.197 1.00 0.00 O ATOM 151 CB ALA A 567 4.125 -8.874 3.376 1.00 0.00 C ATOM 0 H ALA A 567 2.644 -6.343 2.518 1.00 0.00 H new ATOM 0 HA ALA A 567 4.823 -7.047 4.256 1.00 0.00 H new ATOM 0 HB1 ALA A 567 5.111 -9.338 3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.608 -9.183 4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 567 3.549 -9.188 2.506 1.00 0.00 H new ATOM 157 N SER A 568 6.383 -7.182 2.192 1.00 0.00 N ATOM 158 CA SER A 568 7.277 -6.830 1.096 1.00 0.00 C ATOM 159 C SER A 568 7.783 -8.090 0.402 1.00 0.00 C ATOM 160 O SER A 568 8.108 -9.079 1.059 1.00 0.00 O ATOM 161 CB SER A 568 8.459 -6.009 1.615 1.00 0.00 C ATOM 162 OG SER A 568 9.398 -6.834 2.283 1.00 0.00 O ATOM 0 H SER A 568 6.844 -7.642 2.977 1.00 0.00 H new ATOM 0 HA SER A 568 6.721 -6.229 0.376 1.00 0.00 H new ATOM 0 HB2 SER A 568 8.945 -5.499 0.783 1.00 0.00 H new ATOM 0 HB3 SER A 568 8.099 -5.237 2.295 1.00 0.00 H new ATOM 0 HG SER A 568 10.145 -6.286 2.604 1.00 0.00 H new ATOM 168 N THR A 569 7.839 -8.058 -0.926 1.00 0.00 N ATOM 169 CA THR A 569 8.297 -9.212 -1.692 1.00 0.00 C ATOM 170 C THR A 569 9.575 -8.903 -2.469 1.00 0.00 C ATOM 171 O THR A 569 10.680 -9.107 -1.964 1.00 0.00 O ATOM 172 CB THR A 569 7.214 -9.701 -2.670 1.00 0.00 C ATOM 173 OG1 THR A 569 6.265 -8.655 -2.916 1.00 0.00 O ATOM 174 CG2 THR A 569 6.496 -10.920 -2.111 1.00 0.00 C ATOM 0 H THR A 569 7.575 -7.251 -1.491 1.00 0.00 H new ATOM 0 HA THR A 569 8.508 -10.000 -0.969 1.00 0.00 H new ATOM 0 HB THR A 569 7.699 -9.978 -3.606 1.00 0.00 H new ATOM 0 HG1 THR A 569 5.581 -8.974 -3.541 1.00 0.00 H new ATOM 0 HG21 THR A 569 5.734 -11.250 -2.818 1.00 0.00 H new ATOM 0 HG22 THR A 569 7.215 -11.724 -1.951 1.00 0.00 H new ATOM 0 HG23 THR A 569 6.024 -10.661 -1.163 1.00 0.00 H new ATOM 182 N ALA A 570 9.421 -8.422 -3.700 1.00 0.00 N ATOM 183 CA ALA A 570 10.567 -8.101 -4.544 1.00 0.00 C ATOM 184 C ALA A 570 11.019 -6.658 -4.346 1.00 0.00 C ATOM 185 O ALA A 570 10.403 -5.727 -4.864 1.00 0.00 O ATOM 186 CB ALA A 570 10.230 -8.355 -6.005 1.00 0.00 C ATOM 0 H ALA A 570 8.515 -8.246 -4.134 1.00 0.00 H new ATOM 0 HA ALA A 570 11.392 -8.750 -4.251 1.00 0.00 H new ATOM 0 HB1 ALA A 570 11.093 -8.112 -6.625 1.00 0.00 H new ATOM 0 HB2 ALA A 570 9.970 -9.405 -6.141 1.00 0.00 H new ATOM 0 HB3 ALA A 570 9.386 -7.731 -6.297 1.00 0.00 H new ATOM 192 N GLN A 571 12.105 -6.481 -3.599 1.00 0.00 N ATOM 193 CA GLN A 571 12.648 -5.152 -3.336 1.00 0.00 C ATOM 194 C GLN A 571 14.057 -5.023 -3.906 1.00 0.00 C ATOM 195 O GLN A 571 14.837 -5.976 -3.880 1.00 0.00 O ATOM 196 CB GLN A 571 12.658 -4.869 -1.831 1.00 0.00 C ATOM 197 CG GLN A 571 13.443 -3.623 -1.448 1.00 0.00 C ATOM 198 CD GLN A 571 14.677 -3.938 -0.622 1.00 0.00 C ATOM 199 OE1 GLN A 571 14.980 -3.246 0.348 1.00 0.00 O ATOM 200 NE2 GLN A 571 15.395 -4.989 -1.005 1.00 0.00 N ATOM 0 H GLN A 571 12.627 -7.242 -3.165 1.00 0.00 H new ATOM 0 HA GLN A 571 12.009 -4.418 -3.827 1.00 0.00 H new ATOM 0 HB2 GLN A 571 11.630 -4.761 -1.484 1.00 0.00 H new ATOM 0 HB3 GLN A 571 13.082 -5.729 -1.311 1.00 0.00 H new ATOM 0 HG2 GLN A 571 13.742 -3.095 -2.353 1.00 0.00 H new ATOM 0 HG3 GLN A 571 12.796 -2.950 -0.885 1.00 0.00 H new ATOM 0 HE21 GLN A 571 15.106 -5.535 -1.817 1.00 0.00 H new ATOM 0 HE22 GLN A 571 16.235 -5.249 -0.487 1.00 0.00 H new ATOM 209 N THR A 572 14.375 -3.839 -4.419 1.00 0.00 N ATOM 210 CA THR A 572 15.690 -3.583 -4.995 1.00 0.00 C ATOM 211 C THR A 572 16.296 -2.303 -4.425 1.00 0.00 C ATOM 212 O THR A 572 15.906 -1.848 -3.350 1.00 0.00 O ATOM 213 CB THR A 572 15.617 -3.476 -6.530 1.00 0.00 C ATOM 214 OG1 THR A 572 14.580 -2.566 -6.911 1.00 0.00 O ATOM 215 CG2 THR A 572 15.357 -4.839 -7.153 1.00 0.00 C ATOM 0 H THR A 572 13.740 -3.041 -4.448 1.00 0.00 H new ATOM 0 HA THR A 572 16.327 -4.428 -4.732 1.00 0.00 H new ATOM 0 HB THR A 572 16.575 -3.103 -6.892 1.00 0.00 H new ATOM 0 HG1 THR A 572 14.101 -2.262 -6.112 1.00 0.00 H new ATOM 0 HG21 THR A 572 15.309 -4.740 -8.237 1.00 0.00 H new ATOM 0 HG22 THR A 572 16.164 -5.521 -6.886 1.00 0.00 H new ATOM 0 HG23 THR A 572 14.411 -5.234 -6.783 1.00 0.00 H new ATOM 223 N THR A 573 17.255 -1.729 -5.146 1.00 0.00 N ATOM 224 CA THR A 573 17.918 -0.506 -4.704 1.00 0.00 C ATOM 225 C THR A 573 17.195 0.739 -5.206 1.00 0.00 C ATOM 226 O THR A 573 17.628 1.863 -4.949 1.00 0.00 O ATOM 227 CB THR A 573 19.381 -0.458 -5.184 1.00 0.00 C ATOM 228 OG1 THR A 573 19.425 -0.327 -6.610 1.00 0.00 O ATOM 229 CG2 THR A 573 20.130 -1.712 -4.762 1.00 0.00 C ATOM 0 H THR A 573 17.590 -2.091 -6.039 1.00 0.00 H new ATOM 0 HA THR A 573 17.893 -0.517 -3.614 1.00 0.00 H new ATOM 0 HB THR A 573 19.863 0.406 -4.725 1.00 0.00 H new ATOM 0 HG1 THR A 573 20.358 -0.295 -6.907 1.00 0.00 H new ATOM 0 HG21 THR A 573 21.161 -1.655 -5.112 1.00 0.00 H new ATOM 0 HG22 THR A 573 20.120 -1.793 -3.675 1.00 0.00 H new ATOM 0 HG23 THR A 573 19.647 -2.588 -5.196 1.00 0.00 H new ATOM 237 N SER A 574 16.094 0.539 -5.924 1.00 0.00 N ATOM 238 CA SER A 574 15.322 1.657 -6.458 1.00 0.00 C ATOM 239 C SER A 574 13.825 1.377 -6.388 1.00 0.00 C ATOM 240 O SER A 574 13.051 2.203 -5.902 1.00 0.00 O ATOM 241 CB SER A 574 15.729 1.940 -7.904 1.00 0.00 C ATOM 242 OG SER A 574 15.526 0.802 -8.724 1.00 0.00 O ATOM 0 H SER A 574 15.717 -0.382 -6.149 1.00 0.00 H new ATOM 0 HA SER A 574 15.536 2.533 -5.846 1.00 0.00 H new ATOM 0 HB2 SER A 574 15.150 2.778 -8.291 1.00 0.00 H new ATOM 0 HB3 SER A 574 16.778 2.234 -7.939 1.00 0.00 H new ATOM 0 HG SER A 574 15.792 1.010 -9.644 1.00 0.00 H new ATOM 248 N SER A 575 13.421 0.210 -6.879 1.00 0.00 N ATOM 249 CA SER A 575 12.015 -0.175 -6.873 1.00 0.00 C ATOM 250 C SER A 575 11.725 -1.152 -5.740 1.00 0.00 C ATOM 251 O SER A 575 12.643 -1.693 -5.125 1.00 0.00 O ATOM 252 CB SER A 575 11.632 -0.801 -8.215 1.00 0.00 C ATOM 253 OG SER A 575 12.737 -1.472 -8.798 1.00 0.00 O ATOM 0 H SER A 575 14.047 -0.485 -7.286 1.00 0.00 H new ATOM 0 HA SER A 575 11.417 0.723 -6.715 1.00 0.00 H new ATOM 0 HB2 SER A 575 10.811 -1.503 -8.071 1.00 0.00 H new ATOM 0 HB3 SER A 575 11.274 -0.026 -8.893 1.00 0.00 H new ATOM 0 HG SER A 575 13.234 -1.950 -8.102 1.00 0.00 H new ATOM 259 N ILE A 576 10.442 -1.372 -5.467 1.00 0.00 N ATOM 260 CA ILE A 576 10.030 -2.284 -4.407 1.00 0.00 C ATOM 261 C ILE A 576 8.623 -2.817 -4.658 1.00 0.00 C ATOM 262 O ILE A 576 7.774 -2.120 -5.214 1.00 0.00 O ATOM 263 CB ILE A 576 10.070 -1.600 -3.024 1.00 0.00 C ATOM 264 CG1 ILE A 576 9.741 -2.608 -1.918 1.00 0.00 C ATOM 265 CG2 ILE A 576 9.104 -0.425 -2.987 1.00 0.00 C ATOM 266 CD1 ILE A 576 9.849 -2.038 -0.521 1.00 0.00 C ATOM 0 H ILE A 576 9.670 -0.930 -5.966 1.00 0.00 H new ATOM 0 HA ILE A 576 10.738 -3.113 -4.412 1.00 0.00 H new ATOM 0 HB ILE A 576 11.078 -1.222 -2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 576 8.729 -2.983 -2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 576 10.413 -3.461 -2.005 1.00 0.00 H new ATOM 0 HG21 ILE A 576 9.143 0.047 -2.006 1.00 0.00 H new ATOM 0 HG22 ILE A 576 9.384 0.301 -3.751 1.00 0.00 H new ATOM 0 HG23 ILE A 576 8.091 -0.780 -3.178 1.00 0.00 H new ATOM 0 HD11 ILE A 576 9.601 -2.810 0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 576 10.867 -1.689 -0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 576 9.156 -1.203 -0.414 1.00 0.00 H new ATOM 278 N THR A 577 8.383 -4.054 -4.236 1.00 0.00 N ATOM 279 CA THR A 577 7.080 -4.683 -4.406 1.00 0.00 C ATOM 280 C THR A 577 6.375 -4.840 -3.063 1.00 0.00 C ATOM 281 O THR A 577 7.011 -5.126 -2.049 1.00 0.00 O ATOM 282 CB THR A 577 7.206 -6.063 -5.079 1.00 0.00 C ATOM 283 OG1 THR A 577 8.016 -5.961 -6.257 1.00 0.00 O ATOM 284 CG2 THR A 577 5.837 -6.615 -5.447 1.00 0.00 C ATOM 0 H THR A 577 9.076 -4.641 -3.773 1.00 0.00 H new ATOM 0 HA THR A 577 6.489 -4.031 -5.050 1.00 0.00 H new ATOM 0 HB THR A 577 7.676 -6.745 -4.371 1.00 0.00 H new ATOM 0 HG1 THR A 577 8.939 -5.752 -6.002 1.00 0.00 H new ATOM 0 HG21 THR A 577 5.953 -7.590 -5.921 1.00 0.00 H new ATOM 0 HG22 THR A 577 5.232 -6.719 -4.546 1.00 0.00 H new ATOM 0 HG23 THR A 577 5.343 -5.932 -6.138 1.00 0.00 H new ATOM 292 N LEU A 578 5.061 -4.644 -3.062 1.00 0.00 N ATOM 293 CA LEU A 578 4.273 -4.759 -1.841 1.00 0.00 C ATOM 294 C LEU A 578 3.024 -5.601 -2.075 1.00 0.00 C ATOM 295 O LEU A 578 2.307 -5.406 -3.056 1.00 0.00 O ATOM 296 CB LEU A 578 3.876 -3.367 -1.336 1.00 0.00 C ATOM 297 CG LEU A 578 4.298 -3.032 0.101 1.00 0.00 C ATOM 298 CD1 LEU A 578 5.689 -3.567 0.408 1.00 0.00 C ATOM 299 CD2 LEU A 578 4.248 -1.528 0.327 1.00 0.00 C ATOM 0 H LEU A 578 4.520 -4.405 -3.893 1.00 0.00 H new ATOM 0 HA LEU A 578 4.885 -5.254 -1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 578 4.308 -2.622 -2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 578 2.793 -3.270 -1.408 1.00 0.00 H new ATOM 0 HG LEU A 578 3.596 -3.517 0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 578 5.958 -3.313 1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 578 5.697 -4.650 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 578 6.410 -3.121 -0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 578 4.550 -1.304 1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 578 4.926 -1.033 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 578 3.232 -1.169 0.161 1.00 0.00 H new ATOM 311 N SER A 579 2.768 -6.535 -1.163 1.00 0.00 N ATOM 312 CA SER A 579 1.602 -7.406 -1.262 1.00 0.00 C ATOM 313 C SER A 579 0.800 -7.375 0.034 1.00 0.00 C ATOM 314 O SER A 579 1.370 -7.353 1.125 1.00 0.00 O ATOM 315 CB SER A 579 2.032 -8.840 -1.577 1.00 0.00 C ATOM 316 OG SER A 579 0.974 -9.569 -2.176 1.00 0.00 O ATOM 0 H SER A 579 3.354 -6.708 -0.346 1.00 0.00 H new ATOM 0 HA SER A 579 0.971 -7.042 -2.073 1.00 0.00 H new ATOM 0 HB2 SER A 579 2.893 -8.827 -2.245 1.00 0.00 H new ATOM 0 HB3 SER A 579 2.348 -9.338 -0.660 1.00 0.00 H new ATOM 0 HG SER A 579 1.274 -10.482 -2.369 1.00 0.00 H new ATOM 322 N TRP A 580 -0.523 -7.366 -0.092 1.00 0.00 N ATOM 323 CA TRP A 580 -1.399 -7.329 1.074 1.00 0.00 C ATOM 324 C TRP A 580 -2.760 -7.940 0.756 1.00 0.00 C ATOM 325 O TRP A 580 -3.075 -8.214 -0.403 1.00 0.00 O ATOM 326 CB TRP A 580 -1.575 -5.889 1.557 1.00 0.00 C ATOM 327 CG TRP A 580 -2.190 -4.994 0.524 1.00 0.00 C ATOM 328 CD1 TRP A 580 -3.512 -4.681 0.392 1.00 0.00 C ATOM 329 CD2 TRP A 580 -1.507 -4.300 -0.525 1.00 0.00 C ATOM 330 NE1 TRP A 580 -3.692 -3.835 -0.674 1.00 0.00 N ATOM 331 CE2 TRP A 580 -2.477 -3.586 -1.253 1.00 0.00 C ATOM 332 CE3 TRP A 580 -0.169 -4.213 -0.919 1.00 0.00 C ATOM 333 CZ2 TRP A 580 -2.150 -2.796 -2.352 1.00 0.00 C ATOM 334 CZ3 TRP A 580 0.154 -3.429 -2.010 1.00 0.00 C ATOM 335 CH2 TRP A 580 -0.834 -2.730 -2.716 1.00 0.00 C ATOM 0 H TRP A 580 -1.011 -7.384 -0.987 1.00 0.00 H new ATOM 0 HA TRP A 580 -0.934 -7.918 1.864 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -2.199 -5.885 2.450 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -0.604 -5.487 1.845 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -4.301 -5.046 1.033 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -4.586 -3.454 -0.984 1.00 0.00 H new ATOM 0 HE3 TRP A 580 0.599 -4.749 -0.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -2.909 -2.255 -2.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 1.185 -3.354 -2.324 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -0.550 -2.127 -3.565 1.00 0.00 H new ATOM 346 N THR A 581 -3.561 -8.153 1.795 1.00 0.00 N ATOM 347 CA THR A 581 -4.889 -8.733 1.633 1.00 0.00 C ATOM 348 C THR A 581 -5.907 -7.679 1.209 1.00 0.00 C ATOM 349 O THR A 581 -5.905 -6.559 1.718 1.00 0.00 O ATOM 350 CB THR A 581 -5.367 -9.401 2.934 1.00 0.00 C ATOM 351 OG1 THR A 581 -4.253 -9.976 3.626 1.00 0.00 O ATOM 352 CG2 THR A 581 -6.398 -10.479 2.643 1.00 0.00 C ATOM 0 H THR A 581 -3.313 -7.932 2.759 1.00 0.00 H new ATOM 0 HA THR A 581 -4.811 -9.488 0.850 1.00 0.00 H new ATOM 0 HB THR A 581 -5.830 -8.637 3.559 1.00 0.00 H new ATOM 0 HG1 THR A 581 -3.825 -9.292 4.183 1.00 0.00 H new ATOM 0 HG21 THR A 581 -6.720 -10.936 3.578 1.00 0.00 H new ATOM 0 HG22 THR A 581 -7.258 -10.034 2.141 1.00 0.00 H new ATOM 0 HG23 THR A 581 -5.957 -11.241 2.000 1.00 0.00 H new ATOM 360 N ALA A 582 -6.775 -8.049 0.271 1.00 0.00 N ATOM 361 CA ALA A 582 -7.800 -7.139 -0.228 1.00 0.00 C ATOM 362 C ALA A 582 -8.858 -6.864 0.834 1.00 0.00 C ATOM 363 O ALA A 582 -8.871 -7.496 1.891 1.00 0.00 O ATOM 364 CB ALA A 582 -8.448 -7.711 -1.480 1.00 0.00 C ATOM 0 H ALA A 582 -6.788 -8.974 -0.159 1.00 0.00 H new ATOM 0 HA ALA A 582 -7.318 -6.193 -0.477 1.00 0.00 H new ATOM 0 HB1 ALA A 582 -9.211 -7.022 -1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 582 -7.690 -7.850 -2.251 1.00 0.00 H new ATOM 0 HB3 ALA A 582 -8.908 -8.671 -1.246 1.00 0.00 H new ATOM 370 N SER A 583 -9.747 -5.918 0.545 1.00 0.00 N ATOM 371 CA SER A 583 -10.813 -5.559 1.474 1.00 0.00 C ATOM 372 C SER A 583 -11.884 -6.643 1.513 1.00 0.00 C ATOM 373 O SER A 583 -11.790 -7.648 0.808 1.00 0.00 O ATOM 374 CB SER A 583 -11.435 -4.219 1.074 1.00 0.00 C ATOM 375 OG SER A 583 -12.664 -4.408 0.392 1.00 0.00 O ATOM 0 H SER A 583 -9.750 -5.386 -0.325 1.00 0.00 H new ATOM 0 HA SER A 583 -10.381 -5.466 2.470 1.00 0.00 H new ATOM 0 HB2 SER A 583 -11.599 -3.611 1.964 1.00 0.00 H new ATOM 0 HB3 SER A 583 -10.743 -3.670 0.436 1.00 0.00 H new ATOM 0 HG SER A 583 -13.190 -3.582 0.430 1.00 0.00 H new ATOM 381 N THR A 584 -12.902 -6.434 2.342 1.00 0.00 N ATOM 382 CA THR A 584 -13.990 -7.394 2.474 1.00 0.00 C ATOM 383 C THR A 584 -15.285 -6.850 1.879 1.00 0.00 C ATOM 384 O THR A 584 -16.259 -7.584 1.712 1.00 0.00 O ATOM 385 CB THR A 584 -14.233 -7.765 3.948 1.00 0.00 C ATOM 386 OG1 THR A 584 -13.335 -7.034 4.791 1.00 0.00 O ATOM 387 CG2 THR A 584 -14.040 -9.257 4.169 1.00 0.00 C ATOM 0 H THR A 584 -12.995 -5.607 2.932 1.00 0.00 H new ATOM 0 HA THR A 584 -13.690 -8.286 1.924 1.00 0.00 H new ATOM 0 HB THR A 584 -15.261 -7.506 4.200 1.00 0.00 H new ATOM 0 HG1 THR A 584 -13.497 -7.274 5.727 1.00 0.00 H new ATOM 0 HG21 THR A 584 -14.217 -9.495 5.218 1.00 0.00 H new ATOM 0 HG22 THR A 584 -14.743 -9.811 3.547 1.00 0.00 H new ATOM 0 HG23 THR A 584 -13.021 -9.536 3.901 1.00 0.00 H new ATOM 395 N ASP A 585 -15.290 -5.558 1.560 1.00 0.00 N ATOM 396 CA ASP A 585 -16.466 -4.916 0.985 1.00 0.00 C ATOM 397 C ASP A 585 -16.603 -5.250 -0.497 1.00 0.00 C ATOM 398 O ASP A 585 -17.568 -5.891 -0.910 1.00 0.00 O ATOM 399 CB ASP A 585 -16.388 -3.400 1.172 1.00 0.00 C ATOM 400 CG ASP A 585 -17.704 -2.712 0.867 1.00 0.00 C ATOM 401 OD1 ASP A 585 -18.534 -2.582 1.791 1.00 0.00 O ATOM 402 OD2 ASP A 585 -17.904 -2.302 -0.297 1.00 0.00 O ATOM 0 H ASP A 585 -14.492 -4.936 1.691 1.00 0.00 H new ATOM 0 HA ASP A 585 -17.345 -5.296 1.506 1.00 0.00 H new ATOM 0 HB2 ASP A 585 -16.094 -3.178 2.198 1.00 0.00 H new ATOM 0 HB3 ASP A 585 -15.611 -2.996 0.523 1.00 0.00 H new ATOM 407 N ASN A 586 -15.629 -4.809 -1.290 1.00 0.00 N ATOM 408 CA ASN A 586 -15.635 -5.056 -2.729 1.00 0.00 C ATOM 409 C ASN A 586 -16.915 -4.520 -3.365 1.00 0.00 C ATOM 410 O ASN A 586 -17.606 -3.687 -2.776 1.00 0.00 O ATOM 411 CB ASN A 586 -15.494 -6.553 -3.016 1.00 0.00 C ATOM 412 CG ASN A 586 -14.604 -7.252 -2.008 1.00 0.00 C ATOM 413 OD1 ASN A 586 -15.084 -7.959 -1.123 1.00 0.00 O ATOM 414 ND2 ASN A 586 -13.296 -7.055 -2.137 1.00 0.00 N ATOM 0 H ASN A 586 -14.824 -4.278 -0.959 1.00 0.00 H new ATOM 0 HA ASN A 586 -14.785 -4.532 -3.166 1.00 0.00 H new ATOM 0 HB2 ASN A 586 -16.481 -7.016 -3.009 1.00 0.00 H new ATOM 0 HB3 ASN A 586 -15.084 -6.692 -4.016 1.00 0.00 H new ATOM 0 HD21 ASN A 586 -12.647 -7.498 -1.487 1.00 0.00 H new ATOM 0 HD22 ASN A 586 -12.941 -6.461 -2.886 1.00 0.00 H new ATOM 421 N VAL A 587 -17.225 -4.999 -4.568 1.00 0.00 N ATOM 422 CA VAL A 587 -18.422 -4.563 -5.283 1.00 0.00 C ATOM 423 C VAL A 587 -18.466 -3.040 -5.381 1.00 0.00 C ATOM 424 O VAL A 587 -19.534 -2.441 -5.504 1.00 0.00 O ATOM 425 CB VAL A 587 -19.708 -5.066 -4.596 1.00 0.00 C ATOM 426 CG1 VAL A 587 -20.865 -5.103 -5.584 1.00 0.00 C ATOM 427 CG2 VAL A 587 -19.487 -6.440 -3.980 1.00 0.00 C ATOM 0 H VAL A 587 -16.664 -5.689 -5.068 1.00 0.00 H new ATOM 0 HA VAL A 587 -18.372 -4.992 -6.284 1.00 0.00 H new ATOM 0 HB VAL A 587 -19.961 -4.370 -3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 587 -21.763 -5.461 -5.080 1.00 0.00 H new ATOM 0 HG12 VAL A 587 -21.043 -4.101 -5.974 1.00 0.00 H new ATOM 0 HG13 VAL A 587 -20.619 -5.774 -6.407 1.00 0.00 H new ATOM 0 HG21 VAL A 587 -20.406 -6.776 -3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 587 -19.205 -7.147 -4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 587 -18.691 -6.382 -3.238 1.00 0.00 H new ATOM 437 N GLY A 588 -17.290 -2.425 -5.323 1.00 0.00 N ATOM 438 CA GLY A 588 -17.194 -0.979 -5.403 1.00 0.00 C ATOM 439 C GLY A 588 -15.759 -0.502 -5.341 1.00 0.00 C ATOM 440 O GLY A 588 -15.409 0.523 -5.926 1.00 0.00 O ATOM 0 H GLY A 588 -16.396 -2.906 -5.221 1.00 0.00 H new ATOM 0 HA2 GLY A 588 -17.650 -0.636 -6.332 1.00 0.00 H new ATOM 0 HA3 GLY A 588 -17.760 -0.532 -4.586 1.00 0.00 H new ATOM 444 N VAL A 589 -14.924 -1.256 -4.633 1.00 0.00 N ATOM 445 CA VAL A 589 -13.513 -0.917 -4.496 1.00 0.00 C ATOM 446 C VAL A 589 -12.801 -1.042 -5.838 1.00 0.00 C ATOM 447 O VAL A 589 -13.052 -1.977 -6.598 1.00 0.00 O ATOM 448 CB VAL A 589 -12.817 -1.823 -3.463 1.00 0.00 C ATOM 449 CG1 VAL A 589 -11.386 -1.366 -3.224 1.00 0.00 C ATOM 450 CG2 VAL A 589 -13.602 -1.843 -2.159 1.00 0.00 C ATOM 0 H VAL A 589 -15.201 -2.107 -4.145 1.00 0.00 H new ATOM 0 HA VAL A 589 -13.457 0.115 -4.149 1.00 0.00 H new ATOM 0 HB VAL A 589 -12.786 -2.837 -3.861 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -10.913 -2.020 -2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -10.829 -1.408 -4.160 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -11.389 -0.343 -2.849 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -13.097 -2.488 -1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -13.666 -0.832 -1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -14.606 -2.224 -2.345 1.00 0.00 H new ATOM 460 N THR A 590 -11.920 -0.091 -6.129 1.00 0.00 N ATOM 461 CA THR A 590 -11.184 -0.097 -7.387 1.00 0.00 C ATOM 462 C THR A 590 -9.720 -0.471 -7.180 1.00 0.00 C ATOM 463 O THR A 590 -9.267 -1.513 -7.653 1.00 0.00 O ATOM 464 CB THR A 590 -11.258 1.271 -8.095 1.00 0.00 C ATOM 465 OG1 THR A 590 -10.080 1.480 -8.883 1.00 0.00 O ATOM 466 CG2 THR A 590 -11.403 2.402 -7.088 1.00 0.00 C ATOM 0 H THR A 590 -11.699 0.691 -5.513 1.00 0.00 H new ATOM 0 HA THR A 590 -11.658 -0.850 -8.016 1.00 0.00 H new ATOM 0 HB THR A 590 -12.136 1.268 -8.742 1.00 0.00 H new ATOM 0 HG1 THR A 590 -10.136 2.350 -9.330 1.00 0.00 H new ATOM 0 HG21 THR A 590 -11.453 3.355 -7.615 1.00 0.00 H new ATOM 0 HG22 THR A 590 -12.316 2.259 -6.510 1.00 0.00 H new ATOM 0 HG23 THR A 590 -10.544 2.403 -6.416 1.00 0.00 H new ATOM 474 N GLY A 591 -8.981 0.387 -6.483 1.00 0.00 N ATOM 475 CA GLY A 591 -7.576 0.119 -6.247 1.00 0.00 C ATOM 476 C GLY A 591 -7.143 0.407 -4.824 1.00 0.00 C ATOM 477 O GLY A 591 -7.976 0.546 -3.927 1.00 0.00 O ATOM 0 H GLY A 591 -9.328 1.257 -6.080 1.00 0.00 H new ATOM 0 HA2 GLY A 591 -7.368 -0.926 -6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 591 -6.978 0.722 -6.931 1.00 0.00 H new ATOM 481 N TYR A 592 -5.831 0.486 -4.620 1.00 0.00 N ATOM 482 CA TYR A 592 -5.271 0.750 -3.302 1.00 0.00 C ATOM 483 C TYR A 592 -4.158 1.791 -3.379 1.00 0.00 C ATOM 484 O TYR A 592 -3.333 1.764 -4.293 1.00 0.00 O ATOM 485 CB TYR A 592 -4.725 -0.545 -2.698 1.00 0.00 C ATOM 486 CG TYR A 592 -5.774 -1.611 -2.482 1.00 0.00 C ATOM 487 CD1 TYR A 592 -6.647 -1.542 -1.405 1.00 0.00 C ATOM 488 CD2 TYR A 592 -5.887 -2.686 -3.352 1.00 0.00 C ATOM 489 CE1 TYR A 592 -7.605 -2.516 -1.202 1.00 0.00 C ATOM 490 CE2 TYR A 592 -6.844 -3.664 -3.156 1.00 0.00 C ATOM 491 CZ TYR A 592 -7.699 -3.575 -2.079 1.00 0.00 C ATOM 492 OH TYR A 592 -8.652 -4.547 -1.879 1.00 0.00 O ATOM 0 H TYR A 592 -5.134 0.370 -5.356 1.00 0.00 H new ATOM 0 HA TYR A 592 -6.066 1.141 -2.667 1.00 0.00 H new ATOM 0 HB2 TYR A 592 -3.949 -0.941 -3.353 1.00 0.00 H new ATOM 0 HB3 TYR A 592 -4.251 -0.317 -1.743 1.00 0.00 H new ATOM 0 HD1 TYR A 592 -6.576 -0.714 -0.715 1.00 0.00 H new ATOM 0 HD2 TYR A 592 -5.217 -2.760 -4.196 1.00 0.00 H new ATOM 0 HE1 TYR A 592 -8.278 -2.448 -0.360 1.00 0.00 H new ATOM 0 HE2 TYR A 592 -6.921 -4.493 -3.843 1.00 0.00 H new ATOM 0 HH TYR A 592 -8.750 -5.082 -2.694 1.00 0.00 H new ATOM 502 N ASP A 593 -4.137 2.702 -2.412 1.00 0.00 N ATOM 503 CA ASP A 593 -3.120 3.747 -2.362 1.00 0.00 C ATOM 504 C ASP A 593 -2.153 3.493 -1.212 1.00 0.00 C ATOM 505 O ASP A 593 -2.557 3.451 -0.051 1.00 0.00 O ATOM 506 CB ASP A 593 -3.775 5.122 -2.202 1.00 0.00 C ATOM 507 CG ASP A 593 -4.981 5.087 -1.283 1.00 0.00 C ATOM 508 OD1 ASP A 593 -6.031 4.555 -1.701 1.00 0.00 O ATOM 509 OD2 ASP A 593 -4.875 5.595 -0.148 1.00 0.00 O ATOM 0 H ASP A 593 -4.814 2.738 -1.650 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.563 3.730 -3.299 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -3.042 5.826 -1.808 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -4.079 5.492 -3.181 1.00 0.00 H new ATOM 514 N VAL A 594 -0.874 3.315 -1.539 1.00 0.00 N ATOM 515 CA VAL A 594 0.136 3.057 -0.519 1.00 0.00 C ATOM 516 C VAL A 594 0.899 4.332 -0.172 1.00 0.00 C ATOM 517 O VAL A 594 1.246 5.117 -1.053 1.00 0.00 O ATOM 518 CB VAL A 594 1.120 1.948 -0.963 1.00 0.00 C ATOM 519 CG1 VAL A 594 1.092 1.774 -2.470 1.00 0.00 C ATOM 520 CG2 VAL A 594 2.539 2.227 -0.478 1.00 0.00 C ATOM 0 H VAL A 594 -0.517 3.345 -2.494 1.00 0.00 H new ATOM 0 HA VAL A 594 -0.385 2.709 0.373 1.00 0.00 H new ATOM 0 HB VAL A 594 0.792 1.016 -0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 594 1.791 0.989 -2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 594 0.086 1.498 -2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 594 1.378 2.710 -2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 594 3.201 1.427 -0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 594 2.884 3.176 -0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 594 2.548 2.278 0.611 1.00 0.00 H new ATOM 530 N TYR A 595 1.141 4.535 1.120 1.00 0.00 N ATOM 531 CA TYR A 595 1.847 5.720 1.594 1.00 0.00 C ATOM 532 C TYR A 595 3.288 5.401 1.984 1.00 0.00 C ATOM 533 O TYR A 595 3.588 4.307 2.464 1.00 0.00 O ATOM 534 CB TYR A 595 1.116 6.321 2.798 1.00 0.00 C ATOM 535 CG TYR A 595 -0.214 6.955 2.455 1.00 0.00 C ATOM 536 CD1 TYR A 595 -1.309 6.176 2.101 1.00 0.00 C ATOM 537 CD2 TYR A 595 -0.375 8.335 2.490 1.00 0.00 C ATOM 538 CE1 TYR A 595 -2.525 6.753 1.793 1.00 0.00 C ATOM 539 CE2 TYR A 595 -1.589 8.919 2.183 1.00 0.00 C ATOM 540 CZ TYR A 595 -2.661 8.125 1.835 1.00 0.00 C ATOM 541 OH TYR A 595 -3.871 8.705 1.530 1.00 0.00 O ATOM 0 H TYR A 595 0.857 3.892 1.859 1.00 0.00 H new ATOM 0 HA TYR A 595 1.867 6.439 0.775 1.00 0.00 H new ATOM 0 HB2 TYR A 595 0.954 5.539 3.539 1.00 0.00 H new ATOM 0 HB3 TYR A 595 1.756 7.072 3.261 1.00 0.00 H new ATOM 0 HD1 TYR A 595 -1.207 5.101 2.066 1.00 0.00 H new ATOM 0 HD2 TYR A 595 0.462 8.961 2.762 1.00 0.00 H new ATOM 0 HE1 TYR A 595 -3.366 6.133 1.520 1.00 0.00 H new ATOM 0 HE2 TYR A 595 -1.698 9.993 2.216 1.00 0.00 H new ATOM 0 HH TYR A 595 -3.796 9.679 1.609 1.00 0.00 H new ATOM 551 N ASN A 596 4.171 6.377 1.786 1.00 0.00 N ATOM 552 CA ASN A 596 5.581 6.225 2.124 1.00 0.00 C ATOM 553 C ASN A 596 5.930 7.080 3.340 1.00 0.00 C ATOM 554 O ASN A 596 6.413 8.204 3.201 1.00 0.00 O ATOM 555 CB ASN A 596 6.459 6.631 0.938 1.00 0.00 C ATOM 556 CG ASN A 596 5.913 7.834 0.195 1.00 0.00 C ATOM 557 OD1 ASN A 596 5.265 8.700 0.782 1.00 0.00 O ATOM 558 ND2 ASN A 596 6.177 7.897 -1.106 1.00 0.00 N ATOM 0 H ASN A 596 3.931 7.286 1.391 1.00 0.00 H new ATOM 0 HA ASN A 596 5.767 5.177 2.361 1.00 0.00 H new ATOM 0 HB2 ASN A 596 7.465 6.854 1.294 1.00 0.00 H new ATOM 0 HB3 ASN A 596 6.544 5.791 0.249 1.00 0.00 H new ATOM 0 HD21 ASN A 596 5.838 8.685 -1.657 1.00 0.00 H new ATOM 0 HD22 ASN A 596 6.718 7.157 -1.553 1.00 0.00 H new ATOM 565 N GLY A 597 5.681 6.543 4.529 1.00 0.00 N ATOM 566 CA GLY A 597 5.974 7.274 5.750 1.00 0.00 C ATOM 567 C GLY A 597 4.833 8.183 6.171 1.00 0.00 C ATOM 568 O GLY A 597 4.075 7.852 7.082 1.00 0.00 O ATOM 0 H GLY A 597 5.282 5.615 4.670 1.00 0.00 H new ATOM 0 HA2 GLY A 597 6.185 6.566 6.552 1.00 0.00 H new ATOM 0 HA3 GLY A 597 6.875 7.870 5.605 1.00 0.00 H new ATOM 572 N THR A 598 4.713 9.329 5.506 1.00 0.00 N ATOM 573 CA THR A 598 3.658 10.289 5.817 1.00 0.00 C ATOM 574 C THR A 598 3.124 10.949 4.550 1.00 0.00 C ATOM 575 O THR A 598 2.394 11.939 4.610 1.00 0.00 O ATOM 576 CB THR A 598 4.156 11.380 6.781 1.00 0.00 C ATOM 577 OG1 THR A 598 5.494 11.761 6.442 1.00 0.00 O ATOM 578 CG2 THR A 598 4.113 10.889 8.220 1.00 0.00 C ATOM 0 H THR A 598 5.333 9.615 4.749 1.00 0.00 H new ATOM 0 HA THR A 598 2.855 9.731 6.298 1.00 0.00 H new ATOM 0 HB THR A 598 3.499 12.244 6.688 1.00 0.00 H new ATOM 0 HG1 THR A 598 5.802 12.457 7.059 1.00 0.00 H new ATOM 0 HG21 THR A 598 4.469 11.677 8.884 1.00 0.00 H new ATOM 0 HG22 THR A 598 3.089 10.627 8.485 1.00 0.00 H new ATOM 0 HG23 THR A 598 4.750 10.011 8.324 1.00 0.00 H new ATOM 586 N ALA A 599 3.492 10.388 3.405 1.00 0.00 N ATOM 587 CA ALA A 599 3.056 10.907 2.113 1.00 0.00 C ATOM 588 C ALA A 599 2.552 9.774 1.229 1.00 0.00 C ATOM 589 O ALA A 599 2.651 8.607 1.597 1.00 0.00 O ATOM 590 CB ALA A 599 4.198 11.643 1.428 1.00 0.00 C ATOM 0 H ALA A 599 4.095 9.568 3.344 1.00 0.00 H new ATOM 0 HA ALA A 599 2.238 11.608 2.278 1.00 0.00 H new ATOM 0 HB1 ALA A 599 3.859 12.025 0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 599 4.523 12.474 2.054 1.00 0.00 H new ATOM 0 HB3 ALA A 599 5.032 10.958 1.273 1.00 0.00 H new ATOM 596 N LEU A 600 2.018 10.117 0.062 1.00 0.00 N ATOM 597 CA LEU A 600 1.512 9.107 -0.861 1.00 0.00 C ATOM 598 C LEU A 600 2.614 8.652 -1.812 1.00 0.00 C ATOM 599 O LEU A 600 3.340 9.473 -2.374 1.00 0.00 O ATOM 600 CB LEU A 600 0.325 9.644 -1.664 1.00 0.00 C ATOM 601 CG LEU A 600 -0.239 8.672 -2.702 1.00 0.00 C ATOM 602 CD1 LEU A 600 -1.578 8.116 -2.243 1.00 0.00 C ATOM 603 CD2 LEU A 600 -0.379 9.357 -4.054 1.00 0.00 C ATOM 0 H LEU A 600 1.924 11.078 -0.266 1.00 0.00 H new ATOM 0 HA LEU A 600 1.176 8.254 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 600 -0.471 9.916 -0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 600 0.632 10.558 -2.172 1.00 0.00 H new ATOM 0 HG LEU A 600 0.458 7.841 -2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 600 -1.963 7.427 -2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 600 -1.448 7.587 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 600 -2.284 8.935 -2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 600 -0.782 8.650 -4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 600 -1.054 10.208 -3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 600 0.598 9.704 -4.389 1.00 0.00 H new ATOM 615 N ALA A 601 2.730 7.341 -1.989 1.00 0.00 N ATOM 616 CA ALA A 601 3.738 6.779 -2.874 1.00 0.00 C ATOM 617 C ALA A 601 3.119 6.379 -4.212 1.00 0.00 C ATOM 618 O ALA A 601 2.751 7.240 -5.011 1.00 0.00 O ATOM 619 CB ALA A 601 4.418 5.589 -2.210 1.00 0.00 C ATOM 0 H ALA A 601 2.137 6.649 -1.530 1.00 0.00 H new ATOM 0 HA ALA A 601 4.493 7.540 -3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 601 5.170 5.178 -2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 601 4.896 5.913 -1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 601 3.675 4.824 -1.986 1.00 0.00 H new ATOM 625 N THR A 602 3.006 5.077 -4.453 1.00 0.00 N ATOM 626 CA THR A 602 2.430 4.586 -5.698 1.00 0.00 C ATOM 627 C THR A 602 0.928 4.355 -5.575 1.00 0.00 C ATOM 628 O THR A 602 0.356 4.420 -4.482 1.00 0.00 O ATOM 629 CB THR A 602 3.114 3.286 -6.169 1.00 0.00 C ATOM 630 OG1 THR A 602 2.879 3.089 -7.569 1.00 0.00 O ATOM 631 CG2 THR A 602 2.607 2.077 -5.395 1.00 0.00 C ATOM 0 H THR A 602 3.304 4.347 -3.806 1.00 0.00 H new ATOM 0 HA THR A 602 2.603 5.363 -6.443 1.00 0.00 H new ATOM 0 HB THR A 602 4.183 3.387 -5.984 1.00 0.00 H new ATOM 0 HG1 THR A 602 3.582 2.516 -7.941 1.00 0.00 H new ATOM 0 HG21 THR A 602 3.110 1.179 -5.753 1.00 0.00 H new ATOM 0 HG22 THR A 602 2.815 2.211 -4.334 1.00 0.00 H new ATOM 0 HG23 THR A 602 1.532 1.974 -5.544 1.00 0.00 H new ATOM 639 N THR A 603 0.301 4.070 -6.712 1.00 0.00 N ATOM 640 CA THR A 603 -1.130 3.811 -6.766 1.00 0.00 C ATOM 641 C THR A 603 -1.401 2.570 -7.605 1.00 0.00 C ATOM 642 O THR A 603 -0.965 2.480 -8.753 1.00 0.00 O ATOM 643 CB THR A 603 -1.903 5.003 -7.362 1.00 0.00 C ATOM 644 OG1 THR A 603 -1.130 6.203 -7.232 1.00 0.00 O ATOM 645 CG2 THR A 603 -3.243 5.179 -6.666 1.00 0.00 C ATOM 0 H THR A 603 0.769 4.013 -7.616 1.00 0.00 H new ATOM 0 HA THR A 603 -1.475 3.656 -5.744 1.00 0.00 H new ATOM 0 HB THR A 603 -2.083 4.801 -8.418 1.00 0.00 H new ATOM 0 HG1 THR A 603 -1.627 6.956 -7.615 1.00 0.00 H new ATOM 0 HG21 THR A 603 -3.771 6.026 -7.103 1.00 0.00 H new ATOM 0 HG22 THR A 603 -3.840 4.275 -6.791 1.00 0.00 H new ATOM 0 HG23 THR A 603 -3.080 5.362 -5.604 1.00 0.00 H new ATOM 653 N VAL A 604 -2.098 1.605 -7.022 1.00 0.00 N ATOM 654 CA VAL A 604 -2.396 0.360 -7.715 1.00 0.00 C ATOM 655 C VAL A 604 -3.896 0.105 -7.813 1.00 0.00 C ATOM 656 O VAL A 604 -4.702 0.853 -7.261 1.00 0.00 O ATOM 657 CB VAL A 604 -1.724 -0.828 -7.006 1.00 0.00 C ATOM 658 CG1 VAL A 604 -0.222 -0.799 -7.243 1.00 0.00 C ATOM 659 CG2 VAL A 604 -2.033 -0.804 -5.516 1.00 0.00 C ATOM 0 H VAL A 604 -2.467 1.660 -6.073 1.00 0.00 H new ATOM 0 HA VAL A 604 -2.000 0.458 -8.726 1.00 0.00 H new ATOM 0 HB VAL A 604 -2.123 -1.754 -7.421 1.00 0.00 H new ATOM 0 HG11 VAL A 604 0.243 -1.645 -6.736 1.00 0.00 H new ATOM 0 HG12 VAL A 604 -0.021 -0.862 -8.312 1.00 0.00 H new ATOM 0 HG13 VAL A 604 0.190 0.130 -6.850 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.550 -1.652 -5.030 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -1.660 0.124 -5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 604 -3.111 -0.867 -5.367 1.00 0.00 H new ATOM 669 N THR A 605 -4.256 -0.960 -8.522 1.00 0.00 N ATOM 670 CA THR A 605 -5.655 -1.328 -8.701 1.00 0.00 C ATOM 671 C THR A 605 -5.866 -2.814 -8.434 1.00 0.00 C ATOM 672 O THR A 605 -6.998 -3.271 -8.267 1.00 0.00 O ATOM 673 CB THR A 605 -6.145 -1.000 -10.123 1.00 0.00 C ATOM 674 OG1 THR A 605 -5.060 -1.109 -11.053 1.00 0.00 O ATOM 675 CG2 THR A 605 -6.732 0.402 -10.182 1.00 0.00 C ATOM 0 H THR A 605 -3.595 -1.585 -8.983 1.00 0.00 H new ATOM 0 HA THR A 605 -6.232 -0.744 -7.984 1.00 0.00 H new ATOM 0 HB THR A 605 -6.924 -1.715 -10.390 1.00 0.00 H new ATOM 0 HG1 THR A 605 -5.380 -0.900 -11.955 1.00 0.00 H new ATOM 0 HG21 THR A 605 -7.072 0.612 -11.196 1.00 0.00 H new ATOM 0 HG22 THR A 605 -7.575 0.473 -9.495 1.00 0.00 H new ATOM 0 HG23 THR A 605 -5.970 1.128 -9.897 1.00 0.00 H new ATOM 683 N GLY A 606 -4.769 -3.563 -8.398 1.00 0.00 N ATOM 684 CA GLY A 606 -4.851 -4.991 -8.152 1.00 0.00 C ATOM 685 C GLY A 606 -4.628 -5.345 -6.694 1.00 0.00 C ATOM 686 O GLY A 606 -5.478 -5.073 -5.847 1.00 0.00 O ATOM 0 H GLY A 606 -3.823 -3.206 -8.535 1.00 0.00 H new ATOM 0 HA2 GLY A 606 -5.830 -5.354 -8.465 1.00 0.00 H new ATOM 0 HA3 GLY A 606 -4.110 -5.505 -8.764 1.00 0.00 H new ATOM 690 N THR A 607 -3.483 -5.955 -6.401 1.00 0.00 N ATOM 691 CA THR A 607 -3.155 -6.349 -5.036 1.00 0.00 C ATOM 692 C THR A 607 -1.719 -5.976 -4.676 1.00 0.00 C ATOM 693 O THR A 607 -1.412 -5.719 -3.512 1.00 0.00 O ATOM 694 CB THR A 607 -3.346 -7.862 -4.828 1.00 0.00 C ATOM 695 OG1 THR A 607 -3.327 -8.538 -6.090 1.00 0.00 O ATOM 696 CG2 THR A 607 -4.659 -8.148 -4.113 1.00 0.00 C ATOM 0 H THR A 607 -2.768 -6.187 -7.090 1.00 0.00 H new ATOM 0 HA THR A 607 -3.839 -5.807 -4.383 1.00 0.00 H new ATOM 0 HB THR A 607 -2.526 -8.227 -4.210 1.00 0.00 H new ATOM 0 HG1 THR A 607 -3.447 -9.500 -5.948 1.00 0.00 H new ATOM 0 HG21 THR A 607 -4.772 -9.224 -3.977 1.00 0.00 H new ATOM 0 HG22 THR A 607 -4.658 -7.657 -3.140 1.00 0.00 H new ATOM 0 HG23 THR A 607 -5.488 -7.768 -4.710 1.00 0.00 H new ATOM 704 N THR A 608 -0.845 -5.952 -5.677 1.00 0.00 N ATOM 705 CA THR A 608 0.557 -5.611 -5.458 1.00 0.00 C ATOM 706 C THR A 608 0.781 -4.106 -5.562 1.00 0.00 C ATOM 707 O THR A 608 -0.165 -3.342 -5.747 1.00 0.00 O ATOM 708 CB THR A 608 1.476 -6.328 -6.464 1.00 0.00 C ATOM 709 OG1 THR A 608 0.857 -6.363 -7.755 1.00 0.00 O ATOM 710 CG2 THR A 608 1.781 -7.746 -6.003 1.00 0.00 C ATOM 0 H THR A 608 -1.082 -6.164 -6.646 1.00 0.00 H new ATOM 0 HA THR A 608 0.808 -5.943 -4.451 1.00 0.00 H new ATOM 0 HB THR A 608 2.412 -5.774 -6.526 1.00 0.00 H new ATOM 0 HG1 THR A 608 1.449 -6.819 -8.389 1.00 0.00 H new ATOM 0 HG21 THR A 608 2.432 -8.233 -6.729 1.00 0.00 H new ATOM 0 HG22 THR A 608 2.279 -7.714 -5.034 1.00 0.00 H new ATOM 0 HG23 THR A 608 0.851 -8.308 -5.915 1.00 0.00 H new ATOM 718 N ALA A 609 2.039 -3.690 -5.439 1.00 0.00 N ATOM 719 CA ALA A 609 2.396 -2.275 -5.519 1.00 0.00 C ATOM 720 C ALA A 609 3.879 -2.103 -5.822 1.00 0.00 C ATOM 721 O ALA A 609 4.727 -2.744 -5.201 1.00 0.00 O ATOM 722 CB ALA A 609 2.040 -1.567 -4.219 1.00 0.00 C ATOM 0 H ALA A 609 2.831 -4.314 -5.283 1.00 0.00 H new ATOM 0 HA ALA A 609 1.827 -1.827 -6.334 1.00 0.00 H new ATOM 0 HB1 ALA A 609 2.311 -0.514 -4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 609 0.969 -1.654 -4.039 1.00 0.00 H new ATOM 0 HB3 ALA A 609 2.585 -2.025 -3.394 1.00 0.00 H new ATOM 728 N THR A 610 4.189 -1.233 -6.778 1.00 0.00 N ATOM 729 CA THR A 610 5.572 -0.978 -7.160 1.00 0.00 C ATOM 730 C THR A 610 5.945 0.483 -6.927 1.00 0.00 C ATOM 731 O THR A 610 5.466 1.375 -7.627 1.00 0.00 O ATOM 732 CB THR A 610 5.826 -1.333 -8.636 1.00 0.00 C ATOM 733 OG1 THR A 610 5.199 -2.581 -8.956 1.00 0.00 O ATOM 734 CG2 THR A 610 7.319 -1.423 -8.922 1.00 0.00 C ATOM 0 H THR A 610 3.500 -0.693 -7.302 1.00 0.00 H new ATOM 0 HA THR A 610 6.195 -1.615 -6.532 1.00 0.00 H new ATOM 0 HB THR A 610 5.399 -0.543 -9.254 1.00 0.00 H new ATOM 0 HG1 THR A 610 5.364 -2.798 -9.897 1.00 0.00 H new ATOM 0 HG21 THR A 610 7.474 -1.675 -9.971 1.00 0.00 H new ATOM 0 HG22 THR A 610 7.789 -0.464 -8.706 1.00 0.00 H new ATOM 0 HG23 THR A 610 7.764 -2.195 -8.294 1.00 0.00 H new ATOM 742 N ILE A 611 6.804 0.716 -5.940 1.00 0.00 N ATOM 743 CA ILE A 611 7.245 2.067 -5.612 1.00 0.00 C ATOM 744 C ILE A 611 8.656 2.319 -6.135 1.00 0.00 C ATOM 745 O ILE A 611 9.587 1.578 -5.820 1.00 0.00 O ATOM 746 CB ILE A 611 7.214 2.312 -4.090 1.00 0.00 C ATOM 747 CG1 ILE A 611 5.790 2.137 -3.556 1.00 0.00 C ATOM 748 CG2 ILE A 611 7.742 3.701 -3.760 1.00 0.00 C ATOM 749 CD1 ILE A 611 5.623 0.932 -2.656 1.00 0.00 C ATOM 0 H ILE A 611 7.209 -0.014 -5.353 1.00 0.00 H new ATOM 0 HA ILE A 611 6.553 2.758 -6.094 1.00 0.00 H new ATOM 0 HB ILE A 611 7.860 1.579 -3.607 1.00 0.00 H new ATOM 0 HG12 ILE A 611 5.505 3.033 -3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 611 5.104 2.049 -4.398 1.00 0.00 H new ATOM 0 HG21 ILE A 611 7.712 3.855 -2.681 1.00 0.00 H new ATOM 0 HG22 ILE A 611 8.770 3.792 -4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.123 4.452 -4.251 1.00 0.00 H new ATOM 0 HD11 ILE A 611 4.589 0.872 -2.316 1.00 0.00 H new ATOM 0 HD12 ILE A 611 5.876 0.027 -3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 611 6.283 1.027 -1.794 1.00 0.00 H new ATOM 761 N SER A 612 8.804 3.370 -6.937 1.00 0.00 N ATOM 762 CA SER A 612 10.099 3.720 -7.509 1.00 0.00 C ATOM 763 C SER A 612 10.652 4.992 -6.873 1.00 0.00 C ATOM 764 O SER A 612 9.940 5.704 -6.166 1.00 0.00 O ATOM 765 CB SER A 612 9.977 3.906 -9.022 1.00 0.00 C ATOM 766 OG SER A 612 9.673 2.680 -9.663 1.00 0.00 O ATOM 0 H SER A 612 8.043 3.994 -7.205 1.00 0.00 H new ATOM 0 HA SER A 612 10.790 2.903 -7.303 1.00 0.00 H new ATOM 0 HB2 SER A 612 9.198 4.637 -9.240 1.00 0.00 H new ATOM 0 HB3 SER A 612 10.910 4.306 -9.419 1.00 0.00 H new ATOM 0 HG SER A 612 9.599 2.826 -10.629 1.00 0.00 H new ATOM 772 N GLY A 613 11.926 5.272 -7.134 1.00 0.00 N ATOM 773 CA GLY A 613 12.555 6.459 -6.584 1.00 0.00 C ATOM 774 C GLY A 613 12.983 6.278 -5.141 1.00 0.00 C ATOM 775 O GLY A 613 12.641 7.089 -4.280 1.00 0.00 O ATOM 0 H GLY A 613 12.534 4.697 -7.717 1.00 0.00 H new ATOM 0 HA2 GLY A 613 13.425 6.717 -7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 613 11.861 7.297 -6.651 1.00 0.00 H new ATOM 779 N LEU A 614 13.733 5.213 -4.876 1.00 0.00 N ATOM 780 CA LEU A 614 14.208 4.929 -3.528 1.00 0.00 C ATOM 781 C LEU A 614 15.732 4.945 -3.470 1.00 0.00 C ATOM 782 O LEU A 614 16.403 4.913 -4.503 1.00 0.00 O ATOM 783 CB LEU A 614 13.684 3.572 -3.054 1.00 0.00 C ATOM 784 CG LEU A 614 12.167 3.411 -3.084 1.00 0.00 C ATOM 785 CD1 LEU A 614 11.789 1.938 -3.083 1.00 0.00 C ATOM 786 CD2 LEU A 614 11.548 4.122 -1.898 1.00 0.00 C ATOM 0 H LEU A 614 14.025 4.533 -5.578 1.00 0.00 H new ATOM 0 HA LEU A 614 13.829 5.709 -2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 614 14.128 2.793 -3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 614 14.030 3.403 -2.034 1.00 0.00 H new ATOM 0 HG LEU A 614 11.783 3.860 -4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 614 10.704 1.841 -3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 614 12.214 1.453 -3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 614 12.178 1.463 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 614 10.465 4.002 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 614 11.936 3.694 -0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 614 11.797 5.182 -1.939 1.00 0.00 H new ATOM 798 N ALA A 615 16.274 4.992 -2.255 1.00 0.00 N ATOM 799 CA ALA A 615 17.719 5.011 -2.059 1.00 0.00 C ATOM 800 C ALA A 615 18.152 3.916 -1.088 1.00 0.00 C ATOM 801 O ALA A 615 17.568 3.759 -0.015 1.00 0.00 O ATOM 802 CB ALA A 615 18.166 6.374 -1.553 1.00 0.00 C ATOM 0 H ALA A 615 15.732 5.018 -1.391 1.00 0.00 H new ATOM 0 HA ALA A 615 18.195 4.820 -3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 615 19.247 6.373 -1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 615 17.896 7.139 -2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 615 17.676 6.588 -0.603 1.00 0.00 H new ATOM 808 N ALA A 616 19.177 3.161 -1.471 1.00 0.00 N ATOM 809 CA ALA A 616 19.687 2.078 -0.635 1.00 0.00 C ATOM 810 C ALA A 616 20.359 2.619 0.623 1.00 0.00 C ATOM 811 O ALA A 616 20.479 3.832 0.801 1.00 0.00 O ATOM 812 CB ALA A 616 20.659 1.214 -1.426 1.00 0.00 C ATOM 0 H ALA A 616 19.671 3.279 -2.355 1.00 0.00 H new ATOM 0 HA ALA A 616 18.841 1.465 -0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 616 21.032 0.410 -0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 616 20.147 0.787 -2.289 1.00 0.00 H new ATOM 0 HB3 ALA A 616 21.495 1.825 -1.766 1.00 0.00 H new ATOM 818 N ASP A 617 20.793 1.710 1.494 1.00 0.00 N ATOM 819 CA ASP A 617 21.453 2.086 2.742 1.00 0.00 C ATOM 820 C ASP A 617 20.539 2.951 3.604 1.00 0.00 C ATOM 821 O ASP A 617 21.006 3.696 4.467 1.00 0.00 O ATOM 822 CB ASP A 617 22.757 2.833 2.451 1.00 0.00 C ATOM 823 CG ASP A 617 23.888 1.897 2.067 1.00 0.00 C ATOM 824 OD1 ASP A 617 24.002 0.819 2.689 1.00 0.00 O ATOM 825 OD2 ASP A 617 24.657 2.241 1.147 1.00 0.00 O ATOM 0 H ASP A 617 20.699 0.704 1.357 1.00 0.00 H new ATOM 0 HA ASP A 617 21.681 1.172 3.291 1.00 0.00 H new ATOM 0 HB2 ASP A 617 22.591 3.547 1.645 1.00 0.00 H new ATOM 0 HB3 ASP A 617 23.047 3.407 3.331 1.00 0.00 H new ATOM 830 N THR A 618 19.234 2.850 3.365 1.00 0.00 N ATOM 831 CA THR A 618 18.257 3.624 4.121 1.00 0.00 C ATOM 832 C THR A 618 17.016 2.796 4.436 1.00 0.00 C ATOM 833 O THR A 618 16.659 1.886 3.688 1.00 0.00 O ATOM 834 CB THR A 618 17.829 4.889 3.352 1.00 0.00 C ATOM 835 OG1 THR A 618 18.892 5.330 2.499 1.00 0.00 O ATOM 836 CG2 THR A 618 17.449 6.004 4.315 1.00 0.00 C ATOM 0 H THR A 618 18.830 2.240 2.654 1.00 0.00 H new ATOM 0 HA THR A 618 18.741 3.915 5.053 1.00 0.00 H new ATOM 0 HB THR A 618 16.958 4.640 2.745 1.00 0.00 H new ATOM 0 HG1 THR A 618 18.833 4.867 1.637 1.00 0.00 H new ATOM 0 HG21 THR A 618 17.150 6.887 3.750 1.00 0.00 H new ATOM 0 HG22 THR A 618 16.619 5.677 4.942 1.00 0.00 H new ATOM 0 HG23 THR A 618 18.305 6.248 4.944 1.00 0.00 H new ATOM 844 N SER A 619 16.360 3.123 5.545 1.00 0.00 N ATOM 845 CA SER A 619 15.153 2.418 5.957 1.00 0.00 C ATOM 846 C SER A 619 13.915 3.123 5.411 1.00 0.00 C ATOM 847 O SER A 619 13.895 4.347 5.287 1.00 0.00 O ATOM 848 CB SER A 619 15.081 2.331 7.483 1.00 0.00 C ATOM 849 OG SER A 619 16.178 1.601 8.005 1.00 0.00 O ATOM 0 H SER A 619 16.645 3.873 6.175 1.00 0.00 H new ATOM 0 HA SER A 619 15.187 1.407 5.551 1.00 0.00 H new ATOM 0 HB2 SER A 619 15.073 3.335 7.908 1.00 0.00 H new ATOM 0 HB3 SER A 619 14.148 1.852 7.779 1.00 0.00 H new ATOM 0 HG SER A 619 16.109 1.561 8.982 1.00 0.00 H new ATOM 855 N TYR A 620 12.887 2.348 5.078 1.00 0.00 N ATOM 856 CA TYR A 620 11.657 2.915 4.536 1.00 0.00 C ATOM 857 C TYR A 620 10.420 2.226 5.104 1.00 0.00 C ATOM 858 O TYR A 620 10.305 1.001 5.066 1.00 0.00 O ATOM 859 CB TYR A 620 11.649 2.798 3.010 1.00 0.00 C ATOM 860 CG TYR A 620 12.600 3.746 2.314 1.00 0.00 C ATOM 861 CD1 TYR A 620 12.390 5.119 2.348 1.00 0.00 C ATOM 862 CD2 TYR A 620 13.709 3.269 1.628 1.00 0.00 C ATOM 863 CE1 TYR A 620 13.259 5.990 1.720 1.00 0.00 C ATOM 864 CE2 TYR A 620 14.584 4.133 0.997 1.00 0.00 C ATOM 865 CZ TYR A 620 14.346 5.484 1.024 1.00 0.00 C ATOM 866 OH TYR A 620 15.224 6.356 0.419 1.00 0.00 O ATOM 0 H TYR A 620 12.881 1.332 5.173 1.00 0.00 H new ATOM 0 HA TYR A 620 11.626 3.965 4.826 1.00 0.00 H new ATOM 0 HB2 TYR A 620 11.905 1.775 2.733 1.00 0.00 H new ATOM 0 HB3 TYR A 620 10.638 2.983 2.647 1.00 0.00 H new ATOM 0 HD1 TYR A 620 11.533 5.512 2.874 1.00 0.00 H new ATOM 0 HD2 TYR A 620 13.891 2.205 1.587 1.00 0.00 H new ATOM 0 HE1 TYR A 620 13.093 7.056 1.771 1.00 0.00 H new ATOM 0 HE2 TYR A 620 15.452 3.746 0.484 1.00 0.00 H new ATOM 0 HH TYR A 620 16.079 6.344 0.898 1.00 0.00 H new ATOM 876 N THR A 621 9.487 3.028 5.606 1.00 0.00 N ATOM 877 CA THR A 621 8.242 2.510 6.157 1.00 0.00 C ATOM 878 C THR A 621 7.103 2.744 5.171 1.00 0.00 C ATOM 879 O THR A 621 6.991 3.825 4.594 1.00 0.00 O ATOM 880 CB THR A 621 7.894 3.179 7.501 1.00 0.00 C ATOM 881 OG1 THR A 621 8.494 4.478 7.570 1.00 0.00 O ATOM 882 CG2 THR A 621 8.377 2.332 8.669 1.00 0.00 C ATOM 0 H THR A 621 9.571 4.044 5.642 1.00 0.00 H new ATOM 0 HA THR A 621 8.376 1.442 6.330 1.00 0.00 H new ATOM 0 HB THR A 621 6.810 3.274 7.564 1.00 0.00 H new ATOM 0 HG1 THR A 621 8.267 4.898 8.426 1.00 0.00 H new ATOM 0 HG21 THR A 621 8.120 2.825 9.607 1.00 0.00 H new ATOM 0 HG22 THR A 621 7.899 1.353 8.631 1.00 0.00 H new ATOM 0 HG23 THR A 621 9.458 2.211 8.608 1.00 0.00 H new ATOM 890 N PHE A 622 6.271 1.728 4.961 1.00 0.00 N ATOM 891 CA PHE A 622 5.164 1.849 4.019 1.00 0.00 C ATOM 892 C PHE A 622 3.834 1.433 4.638 1.00 0.00 C ATOM 893 O PHE A 622 3.789 0.762 5.669 1.00 0.00 O ATOM 894 CB PHE A 622 5.437 1.004 2.775 1.00 0.00 C ATOM 895 CG PHE A 622 6.588 1.501 1.946 1.00 0.00 C ATOM 896 CD1 PHE A 622 6.595 2.794 1.447 1.00 0.00 C ATOM 897 CD2 PHE A 622 7.665 0.674 1.668 1.00 0.00 C ATOM 898 CE1 PHE A 622 7.654 3.252 0.685 1.00 0.00 C ATOM 899 CE2 PHE A 622 8.727 1.126 0.907 1.00 0.00 C ATOM 900 CZ PHE A 622 8.721 2.417 0.415 1.00 0.00 C ATOM 0 H PHE A 622 6.341 0.822 5.424 1.00 0.00 H new ATOM 0 HA PHE A 622 5.088 2.901 3.744 1.00 0.00 H new ATOM 0 HB2 PHE A 622 5.638 -0.023 3.081 1.00 0.00 H new ATOM 0 HB3 PHE A 622 4.539 0.982 2.157 1.00 0.00 H new ATOM 0 HD1 PHE A 622 5.764 3.451 1.656 1.00 0.00 H new ATOM 0 HD2 PHE A 622 7.675 -0.336 2.051 1.00 0.00 H new ATOM 0 HE1 PHE A 622 7.647 4.262 0.301 1.00 0.00 H new ATOM 0 HE2 PHE A 622 9.560 0.471 0.697 1.00 0.00 H new ATOM 0 HZ PHE A 622 9.549 2.773 -0.180 1.00 0.00 H new ATOM 910 N THR A 623 2.754 1.834 3.975 1.00 0.00 N ATOM 911 CA THR A 623 1.401 1.516 4.413 1.00 0.00 C ATOM 912 C THR A 623 0.489 1.359 3.202 1.00 0.00 C ATOM 913 O THR A 623 0.848 1.763 2.097 1.00 0.00 O ATOM 914 CB THR A 623 0.831 2.608 5.339 1.00 0.00 C ATOM 915 OG1 THR A 623 1.317 3.895 4.937 1.00 0.00 O ATOM 916 CG2 THR A 623 1.215 2.347 6.788 1.00 0.00 C ATOM 0 H THR A 623 2.793 2.388 3.120 1.00 0.00 H new ATOM 0 HA THR A 623 1.446 0.582 4.973 1.00 0.00 H new ATOM 0 HB THR A 623 -0.256 2.588 5.259 1.00 0.00 H new ATOM 0 HG1 THR A 623 0.949 4.583 5.529 1.00 0.00 H new ATOM 0 HG21 THR A 623 0.801 3.132 7.421 1.00 0.00 H new ATOM 0 HG22 THR A 623 0.819 1.381 7.101 1.00 0.00 H new ATOM 0 HG23 THR A 623 2.301 2.341 6.881 1.00 0.00 H new ATOM 924 N VAL A 624 -0.685 0.772 3.403 1.00 0.00 N ATOM 925 CA VAL A 624 -1.627 0.573 2.305 1.00 0.00 C ATOM 926 C VAL A 624 -3.046 0.954 2.709 1.00 0.00 C ATOM 927 O VAL A 624 -3.469 0.714 3.839 1.00 0.00 O ATOM 928 CB VAL A 624 -1.623 -0.887 1.812 1.00 0.00 C ATOM 929 CG1 VAL A 624 -0.663 -1.053 0.645 1.00 0.00 C ATOM 930 CG2 VAL A 624 -1.265 -1.838 2.944 1.00 0.00 C ATOM 0 H VAL A 624 -1.007 0.428 4.308 1.00 0.00 H new ATOM 0 HA VAL A 624 -1.298 1.225 1.496 1.00 0.00 H new ATOM 0 HB VAL A 624 -2.627 -1.135 1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 624 -0.673 -2.090 0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 624 -0.971 -0.404 -0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 624 0.345 -0.784 0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 624 -1.268 -2.863 2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 624 -0.274 -1.593 3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 624 -1.996 -1.740 3.746 1.00 0.00 H new ATOM 940 N LYS A 625 -3.776 1.549 1.771 1.00 0.00 N ATOM 941 CA LYS A 625 -5.150 1.967 2.019 1.00 0.00 C ATOM 942 C LYS A 625 -6.070 1.493 0.897 1.00 0.00 C ATOM 943 O LYS A 625 -5.608 1.135 -0.186 1.00 0.00 O ATOM 944 CB LYS A 625 -5.227 3.489 2.143 1.00 0.00 C ATOM 945 CG LYS A 625 -4.998 3.996 3.557 1.00 0.00 C ATOM 946 CD LYS A 625 -6.184 4.803 4.055 1.00 0.00 C ATOM 947 CE LYS A 625 -5.790 5.732 5.192 1.00 0.00 C ATOM 948 NZ LYS A 625 -6.592 6.985 5.191 1.00 0.00 N ATOM 0 H LYS A 625 -3.438 1.753 0.831 1.00 0.00 H new ATOM 0 HA LYS A 625 -5.479 1.515 2.955 1.00 0.00 H new ATOM 0 HB2 LYS A 625 -4.486 3.937 1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 625 -6.206 3.824 1.800 1.00 0.00 H new ATOM 0 HG2 LYS A 625 -4.825 3.152 4.224 1.00 0.00 H new ATOM 0 HG3 LYS A 625 -4.100 4.613 3.583 1.00 0.00 H new ATOM 0 HD2 LYS A 625 -6.598 5.388 3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 625 -6.969 4.127 4.392 1.00 0.00 H new ATOM 0 HE2 LYS A 625 -5.923 5.217 6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 625 -4.732 5.979 5.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 625 -6.377 7.536 6.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 625 -6.356 7.547 4.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 625 -7.605 6.749 5.177 1.00 0.00 H new ATOM 962 N ALA A 626 -7.373 1.495 1.164 1.00 0.00 N ATOM 963 CA ALA A 626 -8.358 1.067 0.177 1.00 0.00 C ATOM 964 C ALA A 626 -9.225 2.235 -0.278 1.00 0.00 C ATOM 965 O ALA A 626 -9.732 3.000 0.543 1.00 0.00 O ATOM 966 CB ALA A 626 -9.227 -0.045 0.747 1.00 0.00 C ATOM 0 H ALA A 626 -7.771 1.788 2.056 1.00 0.00 H new ATOM 0 HA ALA A 626 -7.821 0.687 -0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 626 -9.958 -0.355 -0.000 1.00 0.00 H new ATOM 0 HB2 ALA A 626 -8.600 -0.895 1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 626 -9.746 0.318 1.634 1.00 0.00 H new ATOM 972 N LYS A 627 -9.393 2.366 -1.591 1.00 0.00 N ATOM 973 CA LYS A 627 -10.201 3.442 -2.154 1.00 0.00 C ATOM 974 C LYS A 627 -11.312 2.885 -3.038 1.00 0.00 C ATOM 975 O LYS A 627 -11.196 1.786 -3.580 1.00 0.00 O ATOM 976 CB LYS A 627 -9.322 4.400 -2.961 1.00 0.00 C ATOM 977 CG LYS A 627 -8.536 3.718 -4.069 1.00 0.00 C ATOM 978 CD LYS A 627 -7.422 4.611 -4.593 1.00 0.00 C ATOM 979 CE LYS A 627 -7.769 5.196 -5.952 1.00 0.00 C ATOM 980 NZ LYS A 627 -7.890 4.142 -6.997 1.00 0.00 N ATOM 0 H LYS A 627 -8.981 1.741 -2.284 1.00 0.00 H new ATOM 0 HA LYS A 627 -10.659 3.988 -1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 627 -9.951 5.176 -3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 627 -8.625 4.897 -2.286 1.00 0.00 H new ATOM 0 HG2 LYS A 627 -8.111 2.786 -3.695 1.00 0.00 H new ATOM 0 HG3 LYS A 627 -9.209 3.456 -4.886 1.00 0.00 H new ATOM 0 HD2 LYS A 627 -7.238 5.419 -3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 627 -6.499 4.036 -4.668 1.00 0.00 H new ATOM 0 HE2 LYS A 627 -8.707 5.746 -5.881 1.00 0.00 H new ATOM 0 HE3 LYS A 627 -7.001 5.912 -6.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 627 -7.688 4.554 -7.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 627 -7.211 3.379 -6.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 627 -8.856 3.756 -6.991 1.00 0.00 H new ATOM 994 N ASP A 628 -12.389 3.652 -3.178 1.00 0.00 N ATOM 995 CA ASP A 628 -13.523 3.237 -3.996 1.00 0.00 C ATOM 996 C ASP A 628 -13.701 4.168 -5.192 1.00 0.00 C ATOM 997 O ASP A 628 -12.939 5.118 -5.370 1.00 0.00 O ATOM 998 CB ASP A 628 -14.803 3.216 -3.156 1.00 0.00 C ATOM 999 CG ASP A 628 -15.091 1.844 -2.578 1.00 0.00 C ATOM 1000 OD1 ASP A 628 -14.180 1.258 -1.957 1.00 0.00 O ATOM 1001 OD2 ASP A 628 -16.227 1.354 -2.748 1.00 0.00 O ATOM 0 H ASP A 628 -12.500 4.564 -2.735 1.00 0.00 H new ATOM 0 HA ASP A 628 -13.323 2.232 -4.368 1.00 0.00 H new ATOM 0 HB2 ASP A 628 -14.714 3.938 -2.344 1.00 0.00 H new ATOM 0 HB3 ASP A 628 -15.645 3.532 -3.773 1.00 0.00 H new ATOM 1006 N ALA A 629 -14.710 3.886 -6.010 1.00 0.00 N ATOM 1007 CA ALA A 629 -14.988 4.696 -7.190 1.00 0.00 C ATOM 1008 C ALA A 629 -15.830 5.916 -6.835 1.00 0.00 C ATOM 1009 O ALA A 629 -16.114 6.756 -7.689 1.00 0.00 O ATOM 1010 CB ALA A 629 -15.690 3.858 -8.247 1.00 0.00 C ATOM 0 H ALA A 629 -15.349 3.102 -5.877 1.00 0.00 H new ATOM 0 HA ALA A 629 -14.038 5.049 -7.591 1.00 0.00 H new ATOM 0 HB1 ALA A 629 -15.893 4.473 -9.124 1.00 0.00 H new ATOM 0 HB2 ALA A 629 -15.052 3.021 -8.531 1.00 0.00 H new ATOM 0 HB3 ALA A 629 -16.629 3.478 -7.845 1.00 0.00 H new ATOM 1016 N ALA A 630 -16.225 6.008 -5.568 1.00 0.00 N ATOM 1017 CA ALA A 630 -17.034 7.126 -5.098 1.00 0.00 C ATOM 1018 C ALA A 630 -16.174 8.159 -4.378 1.00 0.00 C ATOM 1019 O ALA A 630 -16.678 9.181 -3.911 1.00 0.00 O ATOM 1020 CB ALA A 630 -18.143 6.627 -4.182 1.00 0.00 C ATOM 0 H ALA A 630 -15.997 5.321 -4.849 1.00 0.00 H new ATOM 0 HA ALA A 630 -17.485 7.608 -5.966 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -18.739 7.472 -3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -18.780 5.931 -4.728 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -17.704 6.119 -3.323 1.00 0.00 H new ATOM 1026 N GLY A 631 -14.876 7.886 -4.295 1.00 0.00 N ATOM 1027 CA GLY A 631 -13.965 8.802 -3.632 1.00 0.00 C ATOM 1028 C GLY A 631 -13.921 8.597 -2.130 1.00 0.00 C ATOM 1029 O GLY A 631 -13.779 9.555 -1.371 1.00 0.00 O ATOM 0 H GLY A 631 -14.438 7.047 -4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 631 -12.963 8.672 -4.042 1.00 0.00 H new ATOM 0 HA3 GLY A 631 -14.267 9.827 -3.846 1.00 0.00 H new ATOM 1033 N ASN A 632 -14.042 7.345 -1.701 1.00 0.00 N ATOM 1034 CA ASN A 632 -14.016 7.019 -0.280 1.00 0.00 C ATOM 1035 C ASN A 632 -12.813 6.144 0.056 1.00 0.00 C ATOM 1036 O ASN A 632 -12.538 5.160 -0.631 1.00 0.00 O ATOM 1037 CB ASN A 632 -15.307 6.305 0.125 1.00 0.00 C ATOM 1038 CG ASN A 632 -16.534 7.168 -0.082 1.00 0.00 C ATOM 1039 OD1 ASN A 632 -16.932 7.339 -1.338 1.00 0.00 O flip ATOM 1040 ND2 ASN A 632 -17.118 7.677 0.874 1.00 0.00 N flip ATOM 0 H ASN A 632 -14.159 6.540 -2.317 1.00 0.00 H new ATOM 0 HA ASN A 632 -13.933 7.951 0.279 1.00 0.00 H new ATOM 0 HB2 ASN A 632 -15.409 5.388 -0.455 1.00 0.00 H new ATOM 0 HB3 ASN A 632 -15.244 6.013 1.173 1.00 0.00 H new ATOM 0 HD21 ASN A 632 -16.778 7.519 1.822 1.00 0.00 H new ATOM 0 HD22 ASN A 632 -17.943 8.257 0.718 1.00 0.00 H new ATOM 1047 N VAL A 633 -12.103 6.507 1.120 1.00 0.00 N ATOM 1048 CA VAL A 633 -10.933 5.753 1.551 1.00 0.00 C ATOM 1049 C VAL A 633 -11.112 5.226 2.973 1.00 0.00 C ATOM 1050 O VAL A 633 -11.760 5.864 3.804 1.00 0.00 O ATOM 1051 CB VAL A 633 -9.650 6.609 1.476 1.00 0.00 C ATOM 1052 CG1 VAL A 633 -9.530 7.513 2.691 1.00 0.00 C ATOM 1053 CG2 VAL A 633 -8.421 5.723 1.340 1.00 0.00 C ATOM 0 H VAL A 633 -12.318 7.319 1.699 1.00 0.00 H new ATOM 0 HA VAL A 633 -10.829 4.909 0.869 1.00 0.00 H new ATOM 0 HB VAL A 633 -9.715 7.241 0.590 1.00 0.00 H new ATOM 0 HG11 VAL A 633 -8.618 8.106 2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 633 -10.392 8.178 2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 633 -9.493 6.905 3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 633 -7.528 6.345 1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 633 -8.353 5.061 2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 633 -8.501 5.127 0.431 1.00 0.00 H new ATOM 1063 N SER A 634 -10.536 4.060 3.242 1.00 0.00 N ATOM 1064 CA SER A 634 -10.631 3.448 4.563 1.00 0.00 C ATOM 1065 C SER A 634 -9.469 3.896 5.447 1.00 0.00 C ATOM 1066 O SER A 634 -8.929 4.987 5.268 1.00 0.00 O ATOM 1067 CB SER A 634 -10.646 1.925 4.442 1.00 0.00 C ATOM 1068 OG SER A 634 -11.473 1.343 5.433 1.00 0.00 O ATOM 0 H SER A 634 -9.999 3.520 2.564 1.00 0.00 H new ATOM 0 HA SER A 634 -11.563 3.772 5.026 1.00 0.00 H new ATOM 0 HB2 SER A 634 -11.003 1.639 3.452 1.00 0.00 H new ATOM 0 HB3 SER A 634 -9.631 1.539 4.539 1.00 0.00 H new ATOM 0 HG SER A 634 -12.402 1.335 5.121 1.00 0.00 H new ATOM 1074 N ALA A 635 -9.089 3.049 6.400 1.00 0.00 N ATOM 1075 CA ALA A 635 -7.989 3.362 7.305 1.00 0.00 C ATOM 1076 C ALA A 635 -6.662 2.865 6.743 1.00 0.00 C ATOM 1077 O ALA A 635 -6.626 2.196 5.711 1.00 0.00 O ATOM 1078 CB ALA A 635 -8.245 2.758 8.677 1.00 0.00 C ATOM 0 H ALA A 635 -9.526 2.142 6.565 1.00 0.00 H new ATOM 0 HA ALA A 635 -7.929 4.446 7.406 1.00 0.00 H new ATOM 0 HB1 ALA A 635 -7.416 3.000 9.342 1.00 0.00 H new ATOM 0 HB2 ALA A 635 -9.169 3.165 9.087 1.00 0.00 H new ATOM 0 HB3 ALA A 635 -8.334 1.675 8.587 1.00 0.00 H new ATOM 1084 N ALA A 636 -5.570 3.200 7.425 1.00 0.00 N ATOM 1085 CA ALA A 636 -4.244 2.784 6.989 1.00 0.00 C ATOM 1086 C ALA A 636 -3.861 1.441 7.600 1.00 0.00 C ATOM 1087 O ALA A 636 -3.984 1.239 8.808 1.00 0.00 O ATOM 1088 CB ALA A 636 -3.212 3.843 7.349 1.00 0.00 C ATOM 0 H ALA A 636 -5.579 3.757 8.279 1.00 0.00 H new ATOM 0 HA ALA A 636 -4.266 2.668 5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 636 -2.226 3.518 7.017 1.00 0.00 H new ATOM 0 HB2 ALA A 636 -3.468 4.782 6.859 1.00 0.00 H new ATOM 0 HB3 ALA A 636 -3.201 3.988 8.429 1.00 0.00 H new ATOM 1094 N SER A 637 -3.396 0.525 6.756 1.00 0.00 N ATOM 1095 CA SER A 637 -2.993 -0.800 7.211 1.00 0.00 C ATOM 1096 C SER A 637 -1.743 -0.723 8.079 1.00 0.00 C ATOM 1097 O SER A 637 -1.218 0.360 8.335 1.00 0.00 O ATOM 1098 CB SER A 637 -2.739 -1.715 6.018 1.00 0.00 C ATOM 1099 OG SER A 637 -3.061 -3.060 6.326 1.00 0.00 O ATOM 0 H SER A 637 -3.289 0.677 5.753 1.00 0.00 H new ATOM 0 HA SER A 637 -3.805 -1.211 7.811 1.00 0.00 H new ATOM 0 HB2 SER A 637 -3.334 -1.382 5.168 1.00 0.00 H new ATOM 0 HB3 SER A 637 -1.692 -1.648 5.721 1.00 0.00 H new ATOM 0 HG SER A 637 -3.989 -3.111 6.637 1.00 0.00 H new ATOM 1105 N ASN A 638 -1.271 -1.882 8.528 1.00 0.00 N ATOM 1106 CA ASN A 638 -0.081 -1.950 9.368 1.00 0.00 C ATOM 1107 C ASN A 638 1.137 -1.408 8.625 1.00 0.00 C ATOM 1108 O ASN A 638 1.215 -1.490 7.399 1.00 0.00 O ATOM 1109 CB ASN A 638 0.176 -3.392 9.811 1.00 0.00 C ATOM 1110 CG ASN A 638 -1.099 -4.212 9.889 1.00 0.00 C ATOM 1111 OD1 ASN A 638 -1.190 -5.295 9.311 1.00 0.00 O ATOM 1112 ND2 ASN A 638 -2.091 -3.698 10.606 1.00 0.00 N ATOM 0 H ASN A 638 -1.695 -2.787 8.324 1.00 0.00 H new ATOM 0 HA ASN A 638 -0.252 -1.333 10.250 1.00 0.00 H new ATOM 0 HB2 ASN A 638 0.867 -3.865 9.113 1.00 0.00 H new ATOM 0 HB3 ASN A 638 0.662 -3.388 10.787 1.00 0.00 H new ATOM 0 HD21 ASN A 638 -2.972 -4.204 10.694 1.00 0.00 H new ATOM 0 HD22 ASN A 638 -1.972 -2.797 11.069 1.00 0.00 H new ATOM 1119 N ALA A 639 2.084 -0.852 9.374 1.00 0.00 N ATOM 1120 CA ALA A 639 3.297 -0.295 8.786 1.00 0.00 C ATOM 1121 C ALA A 639 4.398 -1.344 8.691 1.00 0.00 C ATOM 1122 O ALA A 639 4.765 -1.965 9.689 1.00 0.00 O ATOM 1123 CB ALA A 639 3.778 0.899 9.597 1.00 0.00 C ATOM 0 H ALA A 639 2.035 -0.775 10.390 1.00 0.00 H new ATOM 0 HA ALA A 639 3.057 0.035 7.775 1.00 0.00 H new ATOM 0 HB1 ALA A 639 4.684 1.304 9.146 1.00 0.00 H new ATOM 0 HB2 ALA A 639 3.004 1.666 9.609 1.00 0.00 H new ATOM 0 HB3 ALA A 639 3.991 0.583 10.618 1.00 0.00 H new ATOM 1129 N VAL A 640 4.924 -1.533 7.486 1.00 0.00 N ATOM 1130 CA VAL A 640 5.989 -2.503 7.260 1.00 0.00 C ATOM 1131 C VAL A 640 7.342 -1.804 7.140 1.00 0.00 C ATOM 1132 O VAL A 640 7.419 -0.653 6.710 1.00 0.00 O ATOM 1133 CB VAL A 640 5.712 -3.353 5.995 1.00 0.00 C ATOM 1134 CG1 VAL A 640 6.531 -2.871 4.804 1.00 0.00 C ATOM 1135 CG2 VAL A 640 5.983 -4.824 6.275 1.00 0.00 C ATOM 0 H VAL A 640 4.630 -1.027 6.650 1.00 0.00 H new ATOM 0 HA VAL A 640 6.016 -3.171 8.121 1.00 0.00 H new ATOM 0 HB VAL A 640 4.660 -3.233 5.737 1.00 0.00 H new ATOM 0 HG11 VAL A 640 6.310 -3.491 3.935 1.00 0.00 H new ATOM 0 HG12 VAL A 640 6.277 -1.834 4.584 1.00 0.00 H new ATOM 0 HG13 VAL A 640 7.593 -2.942 5.040 1.00 0.00 H new ATOM 0 HG21 VAL A 640 5.784 -5.408 5.377 1.00 0.00 H new ATOM 0 HG22 VAL A 640 7.025 -4.953 6.568 1.00 0.00 H new ATOM 0 HG23 VAL A 640 5.335 -5.166 7.082 1.00 0.00 H new ATOM 1145 N SER A 641 8.402 -2.502 7.529 1.00 0.00 N ATOM 1146 CA SER A 641 9.747 -1.941 7.468 1.00 0.00 C ATOM 1147 C SER A 641 10.611 -2.699 6.467 1.00 0.00 C ATOM 1148 O SER A 641 10.743 -3.920 6.545 1.00 0.00 O ATOM 1149 CB SER A 641 10.400 -1.972 8.850 1.00 0.00 C ATOM 1150 OG SER A 641 11.317 -0.901 9.004 1.00 0.00 O ATOM 0 H SER A 641 8.357 -3.455 7.889 1.00 0.00 H new ATOM 0 HA SER A 641 9.665 -0.906 7.136 1.00 0.00 H new ATOM 0 HB2 SER A 641 9.631 -1.911 9.621 1.00 0.00 H new ATOM 0 HB3 SER A 641 10.917 -2.921 8.990 1.00 0.00 H new ATOM 0 HG SER A 641 11.720 -0.941 9.896 1.00 0.00 H new ATOM 1156 N VAL A 642 11.199 -1.965 5.529 1.00 0.00 N ATOM 1157 CA VAL A 642 12.055 -2.564 4.514 1.00 0.00 C ATOM 1158 C VAL A 642 13.410 -1.865 4.462 1.00 0.00 C ATOM 1159 O VAL A 642 13.489 -0.636 4.486 1.00 0.00 O ATOM 1160 CB VAL A 642 11.396 -2.514 3.120 1.00 0.00 C ATOM 1161 CG1 VAL A 642 11.016 -1.088 2.752 1.00 0.00 C ATOM 1162 CG2 VAL A 642 12.318 -3.116 2.069 1.00 0.00 C ATOM 0 H VAL A 642 11.098 -0.953 5.451 1.00 0.00 H new ATOM 0 HA VAL A 642 12.202 -3.608 4.793 1.00 0.00 H new ATOM 0 HB VAL A 642 10.483 -3.108 3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 642 10.553 -1.078 1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 642 10.312 -0.698 3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 642 11.910 -0.465 2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 642 11.835 -3.071 1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 642 13.251 -2.553 2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 642 12.529 -4.155 2.322 1.00 0.00 H new ATOM 1172 N LYS A 643 14.475 -2.659 4.397 1.00 0.00 N ATOM 1173 CA LYS A 643 15.829 -2.119 4.348 1.00 0.00 C ATOM 1174 C LYS A 643 16.410 -2.232 2.943 1.00 0.00 C ATOM 1175 O LYS A 643 16.680 -3.331 2.458 1.00 0.00 O ATOM 1176 CB LYS A 643 16.726 -2.856 5.347 1.00 0.00 C ATOM 1177 CG LYS A 643 17.632 -1.934 6.147 1.00 0.00 C ATOM 1178 CD LYS A 643 19.044 -2.490 6.249 1.00 0.00 C ATOM 1179 CE LYS A 643 19.847 -2.206 4.988 1.00 0.00 C ATOM 1180 NZ LYS A 643 21.268 -1.883 5.295 1.00 0.00 N ATOM 0 H LYS A 643 14.426 -3.678 4.377 1.00 0.00 H new ATOM 0 HA LYS A 643 15.785 -1.064 4.617 1.00 0.00 H new ATOM 0 HB2 LYS A 643 16.099 -3.423 6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 643 17.340 -3.577 4.808 1.00 0.00 H new ATOM 0 HG2 LYS A 643 17.660 -0.951 5.676 1.00 0.00 H new ATOM 0 HG3 LYS A 643 17.221 -1.796 7.147 1.00 0.00 H new ATOM 0 HD2 LYS A 643 19.548 -2.050 7.110 1.00 0.00 H new ATOM 0 HD3 LYS A 643 19.001 -3.566 6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 643 19.806 -3.073 4.329 1.00 0.00 H new ATOM 0 HE3 LYS A 643 19.394 -1.374 4.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 643 21.781 -1.696 4.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 643 21.309 -1.040 5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 643 21.708 -2.687 5.787 1.00 0.00 H new ATOM 1194 N THR A 644 16.602 -1.086 2.295 1.00 0.00 N ATOM 1195 CA THR A 644 17.154 -1.052 0.946 1.00 0.00 C ATOM 1196 C THR A 644 18.677 -1.059 0.975 1.00 0.00 C ATOM 1197 O THR A 644 19.288 -1.396 -0.061 1.00 0.00 O ATOM 1198 CB THR A 644 16.675 0.189 0.172 1.00 0.00 C ATOM 1199 OG1 THR A 644 16.863 1.365 0.968 1.00 0.00 O ATOM 1200 CG2 THR A 644 15.208 0.061 -0.211 1.00 0.00 C ATOM 1201 OXT THR A 644 19.248 -0.725 2.035 1.00 0.00 O ATOM 0 H THR A 644 16.383 -0.169 2.684 1.00 0.00 H new ATOM 0 HA THR A 644 16.797 -1.948 0.438 1.00 0.00 H new ATOM 0 HB THR A 644 17.265 0.268 -0.741 1.00 0.00 H new ATOM 0 HG1 THR A 644 16.897 2.152 0.385 1.00 0.00 H new ATOM 0 HG21 THR A 644 14.895 0.951 -0.757 1.00 0.00 H new ATOM 0 HG22 THR A 644 15.072 -0.818 -0.842 1.00 0.00 H new ATOM 0 HG23 THR A 644 14.604 -0.042 0.691 1.00 0.00 H new TER 1209 THR A 644