USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 909 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 600 THR OG1 : rot -70:sc= -1.22! USER MOD Set 1.2: A 605 GLN : amide:sc= -1.44! X(o=-2.7!,f=-2.8) USER MOD Single : A 521 THR OG1 : rot 180:sc= 0.0318 USER MOD Single : A 530 GLN :FLIP amide:sc= -0.0981 F(o=-1.6,f=-0.098) USER MOD Single : A 531 HIS :FLIP no HE2:sc= 0.161 F(o=-0.59,f=0.16) USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 LYS NZ :NH3+ 142:sc= 1.17 (180deg=0.15) USER MOD Single : A 543 SER OG : rot 180:sc= 0 USER MOD Single : A 544 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 547 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 550 THR OG1 : rot 107:sc= 0.952 USER MOD Single : A 552 TYR OH : rot 180:sc= 0.252 USER MOD Single : A 553 TYR OH : rot 51:sc= 1.28 USER MOD Single : A 556 CYS SG : rot 180:sc= -0.212 USER MOD Single : A 558 LYS NZ :NH3+ 126:sc= -0.151 (180deg=-0.591) USER MOD Single : A 560 MET CE :methyl 153:sc= -0.427 (180deg=-1.42!) USER MOD Single : A 561 LYS NZ :NH3+ -171:sc= 0.206 (180deg=0.173) USER MOD Single : A 562 GLN :FLIP amide:sc= 0 F(o=-2.3!,f=0) USER MOD Single : A 568 LYS NZ :NH3+ 179:sc= 1.29 (180deg=1.25) USER MOD Single : A 569 TYR OH : rot 165:sc= 0 USER MOD Single : A 571 SER OG : rot 180:sc= 0 USER MOD Single : A 573 ASN : amide:sc= 0.439 X(o=0.44,f=0) USER MOD Single : A 576 HIS : no HD1:sc=-0.000329 X(o=-0.00033,f=0) USER MOD Single : A 577 SER OG : rot 180:sc= 0 USER MOD Single : A 582 HIS : no HD1:sc= -0.359 K(o=-0.36,f=-9.1!) USER MOD Single : A 584 SER OG : rot 180:sc= 0 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 589 MET CE :methyl 163:sc= -0.0917 (180deg=-0.555) USER MOD Single : A 608 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 610 SER OG : rot 180:sc= -1.95! USER MOD Single : A 616 SER OG : rot 180:sc= 0 USER MOD Single : A 619 GLN : amide:sc= -0.423 X(o=-0.42,f=-0.18) USER MOD Single : A 622 THR OG1 : rot 69:sc= 1.01 USER MOD Single : A 624 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 516 9.323 -15.865 -10.148 1.00 0.00 N ATOM 2 CA ARG A 516 9.282 -16.112 -8.692 1.00 0.00 C ATOM 3 C ARG A 516 8.804 -14.863 -7.962 1.00 0.00 C ATOM 4 O ARG A 516 9.341 -13.772 -8.162 1.00 0.00 O ATOM 5 CB ARG A 516 10.672 -16.519 -8.185 1.00 0.00 C ATOM 6 CG ARG A 516 10.742 -16.764 -6.683 1.00 0.00 C ATOM 7 CD ARG A 516 9.869 -17.937 -6.261 1.00 0.00 C ATOM 8 NE ARG A 516 9.902 -18.160 -4.815 1.00 0.00 N ATOM 9 CZ ARG A 516 8.874 -18.635 -4.111 1.00 0.00 C ATOM 10 NH1 ARG A 516 7.740 -18.956 -4.720 1.00 0.00 N ATOM 11 NH2 ARG A 516 8.981 -18.796 -2.799 1.00 0.00 N ATOM 0 HA ARG A 516 8.584 -16.925 -8.494 1.00 0.00 H new ATOM 0 HB2 ARG A 516 10.985 -17.425 -8.704 1.00 0.00 H new ATOM 0 HB3 ARG A 516 11.385 -15.738 -8.448 1.00 0.00 H new ATOM 0 HG2 ARG A 516 11.775 -16.957 -6.394 1.00 0.00 H new ATOM 0 HG3 ARG A 516 10.425 -15.866 -6.153 1.00 0.00 H new ATOM 0 HD2 ARG A 516 8.841 -17.754 -6.575 1.00 0.00 H new ATOM 0 HD3 ARG A 516 10.203 -18.839 -6.774 1.00 0.00 H new ATOM 0 HE ARG A 516 10.763 -17.939 -4.316 1.00 0.00 H new ATOM 0 HH11 ARG A 516 7.653 -18.840 -5.730 1.00 0.00 H new ATOM 0 HH12 ARG A 516 6.955 -19.319 -4.179 1.00 0.00 H new ATOM 0 HH21 ARG A 516 9.852 -18.556 -2.325 1.00 0.00 H new ATOM 0 HH22 ARG A 516 8.192 -19.160 -2.264 1.00 0.00 H new ATOM 27 N ARG A 517 7.782 -15.020 -7.133 1.00 0.00 N ATOM 28 CA ARG A 517 7.283 -13.917 -6.330 1.00 0.00 C ATOM 29 C ARG A 517 8.132 -13.734 -5.084 1.00 0.00 C ATOM 30 O ARG A 517 8.754 -14.678 -4.593 1.00 0.00 O ATOM 31 CB ARG A 517 5.826 -14.141 -5.918 1.00 0.00 C ATOM 32 CG ARG A 517 4.825 -13.948 -7.042 1.00 0.00 C ATOM 33 CD ARG A 517 3.398 -14.042 -6.530 1.00 0.00 C ATOM 34 NE ARG A 517 2.418 -13.744 -7.572 1.00 0.00 N ATOM 35 CZ ARG A 517 1.134 -13.485 -7.330 1.00 0.00 C ATOM 36 NH1 ARG A 517 0.677 -13.480 -6.081 1.00 0.00 N ATOM 37 NH2 ARG A 517 0.308 -13.222 -8.334 1.00 0.00 N ATOM 0 H ARG A 517 7.284 -15.900 -7.000 1.00 0.00 H new ATOM 0 HA ARG A 517 7.340 -13.018 -6.944 1.00 0.00 H new ATOM 0 HB2 ARG A 517 5.723 -15.152 -5.524 1.00 0.00 H new ATOM 0 HB3 ARG A 517 5.580 -13.456 -5.106 1.00 0.00 H new ATOM 0 HG2 ARG A 517 4.983 -12.976 -7.510 1.00 0.00 H new ATOM 0 HG3 ARG A 517 4.988 -14.703 -7.811 1.00 0.00 H new ATOM 0 HD2 ARG A 517 3.219 -15.044 -6.141 1.00 0.00 H new ATOM 0 HD3 ARG A 517 3.265 -13.349 -5.699 1.00 0.00 H new ATOM 0 HE ARG A 517 2.736 -13.734 -8.541 1.00 0.00 H new ATOM 0 HH11 ARG A 517 1.310 -13.675 -5.305 1.00 0.00 H new ATOM 0 HH12 ARG A 517 -0.307 -13.281 -5.899 1.00 0.00 H new ATOM 0 HH21 ARG A 517 0.656 -13.218 -9.293 1.00 0.00 H new ATOM 0 HH22 ARG A 517 -0.675 -13.024 -8.147 1.00 0.00 H new ATOM 51 N ARG A 518 8.158 -12.514 -4.587 1.00 0.00 N ATOM 52 CA ARG A 518 8.828 -12.211 -3.341 1.00 0.00 C ATOM 53 C ARG A 518 7.782 -11.849 -2.301 1.00 0.00 C ATOM 54 O ARG A 518 6.988 -10.928 -2.496 1.00 0.00 O ATOM 55 CB ARG A 518 9.843 -11.077 -3.545 1.00 0.00 C ATOM 56 CG ARG A 518 10.562 -10.621 -2.279 1.00 0.00 C ATOM 57 CD ARG A 518 9.825 -9.478 -1.594 1.00 0.00 C ATOM 58 NE ARG A 518 9.664 -8.328 -2.484 1.00 0.00 N ATOM 59 CZ ARG A 518 9.031 -7.205 -2.152 1.00 0.00 C ATOM 60 NH1 ARG A 518 8.506 -7.061 -0.944 1.00 0.00 N ATOM 61 NH2 ARG A 518 8.929 -6.216 -3.029 1.00 0.00 N ATOM 0 H ARG A 518 7.718 -11.709 -5.033 1.00 0.00 H new ATOM 0 HA ARG A 518 9.384 -13.081 -2.991 1.00 0.00 H new ATOM 0 HB2 ARG A 518 10.588 -11.403 -4.271 1.00 0.00 H new ATOM 0 HB3 ARG A 518 9.327 -10.221 -3.980 1.00 0.00 H new ATOM 0 HG2 ARG A 518 10.653 -11.460 -1.590 1.00 0.00 H new ATOM 0 HG3 ARG A 518 11.574 -10.303 -2.530 1.00 0.00 H new ATOM 0 HD2 ARG A 518 8.845 -9.823 -1.264 1.00 0.00 H new ATOM 0 HD3 ARG A 518 10.373 -9.174 -0.702 1.00 0.00 H new ATOM 0 HE ARG A 518 10.063 -8.391 -3.421 1.00 0.00 H new ATOM 0 HH11 ARG A 518 8.585 -7.814 -0.260 1.00 0.00 H new ATOM 0 HH12 ARG A 518 8.023 -6.197 -0.698 1.00 0.00 H new ATOM 0 HH21 ARG A 518 9.336 -6.315 -3.959 1.00 0.00 H new ATOM 0 HH22 ARG A 518 8.444 -5.356 -2.774 1.00 0.00 H new ATOM 75 N ILE A 519 7.764 -12.593 -1.213 1.00 0.00 N ATOM 76 CA ILE A 519 6.762 -12.397 -0.187 1.00 0.00 C ATOM 77 C ILE A 519 7.334 -11.572 0.950 1.00 0.00 C ATOM 78 O ILE A 519 8.469 -11.782 1.378 1.00 0.00 O ATOM 79 CB ILE A 519 6.249 -13.734 0.372 1.00 0.00 C ATOM 80 CG1 ILE A 519 6.170 -14.782 -0.745 1.00 0.00 C ATOM 81 CG2 ILE A 519 4.886 -13.542 1.025 1.00 0.00 C ATOM 82 CD1 ILE A 519 5.603 -16.113 -0.299 1.00 0.00 C ATOM 0 H ILE A 519 8.432 -13.338 -1.018 1.00 0.00 H new ATOM 0 HA ILE A 519 5.925 -11.872 -0.647 1.00 0.00 H new ATOM 0 HB ILE A 519 6.948 -14.090 1.129 1.00 0.00 H new ATOM 0 HG12 ILE A 519 5.555 -14.390 -1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 519 7.169 -14.942 -1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 519 4.533 -14.496 1.417 1.00 0.00 H new ATOM 0 HG22 ILE A 519 4.971 -12.824 1.840 1.00 0.00 H new ATOM 0 HG23 ILE A 519 4.177 -13.169 0.285 1.00 0.00 H new ATOM 0 HD11 ILE A 519 5.580 -16.800 -1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 519 6.230 -16.529 0.490 1.00 0.00 H new ATOM 0 HD13 ILE A 519 4.591 -15.969 0.080 1.00 0.00 H new ATOM 94 N ALA A 520 6.546 -10.637 1.425 1.00 0.00 N ATOM 95 CA ALA A 520 6.958 -9.750 2.493 1.00 0.00 C ATOM 96 C ALA A 520 6.126 -10.001 3.739 1.00 0.00 C ATOM 97 O ALA A 520 4.983 -10.447 3.647 1.00 0.00 O ATOM 98 CB ALA A 520 6.835 -8.304 2.049 1.00 0.00 C ATOM 0 H ALA A 520 5.600 -10.468 1.083 1.00 0.00 H new ATOM 0 HA ALA A 520 8.002 -9.950 2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 520 7.147 -7.646 2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 520 7.470 -8.135 1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 520 5.799 -8.091 1.788 1.00 0.00 H new ATOM 104 N THR A 521 6.697 -9.721 4.895 1.00 0.00 N ATOM 105 CA THR A 521 5.990 -9.849 6.154 1.00 0.00 C ATOM 106 C THR A 521 5.556 -8.482 6.655 1.00 0.00 C ATOM 107 O THR A 521 6.259 -7.499 6.444 1.00 0.00 O ATOM 108 CB THR A 521 6.874 -10.540 7.208 1.00 0.00 C ATOM 109 OG1 THR A 521 8.259 -10.369 6.874 1.00 0.00 O ATOM 110 CG2 THR A 521 6.545 -12.021 7.306 1.00 0.00 C ATOM 0 H THR A 521 7.661 -9.400 4.987 1.00 0.00 H new ATOM 0 HA THR A 521 5.105 -10.464 5.988 1.00 0.00 H new ATOM 0 HB THR A 521 6.676 -10.079 8.176 1.00 0.00 H new ATOM 0 HG1 THR A 521 8.815 -10.810 7.550 1.00 0.00 H new ATOM 0 HG21 THR A 521 7.183 -12.487 8.057 1.00 0.00 H new ATOM 0 HG22 THR A 521 5.500 -12.144 7.591 1.00 0.00 H new ATOM 0 HG23 THR A 521 6.716 -12.496 6.340 1.00 0.00 H new ATOM 118 N PRO A 522 4.389 -8.397 7.313 1.00 0.00 N ATOM 119 CA PRO A 522 3.835 -7.125 7.776 1.00 0.00 C ATOM 120 C PRO A 522 4.824 -6.332 8.621 1.00 0.00 C ATOM 121 O PRO A 522 4.938 -5.117 8.476 1.00 0.00 O ATOM 122 CB PRO A 522 2.614 -7.529 8.619 1.00 0.00 C ATOM 123 CG PRO A 522 2.722 -9.005 8.813 1.00 0.00 C ATOM 124 CD PRO A 522 3.513 -9.527 7.649 1.00 0.00 C ATOM 0 HA PRO A 522 3.586 -6.473 6.939 1.00 0.00 H new ATOM 0 HB2 PRO A 522 2.611 -7.008 9.577 1.00 0.00 H new ATOM 0 HB3 PRO A 522 1.685 -7.269 8.111 1.00 0.00 H new ATOM 0 HG2 PRO A 522 3.218 -9.238 9.755 1.00 0.00 H new ATOM 0 HG3 PRO A 522 1.735 -9.465 8.850 1.00 0.00 H new ATOM 0 HD2 PRO A 522 4.085 -10.416 7.916 1.00 0.00 H new ATOM 0 HD3 PRO A 522 2.869 -9.801 6.813 1.00 0.00 H new ATOM 132 N GLU A 523 5.511 -7.024 9.520 1.00 0.00 N ATOM 133 CA GLU A 523 6.522 -6.393 10.360 1.00 0.00 C ATOM 134 C GLU A 523 7.589 -5.704 9.493 1.00 0.00 C ATOM 135 O GLU A 523 8.047 -4.608 9.810 1.00 0.00 O ATOM 136 CB GLU A 523 7.166 -7.419 11.298 1.00 0.00 C ATOM 137 CG GLU A 523 7.977 -8.491 10.591 1.00 0.00 C ATOM 138 CD GLU A 523 8.492 -9.541 11.545 1.00 0.00 C ATOM 139 OE1 GLU A 523 7.720 -10.459 11.894 1.00 0.00 O ATOM 140 OE2 GLU A 523 9.665 -9.449 11.957 1.00 0.00 O ATOM 0 H GLU A 523 5.387 -8.023 9.687 1.00 0.00 H new ATOM 0 HA GLU A 523 6.034 -5.634 10.972 1.00 0.00 H new ATOM 0 HB2 GLU A 523 7.813 -6.895 12.001 1.00 0.00 H new ATOM 0 HB3 GLU A 523 6.383 -7.900 11.884 1.00 0.00 H new ATOM 0 HG2 GLU A 523 7.360 -8.967 9.829 1.00 0.00 H new ATOM 0 HG3 GLU A 523 8.818 -8.027 10.076 1.00 0.00 H new ATOM 147 N GLU A 524 7.982 -6.356 8.404 1.00 0.00 N ATOM 148 CA GLU A 524 8.925 -5.782 7.454 1.00 0.00 C ATOM 149 C GLU A 524 8.282 -4.658 6.640 1.00 0.00 C ATOM 150 O GLU A 524 8.942 -3.697 6.271 1.00 0.00 O ATOM 151 CB GLU A 524 9.459 -6.864 6.521 1.00 0.00 C ATOM 152 CG GLU A 524 10.262 -7.935 7.236 1.00 0.00 C ATOM 153 CD GLU A 524 11.562 -7.418 7.819 1.00 0.00 C ATOM 154 OE1 GLU A 524 11.541 -6.853 8.929 1.00 0.00 O ATOM 155 OE2 GLU A 524 12.620 -7.594 7.174 1.00 0.00 O ATOM 0 H GLU A 524 7.658 -7.291 8.157 1.00 0.00 H new ATOM 0 HA GLU A 524 9.753 -5.357 8.021 1.00 0.00 H new ATOM 0 HB2 GLU A 524 8.622 -7.333 6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 524 10.085 -6.400 5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 524 9.656 -8.360 8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 524 10.480 -8.743 6.538 1.00 0.00 H new ATOM 162 N VAL A 525 6.991 -4.787 6.362 1.00 0.00 N ATOM 163 CA VAL A 525 6.271 -3.785 5.575 1.00 0.00 C ATOM 164 C VAL A 525 6.037 -2.506 6.387 1.00 0.00 C ATOM 165 O VAL A 525 5.961 -1.408 5.835 1.00 0.00 O ATOM 166 CB VAL A 525 4.918 -4.334 5.063 1.00 0.00 C ATOM 167 CG1 VAL A 525 4.165 -3.281 4.264 1.00 0.00 C ATOM 168 CG2 VAL A 525 5.126 -5.586 4.220 1.00 0.00 C ATOM 0 H VAL A 525 6.418 -5.574 6.668 1.00 0.00 H new ATOM 0 HA VAL A 525 6.896 -3.545 4.715 1.00 0.00 H new ATOM 0 HB VAL A 525 4.317 -4.596 5.934 1.00 0.00 H new ATOM 0 HG11 VAL A 525 3.218 -3.695 3.917 1.00 0.00 H new ATOM 0 HG12 VAL A 525 3.972 -2.414 4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 525 4.765 -2.978 3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 525 4.161 -5.954 3.871 1.00 0.00 H new ATOM 0 HG22 VAL A 525 5.755 -5.347 3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 525 5.611 -6.354 4.823 1.00 0.00 H new ATOM 178 N ARG A 526 5.907 -2.650 7.700 1.00 0.00 N ATOM 179 CA ARG A 526 5.783 -1.491 8.582 1.00 0.00 C ATOM 180 C ARG A 526 7.149 -0.899 8.899 1.00 0.00 C ATOM 181 O ARG A 526 7.242 0.230 9.370 1.00 0.00 O ATOM 182 CB ARG A 526 5.063 -1.849 9.886 1.00 0.00 C ATOM 183 CG ARG A 526 5.748 -2.934 10.690 1.00 0.00 C ATOM 184 CD ARG A 526 4.955 -3.299 11.931 1.00 0.00 C ATOM 185 NE ARG A 526 3.690 -3.963 11.614 1.00 0.00 N ATOM 186 CZ ARG A 526 2.525 -3.662 12.191 1.00 0.00 C ATOM 187 NH1 ARG A 526 2.437 -2.633 13.026 1.00 0.00 N ATOM 188 NH2 ARG A 526 1.442 -4.377 11.917 1.00 0.00 N ATOM 0 H ARG A 526 5.885 -3.551 8.178 1.00 0.00 H new ATOM 0 HA ARG A 526 5.187 -0.749 8.051 1.00 0.00 H new ATOM 0 HB2 ARG A 526 4.980 -0.953 10.501 1.00 0.00 H new ATOM 0 HB3 ARG A 526 4.048 -2.170 9.652 1.00 0.00 H new ATOM 0 HG2 ARG A 526 5.879 -3.820 10.068 1.00 0.00 H new ATOM 0 HG3 ARG A 526 6.744 -2.598 10.980 1.00 0.00 H new ATOM 0 HD2 ARG A 526 5.556 -3.953 12.563 1.00 0.00 H new ATOM 0 HD3 ARG A 526 4.753 -2.396 12.507 1.00 0.00 H new ATOM 0 HE ARG A 526 3.699 -4.700 10.909 1.00 0.00 H new ATOM 0 HH11 ARG A 526 3.262 -2.069 13.229 1.00 0.00 H new ATOM 0 HH12 ARG A 526 1.544 -2.407 13.465 1.00 0.00 H new ATOM 0 HH21 ARG A 526 1.499 -5.159 11.264 1.00 0.00 H new ATOM 0 HH22 ARG A 526 0.553 -4.145 12.359 1.00 0.00 H new ATOM 202 N LEU A 527 8.202 -1.674 8.654 1.00 0.00 N ATOM 203 CA LEU A 527 9.577 -1.227 8.872 1.00 0.00 C ATOM 204 C LEU A 527 9.834 0.152 8.238 1.00 0.00 C ATOM 205 O LEU A 527 10.276 1.067 8.930 1.00 0.00 O ATOM 206 CB LEU A 527 10.553 -2.275 8.306 1.00 0.00 C ATOM 207 CG LEU A 527 11.732 -2.675 9.201 1.00 0.00 C ATOM 208 CD1 LEU A 527 12.723 -1.535 9.332 1.00 0.00 C ATOM 209 CD2 LEU A 527 11.241 -3.124 10.569 1.00 0.00 C ATOM 0 H LEU A 527 8.128 -2.628 8.300 1.00 0.00 H new ATOM 0 HA LEU A 527 9.738 -1.122 9.945 1.00 0.00 H new ATOM 0 HB2 LEU A 527 9.985 -3.175 8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 527 10.953 -1.894 7.366 1.00 0.00 H new ATOM 0 HG LEU A 527 12.244 -3.514 8.731 1.00 0.00 H new ATOM 0 HD11 LEU A 527 13.550 -1.843 9.972 1.00 0.00 H new ATOM 0 HD12 LEU A 527 13.106 -1.270 8.346 1.00 0.00 H new ATOM 0 HD13 LEU A 527 12.227 -0.670 9.773 1.00 0.00 H new ATOM 0 HD21 LEU A 527 12.094 -3.403 11.188 1.00 0.00 H new ATOM 0 HD22 LEU A 527 10.698 -2.308 11.046 1.00 0.00 H new ATOM 0 HD23 LEU A 527 10.579 -3.983 10.454 1.00 0.00 H new ATOM 221 N PRO A 528 9.553 0.338 6.926 1.00 0.00 N ATOM 222 CA PRO A 528 9.748 1.629 6.256 1.00 0.00 C ATOM 223 C PRO A 528 8.914 2.743 6.877 1.00 0.00 C ATOM 224 O PRO A 528 9.324 3.901 6.879 1.00 0.00 O ATOM 225 CB PRO A 528 9.309 1.371 4.808 1.00 0.00 C ATOM 226 CG PRO A 528 8.500 0.125 4.858 1.00 0.00 C ATOM 227 CD PRO A 528 9.057 -0.682 5.988 1.00 0.00 C ATOM 0 HA PRO A 528 10.781 1.968 6.341 1.00 0.00 H new ATOM 0 HB2 PRO A 528 8.723 2.205 4.420 1.00 0.00 H new ATOM 0 HB3 PRO A 528 10.171 1.254 4.151 1.00 0.00 H new ATOM 0 HG2 PRO A 528 7.446 0.350 5.021 1.00 0.00 H new ATOM 0 HG3 PRO A 528 8.567 -0.422 3.918 1.00 0.00 H new ATOM 0 HD2 PRO A 528 8.294 -1.312 6.446 1.00 0.00 H new ATOM 0 HD3 PRO A 528 9.857 -1.343 5.654 1.00 0.00 H new ATOM 235 N LEU A 529 7.761 2.383 7.429 1.00 0.00 N ATOM 236 CA LEU A 529 6.868 3.357 8.051 1.00 0.00 C ATOM 237 C LEU A 529 7.525 3.967 9.283 1.00 0.00 C ATOM 238 O LEU A 529 7.161 5.057 9.727 1.00 0.00 O ATOM 239 CB LEU A 529 5.543 2.695 8.445 1.00 0.00 C ATOM 240 CG LEU A 529 4.858 1.896 7.334 1.00 0.00 C ATOM 241 CD1 LEU A 529 3.512 1.364 7.805 1.00 0.00 C ATOM 242 CD2 LEU A 529 4.690 2.750 6.092 1.00 0.00 C ATOM 0 H LEU A 529 7.421 1.422 7.459 1.00 0.00 H new ATOM 0 HA LEU A 529 6.667 4.147 7.327 1.00 0.00 H new ATOM 0 HB2 LEU A 529 5.724 2.030 9.290 1.00 0.00 H new ATOM 0 HB3 LEU A 529 4.857 3.469 8.790 1.00 0.00 H new ATOM 0 HG LEU A 529 5.491 1.045 7.084 1.00 0.00 H new ATOM 0 HD11 LEU A 529 3.042 0.799 7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 529 3.659 0.713 8.667 1.00 0.00 H new ATOM 0 HD13 LEU A 529 2.869 2.198 8.086 1.00 0.00 H new ATOM 0 HD21 LEU A 529 4.201 2.166 5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 529 4.079 3.621 6.329 1.00 0.00 H new ATOM 0 HD23 LEU A 529 5.668 3.078 5.741 1.00 0.00 H new ATOM 254 N GLN A 530 8.507 3.256 9.822 1.00 0.00 N ATOM 255 CA GLN A 530 9.227 3.710 10.998 1.00 0.00 C ATOM 256 C GLN A 530 10.439 4.540 10.586 1.00 0.00 C ATOM 257 O GLN A 530 11.124 5.118 11.430 1.00 0.00 O ATOM 258 CB GLN A 530 9.686 2.520 11.847 1.00 0.00 C ATOM 259 CG GLN A 530 8.721 1.343 11.838 1.00 0.00 C ATOM 260 CD GLN A 530 9.016 0.344 12.935 1.00 0.00 C ATOM 261 OE1 GLN A 530 9.874 -0.616 12.644 1.00 0.00 O flip ATOM 262 NE2 GLN A 530 8.478 0.440 14.038 1.00 0.00 N flip ATOM 0 H GLN A 530 8.822 2.357 9.458 1.00 0.00 H new ATOM 0 HA GLN A 530 8.552 4.326 11.592 1.00 0.00 H new ATOM 0 HB2 GLN A 530 10.657 2.183 11.486 1.00 0.00 H new ATOM 0 HB3 GLN A 530 9.826 2.853 12.875 1.00 0.00 H new ATOM 0 HG2 GLN A 530 7.702 1.712 11.952 1.00 0.00 H new ATOM 0 HG3 GLN A 530 8.773 0.842 10.871 1.00 0.00 H new ATOM 0 HE21 GLN A 530 7.820 1.198 14.220 1.00 0.00 H new ATOM 0 HE22 GLN A 530 8.690 -0.239 14.770 1.00 0.00 H new ATOM 271 N HIS A 531 10.710 4.581 9.286 1.00 0.00 N ATOM 272 CA HIS A 531 11.872 5.293 8.767 1.00 0.00 C ATOM 273 C HIS A 531 11.471 6.263 7.664 1.00 0.00 C ATOM 274 O HIS A 531 11.972 6.182 6.540 1.00 0.00 O ATOM 275 CB HIS A 531 12.918 4.314 8.223 1.00 0.00 C ATOM 276 CG HIS A 531 13.436 3.346 9.242 1.00 0.00 C ATOM 277 ND1 HIS A 531 13.096 2.053 9.448 1.00 0.00 N flip ATOM 278 CD2 HIS A 531 14.393 3.710 10.156 1.00 0.00 C flip ATOM 279 CE1 HIS A 531 13.847 1.607 10.505 1.00 0.00 C flip ATOM 280 NE2 HIS A 531 14.611 2.636 10.896 1.00 0.00 N flip ATOM 0 H HIS A 531 10.140 4.129 8.571 1.00 0.00 H new ATOM 0 HA HIS A 531 12.304 5.854 9.595 1.00 0.00 H new ATOM 0 HB2 HIS A 531 12.481 3.755 7.395 1.00 0.00 H new ATOM 0 HB3 HIS A 531 13.756 4.882 7.818 1.00 0.00 H new ATOM 0 HD1 HIS A 531 12.412 1.513 8.918 1.00 0.00 H new ATOM 0 HD2 HIS A 531 14.870 4.674 10.251 1.00 0.00 H new ATOM 0 HE1 HIS A 531 13.827 0.618 10.938 1.00 0.00 H new ATOM 288 N GLY A 532 10.561 7.171 7.979 1.00 0.00 N ATOM 289 CA GLY A 532 10.189 8.198 7.028 1.00 0.00 C ATOM 290 C GLY A 532 9.115 7.769 6.043 1.00 0.00 C ATOM 291 O GLY A 532 8.151 8.501 5.821 1.00 0.00 O ATOM 0 H GLY A 532 10.074 7.216 8.874 1.00 0.00 H new ATOM 0 HA2 GLY A 532 9.838 9.074 7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 532 11.076 8.503 6.473 1.00 0.00 H new ATOM 295 N TRP A 533 9.285 6.595 5.443 1.00 0.00 N ATOM 296 CA TRP A 533 8.367 6.110 4.413 1.00 0.00 C ATOM 297 C TRP A 533 6.941 5.998 4.932 1.00 0.00 C ATOM 298 O TRP A 533 6.710 5.864 6.134 1.00 0.00 O ATOM 299 CB TRP A 533 8.807 4.739 3.907 1.00 0.00 C ATOM 300 CG TRP A 533 10.114 4.743 3.186 1.00 0.00 C ATOM 301 CD1 TRP A 533 11.357 4.755 3.744 1.00 0.00 C ATOM 302 CD2 TRP A 533 10.305 4.710 1.771 1.00 0.00 C ATOM 303 NE1 TRP A 533 12.312 4.761 2.760 1.00 0.00 N ATOM 304 CE2 TRP A 533 11.692 4.724 1.539 1.00 0.00 C ATOM 305 CE3 TRP A 533 9.437 4.676 0.676 1.00 0.00 C ATOM 306 CZ2 TRP A 533 12.231 4.703 0.256 1.00 0.00 C ATOM 307 CZ3 TRP A 533 9.973 4.653 -0.596 1.00 0.00 C ATOM 308 CH2 TRP A 533 11.359 4.666 -0.797 1.00 0.00 C ATOM 0 H TRP A 533 10.053 5.958 5.652 1.00 0.00 H new ATOM 0 HA TRP A 533 8.391 6.838 3.602 1.00 0.00 H new ATOM 0 HB2 TRP A 533 8.874 4.056 4.754 1.00 0.00 H new ATOM 0 HB3 TRP A 533 8.039 4.346 3.241 1.00 0.00 H new ATOM 0 HD1 TRP A 533 11.560 4.759 4.805 1.00 0.00 H new ATOM 0 HE1 TRP A 533 13.320 4.789 2.912 1.00 0.00 H new ATOM 0 HE3 TRP A 533 8.367 4.668 0.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 13.299 4.715 0.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 9.313 4.625 -1.450 1.00 0.00 H new ATOM 0 HH2 TRP A 533 11.747 4.646 -1.805 1.00 0.00 H new ATOM 319 N ARG A 534 5.988 6.046 4.016 1.00 0.00 N ATOM 320 CA ARG A 534 4.590 5.825 4.339 1.00 0.00 C ATOM 321 C ARG A 534 4.007 4.826 3.354 1.00 0.00 C ATOM 322 O ARG A 534 4.567 4.619 2.274 1.00 0.00 O ATOM 323 CB ARG A 534 3.795 7.134 4.278 1.00 0.00 C ATOM 324 CG ARG A 534 3.984 8.030 5.488 1.00 0.00 C ATOM 325 CD ARG A 534 3.065 9.239 5.426 1.00 0.00 C ATOM 326 NE ARG A 534 3.168 10.063 6.627 1.00 0.00 N ATOM 327 CZ ARG A 534 2.330 11.055 6.926 1.00 0.00 C ATOM 328 NH1 ARG A 534 1.319 11.348 6.114 1.00 0.00 N ATOM 329 NH2 ARG A 534 2.504 11.752 8.042 1.00 0.00 N ATOM 0 H ARG A 534 6.162 6.239 3.030 1.00 0.00 H new ATOM 0 HA ARG A 534 4.522 5.436 5.355 1.00 0.00 H new ATOM 0 HB2 ARG A 534 4.088 7.683 3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 534 2.736 6.899 4.175 1.00 0.00 H new ATOM 0 HG2 ARG A 534 3.784 7.464 6.398 1.00 0.00 H new ATOM 0 HG3 ARG A 534 5.021 8.361 5.540 1.00 0.00 H new ATOM 0 HD2 ARG A 534 3.314 9.840 4.551 1.00 0.00 H new ATOM 0 HD3 ARG A 534 2.035 8.906 5.301 1.00 0.00 H new ATOM 0 HE ARG A 534 3.929 9.867 7.278 1.00 0.00 H new ATOM 0 HH11 ARG A 534 1.182 10.812 5.257 1.00 0.00 H new ATOM 0 HH12 ARG A 534 0.681 12.108 6.348 1.00 0.00 H new ATOM 0 HH21 ARG A 534 3.277 11.528 8.668 1.00 0.00 H new ATOM 0 HH22 ARG A 534 1.864 12.512 8.274 1.00 0.00 H new ATOM 343 N ARG A 535 2.889 4.215 3.710 1.00 0.00 N ATOM 344 CA ARG A 535 2.250 3.287 2.797 1.00 0.00 C ATOM 345 C ARG A 535 0.742 3.345 2.951 1.00 0.00 C ATOM 346 O ARG A 535 0.197 3.033 4.012 1.00 0.00 O ATOM 347 CB ARG A 535 2.757 1.874 3.083 1.00 0.00 C ATOM 348 CG ARG A 535 2.377 0.852 2.031 1.00 0.00 C ATOM 349 CD ARG A 535 1.466 -0.219 2.594 1.00 0.00 C ATOM 350 NE ARG A 535 1.536 -1.454 1.813 1.00 0.00 N ATOM 351 CZ ARG A 535 0.680 -2.466 1.929 1.00 0.00 C ATOM 352 NH1 ARG A 535 -0.315 -2.401 2.802 1.00 0.00 N ATOM 353 NH2 ARG A 535 0.823 -3.537 1.160 1.00 0.00 N ATOM 0 H ARG A 535 2.415 4.341 4.604 1.00 0.00 H new ATOM 0 HA ARG A 535 2.498 3.562 1.772 1.00 0.00 H new ATOM 0 HB2 ARG A 535 3.843 1.901 3.171 1.00 0.00 H new ATOM 0 HB3 ARG A 535 2.367 1.548 4.047 1.00 0.00 H new ATOM 0 HG2 ARG A 535 1.880 1.353 1.200 1.00 0.00 H new ATOM 0 HG3 ARG A 535 3.279 0.389 1.631 1.00 0.00 H new ATOM 0 HD2 ARG A 535 1.743 -0.426 3.628 1.00 0.00 H new ATOM 0 HD3 ARG A 535 0.439 0.146 2.606 1.00 0.00 H new ATOM 0 HE ARG A 535 2.292 -1.545 1.134 1.00 0.00 H new ATOM 0 HH11 ARG A 535 -0.426 -1.573 3.388 1.00 0.00 H new ATOM 0 HH12 ARG A 535 -0.969 -3.179 2.888 1.00 0.00 H new ATOM 0 HH21 ARG A 535 1.586 -3.582 0.484 1.00 0.00 H new ATOM 0 HH22 ARG A 535 0.170 -4.316 1.244 1.00 0.00 H new ATOM 367 N GLU A 536 0.077 3.719 1.879 1.00 0.00 N ATOM 368 CA GLU A 536 -1.359 3.892 1.890 1.00 0.00 C ATOM 369 C GLU A 536 -1.998 2.913 0.921 1.00 0.00 C ATOM 370 O GLU A 536 -1.455 2.659 -0.147 1.00 0.00 O ATOM 371 CB GLU A 536 -1.712 5.323 1.483 1.00 0.00 C ATOM 372 CG GLU A 536 -1.229 6.368 2.470 1.00 0.00 C ATOM 373 CD GLU A 536 -1.545 7.784 2.036 1.00 0.00 C ATOM 374 OE1 GLU A 536 -1.889 7.995 0.850 1.00 0.00 O ATOM 375 OE2 GLU A 536 -1.447 8.697 2.881 1.00 0.00 O ATOM 0 H GLU A 536 0.515 3.911 0.978 1.00 0.00 H new ATOM 0 HA GLU A 536 -1.735 3.703 2.895 1.00 0.00 H new ATOM 0 HB2 GLU A 536 -1.280 5.531 0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 536 -2.794 5.406 1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 536 -1.687 6.181 3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 536 -0.152 6.266 2.600 1.00 0.00 H new ATOM 382 N VAL A 537 -3.132 2.350 1.289 1.00 0.00 N ATOM 383 CA VAL A 537 -3.820 1.419 0.412 1.00 0.00 C ATOM 384 C VAL A 537 -5.187 1.960 0.040 1.00 0.00 C ATOM 385 O VAL A 537 -6.006 2.271 0.904 1.00 0.00 O ATOM 386 CB VAL A 537 -3.976 0.022 1.052 1.00 0.00 C ATOM 387 CG1 VAL A 537 -4.707 -0.928 0.113 1.00 0.00 C ATOM 388 CG2 VAL A 537 -2.617 -0.545 1.425 1.00 0.00 C ATOM 0 H VAL A 537 -3.595 2.518 2.182 1.00 0.00 H new ATOM 0 HA VAL A 537 -3.208 1.311 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 537 -4.571 0.129 1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 537 -4.804 -1.905 0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 537 -5.698 -0.531 -0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 537 -4.143 -1.029 -0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 537 -2.745 -1.530 1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 537 -2.001 -0.632 0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 537 -2.129 0.119 2.138 1.00 0.00 H new ATOM 398 N ARG A 538 -5.411 2.079 -1.248 1.00 0.00 N ATOM 399 CA ARG A 538 -6.654 2.613 -1.761 1.00 0.00 C ATOM 400 C ARG A 538 -7.505 1.480 -2.313 1.00 0.00 C ATOM 401 O ARG A 538 -7.091 0.783 -3.240 1.00 0.00 O ATOM 402 CB ARG A 538 -6.364 3.641 -2.856 1.00 0.00 C ATOM 403 CG ARG A 538 -5.246 4.605 -2.495 1.00 0.00 C ATOM 404 CD ARG A 538 -4.882 5.503 -3.664 1.00 0.00 C ATOM 405 NE ARG A 538 -5.846 6.584 -3.858 1.00 0.00 N ATOM 406 CZ ARG A 538 -6.345 6.938 -5.040 1.00 0.00 C ATOM 407 NH1 ARG A 538 -6.125 6.191 -6.118 1.00 0.00 N ATOM 408 NH2 ARG A 538 -7.103 8.022 -5.134 1.00 0.00 N ATOM 0 H ARG A 538 -4.741 1.810 -1.968 1.00 0.00 H new ATOM 0 HA ARG A 538 -7.198 3.105 -0.955 1.00 0.00 H new ATOM 0 HB2 ARG A 538 -6.100 3.118 -3.775 1.00 0.00 H new ATOM 0 HB3 ARG A 538 -7.272 4.209 -3.061 1.00 0.00 H new ATOM 0 HG2 ARG A 538 -5.553 5.217 -1.647 1.00 0.00 H new ATOM 0 HG3 ARG A 538 -4.367 4.042 -2.181 1.00 0.00 H new ATOM 0 HD2 ARG A 538 -3.892 5.928 -3.497 1.00 0.00 H new ATOM 0 HD3 ARG A 538 -4.823 4.905 -4.573 1.00 0.00 H new ATOM 0 HE ARG A 538 -6.156 7.100 -3.035 1.00 0.00 H new ATOM 0 HH11 ARG A 538 -5.570 5.339 -6.043 1.00 0.00 H new ATOM 0 HH12 ARG A 538 -6.512 6.470 -7.020 1.00 0.00 H new ATOM 0 HH21 ARG A 538 -7.301 8.580 -4.303 1.00 0.00 H new ATOM 0 HH22 ARG A 538 -7.488 8.298 -6.037 1.00 0.00 H new ATOM 422 N ILE A 539 -8.683 1.283 -1.743 1.00 0.00 N ATOM 423 CA ILE A 539 -9.573 0.244 -2.221 1.00 0.00 C ATOM 424 C ILE A 539 -10.785 0.863 -2.907 1.00 0.00 C ATOM 425 O ILE A 539 -11.512 1.668 -2.319 1.00 0.00 O ATOM 426 CB ILE A 539 -10.047 -0.655 -1.071 1.00 0.00 C ATOM 427 CG1 ILE A 539 -8.845 -1.177 -0.279 1.00 0.00 C ATOM 428 CG2 ILE A 539 -10.872 -1.814 -1.614 1.00 0.00 C ATOM 429 CD1 ILE A 539 -9.221 -2.032 0.909 1.00 0.00 C ATOM 0 H ILE A 539 -9.040 1.825 -0.956 1.00 0.00 H new ATOM 0 HA ILE A 539 -9.018 -0.365 -2.934 1.00 0.00 H new ATOM 0 HB ILE A 539 -10.675 -0.068 -0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 539 -8.207 -1.758 -0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 539 -8.255 -0.329 0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 539 -11.202 -2.444 -0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 539 -11.742 -1.425 -2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 539 -10.264 -2.404 -2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 539 -8.317 -2.364 1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 539 -9.833 -1.449 1.598 1.00 0.00 H new ATOM 0 HD13 ILE A 539 -9.785 -2.900 0.568 1.00 0.00 H new ATOM 441 N LYS A 540 -10.988 0.478 -4.149 1.00 0.00 N ATOM 442 CA LYS A 540 -12.070 1.018 -4.955 1.00 0.00 C ATOM 443 C LYS A 540 -12.916 -0.087 -5.568 1.00 0.00 C ATOM 444 O LYS A 540 -12.406 -1.150 -5.931 1.00 0.00 O ATOM 445 CB LYS A 540 -11.489 1.916 -6.050 1.00 0.00 C ATOM 446 CG LYS A 540 -10.469 1.209 -6.932 1.00 0.00 C ATOM 447 CD LYS A 540 -9.710 2.181 -7.821 1.00 0.00 C ATOM 448 CE LYS A 540 -10.642 2.964 -8.729 1.00 0.00 C ATOM 449 NZ LYS A 540 -9.892 3.857 -9.649 1.00 0.00 N ATOM 0 H LYS A 540 -10.413 -0.214 -4.629 1.00 0.00 H new ATOM 0 HA LYS A 540 -12.722 1.605 -4.308 1.00 0.00 H new ATOM 0 HB2 LYS A 540 -12.302 2.289 -6.674 1.00 0.00 H new ATOM 0 HB3 LYS A 540 -11.019 2.784 -5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 540 -9.763 0.665 -6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 540 -10.977 0.471 -7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 540 -9.142 2.873 -7.200 1.00 0.00 H new ATOM 0 HD3 LYS A 540 -8.989 1.632 -8.427 1.00 0.00 H new ATOM 0 HE2 LYS A 540 -11.250 2.271 -9.310 1.00 0.00 H new ATOM 0 HE3 LYS A 540 -11.326 3.558 -8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 540 -10.562 4.375 -10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 540 -9.331 4.534 -9.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 540 -9.258 3.288 -10.245 1.00 0.00 H new ATOM 463 N LYS A 541 -14.215 0.162 -5.668 1.00 0.00 N ATOM 464 CA LYS A 541 -15.089 -0.772 -6.343 1.00 0.00 C ATOM 465 C LYS A 541 -14.808 -0.713 -7.836 1.00 0.00 C ATOM 466 O LYS A 541 -14.870 0.357 -8.448 1.00 0.00 O ATOM 467 CB LYS A 541 -16.557 -0.431 -6.068 1.00 0.00 C ATOM 468 CG LYS A 541 -17.549 -1.269 -6.862 1.00 0.00 C ATOM 469 CD LYS A 541 -17.486 -2.738 -6.483 1.00 0.00 C ATOM 470 CE LYS A 541 -18.579 -3.542 -7.175 1.00 0.00 C ATOM 471 NZ LYS A 541 -18.545 -3.398 -8.657 1.00 0.00 N ATOM 0 H LYS A 541 -14.676 0.992 -5.295 1.00 0.00 H new ATOM 0 HA LYS A 541 -14.901 -1.779 -5.970 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -16.756 -0.562 -5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 541 -16.723 0.622 -6.296 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -18.558 -0.894 -6.692 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -17.344 -1.160 -7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 541 -16.510 -3.142 -6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 541 -17.587 -2.840 -5.403 1.00 0.00 H new ATOM 0 HE2 LYS A 541 -18.471 -4.595 -6.913 1.00 0.00 H new ATOM 0 HE3 LYS A 541 -19.552 -3.219 -6.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 -18.773 -4.311 -9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 -19.243 -2.686 -8.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 -17.595 -3.096 -8.955 1.00 0.00 H new ATOM 485 N GLY A 542 -14.482 -1.851 -8.408 1.00 0.00 N ATOM 486 CA GLY A 542 -14.137 -1.898 -9.808 1.00 0.00 C ATOM 487 C GLY A 542 -15.336 -2.210 -10.667 1.00 0.00 C ATOM 488 O GLY A 542 -16.379 -2.629 -10.157 1.00 0.00 O ATOM 0 H GLY A 542 -14.449 -2.750 -7.927 1.00 0.00 H new ATOM 0 HA2 GLY A 542 -13.712 -0.941 -10.110 1.00 0.00 H new ATOM 0 HA3 GLY A 542 -13.368 -2.654 -9.968 1.00 0.00 H new ATOM 492 N SER A 543 -15.191 -2.013 -11.967 1.00 0.00 N ATOM 493 CA SER A 543 -16.277 -2.251 -12.904 1.00 0.00 C ATOM 494 C SER A 543 -16.573 -3.744 -13.018 1.00 0.00 C ATOM 495 O SER A 543 -17.682 -4.146 -13.367 1.00 0.00 O ATOM 496 CB SER A 543 -15.908 -1.676 -14.272 1.00 0.00 C ATOM 497 OG SER A 543 -15.462 -0.331 -14.150 1.00 0.00 O ATOM 0 H SER A 543 -14.327 -1.687 -12.399 1.00 0.00 H new ATOM 0 HA SER A 543 -17.175 -1.755 -12.537 1.00 0.00 H new ATOM 0 HB2 SER A 543 -15.126 -2.283 -14.728 1.00 0.00 H new ATOM 0 HB3 SER A 543 -16.772 -1.719 -14.935 1.00 0.00 H new ATOM 0 HG SER A 543 -15.229 0.018 -15.036 1.00 0.00 H new ATOM 503 N HIS A 544 -15.574 -4.562 -12.719 1.00 0.00 N ATOM 504 CA HIS A 544 -15.723 -6.006 -12.808 1.00 0.00 C ATOM 505 C HIS A 544 -15.753 -6.637 -11.421 1.00 0.00 C ATOM 506 O HIS A 544 -16.630 -7.446 -11.117 1.00 0.00 O ATOM 507 CB HIS A 544 -14.593 -6.611 -13.645 1.00 0.00 C ATOM 508 CG HIS A 544 -14.503 -6.033 -15.025 1.00 0.00 C ATOM 509 ND1 HIS A 544 -13.304 -5.621 -15.559 1.00 0.00 N ATOM 510 CD2 HIS A 544 -15.488 -5.811 -15.926 1.00 0.00 C ATOM 511 CE1 HIS A 544 -13.589 -5.161 -16.767 1.00 0.00 C ATOM 512 NE2 HIS A 544 -14.900 -5.255 -17.031 1.00 0.00 N ATOM 0 H HIS A 544 -14.652 -4.250 -12.413 1.00 0.00 H new ATOM 0 HA HIS A 544 -16.673 -6.218 -13.299 1.00 0.00 H new ATOM 0 HB2 HIS A 544 -13.645 -6.454 -13.130 1.00 0.00 H new ATOM 0 HB3 HIS A 544 -14.741 -7.688 -13.719 1.00 0.00 H new ATOM 0 HD2 HIS A 544 -16.538 -6.030 -15.798 1.00 0.00 H new ATOM 0 HE1 HIS A 544 -12.858 -4.760 -17.453 1.00 0.00 H new ATOM 0 HE2 HIS A 544 -15.369 -4.968 -17.890 1.00 0.00 H new ATOM 520 N ARG A 545 -14.801 -6.256 -10.575 1.00 0.00 N ATOM 521 CA ARG A 545 -14.702 -6.808 -9.225 1.00 0.00 C ATOM 522 C ARG A 545 -14.150 -5.781 -8.242 1.00 0.00 C ATOM 523 O ARG A 545 -13.975 -4.612 -8.569 1.00 0.00 O ATOM 524 CB ARG A 545 -13.805 -8.055 -9.210 1.00 0.00 C ATOM 525 CG ARG A 545 -14.504 -9.336 -9.630 1.00 0.00 C ATOM 526 CD ARG A 545 -13.702 -10.559 -9.213 1.00 0.00 C ATOM 527 NE ARG A 545 -13.534 -10.631 -7.760 1.00 0.00 N ATOM 528 CZ ARG A 545 -12.722 -11.486 -7.136 1.00 0.00 C ATOM 529 NH1 ARG A 545 -12.009 -12.366 -7.838 1.00 0.00 N ATOM 530 NH2 ARG A 545 -12.628 -11.459 -5.810 1.00 0.00 N ATOM 0 H ARG A 545 -14.085 -5.566 -10.800 1.00 0.00 H new ATOM 0 HA ARG A 545 -15.710 -7.083 -8.916 1.00 0.00 H new ATOM 0 HB2 ARG A 545 -12.956 -7.885 -9.872 1.00 0.00 H new ATOM 0 HB3 ARG A 545 -13.404 -8.187 -8.205 1.00 0.00 H new ATOM 0 HG2 ARG A 545 -15.496 -9.377 -9.180 1.00 0.00 H new ATOM 0 HG3 ARG A 545 -14.644 -9.340 -10.711 1.00 0.00 H new ATOM 0 HD2 ARG A 545 -14.204 -11.460 -9.566 1.00 0.00 H new ATOM 0 HD3 ARG A 545 -12.723 -10.532 -9.691 1.00 0.00 H new ATOM 0 HE ARG A 545 -14.074 -9.984 -7.186 1.00 0.00 H new ATOM 0 HH11 ARG A 545 -12.083 -12.387 -8.855 1.00 0.00 H new ATOM 0 HH12 ARG A 545 -11.389 -13.019 -7.358 1.00 0.00 H new ATOM 0 HH21 ARG A 545 -13.176 -10.786 -5.273 1.00 0.00 H new ATOM 0 HH22 ARG A 545 -12.008 -12.111 -5.329 1.00 0.00 H new ATOM 544 N TRP A 546 -13.877 -6.250 -7.038 1.00 0.00 N ATOM 545 CA TRP A 546 -13.279 -5.399 -6.023 1.00 0.00 C ATOM 546 C TRP A 546 -11.768 -5.398 -6.176 1.00 0.00 C ATOM 547 O TRP A 546 -11.137 -6.455 -6.214 1.00 0.00 O ATOM 548 CB TRP A 546 -13.679 -5.840 -4.618 1.00 0.00 C ATOM 549 CG TRP A 546 -15.001 -5.287 -4.197 1.00 0.00 C ATOM 550 CD1 TRP A 546 -16.226 -5.842 -4.403 1.00 0.00 C ATOM 551 CD2 TRP A 546 -15.225 -4.054 -3.505 1.00 0.00 C ATOM 552 NE1 TRP A 546 -17.204 -5.030 -3.883 1.00 0.00 N ATOM 553 CE2 TRP A 546 -16.613 -3.927 -3.323 1.00 0.00 C ATOM 554 CE3 TRP A 546 -14.385 -3.048 -3.019 1.00 0.00 C ATOM 555 CZ2 TRP A 546 -17.181 -2.831 -2.680 1.00 0.00 C ATOM 556 CZ3 TRP A 546 -14.950 -1.961 -2.379 1.00 0.00 C ATOM 557 CH2 TRP A 546 -16.336 -1.860 -2.214 1.00 0.00 C ATOM 0 H TRP A 546 -14.058 -7.208 -6.739 1.00 0.00 H new ATOM 0 HA TRP A 546 -13.652 -4.385 -6.164 1.00 0.00 H new ATOM 0 HB2 TRP A 546 -13.716 -6.929 -4.580 1.00 0.00 H new ATOM 0 HB3 TRP A 546 -12.914 -5.522 -3.910 1.00 0.00 H new ATOM 0 HD1 TRP A 546 -16.403 -6.783 -4.902 1.00 0.00 H new ATOM 0 HE1 TRP A 546 -18.206 -5.217 -3.909 1.00 0.00 H new ATOM 0 HE3 TRP A 546 -13.314 -3.119 -3.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 546 -18.250 -2.750 -2.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 546 -14.311 -1.177 -2.000 1.00 0.00 H new ATOM 0 HH2 TRP A 546 -16.747 -0.999 -1.709 1.00 0.00 H new ATOM 568 N GLN A 547 -11.196 -4.211 -6.299 1.00 0.00 N ATOM 569 CA GLN A 547 -9.759 -4.080 -6.465 1.00 0.00 C ATOM 570 C GLN A 547 -9.159 -3.124 -5.444 1.00 0.00 C ATOM 571 O GLN A 547 -9.851 -2.282 -4.869 1.00 0.00 O ATOM 572 CB GLN A 547 -9.429 -3.606 -7.883 1.00 0.00 C ATOM 573 CG GLN A 547 -10.089 -2.289 -8.252 1.00 0.00 C ATOM 574 CD GLN A 547 -9.778 -1.853 -9.670 1.00 0.00 C ATOM 575 OE1 GLN A 547 -10.495 -2.198 -10.610 1.00 0.00 O ATOM 576 NE2 GLN A 547 -8.708 -1.093 -9.835 1.00 0.00 N ATOM 0 H GLN A 547 -11.704 -3.327 -6.287 1.00 0.00 H new ATOM 0 HA GLN A 547 -9.319 -5.064 -6.301 1.00 0.00 H new ATOM 0 HB2 GLN A 547 -8.348 -3.501 -7.980 1.00 0.00 H new ATOM 0 HB3 GLN A 547 -9.740 -4.371 -8.595 1.00 0.00 H new ATOM 0 HG2 GLN A 547 -11.169 -2.383 -8.134 1.00 0.00 H new ATOM 0 HG3 GLN A 547 -9.759 -1.516 -7.558 1.00 0.00 H new ATOM 0 HE21 GLN A 547 -8.140 -0.830 -9.029 1.00 0.00 H new ATOM 0 HE22 GLN A 547 -8.450 -0.770 -10.768 1.00 0.00 H new ATOM 585 N GLY A 548 -7.863 -3.261 -5.247 1.00 0.00 N ATOM 586 CA GLY A 548 -7.146 -2.417 -4.323 1.00 0.00 C ATOM 587 C GLY A 548 -5.762 -2.102 -4.833 1.00 0.00 C ATOM 588 O GLY A 548 -5.182 -2.886 -5.590 1.00 0.00 O ATOM 0 H GLY A 548 -7.285 -3.955 -5.720 1.00 0.00 H new ATOM 0 HA2 GLY A 548 -7.699 -1.491 -4.168 1.00 0.00 H new ATOM 0 HA3 GLY A 548 -7.076 -2.912 -3.354 1.00 0.00 H new ATOM 592 N GLU A 549 -5.232 -0.959 -4.438 1.00 0.00 N ATOM 593 CA GLU A 549 -3.898 -0.569 -4.850 1.00 0.00 C ATOM 594 C GLU A 549 -3.123 -0.015 -3.662 1.00 0.00 C ATOM 595 O GLU A 549 -3.683 0.622 -2.770 1.00 0.00 O ATOM 596 CB GLU A 549 -3.951 0.470 -5.974 1.00 0.00 C ATOM 597 CG GLU A 549 -4.327 1.853 -5.488 1.00 0.00 C ATOM 598 CD GLU A 549 -4.561 2.839 -6.613 1.00 0.00 C ATOM 599 OE1 GLU A 549 -3.653 3.011 -7.454 1.00 0.00 O ATOM 600 OE2 GLU A 549 -5.646 3.454 -6.659 1.00 0.00 O ATOM 0 H GLU A 549 -5.704 -0.286 -3.834 1.00 0.00 H new ATOM 0 HA GLU A 549 -3.387 -1.454 -5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 549 -2.979 0.516 -6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 549 -4.672 0.147 -6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 549 -5.229 1.784 -4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 549 -3.535 2.231 -4.841 1.00 0.00 H new ATOM 607 N THR A 550 -1.843 -0.282 -3.661 1.00 0.00 N ATOM 608 CA THR A 550 -0.975 0.173 -2.591 1.00 0.00 C ATOM 609 C THR A 550 -0.059 1.290 -3.073 1.00 0.00 C ATOM 610 O THR A 550 0.611 1.158 -4.096 1.00 0.00 O ATOM 611 CB THR A 550 -0.133 -0.980 -2.037 1.00 0.00 C ATOM 612 OG1 THR A 550 -0.978 -1.936 -1.383 1.00 0.00 O ATOM 613 CG2 THR A 550 0.917 -0.465 -1.072 1.00 0.00 C ATOM 0 H THR A 550 -1.370 -0.815 -4.391 1.00 0.00 H new ATOM 0 HA THR A 550 -1.612 0.556 -1.794 1.00 0.00 H new ATOM 0 HB THR A 550 0.376 -1.465 -2.870 1.00 0.00 H new ATOM 0 HG1 THR A 550 -1.046 -2.743 -1.934 1.00 0.00 H new ATOM 0 HG21 THR A 550 1.503 -1.302 -0.691 1.00 0.00 H new ATOM 0 HG22 THR A 550 1.575 0.233 -1.589 1.00 0.00 H new ATOM 0 HG23 THR A 550 0.429 0.044 -0.241 1.00 0.00 H new ATOM 621 N TRP A 551 -0.086 2.405 -2.370 1.00 0.00 N ATOM 622 CA TRP A 551 0.741 3.537 -2.727 1.00 0.00 C ATOM 623 C TRP A 551 1.862 3.734 -1.710 1.00 0.00 C ATOM 624 O TRP A 551 1.715 3.452 -0.518 1.00 0.00 O ATOM 625 CB TRP A 551 -0.092 4.811 -2.840 1.00 0.00 C ATOM 626 CG TRP A 551 -0.703 4.985 -4.193 1.00 0.00 C ATOM 627 CD1 TRP A 551 -1.640 4.187 -4.771 1.00 0.00 C ATOM 628 CD2 TRP A 551 -0.411 6.017 -5.143 1.00 0.00 C ATOM 629 NE1 TRP A 551 -1.952 4.654 -6.024 1.00 0.00 N ATOM 630 CE2 TRP A 551 -1.213 5.779 -6.274 1.00 0.00 C ATOM 631 CE3 TRP A 551 0.448 7.118 -5.146 1.00 0.00 C ATOM 632 CZ2 TRP A 551 -1.181 6.602 -7.397 1.00 0.00 C ATOM 633 CZ3 TRP A 551 0.480 7.933 -6.261 1.00 0.00 C ATOM 634 CH2 TRP A 551 -0.331 7.672 -7.373 1.00 0.00 C ATOM 0 H TRP A 551 -0.672 2.550 -1.548 1.00 0.00 H new ATOM 0 HA TRP A 551 1.185 3.327 -3.700 1.00 0.00 H new ATOM 0 HB2 TRP A 551 -0.882 4.791 -2.089 1.00 0.00 H new ATOM 0 HB3 TRP A 551 0.538 5.672 -2.617 1.00 0.00 H new ATOM 0 HD1 TRP A 551 -2.076 3.312 -4.311 1.00 0.00 H new ATOM 0 HE1 TRP A 551 -2.625 4.232 -6.664 1.00 0.00 H new ATOM 0 HE3 TRP A 551 1.076 7.328 -4.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 -1.805 6.402 -8.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 1.142 8.786 -6.276 1.00 0.00 H new ATOM 0 HH2 TRP A 551 -0.284 8.329 -8.228 1.00 0.00 H new ATOM 645 N TYR A 552 2.973 4.224 -2.220 1.00 0.00 N ATOM 646 CA TYR A 552 4.143 4.516 -1.402 1.00 0.00 C ATOM 647 C TYR A 552 4.655 5.910 -1.695 1.00 0.00 C ATOM 648 O TYR A 552 4.448 6.441 -2.785 1.00 0.00 O ATOM 649 CB TYR A 552 5.264 3.503 -1.660 1.00 0.00 C ATOM 650 CG TYR A 552 5.219 2.255 -0.800 1.00 0.00 C ATOM 651 CD1 TYR A 552 4.513 1.128 -1.199 1.00 0.00 C ATOM 652 CD2 TYR A 552 5.918 2.195 0.399 1.00 0.00 C ATOM 653 CE1 TYR A 552 4.501 -0.018 -0.429 1.00 0.00 C ATOM 654 CE2 TYR A 552 5.916 1.050 1.172 1.00 0.00 C ATOM 655 CZ TYR A 552 5.207 -0.054 0.752 1.00 0.00 C ATOM 656 OH TYR A 552 5.197 -1.198 1.518 1.00 0.00 O ATOM 0 H TYR A 552 3.095 4.432 -3.211 1.00 0.00 H new ATOM 0 HA TYR A 552 3.841 4.448 -0.357 1.00 0.00 H new ATOM 0 HB2 TYR A 552 5.227 3.204 -2.708 1.00 0.00 H new ATOM 0 HB3 TYR A 552 6.222 3.998 -1.503 1.00 0.00 H new ATOM 0 HD1 TYR A 552 3.963 1.148 -2.128 1.00 0.00 H new ATOM 0 HD2 TYR A 552 6.473 3.059 0.733 1.00 0.00 H new ATOM 0 HE1 TYR A 552 3.940 -0.883 -0.752 1.00 0.00 H new ATOM 0 HE2 TYR A 552 6.467 1.021 2.100 1.00 0.00 H new ATOM 0 HH TYR A 552 5.745 -1.060 2.319 1.00 0.00 H new ATOM 666 N TYR A 553 5.315 6.514 -0.725 1.00 0.00 N ATOM 667 CA TYR A 553 5.854 7.847 -0.898 1.00 0.00 C ATOM 668 C TYR A 553 7.269 7.920 -0.351 1.00 0.00 C ATOM 669 O TYR A 553 7.527 7.491 0.775 1.00 0.00 O ATOM 670 CB TYR A 553 4.963 8.863 -0.174 1.00 0.00 C ATOM 671 CG TYR A 553 3.494 8.739 -0.516 1.00 0.00 C ATOM 672 CD1 TYR A 553 2.675 7.863 0.185 1.00 0.00 C ATOM 673 CD2 TYR A 553 2.927 9.492 -1.537 1.00 0.00 C ATOM 674 CE1 TYR A 553 1.337 7.738 -0.121 1.00 0.00 C ATOM 675 CE2 TYR A 553 1.585 9.374 -1.847 1.00 0.00 C ATOM 676 CZ TYR A 553 0.795 8.495 -1.136 1.00 0.00 C ATOM 677 OH TYR A 553 -0.543 8.377 -1.435 1.00 0.00 O ATOM 0 H TYR A 553 5.490 6.101 0.191 1.00 0.00 H new ATOM 0 HA TYR A 553 5.878 8.081 -1.962 1.00 0.00 H new ATOM 0 HB2 TYR A 553 5.088 8.740 0.902 1.00 0.00 H new ATOM 0 HB3 TYR A 553 5.300 9.870 -0.421 1.00 0.00 H new ATOM 0 HD1 TYR A 553 3.094 7.269 0.984 1.00 0.00 H new ATOM 0 HD2 TYR A 553 3.544 10.180 -2.097 1.00 0.00 H new ATOM 0 HE1 TYR A 553 0.716 7.049 0.433 1.00 0.00 H new ATOM 0 HE2 TYR A 553 1.157 9.967 -2.642 1.00 0.00 H new ATOM 0 HH TYR A 553 -1.071 8.476 -0.615 1.00 0.00 H new ATOM 687 N GLY A 554 8.181 8.444 -1.155 1.00 0.00 N ATOM 688 CA GLY A 554 9.538 8.641 -0.701 1.00 0.00 C ATOM 689 C GLY A 554 9.611 9.735 0.343 1.00 0.00 C ATOM 690 O GLY A 554 9.071 10.823 0.137 1.00 0.00 O ATOM 0 H GLY A 554 8.003 8.736 -2.116 1.00 0.00 H new ATOM 0 HA2 GLY A 554 9.924 7.711 -0.285 1.00 0.00 H new ATOM 0 HA3 GLY A 554 10.174 8.899 -1.548 1.00 0.00 H new ATOM 694 N PRO A 555 10.278 9.481 1.477 1.00 0.00 N ATOM 695 CA PRO A 555 10.332 10.431 2.593 1.00 0.00 C ATOM 696 C PRO A 555 11.222 11.632 2.297 1.00 0.00 C ATOM 697 O PRO A 555 11.280 12.586 3.072 1.00 0.00 O ATOM 698 CB PRO A 555 10.927 9.600 3.729 1.00 0.00 C ATOM 699 CG PRO A 555 11.747 8.559 3.051 1.00 0.00 C ATOM 700 CD PRO A 555 11.039 8.248 1.762 1.00 0.00 C ATOM 0 HA PRO A 555 9.352 10.853 2.815 1.00 0.00 H new ATOM 0 HB2 PRO A 555 11.537 10.215 4.391 1.00 0.00 H new ATOM 0 HB3 PRO A 555 10.145 9.151 4.342 1.00 0.00 H new ATOM 0 HG2 PRO A 555 12.758 8.920 2.863 1.00 0.00 H new ATOM 0 HG3 PRO A 555 11.837 7.668 3.672 1.00 0.00 H new ATOM 0 HD2 PRO A 555 11.744 8.018 0.963 1.00 0.00 H new ATOM 0 HD3 PRO A 555 10.381 7.385 1.864 1.00 0.00 H new ATOM 708 N CYS A 556 11.915 11.571 1.173 1.00 0.00 N ATOM 709 CA CYS A 556 12.868 12.599 0.802 1.00 0.00 C ATOM 710 C CYS A 556 12.777 12.915 -0.685 1.00 0.00 C ATOM 711 O CYS A 556 13.585 13.680 -1.214 1.00 0.00 O ATOM 712 CB CYS A 556 14.284 12.153 1.165 1.00 0.00 C ATOM 713 SG CYS A 556 14.509 11.792 2.923 1.00 0.00 S ATOM 0 H CYS A 556 11.833 10.812 0.497 1.00 0.00 H new ATOM 0 HA CYS A 556 12.628 13.507 1.355 1.00 0.00 H new ATOM 0 HB2 CYS A 556 14.534 11.264 0.586 1.00 0.00 H new ATOM 0 HB3 CYS A 556 14.987 12.933 0.871 1.00 0.00 H new ATOM 0 HG CYS A 556 15.736 11.420 3.136 1.00 0.00 H new ATOM 719 N GLY A 557 11.793 12.335 -1.363 1.00 0.00 N ATOM 720 CA GLY A 557 11.764 12.425 -2.805 1.00 0.00 C ATOM 721 C GLY A 557 10.374 12.267 -3.384 1.00 0.00 C ATOM 722 O GLY A 557 9.389 12.739 -2.813 1.00 0.00 O ATOM 0 H GLY A 557 11.025 11.811 -0.944 1.00 0.00 H new ATOM 0 HA2 GLY A 557 12.171 13.389 -3.111 1.00 0.00 H new ATOM 0 HA3 GLY A 557 12.415 11.657 -3.224 1.00 0.00 H new ATOM 726 N LYS A 558 10.311 11.597 -4.523 1.00 0.00 N ATOM 727 CA LYS A 558 9.057 11.421 -5.250 1.00 0.00 C ATOM 728 C LYS A 558 8.216 10.303 -4.636 1.00 0.00 C ATOM 729 O LYS A 558 8.595 9.721 -3.619 1.00 0.00 O ATOM 730 CB LYS A 558 9.317 11.149 -6.740 1.00 0.00 C ATOM 731 CG LYS A 558 10.002 9.824 -7.056 1.00 0.00 C ATOM 732 CD LYS A 558 11.517 9.951 -7.048 1.00 0.00 C ATOM 733 CE LYS A 558 12.178 8.797 -7.788 1.00 0.00 C ATOM 734 NZ LYS A 558 11.811 8.778 -9.231 1.00 0.00 N ATOM 0 H LYS A 558 11.118 11.162 -4.970 1.00 0.00 H new ATOM 0 HA LYS A 558 8.494 12.351 -5.168 1.00 0.00 H new ATOM 0 HB2 LYS A 558 8.364 11.181 -7.269 1.00 0.00 H new ATOM 0 HB3 LYS A 558 9.929 11.958 -7.138 1.00 0.00 H new ATOM 0 HG2 LYS A 558 9.697 9.075 -6.325 1.00 0.00 H new ATOM 0 HG3 LYS A 558 9.673 9.469 -8.033 1.00 0.00 H new ATOM 0 HD2 LYS A 558 11.806 10.895 -7.511 1.00 0.00 H new ATOM 0 HD3 LYS A 558 11.875 9.977 -6.019 1.00 0.00 H new ATOM 0 HE2 LYS A 558 13.261 8.876 -7.690 1.00 0.00 H new ATOM 0 HE3 LYS A 558 11.884 7.854 -7.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 558 12.676 8.768 -9.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 558 11.248 7.928 -9.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 558 11.253 9.625 -9.458 1.00 0.00 H new ATOM 748 N ARG A 559 7.079 9.994 -5.254 1.00 0.00 N ATOM 749 CA ARG A 559 6.226 8.935 -4.744 1.00 0.00 C ATOM 750 C ARG A 559 6.036 7.847 -5.791 1.00 0.00 C ATOM 751 O ARG A 559 5.875 8.125 -6.983 1.00 0.00 O ATOM 752 CB ARG A 559 4.874 9.484 -4.251 1.00 0.00 C ATOM 753 CG ARG A 559 3.727 9.441 -5.256 1.00 0.00 C ATOM 754 CD ARG A 559 3.832 10.523 -6.317 1.00 0.00 C ATOM 755 NE ARG A 559 2.609 10.606 -7.117 1.00 0.00 N ATOM 756 CZ ARG A 559 2.577 10.664 -8.447 1.00 0.00 C ATOM 757 NH1 ARG A 559 3.703 10.671 -9.149 1.00 0.00 N ATOM 758 NH2 ARG A 559 1.410 10.720 -9.075 1.00 0.00 N ATOM 0 H ARG A 559 6.734 10.456 -6.095 1.00 0.00 H new ATOM 0 HA ARG A 559 6.724 8.491 -3.882 1.00 0.00 H new ATOM 0 HB2 ARG A 559 4.577 8.921 -3.366 1.00 0.00 H new ATOM 0 HB3 ARG A 559 5.017 10.518 -3.937 1.00 0.00 H new ATOM 0 HG2 ARG A 559 3.711 8.464 -5.740 1.00 0.00 H new ATOM 0 HG3 ARG A 559 2.781 9.550 -4.725 1.00 0.00 H new ATOM 0 HD2 ARG A 559 4.023 11.485 -5.841 1.00 0.00 H new ATOM 0 HD3 ARG A 559 4.681 10.315 -6.968 1.00 0.00 H new ATOM 0 HE ARG A 559 1.718 10.620 -6.621 1.00 0.00 H new ATOM 0 HH11 ARG A 559 4.603 10.632 -8.670 1.00 0.00 H new ATOM 0 HH12 ARG A 559 3.669 10.716 -10.167 1.00 0.00 H new ATOM 0 HH21 ARG A 559 0.542 10.719 -8.539 1.00 0.00 H new ATOM 0 HH22 ARG A 559 1.381 10.765 -10.094 1.00 0.00 H new ATOM 772 N MET A 560 6.087 6.611 -5.331 1.00 0.00 N ATOM 773 CA MET A 560 6.001 5.468 -6.213 1.00 0.00 C ATOM 774 C MET A 560 4.854 4.561 -5.806 1.00 0.00 C ATOM 775 O MET A 560 4.541 4.434 -4.629 1.00 0.00 O ATOM 776 CB MET A 560 7.311 4.673 -6.207 1.00 0.00 C ATOM 777 CG MET A 560 8.538 5.469 -6.645 1.00 0.00 C ATOM 778 SD MET A 560 9.123 6.639 -5.400 1.00 0.00 S ATOM 779 CE MET A 560 9.354 5.554 -3.994 1.00 0.00 C ATOM 0 H MET A 560 6.188 6.375 -4.344 1.00 0.00 H new ATOM 0 HA MET A 560 5.820 5.841 -7.221 1.00 0.00 H new ATOM 0 HB2 MET A 560 7.483 4.289 -5.202 1.00 0.00 H new ATOM 0 HB3 MET A 560 7.200 3.810 -6.864 1.00 0.00 H new ATOM 0 HG2 MET A 560 9.343 4.775 -6.887 1.00 0.00 H new ATOM 0 HG3 MET A 560 8.301 6.013 -7.559 1.00 0.00 H new ATOM 0 HE1 MET A 560 10.120 5.967 -3.338 1.00 0.00 H new ATOM 0 HE2 MET A 560 8.416 5.465 -3.445 1.00 0.00 H new ATOM 0 HE3 MET A 560 9.666 4.569 -4.342 1.00 0.00 H new ATOM 789 N LYS A 561 4.236 3.920 -6.777 1.00 0.00 N ATOM 790 CA LYS A 561 3.186 2.963 -6.493 1.00 0.00 C ATOM 791 C LYS A 561 3.399 1.714 -7.336 1.00 0.00 C ATOM 792 O LYS A 561 2.559 0.812 -7.378 1.00 0.00 O ATOM 793 CB LYS A 561 1.801 3.567 -6.735 1.00 0.00 C ATOM 794 CG LYS A 561 1.517 3.971 -8.178 1.00 0.00 C ATOM 795 CD LYS A 561 0.726 2.905 -8.926 1.00 0.00 C ATOM 796 CE LYS A 561 -0.689 2.773 -8.382 1.00 0.00 C ATOM 797 NZ LYS A 561 -1.498 1.786 -9.145 1.00 0.00 N ATOM 0 H LYS A 561 4.442 4.044 -7.768 1.00 0.00 H new ATOM 0 HA LYS A 561 3.233 2.691 -5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 561 1.047 2.846 -6.420 1.00 0.00 H new ATOM 0 HB3 LYS A 561 1.688 4.445 -6.099 1.00 0.00 H new ATOM 0 HG2 LYS A 561 0.961 4.909 -8.189 1.00 0.00 H new ATOM 0 HG3 LYS A 561 2.459 4.153 -8.695 1.00 0.00 H new ATOM 0 HD2 LYS A 561 0.687 3.157 -9.986 1.00 0.00 H new ATOM 0 HD3 LYS A 561 1.239 1.947 -8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 561 -0.647 2.473 -7.335 1.00 0.00 H new ATOM 0 HE3 LYS A 561 -1.181 3.745 -8.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 -2.491 1.840 -8.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 -1.437 1.998 -10.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 -1.133 0.828 -8.969 1.00 0.00 H new ATOM 811 N GLN A 562 4.542 1.675 -8.000 1.00 0.00 N ATOM 812 CA GLN A 562 4.918 0.532 -8.803 1.00 0.00 C ATOM 813 C GLN A 562 6.220 -0.053 -8.289 1.00 0.00 C ATOM 814 O GLN A 562 7.097 0.676 -7.823 1.00 0.00 O ATOM 815 CB GLN A 562 5.080 0.926 -10.272 1.00 0.00 C ATOM 816 CG GLN A 562 3.910 1.708 -10.852 1.00 0.00 C ATOM 817 CD GLN A 562 2.755 0.844 -11.347 1.00 0.00 C ATOM 818 OE1 GLN A 562 2.552 -0.321 -10.754 1.00 0.00 O flip ATOM 819 NE2 GLN A 562 2.046 1.227 -12.274 1.00 0.00 N flip ATOM 0 H GLN A 562 5.228 2.430 -7.996 1.00 0.00 H new ATOM 0 HA GLN A 562 4.126 -0.213 -8.728 1.00 0.00 H new ATOM 0 HB2 GLN A 562 5.986 1.523 -10.376 1.00 0.00 H new ATOM 0 HB3 GLN A 562 5.224 0.022 -10.863 1.00 0.00 H new ATOM 0 HG2 GLN A 562 3.535 2.393 -10.092 1.00 0.00 H new ATOM 0 HG3 GLN A 562 4.272 2.318 -11.680 1.00 0.00 H new ATOM 0 HE21 GLN A 562 2.225 2.130 -12.713 1.00 0.00 H new ATOM 0 HE22 GLN A 562 1.278 0.642 -12.604 1.00 0.00 H new ATOM 828 N PHE A 563 6.336 -1.365 -8.383 1.00 0.00 N ATOM 829 CA PHE A 563 7.538 -2.076 -7.971 1.00 0.00 C ATOM 830 C PHE A 563 8.793 -1.553 -8.689 1.00 0.00 C ATOM 831 O PHE A 563 9.779 -1.214 -8.029 1.00 0.00 O ATOM 832 CB PHE A 563 7.356 -3.576 -8.219 1.00 0.00 C ATOM 833 CG PHE A 563 8.504 -4.423 -7.753 1.00 0.00 C ATOM 834 CD1 PHE A 563 9.073 -4.222 -6.505 1.00 0.00 C ATOM 835 CD2 PHE A 563 9.008 -5.428 -8.562 1.00 0.00 C ATOM 836 CE1 PHE A 563 10.123 -5.008 -6.075 1.00 0.00 C ATOM 837 CE2 PHE A 563 10.057 -6.217 -8.136 1.00 0.00 C ATOM 838 CZ PHE A 563 10.615 -6.007 -6.891 1.00 0.00 C ATOM 0 H PHE A 563 5.600 -1.970 -8.747 1.00 0.00 H new ATOM 0 HA PHE A 563 7.688 -1.899 -6.906 1.00 0.00 H new ATOM 0 HB2 PHE A 563 6.447 -3.908 -7.716 1.00 0.00 H new ATOM 0 HB3 PHE A 563 7.208 -3.741 -9.286 1.00 0.00 H new ATOM 0 HD1 PHE A 563 8.691 -3.442 -5.863 1.00 0.00 H new ATOM 0 HD2 PHE A 563 8.575 -5.596 -9.537 1.00 0.00 H new ATOM 0 HE1 PHE A 563 10.559 -4.842 -5.101 1.00 0.00 H new ATOM 0 HE2 PHE A 563 10.441 -6.998 -8.776 1.00 0.00 H new ATOM 0 HZ PHE A 563 11.436 -6.624 -6.556 1.00 0.00 H new ATOM 848 N PRO A 564 8.780 -1.440 -10.041 1.00 0.00 N ATOM 849 CA PRO A 564 9.953 -0.984 -10.800 1.00 0.00 C ATOM 850 C PRO A 564 10.301 0.474 -10.511 1.00 0.00 C ATOM 851 O PRO A 564 11.381 0.947 -10.861 1.00 0.00 O ATOM 852 CB PRO A 564 9.530 -1.155 -12.261 1.00 0.00 C ATOM 853 CG PRO A 564 8.046 -1.092 -12.227 1.00 0.00 C ATOM 854 CD PRO A 564 7.643 -1.737 -10.937 1.00 0.00 C ATOM 0 HA PRO A 564 10.848 -1.548 -10.537 1.00 0.00 H new ATOM 0 HB2 PRO A 564 9.947 -0.368 -12.890 1.00 0.00 H new ATOM 0 HB3 PRO A 564 9.878 -2.105 -12.667 1.00 0.00 H new ATOM 0 HG2 PRO A 564 7.697 -0.061 -12.275 1.00 0.00 H new ATOM 0 HG3 PRO A 564 7.612 -1.616 -13.079 1.00 0.00 H new ATOM 0 HD2 PRO A 564 6.710 -1.323 -10.554 1.00 0.00 H new ATOM 0 HD3 PRO A 564 7.492 -2.810 -11.053 1.00 0.00 H new ATOM 862 N GLU A 565 9.392 1.174 -9.847 1.00 0.00 N ATOM 863 CA GLU A 565 9.610 2.557 -9.449 1.00 0.00 C ATOM 864 C GLU A 565 10.314 2.642 -8.101 1.00 0.00 C ATOM 865 O GLU A 565 10.989 3.624 -7.796 1.00 0.00 O ATOM 866 CB GLU A 565 8.279 3.301 -9.406 1.00 0.00 C ATOM 867 CG GLU A 565 7.665 3.509 -10.778 1.00 0.00 C ATOM 868 CD GLU A 565 8.545 4.350 -11.675 1.00 0.00 C ATOM 869 OE1 GLU A 565 8.836 5.504 -11.306 1.00 0.00 O ATOM 870 OE2 GLU A 565 8.958 3.857 -12.745 1.00 0.00 O ATOM 0 H GLU A 565 8.485 0.800 -9.570 1.00 0.00 H new ATOM 0 HA GLU A 565 10.258 3.027 -10.189 1.00 0.00 H new ATOM 0 HB2 GLU A 565 7.579 2.744 -8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 565 8.428 4.271 -8.931 1.00 0.00 H new ATOM 0 HG2 GLU A 565 7.491 2.541 -11.247 1.00 0.00 H new ATOM 0 HG3 GLU A 565 6.693 3.990 -10.670 1.00 0.00 H new ATOM 877 N VAL A 566 10.132 1.621 -7.291 1.00 0.00 N ATOM 878 CA VAL A 566 10.767 1.576 -5.984 1.00 0.00 C ATOM 879 C VAL A 566 12.240 1.183 -6.112 1.00 0.00 C ATOM 880 O VAL A 566 13.114 1.814 -5.515 1.00 0.00 O ATOM 881 CB VAL A 566 10.021 0.621 -5.027 1.00 0.00 C ATOM 882 CG1 VAL A 566 10.837 0.358 -3.769 1.00 0.00 C ATOM 883 CG2 VAL A 566 8.659 1.205 -4.664 1.00 0.00 C ATOM 0 H VAL A 566 9.552 0.811 -7.510 1.00 0.00 H new ATOM 0 HA VAL A 566 10.716 2.576 -5.554 1.00 0.00 H new ATOM 0 HB VAL A 566 9.876 -0.331 -5.538 1.00 0.00 H new ATOM 0 HG11 VAL A 566 10.287 -0.317 -3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 566 11.790 -0.096 -4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 566 11.019 1.299 -3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 566 8.140 0.525 -3.989 1.00 0.00 H new ATOM 0 HG22 VAL A 566 8.795 2.169 -4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 566 8.067 1.339 -5.570 1.00 0.00 H new ATOM 893 N ILE A 567 12.505 0.160 -6.922 1.00 0.00 N ATOM 894 CA ILE A 567 13.872 -0.341 -7.131 1.00 0.00 C ATOM 895 C ILE A 567 14.794 0.757 -7.661 1.00 0.00 C ATOM 896 O ILE A 567 15.983 0.797 -7.343 1.00 0.00 O ATOM 897 CB ILE A 567 13.908 -1.531 -8.113 1.00 0.00 C ATOM 898 CG1 ILE A 567 12.706 -2.443 -7.888 1.00 0.00 C ATOM 899 CG2 ILE A 567 15.199 -2.321 -7.942 1.00 0.00 C ATOM 900 CD1 ILE A 567 12.588 -2.948 -6.467 1.00 0.00 C ATOM 0 H ILE A 567 11.791 -0.343 -7.449 1.00 0.00 H new ATOM 0 HA ILE A 567 14.224 -0.675 -6.155 1.00 0.00 H new ATOM 0 HB ILE A 567 13.867 -1.139 -9.129 1.00 0.00 H new ATOM 0 HG12 ILE A 567 11.796 -1.903 -8.150 1.00 0.00 H new ATOM 0 HG13 ILE A 567 12.776 -3.296 -8.563 1.00 0.00 H new ATOM 0 HG21 ILE A 567 15.209 -3.157 -8.641 1.00 0.00 H new ATOM 0 HG22 ILE A 567 16.052 -1.672 -8.140 1.00 0.00 H new ATOM 0 HG23 ILE A 567 15.261 -2.701 -6.922 1.00 0.00 H new ATOM 0 HD11 ILE A 567 11.711 -3.590 -6.381 1.00 0.00 H new ATOM 0 HD12 ILE A 567 13.481 -3.516 -6.208 1.00 0.00 H new ATOM 0 HD13 ILE A 567 12.486 -2.102 -5.787 1.00 0.00 H new ATOM 912 N LYS A 568 14.230 1.664 -8.441 1.00 0.00 N ATOM 913 CA LYS A 568 15.025 2.757 -8.982 1.00 0.00 C ATOM 914 C LYS A 568 15.340 3.783 -7.904 1.00 0.00 C ATOM 915 O LYS A 568 16.444 4.309 -7.856 1.00 0.00 O ATOM 916 CB LYS A 568 14.355 3.412 -10.193 1.00 0.00 C ATOM 917 CG LYS A 568 12.957 3.915 -9.920 1.00 0.00 C ATOM 918 CD LYS A 568 12.320 4.532 -11.156 1.00 0.00 C ATOM 919 CE LYS A 568 12.243 3.545 -12.309 1.00 0.00 C ATOM 920 NZ LYS A 568 11.521 4.110 -13.478 1.00 0.00 N ATOM 0 H LYS A 568 13.246 1.669 -8.710 1.00 0.00 H new ATOM 0 HA LYS A 568 15.965 2.331 -9.332 1.00 0.00 H new ATOM 0 HB2 LYS A 568 14.971 4.245 -10.530 1.00 0.00 H new ATOM 0 HB3 LYS A 568 14.318 2.691 -11.010 1.00 0.00 H new ATOM 0 HG2 LYS A 568 12.338 3.090 -9.567 1.00 0.00 H new ATOM 0 HG3 LYS A 568 12.988 4.655 -9.121 1.00 0.00 H new ATOM 0 HD2 LYS A 568 11.317 4.882 -10.911 1.00 0.00 H new ATOM 0 HD3 LYS A 568 12.896 5.405 -11.464 1.00 0.00 H new ATOM 0 HE2 LYS A 568 13.251 3.259 -12.609 1.00 0.00 H new ATOM 0 HE3 LYS A 568 11.740 2.637 -11.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 11.506 3.411 -14.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 10.546 4.344 -13.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 12.005 4.971 -13.802 1.00 0.00 H new ATOM 934 N TYR A 569 14.388 4.036 -7.007 1.00 0.00 N ATOM 935 CA TYR A 569 14.560 5.024 -5.948 1.00 0.00 C ATOM 936 C TYR A 569 15.685 4.595 -5.015 1.00 0.00 C ATOM 937 O TYR A 569 16.505 5.412 -4.593 1.00 0.00 O ATOM 938 CB TYR A 569 13.250 5.182 -5.166 1.00 0.00 C ATOM 939 CG TYR A 569 13.271 6.277 -4.117 1.00 0.00 C ATOM 940 CD1 TYR A 569 13.797 6.048 -2.852 1.00 0.00 C ATOM 941 CD2 TYR A 569 12.748 7.535 -4.391 1.00 0.00 C ATOM 942 CE1 TYR A 569 13.803 7.041 -1.890 1.00 0.00 C ATOM 943 CE2 TYR A 569 12.751 8.536 -3.439 1.00 0.00 C ATOM 944 CZ TYR A 569 13.279 8.285 -2.187 1.00 0.00 C ATOM 945 OH TYR A 569 13.281 9.276 -1.229 1.00 0.00 O ATOM 0 H TYR A 569 13.483 3.565 -6.995 1.00 0.00 H new ATOM 0 HA TYR A 569 14.822 5.984 -6.392 1.00 0.00 H new ATOM 0 HB2 TYR A 569 12.444 5.387 -5.870 1.00 0.00 H new ATOM 0 HB3 TYR A 569 13.016 4.235 -4.680 1.00 0.00 H new ATOM 0 HD1 TYR A 569 14.208 5.078 -2.616 1.00 0.00 H new ATOM 0 HD2 TYR A 569 12.331 7.734 -5.367 1.00 0.00 H new ATOM 0 HE1 TYR A 569 14.215 6.846 -0.911 1.00 0.00 H new ATOM 0 HE2 TYR A 569 12.343 9.509 -3.672 1.00 0.00 H new ATOM 0 HH TYR A 569 13.104 10.142 -1.653 1.00 0.00 H new ATOM 955 N LEU A 570 15.722 3.303 -4.722 1.00 0.00 N ATOM 956 CA LEU A 570 16.738 2.734 -3.847 1.00 0.00 C ATOM 957 C LEU A 570 18.114 2.831 -4.501 1.00 0.00 C ATOM 958 O LEU A 570 19.120 3.025 -3.827 1.00 0.00 O ATOM 959 CB LEU A 570 16.406 1.272 -3.545 1.00 0.00 C ATOM 960 CG LEU A 570 14.957 1.005 -3.128 1.00 0.00 C ATOM 961 CD1 LEU A 570 14.762 -0.460 -2.783 1.00 0.00 C ATOM 962 CD2 LEU A 570 14.560 1.890 -1.957 1.00 0.00 C ATOM 0 H LEU A 570 15.053 2.622 -5.082 1.00 0.00 H new ATOM 0 HA LEU A 570 16.753 3.297 -2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 570 16.628 0.675 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 570 17.066 0.923 -2.751 1.00 0.00 H new ATOM 0 HG LEU A 570 14.310 1.248 -3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 570 13.726 -0.630 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 570 14.998 -1.073 -3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 570 15.422 -0.731 -1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 570 13.527 1.683 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 570 15.213 1.685 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 570 14.655 2.937 -2.244 1.00 0.00 H new ATOM 974 N SER A 571 18.143 2.691 -5.820 1.00 0.00 N ATOM 975 CA SER A 571 19.382 2.796 -6.577 1.00 0.00 C ATOM 976 C SER A 571 19.854 4.248 -6.653 1.00 0.00 C ATOM 977 O SER A 571 21.038 4.541 -6.473 1.00 0.00 O ATOM 978 CB SER A 571 19.179 2.229 -7.988 1.00 0.00 C ATOM 979 OG SER A 571 20.362 2.321 -8.767 1.00 0.00 O ATOM 0 H SER A 571 17.318 2.504 -6.389 1.00 0.00 H new ATOM 0 HA SER A 571 20.151 2.217 -6.065 1.00 0.00 H new ATOM 0 HB2 SER A 571 18.869 1.186 -7.920 1.00 0.00 H new ATOM 0 HB3 SER A 571 18.373 2.770 -8.485 1.00 0.00 H new ATOM 0 HG SER A 571 20.196 1.949 -9.659 1.00 0.00 H new ATOM 985 N ARG A 572 18.916 5.153 -6.911 1.00 0.00 N ATOM 986 CA ARG A 572 19.230 6.566 -7.113 1.00 0.00 C ATOM 987 C ARG A 572 19.586 7.253 -5.801 1.00 0.00 C ATOM 988 O ARG A 572 20.208 8.317 -5.790 1.00 0.00 O ATOM 989 CB ARG A 572 18.039 7.274 -7.757 1.00 0.00 C ATOM 990 CG ARG A 572 17.625 6.669 -9.087 1.00 0.00 C ATOM 991 CD ARG A 572 16.362 7.314 -9.632 1.00 0.00 C ATOM 992 NE ARG A 572 16.584 8.713 -9.991 1.00 0.00 N ATOM 993 CZ ARG A 572 16.599 9.169 -11.243 1.00 0.00 C ATOM 994 NH1 ARG A 572 16.394 8.343 -12.263 1.00 0.00 N ATOM 995 NH2 ARG A 572 16.829 10.453 -11.479 1.00 0.00 N ATOM 0 H ARG A 572 17.923 4.932 -6.986 1.00 0.00 H new ATOM 0 HA ARG A 572 20.097 6.626 -7.772 1.00 0.00 H new ATOM 0 HB2 ARG A 572 17.192 7.241 -7.072 1.00 0.00 H new ATOM 0 HB3 ARG A 572 18.287 8.325 -7.906 1.00 0.00 H new ATOM 0 HG2 ARG A 572 18.434 6.788 -9.808 1.00 0.00 H new ATOM 0 HG3 ARG A 572 17.462 5.598 -8.964 1.00 0.00 H new ATOM 0 HD2 ARG A 572 16.020 6.763 -10.508 1.00 0.00 H new ATOM 0 HD3 ARG A 572 15.569 7.250 -8.886 1.00 0.00 H new ATOM 0 HE ARG A 572 16.737 9.382 -9.236 1.00 0.00 H new ATOM 0 HH11 ARG A 572 16.224 7.352 -12.091 1.00 0.00 H new ATOM 0 HH12 ARG A 572 16.407 8.700 -13.219 1.00 0.00 H new ATOM 0 HH21 ARG A 572 16.995 11.093 -10.702 1.00 0.00 H new ATOM 0 HH22 ARG A 572 16.840 10.801 -12.438 1.00 0.00 H new ATOM 1009 N ASN A 573 19.182 6.647 -4.701 1.00 0.00 N ATOM 1010 CA ASN A 573 19.441 7.200 -3.382 1.00 0.00 C ATOM 1011 C ASN A 573 20.224 6.205 -2.545 1.00 0.00 C ATOM 1012 O ASN A 573 20.642 5.162 -3.043 1.00 0.00 O ATOM 1013 CB ASN A 573 18.123 7.548 -2.679 1.00 0.00 C ATOM 1014 CG ASN A 573 17.399 8.714 -3.325 1.00 0.00 C ATOM 1015 OD1 ASN A 573 17.592 9.869 -2.943 1.00 0.00 O ATOM 1016 ND2 ASN A 573 16.560 8.422 -4.308 1.00 0.00 N ATOM 0 H ASN A 573 18.669 5.765 -4.694 1.00 0.00 H new ATOM 0 HA ASN A 573 20.028 8.111 -3.497 1.00 0.00 H new ATOM 0 HB2 ASN A 573 17.472 6.674 -2.686 1.00 0.00 H new ATOM 0 HB3 ASN A 573 18.326 7.786 -1.635 1.00 0.00 H new ATOM 0 HD21 ASN A 573 16.046 9.167 -4.778 1.00 0.00 H new ATOM 0 HD22 ASN A 573 16.428 7.452 -4.595 1.00 0.00 H new ATOM 1023 N VAL A 574 20.451 6.541 -1.288 1.00 0.00 N ATOM 1024 CA VAL A 574 21.060 5.611 -0.356 1.00 0.00 C ATOM 1025 C VAL A 574 20.059 5.252 0.732 1.00 0.00 C ATOM 1026 O VAL A 574 19.590 6.122 1.469 1.00 0.00 O ATOM 1027 CB VAL A 574 22.337 6.191 0.290 1.00 0.00 C ATOM 1028 CG1 VAL A 574 22.950 5.191 1.260 1.00 0.00 C ATOM 1029 CG2 VAL A 574 23.349 6.587 -0.775 1.00 0.00 C ATOM 0 H VAL A 574 20.222 7.452 -0.889 1.00 0.00 H new ATOM 0 HA VAL A 574 21.346 4.721 -0.916 1.00 0.00 H new ATOM 0 HB VAL A 574 22.058 7.085 0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 574 23.849 5.619 1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 574 22.231 4.959 2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 574 23.210 4.277 0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 574 24.240 6.993 -0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 574 23.620 5.710 -1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 574 22.912 7.342 -1.429 1.00 0.00 H new ATOM 1039 N VAL A 575 19.718 3.976 0.812 1.00 0.00 N ATOM 1040 CA VAL A 575 18.771 3.492 1.805 1.00 0.00 C ATOM 1041 C VAL A 575 19.306 2.212 2.442 1.00 0.00 C ATOM 1042 O VAL A 575 19.546 1.222 1.752 1.00 0.00 O ATOM 1043 CB VAL A 575 17.378 3.228 1.183 1.00 0.00 C ATOM 1044 CG1 VAL A 575 16.380 2.834 2.255 1.00 0.00 C ATOM 1045 CG2 VAL A 575 16.871 4.447 0.431 1.00 0.00 C ATOM 0 H VAL A 575 20.086 3.251 0.196 1.00 0.00 H new ATOM 0 HA VAL A 575 18.655 4.264 2.566 1.00 0.00 H new ATOM 0 HB VAL A 575 17.484 2.406 0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 575 15.407 2.653 1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 575 16.721 1.927 2.754 1.00 0.00 H new ATOM 0 HG13 VAL A 575 16.293 3.639 2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 575 15.891 4.231 0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 575 16.791 5.290 1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 575 17.567 4.696 -0.370 1.00 0.00 H new ATOM 1055 N HIS A 576 19.501 2.243 3.755 1.00 0.00 N ATOM 1056 CA HIS A 576 20.136 1.134 4.461 1.00 0.00 C ATOM 1057 C HIS A 576 19.135 0.383 5.338 1.00 0.00 C ATOM 1058 O HIS A 576 19.223 -0.838 5.492 1.00 0.00 O ATOM 1059 CB HIS A 576 21.297 1.667 5.313 1.00 0.00 C ATOM 1060 CG HIS A 576 22.039 0.614 6.081 1.00 0.00 C ATOM 1061 ND1 HIS A 576 22.060 0.611 7.455 1.00 0.00 N ATOM 1062 CD2 HIS A 576 22.775 -0.427 5.627 1.00 0.00 C ATOM 1063 CE1 HIS A 576 22.804 -0.425 7.802 1.00 0.00 C ATOM 1064 NE2 HIS A 576 23.259 -1.084 6.729 1.00 0.00 N ATOM 0 H HIS A 576 19.229 3.023 4.353 1.00 0.00 H new ATOM 0 HA HIS A 576 20.518 0.430 3.722 1.00 0.00 H new ATOM 0 HB2 HIS A 576 22.000 2.187 4.662 1.00 0.00 H new ATOM 0 HB3 HIS A 576 20.907 2.404 6.015 1.00 0.00 H new ATOM 0 HD2 HIS A 576 22.948 -0.690 4.594 1.00 0.00 H new ATOM 0 HE1 HIS A 576 23.018 -0.705 8.823 1.00 0.00 H new ATOM 0 HE2 HIS A 576 23.851 -1.914 6.731 1.00 0.00 H new ATOM 1072 N SER A 577 18.186 1.111 5.908 1.00 0.00 N ATOM 1073 CA SER A 577 17.225 0.522 6.830 1.00 0.00 C ATOM 1074 C SER A 577 16.227 -0.377 6.100 1.00 0.00 C ATOM 1075 O SER A 577 15.913 -1.476 6.561 1.00 0.00 O ATOM 1076 CB SER A 577 16.488 1.625 7.590 1.00 0.00 C ATOM 1077 OG SER A 577 17.405 2.467 8.271 1.00 0.00 O ATOM 0 H SER A 577 18.060 2.111 5.749 1.00 0.00 H new ATOM 0 HA SER A 577 17.773 -0.099 7.538 1.00 0.00 H new ATOM 0 HB2 SER A 577 15.892 2.216 6.895 1.00 0.00 H new ATOM 0 HB3 SER A 577 15.796 1.180 8.305 1.00 0.00 H new ATOM 0 HG SER A 577 16.913 3.167 8.749 1.00 0.00 H new ATOM 1083 N VAL A 578 15.743 0.083 4.955 1.00 0.00 N ATOM 1084 CA VAL A 578 14.746 -0.671 4.207 1.00 0.00 C ATOM 1085 C VAL A 578 15.210 -1.015 2.796 1.00 0.00 C ATOM 1086 O VAL A 578 15.834 -0.205 2.114 1.00 0.00 O ATOM 1087 CB VAL A 578 13.391 0.070 4.159 1.00 0.00 C ATOM 1088 CG1 VAL A 578 12.730 0.041 5.525 1.00 0.00 C ATOM 1089 CG2 VAL A 578 13.562 1.509 3.698 1.00 0.00 C ATOM 0 H VAL A 578 16.021 0.966 4.527 1.00 0.00 H new ATOM 0 HA VAL A 578 14.610 -1.609 4.746 1.00 0.00 H new ATOM 0 HB VAL A 578 12.755 -0.444 3.438 1.00 0.00 H new ATOM 0 HG11 VAL A 578 11.776 0.566 5.479 1.00 0.00 H new ATOM 0 HG12 VAL A 578 12.561 -0.993 5.825 1.00 0.00 H new ATOM 0 HG13 VAL A 578 13.378 0.529 6.253 1.00 0.00 H new ATOM 0 HG21 VAL A 578 12.590 2.002 3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 578 14.220 2.036 4.388 1.00 0.00 H new ATOM 0 HG23 VAL A 578 13.999 1.522 2.699 1.00 0.00 H new ATOM 1099 N ARG A 579 14.921 -2.243 2.382 1.00 0.00 N ATOM 1100 CA ARG A 579 15.231 -2.714 1.041 1.00 0.00 C ATOM 1101 C ARG A 579 13.918 -2.951 0.310 1.00 0.00 C ATOM 1102 O ARG A 579 12.855 -2.802 0.911 1.00 0.00 O ATOM 1103 CB ARG A 579 16.044 -4.014 1.087 1.00 0.00 C ATOM 1104 CG ARG A 579 17.171 -4.012 2.111 1.00 0.00 C ATOM 1105 CD ARG A 579 18.089 -2.815 1.936 1.00 0.00 C ATOM 1106 NE ARG A 579 19.257 -2.883 2.813 1.00 0.00 N ATOM 1107 CZ ARG A 579 20.423 -2.299 2.544 1.00 0.00 C ATOM 1108 NH1 ARG A 579 20.586 -1.622 1.412 1.00 0.00 N ATOM 1109 NH2 ARG A 579 21.429 -2.399 3.404 1.00 0.00 N ATOM 0 H ARG A 579 14.464 -2.940 2.969 1.00 0.00 H new ATOM 0 HA ARG A 579 15.832 -1.967 0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 579 15.371 -4.842 1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 579 16.466 -4.200 0.099 1.00 0.00 H new ATOM 0 HG2 ARG A 579 16.749 -4.003 3.116 1.00 0.00 H new ATOM 0 HG3 ARG A 579 17.750 -4.931 2.017 1.00 0.00 H new ATOM 0 HD2 ARG A 579 18.418 -2.760 0.898 1.00 0.00 H new ATOM 0 HD3 ARG A 579 17.534 -1.900 2.143 1.00 0.00 H new ATOM 0 HE ARG A 579 19.174 -3.409 3.683 1.00 0.00 H new ATOM 0 HH11 ARG A 579 19.817 -1.549 0.746 1.00 0.00 H new ATOM 0 HH12 ARG A 579 21.480 -1.176 1.209 1.00 0.00 H new ATOM 0 HH21 ARG A 579 21.309 -2.923 4.271 1.00 0.00 H new ATOM 0 HH22 ARG A 579 22.322 -1.952 3.198 1.00 0.00 H new ATOM 1123 N ARG A 580 13.972 -3.314 -0.969 1.00 0.00 N ATOM 1124 CA ARG A 580 12.761 -3.521 -1.760 1.00 0.00 C ATOM 1125 C ARG A 580 11.803 -4.519 -1.100 1.00 0.00 C ATOM 1126 O ARG A 580 10.589 -4.393 -1.247 1.00 0.00 O ATOM 1127 CB ARG A 580 13.082 -3.969 -3.190 1.00 0.00 C ATOM 1128 CG ARG A 580 13.777 -5.313 -3.288 1.00 0.00 C ATOM 1129 CD ARG A 580 15.285 -5.166 -3.321 1.00 0.00 C ATOM 1130 NE ARG A 580 15.963 -6.458 -3.373 1.00 0.00 N ATOM 1131 CZ ARG A 580 17.283 -6.602 -3.289 1.00 0.00 C ATOM 1132 NH1 ARG A 580 18.065 -5.533 -3.181 1.00 0.00 N ATOM 1133 NH2 ARG A 580 17.821 -7.814 -3.299 1.00 0.00 N ATOM 0 H ARG A 580 14.841 -3.471 -1.480 1.00 0.00 H new ATOM 0 HA ARG A 580 12.262 -2.553 -1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 580 12.154 -4.012 -3.760 1.00 0.00 H new ATOM 0 HB3 ARG A 580 13.711 -3.214 -3.661 1.00 0.00 H new ATOM 0 HG2 ARG A 580 13.491 -5.933 -2.438 1.00 0.00 H new ATOM 0 HG3 ARG A 580 13.443 -5.830 -4.187 1.00 0.00 H new ATOM 0 HD2 ARG A 580 15.572 -4.572 -4.189 1.00 0.00 H new ATOM 0 HD3 ARG A 580 15.615 -4.620 -2.437 1.00 0.00 H new ATOM 0 HE ARG A 580 15.393 -7.297 -3.480 1.00 0.00 H new ATOM 0 HH11 ARG A 580 17.653 -4.600 -3.162 1.00 0.00 H new ATOM 0 HH12 ARG A 580 19.077 -5.646 -3.117 1.00 0.00 H new ATOM 0 HH21 ARG A 580 17.223 -8.637 -3.371 1.00 0.00 H new ATOM 0 HH22 ARG A 580 18.833 -7.923 -3.235 1.00 0.00 H new ATOM 1147 N GLU A 581 12.337 -5.510 -0.377 1.00 0.00 N ATOM 1148 CA GLU A 581 11.527 -6.488 0.356 1.00 0.00 C ATOM 1149 C GLU A 581 10.597 -5.845 1.386 1.00 0.00 C ATOM 1150 O GLU A 581 9.527 -6.377 1.680 1.00 0.00 O ATOM 1151 CB GLU A 581 12.448 -7.494 1.054 1.00 0.00 C ATOM 1152 CG GLU A 581 13.360 -6.864 2.096 1.00 0.00 C ATOM 1153 CD GLU A 581 14.452 -7.800 2.567 1.00 0.00 C ATOM 1154 OE1 GLU A 581 14.199 -8.607 3.485 1.00 0.00 O ATOM 1155 OE2 GLU A 581 15.579 -7.726 2.029 1.00 0.00 O ATOM 0 H GLU A 581 13.342 -5.656 -0.284 1.00 0.00 H new ATOM 0 HA GLU A 581 10.893 -6.989 -0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 581 11.838 -8.260 1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 581 13.059 -7.995 0.304 1.00 0.00 H new ATOM 0 HG2 GLU A 581 13.814 -5.965 1.678 1.00 0.00 H new ATOM 0 HG3 GLU A 581 12.763 -6.551 2.952 1.00 0.00 H new ATOM 1162 N HIS A 582 11.003 -4.707 1.924 1.00 0.00 N ATOM 1163 CA HIS A 582 10.232 -4.022 2.956 1.00 0.00 C ATOM 1164 C HIS A 582 9.027 -3.311 2.354 1.00 0.00 C ATOM 1165 O HIS A 582 8.133 -2.855 3.065 1.00 0.00 O ATOM 1166 CB HIS A 582 11.115 -3.036 3.716 1.00 0.00 C ATOM 1167 CG HIS A 582 12.139 -3.701 4.584 1.00 0.00 C ATOM 1168 ND1 HIS A 582 13.476 -3.654 4.282 1.00 0.00 N ATOM 1169 CD2 HIS A 582 11.971 -4.404 5.730 1.00 0.00 C ATOM 1170 CE1 HIS A 582 14.088 -4.321 5.241 1.00 0.00 C ATOM 1171 NE2 HIS A 582 13.218 -4.797 6.143 1.00 0.00 N ATOM 0 H HIS A 582 11.868 -4.233 1.663 1.00 0.00 H new ATOM 0 HA HIS A 582 9.865 -4.770 3.659 1.00 0.00 H new ATOM 0 HB2 HIS A 582 11.621 -2.388 3.001 1.00 0.00 H new ATOM 0 HB3 HIS A 582 10.485 -2.397 4.335 1.00 0.00 H new ATOM 0 HD2 HIS A 582 11.034 -4.615 6.224 1.00 0.00 H new ATOM 0 HE1 HIS A 582 15.157 -4.466 5.293 1.00 0.00 H new ATOM 0 HE2 HIS A 582 13.440 -5.345 6.974 1.00 0.00 H new ATOM 1179 N PHE A 583 9.013 -3.226 1.036 1.00 0.00 N ATOM 1180 CA PHE A 583 7.937 -2.557 0.329 1.00 0.00 C ATOM 1181 C PHE A 583 7.044 -3.595 -0.334 1.00 0.00 C ATOM 1182 O PHE A 583 7.517 -4.444 -1.093 1.00 0.00 O ATOM 1183 CB PHE A 583 8.497 -1.579 -0.708 1.00 0.00 C ATOM 1184 CG PHE A 583 9.491 -0.610 -0.130 1.00 0.00 C ATOM 1185 CD1 PHE A 583 9.112 0.303 0.838 1.00 0.00 C ATOM 1186 CD2 PHE A 583 10.805 -0.621 -0.552 1.00 0.00 C ATOM 1187 CE1 PHE A 583 10.028 1.186 1.373 1.00 0.00 C ATOM 1188 CE2 PHE A 583 11.727 0.260 -0.023 1.00 0.00 C ATOM 1189 CZ PHE A 583 11.338 1.164 0.942 1.00 0.00 C ATOM 0 H PHE A 583 9.738 -3.614 0.432 1.00 0.00 H new ATOM 0 HA PHE A 583 7.345 -1.982 1.041 1.00 0.00 H new ATOM 0 HB2 PHE A 583 8.973 -2.143 -1.510 1.00 0.00 H new ATOM 0 HB3 PHE A 583 7.674 -1.022 -1.155 1.00 0.00 H new ATOM 0 HD1 PHE A 583 8.087 0.325 1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 583 11.116 -1.328 -1.306 1.00 0.00 H new ATOM 0 HE1 PHE A 583 9.719 1.893 2.128 1.00 0.00 H new ATOM 0 HE2 PHE A 583 12.751 0.241 -0.365 1.00 0.00 H new ATOM 0 HZ PHE A 583 12.057 1.853 1.360 1.00 0.00 H new ATOM 1199 N SER A 584 5.755 -3.535 -0.046 1.00 0.00 N ATOM 1200 CA SER A 584 4.816 -4.523 -0.541 1.00 0.00 C ATOM 1201 C SER A 584 3.574 -3.814 -1.058 1.00 0.00 C ATOM 1202 O SER A 584 3.024 -2.940 -0.385 1.00 0.00 O ATOM 1203 CB SER A 584 4.445 -5.510 0.572 1.00 0.00 C ATOM 1204 OG SER A 584 3.488 -6.457 0.128 1.00 0.00 O ATOM 0 H SER A 584 5.334 -2.807 0.532 1.00 0.00 H new ATOM 0 HA SER A 584 5.275 -5.086 -1.354 1.00 0.00 H new ATOM 0 HB2 SER A 584 5.341 -6.029 0.913 1.00 0.00 H new ATOM 0 HB3 SER A 584 4.048 -4.963 1.427 1.00 0.00 H new ATOM 0 HG SER A 584 3.274 -7.073 0.859 1.00 0.00 H new ATOM 1210 N PHE A 585 3.128 -4.193 -2.244 1.00 0.00 N ATOM 1211 CA PHE A 585 2.000 -3.531 -2.873 1.00 0.00 C ATOM 1212 C PHE A 585 0.730 -4.360 -2.763 1.00 0.00 C ATOM 1213 O PHE A 585 -0.344 -3.923 -3.176 1.00 0.00 O ATOM 1214 CB PHE A 585 2.312 -3.217 -4.334 1.00 0.00 C ATOM 1215 CG PHE A 585 3.247 -2.055 -4.496 1.00 0.00 C ATOM 1216 CD1 PHE A 585 2.815 -0.780 -4.200 1.00 0.00 C ATOM 1217 CD2 PHE A 585 4.550 -2.233 -4.934 1.00 0.00 C ATOM 1218 CE1 PHE A 585 3.652 0.303 -4.336 1.00 0.00 C ATOM 1219 CE2 PHE A 585 5.397 -1.148 -5.073 1.00 0.00 C ATOM 1220 CZ PHE A 585 4.943 0.122 -4.773 1.00 0.00 C ATOM 0 H PHE A 585 3.530 -4.955 -2.789 1.00 0.00 H new ATOM 0 HA PHE A 585 1.828 -2.595 -2.342 1.00 0.00 H new ATOM 0 HB2 PHE A 585 2.750 -4.097 -4.804 1.00 0.00 H new ATOM 0 HB3 PHE A 585 1.382 -3.004 -4.861 1.00 0.00 H new ATOM 0 HD1 PHE A 585 1.803 -0.629 -3.856 1.00 0.00 H new ATOM 0 HD2 PHE A 585 4.906 -3.225 -5.168 1.00 0.00 H new ATOM 0 HE1 PHE A 585 3.295 1.295 -4.100 1.00 0.00 H new ATOM 0 HE2 PHE A 585 6.411 -1.293 -5.415 1.00 0.00 H new ATOM 0 HZ PHE A 585 5.601 0.971 -4.882 1.00 0.00 H new ATOM 1230 N SER A 586 0.860 -5.558 -2.218 1.00 0.00 N ATOM 1231 CA SER A 586 -0.290 -6.410 -1.961 1.00 0.00 C ATOM 1232 C SER A 586 -1.253 -5.749 -0.967 1.00 0.00 C ATOM 1233 O SER A 586 -0.896 -5.513 0.193 1.00 0.00 O ATOM 1234 CB SER A 586 0.192 -7.754 -1.417 1.00 0.00 C ATOM 1235 OG SER A 586 1.195 -8.306 -2.256 1.00 0.00 O ATOM 0 H SER A 586 1.754 -5.964 -1.944 1.00 0.00 H new ATOM 0 HA SER A 586 -0.830 -6.565 -2.895 1.00 0.00 H new ATOM 0 HB2 SER A 586 0.586 -7.623 -0.409 1.00 0.00 H new ATOM 0 HB3 SER A 586 -0.648 -8.445 -1.344 1.00 0.00 H new ATOM 0 HG SER A 586 1.492 -9.165 -1.890 1.00 0.00 H new ATOM 1241 N PRO A 587 -2.492 -5.446 -1.405 1.00 0.00 N ATOM 1242 CA PRO A 587 -3.513 -4.827 -0.549 1.00 0.00 C ATOM 1243 C PRO A 587 -4.108 -5.816 0.444 1.00 0.00 C ATOM 1244 O PRO A 587 -5.097 -5.528 1.111 1.00 0.00 O ATOM 1245 CB PRO A 587 -4.580 -4.375 -1.541 1.00 0.00 C ATOM 1246 CG PRO A 587 -4.464 -5.343 -2.664 1.00 0.00 C ATOM 1247 CD PRO A 587 -2.999 -5.674 -2.775 1.00 0.00 C ATOM 0 HA PRO A 587 -3.101 -4.020 0.056 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -5.574 -4.399 -1.095 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -4.405 -3.353 -1.876 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -5.053 -6.239 -2.469 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -4.838 -4.911 -3.592 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -2.843 -6.704 -3.095 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -2.496 -5.035 -3.501 1.00 0.00 H new ATOM 1255 N ARG A 588 -3.490 -6.982 0.541 1.00 0.00 N ATOM 1256 CA ARG A 588 -3.905 -8.003 1.480 1.00 0.00 C ATOM 1257 C ARG A 588 -2.975 -7.965 2.683 1.00 0.00 C ATOM 1258 O ARG A 588 -3.063 -8.785 3.595 1.00 0.00 O ATOM 1259 CB ARG A 588 -3.876 -9.378 0.807 1.00 0.00 C ATOM 1260 CG ARG A 588 -4.578 -9.399 -0.543 1.00 0.00 C ATOM 1261 CD ARG A 588 -4.555 -10.780 -1.174 1.00 0.00 C ATOM 1262 NE ARG A 588 -5.036 -10.755 -2.556 1.00 0.00 N ATOM 1263 CZ ARG A 588 -5.245 -11.844 -3.291 1.00 0.00 C ATOM 1264 NH1 ARG A 588 -5.115 -13.049 -2.744 1.00 0.00 N ATOM 1265 NH2 ARG A 588 -5.608 -11.729 -4.566 1.00 0.00 N ATOM 0 H ARG A 588 -2.687 -7.244 -0.031 1.00 0.00 H new ATOM 0 HA ARG A 588 -4.927 -7.816 1.811 1.00 0.00 H new ATOM 0 HB2 ARG A 588 -2.840 -9.689 0.675 1.00 0.00 H new ATOM 0 HB3 ARG A 588 -4.347 -10.108 1.466 1.00 0.00 H new ATOM 0 HG2 ARG A 588 -5.611 -9.074 -0.420 1.00 0.00 H new ATOM 0 HG3 ARG A 588 -4.097 -8.686 -1.213 1.00 0.00 H new ATOM 0 HD2 ARG A 588 -3.539 -11.174 -1.150 1.00 0.00 H new ATOM 0 HD3 ARG A 588 -5.173 -11.458 -0.586 1.00 0.00 H new ATOM 0 HE ARG A 588 -5.222 -9.847 -2.982 1.00 0.00 H new ATOM 0 HH11 ARG A 588 -4.855 -13.138 -1.762 1.00 0.00 H new ATOM 0 HH12 ARG A 588 -5.275 -13.885 -3.307 1.00 0.00 H new ATOM 0 HH21 ARG A 588 -5.726 -10.805 -4.981 1.00 0.00 H new ATOM 0 HH22 ARG A 588 -5.768 -12.565 -5.128 1.00 0.00 H new ATOM 1279 N MET A 589 -2.063 -7.001 2.648 1.00 0.00 N ATOM 1280 CA MET A 589 -1.161 -6.747 3.759 1.00 0.00 C ATOM 1281 C MET A 589 -1.663 -5.566 4.580 1.00 0.00 C ATOM 1282 O MET A 589 -1.486 -4.411 4.187 1.00 0.00 O ATOM 1283 CB MET A 589 0.251 -6.454 3.248 1.00 0.00 C ATOM 1284 CG MET A 589 1.289 -6.410 4.347 1.00 0.00 C ATOM 1285 SD MET A 589 1.482 -7.986 5.195 1.00 0.00 S ATOM 1286 CE MET A 589 2.120 -9.003 3.867 1.00 0.00 C ATOM 0 H MET A 589 -1.930 -6.377 1.852 1.00 0.00 H new ATOM 0 HA MET A 589 -1.130 -7.637 4.388 1.00 0.00 H new ATOM 0 HB2 MET A 589 0.533 -7.217 2.522 1.00 0.00 H new ATOM 0 HB3 MET A 589 0.248 -5.499 2.722 1.00 0.00 H new ATOM 0 HG2 MET A 589 2.248 -6.112 3.922 1.00 0.00 H new ATOM 0 HG3 MET A 589 1.010 -5.645 5.072 1.00 0.00 H new ATOM 0 HE1 MET A 589 2.571 -9.904 4.283 1.00 0.00 H new ATOM 0 HE2 MET A 589 1.306 -9.281 3.198 1.00 0.00 H new ATOM 0 HE3 MET A 589 2.873 -8.444 3.310 1.00 0.00 H new ATOM 1296 N PRO A 590 -2.303 -5.835 5.725 1.00 0.00 N ATOM 1297 CA PRO A 590 -2.872 -4.792 6.577 1.00 0.00 C ATOM 1298 C PRO A 590 -1.820 -4.107 7.441 1.00 0.00 C ATOM 1299 O PRO A 590 -1.727 -4.359 8.642 1.00 0.00 O ATOM 1300 CB PRO A 590 -3.857 -5.565 7.448 1.00 0.00 C ATOM 1301 CG PRO A 590 -3.260 -6.923 7.573 1.00 0.00 C ATOM 1302 CD PRO A 590 -2.525 -7.185 6.283 1.00 0.00 C ATOM 0 HA PRO A 590 -3.325 -3.988 5.997 1.00 0.00 H new ATOM 0 HB2 PRO A 590 -3.979 -5.094 8.423 1.00 0.00 H new ATOM 0 HB3 PRO A 590 -4.845 -5.607 6.989 1.00 0.00 H new ATOM 0 HG2 PRO A 590 -2.581 -6.972 8.424 1.00 0.00 H new ATOM 0 HG3 PRO A 590 -4.033 -7.673 7.739 1.00 0.00 H new ATOM 0 HD2 PRO A 590 -1.583 -7.706 6.457 1.00 0.00 H new ATOM 0 HD3 PRO A 590 -3.112 -7.806 5.607 1.00 0.00 H new ATOM 1310 N VAL A 591 -1.006 -3.262 6.826 1.00 0.00 N ATOM 1311 CA VAL A 591 0.080 -2.634 7.556 1.00 0.00 C ATOM 1312 C VAL A 591 -0.123 -1.142 7.812 1.00 0.00 C ATOM 1313 O VAL A 591 -0.332 -0.761 8.962 1.00 0.00 O ATOM 1314 CB VAL A 591 1.435 -2.906 6.883 1.00 0.00 C ATOM 1315 CG1 VAL A 591 2.536 -2.107 7.552 1.00 0.00 C ATOM 1316 CG2 VAL A 591 1.738 -4.385 6.974 1.00 0.00 C ATOM 0 H VAL A 591 -1.075 -3.000 5.843 1.00 0.00 H new ATOM 0 HA VAL A 591 0.080 -3.102 8.541 1.00 0.00 H new ATOM 0 HB VAL A 591 1.385 -2.601 5.838 1.00 0.00 H new ATOM 0 HG11 VAL A 591 3.486 -2.314 7.060 1.00 0.00 H new ATOM 0 HG12 VAL A 591 2.312 -1.043 7.475 1.00 0.00 H new ATOM 0 HG13 VAL A 591 2.602 -2.388 8.603 1.00 0.00 H new ATOM 0 HG21 VAL A 591 2.698 -4.590 6.499 1.00 0.00 H new ATOM 0 HG22 VAL A 591 1.780 -4.684 8.021 1.00 0.00 H new ATOM 0 HG23 VAL A 591 0.955 -4.949 6.467 1.00 0.00 H new ATOM 1326 N GLY A 592 -0.074 -0.282 6.792 1.00 0.00 N ATOM 1327 CA GLY A 592 -0.085 1.143 7.059 1.00 0.00 C ATOM 1328 C GLY A 592 -1.475 1.722 7.071 1.00 0.00 C ATOM 1329 O GLY A 592 -2.221 1.564 8.040 1.00 0.00 O ATOM 0 H GLY A 592 -0.028 -0.543 5.807 1.00 0.00 H new ATOM 0 HA2 GLY A 592 0.391 1.332 8.021 1.00 0.00 H new ATOM 0 HA3 GLY A 592 0.511 1.655 6.303 1.00 0.00 H new ATOM 1333 N ASP A 593 -1.831 2.389 5.991 1.00 0.00 N ATOM 1334 CA ASP A 593 -3.111 3.041 5.900 1.00 0.00 C ATOM 1335 C ASP A 593 -3.988 2.340 4.884 1.00 0.00 C ATOM 1336 O ASP A 593 -3.535 1.966 3.813 1.00 0.00 O ATOM 1337 CB ASP A 593 -2.942 4.512 5.517 1.00 0.00 C ATOM 1338 CG ASP A 593 -2.168 5.307 6.548 1.00 0.00 C ATOM 1339 OD1 ASP A 593 -2.761 5.687 7.579 1.00 0.00 O ATOM 1340 OD2 ASP A 593 -0.965 5.560 6.333 1.00 0.00 O ATOM 0 H ASP A 593 -1.244 2.491 5.163 1.00 0.00 H new ATOM 0 HA ASP A 593 -3.590 2.989 6.878 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -2.429 4.575 4.557 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -3.926 4.962 5.383 1.00 0.00 H new ATOM 1345 N PHE A 594 -5.227 2.140 5.257 1.00 0.00 N ATOM 1346 CA PHE A 594 -6.223 1.571 4.355 1.00 0.00 C ATOM 1347 C PHE A 594 -7.405 2.505 4.193 1.00 0.00 C ATOM 1348 O PHE A 594 -7.942 3.016 5.175 1.00 0.00 O ATOM 1349 CB PHE A 594 -6.698 0.209 4.858 1.00 0.00 C ATOM 1350 CG PHE A 594 -5.838 -0.938 4.408 1.00 0.00 C ATOM 1351 CD1 PHE A 594 -4.554 -1.102 4.900 1.00 0.00 C ATOM 1352 CD2 PHE A 594 -6.320 -1.854 3.488 1.00 0.00 C ATOM 1353 CE1 PHE A 594 -3.768 -2.158 4.485 1.00 0.00 C ATOM 1354 CE2 PHE A 594 -5.539 -2.913 3.068 1.00 0.00 C ATOM 1355 CZ PHE A 594 -4.261 -3.065 3.567 1.00 0.00 C ATOM 0 H PHE A 594 -5.582 2.362 6.187 1.00 0.00 H new ATOM 0 HA PHE A 594 -5.750 1.438 3.382 1.00 0.00 H new ATOM 0 HB2 PHE A 594 -6.726 0.224 5.948 1.00 0.00 H new ATOM 0 HB3 PHE A 594 -7.719 0.042 4.515 1.00 0.00 H new ATOM 0 HD1 PHE A 594 -4.163 -0.395 5.617 1.00 0.00 H new ATOM 0 HD2 PHE A 594 -7.319 -1.739 3.094 1.00 0.00 H new ATOM 0 HE1 PHE A 594 -2.769 -2.275 4.878 1.00 0.00 H new ATOM 0 HE2 PHE A 594 -5.927 -3.621 2.351 1.00 0.00 H new ATOM 0 HZ PHE A 594 -3.648 -3.892 3.240 1.00 0.00 H new ATOM 1365 N PHE A 595 -7.796 2.738 2.948 1.00 0.00 N ATOM 1366 CA PHE A 595 -8.936 3.586 2.649 1.00 0.00 C ATOM 1367 C PHE A 595 -9.861 2.896 1.660 1.00 0.00 C ATOM 1368 O PHE A 595 -9.435 2.044 0.881 1.00 0.00 O ATOM 1369 CB PHE A 595 -8.469 4.921 2.055 1.00 0.00 C ATOM 1370 CG PHE A 595 -7.314 5.534 2.789 1.00 0.00 C ATOM 1371 CD1 PHE A 595 -7.523 6.358 3.882 1.00 0.00 C ATOM 1372 CD2 PHE A 595 -6.014 5.271 2.392 1.00 0.00 C ATOM 1373 CE1 PHE A 595 -6.454 6.904 4.566 1.00 0.00 C ATOM 1374 CE2 PHE A 595 -4.948 5.817 3.068 1.00 0.00 C ATOM 1375 CZ PHE A 595 -5.165 6.631 4.154 1.00 0.00 C ATOM 0 H PHE A 595 -7.336 2.348 2.126 1.00 0.00 H new ATOM 0 HA PHE A 595 -9.473 3.773 3.579 1.00 0.00 H new ATOM 0 HB2 PHE A 595 -8.186 4.767 1.014 1.00 0.00 H new ATOM 0 HB3 PHE A 595 -9.304 5.622 2.058 1.00 0.00 H new ATOM 0 HD1 PHE A 595 -8.531 6.576 4.203 1.00 0.00 H new ATOM 0 HD2 PHE A 595 -5.835 4.630 1.542 1.00 0.00 H new ATOM 0 HE1 PHE A 595 -6.626 7.542 5.420 1.00 0.00 H new ATOM 0 HE2 PHE A 595 -3.939 5.606 2.745 1.00 0.00 H new ATOM 0 HZ PHE A 595 -4.327 7.057 4.685 1.00 0.00 H new ATOM 1385 N GLU A 596 -11.118 3.280 1.694 1.00 0.00 N ATOM 1386 CA GLU A 596 -12.083 2.758 0.753 1.00 0.00 C ATOM 1387 C GLU A 596 -12.869 3.916 0.156 1.00 0.00 C ATOM 1388 O GLU A 596 -13.313 4.813 0.879 1.00 0.00 O ATOM 1389 CB GLU A 596 -13.010 1.744 1.438 1.00 0.00 C ATOM 1390 CG GLU A 596 -14.144 2.366 2.233 1.00 0.00 C ATOM 1391 CD GLU A 596 -15.286 1.402 2.480 1.00 0.00 C ATOM 1392 OE1 GLU A 596 -16.027 1.092 1.524 1.00 0.00 O ATOM 1393 OE2 GLU A 596 -15.462 0.958 3.629 1.00 0.00 O ATOM 0 H GLU A 596 -11.495 3.951 2.363 1.00 0.00 H new ATOM 0 HA GLU A 596 -11.567 2.232 -0.050 1.00 0.00 H new ATOM 0 HB2 GLU A 596 -13.433 1.087 0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 596 -12.415 1.119 2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 596 -13.760 2.719 3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 596 -14.520 3.238 1.699 1.00 0.00 H new ATOM 1400 N GLU A 597 -12.995 3.948 -1.159 1.00 0.00 N ATOM 1401 CA GLU A 597 -13.704 5.017 -1.831 1.00 0.00 C ATOM 1402 C GLU A 597 -15.198 4.829 -1.637 1.00 0.00 C ATOM 1403 O GLU A 597 -15.755 3.785 -1.984 1.00 0.00 O ATOM 1404 CB GLU A 597 -13.362 5.019 -3.322 1.00 0.00 C ATOM 1405 CG GLU A 597 -14.260 5.912 -4.160 1.00 0.00 C ATOM 1406 CD GLU A 597 -14.010 5.751 -5.643 1.00 0.00 C ATOM 1407 OE1 GLU A 597 -14.559 4.800 -6.236 1.00 0.00 O ATOM 1408 OE2 GLU A 597 -13.269 6.570 -6.223 1.00 0.00 O ATOM 0 H GLU A 597 -12.612 3.239 -1.784 1.00 0.00 H new ATOM 0 HA GLU A 597 -13.403 5.974 -1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 597 -12.328 5.341 -3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 597 -13.426 3.999 -3.700 1.00 0.00 H new ATOM 0 HG2 GLU A 597 -15.303 5.681 -3.943 1.00 0.00 H new ATOM 0 HG3 GLU A 597 -14.099 6.952 -3.878 1.00 0.00 H new ATOM 1415 N ARG A 598 -15.839 5.837 -1.080 1.00 0.00 N ATOM 1416 CA ARG A 598 -17.236 5.745 -0.716 1.00 0.00 C ATOM 1417 C ARG A 598 -17.989 6.992 -1.161 1.00 0.00 C ATOM 1418 O ARG A 598 -17.386 8.048 -1.368 1.00 0.00 O ATOM 1419 CB ARG A 598 -17.341 5.560 0.804 1.00 0.00 C ATOM 1420 CG ARG A 598 -18.761 5.511 1.334 1.00 0.00 C ATOM 1421 CD ARG A 598 -18.795 5.367 2.843 1.00 0.00 C ATOM 1422 NE ARG A 598 -20.165 5.309 3.344 1.00 0.00 N ATOM 1423 CZ ARG A 598 -20.515 4.788 4.516 1.00 0.00 C ATOM 1424 NH1 ARG A 598 -19.602 4.235 5.308 1.00 0.00 N ATOM 1425 NH2 ARG A 598 -21.786 4.809 4.890 1.00 0.00 N ATOM 0 H ARG A 598 -15.408 6.737 -0.869 1.00 0.00 H new ATOM 0 HA ARG A 598 -17.689 4.890 -1.218 1.00 0.00 H new ATOM 0 HB2 ARG A 598 -16.831 4.637 1.081 1.00 0.00 H new ATOM 0 HB3 ARG A 598 -16.811 6.377 1.294 1.00 0.00 H new ATOM 0 HG2 ARG A 598 -19.289 6.420 1.044 1.00 0.00 H new ATOM 0 HG3 ARG A 598 -19.291 4.675 0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 598 -18.261 4.463 3.135 1.00 0.00 H new ATOM 0 HD3 ARG A 598 -18.274 6.207 3.302 1.00 0.00 H new ATOM 0 HE ARG A 598 -20.903 5.694 2.755 1.00 0.00 H new ATOM 0 HH11 ARG A 598 -18.624 4.208 5.018 1.00 0.00 H new ATOM 0 HH12 ARG A 598 -19.879 3.838 6.206 1.00 0.00 H new ATOM 0 HH21 ARG A 598 -22.490 5.223 4.280 1.00 0.00 H new ATOM 0 HH22 ARG A 598 -22.060 4.411 5.788 1.00 0.00 H new ATOM 1439 N ASP A 599 -19.302 6.868 -1.301 1.00 0.00 N ATOM 1440 CA ASP A 599 -20.157 7.997 -1.630 1.00 0.00 C ATOM 1441 C ASP A 599 -20.770 8.591 -0.379 1.00 0.00 C ATOM 1442 O ASP A 599 -21.142 7.875 0.550 1.00 0.00 O ATOM 1443 CB ASP A 599 -21.270 7.564 -2.590 1.00 0.00 C ATOM 1444 CG ASP A 599 -22.192 6.522 -1.983 1.00 0.00 C ATOM 1445 OD1 ASP A 599 -21.779 5.345 -1.877 1.00 0.00 O ATOM 1446 OD2 ASP A 599 -23.330 6.872 -1.607 1.00 0.00 O ATOM 0 H ASP A 599 -19.801 5.985 -1.190 1.00 0.00 H new ATOM 0 HA ASP A 599 -19.540 8.754 -2.114 1.00 0.00 H new ATOM 0 HB2 ASP A 599 -21.855 8.437 -2.879 1.00 0.00 H new ATOM 0 HB3 ASP A 599 -20.824 7.163 -3.500 1.00 0.00 H new ATOM 1451 N THR A 600 -20.836 9.906 -0.345 1.00 0.00 N ATOM 1452 CA THR A 600 -21.468 10.611 0.753 1.00 0.00 C ATOM 1453 C THR A 600 -22.357 11.715 0.202 1.00 0.00 C ATOM 1454 O THR A 600 -22.229 12.094 -0.965 1.00 0.00 O ATOM 1455 CB THR A 600 -20.415 11.227 1.699 1.00 0.00 C ATOM 1456 OG1 THR A 600 -19.835 12.376 1.086 1.00 0.00 O ATOM 1457 CG2 THR A 600 -19.315 10.230 2.005 1.00 0.00 C ATOM 0 H THR A 600 -20.456 10.513 -1.071 1.00 0.00 H new ATOM 0 HA THR A 600 -22.065 9.896 1.320 1.00 0.00 H new ATOM 0 HB THR A 600 -20.913 11.504 2.628 1.00 0.00 H new ATOM 0 HG1 THR A 600 -19.268 12.096 0.337 1.00 0.00 H new ATOM 0 HG21 THR A 600 -18.585 10.687 2.673 1.00 0.00 H new ATOM 0 HG22 THR A 600 -19.744 9.350 2.484 1.00 0.00 H new ATOM 0 HG23 THR A 600 -18.823 9.935 1.078 1.00 0.00 H new ATOM 1465 N PRO A 601 -23.273 12.240 1.022 1.00 0.00 N ATOM 1466 CA PRO A 601 -24.134 13.366 0.643 1.00 0.00 C ATOM 1467 C PRO A 601 -23.342 14.639 0.323 1.00 0.00 C ATOM 1468 O PRO A 601 -23.892 15.606 -0.210 1.00 0.00 O ATOM 1469 CB PRO A 601 -25.027 13.567 1.871 1.00 0.00 C ATOM 1470 CG PRO A 601 -24.301 12.908 2.990 1.00 0.00 C ATOM 1471 CD PRO A 601 -23.582 11.749 2.374 1.00 0.00 C ATOM 0 HA PRO A 601 -24.692 13.158 -0.270 1.00 0.00 H new ATOM 0 HB2 PRO A 601 -25.186 14.626 2.074 1.00 0.00 H new ATOM 0 HB3 PRO A 601 -26.010 13.120 1.721 1.00 0.00 H new ATOM 0 HG2 PRO A 601 -23.601 13.597 3.463 1.00 0.00 H new ATOM 0 HG3 PRO A 601 -24.993 12.574 3.764 1.00 0.00 H new ATOM 0 HD2 PRO A 601 -22.679 11.493 2.928 1.00 0.00 H new ATOM 0 HD3 PRO A 601 -24.204 10.855 2.347 1.00 0.00 H new ATOM 1479 N GLU A 602 -22.053 14.639 0.646 1.00 0.00 N ATOM 1480 CA GLU A 602 -21.188 15.759 0.294 1.00 0.00 C ATOM 1481 C GLU A 602 -20.345 15.422 -0.939 1.00 0.00 C ATOM 1482 O GLU A 602 -19.780 16.309 -1.581 1.00 0.00 O ATOM 1483 CB GLU A 602 -20.286 16.144 1.475 1.00 0.00 C ATOM 1484 CG GLU A 602 -19.125 15.194 1.706 1.00 0.00 C ATOM 1485 CD GLU A 602 -18.272 15.585 2.894 1.00 0.00 C ATOM 1486 OE1 GLU A 602 -17.538 16.592 2.800 1.00 0.00 O ATOM 1487 OE2 GLU A 602 -18.316 14.878 3.923 1.00 0.00 O ATOM 0 H GLU A 602 -21.587 13.882 1.147 1.00 0.00 H new ATOM 0 HA GLU A 602 -21.820 16.614 0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 602 -19.893 17.146 1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 602 -20.891 16.188 2.381 1.00 0.00 H new ATOM 0 HG2 GLU A 602 -19.511 14.186 1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 602 -18.502 15.165 0.812 1.00 0.00 H new ATOM 1494 N GLY A 603 -20.261 14.134 -1.257 1.00 0.00 N ATOM 1495 CA GLY A 603 -19.518 13.722 -2.426 1.00 0.00 C ATOM 1496 C GLY A 603 -18.684 12.487 -2.205 1.00 0.00 C ATOM 1497 O GLY A 603 -18.784 11.827 -1.172 1.00 0.00 O ATOM 0 H GLY A 603 -20.692 13.376 -0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 603 -20.215 13.538 -3.243 1.00 0.00 H new ATOM 0 HA3 GLY A 603 -18.867 14.539 -2.739 1.00 0.00 H new ATOM 1501 N LEU A 604 -17.871 12.172 -3.190 1.00 0.00 N ATOM 1502 CA LEU A 604 -16.966 11.043 -3.107 1.00 0.00 C ATOM 1503 C LEU A 604 -15.747 11.393 -2.277 1.00 0.00 C ATOM 1504 O LEU A 604 -14.989 12.310 -2.603 1.00 0.00 O ATOM 1505 CB LEU A 604 -16.540 10.584 -4.500 1.00 0.00 C ATOM 1506 CG LEU A 604 -17.615 9.833 -5.281 1.00 0.00 C ATOM 1507 CD1 LEU A 604 -17.209 9.674 -6.738 1.00 0.00 C ATOM 1508 CD2 LEU A 604 -17.872 8.471 -4.655 1.00 0.00 C ATOM 0 H LEU A 604 -17.818 12.688 -4.068 1.00 0.00 H new ATOM 0 HA LEU A 604 -17.496 10.224 -2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 604 -16.234 11.456 -5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 604 -15.665 9.942 -4.404 1.00 0.00 H new ATOM 0 HG LEU A 604 -18.535 10.416 -5.241 1.00 0.00 H new ATOM 0 HD11 LEU A 604 -17.989 9.136 -7.276 1.00 0.00 H new ATOM 0 HD12 LEU A 604 -17.071 10.658 -7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 604 -16.276 9.114 -6.797 1.00 0.00 H new ATOM 0 HD21 LEU A 604 -18.641 7.948 -5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 604 -16.952 7.886 -4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 604 -18.207 8.601 -3.626 1.00 0.00 H new ATOM 1520 N GLN A 605 -15.575 10.657 -1.203 1.00 0.00 N ATOM 1521 CA GLN A 605 -14.432 10.846 -0.331 1.00 0.00 C ATOM 1522 C GLN A 605 -13.867 9.490 0.037 1.00 0.00 C ATOM 1523 O GLN A 605 -14.597 8.494 0.068 1.00 0.00 O ATOM 1524 CB GLN A 605 -14.801 11.626 0.919 1.00 0.00 C ATOM 1525 CG GLN A 605 -15.792 10.916 1.808 1.00 0.00 C ATOM 1526 CD GLN A 605 -16.308 11.828 2.881 1.00 0.00 C ATOM 1527 OE1 GLN A 605 -15.786 11.874 3.993 1.00 0.00 O ATOM 1528 NE2 GLN A 605 -17.317 12.590 2.532 1.00 0.00 N ATOM 0 H GLN A 605 -16.214 9.918 -0.909 1.00 0.00 H new ATOM 0 HA GLN A 605 -13.681 11.431 -0.861 1.00 0.00 H new ATOM 0 HB2 GLN A 605 -13.895 11.829 1.490 1.00 0.00 H new ATOM 0 HB3 GLN A 605 -15.216 12.590 0.625 1.00 0.00 H new ATOM 0 HG2 GLN A 605 -16.624 10.548 1.208 1.00 0.00 H new ATOM 0 HG3 GLN A 605 -15.318 10.046 2.263 1.00 0.00 H new ATOM 0 HE21 GLN A 605 -17.715 12.513 1.596 1.00 0.00 H new ATOM 0 HE22 GLN A 605 -17.704 13.260 3.197 1.00 0.00 H new ATOM 1537 N TRP A 606 -12.576 9.434 0.290 1.00 0.00 N ATOM 1538 CA TRP A 606 -11.930 8.188 0.624 1.00 0.00 C ATOM 1539 C TRP A 606 -11.988 7.996 2.126 1.00 0.00 C ATOM 1540 O TRP A 606 -11.346 8.728 2.876 1.00 0.00 O ATOM 1541 CB TRP A 606 -10.482 8.185 0.138 1.00 0.00 C ATOM 1542 CG TRP A 606 -10.356 7.873 -1.318 1.00 0.00 C ATOM 1543 CD1 TRP A 606 -10.423 8.743 -2.369 1.00 0.00 C ATOM 1544 CD2 TRP A 606 -10.149 6.581 -1.878 1.00 0.00 C ATOM 1545 NE1 TRP A 606 -10.268 8.060 -3.552 1.00 0.00 N ATOM 1546 CE2 TRP A 606 -10.100 6.727 -3.274 1.00 0.00 C ATOM 1547 CE3 TRP A 606 -10.002 5.312 -1.327 1.00 0.00 C ATOM 1548 CZ2 TRP A 606 -9.908 5.642 -4.126 1.00 0.00 C ATOM 1549 CZ3 TRP A 606 -9.815 4.242 -2.169 1.00 0.00 C ATOM 1550 CH2 TRP A 606 -9.769 4.407 -3.553 1.00 0.00 C ATOM 0 H TRP A 606 -11.954 10.242 0.270 1.00 0.00 H new ATOM 0 HA TRP A 606 -12.447 7.365 0.130 1.00 0.00 H new ATOM 0 HB2 TRP A 606 -10.036 9.160 0.335 1.00 0.00 H new ATOM 0 HB3 TRP A 606 -9.913 7.453 0.711 1.00 0.00 H new ATOM 0 HD1 TRP A 606 -10.575 9.809 -2.283 1.00 0.00 H new ATOM 0 HE1 TRP A 606 -10.276 8.476 -4.483 1.00 0.00 H new ATOM 0 HE3 TRP A 606 -10.034 5.170 -0.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 606 -9.870 5.770 -5.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 606 -9.701 3.253 -1.750 1.00 0.00 H new ATOM 0 HH2 TRP A 606 -9.621 3.544 -4.185 1.00 0.00 H new ATOM 1561 N VAL A 607 -12.766 7.025 2.565 1.00 0.00 N ATOM 1562 CA VAL A 607 -12.952 6.796 3.983 1.00 0.00 C ATOM 1563 C VAL A 607 -11.950 5.775 4.485 1.00 0.00 C ATOM 1564 O VAL A 607 -11.775 4.712 3.894 1.00 0.00 O ATOM 1565 CB VAL A 607 -14.385 6.300 4.285 1.00 0.00 C ATOM 1566 CG1 VAL A 607 -14.618 6.193 5.785 1.00 0.00 C ATOM 1567 CG2 VAL A 607 -15.420 7.214 3.642 1.00 0.00 C ATOM 0 H VAL A 607 -13.278 6.383 1.960 1.00 0.00 H new ATOM 0 HA VAL A 607 -12.796 7.745 4.497 1.00 0.00 H new ATOM 0 HB VAL A 607 -14.495 5.305 3.854 1.00 0.00 H new ATOM 0 HG11 VAL A 607 -15.633 5.842 5.971 1.00 0.00 H new ATOM 0 HG12 VAL A 607 -13.906 5.488 6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 607 -14.482 7.172 6.245 1.00 0.00 H new ATOM 0 HG21 VAL A 607 -16.421 6.846 3.868 1.00 0.00 H new ATOM 0 HG22 VAL A 607 -15.308 8.224 4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 607 -15.273 7.227 2.562 1.00 0.00 H new ATOM 1577 N GLN A 608 -11.283 6.125 5.566 1.00 0.00 N ATOM 1578 CA GLN A 608 -10.244 5.294 6.133 1.00 0.00 C ATOM 1579 C GLN A 608 -10.867 4.095 6.826 1.00 0.00 C ATOM 1580 O GLN A 608 -11.852 4.226 7.556 1.00 0.00 O ATOM 1581 CB GLN A 608 -9.401 6.088 7.126 1.00 0.00 C ATOM 1582 CG GLN A 608 -8.207 5.309 7.644 1.00 0.00 C ATOM 1583 CD GLN A 608 -7.317 6.133 8.539 1.00 0.00 C ATOM 1584 OE1 GLN A 608 -7.778 7.031 9.246 1.00 0.00 O ATOM 1585 NE2 GLN A 608 -6.031 5.842 8.507 1.00 0.00 N ATOM 0 H GLN A 608 -11.447 6.994 6.075 1.00 0.00 H new ATOM 0 HA GLN A 608 -9.595 4.950 5.328 1.00 0.00 H new ATOM 0 HB2 GLN A 608 -9.051 7.003 6.648 1.00 0.00 H new ATOM 0 HB3 GLN A 608 -10.026 6.387 7.968 1.00 0.00 H new ATOM 0 HG2 GLN A 608 -8.559 4.436 8.193 1.00 0.00 H new ATOM 0 HG3 GLN A 608 -7.625 4.941 6.799 1.00 0.00 H new ATOM 0 HE21 GLN A 608 -5.693 5.090 7.907 1.00 0.00 H new ATOM 0 HE22 GLN A 608 -5.374 6.369 9.083 1.00 0.00 H new ATOM 1594 N LEU A 609 -10.296 2.930 6.588 1.00 0.00 N ATOM 1595 CA LEU A 609 -10.771 1.704 7.193 1.00 0.00 C ATOM 1596 C LEU A 609 -9.970 1.452 8.453 1.00 0.00 C ATOM 1597 O LEU A 609 -8.768 1.725 8.477 1.00 0.00 O ATOM 1598 CB LEU A 609 -10.558 0.537 6.230 1.00 0.00 C ATOM 1599 CG LEU A 609 -11.277 0.654 4.892 1.00 0.00 C ATOM 1600 CD1 LEU A 609 -10.753 -0.387 3.916 1.00 0.00 C ATOM 1601 CD2 LEU A 609 -12.768 0.487 5.094 1.00 0.00 C ATOM 0 H LEU A 609 -9.492 2.808 5.972 1.00 0.00 H new ATOM 0 HA LEU A 609 -11.833 1.793 7.423 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -9.489 0.434 6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -10.885 -0.380 6.720 1.00 0.00 H new ATOM 0 HG LEU A 609 -11.086 1.642 4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 609 -11.277 -0.290 2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 609 -9.685 -0.234 3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -10.921 -1.384 4.323 1.00 0.00 H new ATOM 0 HD21 LEU A 609 -13.277 0.572 4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -12.969 -0.493 5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 609 -13.133 1.262 5.768 1.00 0.00 H new ATOM 1613 N SER A 610 -10.594 0.948 9.501 1.00 0.00 N ATOM 1614 CA SER A 610 -9.877 0.523 10.678 1.00 0.00 C ATOM 1615 C SER A 610 -9.266 -0.836 10.426 1.00 0.00 C ATOM 1616 O SER A 610 -9.619 -1.511 9.454 1.00 0.00 O ATOM 1617 CB SER A 610 -10.812 0.458 11.884 1.00 0.00 C ATOM 1618 OG SER A 610 -12.028 -0.187 11.554 1.00 0.00 O ATOM 0 H SER A 610 -11.605 0.824 9.556 1.00 0.00 H new ATOM 0 HA SER A 610 -9.090 1.246 10.894 1.00 0.00 H new ATOM 0 HB2 SER A 610 -10.323 -0.077 12.698 1.00 0.00 H new ATOM 0 HB3 SER A 610 -11.018 1.466 12.243 1.00 0.00 H new ATOM 0 HG SER A 610 -12.607 -0.217 12.344 1.00 0.00 H new ATOM 1624 N ALA A 611 -8.363 -1.236 11.298 1.00 0.00 N ATOM 1625 CA ALA A 611 -7.705 -2.520 11.204 1.00 0.00 C ATOM 1626 C ALA A 611 -8.713 -3.655 11.067 1.00 0.00 C ATOM 1627 O ALA A 611 -8.458 -4.640 10.383 1.00 0.00 O ATOM 1628 CB ALA A 611 -6.847 -2.723 12.436 1.00 0.00 C ATOM 0 H ALA A 611 -8.064 -0.675 12.096 1.00 0.00 H new ATOM 0 HA ALA A 611 -7.081 -2.531 10.310 1.00 0.00 H new ATOM 0 HB1 ALA A 611 -6.346 -3.689 12.375 1.00 0.00 H new ATOM 0 HB2 ALA A 611 -6.101 -1.930 12.495 1.00 0.00 H new ATOM 0 HB3 ALA A 611 -7.476 -2.696 13.326 1.00 0.00 H new ATOM 1634 N GLU A 612 -9.850 -3.515 11.735 1.00 0.00 N ATOM 1635 CA GLU A 612 -10.870 -4.555 11.730 1.00 0.00 C ATOM 1636 C GLU A 612 -11.663 -4.556 10.419 1.00 0.00 C ATOM 1637 O GLU A 612 -12.143 -5.600 9.979 1.00 0.00 O ATOM 1638 CB GLU A 612 -11.808 -4.370 12.919 1.00 0.00 C ATOM 1639 CG GLU A 612 -11.088 -4.417 14.256 1.00 0.00 C ATOM 1640 CD GLU A 612 -10.347 -5.721 14.471 1.00 0.00 C ATOM 1641 OE1 GLU A 612 -9.169 -5.821 14.064 1.00 0.00 O ATOM 1642 OE2 GLU A 612 -10.942 -6.656 15.046 1.00 0.00 O ATOM 0 H GLU A 612 -10.089 -2.692 12.287 1.00 0.00 H new ATOM 0 HA GLU A 612 -10.370 -5.520 11.814 1.00 0.00 H new ATOM 0 HB2 GLU A 612 -12.323 -3.414 12.823 1.00 0.00 H new ATOM 0 HB3 GLU A 612 -12.572 -5.147 12.896 1.00 0.00 H new ATOM 0 HG2 GLU A 612 -10.382 -3.588 14.314 1.00 0.00 H new ATOM 0 HG3 GLU A 612 -11.811 -4.277 15.059 1.00 0.00 H new ATOM 1649 N GLU A 613 -11.786 -3.391 9.789 1.00 0.00 N ATOM 1650 CA GLU A 613 -12.505 -3.278 8.522 1.00 0.00 C ATOM 1651 C GLU A 613 -11.639 -3.770 7.373 1.00 0.00 C ATOM 1652 O GLU A 613 -12.142 -4.319 6.389 1.00 0.00 O ATOM 1653 CB GLU A 613 -12.899 -1.830 8.249 1.00 0.00 C ATOM 1654 CG GLU A 613 -13.771 -1.205 9.321 1.00 0.00 C ATOM 1655 CD GLU A 613 -14.069 0.248 9.034 1.00 0.00 C ATOM 1656 OE1 GLU A 613 -15.049 0.533 8.319 1.00 0.00 O ATOM 1657 OE2 GLU A 613 -13.309 1.110 9.521 1.00 0.00 O ATOM 0 H GLU A 613 -11.398 -2.513 10.134 1.00 0.00 H new ATOM 0 HA GLU A 613 -13.403 -3.891 8.597 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -11.993 -1.234 8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -13.426 -1.783 7.296 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -14.707 -1.759 9.395 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -13.273 -1.289 10.287 1.00 0.00 H new ATOM 1664 N ILE A 614 -10.336 -3.559 7.519 1.00 0.00 N ATOM 1665 CA ILE A 614 -9.356 -3.894 6.489 1.00 0.00 C ATOM 1666 C ILE A 614 -9.553 -5.304 5.901 1.00 0.00 C ATOM 1667 O ILE A 614 -9.778 -5.438 4.698 1.00 0.00 O ATOM 1668 CB ILE A 614 -7.921 -3.760 7.051 1.00 0.00 C ATOM 1669 CG1 ILE A 614 -7.557 -2.290 7.270 1.00 0.00 C ATOM 1670 CG2 ILE A 614 -6.922 -4.439 6.139 1.00 0.00 C ATOM 1671 CD1 ILE A 614 -6.170 -2.084 7.846 1.00 0.00 C ATOM 0 H ILE A 614 -9.926 -3.149 8.358 1.00 0.00 H new ATOM 0 HA ILE A 614 -9.509 -3.184 5.676 1.00 0.00 H new ATOM 0 HB ILE A 614 -7.886 -4.260 8.019 1.00 0.00 H new ATOM 0 HG12 ILE A 614 -7.628 -1.762 6.319 1.00 0.00 H new ATOM 0 HG13 ILE A 614 -8.289 -1.840 7.940 1.00 0.00 H new ATOM 0 HG21 ILE A 614 -5.920 -4.332 6.554 1.00 0.00 H new ATOM 0 HG22 ILE A 614 -7.168 -5.497 6.053 1.00 0.00 H new ATOM 0 HG23 ILE A 614 -6.958 -3.977 5.152 1.00 0.00 H new ATOM 0 HD11 ILE A 614 -5.984 -1.018 7.973 1.00 0.00 H new ATOM 0 HD12 ILE A 614 -6.100 -2.582 8.813 1.00 0.00 H new ATOM 0 HD13 ILE A 614 -5.428 -2.504 7.167 1.00 0.00 H new ATOM 1683 N PRO A 615 -9.512 -6.369 6.731 1.00 0.00 N ATOM 1684 CA PRO A 615 -9.624 -7.752 6.249 1.00 0.00 C ATOM 1685 C PRO A 615 -10.946 -8.024 5.549 1.00 0.00 C ATOM 1686 O PRO A 615 -11.012 -8.843 4.634 1.00 0.00 O ATOM 1687 CB PRO A 615 -9.511 -8.596 7.520 1.00 0.00 C ATOM 1688 CG PRO A 615 -9.833 -7.660 8.627 1.00 0.00 C ATOM 1689 CD PRO A 615 -9.339 -6.324 8.187 1.00 0.00 C ATOM 0 HA PRO A 615 -8.859 -7.976 5.506 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -10.204 -9.437 7.499 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -8.509 -9.011 7.632 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -10.906 -7.636 8.819 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -9.350 -7.970 9.554 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -9.913 -5.514 8.636 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -8.297 -6.168 8.465 1.00 0.00 H new ATOM 1697 N SER A 616 -11.989 -7.311 5.954 1.00 0.00 N ATOM 1698 CA SER A 616 -13.302 -7.475 5.350 1.00 0.00 C ATOM 1699 C SER A 616 -13.257 -7.015 3.896 1.00 0.00 C ATOM 1700 O SER A 616 -13.828 -7.649 3.009 1.00 0.00 O ATOM 1701 CB SER A 616 -14.347 -6.678 6.138 1.00 0.00 C ATOM 1702 OG SER A 616 -15.648 -6.857 5.606 1.00 0.00 O ATOM 0 H SER A 616 -11.950 -6.614 6.698 1.00 0.00 H new ATOM 0 HA SER A 616 -13.584 -8.528 5.376 1.00 0.00 H new ATOM 0 HB2 SER A 616 -14.334 -6.991 7.182 1.00 0.00 H new ATOM 0 HB3 SER A 616 -14.088 -5.619 6.120 1.00 0.00 H new ATOM 0 HG SER A 616 -16.291 -6.337 6.132 1.00 0.00 H new ATOM 1708 N ARG A 617 -12.544 -5.919 3.659 1.00 0.00 N ATOM 1709 CA ARG A 617 -12.344 -5.403 2.311 1.00 0.00 C ATOM 1710 C ARG A 617 -11.369 -6.285 1.540 1.00 0.00 C ATOM 1711 O ARG A 617 -11.561 -6.544 0.351 1.00 0.00 O ATOM 1712 CB ARG A 617 -11.845 -3.955 2.345 1.00 0.00 C ATOM 1713 CG ARG A 617 -12.943 -2.916 2.543 1.00 0.00 C ATOM 1714 CD ARG A 617 -13.674 -3.100 3.863 1.00 0.00 C ATOM 1715 NE ARG A 617 -14.607 -2.008 4.135 1.00 0.00 N ATOM 1716 CZ ARG A 617 -15.455 -1.981 5.163 1.00 0.00 C ATOM 1717 NH1 ARG A 617 -15.566 -3.027 5.974 1.00 0.00 N ATOM 1718 NH2 ARG A 617 -16.198 -0.904 5.367 1.00 0.00 N ATOM 0 H ARG A 617 -12.092 -5.368 4.389 1.00 0.00 H new ATOM 0 HA ARG A 617 -13.306 -5.417 1.798 1.00 0.00 H new ATOM 0 HB2 ARG A 617 -11.116 -3.853 3.149 1.00 0.00 H new ATOM 0 HB3 ARG A 617 -11.323 -3.741 1.412 1.00 0.00 H new ATOM 0 HG2 ARG A 617 -12.507 -1.918 2.507 1.00 0.00 H new ATOM 0 HG3 ARG A 617 -13.657 -2.982 1.722 1.00 0.00 H new ATOM 0 HD2 ARG A 617 -14.218 -4.044 3.846 1.00 0.00 H new ATOM 0 HD3 ARG A 617 -12.947 -3.165 4.673 1.00 0.00 H new ATOM 0 HE ARG A 617 -14.609 -1.214 3.495 1.00 0.00 H new ATOM 0 HH11 ARG A 617 -15.000 -3.860 5.813 1.00 0.00 H new ATOM 0 HH12 ARG A 617 -16.218 -2.997 6.758 1.00 0.00 H new ATOM 0 HH21 ARG A 617 -16.119 -0.104 4.740 1.00 0.00 H new ATOM 0 HH22 ARG A 617 -16.850 -0.875 6.151 1.00 0.00 H new ATOM 1732 N ILE A 618 -10.330 -6.751 2.233 1.00 0.00 N ATOM 1733 CA ILE A 618 -9.323 -7.616 1.627 1.00 0.00 C ATOM 1734 C ILE A 618 -9.963 -8.863 1.028 1.00 0.00 C ATOM 1735 O ILE A 618 -9.611 -9.276 -0.068 1.00 0.00 O ATOM 1736 CB ILE A 618 -8.249 -8.052 2.647 1.00 0.00 C ATOM 1737 CG1 ILE A 618 -7.468 -6.842 3.159 1.00 0.00 C ATOM 1738 CG2 ILE A 618 -7.303 -9.069 2.026 1.00 0.00 C ATOM 1739 CD1 ILE A 618 -6.378 -7.198 4.149 1.00 0.00 C ATOM 0 H ILE A 618 -10.165 -6.542 3.218 1.00 0.00 H new ATOM 0 HA ILE A 618 -8.846 -7.031 0.841 1.00 0.00 H new ATOM 0 HB ILE A 618 -8.753 -8.520 3.493 1.00 0.00 H new ATOM 0 HG12 ILE A 618 -7.021 -6.323 2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 618 -8.161 -6.145 3.630 1.00 0.00 H new ATOM 0 HG21 ILE A 618 -6.553 -9.364 2.760 1.00 0.00 H new ATOM 0 HG22 ILE A 618 -7.868 -9.946 1.711 1.00 0.00 H new ATOM 0 HG23 ILE A 618 -6.809 -8.626 1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 618 -5.866 -6.290 4.469 1.00 0.00 H new ATOM 0 HD12 ILE A 618 -6.820 -7.690 5.015 1.00 0.00 H new ATOM 0 HD13 ILE A 618 -5.662 -7.870 3.676 1.00 0.00 H new ATOM 1751 N GLN A 619 -10.909 -9.445 1.749 1.00 0.00 N ATOM 1752 CA GLN A 619 -11.598 -10.656 1.306 1.00 0.00 C ATOM 1753 C GLN A 619 -12.252 -10.476 -0.060 1.00 0.00 C ATOM 1754 O GLN A 619 -12.302 -11.410 -0.859 1.00 0.00 O ATOM 1755 CB GLN A 619 -12.633 -11.083 2.338 1.00 0.00 C ATOM 1756 CG GLN A 619 -12.010 -11.535 3.644 1.00 0.00 C ATOM 1757 CD GLN A 619 -11.167 -12.786 3.484 1.00 0.00 C ATOM 1758 OE1 GLN A 619 -11.669 -13.906 3.580 1.00 0.00 O ATOM 1759 NE2 GLN A 619 -9.877 -12.604 3.250 1.00 0.00 N ATOM 0 H GLN A 619 -11.223 -9.096 2.655 1.00 0.00 H new ATOM 0 HA GLN A 619 -10.848 -11.440 1.206 1.00 0.00 H new ATOM 0 HB2 GLN A 619 -13.310 -10.251 2.533 1.00 0.00 H new ATOM 0 HB3 GLN A 619 -13.235 -11.894 1.928 1.00 0.00 H new ATOM 0 HG2 GLN A 619 -11.391 -10.732 4.044 1.00 0.00 H new ATOM 0 HG3 GLN A 619 -12.798 -11.723 4.373 1.00 0.00 H new ATOM 0 HE21 GLN A 619 -9.500 -11.659 3.177 1.00 0.00 H new ATOM 0 HE22 GLN A 619 -9.260 -13.409 3.142 1.00 0.00 H new ATOM 1768 N ALA A 620 -12.730 -9.275 -0.333 1.00 0.00 N ATOM 1769 CA ALA A 620 -13.439 -8.994 -1.575 1.00 0.00 C ATOM 1770 C ALA A 620 -12.458 -8.757 -2.714 1.00 0.00 C ATOM 1771 O ALA A 620 -12.651 -9.246 -3.828 1.00 0.00 O ATOM 1772 CB ALA A 620 -14.348 -7.787 -1.398 1.00 0.00 C ATOM 0 H ALA A 620 -12.641 -8.473 0.291 1.00 0.00 H new ATOM 0 HA ALA A 620 -14.050 -9.860 -1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 620 -14.873 -7.586 -2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 620 -15.074 -7.991 -0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 620 -13.750 -6.918 -1.124 1.00 0.00 H new ATOM 1778 N ILE A 621 -11.398 -8.012 -2.423 1.00 0.00 N ATOM 1779 CA ILE A 621 -10.361 -7.743 -3.408 1.00 0.00 C ATOM 1780 C ILE A 621 -9.480 -8.972 -3.581 1.00 0.00 C ATOM 1781 O ILE A 621 -8.643 -9.041 -4.482 1.00 0.00 O ATOM 1782 CB ILE A 621 -9.493 -6.527 -3.014 1.00 0.00 C ATOM 1783 CG1 ILE A 621 -8.834 -6.741 -1.650 1.00 0.00 C ATOM 1784 CG2 ILE A 621 -10.340 -5.265 -2.991 1.00 0.00 C ATOM 1785 CD1 ILE A 621 -7.916 -5.612 -1.236 1.00 0.00 C ATOM 0 H ILE A 621 -11.235 -7.584 -1.512 1.00 0.00 H new ATOM 0 HA ILE A 621 -10.854 -7.506 -4.351 1.00 0.00 H new ATOM 0 HB ILE A 621 -8.706 -6.416 -3.760 1.00 0.00 H new ATOM 0 HG12 ILE A 621 -9.611 -6.861 -0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 621 -8.265 -7.671 -1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 621 -9.718 -4.414 -2.712 1.00 0.00 H new ATOM 0 HG22 ILE A 621 -10.766 -5.094 -3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 621 -11.144 -5.380 -2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 621 -7.485 -5.833 -0.260 1.00 0.00 H new ATOM 0 HD12 ILE A 621 -7.117 -5.505 -1.970 1.00 0.00 H new ATOM 0 HD13 ILE A 621 -8.484 -4.683 -1.180 1.00 0.00 H new ATOM 1797 N THR A 622 -9.688 -9.940 -2.705 1.00 0.00 N ATOM 1798 CA THR A 622 -8.985 -11.191 -2.741 1.00 0.00 C ATOM 1799 C THR A 622 -9.562 -12.099 -3.830 1.00 0.00 C ATOM 1800 O THR A 622 -10.765 -12.371 -3.863 1.00 0.00 O ATOM 1801 CB THR A 622 -9.059 -11.857 -1.350 1.00 0.00 C ATOM 1802 OG1 THR A 622 -8.017 -11.349 -0.508 1.00 0.00 O ATOM 1803 CG2 THR A 622 -8.974 -13.359 -1.434 1.00 0.00 C ATOM 0 H THR A 622 -10.361 -9.869 -1.942 1.00 0.00 H new ATOM 0 HA THR A 622 -7.938 -11.016 -2.987 1.00 0.00 H new ATOM 0 HB THR A 622 -10.030 -11.611 -0.919 1.00 0.00 H new ATOM 0 HG1 THR A 622 -8.196 -10.409 -0.297 1.00 0.00 H new ATOM 0 HG21 THR A 622 -9.030 -13.783 -0.432 1.00 0.00 H new ATOM 0 HG22 THR A 622 -9.801 -13.737 -2.035 1.00 0.00 H new ATOM 0 HG23 THR A 622 -8.029 -13.645 -1.896 1.00 0.00 H new ATOM 1811 N GLY A 623 -8.698 -12.532 -4.740 1.00 0.00 N ATOM 1812 CA GLY A 623 -9.124 -13.390 -5.826 1.00 0.00 C ATOM 1813 C GLY A 623 -9.398 -14.807 -5.370 1.00 0.00 C ATOM 1814 O GLY A 623 -10.551 -15.228 -5.291 1.00 0.00 O ATOM 0 H GLY A 623 -7.704 -12.302 -4.744 1.00 0.00 H new ATOM 0 HA2 GLY A 623 -10.025 -12.977 -6.280 1.00 0.00 H new ATOM 0 HA3 GLY A 623 -8.355 -13.402 -6.598 1.00 0.00 H new ATOM 1818 N SER A 624 -8.338 -15.541 -5.073 1.00 0.00 N ATOM 1819 CA SER A 624 -8.466 -16.914 -4.619 1.00 0.00 C ATOM 1820 C SER A 624 -8.582 -16.959 -3.097 1.00 0.00 C ATOM 1821 O SER A 624 -9.719 -16.904 -2.584 1.00 0.00 O ATOM 1822 CB SER A 624 -7.260 -17.731 -5.086 1.00 0.00 C ATOM 1823 OG SER A 624 -7.035 -17.552 -6.475 1.00 0.00 O ATOM 1824 OXT SER A 624 -7.534 -17.040 -2.422 1.00 0.00 O ATOM 0 H SER A 624 -7.377 -15.206 -5.139 1.00 0.00 H new ATOM 0 HA SER A 624 -9.371 -17.346 -5.047 1.00 0.00 H new ATOM 0 HB2 SER A 624 -6.373 -17.430 -4.528 1.00 0.00 H new ATOM 0 HB3 SER A 624 -7.427 -18.787 -4.874 1.00 0.00 H new ATOM 0 HG SER A 624 -6.258 -18.082 -6.752 1.00 0.00 H new TER 1830 SER A 624