USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 822 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 555 THR OG1 : rot 180:sc= 0.0966 USER MOD Set 1.2: A 556 SER OG : rot 180:sc=0.000575 USER MOD Single : A 533 THR OG1 : rot 180:sc= 0.18 USER MOD Single : A 536 CYS SG : rot 180:sc= 0 USER MOD Single : A 538 THR OG1 : rot 180:sc=-0.00333 USER MOD Single : A 540 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.21) USER MOD Single : A 542 SER OG : rot 180:sc= 0 USER MOD Single : A 544 SER OG : rot 180:sc= 0.0165 USER MOD Single : A 548 MET CE :methyl 142:sc= -0.551 (180deg=-4.07!) USER MOD Single : A 551 LYS NZ :NH3+ -150:sc= 0.558 (180deg=0.418) USER MOD Single : A 561 THR OG1 : rot 103:sc= 1.23 USER MOD Single : A 568 THR OG1 : rot -150:sc= 0.654 USER MOD Single : A 572 THR OG1 : rot 180:sc= 0 USER MOD Single : A 574 LYS NZ :NH3+ 147:sc= 0.273 (180deg=-0.757) USER MOD Single : A 584 TYR OH : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ 170:sc= 0.757 (180deg=0.597) USER MOD Single : A 591 ASN : amide:sc= 0.193 X(o=0.19,f=0) USER MOD Single : A 594 THR OG1 : rot 180:sc= 0 USER MOD Single : A 596 LYS NZ :NH3+ 177:sc= 0.527 (180deg=0.524) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 601 LYS NZ :NH3+ -143:sc= 0.627 (180deg=-0.551!) USER MOD Single : A 613 ASN : amide:sc= -0.211 K(o=-0.21,f=-3.6!) USER MOD Single : A 622 LYS NZ :NH3+ -163:sc= 1.22 (180deg=1.18) USER MOD Single : A 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 657 HIS : no HE2:sc= -0.963! C(o=-0.96!,f=-4.8!) USER MOD Single : A 659 LYS NZ :NH3+ 165:sc= -0.0213 (180deg=-0.196) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 529 10.806 -18.470 1.960 1.00 0.00 N ATOM 19 CA ALA A 529 11.331 -19.769 1.552 1.00 0.00 C ATOM 20 C ALA A 529 10.886 -20.069 0.108 1.00 0.00 C ATOM 21 O ALA A 529 9.751 -19.792 -0.279 1.00 0.00 O ATOM 22 CB ALA A 529 10.874 -20.833 2.483 1.00 0.00 C ATOM 0 HA ALA A 529 12.420 -19.745 1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 529 11.276 -21.794 2.162 1.00 0.00 H new ATOM 0 HB2 ALA A 529 11.226 -20.611 3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 529 9.785 -20.876 2.480 1.00 0.00 H new ATOM 28 N GLY A 530 11.821 -20.547 -0.700 1.00 0.00 N ATOM 29 CA GLY A 530 11.602 -20.631 -2.132 1.00 0.00 C ATOM 30 C GLY A 530 10.523 -21.549 -2.658 1.00 0.00 C ATOM 31 O GLY A 530 10.112 -22.508 -2.020 1.00 0.00 O ATOM 0 H GLY A 530 12.733 -20.880 -0.388 1.00 0.00 H new ATOM 0 HA2 GLY A 530 11.381 -19.625 -2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 530 12.543 -20.933 -2.591 1.00 0.00 H new ATOM 35 N ILE A 531 10.123 -21.242 -3.882 1.00 0.00 N ATOM 36 CA ILE A 531 9.197 -22.053 -4.661 1.00 0.00 C ATOM 37 C ILE A 531 9.954 -23.311 -5.063 1.00 0.00 C ATOM 38 O ILE A 531 11.134 -23.219 -5.414 1.00 0.00 O ATOM 39 CB ILE A 531 8.734 -21.260 -5.946 1.00 0.00 C ATOM 40 CG1 ILE A 531 7.405 -20.531 -5.676 1.00 0.00 C ATOM 41 CG2 ILE A 531 8.568 -22.174 -7.174 1.00 0.00 C ATOM 42 CD1 ILE A 531 7.515 -19.319 -4.732 1.00 0.00 C ATOM 0 H ILE A 531 10.439 -20.405 -4.373 1.00 0.00 H new ATOM 0 HA ILE A 531 8.305 -22.300 -4.085 1.00 0.00 H new ATOM 0 HB ILE A 531 9.520 -20.538 -6.168 1.00 0.00 H new ATOM 0 HG12 ILE A 531 6.990 -20.197 -6.627 1.00 0.00 H new ATOM 0 HG13 ILE A 531 6.696 -21.242 -5.251 1.00 0.00 H new ATOM 0 HG21 ILE A 531 8.249 -21.579 -8.030 1.00 0.00 H new ATOM 0 HG22 ILE A 531 9.520 -22.655 -7.401 1.00 0.00 H new ATOM 0 HG23 ILE A 531 7.818 -22.936 -6.962 1.00 0.00 H new ATOM 0 HD11 ILE A 531 6.531 -18.870 -4.601 1.00 0.00 H new ATOM 0 HD12 ILE A 531 7.897 -19.645 -3.765 1.00 0.00 H new ATOM 0 HD13 ILE A 531 8.195 -18.584 -5.162 1.00 0.00 H new ATOM 54 N PHE A 532 9.282 -24.455 -5.041 1.00 0.00 N ATOM 55 CA PHE A 532 9.867 -25.721 -5.493 1.00 0.00 C ATOM 56 C PHE A 532 9.144 -26.212 -6.723 1.00 0.00 C ATOM 57 O PHE A 532 7.914 -26.200 -6.780 1.00 0.00 O ATOM 58 CB PHE A 532 9.776 -26.769 -4.404 1.00 0.00 C ATOM 59 CG PHE A 532 10.603 -26.441 -3.217 1.00 0.00 C ATOM 60 CD1 PHE A 532 10.079 -25.665 -2.170 1.00 0.00 C ATOM 61 CD2 PHE A 532 11.936 -26.869 -3.150 1.00 0.00 C ATOM 62 CE1 PHE A 532 10.881 -25.315 -1.074 1.00 0.00 C ATOM 63 CE2 PHE A 532 12.739 -26.532 -2.054 1.00 0.00 C ATOM 64 CZ PHE A 532 12.215 -25.751 -1.015 1.00 0.00 C ATOM 0 H PHE A 532 8.320 -24.537 -4.712 1.00 0.00 H new ATOM 0 HA PHE A 532 10.917 -25.549 -5.731 1.00 0.00 H new ATOM 0 HB2 PHE A 532 8.736 -26.877 -4.097 1.00 0.00 H new ATOM 0 HB3 PHE A 532 10.092 -27.732 -4.806 1.00 0.00 H new ATOM 0 HD1 PHE A 532 9.051 -25.336 -2.209 1.00 0.00 H new ATOM 0 HD2 PHE A 532 12.348 -27.464 -3.952 1.00 0.00 H new ATOM 0 HE1 PHE A 532 10.474 -24.711 -0.277 1.00 0.00 H new ATOM 0 HE2 PHE A 532 13.762 -26.874 -2.009 1.00 0.00 H new ATOM 0 HZ PHE A 532 12.835 -25.485 -0.172 1.00 0.00 H new ATOM 74 N THR A 533 9.907 -26.599 -7.726 1.00 0.00 N ATOM 75 CA THR A 533 9.351 -26.956 -9.020 1.00 0.00 C ATOM 76 C THR A 533 10.350 -27.886 -9.700 1.00 0.00 C ATOM 77 O THR A 533 11.504 -27.952 -9.287 1.00 0.00 O ATOM 78 CB THR A 533 9.115 -25.659 -9.849 1.00 0.00 C ATOM 79 OG1 THR A 533 8.441 -25.962 -11.071 1.00 0.00 O ATOM 80 CG2 THR A 533 10.416 -24.956 -10.163 1.00 0.00 C ATOM 0 H THR A 533 10.923 -26.675 -7.670 1.00 0.00 H new ATOM 0 HA THR A 533 8.391 -27.464 -8.925 1.00 0.00 H new ATOM 0 HB THR A 533 8.498 -24.996 -9.242 1.00 0.00 H new ATOM 0 HG1 THR A 533 8.299 -25.136 -11.580 1.00 0.00 H new ATOM 0 HG21 THR A 533 10.212 -24.055 -10.742 1.00 0.00 H new ATOM 0 HG22 THR A 533 10.916 -24.684 -9.233 1.00 0.00 H new ATOM 0 HG23 THR A 533 11.059 -25.621 -10.740 1.00 0.00 H new ATOM 88 N PHE A 534 9.913 -28.604 -10.721 1.00 0.00 N ATOM 89 CA PHE A 534 10.785 -29.484 -11.486 1.00 0.00 C ATOM 90 C PHE A 534 11.162 -28.773 -12.768 1.00 0.00 C ATOM 91 O PHE A 534 10.620 -27.716 -13.095 1.00 0.00 O ATOM 92 CB PHE A 534 10.082 -30.800 -11.845 1.00 0.00 C ATOM 93 CG PHE A 534 9.809 -31.708 -10.674 1.00 0.00 C ATOM 94 CD1 PHE A 534 10.265 -31.442 -9.370 1.00 0.00 C ATOM 95 CD2 PHE A 534 9.081 -32.869 -10.903 1.00 0.00 C ATOM 96 CE1 PHE A 534 9.956 -32.329 -8.309 1.00 0.00 C ATOM 97 CE2 PHE A 534 8.776 -33.766 -9.865 1.00 0.00 C ATOM 98 CZ PHE A 534 9.200 -33.492 -8.562 1.00 0.00 C ATOM 0 H PHE A 534 8.945 -28.594 -11.044 1.00 0.00 H new ATOM 0 HA PHE A 534 11.662 -29.719 -10.883 1.00 0.00 H new ATOM 0 HB2 PHE A 534 9.137 -30.569 -12.336 1.00 0.00 H new ATOM 0 HB3 PHE A 534 10.694 -31.337 -12.569 1.00 0.00 H new ATOM 0 HD1 PHE A 534 10.854 -30.557 -9.177 1.00 0.00 H new ATOM 0 HD2 PHE A 534 8.741 -33.088 -11.904 1.00 0.00 H new ATOM 0 HE1 PHE A 534 10.299 -32.114 -7.308 1.00 0.00 H new ATOM 0 HE2 PHE A 534 8.215 -34.665 -10.074 1.00 0.00 H new ATOM 0 HZ PHE A 534 8.951 -34.165 -7.755 1.00 0.00 H new ATOM 108 N GLU A 535 12.107 -29.373 -13.466 1.00 0.00 N ATOM 109 CA GLU A 535 12.637 -28.854 -14.726 1.00 0.00 C ATOM 110 C GLU A 535 11.655 -28.863 -15.893 1.00 0.00 C ATOM 111 O GLU A 535 11.590 -27.913 -16.666 1.00 0.00 O ATOM 112 CB GLU A 535 13.798 -29.750 -15.126 1.00 0.00 C ATOM 113 CG GLU A 535 15.088 -29.490 -14.379 1.00 0.00 C ATOM 114 CD GLU A 535 16.196 -30.410 -14.858 1.00 0.00 C ATOM 115 OE1 GLU A 535 15.979 -31.644 -14.863 1.00 0.00 O ATOM 116 OE2 GLU A 535 17.303 -29.926 -15.180 1.00 0.00 O ATOM 0 H GLU A 535 12.539 -30.250 -13.174 1.00 0.00 H new ATOM 0 HA GLU A 535 12.903 -27.813 -14.544 1.00 0.00 H new ATOM 0 HB2 GLU A 535 13.507 -30.789 -14.970 1.00 0.00 H new ATOM 0 HB3 GLU A 535 13.982 -29.628 -16.193 1.00 0.00 H new ATOM 0 HG2 GLU A 535 15.389 -28.452 -14.518 1.00 0.00 H new ATOM 0 HG3 GLU A 535 14.928 -29.635 -13.311 1.00 0.00 H new ATOM 123 N CYS A 536 10.963 -29.979 -16.063 1.00 0.00 N ATOM 124 CA CYS A 536 10.121 -30.209 -17.232 1.00 0.00 C ATOM 125 C CYS A 536 8.769 -30.728 -16.786 1.00 0.00 C ATOM 126 O CYS A 536 8.604 -31.102 -15.629 1.00 0.00 O ATOM 127 CB CYS A 536 10.781 -31.257 -18.141 1.00 0.00 C ATOM 128 SG CYS A 536 12.428 -30.786 -18.726 1.00 0.00 S ATOM 0 H CYS A 536 10.968 -30.751 -15.397 1.00 0.00 H new ATOM 0 HA CYS A 536 9.997 -29.273 -17.776 1.00 0.00 H new ATOM 0 HB2 CYS A 536 10.854 -32.200 -17.599 1.00 0.00 H new ATOM 0 HB3 CYS A 536 10.137 -31.434 -19.002 1.00 0.00 H new ATOM 0 HG CYS A 536 12.906 -31.729 -19.482 1.00 0.00 H new ATOM 134 N ASP A 537 7.834 -30.816 -17.723 1.00 0.00 N ATOM 135 CA ASP A 537 6.516 -31.385 -17.448 1.00 0.00 C ATOM 136 C ASP A 537 6.394 -32.791 -18.022 1.00 0.00 C ATOM 137 O ASP A 537 5.493 -33.523 -17.651 1.00 0.00 O ATOM 138 CB ASP A 537 5.425 -30.531 -18.098 1.00 0.00 C ATOM 139 CG ASP A 537 5.234 -29.199 -17.407 1.00 0.00 C ATOM 140 OD1 ASP A 537 4.965 -29.175 -16.187 1.00 0.00 O ATOM 141 OD2 ASP A 537 5.342 -28.155 -18.084 1.00 0.00 O ATOM 0 H ASP A 537 7.962 -30.500 -18.684 1.00 0.00 H new ATOM 0 HA ASP A 537 6.397 -31.412 -16.365 1.00 0.00 H new ATOM 0 HB2 ASP A 537 5.679 -30.359 -19.144 1.00 0.00 H new ATOM 0 HB3 ASP A 537 4.484 -31.080 -18.085 1.00 0.00 H new ATOM 146 N THR A 538 7.271 -33.150 -18.956 1.00 0.00 N ATOM 147 CA THR A 538 7.168 -34.393 -19.693 1.00 0.00 C ATOM 148 C THR A 538 8.568 -34.961 -19.932 1.00 0.00 C ATOM 149 O THR A 538 9.496 -34.244 -20.308 1.00 0.00 O ATOM 150 CB THR A 538 6.484 -34.147 -21.053 1.00 0.00 C ATOM 151 OG1 THR A 538 5.311 -33.354 -20.855 1.00 0.00 O ATOM 152 CG2 THR A 538 6.068 -35.447 -21.707 1.00 0.00 C ATOM 0 H THR A 538 8.075 -32.580 -19.219 1.00 0.00 H new ATOM 0 HA THR A 538 6.574 -35.100 -19.114 1.00 0.00 H new ATOM 0 HB THR A 538 7.199 -33.638 -21.699 1.00 0.00 H new ATOM 0 HG1 THR A 538 4.875 -33.194 -21.718 1.00 0.00 H new ATOM 0 HG21 THR A 538 5.589 -35.236 -22.663 1.00 0.00 H new ATOM 0 HG22 THR A 538 6.948 -36.070 -21.871 1.00 0.00 H new ATOM 0 HG23 THR A 538 5.367 -35.973 -21.058 1.00 0.00 H new ATOM 160 N ILE A 539 8.686 -36.248 -19.681 1.00 0.00 N ATOM 161 CA ILE A 539 9.919 -37.034 -19.829 1.00 0.00 C ATOM 162 C ILE A 539 9.558 -38.442 -20.347 1.00 0.00 C ATOM 163 O ILE A 539 8.417 -38.881 -20.223 1.00 0.00 O ATOM 164 CB ILE A 539 10.666 -37.124 -18.443 1.00 0.00 C ATOM 165 CG1 ILE A 539 12.101 -37.669 -18.598 1.00 0.00 C ATOM 166 CG2 ILE A 539 9.824 -37.921 -17.392 1.00 0.00 C ATOM 167 CD1 ILE A 539 12.325 -39.071 -18.022 1.00 0.00 C ATOM 0 H ILE A 539 7.900 -36.809 -19.354 1.00 0.00 H new ATOM 0 HA ILE A 539 10.585 -36.551 -20.544 1.00 0.00 H new ATOM 0 HB ILE A 539 10.769 -36.110 -18.056 1.00 0.00 H new ATOM 0 HG12 ILE A 539 12.356 -37.682 -19.658 1.00 0.00 H new ATOM 0 HG13 ILE A 539 12.791 -36.978 -18.113 1.00 0.00 H new ATOM 0 HG21 ILE A 539 10.367 -37.964 -16.448 1.00 0.00 H new ATOM 0 HG22 ILE A 539 8.868 -37.421 -17.238 1.00 0.00 H new ATOM 0 HG23 ILE A 539 9.650 -38.933 -17.757 1.00 0.00 H new ATOM 0 HD11 ILE A 539 13.362 -39.367 -18.179 1.00 0.00 H new ATOM 0 HD12 ILE A 539 12.107 -39.065 -16.954 1.00 0.00 H new ATOM 0 HD13 ILE A 539 11.666 -39.780 -18.523 1.00 0.00 H new ATOM 179 N HIS A 540 10.527 -39.148 -20.913 1.00 0.00 N ATOM 180 CA HIS A 540 10.360 -40.554 -21.291 1.00 0.00 C ATOM 181 C HIS A 540 11.492 -41.366 -20.683 1.00 0.00 C ATOM 182 O HIS A 540 12.655 -40.979 -20.807 1.00 0.00 O ATOM 183 CB HIS A 540 10.443 -40.726 -22.802 1.00 0.00 C ATOM 184 CG HIS A 540 9.127 -40.615 -23.498 1.00 0.00 C ATOM 185 ND1 HIS A 540 8.628 -41.600 -24.353 1.00 0.00 N ATOM 186 CD2 HIS A 540 8.170 -39.653 -23.481 1.00 0.00 C ATOM 187 CE1 HIS A 540 7.429 -41.224 -24.782 1.00 0.00 C ATOM 188 NE2 HIS A 540 7.141 -40.052 -24.278 1.00 0.00 N ATOM 0 H HIS A 540 11.450 -38.769 -21.125 1.00 0.00 H new ATOM 0 HA HIS A 540 9.385 -40.887 -20.934 1.00 0.00 H new ATOM 0 HB2 HIS A 540 11.121 -39.974 -23.206 1.00 0.00 H new ATOM 0 HB3 HIS A 540 10.879 -41.700 -23.023 1.00 0.00 H new ATOM 0 HD2 HIS A 540 8.217 -38.726 -22.928 1.00 0.00 H new ATOM 0 HE1 HIS A 540 6.793 -41.795 -25.442 1.00 0.00 H new ATOM 0 HE2 HIS A 540 6.286 -39.524 -24.453 1.00 0.00 H new ATOM 196 N VAL A 541 11.161 -42.495 -20.079 1.00 0.00 N ATOM 197 CA VAL A 541 12.176 -43.492 -19.672 1.00 0.00 C ATOM 198 C VAL A 541 11.812 -44.834 -20.290 1.00 0.00 C ATOM 199 O VAL A 541 10.801 -44.956 -20.959 1.00 0.00 O ATOM 200 CB VAL A 541 12.307 -43.667 -18.116 1.00 0.00 C ATOM 201 CG1 VAL A 541 12.761 -42.388 -17.466 1.00 0.00 C ATOM 202 CG2 VAL A 541 11.002 -44.146 -17.473 1.00 0.00 C ATOM 0 H VAL A 541 10.202 -42.757 -19.853 1.00 0.00 H new ATOM 0 HA VAL A 541 13.140 -43.126 -20.026 1.00 0.00 H new ATOM 0 HB VAL A 541 13.060 -44.438 -17.951 1.00 0.00 H new ATOM 0 HG11 VAL A 541 12.844 -42.536 -16.389 1.00 0.00 H new ATOM 0 HG12 VAL A 541 13.732 -42.100 -17.868 1.00 0.00 H new ATOM 0 HG13 VAL A 541 12.036 -41.600 -17.669 1.00 0.00 H new ATOM 0 HG21 VAL A 541 11.144 -44.252 -16.397 1.00 0.00 H new ATOM 0 HG22 VAL A 541 10.213 -43.419 -17.665 1.00 0.00 H new ATOM 0 HG23 VAL A 541 10.719 -45.109 -17.898 1.00 0.00 H new ATOM 212 N SER A 542 12.618 -45.842 -20.003 1.00 0.00 N ATOM 213 CA SER A 542 12.346 -47.220 -20.387 1.00 0.00 C ATOM 214 C SER A 542 12.599 -47.969 -19.091 1.00 0.00 C ATOM 215 O SER A 542 13.282 -47.429 -18.237 1.00 0.00 O ATOM 216 CB SER A 542 13.317 -47.669 -21.478 1.00 0.00 C ATOM 217 OG SER A 542 13.239 -46.803 -22.604 1.00 0.00 O ATOM 0 H SER A 542 13.492 -45.727 -19.490 1.00 0.00 H new ATOM 0 HA SER A 542 11.348 -47.381 -20.794 1.00 0.00 H new ATOM 0 HB2 SER A 542 14.334 -47.675 -21.087 1.00 0.00 H new ATOM 0 HB3 SER A 542 13.086 -48.690 -21.781 1.00 0.00 H new ATOM 0 HG SER A 542 13.868 -47.104 -23.292 1.00 0.00 H new ATOM 223 N GLU A 543 12.083 -49.175 -18.929 1.00 0.00 N ATOM 224 CA GLU A 543 12.270 -49.949 -17.695 1.00 0.00 C ATOM 225 C GLU A 543 13.752 -50.137 -17.377 1.00 0.00 C ATOM 226 O GLU A 543 14.208 -49.997 -16.236 1.00 0.00 O ATOM 227 CB GLU A 543 11.660 -51.336 -17.881 1.00 0.00 C ATOM 228 CG GLU A 543 10.171 -51.367 -18.173 1.00 0.00 C ATOM 229 CD GLU A 543 9.785 -52.616 -18.956 1.00 0.00 C ATOM 230 OE1 GLU A 543 10.014 -53.749 -18.473 1.00 0.00 O ATOM 231 OE2 GLU A 543 9.314 -52.450 -20.100 1.00 0.00 O ATOM 0 H GLU A 543 11.525 -49.650 -19.638 1.00 0.00 H new ATOM 0 HA GLU A 543 11.791 -49.404 -16.881 1.00 0.00 H new ATOM 0 HB2 GLU A 543 12.182 -51.836 -18.697 1.00 0.00 H new ATOM 0 HB3 GLU A 543 11.847 -51.919 -16.979 1.00 0.00 H new ATOM 0 HG2 GLU A 543 9.614 -51.336 -17.237 1.00 0.00 H new ATOM 0 HG3 GLU A 543 9.891 -50.479 -18.740 1.00 0.00 H new ATOM 238 N SER A 544 14.491 -50.416 -18.434 1.00 0.00 N ATOM 239 CA SER A 544 15.905 -50.761 -18.385 1.00 0.00 C ATOM 240 C SER A 544 16.825 -49.643 -17.918 1.00 0.00 C ATOM 241 O SER A 544 18.021 -49.850 -17.726 1.00 0.00 O ATOM 242 CB SER A 544 16.309 -51.203 -19.781 1.00 0.00 C ATOM 243 OG SER A 544 15.315 -52.064 -20.307 1.00 0.00 O ATOM 0 H SER A 544 14.115 -50.409 -19.382 1.00 0.00 H new ATOM 0 HA SER A 544 16.021 -51.547 -17.639 1.00 0.00 H new ATOM 0 HB2 SER A 544 16.433 -50.335 -20.428 1.00 0.00 H new ATOM 0 HB3 SER A 544 17.270 -51.716 -19.748 1.00 0.00 H new ATOM 0 HG SER A 544 15.573 -52.349 -21.208 1.00 0.00 H new ATOM 249 N ILE A 545 16.267 -48.462 -17.699 1.00 0.00 N ATOM 250 CA ILE A 545 17.019 -47.358 -17.137 1.00 0.00 C ATOM 251 C ILE A 545 17.422 -47.693 -15.697 1.00 0.00 C ATOM 252 O ILE A 545 18.408 -47.169 -15.168 1.00 0.00 O ATOM 253 CB ILE A 545 16.169 -46.066 -17.154 1.00 0.00 C ATOM 254 CG1 ILE A 545 17.088 -44.860 -16.948 1.00 0.00 C ATOM 255 CG2 ILE A 545 15.020 -46.137 -16.103 1.00 0.00 C ATOM 256 CD1 ILE A 545 16.374 -43.571 -16.790 1.00 0.00 C ATOM 0 H ILE A 545 15.291 -48.246 -17.904 1.00 0.00 H new ATOM 0 HA ILE A 545 17.914 -47.197 -17.738 1.00 0.00 H new ATOM 0 HB ILE A 545 15.681 -45.956 -18.123 1.00 0.00 H new ATOM 0 HG12 ILE A 545 17.702 -45.033 -16.064 1.00 0.00 H new ATOM 0 HG13 ILE A 545 17.766 -44.785 -17.798 1.00 0.00 H new ATOM 0 HG21 ILE A 545 14.439 -45.216 -16.137 1.00 0.00 H new ATOM 0 HG22 ILE A 545 14.372 -46.984 -16.329 1.00 0.00 H new ATOM 0 HG23 ILE A 545 15.445 -46.261 -15.107 1.00 0.00 H new ATOM 0 HD11 ILE A 545 17.098 -42.769 -16.649 1.00 0.00 H new ATOM 0 HD12 ILE A 545 15.781 -43.372 -17.683 1.00 0.00 H new ATOM 0 HD13 ILE A 545 15.717 -43.623 -15.922 1.00 0.00 H new ATOM 268 N GLY A 546 16.649 -48.554 -15.047 1.00 0.00 N ATOM 269 CA GLY A 546 16.936 -48.901 -13.674 1.00 0.00 C ATOM 270 C GLY A 546 16.294 -47.940 -12.707 1.00 0.00 C ATOM 271 O GLY A 546 15.459 -48.320 -11.904 1.00 0.00 O ATOM 0 H GLY A 546 15.832 -49.015 -15.447 1.00 0.00 H new ATOM 0 HA2 GLY A 546 16.580 -49.911 -13.473 1.00 0.00 H new ATOM 0 HA3 GLY A 546 18.015 -48.906 -13.519 1.00 0.00 H new ATOM 275 N VAL A 547 16.690 -46.680 -12.767 1.00 0.00 N ATOM 276 CA VAL A 547 16.133 -45.670 -11.877 1.00 0.00 C ATOM 277 C VAL A 547 16.091 -44.312 -12.572 1.00 0.00 C ATOM 278 O VAL A 547 17.072 -43.838 -13.137 1.00 0.00 O ATOM 279 CB VAL A 547 16.907 -45.635 -10.508 1.00 0.00 C ATOM 280 CG1 VAL A 547 18.411 -45.551 -10.699 1.00 0.00 C ATOM 281 CG2 VAL A 547 16.440 -44.493 -9.633 1.00 0.00 C ATOM 0 H VAL A 547 17.392 -46.331 -13.419 1.00 0.00 H new ATOM 0 HA VAL A 547 15.103 -45.936 -11.639 1.00 0.00 H new ATOM 0 HB VAL A 547 16.680 -46.577 -10.009 1.00 0.00 H new ATOM 0 HG11 VAL A 547 18.901 -45.529 -9.725 1.00 0.00 H new ATOM 0 HG12 VAL A 547 18.756 -46.420 -11.259 1.00 0.00 H new ATOM 0 HG13 VAL A 547 18.658 -44.643 -11.249 1.00 0.00 H new ATOM 0 HG21 VAL A 547 16.997 -44.501 -8.696 1.00 0.00 H new ATOM 0 HG22 VAL A 547 16.609 -43.547 -10.148 1.00 0.00 H new ATOM 0 HG23 VAL A 547 15.376 -44.607 -9.424 1.00 0.00 H new ATOM 291 N MET A 548 14.911 -43.717 -12.553 1.00 0.00 N ATOM 292 CA MET A 548 14.654 -42.426 -13.167 1.00 0.00 C ATOM 293 C MET A 548 14.988 -41.304 -12.188 1.00 0.00 C ATOM 294 O MET A 548 14.943 -41.514 -10.971 1.00 0.00 O ATOM 295 CB MET A 548 13.190 -42.348 -13.599 1.00 0.00 C ATOM 296 CG MET A 548 12.224 -41.846 -12.510 1.00 0.00 C ATOM 297 SD MET A 548 12.049 -40.055 -12.460 1.00 0.00 S ATOM 298 CE MET A 548 11.526 -39.708 -14.125 1.00 0.00 C ATOM 0 H MET A 548 14.091 -44.124 -12.103 1.00 0.00 H new ATOM 0 HA MET A 548 15.287 -42.311 -14.047 1.00 0.00 H new ATOM 0 HB2 MET A 548 13.115 -41.689 -14.464 1.00 0.00 H new ATOM 0 HB3 MET A 548 12.868 -43.337 -13.923 1.00 0.00 H new ATOM 0 HG2 MET A 548 11.243 -42.293 -12.674 1.00 0.00 H new ATOM 0 HG3 MET A 548 12.575 -42.194 -11.538 1.00 0.00 H new ATOM 0 HE1 MET A 548 10.782 -38.911 -14.114 1.00 0.00 H new ATOM 0 HE2 MET A 548 12.385 -39.395 -14.718 1.00 0.00 H new ATOM 0 HE3 MET A 548 11.090 -40.605 -14.564 1.00 0.00 H new ATOM 308 N GLU A 549 15.338 -40.132 -12.703 1.00 0.00 N ATOM 309 CA GLU A 549 15.572 -38.964 -11.854 1.00 0.00 C ATOM 310 C GLU A 549 14.946 -37.695 -12.400 1.00 0.00 C ATOM 311 O GLU A 549 14.966 -37.441 -13.604 1.00 0.00 O ATOM 312 CB GLU A 549 17.072 -38.708 -11.636 1.00 0.00 C ATOM 313 CG GLU A 549 17.430 -38.523 -10.186 1.00 0.00 C ATOM 314 CD GLU A 549 18.935 -38.403 -9.942 1.00 0.00 C ATOM 315 OE1 GLU A 549 19.672 -38.006 -10.867 1.00 0.00 O ATOM 316 OE2 GLU A 549 19.369 -38.644 -8.788 1.00 0.00 O ATOM 0 H GLU A 549 15.466 -39.962 -13.701 1.00 0.00 H new ATOM 0 HA GLU A 549 15.093 -39.207 -10.905 1.00 0.00 H new ATOM 0 HB2 GLU A 549 17.641 -39.545 -12.042 1.00 0.00 H new ATOM 0 HB3 GLU A 549 17.369 -37.820 -12.194 1.00 0.00 H new ATOM 0 HG2 GLU A 549 16.936 -37.628 -9.809 1.00 0.00 H new ATOM 0 HG3 GLU A 549 17.043 -39.366 -9.614 1.00 0.00 H new ATOM 323 N VAL A 550 14.448 -36.869 -11.490 1.00 0.00 N ATOM 324 CA VAL A 550 13.980 -35.526 -11.824 1.00 0.00 C ATOM 325 C VAL A 550 14.845 -34.604 -11.007 1.00 0.00 C ATOM 326 O VAL A 550 15.193 -34.930 -9.872 1.00 0.00 O ATOM 327 CB VAL A 550 12.460 -35.294 -11.478 1.00 0.00 C ATOM 328 CG1 VAL A 550 11.706 -36.573 -11.633 1.00 0.00 C ATOM 329 CG2 VAL A 550 12.252 -34.740 -10.055 1.00 0.00 C ATOM 0 H VAL A 550 14.356 -37.107 -10.503 1.00 0.00 H new ATOM 0 HA VAL A 550 14.055 -35.353 -12.898 1.00 0.00 H new ATOM 0 HB VAL A 550 12.083 -34.545 -12.175 1.00 0.00 H new ATOM 0 HG11 VAL A 550 10.656 -36.408 -11.393 1.00 0.00 H new ATOM 0 HG12 VAL A 550 11.792 -36.924 -12.661 1.00 0.00 H new ATOM 0 HG13 VAL A 550 12.119 -37.323 -10.958 1.00 0.00 H new ATOM 0 HG21 VAL A 550 11.187 -34.600 -9.871 1.00 0.00 H new ATOM 0 HG22 VAL A 550 12.656 -35.444 -9.328 1.00 0.00 H new ATOM 0 HG23 VAL A 550 12.766 -33.784 -9.958 1.00 0.00 H new ATOM 339 N LYS A 551 15.182 -33.450 -11.551 1.00 0.00 N ATOM 340 CA LYS A 551 15.897 -32.450 -10.770 1.00 0.00 C ATOM 341 C LYS A 551 14.855 -31.502 -10.219 1.00 0.00 C ATOM 342 O LYS A 551 13.961 -31.051 -10.939 1.00 0.00 O ATOM 343 CB LYS A 551 16.934 -31.697 -11.597 1.00 0.00 C ATOM 344 CG LYS A 551 17.919 -32.610 -12.317 1.00 0.00 C ATOM 345 CD LYS A 551 19.055 -31.809 -12.939 1.00 0.00 C ATOM 346 CE LYS A 551 19.633 -32.520 -14.161 1.00 0.00 C ATOM 347 NZ LYS A 551 18.668 -32.458 -15.316 1.00 0.00 N ATOM 0 H LYS A 551 14.978 -33.181 -12.514 1.00 0.00 H new ATOM 0 HA LYS A 551 16.457 -32.936 -9.971 1.00 0.00 H new ATOM 0 HB2 LYS A 551 16.420 -31.078 -12.333 1.00 0.00 H new ATOM 0 HB3 LYS A 551 17.487 -31.022 -10.944 1.00 0.00 H new ATOM 0 HG2 LYS A 551 18.325 -33.338 -11.615 1.00 0.00 H new ATOM 0 HG3 LYS A 551 17.399 -33.172 -13.093 1.00 0.00 H new ATOM 0 HD2 LYS A 551 18.691 -30.823 -13.228 1.00 0.00 H new ATOM 0 HD3 LYS A 551 19.841 -31.655 -12.200 1.00 0.00 H new ATOM 0 HE2 LYS A 551 20.578 -32.057 -14.445 1.00 0.00 H new ATOM 0 HE3 LYS A 551 19.848 -33.560 -13.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 551 18.789 -33.299 -15.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 551 17.694 -32.429 -14.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 551 18.854 -31.603 -15.878 1.00 0.00 H new ATOM 361 N VAL A 552 14.961 -31.229 -8.936 1.00 0.00 N ATOM 362 CA VAL A 552 14.049 -30.329 -8.251 1.00 0.00 C ATOM 363 C VAL A 552 14.790 -29.030 -8.004 1.00 0.00 C ATOM 364 O VAL A 552 15.863 -29.030 -7.395 1.00 0.00 O ATOM 365 CB VAL A 552 13.593 -30.889 -6.885 1.00 0.00 C ATOM 366 CG1 VAL A 552 12.337 -30.141 -6.414 1.00 0.00 C ATOM 367 CG2 VAL A 552 13.338 -32.406 -6.959 1.00 0.00 C ATOM 0 H VAL A 552 15.683 -31.625 -8.334 1.00 0.00 H new ATOM 0 HA VAL A 552 13.163 -30.194 -8.872 1.00 0.00 H new ATOM 0 HB VAL A 552 14.391 -30.732 -6.160 1.00 0.00 H new ATOM 0 HG11 VAL A 552 12.017 -30.538 -5.450 1.00 0.00 H new ATOM 0 HG12 VAL A 552 12.562 -29.079 -6.313 1.00 0.00 H new ATOM 0 HG13 VAL A 552 11.539 -30.274 -7.144 1.00 0.00 H new ATOM 0 HG21 VAL A 552 13.019 -32.769 -5.982 1.00 0.00 H new ATOM 0 HG22 VAL A 552 12.559 -32.609 -7.694 1.00 0.00 H new ATOM 0 HG23 VAL A 552 14.256 -32.915 -7.253 1.00 0.00 H new ATOM 377 N LEU A 553 14.247 -27.937 -8.510 1.00 0.00 N ATOM 378 CA LEU A 553 14.871 -26.636 -8.394 1.00 0.00 C ATOM 379 C LEU A 553 14.162 -25.832 -7.315 1.00 0.00 C ATOM 380 O LEU A 553 13.005 -26.108 -6.964 1.00 0.00 O ATOM 381 CB LEU A 553 14.778 -25.881 -9.725 1.00 0.00 C ATOM 382 CG LEU A 553 15.175 -26.599 -11.036 1.00 0.00 C ATOM 383 CD1 LEU A 553 16.477 -27.413 -10.930 1.00 0.00 C ATOM 384 CD2 LEU A 553 14.051 -27.453 -11.557 1.00 0.00 C ATOM 0 H LEU A 553 13.360 -27.929 -9.013 1.00 0.00 H new ATOM 0 HA LEU A 553 15.921 -26.770 -8.132 1.00 0.00 H new ATOM 0 HB2 LEU A 553 13.748 -25.542 -9.837 1.00 0.00 H new ATOM 0 HB3 LEU A 553 15.400 -24.990 -9.639 1.00 0.00 H new ATOM 0 HG LEU A 553 15.374 -25.803 -11.754 1.00 0.00 H new ATOM 0 HD11 LEU A 553 16.689 -27.887 -11.888 1.00 0.00 H new ATOM 0 HD12 LEU A 553 17.300 -26.750 -10.663 1.00 0.00 H new ATOM 0 HD13 LEU A 553 16.365 -28.180 -10.163 1.00 0.00 H new ATOM 0 HD21 LEU A 553 14.364 -27.943 -12.479 1.00 0.00 H new ATOM 0 HD22 LEU A 553 13.793 -28.208 -10.814 1.00 0.00 H new ATOM 0 HD23 LEU A 553 13.181 -26.827 -11.756 1.00 0.00 H new ATOM 396 N ARG A 554 14.850 -24.819 -6.822 1.00 0.00 N ATOM 397 CA ARG A 554 14.337 -23.936 -5.779 1.00 0.00 C ATOM 398 C ARG A 554 14.778 -22.522 -6.124 1.00 0.00 C ATOM 399 O ARG A 554 15.924 -22.303 -6.488 1.00 0.00 O ATOM 400 CB ARG A 554 14.905 -24.383 -4.432 1.00 0.00 C ATOM 401 CG ARG A 554 14.422 -23.627 -3.210 1.00 0.00 C ATOM 402 CD ARG A 554 15.252 -24.076 -2.006 1.00 0.00 C ATOM 403 NE ARG A 554 14.777 -23.510 -0.732 1.00 0.00 N ATOM 404 CZ ARG A 554 15.468 -23.508 0.405 1.00 0.00 C ATOM 405 NH1 ARG A 554 16.662 -24.017 0.505 1.00 0.00 N ATOM 406 NH2 ARG A 554 14.958 -22.966 1.470 1.00 0.00 N ATOM 0 H ARG A 554 15.791 -24.580 -7.135 1.00 0.00 H new ATOM 0 HA ARG A 554 13.249 -23.971 -5.714 1.00 0.00 H new ATOM 0 HB2 ARG A 554 14.669 -25.438 -4.296 1.00 0.00 H new ATOM 0 HB3 ARG A 554 15.991 -24.302 -4.476 1.00 0.00 H new ATOM 0 HG2 ARG A 554 14.526 -22.553 -3.363 1.00 0.00 H new ATOM 0 HG3 ARG A 554 13.364 -23.823 -3.036 1.00 0.00 H new ATOM 0 HD2 ARG A 554 15.231 -25.164 -1.943 1.00 0.00 H new ATOM 0 HD3 ARG A 554 16.291 -23.786 -2.160 1.00 0.00 H new ATOM 0 HE ARG A 554 13.849 -23.088 -0.720 1.00 0.00 H new ATOM 0 HH11 ARG A 554 17.106 -24.440 -0.310 1.00 0.00 H new ATOM 0 HH12 ARG A 554 17.154 -23.992 1.398 1.00 0.00 H new ATOM 0 HH21 ARG A 554 14.030 -22.544 1.433 1.00 0.00 H new ATOM 0 HH22 ARG A 554 15.485 -22.963 2.343 1.00 0.00 H new ATOM 420 N THR A 555 13.861 -21.571 -6.056 1.00 0.00 N ATOM 421 CA THR A 555 14.178 -20.181 -6.436 1.00 0.00 C ATOM 422 C THR A 555 15.057 -19.490 -5.370 1.00 0.00 C ATOM 423 O THR A 555 15.374 -20.078 -4.332 1.00 0.00 O ATOM 424 CB THR A 555 12.878 -19.357 -6.709 1.00 0.00 C ATOM 425 OG1 THR A 555 13.210 -18.156 -7.411 1.00 0.00 O ATOM 426 CG2 THR A 555 12.156 -18.965 -5.421 1.00 0.00 C ATOM 0 H THR A 555 12.900 -21.720 -5.747 1.00 0.00 H new ATOM 0 HA THR A 555 14.750 -20.220 -7.363 1.00 0.00 H new ATOM 0 HB THR A 555 12.217 -19.993 -7.298 1.00 0.00 H new ATOM 0 HG1 THR A 555 12.394 -17.641 -7.583 1.00 0.00 H new ATOM 0 HG21 THR A 555 11.260 -18.394 -5.665 1.00 0.00 H new ATOM 0 HG22 THR A 555 11.875 -19.864 -4.873 1.00 0.00 H new ATOM 0 HG23 THR A 555 12.817 -18.356 -4.804 1.00 0.00 H new ATOM 434 N SER A 556 15.393 -18.222 -5.603 1.00 0.00 N ATOM 435 CA SER A 556 16.241 -17.409 -4.707 1.00 0.00 C ATOM 436 C SER A 556 15.626 -17.111 -3.340 1.00 0.00 C ATOM 437 O SER A 556 16.243 -16.490 -2.467 1.00 0.00 O ATOM 438 CB SER A 556 16.559 -16.094 -5.403 1.00 0.00 C ATOM 439 OG SER A 556 15.353 -15.436 -5.752 1.00 0.00 O ATOM 0 H SER A 556 15.083 -17.714 -6.432 1.00 0.00 H new ATOM 0 HA SER A 556 17.134 -18.002 -4.510 1.00 0.00 H new ATOM 0 HB2 SER A 556 17.155 -15.459 -4.747 1.00 0.00 H new ATOM 0 HB3 SER A 556 17.156 -16.279 -6.296 1.00 0.00 H new ATOM 0 HG SER A 556 15.560 -14.589 -6.199 1.00 0.00 H new ATOM 445 N GLY A 557 14.463 -17.691 -3.127 1.00 0.00 N ATOM 446 CA GLY A 557 13.791 -17.691 -1.840 1.00 0.00 C ATOM 447 C GLY A 557 14.464 -18.647 -0.873 1.00 0.00 C ATOM 448 O GLY A 557 13.979 -18.919 0.198 1.00 0.00 O ATOM 0 H GLY A 557 13.947 -18.185 -3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 557 13.796 -16.684 -1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 557 12.747 -17.976 -1.971 1.00 0.00 H new ATOM 452 N ALA A 558 15.584 -19.207 -1.284 1.00 0.00 N ATOM 453 CA ALA A 558 16.295 -20.221 -0.503 1.00 0.00 C ATOM 454 C ALA A 558 16.984 -19.695 0.764 1.00 0.00 C ATOM 455 O ALA A 558 18.199 -19.765 0.906 1.00 0.00 O ATOM 456 CB ALA A 558 17.291 -20.918 -1.381 1.00 0.00 C ATOM 0 H ALA A 558 16.034 -18.977 -2.170 1.00 0.00 H new ATOM 0 HA ALA A 558 15.533 -20.914 -0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 558 17.821 -21.673 -0.801 1.00 0.00 H new ATOM 0 HB2 ALA A 558 16.772 -21.396 -2.212 1.00 0.00 H new ATOM 0 HB3 ALA A 558 18.005 -20.192 -1.769 1.00 0.00 H new ATOM 462 N ARG A 559 16.194 -19.181 1.686 1.00 0.00 N ATOM 463 CA ARG A 559 16.685 -18.694 2.957 1.00 0.00 C ATOM 464 C ARG A 559 16.357 -19.769 3.974 1.00 0.00 C ATOM 465 O ARG A 559 15.193 -20.084 4.210 1.00 0.00 O ATOM 466 CB ARG A 559 16.013 -17.359 3.308 1.00 0.00 C ATOM 467 CG ARG A 559 16.172 -16.263 2.222 1.00 0.00 C ATOM 468 CD ARG A 559 17.629 -16.016 1.779 1.00 0.00 C ATOM 469 NE ARG A 559 17.849 -16.456 0.386 1.00 0.00 N ATOM 470 CZ ARG A 559 19.034 -16.615 -0.198 1.00 0.00 C ATOM 471 NH1 ARG A 559 20.165 -16.378 0.422 1.00 0.00 N ATOM 472 NH2 ARG A 559 19.075 -17.017 -1.435 1.00 0.00 N ATOM 0 H ARG A 559 15.185 -19.090 1.572 1.00 0.00 H new ATOM 0 HA ARG A 559 17.758 -18.504 2.934 1.00 0.00 H new ATOM 0 HB2 ARG A 559 14.951 -17.534 3.479 1.00 0.00 H new ATOM 0 HB3 ARG A 559 16.431 -16.990 4.245 1.00 0.00 H new ATOM 0 HG2 ARG A 559 15.582 -16.544 1.350 1.00 0.00 H new ATOM 0 HG3 ARG A 559 15.756 -15.329 2.601 1.00 0.00 H new ATOM 0 HD2 ARG A 559 17.864 -14.955 1.869 1.00 0.00 H new ATOM 0 HD3 ARG A 559 18.309 -16.550 2.443 1.00 0.00 H new ATOM 0 HE ARG A 559 17.022 -16.655 -0.176 1.00 0.00 H new ATOM 0 HH11 ARG A 559 20.158 -16.058 1.391 1.00 0.00 H new ATOM 0 HH12 ARG A 559 21.051 -16.513 -0.064 1.00 0.00 H new ATOM 0 HH21 ARG A 559 18.208 -17.204 -1.939 1.00 0.00 H new ATOM 0 HH22 ARG A 559 19.974 -17.145 -1.900 1.00 0.00 H new ATOM 486 N GLY A 560 17.390 -20.375 4.520 1.00 0.00 N ATOM 487 CA GLY A 560 17.208 -21.457 5.467 1.00 0.00 C ATOM 488 C GLY A 560 16.983 -22.804 4.808 1.00 0.00 C ATOM 489 O GLY A 560 17.053 -22.941 3.577 1.00 0.00 O ATOM 0 H GLY A 560 18.363 -20.138 4.326 1.00 0.00 H new ATOM 0 HA2 GLY A 560 18.086 -21.518 6.110 1.00 0.00 H new ATOM 0 HA3 GLY A 560 16.357 -21.229 6.109 1.00 0.00 H new ATOM 493 N THR A 561 16.701 -23.795 5.636 1.00 0.00 N ATOM 494 CA THR A 561 16.498 -25.162 5.200 1.00 0.00 C ATOM 495 C THR A 561 15.021 -25.468 5.200 1.00 0.00 C ATOM 496 O THR A 561 14.301 -25.175 6.130 1.00 0.00 O ATOM 497 CB THR A 561 17.219 -26.176 6.123 1.00 0.00 C ATOM 498 OG1 THR A 561 18.627 -25.923 6.087 1.00 0.00 O ATOM 499 CG2 THR A 561 16.970 -27.601 5.712 1.00 0.00 C ATOM 0 H THR A 561 16.606 -23.669 6.644 1.00 0.00 H new ATOM 0 HA THR A 561 16.916 -25.258 4.198 1.00 0.00 H new ATOM 0 HB THR A 561 16.822 -26.045 7.130 1.00 0.00 H new ATOM 0 HG1 THR A 561 18.896 -25.455 6.905 1.00 0.00 H new ATOM 0 HG21 THR A 561 17.497 -28.273 6.390 1.00 0.00 H new ATOM 0 HG22 THR A 561 15.901 -27.810 5.752 1.00 0.00 H new ATOM 0 HG23 THR A 561 17.332 -27.755 4.695 1.00 0.00 H new ATOM 507 N VAL A 562 14.594 -26.063 4.117 1.00 0.00 N ATOM 508 CA VAL A 562 13.221 -26.502 3.898 1.00 0.00 C ATOM 509 C VAL A 562 13.308 -27.982 3.560 1.00 0.00 C ATOM 510 O VAL A 562 14.204 -28.385 2.842 1.00 0.00 O ATOM 511 CB VAL A 562 12.579 -25.732 2.708 1.00 0.00 C ATOM 512 CG1 VAL A 562 11.224 -26.316 2.311 1.00 0.00 C ATOM 513 CG2 VAL A 562 12.392 -24.262 3.058 1.00 0.00 C ATOM 0 H VAL A 562 15.208 -26.267 3.328 1.00 0.00 H new ATOM 0 HA VAL A 562 12.605 -26.316 4.778 1.00 0.00 H new ATOM 0 HB VAL A 562 13.263 -25.833 1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 562 10.813 -25.747 1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 562 11.350 -27.357 2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 562 10.541 -26.261 3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 562 11.942 -23.741 2.213 1.00 0.00 H new ATOM 0 HG22 VAL A 562 11.740 -24.175 3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 562 13.360 -23.816 3.285 1.00 0.00 H new ATOM 523 N ILE A 563 12.381 -28.778 4.062 1.00 0.00 N ATOM 524 CA ILE A 563 12.311 -30.188 3.724 1.00 0.00 C ATOM 525 C ILE A 563 11.108 -30.337 2.789 1.00 0.00 C ATOM 526 O ILE A 563 10.091 -29.657 2.981 1.00 0.00 O ATOM 527 CB ILE A 563 12.209 -31.064 5.008 1.00 0.00 C ATOM 528 CG1 ILE A 563 12.964 -32.374 4.809 1.00 0.00 C ATOM 529 CG2 ILE A 563 10.751 -31.374 5.406 1.00 0.00 C ATOM 530 CD1 ILE A 563 13.564 -32.898 6.075 1.00 0.00 C ATOM 0 H ILE A 563 11.659 -28.467 4.712 1.00 0.00 H new ATOM 0 HA ILE A 563 13.213 -30.538 3.223 1.00 0.00 H new ATOM 0 HB ILE A 563 12.656 -30.486 5.817 1.00 0.00 H new ATOM 0 HG12 ILE A 563 12.284 -33.121 4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 563 13.754 -32.224 4.073 1.00 0.00 H new ATOM 0 HG21 ILE A 563 10.742 -31.987 6.307 1.00 0.00 H new ATOM 0 HG22 ILE A 563 10.220 -30.441 5.596 1.00 0.00 H new ATOM 0 HG23 ILE A 563 10.259 -31.913 4.596 1.00 0.00 H new ATOM 0 HD11 ILE A 563 14.088 -33.832 5.870 1.00 0.00 H new ATOM 0 HD12 ILE A 563 14.267 -32.167 6.474 1.00 0.00 H new ATOM 0 HD13 ILE A 563 12.774 -33.078 6.805 1.00 0.00 H new ATOM 542 N VAL A 564 11.229 -31.144 1.747 1.00 0.00 N ATOM 543 CA VAL A 564 10.135 -31.317 0.784 1.00 0.00 C ATOM 544 C VAL A 564 9.905 -32.790 0.426 1.00 0.00 C ATOM 545 O VAL A 564 10.769 -33.426 -0.179 1.00 0.00 O ATOM 546 CB VAL A 564 10.390 -30.558 -0.553 1.00 0.00 C ATOM 547 CG1 VAL A 564 9.099 -30.539 -1.405 1.00 0.00 C ATOM 548 CG2 VAL A 564 10.850 -29.127 -0.291 1.00 0.00 C ATOM 0 H VAL A 564 12.066 -31.690 1.541 1.00 0.00 H new ATOM 0 HA VAL A 564 9.259 -30.906 1.286 1.00 0.00 H new ATOM 0 HB VAL A 564 11.178 -31.082 -1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 564 9.286 -30.007 -2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 564 8.794 -31.562 -1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 564 8.306 -30.035 -0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 564 11.021 -28.620 -1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 564 10.082 -28.595 0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 564 11.776 -29.142 0.284 1.00 0.00 H new ATOM 558 N PRO A 565 8.738 -33.348 0.781 1.00 0.00 N ATOM 559 CA PRO A 565 8.413 -34.707 0.343 1.00 0.00 C ATOM 560 C PRO A 565 8.008 -34.842 -1.101 1.00 0.00 C ATOM 561 O PRO A 565 7.498 -33.904 -1.707 1.00 0.00 O ATOM 562 CB PRO A 565 7.219 -35.081 1.236 1.00 0.00 C ATOM 563 CG PRO A 565 6.600 -33.812 1.587 1.00 0.00 C ATOM 564 CD PRO A 565 7.649 -32.762 1.582 1.00 0.00 C ATOM 0 HA PRO A 565 9.294 -35.343 0.427 1.00 0.00 H new ATOM 0 HB2 PRO A 565 6.519 -35.729 0.708 1.00 0.00 H new ATOM 0 HB3 PRO A 565 7.545 -35.621 2.125 1.00 0.00 H new ATOM 0 HG2 PRO A 565 5.812 -33.565 0.875 1.00 0.00 H new ATOM 0 HG3 PRO A 565 6.133 -33.877 2.570 1.00 0.00 H new ATOM 0 HD2 PRO A 565 7.283 -31.835 1.140 1.00 0.00 H new ATOM 0 HD3 PRO A 565 7.981 -32.525 2.593 1.00 0.00 H new ATOM 572 N PHE A 566 8.173 -36.050 -1.614 1.00 0.00 N ATOM 573 CA PHE A 566 7.726 -36.420 -2.939 1.00 0.00 C ATOM 574 C PHE A 566 7.143 -37.808 -2.851 1.00 0.00 C ATOM 575 O PHE A 566 7.392 -38.504 -1.868 1.00 0.00 O ATOM 576 CB PHE A 566 8.911 -36.454 -3.877 1.00 0.00 C ATOM 577 CG PHE A 566 9.972 -37.460 -3.485 1.00 0.00 C ATOM 578 CD1 PHE A 566 11.025 -37.088 -2.628 1.00 0.00 C ATOM 579 CD2 PHE A 566 9.933 -38.779 -3.980 1.00 0.00 C ATOM 580 CE1 PHE A 566 12.032 -38.020 -2.267 1.00 0.00 C ATOM 581 CE2 PHE A 566 10.934 -39.717 -3.623 1.00 0.00 C ATOM 582 CZ PHE A 566 11.985 -39.333 -2.771 1.00 0.00 C ATOM 0 H PHE A 566 8.629 -36.811 -1.110 1.00 0.00 H new ATOM 0 HA PHE A 566 6.991 -35.705 -3.307 1.00 0.00 H new ATOM 0 HB2 PHE A 566 8.560 -36.684 -4.883 1.00 0.00 H new ATOM 0 HB3 PHE A 566 9.361 -35.462 -3.915 1.00 0.00 H new ATOM 0 HD1 PHE A 566 11.067 -36.081 -2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 566 9.131 -39.078 -4.639 1.00 0.00 H new ATOM 0 HE1 PHE A 566 12.833 -37.722 -1.607 1.00 0.00 H new ATOM 0 HE2 PHE A 566 10.890 -40.726 -4.005 1.00 0.00 H new ATOM 0 HZ PHE A 566 12.753 -40.043 -2.504 1.00 0.00 H new ATOM 592 N ARG A 567 6.408 -38.220 -3.877 1.00 0.00 N ATOM 593 CA ARG A 567 5.884 -39.583 -3.962 1.00 0.00 C ATOM 594 C ARG A 567 5.500 -39.895 -5.403 1.00 0.00 C ATOM 595 O ARG A 567 5.144 -38.984 -6.157 1.00 0.00 O ATOM 596 CB ARG A 567 4.680 -39.749 -3.024 1.00 0.00 C ATOM 597 CG ARG A 567 3.481 -38.926 -3.408 1.00 0.00 C ATOM 598 CD ARG A 567 2.489 -39.760 -4.184 1.00 0.00 C ATOM 599 NE ARG A 567 1.603 -40.555 -3.306 1.00 0.00 N ATOM 600 CZ ARG A 567 1.710 -41.867 -3.080 1.00 0.00 C ATOM 601 NH1 ARG A 567 2.602 -42.613 -3.660 1.00 0.00 N ATOM 602 NH2 ARG A 567 0.895 -42.442 -2.243 1.00 0.00 N ATOM 0 H ARG A 567 6.159 -37.627 -4.668 1.00 0.00 H new ATOM 0 HA ARG A 567 6.655 -40.287 -3.647 1.00 0.00 H new ATOM 0 HB2 ARG A 567 4.393 -40.800 -3.002 1.00 0.00 H new ATOM 0 HB3 ARG A 567 4.982 -39.480 -2.012 1.00 0.00 H new ATOM 0 HG2 ARG A 567 3.006 -38.526 -2.512 1.00 0.00 H new ATOM 0 HG3 ARG A 567 3.796 -38.073 -4.009 1.00 0.00 H new ATOM 0 HD2 ARG A 567 1.882 -39.106 -4.810 1.00 0.00 H new ATOM 0 HD3 ARG A 567 3.029 -40.431 -4.853 1.00 0.00 H new ATOM 0 HE ARG A 567 0.847 -40.060 -2.833 1.00 0.00 H new ATOM 0 HH11 ARG A 567 3.260 -42.200 -4.321 1.00 0.00 H new ATOM 0 HH12 ARG A 567 2.644 -43.611 -3.454 1.00 0.00 H new ATOM 0 HH21 ARG A 567 0.182 -41.891 -1.766 1.00 0.00 H new ATOM 0 HH22 ARG A 567 0.970 -43.444 -2.065 1.00 0.00 H new ATOM 616 N THR A 568 5.555 -41.159 -5.779 1.00 0.00 N ATOM 617 CA THR A 568 5.238 -41.578 -7.140 1.00 0.00 C ATOM 618 C THR A 568 3.715 -41.699 -7.309 1.00 0.00 C ATOM 619 O THR A 568 3.018 -42.167 -6.424 1.00 0.00 O ATOM 620 CB THR A 568 5.930 -42.927 -7.413 1.00 0.00 C ATOM 621 OG1 THR A 568 7.293 -42.828 -7.012 1.00 0.00 O ATOM 622 CG2 THR A 568 5.957 -43.269 -8.838 1.00 0.00 C ATOM 0 H THR A 568 5.819 -41.923 -5.157 1.00 0.00 H new ATOM 0 HA THR A 568 5.597 -40.839 -7.856 1.00 0.00 H new ATOM 0 HB THR A 568 5.369 -43.685 -6.866 1.00 0.00 H new ATOM 0 HG1 THR A 568 7.841 -43.420 -7.568 1.00 0.00 H new ATOM 0 HG21 THR A 568 6.456 -44.229 -8.972 1.00 0.00 H new ATOM 0 HG22 THR A 568 4.937 -43.334 -9.216 1.00 0.00 H new ATOM 0 HG23 THR A 568 6.499 -42.499 -9.387 1.00 0.00 H new ATOM 630 N VAL A 569 3.208 -41.187 -8.417 1.00 0.00 N ATOM 631 CA VAL A 569 1.780 -41.101 -8.700 1.00 0.00 C ATOM 632 C VAL A 569 1.572 -41.645 -10.094 1.00 0.00 C ATOM 633 O VAL A 569 1.928 -41.006 -11.066 1.00 0.00 O ATOM 634 CB VAL A 569 1.289 -39.619 -8.725 1.00 0.00 C ATOM 635 CG1 VAL A 569 -0.221 -39.539 -9.047 1.00 0.00 C ATOM 636 CG2 VAL A 569 1.547 -38.928 -7.406 1.00 0.00 C ATOM 0 H VAL A 569 3.790 -40.809 -9.165 1.00 0.00 H new ATOM 0 HA VAL A 569 1.236 -41.649 -7.931 1.00 0.00 H new ATOM 0 HB VAL A 569 1.854 -39.113 -9.508 1.00 0.00 H new ATOM 0 HG11 VAL A 569 -0.536 -38.496 -9.058 1.00 0.00 H new ATOM 0 HG12 VAL A 569 -0.409 -39.985 -10.024 1.00 0.00 H new ATOM 0 HG13 VAL A 569 -0.784 -40.080 -8.287 1.00 0.00 H new ATOM 0 HG21 VAL A 569 1.193 -37.899 -7.459 1.00 0.00 H new ATOM 0 HG22 VAL A 569 1.018 -39.453 -6.611 1.00 0.00 H new ATOM 0 HG23 VAL A 569 2.616 -38.933 -7.196 1.00 0.00 H new ATOM 646 N GLU A 570 1.007 -42.821 -10.203 1.00 0.00 N ATOM 647 CA GLU A 570 0.702 -43.367 -11.511 1.00 0.00 C ATOM 648 C GLU A 570 -0.497 -42.642 -12.110 1.00 0.00 C ATOM 649 O GLU A 570 -1.317 -42.064 -11.393 1.00 0.00 O ATOM 650 CB GLU A 570 0.471 -44.871 -11.425 1.00 0.00 C ATOM 651 CG GLU A 570 -0.545 -45.331 -10.381 1.00 0.00 C ATOM 652 CD GLU A 570 -1.962 -45.488 -10.936 1.00 0.00 C ATOM 653 OE1 GLU A 570 -2.124 -45.808 -12.137 1.00 0.00 O ATOM 654 OE2 GLU A 570 -2.916 -45.300 -10.145 1.00 0.00 O ATOM 0 H GLU A 570 0.750 -43.416 -9.416 1.00 0.00 H new ATOM 0 HA GLU A 570 1.554 -43.210 -12.173 1.00 0.00 H new ATOM 0 HB2 GLU A 570 0.144 -45.225 -12.403 1.00 0.00 H new ATOM 0 HB3 GLU A 570 1.425 -45.354 -11.213 1.00 0.00 H new ATOM 0 HG2 GLU A 570 -0.219 -46.284 -9.964 1.00 0.00 H new ATOM 0 HG3 GLU A 570 -0.562 -44.613 -9.561 1.00 0.00 H new ATOM 661 N GLY A 571 -0.556 -42.647 -13.431 1.00 0.00 N ATOM 662 CA GLY A 571 -1.693 -42.095 -14.146 1.00 0.00 C ATOM 663 C GLY A 571 -2.449 -43.289 -14.654 1.00 0.00 C ATOM 664 O GLY A 571 -3.485 -43.654 -14.113 1.00 0.00 O ATOM 0 H GLY A 571 0.174 -43.029 -14.032 1.00 0.00 H new ATOM 0 HA2 GLY A 571 -2.314 -41.485 -13.490 1.00 0.00 H new ATOM 0 HA3 GLY A 571 -1.370 -41.454 -14.966 1.00 0.00 H new ATOM 668 N THR A 572 -1.893 -43.942 -15.663 1.00 0.00 N ATOM 669 CA THR A 572 -2.278 -45.316 -15.952 1.00 0.00 C ATOM 670 C THR A 572 -1.041 -46.212 -15.776 1.00 0.00 C ATOM 671 O THR A 572 -0.125 -46.192 -16.604 1.00 0.00 O ATOM 672 CB THR A 572 -2.955 -45.471 -17.353 1.00 0.00 C ATOM 673 OG1 THR A 572 -3.045 -46.857 -17.695 1.00 0.00 O ATOM 674 CG2 THR A 572 -2.202 -44.740 -18.457 1.00 0.00 C ATOM 0 H THR A 572 -1.186 -43.552 -16.286 1.00 0.00 H new ATOM 0 HA THR A 572 -3.047 -45.633 -15.247 1.00 0.00 H new ATOM 0 HB THR A 572 -3.946 -45.024 -17.275 1.00 0.00 H new ATOM 0 HG1 THR A 572 -3.471 -46.950 -18.573 1.00 0.00 H new ATOM 0 HG21 THR A 572 -2.718 -44.883 -19.406 1.00 0.00 H new ATOM 0 HG22 THR A 572 -2.158 -43.676 -18.225 1.00 0.00 H new ATOM 0 HG23 THR A 572 -1.190 -45.137 -18.531 1.00 0.00 H new ATOM 682 N ALA A 573 -1.047 -47.040 -14.741 1.00 0.00 N ATOM 683 CA ALA A 573 0.001 -48.040 -14.523 1.00 0.00 C ATOM 684 C ALA A 573 -0.561 -49.041 -13.529 1.00 0.00 C ATOM 685 O ALA A 573 -1.726 -48.929 -13.156 1.00 0.00 O ATOM 686 CB ALA A 573 1.271 -47.409 -13.979 1.00 0.00 C ATOM 0 H ALA A 573 -1.775 -47.042 -14.027 1.00 0.00 H new ATOM 0 HA ALA A 573 0.273 -48.518 -15.464 1.00 0.00 H new ATOM 0 HB1 ALA A 573 2.026 -48.181 -13.830 1.00 0.00 H new ATOM 0 HB2 ALA A 573 1.643 -46.670 -14.689 1.00 0.00 H new ATOM 0 HB3 ALA A 573 1.057 -46.922 -13.027 1.00 0.00 H new ATOM 692 N LYS A 574 0.237 -50.006 -13.087 1.00 0.00 N ATOM 693 CA LYS A 574 -0.247 -50.962 -12.104 1.00 0.00 C ATOM 694 C LYS A 574 0.149 -50.462 -10.703 1.00 0.00 C ATOM 695 O LYS A 574 -0.597 -50.613 -9.737 1.00 0.00 O ATOM 696 CB LYS A 574 0.314 -52.350 -12.362 1.00 0.00 C ATOM 697 CG LYS A 574 1.124 -52.522 -13.653 1.00 0.00 C ATOM 698 CD LYS A 574 0.307 -52.450 -14.916 1.00 0.00 C ATOM 699 CE LYS A 574 0.827 -53.470 -15.872 1.00 0.00 C ATOM 700 NZ LYS A 574 2.301 -53.284 -16.225 1.00 0.00 N ATOM 0 H LYS A 574 1.202 -50.145 -13.387 1.00 0.00 H new ATOM 0 HA LYS A 574 -1.332 -51.040 -12.177 1.00 0.00 H new ATOM 0 HB2 LYS A 574 0.949 -52.625 -11.520 1.00 0.00 H new ATOM 0 HB3 LYS A 574 -0.515 -53.057 -12.381 1.00 0.00 H new ATOM 0 HG2 LYS A 574 1.894 -51.752 -13.689 1.00 0.00 H new ATOM 0 HG3 LYS A 574 1.636 -53.484 -13.621 1.00 0.00 H new ATOM 0 HD2 LYS A 574 -0.745 -52.636 -14.698 1.00 0.00 H new ATOM 0 HD3 LYS A 574 0.371 -51.453 -15.353 1.00 0.00 H new ATOM 0 HE2 LYS A 574 0.688 -54.462 -15.443 1.00 0.00 H new ATOM 0 HE3 LYS A 574 0.236 -53.433 -16.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 574 2.739 -54.213 -16.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 574 2.382 -52.708 -17.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 574 2.788 -52.804 -15.441 1.00 0.00 H new ATOM 714 N GLY A 575 1.313 -49.823 -10.625 1.00 0.00 N ATOM 715 CA GLY A 575 1.792 -49.209 -9.393 1.00 0.00 C ATOM 716 C GLY A 575 2.314 -50.164 -8.334 1.00 0.00 C ATOM 717 O GLY A 575 2.365 -51.374 -8.517 1.00 0.00 O ATOM 0 H GLY A 575 1.950 -49.717 -11.415 1.00 0.00 H new ATOM 0 HA2 GLY A 575 2.587 -48.507 -9.645 1.00 0.00 H new ATOM 0 HA3 GLY A 575 0.978 -48.627 -8.960 1.00 0.00 H new ATOM 721 N GLY A 576 2.711 -49.611 -7.195 1.00 0.00 N ATOM 722 CA GLY A 576 3.182 -50.428 -6.090 1.00 0.00 C ATOM 723 C GLY A 576 4.620 -50.833 -6.297 1.00 0.00 C ATOM 724 O GLY A 576 5.513 -50.039 -6.055 1.00 0.00 O ATOM 0 H GLY A 576 2.716 -48.607 -7.015 1.00 0.00 H new ATOM 0 HA2 GLY A 576 3.087 -49.874 -5.156 1.00 0.00 H new ATOM 0 HA3 GLY A 576 2.559 -51.318 -5.998 1.00 0.00 H new ATOM 728 N GLY A 577 4.833 -52.074 -6.705 1.00 0.00 N ATOM 729 CA GLY A 577 6.153 -52.551 -7.088 1.00 0.00 C ATOM 730 C GLY A 577 6.121 -53.099 -8.501 1.00 0.00 C ATOM 731 O GLY A 577 6.973 -53.899 -8.858 1.00 0.00 O ATOM 0 H GLY A 577 4.098 -52.777 -6.780 1.00 0.00 H new ATOM 0 HA2 GLY A 577 6.875 -51.737 -7.022 1.00 0.00 H new ATOM 0 HA3 GLY A 577 6.482 -53.327 -6.397 1.00 0.00 H new ATOM 735 N GLU A 578 5.031 -52.840 -9.215 1.00 0.00 N ATOM 736 CA GLU A 578 4.705 -53.605 -10.422 1.00 0.00 C ATOM 737 C GLU A 578 5.144 -53.026 -11.779 1.00 0.00 C ATOM 738 O GLU A 578 5.638 -53.768 -12.604 1.00 0.00 O ATOM 739 CB GLU A 578 3.214 -53.874 -10.410 1.00 0.00 C ATOM 740 CG GLU A 578 2.773 -54.883 -11.437 1.00 0.00 C ATOM 741 CD GLU A 578 1.407 -55.506 -11.121 1.00 0.00 C ATOM 742 OE1 GLU A 578 1.207 -55.971 -9.972 1.00 0.00 O ATOM 743 OE2 GLU A 578 0.541 -55.552 -12.026 1.00 0.00 O ATOM 0 H GLU A 578 4.358 -52.110 -8.983 1.00 0.00 H new ATOM 0 HA GLU A 578 5.305 -54.513 -10.359 1.00 0.00 H new ATOM 0 HB2 GLU A 578 2.925 -54.227 -9.420 1.00 0.00 H new ATOM 0 HB3 GLU A 578 2.683 -52.938 -10.582 1.00 0.00 H new ATOM 0 HG2 GLU A 578 2.729 -54.402 -12.414 1.00 0.00 H new ATOM 0 HG3 GLU A 578 3.520 -55.674 -11.504 1.00 0.00 H new ATOM 750 N ASP A 579 5.020 -51.719 -11.996 1.00 0.00 N ATOM 751 CA ASP A 579 5.628 -51.085 -13.192 1.00 0.00 C ATOM 752 C ASP A 579 6.742 -50.144 -12.747 1.00 0.00 C ATOM 753 O ASP A 579 7.726 -49.908 -13.445 1.00 0.00 O ATOM 754 CB ASP A 579 4.602 -50.305 -13.992 1.00 0.00 C ATOM 755 CG ASP A 579 4.178 -49.055 -13.306 1.00 0.00 C ATOM 756 OD1 ASP A 579 3.533 -49.153 -12.233 1.00 0.00 O ATOM 757 OD2 ASP A 579 4.451 -47.964 -13.841 1.00 0.00 O ATOM 0 H ASP A 579 4.518 -51.079 -11.381 1.00 0.00 H new ATOM 0 HA ASP A 579 6.026 -51.873 -13.831 1.00 0.00 H new ATOM 0 HB2 ASP A 579 5.019 -50.057 -14.968 1.00 0.00 H new ATOM 0 HB3 ASP A 579 3.729 -50.933 -14.168 1.00 0.00 H new ATOM 762 N PHE A 580 6.636 -49.721 -11.504 1.00 0.00 N ATOM 763 CA PHE A 580 7.719 -49.038 -10.817 1.00 0.00 C ATOM 764 C PHE A 580 7.586 -49.375 -9.352 1.00 0.00 C ATOM 765 O PHE A 580 6.554 -49.890 -8.925 1.00 0.00 O ATOM 766 CB PHE A 580 7.618 -47.505 -10.998 1.00 0.00 C ATOM 767 CG PHE A 580 6.275 -46.922 -10.565 1.00 0.00 C ATOM 768 CD1 PHE A 580 5.889 -46.889 -9.207 1.00 0.00 C ATOM 769 CD2 PHE A 580 5.387 -46.415 -11.518 1.00 0.00 C ATOM 770 CE1 PHE A 580 4.627 -46.392 -8.814 1.00 0.00 C ATOM 771 CE2 PHE A 580 4.120 -45.915 -11.137 1.00 0.00 C ATOM 772 CZ PHE A 580 3.739 -45.910 -9.781 1.00 0.00 C ATOM 0 H PHE A 580 5.796 -49.840 -10.938 1.00 0.00 H new ATOM 0 HA PHE A 580 8.679 -49.356 -11.224 1.00 0.00 H new ATOM 0 HB2 PHE A 580 8.413 -47.027 -10.425 1.00 0.00 H new ATOM 0 HB3 PHE A 580 7.789 -47.260 -12.046 1.00 0.00 H new ATOM 0 HD1 PHE A 580 6.573 -47.251 -8.454 1.00 0.00 H new ATOM 0 HD2 PHE A 580 5.672 -46.405 -12.560 1.00 0.00 H new ATOM 0 HE1 PHE A 580 4.349 -46.384 -7.771 1.00 0.00 H new ATOM 0 HE2 PHE A 580 3.443 -45.536 -11.888 1.00 0.00 H new ATOM 0 HZ PHE A 580 2.768 -45.537 -9.490 1.00 0.00 H new ATOM 782 N GLU A 581 8.581 -48.994 -8.568 1.00 0.00 N ATOM 783 CA GLU A 581 8.456 -49.029 -7.110 1.00 0.00 C ATOM 784 C GLU A 581 8.015 -47.659 -6.622 1.00 0.00 C ATOM 785 O GLU A 581 8.599 -46.642 -7.001 1.00 0.00 O ATOM 786 CB GLU A 581 9.782 -49.405 -6.451 1.00 0.00 C ATOM 787 CG GLU A 581 10.166 -50.860 -6.661 1.00 0.00 C ATOM 788 CD GLU A 581 11.475 -51.225 -5.965 1.00 0.00 C ATOM 789 OE1 GLU A 581 12.256 -50.314 -5.618 1.00 0.00 O ATOM 790 OE2 GLU A 581 11.783 -52.436 -5.872 1.00 0.00 O ATOM 0 H GLU A 581 9.482 -48.658 -8.909 1.00 0.00 H new ATOM 0 HA GLU A 581 7.718 -49.784 -6.839 1.00 0.00 H new ATOM 0 HB2 GLU A 581 10.571 -48.767 -6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 581 9.718 -49.204 -5.382 1.00 0.00 H new ATOM 0 HG2 GLU A 581 9.368 -51.501 -6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 581 10.259 -51.058 -7.729 1.00 0.00 H new ATOM 797 N ASP A 582 6.957 -47.633 -5.817 1.00 0.00 N ATOM 798 CA ASP A 582 6.439 -46.382 -5.272 1.00 0.00 C ATOM 799 C ASP A 582 7.483 -45.779 -4.392 1.00 0.00 C ATOM 800 O ASP A 582 7.884 -46.310 -3.354 1.00 0.00 O ATOM 801 CB ASP A 582 5.164 -46.570 -4.486 1.00 0.00 C ATOM 802 CG ASP A 582 4.529 -45.243 -4.054 1.00 0.00 C ATOM 803 OD1 ASP A 582 5.014 -44.160 -4.469 1.00 0.00 O ATOM 804 OD2 ASP A 582 3.523 -45.279 -3.305 1.00 0.00 O ATOM 0 H ASP A 582 6.441 -48.464 -5.527 1.00 0.00 H new ATOM 0 HA ASP A 582 6.201 -45.726 -6.109 1.00 0.00 H new ATOM 0 HB2 ASP A 582 4.450 -47.129 -5.090 1.00 0.00 H new ATOM 0 HB3 ASP A 582 5.374 -47.172 -3.602 1.00 0.00 H new ATOM 809 N ALA A 583 7.981 -44.689 -4.906 1.00 0.00 N ATOM 810 CA ALA A 583 9.137 -44.048 -4.379 1.00 0.00 C ATOM 811 C ALA A 583 8.775 -42.727 -3.736 1.00 0.00 C ATOM 812 O ALA A 583 8.490 -41.735 -4.411 1.00 0.00 O ATOM 813 CB ALA A 583 10.106 -43.879 -5.465 1.00 0.00 C ATOM 0 H ALA A 583 7.582 -44.218 -5.718 1.00 0.00 H new ATOM 0 HA ALA A 583 9.582 -44.662 -3.596 1.00 0.00 H new ATOM 0 HB1 ALA A 583 11.001 -43.389 -5.081 1.00 0.00 H new ATOM 0 HB2 ALA A 583 10.373 -44.855 -5.870 1.00 0.00 H new ATOM 0 HB3 ALA A 583 9.667 -43.267 -6.253 1.00 0.00 H new ATOM 819 N TYR A 584 8.778 -42.726 -2.418 1.00 0.00 N ATOM 820 CA TYR A 584 8.429 -41.547 -1.656 1.00 0.00 C ATOM 821 C TYR A 584 9.431 -41.323 -0.547 1.00 0.00 C ATOM 822 O TYR A 584 9.919 -42.265 0.074 1.00 0.00 O ATOM 823 CB TYR A 584 7.013 -41.699 -1.094 1.00 0.00 C ATOM 824 CG TYR A 584 6.733 -43.052 -0.470 1.00 0.00 C ATOM 825 CD1 TYR A 584 7.044 -43.322 0.879 1.00 0.00 C ATOM 826 CD2 TYR A 584 6.146 -44.076 -1.240 1.00 0.00 C ATOM 827 CE1 TYR A 584 6.780 -44.604 1.441 1.00 0.00 C ATOM 828 CE2 TYR A 584 5.880 -45.350 -0.687 1.00 0.00 C ATOM 829 CZ TYR A 584 6.198 -45.606 0.648 1.00 0.00 C ATOM 830 OH TYR A 584 5.942 -46.839 1.191 1.00 0.00 O ATOM 0 H TYR A 584 9.021 -43.537 -1.849 1.00 0.00 H new ATOM 0 HA TYR A 584 8.452 -40.675 -2.309 1.00 0.00 H new ATOM 0 HB2 TYR A 584 6.847 -40.925 -0.345 1.00 0.00 H new ATOM 0 HB3 TYR A 584 6.296 -41.526 -1.896 1.00 0.00 H new ATOM 0 HD1 TYR A 584 7.486 -42.550 1.491 1.00 0.00 H new ATOM 0 HD2 TYR A 584 5.894 -43.884 -2.273 1.00 0.00 H new ATOM 0 HE1 TYR A 584 7.027 -44.805 2.473 1.00 0.00 H new ATOM 0 HE2 TYR A 584 5.432 -46.122 -1.295 1.00 0.00 H new ATOM 0 HH TYR A 584 5.537 -47.418 0.512 1.00 0.00 H new ATOM 840 N GLY A 585 9.757 -40.066 -0.309 1.00 0.00 N ATOM 841 CA GLY A 585 10.699 -39.735 0.741 1.00 0.00 C ATOM 842 C GLY A 585 10.717 -38.243 0.910 1.00 0.00 C ATOM 843 O GLY A 585 9.907 -37.557 0.296 1.00 0.00 O ATOM 0 H GLY A 585 9.388 -39.266 -0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 585 10.411 -40.219 1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 585 11.694 -40.100 0.486 1.00 0.00 H new ATOM 847 N GLU A 586 11.640 -37.737 1.712 1.00 0.00 N ATOM 848 CA GLU A 586 11.793 -36.300 1.895 1.00 0.00 C ATOM 849 C GLU A 586 13.176 -35.884 1.456 1.00 0.00 C ATOM 850 O GLU A 586 14.131 -36.651 1.541 1.00 0.00 O ATOM 851 CB GLU A 586 11.569 -35.885 3.350 1.00 0.00 C ATOM 852 CG GLU A 586 10.105 -35.842 3.716 1.00 0.00 C ATOM 853 CD GLU A 586 9.807 -34.980 4.929 1.00 0.00 C ATOM 854 OE1 GLU A 586 10.553 -35.014 5.925 1.00 0.00 O ATOM 855 OE2 GLU A 586 8.797 -34.240 4.872 1.00 0.00 O ATOM 0 H GLU A 586 12.298 -38.302 2.249 1.00 0.00 H new ATOM 0 HA GLU A 586 11.038 -35.801 1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 586 12.085 -36.584 4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 586 12.012 -34.903 3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 586 9.537 -35.466 2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 586 9.757 -36.857 3.908 1.00 0.00 H new ATOM 862 N LEU A 587 13.257 -34.659 0.971 1.00 0.00 N ATOM 863 CA LEU A 587 14.488 -34.084 0.471 1.00 0.00 C ATOM 864 C LEU A 587 14.747 -32.847 1.283 1.00 0.00 C ATOM 865 O LEU A 587 13.867 -32.001 1.406 1.00 0.00 O ATOM 866 CB LEU A 587 14.289 -33.649 -0.974 1.00 0.00 C ATOM 867 CG LEU A 587 13.797 -34.696 -1.970 1.00 0.00 C ATOM 868 CD1 LEU A 587 13.187 -33.966 -3.136 1.00 0.00 C ATOM 869 CD2 LEU A 587 14.899 -35.611 -2.445 1.00 0.00 C ATOM 0 H LEU A 587 12.458 -34.028 0.913 1.00 0.00 H new ATOM 0 HA LEU A 587 15.305 -34.803 0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 587 13.580 -32.821 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 587 15.238 -33.258 -1.340 1.00 0.00 H new ATOM 0 HG LEU A 587 13.065 -35.335 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 587 12.825 -34.688 -3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 587 12.355 -33.354 -2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 587 13.939 -33.327 -3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 587 14.492 -36.335 -3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 587 15.674 -35.023 -2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 587 15.328 -36.137 -1.592 1.00 0.00 H new ATOM 881 N GLU A 588 15.936 -32.708 1.824 1.00 0.00 N ATOM 882 CA GLU A 588 16.282 -31.505 2.547 1.00 0.00 C ATOM 883 C GLU A 588 16.937 -30.550 1.556 1.00 0.00 C ATOM 884 O GLU A 588 17.778 -30.931 0.751 1.00 0.00 O ATOM 885 CB GLU A 588 17.170 -31.832 3.766 1.00 0.00 C ATOM 886 CG GLU A 588 18.694 -31.819 3.554 1.00 0.00 C ATOM 887 CD GLU A 588 19.211 -32.864 2.554 1.00 0.00 C ATOM 888 OE1 GLU A 588 18.493 -33.826 2.212 1.00 0.00 O ATOM 889 OE2 GLU A 588 20.374 -32.706 2.122 1.00 0.00 O ATOM 0 H GLU A 588 16.676 -33.408 1.778 1.00 0.00 H new ATOM 0 HA GLU A 588 15.398 -31.023 2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 588 16.933 -31.119 4.556 1.00 0.00 H new ATOM 0 HB3 GLU A 588 16.889 -32.819 4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 588 18.991 -30.828 3.210 1.00 0.00 H new ATOM 0 HG3 GLU A 588 19.182 -31.982 4.515 1.00 0.00 H new ATOM 896 N PHE A 589 16.504 -29.308 1.590 1.00 0.00 N ATOM 897 CA PHE A 589 17.057 -28.270 0.731 1.00 0.00 C ATOM 898 C PHE A 589 17.599 -27.190 1.635 1.00 0.00 C ATOM 899 O PHE A 589 16.833 -26.523 2.327 1.00 0.00 O ATOM 900 CB PHE A 589 15.972 -27.632 -0.138 1.00 0.00 C ATOM 901 CG PHE A 589 15.456 -28.512 -1.238 1.00 0.00 C ATOM 902 CD1 PHE A 589 14.498 -29.514 -0.980 1.00 0.00 C ATOM 903 CD2 PHE A 589 15.875 -28.299 -2.567 1.00 0.00 C ATOM 904 CE1 PHE A 589 13.960 -30.279 -2.027 1.00 0.00 C ATOM 905 CE2 PHE A 589 15.332 -29.061 -3.620 1.00 0.00 C ATOM 906 CZ PHE A 589 14.372 -30.056 -3.340 1.00 0.00 C ATOM 0 H PHE A 589 15.761 -28.985 2.210 1.00 0.00 H new ATOM 0 HA PHE A 589 17.817 -28.708 0.084 1.00 0.00 H new ATOM 0 HB2 PHE A 589 15.137 -27.343 0.500 1.00 0.00 H new ATOM 0 HB3 PHE A 589 16.369 -26.717 -0.578 1.00 0.00 H new ATOM 0 HD1 PHE A 589 14.175 -29.695 0.034 1.00 0.00 H new ATOM 0 HD2 PHE A 589 16.619 -27.545 -2.780 1.00 0.00 H new ATOM 0 HE1 PHE A 589 13.225 -31.042 -1.815 1.00 0.00 H new ATOM 0 HE2 PHE A 589 15.649 -28.884 -4.637 1.00 0.00 H new ATOM 0 HZ PHE A 589 13.956 -30.646 -4.144 1.00 0.00 H new ATOM 916 N LYS A 590 18.898 -26.967 1.584 1.00 0.00 N ATOM 917 CA LYS A 590 19.545 -25.920 2.365 1.00 0.00 C ATOM 918 C LYS A 590 19.830 -24.760 1.419 1.00 0.00 C ATOM 919 O LYS A 590 19.481 -24.815 0.247 1.00 0.00 O ATOM 920 CB LYS A 590 20.831 -26.465 3.000 1.00 0.00 C ATOM 921 CG LYS A 590 20.615 -27.776 3.777 1.00 0.00 C ATOM 922 CD LYS A 590 21.907 -28.270 4.419 1.00 0.00 C ATOM 923 CE LYS A 590 21.819 -29.757 4.793 1.00 0.00 C ATOM 924 NZ LYS A 590 21.862 -30.644 3.569 1.00 0.00 N ATOM 0 H LYS A 590 19.539 -27.505 1.001 1.00 0.00 H new ATOM 0 HA LYS A 590 18.907 -25.577 3.180 1.00 0.00 H new ATOM 0 HB2 LYS A 590 21.572 -26.631 2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 590 21.242 -25.714 3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 590 19.861 -27.622 4.549 1.00 0.00 H new ATOM 0 HG3 LYS A 590 20.229 -28.540 3.102 1.00 0.00 H new ATOM 0 HD2 LYS A 590 22.738 -28.116 3.731 1.00 0.00 H new ATOM 0 HD3 LYS A 590 22.119 -27.681 5.312 1.00 0.00 H new ATOM 0 HE2 LYS A 590 22.643 -30.014 5.458 1.00 0.00 H new ATOM 0 HE3 LYS A 590 20.896 -29.940 5.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 21.971 -31.636 3.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 20.978 -30.537 3.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 22.667 -30.370 2.970 1.00 0.00 H new ATOM 938 N ASN A 591 20.440 -23.713 1.945 1.00 0.00 N ATOM 939 CA ASN A 591 20.739 -22.484 1.207 1.00 0.00 C ATOM 940 C ASN A 591 21.270 -22.630 -0.236 1.00 0.00 C ATOM 941 O ASN A 591 20.627 -22.160 -1.157 1.00 0.00 O ATOM 942 CB ASN A 591 21.756 -21.690 2.033 1.00 0.00 C ATOM 943 CG ASN A 591 22.042 -20.330 1.457 1.00 0.00 C ATOM 944 OD1 ASN A 591 23.159 -19.864 1.497 1.00 0.00 O ATOM 945 ND2 ASN A 591 21.040 -19.680 0.954 1.00 0.00 N ATOM 0 H ASN A 591 20.750 -23.686 2.916 1.00 0.00 H new ATOM 0 HA ASN A 591 19.778 -21.987 1.077 1.00 0.00 H new ATOM 0 HB2 ASN A 591 21.382 -21.577 3.050 1.00 0.00 H new ATOM 0 HB3 ASN A 591 22.686 -22.255 2.097 1.00 0.00 H new ATOM 0 HD21 ASN A 591 21.178 -18.743 0.575 1.00 0.00 H new ATOM 0 HD22 ASN A 591 20.113 -20.105 0.938 1.00 0.00 H new ATOM 952 N ASP A 592 22.450 -23.214 -0.411 1.00 0.00 N ATOM 953 CA ASP A 592 23.083 -23.327 -1.746 1.00 0.00 C ATOM 954 C ASP A 592 22.528 -24.521 -2.534 1.00 0.00 C ATOM 955 O ASP A 592 22.476 -24.538 -3.756 1.00 0.00 O ATOM 956 CB ASP A 592 24.590 -23.502 -1.566 1.00 0.00 C ATOM 957 CG ASP A 592 25.359 -23.245 -2.846 1.00 0.00 C ATOM 958 OD1 ASP A 592 25.091 -22.216 -3.500 1.00 0.00 O ATOM 959 OD2 ASP A 592 26.273 -24.033 -3.157 1.00 0.00 O ATOM 0 H ASP A 592 22.998 -23.621 0.347 1.00 0.00 H new ATOM 0 HA ASP A 592 22.863 -22.419 -2.308 1.00 0.00 H new ATOM 0 HB2 ASP A 592 24.942 -22.821 -0.791 1.00 0.00 H new ATOM 0 HB3 ASP A 592 24.796 -24.514 -1.219 1.00 0.00 H new ATOM 964 N GLU A 593 22.059 -25.483 -1.757 1.00 0.00 N ATOM 965 CA GLU A 593 21.412 -26.750 -2.171 1.00 0.00 C ATOM 966 C GLU A 593 20.179 -26.703 -3.074 1.00 0.00 C ATOM 967 O GLU A 593 19.339 -27.599 -3.021 1.00 0.00 O ATOM 968 CB GLU A 593 21.190 -27.659 -0.978 1.00 0.00 C ATOM 969 CG GLU A 593 22.483 -28.011 -0.275 1.00 0.00 C ATOM 970 CD GLU A 593 22.279 -29.059 0.787 1.00 0.00 C ATOM 971 OE1 GLU A 593 21.131 -29.530 0.948 1.00 0.00 O ATOM 972 OE2 GLU A 593 23.243 -29.380 1.506 1.00 0.00 O ATOM 0 H GLU A 593 22.117 -25.408 -0.741 1.00 0.00 H new ATOM 0 HA GLU A 593 22.154 -27.162 -2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 593 20.517 -27.171 -0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 593 20.698 -28.574 -1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 593 23.207 -28.371 -1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 593 22.906 -27.114 0.177 1.00 0.00 H new ATOM 979 N THR A 594 19.949 -25.580 -3.726 1.00 0.00 N ATOM 980 CA THR A 594 18.701 -25.307 -4.423 1.00 0.00 C ATOM 981 C THR A 594 18.538 -26.142 -5.692 1.00 0.00 C ATOM 982 O THR A 594 17.545 -26.003 -6.405 1.00 0.00 O ATOM 983 CB THR A 594 18.703 -23.845 -4.917 1.00 0.00 C ATOM 984 OG1 THR A 594 19.796 -23.653 -5.820 1.00 0.00 O ATOM 985 CG2 THR A 594 18.880 -22.885 -3.781 1.00 0.00 C ATOM 0 H THR A 594 20.628 -24.822 -3.789 1.00 0.00 H new ATOM 0 HA THR A 594 17.906 -25.532 -3.713 1.00 0.00 H new ATOM 0 HB THR A 594 17.746 -23.658 -5.403 1.00 0.00 H new ATOM 0 HG1 THR A 594 19.799 -22.726 -6.137 1.00 0.00 H new ATOM 0 HG21 THR A 594 18.877 -21.864 -4.163 1.00 0.00 H new ATOM 0 HG22 THR A 594 18.063 -23.009 -3.070 1.00 0.00 H new ATOM 0 HG23 THR A 594 19.829 -23.083 -3.282 1.00 0.00 H new ATOM 993 N VAL A 595 19.436 -27.098 -5.883 1.00 0.00 N ATOM 994 CA VAL A 595 19.255 -28.154 -6.864 1.00 0.00 C ATOM 995 C VAL A 595 19.345 -29.486 -6.101 1.00 0.00 C ATOM 996 O VAL A 595 20.227 -29.688 -5.259 1.00 0.00 O ATOM 997 CB VAL A 595 20.285 -28.025 -8.022 1.00 0.00 C ATOM 998 CG1 VAL A 595 21.736 -28.226 -7.542 1.00 0.00 C ATOM 999 CG2 VAL A 595 19.949 -29.004 -9.160 1.00 0.00 C ATOM 0 H VAL A 595 20.310 -27.162 -5.361 1.00 0.00 H new ATOM 0 HA VAL A 595 18.284 -28.089 -7.354 1.00 0.00 H new ATOM 0 HB VAL A 595 20.212 -27.006 -8.401 1.00 0.00 H new ATOM 0 HG11 VAL A 595 22.416 -28.126 -8.388 1.00 0.00 H new ATOM 0 HG12 VAL A 595 21.978 -27.474 -6.791 1.00 0.00 H new ATOM 0 HG13 VAL A 595 21.841 -29.220 -7.107 1.00 0.00 H new ATOM 0 HG21 VAL A 595 20.682 -28.897 -9.960 1.00 0.00 H new ATOM 0 HG22 VAL A 595 19.972 -30.025 -8.780 1.00 0.00 H new ATOM 0 HG23 VAL A 595 18.954 -28.784 -9.548 1.00 0.00 H new ATOM 1009 N LYS A 596 18.378 -30.360 -6.340 1.00 0.00 N ATOM 1010 CA LYS A 596 18.289 -31.651 -5.656 1.00 0.00 C ATOM 1011 C LYS A 596 17.645 -32.593 -6.647 1.00 0.00 C ATOM 1012 O LYS A 596 17.233 -32.145 -7.705 1.00 0.00 O ATOM 1013 CB LYS A 596 17.425 -31.506 -4.398 1.00 0.00 C ATOM 1014 CG LYS A 596 17.540 -32.634 -3.357 1.00 0.00 C ATOM 1015 CD LYS A 596 18.942 -32.784 -2.773 1.00 0.00 C ATOM 1016 CE LYS A 596 19.333 -31.551 -1.960 1.00 0.00 C ATOM 1017 NZ LYS A 596 20.172 -31.857 -0.734 1.00 0.00 N ATOM 0 H LYS A 596 17.630 -30.198 -7.014 1.00 0.00 H new ATOM 0 HA LYS A 596 19.264 -32.022 -5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 596 17.683 -30.565 -3.912 1.00 0.00 H new ATOM 0 HB3 LYS A 596 16.382 -31.430 -4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 596 16.836 -32.443 -2.547 1.00 0.00 H new ATOM 0 HG3 LYS A 596 17.245 -33.576 -3.820 1.00 0.00 H new ATOM 0 HD2 LYS A 596 18.982 -33.670 -2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 596 19.661 -32.936 -3.578 1.00 0.00 H new ATOM 0 HE2 LYS A 596 19.885 -30.866 -2.603 1.00 0.00 H new ATOM 0 HE3 LYS A 596 18.426 -31.033 -1.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 596 20.439 -30.968 -0.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 596 19.622 -32.445 -0.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 596 21.031 -32.369 -1.020 1.00 0.00 H new ATOM 1031 N THR A 597 17.545 -33.870 -6.330 1.00 0.00 N ATOM 1032 CA THR A 597 16.988 -34.839 -7.252 1.00 0.00 C ATOM 1033 C THR A 597 16.120 -35.878 -6.558 1.00 0.00 C ATOM 1034 O THR A 597 16.305 -36.159 -5.376 1.00 0.00 O ATOM 1035 CB THR A 597 18.147 -35.577 -7.904 1.00 0.00 C ATOM 1036 OG1 THR A 597 19.368 -35.212 -7.252 1.00 0.00 O ATOM 1037 CG2 THR A 597 18.293 -35.248 -9.389 1.00 0.00 C ATOM 0 H THR A 597 17.844 -34.261 -5.437 1.00 0.00 H new ATOM 0 HA THR A 597 16.367 -34.300 -7.968 1.00 0.00 H new ATOM 0 HB THR A 597 17.939 -36.643 -7.806 1.00 0.00 H new ATOM 0 HG1 THR A 597 20.116 -35.688 -7.669 1.00 0.00 H new ATOM 0 HG21 THR A 597 19.135 -35.802 -9.803 1.00 0.00 H new ATOM 0 HG22 THR A 597 17.380 -35.528 -9.915 1.00 0.00 H new ATOM 0 HG23 THR A 597 18.468 -34.179 -9.509 1.00 0.00 H new ATOM 1045 N ILE A 598 15.190 -36.454 -7.310 1.00 0.00 N ATOM 1046 CA ILE A 598 14.323 -37.537 -6.827 1.00 0.00 C ATOM 1047 C ILE A 598 14.591 -38.747 -7.671 1.00 0.00 C ATOM 1048 O ILE A 598 14.506 -38.666 -8.879 1.00 0.00 O ATOM 1049 CB ILE A 598 12.818 -37.203 -6.983 1.00 0.00 C ATOM 1050 CG1 ILE A 598 12.452 -36.129 -5.966 1.00 0.00 C ATOM 1051 CG2 ILE A 598 11.943 -38.487 -6.798 1.00 0.00 C ATOM 1052 CD1 ILE A 598 11.108 -35.482 -6.162 1.00 0.00 C ATOM 0 H ILE A 598 15.010 -36.186 -8.278 1.00 0.00 H new ATOM 0 HA ILE A 598 14.539 -37.692 -5.770 1.00 0.00 H new ATOM 0 HB ILE A 598 12.623 -36.828 -7.988 1.00 0.00 H new ATOM 0 HG12 ILE A 598 12.481 -36.571 -4.970 1.00 0.00 H new ATOM 0 HG13 ILE A 598 13.217 -35.353 -5.992 1.00 0.00 H new ATOM 0 HG21 ILE A 598 10.890 -38.229 -6.912 1.00 0.00 H new ATOM 0 HG22 ILE A 598 12.219 -39.227 -7.550 1.00 0.00 H new ATOM 0 HG23 ILE A 598 12.110 -38.901 -5.804 1.00 0.00 H new ATOM 0 HD11 ILE A 598 10.948 -34.734 -5.386 1.00 0.00 H new ATOM 0 HD12 ILE A 598 11.074 -35.003 -7.140 1.00 0.00 H new ATOM 0 HD13 ILE A 598 10.327 -36.240 -6.102 1.00 0.00 H new ATOM 1064 N ARG A 599 14.873 -39.864 -7.021 1.00 0.00 N ATOM 1065 CA ARG A 599 15.119 -41.136 -7.705 1.00 0.00 C ATOM 1066 C ARG A 599 13.960 -42.100 -7.522 1.00 0.00 C ATOM 1067 O ARG A 599 13.529 -42.340 -6.398 1.00 0.00 O ATOM 1068 CB ARG A 599 16.399 -41.791 -7.179 1.00 0.00 C ATOM 1069 CG ARG A 599 17.633 -41.330 -7.920 1.00 0.00 C ATOM 1070 CD ARG A 599 18.867 -42.138 -7.585 1.00 0.00 C ATOM 1071 NE ARG A 599 19.389 -41.816 -6.248 1.00 0.00 N ATOM 1072 CZ ARG A 599 20.452 -42.379 -5.691 1.00 0.00 C ATOM 1073 NH1 ARG A 599 21.150 -43.310 -6.297 1.00 0.00 N ATOM 1074 NH2 ARG A 599 20.823 -41.997 -4.500 1.00 0.00 N ATOM 0 H ARG A 599 14.939 -39.921 -6.005 1.00 0.00 H new ATOM 0 HA ARG A 599 15.227 -40.914 -8.767 1.00 0.00 H new ATOM 0 HB2 ARG A 599 16.510 -41.564 -6.119 1.00 0.00 H new ATOM 0 HB3 ARG A 599 16.311 -42.874 -7.265 1.00 0.00 H new ATOM 0 HG2 ARG A 599 17.448 -41.389 -8.993 1.00 0.00 H new ATOM 0 HG3 ARG A 599 17.819 -40.282 -7.686 1.00 0.00 H new ATOM 0 HD2 ARG A 599 18.630 -43.201 -7.635 1.00 0.00 H new ATOM 0 HD3 ARG A 599 19.639 -41.948 -8.331 1.00 0.00 H new ATOM 0 HE ARG A 599 18.895 -41.105 -5.708 1.00 0.00 H new ATOM 0 HH11 ARG A 599 20.880 -43.624 -7.229 1.00 0.00 H new ATOM 0 HH12 ARG A 599 21.962 -43.720 -5.836 1.00 0.00 H new ATOM 0 HH21 ARG A 599 20.297 -41.274 -4.009 1.00 0.00 H new ATOM 0 HH22 ARG A 599 21.639 -42.422 -4.059 1.00 0.00 H new ATOM 1088 N VAL A 600 13.488 -42.664 -8.625 1.00 0.00 N ATOM 1089 CA VAL A 600 12.410 -43.664 -8.607 1.00 0.00 C ATOM 1090 C VAL A 600 12.842 -44.887 -9.411 1.00 0.00 C ATOM 1091 O VAL A 600 13.039 -44.802 -10.625 1.00 0.00 O ATOM 1092 CB VAL A 600 11.097 -43.085 -9.213 1.00 0.00 C ATOM 1093 CG1 VAL A 600 9.986 -44.125 -9.237 1.00 0.00 C ATOM 1094 CG2 VAL A 600 10.679 -41.825 -8.453 1.00 0.00 C ATOM 0 H VAL A 600 13.835 -42.447 -9.559 1.00 0.00 H new ATOM 0 HA VAL A 600 12.217 -43.943 -7.571 1.00 0.00 H new ATOM 0 HB VAL A 600 11.288 -42.809 -10.250 1.00 0.00 H new ATOM 0 HG11 VAL A 600 9.086 -43.686 -9.666 1.00 0.00 H new ATOM 0 HG12 VAL A 600 10.298 -44.977 -9.842 1.00 0.00 H new ATOM 0 HG13 VAL A 600 9.778 -44.459 -8.220 1.00 0.00 H new ATOM 0 HG21 VAL A 600 9.760 -41.428 -8.884 1.00 0.00 H new ATOM 0 HG22 VAL A 600 10.511 -42.071 -7.405 1.00 0.00 H new ATOM 0 HG23 VAL A 600 11.468 -41.077 -8.528 1.00 0.00 H new ATOM 1104 N LYS A 601 13.051 -46.005 -8.727 1.00 0.00 N ATOM 1105 CA LYS A 601 13.454 -47.249 -9.382 1.00 0.00 C ATOM 1106 C LYS A 601 12.317 -47.773 -10.254 1.00 0.00 C ATOM 1107 O LYS A 601 11.168 -47.839 -9.811 1.00 0.00 O ATOM 1108 CB LYS A 601 13.823 -48.311 -8.340 1.00 0.00 C ATOM 1109 CG LYS A 601 14.733 -49.408 -8.901 1.00 0.00 C ATOM 1110 CD LYS A 601 14.533 -50.743 -8.215 1.00 0.00 C ATOM 1111 CE LYS A 601 13.415 -51.524 -8.896 1.00 0.00 C ATOM 1112 NZ LYS A 601 13.200 -52.857 -8.250 1.00 0.00 N ATOM 0 H LYS A 601 12.948 -46.078 -7.715 1.00 0.00 H new ATOM 0 HA LYS A 601 14.325 -47.042 -10.003 1.00 0.00 H new ATOM 0 HB2 LYS A 601 14.320 -47.829 -7.498 1.00 0.00 H new ATOM 0 HB3 LYS A 601 12.911 -48.765 -7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 601 14.543 -49.521 -9.968 1.00 0.00 H new ATOM 0 HG3 LYS A 601 15.773 -49.101 -8.793 1.00 0.00 H new ATOM 0 HD2 LYS A 601 15.459 -51.318 -8.246 1.00 0.00 H new ATOM 0 HD3 LYS A 601 14.289 -50.587 -7.164 1.00 0.00 H new ATOM 0 HE2 LYS A 601 12.491 -50.947 -8.856 1.00 0.00 H new ATOM 0 HE3 LYS A 601 13.658 -51.665 -9.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 601 12.970 -53.563 -8.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 601 14.066 -53.144 -7.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 601 12.415 -52.791 -7.571 1.00 0.00 H new ATOM 1126 N ILE A 602 12.647 -48.159 -11.473 1.00 0.00 N ATOM 1127 CA ILE A 602 11.678 -48.732 -12.397 1.00 0.00 C ATOM 1128 C ILE A 602 11.922 -50.224 -12.329 1.00 0.00 C ATOM 1129 O ILE A 602 13.055 -50.660 -12.102 1.00 0.00 O ATOM 1130 CB ILE A 602 11.852 -48.204 -13.871 1.00 0.00 C ATOM 1131 CG1 ILE A 602 12.119 -46.680 -13.875 1.00 0.00 C ATOM 1132 CG2 ILE A 602 10.586 -48.519 -14.701 1.00 0.00 C ATOM 1133 CD1 ILE A 602 10.991 -45.824 -13.271 1.00 0.00 C ATOM 0 H ILE A 602 13.591 -48.086 -11.852 1.00 0.00 H new ATOM 0 HA ILE A 602 10.662 -48.453 -12.119 1.00 0.00 H new ATOM 0 HB ILE A 602 12.708 -48.709 -14.319 1.00 0.00 H new ATOM 0 HG12 ILE A 602 13.039 -46.485 -13.323 1.00 0.00 H new ATOM 0 HG13 ILE A 602 12.290 -46.358 -14.902 1.00 0.00 H new ATOM 0 HG21 ILE A 602 10.717 -48.150 -15.718 1.00 0.00 H new ATOM 0 HG22 ILE A 602 10.425 -49.597 -14.724 1.00 0.00 H new ATOM 0 HG23 ILE A 602 9.723 -48.033 -14.247 1.00 0.00 H new ATOM 0 HD11 ILE A 602 11.268 -44.771 -13.318 1.00 0.00 H new ATOM 0 HD12 ILE A 602 10.072 -45.983 -13.835 1.00 0.00 H new ATOM 0 HD13 ILE A 602 10.833 -46.112 -12.232 1.00 0.00 H new ATOM 1145 N VAL A 603 10.865 -51.002 -12.460 1.00 0.00 N ATOM 1146 CA VAL A 603 10.986 -52.457 -12.469 1.00 0.00 C ATOM 1147 C VAL A 603 10.953 -52.905 -13.931 1.00 0.00 C ATOM 1148 O VAL A 603 10.358 -52.238 -14.763 1.00 0.00 O ATOM 1149 CB VAL A 603 9.905 -53.145 -11.596 1.00 0.00 C ATOM 1150 CG1 VAL A 603 10.080 -52.759 -10.123 1.00 0.00 C ATOM 1151 CG2 VAL A 603 8.550 -52.800 -12.027 1.00 0.00 C ATOM 0 H VAL A 603 9.911 -50.656 -12.562 1.00 0.00 H new ATOM 0 HA VAL A 603 11.928 -52.763 -12.014 1.00 0.00 H new ATOM 0 HB VAL A 603 10.037 -54.220 -11.715 1.00 0.00 H new ATOM 0 HG11 VAL A 603 9.313 -53.251 -9.524 1.00 0.00 H new ATOM 0 HG12 VAL A 603 11.065 -53.073 -9.779 1.00 0.00 H new ATOM 0 HG13 VAL A 603 9.986 -51.678 -10.016 1.00 0.00 H new ATOM 0 HG21 VAL A 603 7.825 -53.304 -11.388 1.00 0.00 H new ATOM 0 HG22 VAL A 603 8.409 -51.722 -11.955 1.00 0.00 H new ATOM 0 HG23 VAL A 603 8.405 -53.117 -13.060 1.00 0.00 H new ATOM 1295 N GLU A 612 3.434 -47.579 -20.150 1.00 0.00 N ATOM 1296 CA GLU A 612 3.079 -47.256 -18.761 1.00 0.00 C ATOM 1297 C GLU A 612 3.289 -45.747 -18.561 1.00 0.00 C ATOM 1298 O GLU A 612 4.093 -45.127 -19.265 1.00 0.00 O ATOM 1299 CB GLU A 612 3.948 -48.054 -17.776 1.00 0.00 C ATOM 1300 CG GLU A 612 3.895 -49.593 -17.934 1.00 0.00 C ATOM 1301 CD GLU A 612 2.563 -50.204 -17.514 1.00 0.00 C ATOM 1302 OE1 GLU A 612 1.995 -49.776 -16.492 1.00 0.00 O ATOM 1303 OE2 GLU A 612 2.068 -51.129 -18.193 1.00 0.00 O ATOM 0 HA GLU A 612 2.040 -47.524 -18.569 1.00 0.00 H new ATOM 0 HB2 GLU A 612 4.983 -47.730 -17.888 1.00 0.00 H new ATOM 0 HB3 GLU A 612 3.642 -47.800 -16.761 1.00 0.00 H new ATOM 0 HG2 GLU A 612 4.091 -49.850 -18.975 1.00 0.00 H new ATOM 0 HG3 GLU A 612 4.693 -50.039 -17.340 1.00 0.00 H new ATOM 1310 N ASN A 613 2.544 -45.145 -17.643 1.00 0.00 N ATOM 1311 CA ASN A 613 2.589 -43.694 -17.434 1.00 0.00 C ATOM 1312 C ASN A 613 2.438 -43.343 -15.963 1.00 0.00 C ATOM 1313 O ASN A 613 1.493 -43.764 -15.292 1.00 0.00 O ATOM 1314 CB ASN A 613 1.448 -43.057 -18.228 1.00 0.00 C ATOM 1315 CG ASN A 613 0.971 -41.752 -17.642 1.00 0.00 C ATOM 1316 OD1 ASN A 613 -0.091 -41.693 -17.046 1.00 0.00 O ATOM 1317 ND2 ASN A 613 1.715 -40.704 -17.843 1.00 0.00 N ATOM 0 H ASN A 613 1.897 -45.637 -17.026 1.00 0.00 H new ATOM 0 HA ASN A 613 3.555 -43.317 -17.771 1.00 0.00 H new ATOM 0 HB2 ASN A 613 1.778 -42.888 -19.253 1.00 0.00 H new ATOM 0 HB3 ASN A 613 0.612 -43.755 -18.273 1.00 0.00 H new ATOM 0 HD21 ASN A 613 1.416 -39.792 -17.497 1.00 0.00 H new ATOM 0 HD22 ASN A 613 2.598 -40.794 -18.346 1.00 0.00 H new ATOM 1324 N PHE A 614 3.369 -42.541 -15.477 1.00 0.00 N ATOM 1325 CA PHE A 614 3.353 -42.101 -14.091 1.00 0.00 C ATOM 1326 C PHE A 614 4.029 -40.753 -13.943 1.00 0.00 C ATOM 1327 O PHE A 614 4.695 -40.282 -14.843 1.00 0.00 O ATOM 1328 CB PHE A 614 4.031 -43.143 -13.189 1.00 0.00 C ATOM 1329 CG PHE A 614 5.532 -43.037 -13.127 1.00 0.00 C ATOM 1330 CD1 PHE A 614 6.348 -43.723 -14.043 1.00 0.00 C ATOM 1331 CD2 PHE A 614 6.138 -42.274 -12.111 1.00 0.00 C ATOM 1332 CE1 PHE A 614 7.762 -43.656 -13.933 1.00 0.00 C ATOM 1333 CE2 PHE A 614 7.539 -42.197 -11.994 1.00 0.00 C ATOM 1334 CZ PHE A 614 8.349 -42.894 -12.896 1.00 0.00 C ATOM 0 H PHE A 614 4.150 -42.179 -16.024 1.00 0.00 H new ATOM 0 HA PHE A 614 2.313 -41.995 -13.781 1.00 0.00 H new ATOM 0 HB2 PHE A 614 3.631 -43.046 -12.180 1.00 0.00 H new ATOM 0 HB3 PHE A 614 3.765 -44.139 -13.543 1.00 0.00 H new ATOM 0 HD1 PHE A 614 5.897 -44.304 -14.834 1.00 0.00 H new ATOM 0 HD2 PHE A 614 5.517 -41.738 -11.409 1.00 0.00 H new ATOM 0 HE1 PHE A 614 8.387 -44.185 -14.638 1.00 0.00 H new ATOM 0 HE2 PHE A 614 7.986 -41.602 -11.211 1.00 0.00 H new ATOM 0 HZ PHE A 614 9.424 -42.850 -12.801 1.00 0.00 H new ATOM 1344 N PHE A 615 3.847 -40.127 -12.800 1.00 0.00 N ATOM 1345 CA PHE A 615 4.450 -38.842 -12.503 1.00 0.00 C ATOM 1346 C PHE A 615 4.866 -38.862 -11.048 1.00 0.00 C ATOM 1347 O PHE A 615 4.521 -39.770 -10.325 1.00 0.00 O ATOM 1348 CB PHE A 615 3.464 -37.693 -12.734 1.00 0.00 C ATOM 1349 CG PHE A 615 2.108 -38.127 -13.211 1.00 0.00 C ATOM 1350 CD1 PHE A 615 1.900 -38.458 -14.561 1.00 0.00 C ATOM 1351 CD2 PHE A 615 1.025 -38.192 -12.318 1.00 0.00 C ATOM 1352 CE1 PHE A 615 0.634 -38.855 -15.024 1.00 0.00 C ATOM 1353 CE2 PHE A 615 -0.258 -38.585 -12.770 1.00 0.00 C ATOM 1354 CZ PHE A 615 -0.451 -38.914 -14.130 1.00 0.00 C ATOM 0 H PHE A 615 3.272 -40.497 -12.043 1.00 0.00 H new ATOM 0 HA PHE A 615 5.303 -38.680 -13.162 1.00 0.00 H new ATOM 0 HB2 PHE A 615 3.348 -37.137 -11.804 1.00 0.00 H new ATOM 0 HB3 PHE A 615 3.890 -37.006 -13.465 1.00 0.00 H new ATOM 0 HD1 PHE A 615 2.727 -38.406 -15.254 1.00 0.00 H new ATOM 0 HD2 PHE A 615 1.172 -37.940 -11.278 1.00 0.00 H new ATOM 0 HE1 PHE A 615 0.494 -39.114 -16.063 1.00 0.00 H new ATOM 0 HE2 PHE A 615 -1.086 -38.633 -12.078 1.00 0.00 H new ATOM 0 HZ PHE A 615 -1.428 -39.210 -14.483 1.00 0.00 H new ATOM 1364 N ILE A 616 5.597 -37.858 -10.602 1.00 0.00 N ATOM 1365 CA ILE A 616 5.985 -37.767 -9.193 1.00 0.00 C ATOM 1366 C ILE A 616 5.587 -36.391 -8.719 1.00 0.00 C ATOM 1367 O ILE A 616 6.034 -35.400 -9.274 1.00 0.00 O ATOM 1368 CB ILE A 616 7.516 -37.901 -9.004 1.00 0.00 C ATOM 1369 CG1 ILE A 616 8.081 -39.117 -9.756 1.00 0.00 C ATOM 1370 CG2 ILE A 616 7.869 -38.021 -7.511 1.00 0.00 C ATOM 1371 CD1 ILE A 616 9.537 -38.952 -10.055 1.00 0.00 C ATOM 0 H ILE A 616 5.936 -37.094 -11.186 1.00 0.00 H new ATOM 0 HA ILE A 616 5.501 -38.571 -8.639 1.00 0.00 H new ATOM 0 HB ILE A 616 7.968 -36.999 -9.418 1.00 0.00 H new ATOM 0 HG12 ILE A 616 7.931 -40.016 -9.159 1.00 0.00 H new ATOM 0 HG13 ILE A 616 7.531 -39.257 -10.687 1.00 0.00 H new ATOM 0 HG21 ILE A 616 8.949 -38.114 -7.399 1.00 0.00 H new ATOM 0 HG22 ILE A 616 7.525 -37.132 -6.983 1.00 0.00 H new ATOM 0 HG23 ILE A 616 7.383 -38.902 -7.092 1.00 0.00 H new ATOM 0 HD11 ILE A 616 9.901 -39.831 -10.587 1.00 0.00 H new ATOM 0 HD12 ILE A 616 9.683 -38.067 -10.674 1.00 0.00 H new ATOM 0 HD13 ILE A 616 10.089 -38.838 -9.122 1.00 0.00 H new ATOM 1383 N ALA A 617 4.727 -36.327 -7.721 1.00 0.00 N ATOM 1384 CA ALA A 617 4.257 -35.048 -7.200 1.00 0.00 C ATOM 1385 C ALA A 617 4.899 -34.793 -5.849 1.00 0.00 C ATOM 1386 O ALA A 617 5.214 -35.722 -5.101 1.00 0.00 O ATOM 1387 CB ALA A 617 2.726 -35.063 -7.069 1.00 0.00 C ATOM 0 H ALA A 617 4.336 -37.144 -7.251 1.00 0.00 H new ATOM 0 HA ALA A 617 4.536 -34.249 -7.887 1.00 0.00 H new ATOM 0 HB1 ALA A 617 2.385 -34.104 -6.679 1.00 0.00 H new ATOM 0 HB2 ALA A 617 2.279 -35.237 -8.048 1.00 0.00 H new ATOM 0 HB3 ALA A 617 2.427 -35.859 -6.387 1.00 0.00 H new ATOM 1393 N LEU A 618 5.068 -33.521 -5.544 1.00 0.00 N ATOM 1394 CA LEU A 618 5.608 -33.096 -4.264 1.00 0.00 C ATOM 1395 C LEU A 618 4.470 -32.962 -3.273 1.00 0.00 C ATOM 1396 O LEU A 618 3.350 -32.629 -3.646 1.00 0.00 O ATOM 1397 CB LEU A 618 6.339 -31.767 -4.435 1.00 0.00 C ATOM 1398 CG LEU A 618 7.532 -31.844 -5.403 1.00 0.00 C ATOM 1399 CD1 LEU A 618 8.018 -30.455 -5.723 1.00 0.00 C ATOM 1400 CD2 LEU A 618 8.656 -32.689 -4.821 1.00 0.00 C ATOM 0 H LEU A 618 4.836 -32.753 -6.174 1.00 0.00 H new ATOM 0 HA LEU A 618 6.319 -33.832 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 618 5.635 -31.018 -4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 618 6.692 -31.428 -3.461 1.00 0.00 H new ATOM 0 HG LEU A 618 7.203 -32.325 -6.324 1.00 0.00 H new ATOM 0 HD11 LEU A 618 8.863 -30.514 -6.409 1.00 0.00 H new ATOM 0 HD12 LEU A 618 7.213 -29.886 -6.188 1.00 0.00 H new ATOM 0 HD13 LEU A 618 8.330 -29.958 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 618 9.486 -32.726 -5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 618 8.996 -32.247 -3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 618 8.293 -33.700 -4.635 1.00 0.00 H new ATOM 1412 N GLY A 619 4.768 -33.251 -2.017 1.00 0.00 N ATOM 1413 CA GLY A 619 3.767 -33.205 -0.968 1.00 0.00 C ATOM 1414 C GLY A 619 3.491 -31.785 -0.505 1.00 0.00 C ATOM 1415 O GLY A 619 2.596 -31.106 -0.984 1.00 0.00 O ATOM 0 H GLY A 619 5.699 -33.521 -1.700 1.00 0.00 H new ATOM 0 HA2 GLY A 619 2.842 -33.654 -1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 619 4.102 -33.804 -0.121 1.00 0.00 H new ATOM 1419 N GLU A 620 4.312 -31.336 0.431 1.00 0.00 N ATOM 1420 CA GLU A 620 4.218 -29.993 1.001 1.00 0.00 C ATOM 1421 C GLU A 620 5.591 -29.545 1.461 1.00 0.00 C ATOM 1422 O GLU A 620 6.194 -30.181 2.323 1.00 0.00 O ATOM 1423 CB GLU A 620 3.345 -29.971 2.248 1.00 0.00 C ATOM 1424 CG GLU A 620 1.885 -29.822 1.993 1.00 0.00 C ATOM 1425 CD GLU A 620 1.133 -29.504 3.279 1.00 0.00 C ATOM 1426 OE1 GLU A 620 1.209 -30.315 4.231 1.00 0.00 O ATOM 1427 OE2 GLU A 620 0.539 -28.404 3.372 1.00 0.00 O ATOM 0 H GLU A 620 5.070 -31.895 0.823 1.00 0.00 H new ATOM 0 HA GLU A 620 3.799 -29.350 0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 620 3.509 -30.894 2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 620 3.672 -29.151 2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 620 1.719 -29.028 1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 620 1.493 -30.741 1.557 1.00 0.00 H new ATOM 1434 N PRO A 621 6.101 -28.437 0.922 1.00 0.00 N ATOM 1435 CA PRO A 621 7.387 -27.973 1.438 1.00 0.00 C ATOM 1436 C PRO A 621 7.229 -27.396 2.851 1.00 0.00 C ATOM 1437 O PRO A 621 6.297 -26.645 3.132 1.00 0.00 O ATOM 1438 CB PRO A 621 7.794 -26.922 0.408 1.00 0.00 C ATOM 1439 CG PRO A 621 6.494 -26.382 -0.094 1.00 0.00 C ATOM 1440 CD PRO A 621 5.575 -27.550 -0.128 1.00 0.00 C ATOM 0 HA PRO A 621 8.138 -28.755 1.550 1.00 0.00 H new ATOM 0 HB2 PRO A 621 8.404 -26.139 0.857 1.00 0.00 H new ATOM 0 HB3 PRO A 621 8.382 -27.361 -0.398 1.00 0.00 H new ATOM 0 HG2 PRO A 621 6.113 -25.600 0.562 1.00 0.00 H new ATOM 0 HG3 PRO A 621 6.607 -25.941 -1.084 1.00 0.00 H new ATOM 0 HD2 PRO A 621 4.545 -27.256 0.075 1.00 0.00 H new ATOM 0 HD3 PRO A 621 5.581 -28.036 -1.103 1.00 0.00 H new ATOM 1448 N LYS A 622 8.117 -27.784 3.756 1.00 0.00 N ATOM 1449 CA LYS A 622 8.033 -27.371 5.164 1.00 0.00 C ATOM 1450 C LYS A 622 9.366 -26.784 5.589 1.00 0.00 C ATOM 1451 O LYS A 622 10.402 -27.337 5.292 1.00 0.00 O ATOM 1452 CB LYS A 622 7.692 -28.588 6.034 1.00 0.00 C ATOM 1453 CG LYS A 622 6.332 -29.226 5.694 1.00 0.00 C ATOM 1454 CD LYS A 622 6.128 -30.588 6.351 1.00 0.00 C ATOM 1455 CE LYS A 622 6.967 -31.661 5.654 1.00 0.00 C ATOM 1456 NZ LYS A 622 6.661 -33.040 6.149 1.00 0.00 N ATOM 0 H LYS A 622 8.911 -28.388 3.545 1.00 0.00 H new ATOM 0 HA LYS A 622 7.253 -26.619 5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 622 8.475 -29.338 5.919 1.00 0.00 H new ATOM 0 HB3 LYS A 622 7.691 -28.287 7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 622 5.534 -28.554 6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 622 6.249 -29.335 4.613 1.00 0.00 H new ATOM 0 HD2 LYS A 622 6.403 -30.533 7.404 1.00 0.00 H new ATOM 0 HD3 LYS A 622 5.074 -30.862 6.310 1.00 0.00 H new ATOM 0 HE2 LYS A 622 6.788 -31.616 4.580 1.00 0.00 H new ATOM 0 HE3 LYS A 622 8.025 -31.449 5.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 622 7.428 -33.686 5.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 622 6.575 -33.026 7.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 622 5.767 -33.368 5.732 1.00 0.00 H new ATOM 1470 N TRP A 623 9.350 -25.676 6.303 1.00 0.00 N ATOM 1471 CA TRP A 623 10.588 -24.971 6.659 1.00 0.00 C ATOM 1472 C TRP A 623 11.172 -25.615 7.872 1.00 0.00 C ATOM 1473 O TRP A 623 10.675 -25.419 8.981 1.00 0.00 O ATOM 1474 CB TRP A 623 10.251 -23.528 6.999 1.00 0.00 C ATOM 1475 CG TRP A 623 11.340 -22.566 6.755 1.00 0.00 C ATOM 1476 CD1 TRP A 623 12.548 -22.770 6.167 1.00 0.00 C ATOM 1477 CD2 TRP A 623 11.325 -21.194 7.120 1.00 0.00 C ATOM 1478 NE1 TRP A 623 13.256 -21.610 6.072 1.00 0.00 N ATOM 1479 CE2 TRP A 623 12.527 -20.608 6.629 1.00 0.00 C ATOM 1480 CE3 TRP A 623 10.433 -20.404 7.855 1.00 0.00 C ATOM 1481 CZ2 TRP A 623 12.821 -19.247 6.790 1.00 0.00 C ATOM 1482 CZ3 TRP A 623 10.731 -19.080 8.075 1.00 0.00 C ATOM 1483 CH2 TRP A 623 11.918 -18.474 7.502 1.00 0.00 C ATOM 0 H TRP A 623 8.499 -25.236 6.653 1.00 0.00 H new ATOM 0 HA TRP A 623 11.293 -25.010 5.828 1.00 0.00 H new ATOM 0 HB2 TRP A 623 9.381 -23.226 6.416 1.00 0.00 H new ATOM 0 HB3 TRP A 623 9.966 -23.474 8.050 1.00 0.00 H new ATOM 0 HD1 TRP A 623 12.902 -23.729 5.819 1.00 0.00 H new ATOM 0 HE1 TRP A 623 14.180 -21.510 5.652 1.00 0.00 H new ATOM 0 HE3 TRP A 623 9.520 -20.830 8.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 623 13.720 -18.816 6.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 623 10.070 -18.481 8.684 1.00 0.00 H new ATOM 0 HH2 TRP A 623 12.098 -17.417 7.631 1.00 0.00 H new ATOM 1494 N MET A 624 12.263 -26.348 7.697 1.00 0.00 N ATOM 1495 CA MET A 624 12.973 -26.696 8.878 1.00 0.00 C ATOM 1496 C MET A 624 14.418 -26.258 8.864 1.00 0.00 C ATOM 1497 O MET A 624 15.376 -27.012 8.977 1.00 0.00 O ATOM 1498 CB MET A 624 13.167 -28.158 8.678 1.00 0.00 C ATOM 1499 CG MET A 624 11.954 -29.016 8.361 1.00 0.00 C ATOM 1500 SD MET A 624 10.884 -29.326 9.742 1.00 0.00 S ATOM 1501 CE MET A 624 10.030 -30.722 9.066 1.00 0.00 C ATOM 0 H MET A 624 12.640 -26.684 6.811 1.00 0.00 H new ATOM 0 HA MET A 624 12.449 -26.297 9.747 1.00 0.00 H new ATOM 0 HB2 MET A 624 13.886 -28.289 7.869 1.00 0.00 H new ATOM 0 HB3 MET A 624 13.628 -28.557 9.581 1.00 0.00 H new ATOM 0 HG2 MET A 624 11.378 -28.530 7.574 1.00 0.00 H new ATOM 0 HG3 MET A 624 12.296 -29.971 7.962 1.00 0.00 H new ATOM 0 HE1 MET A 624 9.295 -31.083 9.786 1.00 0.00 H new ATOM 0 HE2 MET A 624 9.524 -30.428 8.147 1.00 0.00 H new ATOM 0 HE3 MET A 624 10.745 -31.516 8.849 1.00 0.00 H new ATOM 1511 N GLU A 625 14.470 -25.011 9.181 1.00 0.00 N ATOM 1512 CA GLU A 625 15.492 -24.339 9.913 1.00 0.00 C ATOM 1513 C GLU A 625 14.716 -23.214 10.517 1.00 0.00 C ATOM 1514 O GLU A 625 15.018 -22.211 10.051 1.00 0.00 O ATOM 1515 CB GLU A 625 16.385 -23.808 8.786 1.00 0.00 C ATOM 1516 CG GLU A 625 17.553 -22.864 9.107 1.00 0.00 C ATOM 1517 CD GLU A 625 18.828 -23.215 8.340 1.00 0.00 C ATOM 1518 OE1 GLU A 625 19.182 -24.408 8.260 1.00 0.00 O ATOM 1519 OE2 GLU A 625 19.427 -22.296 7.746 1.00 0.00 O ATOM 0 H GLU A 625 13.724 -24.371 8.907 1.00 0.00 H new ATOM 0 HA GLU A 625 16.067 -24.891 10.656 1.00 0.00 H new ATOM 0 HB2 GLU A 625 16.801 -24.672 8.268 1.00 0.00 H new ATOM 0 HB3 GLU A 625 15.738 -23.292 8.076 1.00 0.00 H new ATOM 0 HG2 GLU A 625 17.262 -21.841 8.870 1.00 0.00 H new ATOM 0 HG3 GLU A 625 17.758 -22.898 10.177 1.00 0.00 H new ATOM 1526 N ARG A 626 14.074 -23.198 11.677 1.00 0.00 N ATOM 1527 CA ARG A 626 13.351 -21.950 12.172 1.00 0.00 C ATOM 1528 C ARG A 626 12.395 -22.342 13.274 1.00 0.00 C ATOM 1529 O ARG A 626 12.413 -21.766 14.347 1.00 0.00 O ATOM 1530 CB ARG A 626 12.441 -21.104 11.130 1.00 0.00 C ATOM 1531 CG ARG A 626 13.099 -20.376 9.983 1.00 0.00 C ATOM 1532 CD ARG A 626 14.209 -19.398 10.433 1.00 0.00 C ATOM 1533 NE ARG A 626 13.860 -17.998 10.126 1.00 0.00 N ATOM 1534 CZ ARG A 626 13.245 -17.150 10.947 1.00 0.00 C ATOM 1535 NH1 ARG A 626 12.857 -17.475 12.155 1.00 0.00 N ATOM 1536 NH2 ARG A 626 13.023 -15.934 10.536 1.00 0.00 N ATOM 0 H ARG A 626 14.017 -23.997 12.308 1.00 0.00 H new ATOM 0 HA ARG A 626 14.186 -21.305 12.448 1.00 0.00 H new ATOM 0 HB2 ARG A 626 11.710 -21.791 10.703 1.00 0.00 H new ATOM 0 HB3 ARG A 626 11.885 -20.366 11.708 1.00 0.00 H new ATOM 0 HG2 ARG A 626 13.525 -21.106 9.295 1.00 0.00 H new ATOM 0 HG3 ARG A 626 12.340 -19.823 9.430 1.00 0.00 H new ATOM 0 HD2 ARG A 626 14.376 -19.505 11.505 1.00 0.00 H new ATOM 0 HD3 ARG A 626 15.145 -19.657 9.938 1.00 0.00 H new ATOM 0 HE ARG A 626 14.113 -17.649 9.202 1.00 0.00 H new ATOM 0 HH11 ARG A 626 13.022 -18.418 12.507 1.00 0.00 H new ATOM 0 HH12 ARG A 626 12.389 -16.785 12.743 1.00 0.00 H new ATOM 0 HH21 ARG A 626 13.319 -15.649 9.602 1.00 0.00 H new ATOM 0 HH22 ARG A 626 12.553 -15.267 11.148 1.00 0.00 H new ATOM 1916 N GLY A 650 7.609 -17.469 6.966 1.00 0.00 N ATOM 1917 CA GLY A 650 8.504 -17.858 5.886 1.00 0.00 C ATOM 1918 C GLY A 650 7.997 -18.972 4.994 1.00 0.00 C ATOM 1919 O GLY A 650 8.801 -19.628 4.358 1.00 0.00 O ATOM 0 HA2 GLY A 650 8.703 -16.982 5.268 1.00 0.00 H new ATOM 0 HA3 GLY A 650 9.456 -18.166 6.318 1.00 0.00 H new ATOM 1923 N LYS A 651 6.704 -19.263 5.024 1.00 0.00 N ATOM 1924 CA LYS A 651 6.185 -20.504 4.435 1.00 0.00 C ATOM 1925 C LYS A 651 6.480 -20.690 2.938 1.00 0.00 C ATOM 1926 O LYS A 651 6.037 -19.893 2.111 1.00 0.00 O ATOM 1927 CB LYS A 651 4.670 -20.586 4.613 1.00 0.00 C ATOM 1928 CG LYS A 651 4.218 -20.795 6.057 1.00 0.00 C ATOM 1929 CD LYS A 651 3.162 -21.910 6.160 1.00 0.00 C ATOM 1930 CE LYS A 651 1.853 -21.558 5.435 1.00 0.00 C ATOM 1931 NZ LYS A 651 0.863 -22.696 5.511 1.00 0.00 N ATOM 0 H LYS A 651 5.993 -18.665 5.446 1.00 0.00 H new ATOM 0 HA LYS A 651 6.711 -21.293 4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 651 4.221 -19.668 4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 651 4.288 -21.404 4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 651 5.079 -21.049 6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 651 3.807 -19.865 6.449 1.00 0.00 H new ATOM 0 HD2 LYS A 651 3.569 -22.830 5.740 1.00 0.00 H new ATOM 0 HD3 LYS A 651 2.949 -22.107 7.211 1.00 0.00 H new ATOM 0 HE2 LYS A 651 1.417 -20.663 5.880 1.00 0.00 H new ATOM 0 HE3 LYS A 651 2.064 -21.325 4.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 651 -0.011 -22.430 5.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 651 1.272 -23.542 5.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 651 0.645 -22.901 6.507 1.00 0.00 H new ATOM 1945 N PRO A 652 7.191 -21.779 2.576 1.00 0.00 N ATOM 1946 CA PRO A 652 7.382 -22.065 1.152 1.00 0.00 C ATOM 1947 C PRO A 652 6.121 -22.612 0.519 1.00 0.00 C ATOM 1948 O PRO A 652 5.203 -23.059 1.210 1.00 0.00 O ATOM 1949 CB PRO A 652 8.455 -23.152 1.166 1.00 0.00 C ATOM 1950 CG PRO A 652 8.216 -23.859 2.433 1.00 0.00 C ATOM 1951 CD PRO A 652 7.829 -22.814 3.413 1.00 0.00 C ATOM 0 HA PRO A 652 7.647 -21.175 0.581 1.00 0.00 H new ATOM 0 HB2 PRO A 652 8.360 -23.820 0.310 1.00 0.00 H new ATOM 0 HB3 PRO A 652 9.458 -22.726 1.128 1.00 0.00 H new ATOM 0 HG2 PRO A 652 7.427 -24.603 2.323 1.00 0.00 H new ATOM 0 HG3 PRO A 652 9.111 -24.389 2.760 1.00 0.00 H new ATOM 0 HD2 PRO A 652 7.142 -23.203 4.165 1.00 0.00 H new ATOM 0 HD3 PRO A 652 8.695 -22.422 3.946 1.00 0.00 H new ATOM 1959 N VAL A 653 6.105 -22.613 -0.803 1.00 0.00 N ATOM 1960 CA VAL A 653 4.988 -23.169 -1.575 1.00 0.00 C ATOM 1961 C VAL A 653 5.513 -23.885 -2.821 1.00 0.00 C ATOM 1962 O VAL A 653 6.651 -23.667 -3.243 1.00 0.00 O ATOM 1963 CB VAL A 653 3.971 -22.056 -2.028 1.00 0.00 C ATOM 1964 CG1 VAL A 653 3.273 -21.421 -0.813 1.00 0.00 C ATOM 1965 CG2 VAL A 653 4.667 -20.961 -2.847 1.00 0.00 C ATOM 0 H VAL A 653 6.858 -22.232 -1.376 1.00 0.00 H new ATOM 0 HA VAL A 653 4.468 -23.870 -0.922 1.00 0.00 H new ATOM 0 HB VAL A 653 3.224 -22.541 -2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 653 2.576 -20.655 -1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 653 2.729 -22.189 -0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 653 4.019 -20.968 -0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 653 3.936 -20.209 -3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 653 5.444 -20.493 -2.243 1.00 0.00 H new ATOM 0 HG23 VAL A 653 5.116 -21.402 -3.737 1.00 0.00 H new ATOM 1975 N LEU A 654 4.683 -24.728 -3.413 1.00 0.00 N ATOM 1976 CA LEU A 654 4.995 -25.372 -4.679 1.00 0.00 C ATOM 1977 C LEU A 654 4.894 -24.369 -5.824 1.00 0.00 C ATOM 1978 O LEU A 654 4.286 -23.311 -5.684 1.00 0.00 O ATOM 1979 CB LEU A 654 4.018 -26.529 -4.900 1.00 0.00 C ATOM 1980 CG LEU A 654 4.049 -27.563 -3.763 1.00 0.00 C ATOM 1981 CD1 LEU A 654 3.049 -28.660 -3.981 1.00 0.00 C ATOM 1982 CD2 LEU A 654 5.447 -28.127 -3.628 1.00 0.00 C ATOM 0 H LEU A 654 3.774 -24.985 -3.030 1.00 0.00 H new ATOM 0 HA LEU A 654 6.015 -25.754 -4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 654 3.008 -26.132 -4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 654 4.256 -27.024 -5.841 1.00 0.00 H new ATOM 0 HG LEU A 654 3.773 -27.061 -2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 654 3.102 -29.370 -3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 654 2.047 -28.234 -4.029 1.00 0.00 H new ATOM 0 HD13 LEU A 654 3.270 -29.174 -4.917 1.00 0.00 H new ATOM 0 HD21 LEU A 654 5.467 -28.860 -2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 654 5.737 -28.607 -4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 654 6.145 -27.320 -3.403 1.00 0.00 H new ATOM 1994 N GLY A 655 5.530 -24.702 -6.935 1.00 0.00 N ATOM 1995 CA GLY A 655 5.588 -23.816 -8.085 1.00 0.00 C ATOM 1996 C GLY A 655 4.657 -24.177 -9.216 1.00 0.00 C ATOM 1997 O GLY A 655 3.614 -24.779 -9.021 1.00 0.00 O ATOM 0 H GLY A 655 6.018 -25.588 -7.065 1.00 0.00 H new ATOM 0 HA2 GLY A 655 5.359 -22.802 -7.756 1.00 0.00 H new ATOM 0 HA3 GLY A 655 6.610 -23.805 -8.465 1.00 0.00 H new ATOM 2001 N GLU A 656 5.065 -23.791 -10.416 1.00 0.00 N ATOM 2002 CA GLU A 656 4.286 -24.038 -11.628 1.00 0.00 C ATOM 2003 C GLU A 656 4.352 -25.495 -12.083 1.00 0.00 C ATOM 2004 O GLU A 656 3.374 -26.036 -12.583 1.00 0.00 O ATOM 2005 CB GLU A 656 4.844 -23.183 -12.761 1.00 0.00 C ATOM 2006 CG GLU A 656 4.714 -21.688 -12.576 1.00 0.00 C ATOM 2007 CD GLU A 656 5.385 -20.927 -13.715 1.00 0.00 C ATOM 2008 OE1 GLU A 656 5.901 -21.583 -14.657 1.00 0.00 O ATOM 2009 OE2 GLU A 656 5.444 -19.682 -13.642 1.00 0.00 O ATOM 0 H GLU A 656 5.943 -23.299 -10.581 1.00 0.00 H new ATOM 0 HA GLU A 656 3.250 -23.792 -11.395 1.00 0.00 H new ATOM 0 HB2 GLU A 656 5.899 -23.425 -12.889 1.00 0.00 H new ATOM 0 HB3 GLU A 656 4.339 -23.462 -13.686 1.00 0.00 H new ATOM 0 HG2 GLU A 656 3.660 -21.416 -12.526 1.00 0.00 H new ATOM 0 HG3 GLU A 656 5.164 -21.397 -11.627 1.00 0.00 H new ATOM 2016 N HIS A 657 5.519 -26.117 -11.934 1.00 0.00 N ATOM 2017 CA HIS A 657 5.740 -27.487 -12.412 1.00 0.00 C ATOM 2018 C HIS A 657 6.272 -28.430 -11.325 1.00 0.00 C ATOM 2019 O HIS A 657 7.305 -29.039 -11.500 1.00 0.00 O ATOM 2020 CB HIS A 657 6.746 -27.450 -13.584 1.00 0.00 C ATOM 2021 CG HIS A 657 6.479 -26.354 -14.569 1.00 0.00 C ATOM 2022 ND1 HIS A 657 5.708 -26.517 -15.718 1.00 0.00 N ATOM 2023 CD2 HIS A 657 6.869 -25.050 -14.602 1.00 0.00 C ATOM 2024 CE1 HIS A 657 5.644 -25.360 -16.363 1.00 0.00 C ATOM 2025 NE2 HIS A 657 6.328 -24.464 -15.702 1.00 0.00 N ATOM 0 H HIS A 657 6.332 -25.695 -11.485 1.00 0.00 H new ATOM 0 HA HIS A 657 4.773 -27.878 -12.727 1.00 0.00 H new ATOM 0 HB2 HIS A 657 7.753 -27.330 -13.184 1.00 0.00 H new ATOM 0 HB3 HIS A 657 6.721 -28.408 -14.103 1.00 0.00 H new ATOM 0 HD1 HIS A 657 5.264 -27.386 -16.015 1.00 0.00 H new ATOM 0 HD2 HIS A 657 7.502 -24.563 -13.875 1.00 0.00 H new ATOM 0 HE1 HIS A 657 5.112 -25.186 -17.287 1.00 0.00 H new ATOM 2033 N PRO A 658 5.582 -28.561 -10.176 1.00 0.00 N ATOM 2034 CA PRO A 658 6.062 -29.441 -9.096 1.00 0.00 C ATOM 2035 C PRO A 658 5.842 -30.939 -9.363 1.00 0.00 C ATOM 2036 O PRO A 658 5.672 -31.732 -8.433 1.00 0.00 O ATOM 2037 CB PRO A 658 5.214 -28.978 -7.911 1.00 0.00 C ATOM 2038 CG PRO A 658 3.938 -28.601 -8.535 1.00 0.00 C ATOM 2039 CD PRO A 658 4.331 -27.892 -9.777 1.00 0.00 C ATOM 0 HA PRO A 658 7.140 -29.363 -8.957 1.00 0.00 H new ATOM 0 HB2 PRO A 658 5.083 -29.772 -7.176 1.00 0.00 H new ATOM 0 HB3 PRO A 658 5.673 -28.136 -7.393 1.00 0.00 H new ATOM 0 HG2 PRO A 658 3.328 -29.478 -8.754 1.00 0.00 H new ATOM 0 HG3 PRO A 658 3.350 -27.959 -7.880 1.00 0.00 H new ATOM 0 HD2 PRO A 658 3.566 -27.980 -10.548 1.00 0.00 H new ATOM 0 HD3 PRO A 658 4.484 -26.827 -9.600 1.00 0.00 H new ATOM 2047 N LYS A 659 5.789 -31.303 -10.635 1.00 0.00 N ATOM 2048 CA LYS A 659 5.536 -32.674 -11.058 1.00 0.00 C ATOM 2049 C LYS A 659 6.108 -32.860 -12.453 1.00 0.00 C ATOM 2050 O LYS A 659 6.121 -31.918 -13.227 1.00 0.00 O ATOM 2051 CB LYS A 659 4.038 -32.920 -11.080 1.00 0.00 C ATOM 2052 CG LYS A 659 3.647 -34.367 -11.383 1.00 0.00 C ATOM 2053 CD LYS A 659 2.270 -34.700 -10.843 1.00 0.00 C ATOM 2054 CE LYS A 659 1.211 -33.960 -11.571 1.00 0.00 C ATOM 2055 NZ LYS A 659 1.074 -34.411 -13.023 1.00 0.00 N ATOM 0 H LYS A 659 5.921 -30.652 -11.409 1.00 0.00 H new ATOM 0 HA LYS A 659 6.004 -33.378 -10.369 1.00 0.00 H new ATOM 0 HB2 LYS A 659 3.620 -32.637 -10.114 1.00 0.00 H new ATOM 0 HB3 LYS A 659 3.585 -32.268 -11.827 1.00 0.00 H new ATOM 0 HG2 LYS A 659 3.665 -34.531 -12.460 1.00 0.00 H new ATOM 0 HG3 LYS A 659 4.383 -35.042 -10.946 1.00 0.00 H new ATOM 0 HD2 LYS A 659 2.093 -35.772 -10.930 1.00 0.00 H new ATOM 0 HD3 LYS A 659 2.224 -34.454 -9.782 1.00 0.00 H new ATOM 0 HE2 LYS A 659 0.258 -34.099 -11.060 1.00 0.00 H new ATOM 0 HE3 LYS A 659 1.434 -32.893 -11.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 0.176 -34.060 -13.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 1.865 -34.031 -13.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 1.088 -35.450 -13.067 1.00 0.00 H new ATOM 2069 N LEU A 660 6.544 -34.071 -12.762 1.00 0.00 N ATOM 2070 CA LEU A 660 7.074 -34.416 -14.080 1.00 0.00 C ATOM 2071 C LEU A 660 6.387 -35.693 -14.535 1.00 0.00 C ATOM 2072 O LEU A 660 6.403 -36.677 -13.807 1.00 0.00 O ATOM 2073 CB LEU A 660 8.591 -34.638 -13.981 1.00 0.00 C ATOM 2074 CG LEU A 660 9.301 -35.229 -15.198 1.00 0.00 C ATOM 2075 CD1 LEU A 660 8.970 -34.434 -16.439 1.00 0.00 C ATOM 2076 CD2 LEU A 660 10.819 -35.268 -14.963 1.00 0.00 C ATOM 0 H LEU A 660 6.542 -34.850 -12.104 1.00 0.00 H new ATOM 0 HA LEU A 660 6.889 -33.614 -14.794 1.00 0.00 H new ATOM 0 HB2 LEU A 660 9.057 -33.679 -13.753 1.00 0.00 H new ATOM 0 HB3 LEU A 660 8.780 -35.294 -13.131 1.00 0.00 H new ATOM 0 HG LEU A 660 8.951 -36.251 -15.345 1.00 0.00 H new ATOM 0 HD11 LEU A 660 9.484 -34.868 -17.297 1.00 0.00 H new ATOM 0 HD12 LEU A 660 7.894 -34.458 -16.610 1.00 0.00 H new ATOM 0 HD13 LEU A 660 9.293 -33.402 -16.307 1.00 0.00 H new ATOM 0 HD21 LEU A 660 11.312 -35.691 -15.838 1.00 0.00 H new ATOM 0 HD22 LEU A 660 11.187 -34.256 -14.793 1.00 0.00 H new ATOM 0 HD23 LEU A 660 11.036 -35.884 -14.091 1.00 0.00 H new ATOM 2088 N GLU A 661 5.770 -35.662 -15.709 1.00 0.00 N ATOM 2089 CA GLU A 661 5.100 -36.830 -16.284 1.00 0.00 C ATOM 2090 C GLU A 661 6.080 -37.674 -17.077 1.00 0.00 C ATOM 2091 O GLU A 661 6.711 -37.189 -18.001 1.00 0.00 O ATOM 2092 CB GLU A 661 3.976 -36.379 -17.216 1.00 0.00 C ATOM 2093 CG GLU A 661 3.300 -37.517 -17.930 1.00 0.00 C ATOM 2094 CD GLU A 661 1.966 -37.100 -18.510 1.00 0.00 C ATOM 2095 OE1 GLU A 661 1.936 -36.188 -19.363 1.00 0.00 O ATOM 2096 OE2 GLU A 661 0.936 -37.652 -18.070 1.00 0.00 O ATOM 0 H GLU A 661 5.718 -34.827 -16.293 1.00 0.00 H new ATOM 0 HA GLU A 661 4.693 -37.424 -15.465 1.00 0.00 H new ATOM 0 HB2 GLU A 661 3.233 -35.830 -16.638 1.00 0.00 H new ATOM 0 HB3 GLU A 661 4.381 -35.686 -17.954 1.00 0.00 H new ATOM 0 HG2 GLU A 661 3.946 -37.881 -18.729 1.00 0.00 H new ATOM 0 HG3 GLU A 661 3.153 -38.345 -17.237 1.00 0.00 H new ATOM 2103 N VAL A 662 6.190 -38.935 -16.707 1.00 0.00 N ATOM 2104 CA VAL A 662 7.102 -39.887 -17.321 1.00 0.00 C ATOM 2105 C VAL A 662 6.280 -40.934 -18.032 1.00 0.00 C ATOM 2106 O VAL A 662 5.295 -41.459 -17.510 1.00 0.00 O ATOM 2107 CB VAL A 662 7.969 -40.596 -16.245 1.00 0.00 C ATOM 2108 CG1 VAL A 662 9.201 -41.268 -16.790 1.00 0.00 C ATOM 2109 CG2 VAL A 662 8.180 -39.741 -14.977 1.00 0.00 C ATOM 0 H VAL A 662 5.635 -39.338 -15.952 1.00 0.00 H new ATOM 0 HA VAL A 662 7.759 -39.356 -18.010 1.00 0.00 H new ATOM 0 HB VAL A 662 7.375 -41.440 -15.895 1.00 0.00 H new ATOM 0 HG11 VAL A 662 9.750 -41.739 -15.974 1.00 0.00 H new ATOM 0 HG12 VAL A 662 8.910 -42.026 -17.517 1.00 0.00 H new ATOM 0 HG13 VAL A 662 9.836 -40.526 -17.274 1.00 0.00 H new ATOM 0 HG21 VAL A 662 8.793 -40.292 -14.264 1.00 0.00 H new ATOM 0 HG22 VAL A 662 8.682 -38.811 -15.245 1.00 0.00 H new ATOM 0 HG23 VAL A 662 7.214 -39.515 -14.526 1.00 0.00 H new ATOM 2119 N ILE A 663 6.710 -41.231 -19.238 1.00 0.00 N ATOM 2120 CA ILE A 663 6.112 -42.261 -20.053 1.00 0.00 C ATOM 2121 C ILE A 663 7.188 -43.322 -20.159 1.00 0.00 C ATOM 2122 O ILE A 663 8.348 -42.992 -20.410 1.00 0.00 O ATOM 2123 CB ILE A 663 5.771 -41.707 -21.453 1.00 0.00 C ATOM 2124 CG1 ILE A 663 4.617 -40.684 -21.370 1.00 0.00 C ATOM 2125 CG2 ILE A 663 5.453 -42.842 -22.417 1.00 0.00 C ATOM 2126 CD1 ILE A 663 3.217 -41.299 -21.453 1.00 0.00 C ATOM 0 H ILE A 663 7.495 -40.757 -19.685 1.00 0.00 H new ATOM 0 HA ILE A 663 5.183 -42.643 -19.630 1.00 0.00 H new ATOM 0 HB ILE A 663 6.644 -41.182 -21.842 1.00 0.00 H new ATOM 0 HG12 ILE A 663 4.703 -40.133 -20.433 1.00 0.00 H new ATOM 0 HG13 ILE A 663 4.731 -39.960 -22.177 1.00 0.00 H new ATOM 0 HG21 ILE A 663 5.215 -42.430 -23.398 1.00 0.00 H new ATOM 0 HG22 ILE A 663 6.317 -43.502 -22.500 1.00 0.00 H new ATOM 0 HG23 ILE A 663 4.599 -43.407 -22.044 1.00 0.00 H new ATOM 0 HD11 ILE A 663 2.468 -40.510 -21.387 1.00 0.00 H new ATOM 0 HD12 ILE A 663 3.106 -41.825 -22.401 1.00 0.00 H new ATOM 0 HD13 ILE A 663 3.078 -42.001 -20.630 1.00 0.00 H new ATOM 2138 N ILE A 664 6.818 -44.573 -19.960 1.00 0.00 N ATOM 2139 CA ILE A 664 7.736 -45.690 -20.134 1.00 0.00 C ATOM 2140 C ILE A 664 7.467 -46.208 -21.549 1.00 0.00 C ATOM 2141 O ILE A 664 6.352 -46.633 -21.852 1.00 0.00 O ATOM 2142 CB ILE A 664 7.535 -46.770 -19.040 1.00 0.00 C ATOM 2143 CG1 ILE A 664 7.683 -46.098 -17.650 1.00 0.00 C ATOM 2144 CG2 ILE A 664 8.555 -47.913 -19.225 1.00 0.00 C ATOM 2145 CD1 ILE A 664 7.532 -47.012 -16.428 1.00 0.00 C ATOM 0 H ILE A 664 5.878 -44.846 -19.674 1.00 0.00 H new ATOM 0 HA ILE A 664 8.778 -45.391 -20.023 1.00 0.00 H new ATOM 0 HB ILE A 664 6.540 -47.207 -19.119 1.00 0.00 H new ATOM 0 HG12 ILE A 664 8.664 -45.625 -17.603 1.00 0.00 H new ATOM 0 HG13 ILE A 664 6.941 -45.303 -17.575 1.00 0.00 H new ATOM 0 HG21 ILE A 664 8.403 -48.665 -18.451 1.00 0.00 H new ATOM 0 HG22 ILE A 664 8.417 -48.369 -20.205 1.00 0.00 H new ATOM 0 HG23 ILE A 664 9.566 -47.514 -19.150 1.00 0.00 H new ATOM 0 HD11 ILE A 664 7.656 -46.426 -15.518 1.00 0.00 H new ATOM 0 HD12 ILE A 664 6.542 -47.467 -16.434 1.00 0.00 H new ATOM 0 HD13 ILE A 664 8.291 -47.794 -16.462 1.00 0.00 H new