USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=24 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 Single : A 533 THR OG1 : rot -160:sc= 0.487 USER MOD Single : A 536 CYS SG : rot 0:sc= 0.0789 USER MOD Single : A 538 THR OG1 : rot 180:sc= 0 USER MOD Single : A 540 HIS :FLIP no HD1:sc= -0.024 F(o=-0.81,f=-0.024) USER MOD Single : A 542 SER OG : rot 42:sc= 1.27 USER MOD Single : A 544 SER OG : rot -22:sc= 0.344 USER MOD Single : A 548 MET CE :methyl 156:sc= -0.719 (180deg=-1.91) USER MOD Single : A 551 LYS NZ :NH3+ 176:sc= 0.0676 (180deg=0.0652) USER MOD Single : A 555 THR OG1 : rot 180:sc= 0.00168 USER MOD Single : A 556 SER OG : rot 180:sc= 0.0219 USER MOD Single : A 561 THR OG1 : rot 180:sc= 0 USER MOD Single : A 568 THR OG1 : rot -110:sc= -0.0694 USER MOD Single : A 572 THR OG1 : rot 180:sc= 0 USER MOD Single : A 574 LYS NZ :NH3+ -145:sc= 0.878 (180deg=0.0962) USER MOD Single : A 584 TYR OH : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ -175:sc= 0.632 (180deg=0.609) USER MOD Single : A 591 ASN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 594 THR OG1 : rot -160:sc= 0 USER MOD Single : A 596 LYS NZ :NH3+ -129:sc= 0.105 (180deg=-0.165) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 601 LYS NZ :NH3+ -167:sc= -0.523 (180deg=-1.04!) USER MOD Single : A 613 ASN : amide:sc= 0.402 K(o=0.4,f=-4.9!) USER MOD Single : A 622 LYS NZ :NH3+ -171:sc= 1.23 (180deg=1.18) USER MOD Single : A 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 651 LYS NZ :NH3+ -160:sc= 1.34 (180deg=0.887) USER MOD Single : A 657 HIS : no HE2:sc= -0.529 K(o=-0.51,f=-2.9!) USER MOD Single : A 659 LYS NZ :NH3+ 161:sc= 0.181 (180deg=-0.163) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 529 11.117 -18.415 1.883 1.00 52.13 N ATOM 19 CA ALA A 529 11.695 -19.661 1.397 1.00 30.12 C ATOM 20 C ALA A 529 11.301 -19.898 -0.073 1.00 41.51 C ATOM 21 O ALA A 529 10.189 -19.571 -0.489 1.00 15.14 O ATOM 22 CB ALA A 529 11.219 -20.797 2.260 1.00 23.44 C ATOM 0 HA ALA A 529 12.782 -19.600 1.450 1.00 30.12 H new ATOM 0 HB1 ALA A 529 11.649 -21.732 1.900 1.00 23.44 H new ATOM 0 HB2 ALA A 529 11.531 -20.627 3.290 1.00 23.44 H new ATOM 0 HB3 ALA A 529 10.132 -20.857 2.216 1.00 23.44 H new ATOM 28 N GLY A 530 12.228 -20.423 -0.864 1.00 34.44 N ATOM 29 CA GLY A 530 11.998 -20.537 -2.288 1.00 31.45 C ATOM 30 C GLY A 530 10.901 -21.480 -2.740 1.00 11.11 C ATOM 31 O GLY A 530 10.647 -22.510 -2.138 1.00 21.23 O ATOM 0 H GLY A 530 13.132 -20.771 -0.544 1.00 34.44 H new ATOM 0 HA2 GLY A 530 11.769 -19.543 -2.674 1.00 31.45 H new ATOM 0 HA3 GLY A 530 12.930 -20.854 -2.756 1.00 31.45 H new ATOM 35 N ILE A 531 10.298 -21.121 -3.864 1.00 62.44 N ATOM 36 CA ILE A 531 9.323 -21.960 -4.551 1.00 4.31 C ATOM 37 C ILE A 531 10.076 -23.150 -5.115 1.00 60.31 C ATOM 38 O ILE A 531 11.165 -22.967 -5.653 1.00 21.10 O ATOM 39 CB ILE A 531 8.641 -21.172 -5.730 1.00 14.25 C ATOM 40 CG1 ILE A 531 7.419 -20.393 -5.214 1.00 11.25 C ATOM 41 CG2 ILE A 531 8.158 -22.101 -6.836 1.00 30.43 C ATOM 42 CD1 ILE A 531 7.731 -19.105 -4.436 1.00 72.32 C ATOM 0 H ILE A 531 10.473 -20.231 -4.330 1.00 62.44 H new ATOM 0 HA ILE A 531 8.542 -22.271 -3.857 1.00 4.31 H new ATOM 0 HB ILE A 531 9.398 -20.497 -6.130 1.00 14.25 H new ATOM 0 HG12 ILE A 531 6.788 -20.138 -6.065 1.00 11.25 H new ATOM 0 HG13 ILE A 531 6.836 -21.052 -4.571 1.00 11.25 H new ATOM 0 HG21 ILE A 531 7.694 -21.513 -7.628 1.00 30.43 H new ATOM 0 HG22 ILE A 531 9.005 -22.654 -7.243 1.00 30.43 H new ATOM 0 HG23 ILE A 531 7.429 -22.802 -6.430 1.00 30.43 H new ATOM 0 HD11 ILE A 531 6.799 -18.636 -4.119 1.00 72.32 H new ATOM 0 HD12 ILE A 531 8.332 -19.346 -3.559 1.00 72.32 H new ATOM 0 HD13 ILE A 531 8.283 -18.418 -5.077 1.00 72.32 H new ATOM 54 N PHE A 532 9.489 -24.339 -5.033 1.00 34.43 N ATOM 55 CA PHE A 532 10.085 -25.551 -5.602 1.00 74.31 C ATOM 56 C PHE A 532 9.295 -26.028 -6.802 1.00 2.45 C ATOM 57 O PHE A 532 8.064 -26.000 -6.799 1.00 60.31 O ATOM 58 CB PHE A 532 10.102 -26.662 -4.571 1.00 53.13 C ATOM 59 CG PHE A 532 10.968 -26.353 -3.393 1.00 73.40 C ATOM 60 CD1 PHE A 532 10.442 -25.690 -2.276 1.00 3.33 C ATOM 61 CD2 PHE A 532 12.331 -26.697 -3.408 1.00 32.44 C ATOM 62 CE1 PHE A 532 11.268 -25.359 -1.184 1.00 63.01 C ATOM 63 CE2 PHE A 532 13.165 -26.370 -2.319 1.00 33.55 C ATOM 64 CZ PHE A 532 12.635 -25.701 -1.206 1.00 0.22 C ATOM 0 H PHE A 532 8.592 -24.494 -4.574 1.00 34.43 H new ATOM 0 HA PHE A 532 11.102 -25.306 -5.908 1.00 74.31 H new ATOM 0 HB2 PHE A 532 9.084 -26.847 -4.228 1.00 53.13 H new ATOM 0 HB3 PHE A 532 10.452 -27.581 -5.041 1.00 53.13 H new ATOM 0 HD1 PHE A 532 9.394 -25.430 -2.252 1.00 3.33 H new ATOM 0 HD2 PHE A 532 12.743 -27.216 -4.261 1.00 32.44 H new ATOM 0 HE1 PHE A 532 10.854 -24.843 -0.330 1.00 63.01 H new ATOM 0 HE2 PHE A 532 14.212 -26.635 -2.342 1.00 33.55 H new ATOM 0 HZ PHE A 532 13.271 -25.449 -0.370 1.00 0.22 H new ATOM 74 N THR A 533 10.002 -26.454 -7.830 1.00 41.45 N ATOM 75 CA THR A 533 9.379 -26.872 -9.075 1.00 64.22 C ATOM 76 C THR A 533 10.365 -27.809 -9.770 1.00 43.14 C ATOM 77 O THR A 533 11.544 -27.819 -9.429 1.00 2.53 O ATOM 78 CB THR A 533 9.058 -25.613 -9.942 1.00 63.22 C ATOM 79 OG1 THR A 533 8.304 -25.986 -11.099 1.00 4.34 O ATOM 80 CG2 THR A 533 10.310 -24.913 -10.390 1.00 42.20 C ATOM 0 H THR A 533 11.020 -26.521 -7.829 1.00 41.45 H new ATOM 0 HA THR A 533 8.436 -27.393 -8.908 1.00 64.22 H new ATOM 0 HB THR A 533 8.479 -24.933 -9.317 1.00 63.22 H new ATOM 0 HG1 THR A 533 8.378 -25.283 -11.778 1.00 4.34 H new ATOM 0 HG21 THR A 533 10.045 -24.043 -10.990 1.00 42.20 H new ATOM 0 HG22 THR A 533 10.880 -24.592 -9.518 1.00 42.20 H new ATOM 0 HG23 THR A 533 10.915 -25.596 -10.987 1.00 42.20 H new ATOM 88 N PHE A 534 9.899 -28.597 -10.724 1.00 10.11 N ATOM 89 CA PHE A 534 10.768 -29.483 -11.486 1.00 61.50 C ATOM 90 C PHE A 534 11.138 -28.811 -12.790 1.00 5.21 C ATOM 91 O PHE A 534 10.573 -27.776 -13.154 1.00 52.22 O ATOM 92 CB PHE A 534 10.072 -30.812 -11.799 1.00 65.43 C ATOM 93 CG PHE A 534 9.783 -31.667 -10.599 1.00 54.20 C ATOM 94 CD1 PHE A 534 10.395 -31.479 -9.348 1.00 23.44 C ATOM 95 CD2 PHE A 534 8.879 -32.700 -10.750 1.00 34.22 C ATOM 96 CE1 PHE A 534 10.053 -32.332 -8.254 1.00 60.41 C ATOM 97 CE2 PHE A 534 8.548 -33.561 -9.702 1.00 13.12 C ATOM 98 CZ PHE A 534 9.115 -33.380 -8.448 1.00 13.43 C ATOM 0 H PHE A 534 8.916 -28.642 -10.992 1.00 10.11 H new ATOM 0 HA PHE A 534 11.656 -29.687 -10.888 1.00 61.50 H new ATOM 0 HB2 PHE A 534 9.134 -30.603 -12.314 1.00 65.43 H new ATOM 0 HB3 PHE A 534 10.695 -31.379 -12.490 1.00 65.43 H new ATOM 0 HD1 PHE A 534 11.122 -30.692 -9.214 1.00 23.44 H new ATOM 0 HD2 PHE A 534 8.412 -32.847 -11.713 1.00 34.22 H new ATOM 0 HE1 PHE A 534 10.505 -32.180 -7.285 1.00 60.41 H new ATOM 0 HE2 PHE A 534 7.850 -34.369 -9.867 1.00 13.12 H new ATOM 0 HZ PHE A 534 8.845 -34.030 -7.628 1.00 13.43 H new ATOM 108 N GLU A 535 12.104 -29.407 -13.471 1.00 31.41 N ATOM 109 CA GLU A 535 12.630 -28.895 -14.733 1.00 61.22 C ATOM 110 C GLU A 535 11.631 -28.910 -15.868 1.00 10.22 C ATOM 111 O GLU A 535 11.585 -27.989 -16.678 1.00 51.04 O ATOM 112 CB GLU A 535 13.818 -29.761 -15.131 1.00 44.41 C ATOM 113 CG GLU A 535 15.141 -29.185 -14.668 1.00 21.31 C ATOM 114 CD GLU A 535 16.346 -29.936 -15.202 1.00 25.24 C ATOM 115 OE1 GLU A 535 16.169 -30.938 -15.921 1.00 71.43 O ATOM 116 OE2 GLU A 535 17.480 -29.559 -14.833 1.00 14.35 O ATOM 0 H GLU A 535 12.552 -30.270 -13.162 1.00 31.41 H new ATOM 0 HA GLU A 535 12.900 -27.852 -14.567 1.00 61.22 H new ATOM 0 HB2 GLU A 535 13.693 -30.758 -14.710 1.00 44.41 H new ATOM 0 HB3 GLU A 535 13.834 -29.873 -16.215 1.00 44.41 H new ATOM 0 HG2 GLU A 535 15.204 -28.143 -14.981 1.00 21.31 H new ATOM 0 HG3 GLU A 535 15.171 -29.193 -13.578 1.00 21.31 H new ATOM 123 N CYS A 536 10.848 -29.971 -15.944 1.00 74.43 N ATOM 124 CA CYS A 536 9.876 -30.133 -17.012 1.00 2.12 C ATOM 125 C CYS A 536 8.658 -30.788 -16.409 1.00 73.23 C ATOM 126 O CYS A 536 8.668 -31.165 -15.241 1.00 43.44 O ATOM 127 CB CYS A 536 10.458 -31.012 -18.132 1.00 31.23 C ATOM 128 SG CYS A 536 11.851 -30.247 -19.001 1.00 41.32 S ATOM 0 H CYS A 536 10.866 -30.739 -15.273 1.00 74.43 H new ATOM 0 HA CYS A 536 9.617 -29.169 -17.450 1.00 2.12 H new ATOM 0 HB2 CYS A 536 10.783 -31.961 -17.706 1.00 31.23 H new ATOM 0 HB3 CYS A 536 9.671 -31.238 -18.852 1.00 31.23 H new ATOM 0 HG CYS A 536 12.094 -29.078 -18.487 1.00 41.32 H new ATOM 134 N ASP A 537 7.625 -30.950 -17.219 1.00 30.23 N ATOM 135 CA ASP A 537 6.406 -31.639 -16.808 1.00 3.02 C ATOM 136 C ASP A 537 6.172 -32.863 -17.695 1.00 35.35 C ATOM 137 O ASP A 537 5.218 -33.591 -17.484 1.00 41.41 O ATOM 138 CB ASP A 537 5.206 -30.686 -16.854 1.00 21.32 C ATOM 139 CG ASP A 537 5.222 -29.778 -18.066 1.00 13.44 C ATOM 140 OD1 ASP A 537 5.688 -30.187 -19.152 1.00 61.44 O ATOM 141 OD2 ASP A 537 4.860 -28.590 -17.883 1.00 20.41 O ATOM 0 H ASP A 537 7.605 -30.609 -18.180 1.00 30.23 H new ATOM 0 HA ASP A 537 6.522 -31.978 -15.779 1.00 3.02 H new ATOM 0 HB2 ASP A 537 4.285 -31.269 -16.855 1.00 21.32 H new ATOM 0 HB3 ASP A 537 5.197 -30.077 -15.950 1.00 21.32 H new ATOM 146 N THR A 538 7.090 -33.127 -18.621 1.00 61.31 N ATOM 147 CA THR A 538 7.043 -34.302 -19.485 1.00 70.12 C ATOM 148 C THR A 538 8.466 -34.861 -19.650 1.00 63.14 C ATOM 149 O THR A 538 9.398 -34.128 -19.984 1.00 35.44 O ATOM 150 CB THR A 538 6.485 -33.938 -20.879 1.00 70.21 C ATOM 151 OG1 THR A 538 5.251 -33.235 -20.734 1.00 53.30 O ATOM 152 CG2 THR A 538 6.225 -35.183 -21.717 1.00 74.24 C ATOM 0 H THR A 538 7.895 -32.525 -18.794 1.00 61.31 H new ATOM 0 HA THR A 538 6.389 -35.044 -19.027 1.00 70.12 H new ATOM 0 HB THR A 538 7.229 -33.319 -21.380 1.00 70.21 H new ATOM 0 HG1 THR A 538 4.900 -33.004 -21.619 1.00 53.30 H new ATOM 0 HG21 THR A 538 5.833 -34.891 -22.691 1.00 74.24 H new ATOM 0 HG22 THR A 538 7.157 -35.733 -21.851 1.00 74.24 H new ATOM 0 HG23 THR A 538 5.499 -35.818 -21.210 1.00 74.24 H new ATOM 160 N ILE A 539 8.609 -36.148 -19.395 1.00 61.52 N ATOM 161 CA ILE A 539 9.867 -36.903 -19.497 1.00 22.44 C ATOM 162 C ILE A 539 9.503 -38.302 -19.998 1.00 11.33 C ATOM 163 O ILE A 539 8.354 -38.711 -19.901 1.00 55.45 O ATOM 164 CB ILE A 539 10.607 -36.998 -18.103 1.00 44.44 C ATOM 165 CG1 ILE A 539 12.058 -37.488 -18.275 1.00 0.11 C ATOM 166 CG2 ILE A 539 9.798 -37.862 -17.068 1.00 75.31 C ATOM 167 CD1 ILE A 539 12.368 -38.834 -17.685 1.00 54.53 C ATOM 0 H ILE A 539 7.826 -36.730 -19.098 1.00 61.52 H new ATOM 0 HA ILE A 539 10.551 -36.398 -20.179 1.00 22.44 H new ATOM 0 HB ILE A 539 10.658 -35.992 -17.686 1.00 44.44 H new ATOM 0 HG12 ILE A 539 12.288 -37.518 -19.340 1.00 0.11 H new ATOM 0 HG13 ILE A 539 12.725 -36.753 -17.825 1.00 0.11 H new ATOM 0 HG21 ILE A 539 10.341 -37.902 -16.124 1.00 75.31 H new ATOM 0 HG22 ILE A 539 8.819 -37.412 -16.905 1.00 75.31 H new ATOM 0 HG23 ILE A 539 9.672 -38.872 -17.457 1.00 75.31 H new ATOM 0 HD11 ILE A 539 13.415 -39.078 -17.865 1.00 54.53 H new ATOM 0 HD12 ILE A 539 12.179 -38.813 -16.612 1.00 54.53 H new ATOM 0 HD13 ILE A 539 11.735 -39.590 -18.150 1.00 54.53 H new ATOM 179 N HIS A 540 10.460 -39.029 -20.544 1.00 14.43 N ATOM 180 CA HIS A 540 10.264 -40.429 -20.903 1.00 11.41 C ATOM 181 C HIS A 540 11.488 -41.156 -20.366 1.00 13.40 C ATOM 182 O HIS A 540 12.589 -40.627 -20.477 1.00 60.34 O ATOM 183 CB HIS A 540 10.214 -40.613 -22.420 1.00 33.53 C ATOM 184 CG HIS A 540 8.899 -40.244 -23.042 1.00 20.32 C ATOM 185 ND1 HIS A 540 8.038 -39.210 -22.829 1.00 20.02 N flip ATOM 186 CD2 HIS A 540 8.294 -41.000 -24.048 1.00 23.53 C flip ATOM 187 CE1 HIS A 540 6.972 -39.358 -23.662 1.00 71.20 C flip ATOM 188 NE2 HIS A 540 7.145 -40.433 -24.381 1.00 44.43 N flip ATOM 0 H HIS A 540 11.392 -38.672 -20.752 1.00 14.43 H new ATOM 0 HA HIS A 540 9.325 -40.804 -20.496 1.00 11.41 H new ATOM 0 HB2 HIS A 540 11.000 -40.009 -22.874 1.00 33.53 H new ATOM 0 HB3 HIS A 540 10.435 -41.654 -22.656 1.00 33.53 H new ATOM 0 HD2 HIS A 540 8.698 -41.902 -24.484 1.00 23.53 H new ATOM 0 HE1 HIS A 540 6.122 -38.694 -23.719 1.00 71.20 H new ATOM 0 HE2 HIS A 540 6.497 -40.781 -25.088 1.00 44.43 H new ATOM 196 N VAL A 541 11.309 -42.346 -19.812 1.00 1.03 N ATOM 197 CA VAL A 541 12.448 -43.209 -19.456 1.00 23.45 C ATOM 198 C VAL A 541 12.201 -44.580 -20.046 1.00 13.04 C ATOM 199 O VAL A 541 11.078 -44.929 -20.323 1.00 73.55 O ATOM 200 CB VAL A 541 12.698 -43.377 -17.902 1.00 41.15 C ATOM 201 CG1 VAL A 541 13.040 -42.063 -17.270 1.00 35.34 C ATOM 202 CG2 VAL A 541 11.490 -44.012 -17.163 1.00 73.31 C ATOM 0 H VAL A 541 10.395 -42.743 -19.596 1.00 1.03 H new ATOM 0 HA VAL A 541 13.337 -42.722 -19.856 1.00 23.45 H new ATOM 0 HB VAL A 541 13.541 -44.061 -17.802 1.00 41.15 H new ATOM 0 HG11 VAL A 541 13.207 -42.205 -16.202 1.00 35.34 H new ATOM 0 HG12 VAL A 541 13.944 -41.663 -17.729 1.00 35.34 H new ATOM 0 HG13 VAL A 541 12.218 -41.363 -17.418 1.00 35.34 H new ATOM 0 HG21 VAL A 541 11.720 -44.102 -16.101 1.00 73.31 H new ATOM 0 HG22 VAL A 541 10.611 -43.380 -17.292 1.00 73.31 H new ATOM 0 HG23 VAL A 541 11.289 -45.001 -17.576 1.00 73.31 H new ATOM 212 N SER A 542 13.251 -45.364 -20.184 1.00 40.42 N ATOM 213 CA SER A 542 13.134 -46.763 -20.580 1.00 32.05 C ATOM 214 C SER A 542 13.375 -47.526 -19.298 1.00 12.14 C ATOM 215 O SER A 542 14.113 -47.054 -18.462 1.00 34.13 O ATOM 216 CB SER A 542 14.212 -47.110 -21.609 1.00 32.04 C ATOM 217 OG SER A 542 14.386 -48.511 -21.754 1.00 35.10 O ATOM 0 H SER A 542 14.210 -45.055 -20.026 1.00 40.42 H new ATOM 0 HA SER A 542 12.171 -46.995 -21.036 1.00 32.05 H new ATOM 0 HB2 SER A 542 13.944 -46.678 -22.573 1.00 32.04 H new ATOM 0 HB3 SER A 542 15.157 -46.658 -21.309 1.00 32.04 H new ATOM 0 HG SER A 542 13.510 -48.950 -21.765 1.00 35.10 H new ATOM 223 N GLU A 543 12.805 -48.706 -19.161 1.00 4.12 N ATOM 224 CA GLU A 543 13.046 -49.585 -18.009 1.00 44.45 C ATOM 225 C GLU A 543 14.535 -49.858 -17.822 1.00 1.24 C ATOM 226 O GLU A 543 15.028 -49.964 -16.697 1.00 51.25 O ATOM 227 CB GLU A 543 12.327 -50.938 -18.190 1.00 33.24 C ATOM 228 CG GLU A 543 11.529 -51.108 -19.504 1.00 62.11 C ATOM 229 CD GLU A 543 12.404 -50.991 -20.762 1.00 64.32 C ATOM 230 OE1 GLU A 543 13.460 -51.649 -20.840 1.00 33.30 O ATOM 231 OE2 GLU A 543 12.130 -50.065 -21.570 1.00 75.43 O ATOM 0 H GLU A 543 12.155 -49.095 -19.844 1.00 4.12 H new ATOM 0 HA GLU A 543 12.656 -49.069 -17.131 1.00 44.45 H new ATOM 0 HB2 GLU A 543 13.071 -51.733 -18.134 1.00 33.24 H new ATOM 0 HB3 GLU A 543 11.644 -51.080 -17.352 1.00 33.24 H new ATOM 0 HG2 GLU A 543 11.038 -52.081 -19.500 1.00 62.11 H new ATOM 0 HG3 GLU A 543 10.743 -50.354 -19.544 1.00 62.11 H new ATOM 238 N SER A 544 15.250 -49.904 -18.935 1.00 52.24 N ATOM 239 CA SER A 544 16.684 -50.186 -18.957 1.00 62.14 C ATOM 240 C SER A 544 17.508 -49.121 -18.237 1.00 52.02 C ATOM 241 O SER A 544 18.691 -49.328 -17.958 1.00 42.15 O ATOM 242 CB SER A 544 17.163 -50.294 -20.407 1.00 35.22 C ATOM 243 OG SER A 544 18.544 -50.624 -20.461 1.00 13.13 O ATOM 0 H SER A 544 14.851 -49.746 -19.860 1.00 52.24 H new ATOM 0 HA SER A 544 16.832 -51.128 -18.428 1.00 62.14 H new ATOM 0 HB2 SER A 544 16.583 -51.054 -20.930 1.00 35.22 H new ATOM 0 HB3 SER A 544 16.990 -49.349 -20.923 1.00 35.22 H new ATOM 0 HG SER A 544 18.972 -50.378 -19.615 1.00 13.13 H new ATOM 249 N ILE A 545 16.895 -47.987 -17.922 1.00 30.32 N ATOM 250 CA ILE A 545 17.572 -46.943 -17.174 1.00 63.03 C ATOM 251 C ILE A 545 17.826 -47.407 -15.737 1.00 5.54 C ATOM 252 O ILE A 545 18.782 -46.967 -15.090 1.00 71.52 O ATOM 253 CB ILE A 545 16.728 -45.637 -17.158 1.00 71.30 C ATOM 254 CG1 ILE A 545 17.636 -44.449 -16.828 1.00 30.22 C ATOM 255 CG2 ILE A 545 15.520 -45.754 -16.176 1.00 52.21 C ATOM 256 CD1 ILE A 545 16.898 -43.172 -16.568 1.00 0.13 C ATOM 0 H ILE A 545 15.931 -47.770 -18.174 1.00 30.32 H new ATOM 0 HA ILE A 545 18.524 -46.737 -17.663 1.00 63.03 H new ATOM 0 HB ILE A 545 16.299 -45.472 -18.146 1.00 71.30 H new ATOM 0 HG12 ILE A 545 18.235 -44.695 -15.951 1.00 30.22 H new ATOM 0 HG13 ILE A 545 18.329 -44.294 -17.655 1.00 30.22 H new ATOM 0 HG21 ILE A 545 14.950 -44.825 -16.188 1.00 52.21 H new ATOM 0 HG22 ILE A 545 14.877 -46.578 -16.486 1.00 52.21 H new ATOM 0 HG23 ILE A 545 15.888 -45.941 -15.167 1.00 52.21 H new ATOM 0 HD11 ILE A 545 17.611 -42.379 -16.342 1.00 0.13 H new ATOM 0 HD12 ILE A 545 16.320 -42.899 -17.451 1.00 0.13 H new ATOM 0 HD13 ILE A 545 16.225 -43.307 -15.721 1.00 0.13 H new ATOM 268 N GLY A 546 16.958 -48.271 -15.217 1.00 65.24 N ATOM 269 CA GLY A 546 17.095 -48.715 -13.849 1.00 55.44 C ATOM 270 C GLY A 546 16.474 -47.765 -12.863 1.00 51.00 C ATOM 271 O GLY A 546 15.581 -48.124 -12.100 1.00 34.34 O ATOM 0 H GLY A 546 16.165 -48.668 -15.721 1.00 65.24 H new ATOM 0 HA2 GLY A 546 16.632 -49.696 -13.742 1.00 55.44 H new ATOM 0 HA3 GLY A 546 18.153 -48.834 -13.615 1.00 55.44 H new ATOM 275 N VAL A 547 16.989 -46.549 -12.852 1.00 12.31 N ATOM 276 CA VAL A 547 16.554 -45.533 -11.912 1.00 73.03 C ATOM 277 C VAL A 547 16.302 -44.208 -12.631 1.00 23.14 C ATOM 278 O VAL A 547 17.200 -43.629 -13.231 1.00 12.40 O ATOM 279 CB VAL A 547 17.604 -45.366 -10.779 1.00 34.41 C ATOM 280 CG1 VAL A 547 17.253 -44.203 -9.857 1.00 53.51 C ATOM 281 CG2 VAL A 547 17.691 -46.659 -9.932 1.00 72.03 C ATOM 0 H VAL A 547 17.719 -46.239 -13.493 1.00 12.31 H new ATOM 0 HA VAL A 547 15.614 -45.851 -11.461 1.00 73.03 H new ATOM 0 HB VAL A 547 18.563 -45.163 -11.256 1.00 34.41 H new ATOM 0 HG11 VAL A 547 18.009 -44.116 -9.077 1.00 53.51 H new ATOM 0 HG12 VAL A 547 17.219 -43.279 -10.434 1.00 53.51 H new ATOM 0 HG13 VAL A 547 16.279 -44.382 -9.400 1.00 53.51 H new ATOM 0 HG21 VAL A 547 18.431 -46.527 -9.142 1.00 72.03 H new ATOM 0 HG22 VAL A 547 16.718 -46.869 -9.487 1.00 72.03 H new ATOM 0 HG23 VAL A 547 17.986 -47.493 -10.570 1.00 72.03 H new ATOM 291 N MET A 548 15.061 -43.749 -12.566 1.00 53.42 N ATOM 292 CA MET A 548 14.638 -42.491 -13.178 1.00 41.14 C ATOM 293 C MET A 548 15.008 -41.353 -12.224 1.00 64.24 C ATOM 294 O MET A 548 15.118 -41.573 -11.014 1.00 24.54 O ATOM 295 CB MET A 548 13.122 -42.509 -13.448 1.00 61.22 C ATOM 296 CG MET A 548 12.299 -41.938 -12.291 1.00 55.21 C ATOM 297 SD MET A 548 11.939 -40.145 -12.296 1.00 73.44 S ATOM 298 CE MET A 548 11.713 -39.727 -13.986 1.00 62.30 C ATOM 0 H MET A 548 14.310 -44.242 -12.083 1.00 53.42 H new ATOM 0 HA MET A 548 15.139 -42.349 -14.136 1.00 41.14 H new ATOM 0 HB2 MET A 548 12.913 -41.936 -14.352 1.00 61.22 H new ATOM 0 HB3 MET A 548 12.805 -43.534 -13.640 1.00 61.22 H new ATOM 0 HG2 MET A 548 11.348 -42.469 -12.264 1.00 55.21 H new ATOM 0 HG3 MET A 548 12.821 -42.171 -11.363 1.00 55.21 H new ATOM 0 HE1 MET A 548 11.099 -38.829 -14.060 1.00 62.30 H new ATOM 0 HE2 MET A 548 12.683 -39.542 -14.448 1.00 62.30 H new ATOM 0 HE3 MET A 548 11.217 -40.549 -14.501 1.00 62.30 H new ATOM 308 N GLU A 549 15.224 -40.158 -12.755 1.00 73.50 N ATOM 309 CA GLU A 549 15.472 -38.992 -11.906 1.00 42.13 C ATOM 310 C GLU A 549 14.784 -37.711 -12.380 1.00 61.13 C ATOM 311 O GLU A 549 14.860 -37.355 -13.562 1.00 42.53 O ATOM 312 CB GLU A 549 16.974 -38.724 -11.772 1.00 14.25 C ATOM 313 CG GLU A 549 17.381 -38.556 -10.339 1.00 63.15 C ATOM 314 CD GLU A 549 18.887 -38.402 -10.142 1.00 33.42 C ATOM 315 OE1 GLU A 549 19.581 -37.961 -11.080 1.00 24.31 O ATOM 316 OE2 GLU A 549 19.360 -38.651 -9.005 1.00 72.13 O ATOM 0 H GLU A 549 15.234 -39.967 -13.757 1.00 73.50 H new ATOM 0 HA GLU A 549 15.037 -39.252 -10.941 1.00 42.13 H new ATOM 0 HB2 GLU A 549 17.532 -39.549 -12.215 1.00 14.25 H new ATOM 0 HB3 GLU A 549 17.235 -37.826 -12.332 1.00 14.25 H new ATOM 0 HG2 GLU A 549 16.879 -37.680 -9.928 1.00 63.15 H new ATOM 0 HG3 GLU A 549 17.035 -39.418 -9.769 1.00 63.15 H new ATOM 323 N VAL A 550 14.198 -36.973 -11.440 1.00 51.45 N ATOM 324 CA VAL A 550 13.639 -35.647 -11.744 1.00 33.12 C ATOM 325 C VAL A 550 14.474 -34.620 -11.024 1.00 41.31 C ATOM 326 O VAL A 550 14.898 -34.815 -9.894 1.00 70.33 O ATOM 327 CB VAL A 550 12.134 -35.457 -11.343 1.00 32.33 C ATOM 328 CG1 VAL A 550 11.351 -36.689 -11.666 1.00 52.11 C ATOM 329 CG2 VAL A 550 11.957 -35.075 -9.874 1.00 23.32 C ATOM 0 H VAL A 550 14.096 -37.263 -10.467 1.00 51.45 H new ATOM 0 HA VAL A 550 13.668 -35.533 -12.828 1.00 33.12 H new ATOM 0 HB VAL A 550 11.750 -34.623 -11.931 1.00 32.33 H new ATOM 0 HG11 VAL A 550 10.309 -36.543 -11.382 1.00 52.11 H new ATOM 0 HG12 VAL A 550 11.411 -36.888 -12.736 1.00 52.11 H new ATOM 0 HG13 VAL A 550 11.761 -37.536 -11.116 1.00 52.11 H new ATOM 0 HG21 VAL A 550 10.896 -34.957 -9.654 1.00 23.32 H new ATOM 0 HG22 VAL A 550 12.374 -35.859 -9.241 1.00 23.32 H new ATOM 0 HG23 VAL A 550 12.475 -34.136 -9.677 1.00 23.32 H new ATOM 339 N LYS A 551 14.754 -33.543 -11.725 1.00 51.51 N ATOM 340 CA LYS A 551 15.629 -32.499 -11.244 1.00 41.42 C ATOM 341 C LYS A 551 14.747 -31.437 -10.594 1.00 52.31 C ATOM 342 O LYS A 551 13.838 -30.896 -11.233 1.00 64.43 O ATOM 343 CB LYS A 551 16.433 -31.941 -12.430 1.00 23.34 C ATOM 344 CG LYS A 551 17.345 -32.991 -13.174 1.00 35.34 C ATOM 345 CD LYS A 551 16.582 -33.874 -14.224 1.00 65.33 C ATOM 346 CE LYS A 551 17.498 -34.866 -14.935 1.00 71.10 C ATOM 347 NZ LYS A 551 16.699 -35.819 -15.806 1.00 72.22 N ATOM 0 H LYS A 551 14.376 -33.367 -12.656 1.00 51.51 H new ATOM 0 HA LYS A 551 16.346 -32.864 -10.508 1.00 41.42 H new ATOM 0 HB2 LYS A 551 15.737 -31.512 -13.151 1.00 23.34 H new ATOM 0 HB3 LYS A 551 17.062 -31.126 -12.071 1.00 23.34 H new ATOM 0 HG2 LYS A 551 18.152 -32.461 -13.679 1.00 35.34 H new ATOM 0 HG3 LYS A 551 17.807 -33.644 -12.433 1.00 35.34 H new ATOM 0 HD2 LYS A 551 15.783 -34.419 -13.722 1.00 65.33 H new ATOM 0 HD3 LYS A 551 16.111 -33.226 -14.963 1.00 65.33 H new ATOM 0 HE2 LYS A 551 18.219 -34.325 -15.548 1.00 71.10 H new ATOM 0 HE3 LYS A 551 18.068 -35.432 -14.198 1.00 71.10 H new ATOM 0 HZ1 LYS A 551 17.350 -36.439 -16.330 1.00 72.22 H new ATOM 0 HZ2 LYS A 551 16.077 -36.398 -15.207 1.00 72.22 H new ATOM 0 HZ3 LYS A 551 16.123 -35.274 -16.479 1.00 72.22 H new ATOM 361 N VAL A 552 14.960 -31.208 -9.306 1.00 55.25 N ATOM 362 CA VAL A 552 14.147 -30.284 -8.514 1.00 12.22 C ATOM 363 C VAL A 552 14.903 -28.971 -8.295 1.00 71.32 C ATOM 364 O VAL A 552 15.981 -28.956 -7.693 1.00 61.31 O ATOM 365 CB VAL A 552 13.807 -30.876 -7.105 1.00 61.42 C ATOM 366 CG1 VAL A 552 12.640 -30.094 -6.472 1.00 61.14 C ATOM 367 CG2 VAL A 552 13.457 -32.392 -7.190 1.00 62.13 C ATOM 0 H VAL A 552 15.705 -31.658 -8.774 1.00 55.25 H new ATOM 0 HA VAL A 552 13.225 -30.116 -9.070 1.00 12.22 H new ATOM 0 HB VAL A 552 14.692 -30.775 -6.476 1.00 61.42 H new ATOM 0 HG11 VAL A 552 12.410 -30.513 -5.492 1.00 61.14 H new ATOM 0 HG12 VAL A 552 12.921 -29.047 -6.362 1.00 61.14 H new ATOM 0 HG13 VAL A 552 11.762 -30.169 -7.113 1.00 61.14 H new ATOM 0 HG21 VAL A 552 13.227 -32.769 -6.193 1.00 62.13 H new ATOM 0 HG22 VAL A 552 12.592 -32.530 -7.839 1.00 62.13 H new ATOM 0 HG23 VAL A 552 14.307 -32.939 -7.597 1.00 62.13 H new ATOM 377 N LEU A 553 14.341 -27.881 -8.798 1.00 64.00 N ATOM 378 CA LEU A 553 14.931 -26.557 -8.687 1.00 51.44 C ATOM 379 C LEU A 553 14.150 -25.720 -7.697 1.00 61.53 C ATOM 380 O LEU A 553 12.987 -26.007 -7.390 1.00 12.24 O ATOM 381 CB LEU A 553 14.882 -25.813 -10.023 1.00 20.25 C ATOM 382 CG LEU A 553 15.211 -26.534 -11.334 1.00 52.41 C ATOM 383 CD1 LEU A 553 16.463 -27.427 -11.273 1.00 25.51 C ATOM 384 CD2 LEU A 553 14.018 -27.297 -11.826 1.00 73.22 C ATOM 0 H LEU A 553 13.453 -27.893 -9.300 1.00 64.00 H new ATOM 0 HA LEU A 553 15.964 -26.696 -8.367 1.00 51.44 H new ATOM 0 HB2 LEU A 553 13.877 -25.405 -10.126 1.00 20.25 H new ATOM 0 HB3 LEU A 553 15.564 -24.966 -9.943 1.00 20.25 H new ATOM 0 HG LEU A 553 15.460 -25.752 -12.051 1.00 52.41 H new ATOM 0 HD11 LEU A 553 16.621 -27.898 -12.243 1.00 25.51 H new ATOM 0 HD12 LEU A 553 17.331 -26.819 -11.019 1.00 25.51 H new ATOM 0 HD13 LEU A 553 16.324 -28.197 -10.514 1.00 25.51 H new ATOM 0 HD21 LEU A 553 14.269 -27.803 -12.758 1.00 73.22 H new ATOM 0 HD22 LEU A 553 13.725 -28.035 -11.080 1.00 73.22 H new ATOM 0 HD23 LEU A 553 13.191 -26.608 -11.999 1.00 73.22 H new ATOM 396 N ARG A 554 14.780 -24.658 -7.231 1.00 54.50 N ATOM 397 CA ARG A 554 14.154 -23.724 -6.319 1.00 23.22 C ATOM 398 C ARG A 554 14.414 -22.296 -6.848 1.00 51.34 C ATOM 399 O ARG A 554 15.461 -22.048 -7.443 1.00 64.10 O ATOM 400 CB ARG A 554 14.717 -24.004 -4.906 1.00 43.50 C ATOM 401 CG ARG A 554 14.639 -22.863 -3.907 1.00 12.42 C ATOM 402 CD ARG A 554 15.996 -22.185 -3.714 1.00 63.22 C ATOM 403 NE ARG A 554 16.753 -22.047 -4.981 1.00 13.30 N ATOM 404 CZ ARG A 554 17.814 -21.280 -5.205 1.00 13.13 C ATOM 405 NH1 ARG A 554 18.356 -20.522 -4.290 1.00 71.30 N ATOM 406 NH2 ARG A 554 18.338 -21.279 -6.396 1.00 23.24 N ATOM 0 H ARG A 554 15.741 -24.420 -7.475 1.00 54.50 H new ATOM 0 HA ARG A 554 13.072 -23.834 -6.253 1.00 23.22 H new ATOM 0 HB2 ARG A 554 14.184 -24.859 -4.490 1.00 43.50 H new ATOM 0 HB3 ARG A 554 15.762 -24.298 -5.007 1.00 43.50 H new ATOM 0 HG2 ARG A 554 13.911 -22.128 -4.250 1.00 12.42 H new ATOM 0 HG3 ARG A 554 14.282 -23.242 -2.949 1.00 12.42 H new ATOM 0 HD2 ARG A 554 15.845 -21.198 -3.276 1.00 63.22 H new ATOM 0 HD3 ARG A 554 16.588 -22.762 -3.003 1.00 63.22 H new ATOM 0 HE ARG A 554 16.422 -22.603 -5.769 1.00 13.30 H new ATOM 0 HH11 ARG A 554 17.964 -20.500 -3.348 1.00 71.30 H new ATOM 0 HH12 ARG A 554 19.171 -19.952 -4.517 1.00 71.30 H new ATOM 0 HH21 ARG A 554 17.934 -21.858 -7.132 1.00 23.24 H new ATOM 0 HH22 ARG A 554 19.153 -20.699 -6.594 1.00 23.24 H new ATOM 420 N THR A 555 13.469 -21.381 -6.650 1.00 21.31 N ATOM 421 CA THR A 555 13.638 -19.955 -7.048 1.00 42.11 C ATOM 422 C THR A 555 14.637 -19.251 -6.125 1.00 44.32 C ATOM 423 O THR A 555 15.019 -19.811 -5.129 1.00 4.14 O ATOM 424 CB THR A 555 12.287 -19.167 -7.006 1.00 41.41 C ATOM 425 OG1 THR A 555 12.406 -17.984 -7.801 1.00 0.31 O ATOM 426 CG2 THR A 555 11.911 -18.733 -5.575 1.00 2.02 C ATOM 0 H THR A 555 12.569 -21.586 -6.216 1.00 21.31 H new ATOM 0 HA THR A 555 14.009 -19.962 -8.073 1.00 42.11 H new ATOM 0 HB THR A 555 11.513 -19.833 -7.386 1.00 41.41 H new ATOM 0 HG1 THR A 555 11.561 -17.488 -7.779 1.00 0.31 H new ATOM 0 HG21 THR A 555 10.966 -18.190 -5.596 1.00 2.02 H new ATOM 0 HG22 THR A 555 11.808 -19.615 -4.942 1.00 2.02 H new ATOM 0 HG23 THR A 555 12.692 -18.087 -5.174 1.00 2.02 H new ATOM 434 N SER A 556 15.013 -18.009 -6.409 1.00 72.45 N ATOM 435 CA SER A 556 15.980 -17.246 -5.589 1.00 33.53 C ATOM 436 C SER A 556 15.571 -16.911 -4.129 1.00 31.25 C ATOM 437 O SER A 556 16.103 -15.985 -3.527 1.00 31.51 O ATOM 438 CB SER A 556 16.279 -15.937 -6.313 1.00 33.44 C ATOM 439 OG SER A 556 16.333 -16.170 -7.711 1.00 42.20 O ATOM 0 H SER A 556 14.662 -17.491 -7.214 1.00 72.45 H new ATOM 0 HA SER A 556 16.838 -17.910 -5.484 1.00 33.53 H new ATOM 0 HB2 SER A 556 15.509 -15.200 -6.086 1.00 33.44 H new ATOM 0 HB3 SER A 556 17.227 -15.525 -5.966 1.00 33.44 H new ATOM 0 HG SER A 556 16.523 -15.328 -8.176 1.00 42.20 H new ATOM 445 N GLY A 557 14.651 -17.682 -3.568 1.00 32.10 N ATOM 446 CA GLY A 557 14.176 -17.497 -2.208 1.00 1.23 C ATOM 447 C GLY A 557 14.877 -18.373 -1.174 1.00 12.22 C ATOM 448 O GLY A 557 14.298 -18.698 -0.168 1.00 23.14 O ATOM 0 H GLY A 557 14.209 -18.463 -4.052 1.00 32.10 H new ATOM 0 HA2 GLY A 557 14.306 -16.451 -1.929 1.00 1.23 H new ATOM 0 HA3 GLY A 557 13.106 -17.704 -2.178 1.00 1.23 H new ATOM 452 N ALA A 558 16.083 -18.861 -1.418 1.00 54.33 N ATOM 453 CA ALA A 558 16.679 -19.807 -0.461 1.00 33.12 C ATOM 454 C ALA A 558 17.110 -19.163 0.847 1.00 25.21 C ATOM 455 O ALA A 558 18.211 -18.624 0.965 1.00 40.52 O ATOM 456 CB ALA A 558 17.813 -20.525 -1.060 1.00 12.13 C ATOM 0 H ALA A 558 16.656 -18.636 -2.232 1.00 54.33 H new ATOM 0 HA ALA A 558 15.885 -20.513 -0.220 1.00 33.12 H new ATOM 0 HB1 ALA A 558 18.233 -21.216 -0.329 1.00 12.13 H new ATOM 0 HB2 ALA A 558 17.471 -21.082 -1.932 1.00 12.13 H new ATOM 0 HB3 ALA A 558 18.577 -19.810 -1.363 1.00 12.13 H new ATOM 462 N ARG A 559 16.234 -19.258 1.832 1.00 13.41 N ATOM 463 CA ARG A 559 16.471 -18.704 3.151 1.00 60.13 C ATOM 464 C ARG A 559 16.278 -19.830 4.144 1.00 61.44 C ATOM 465 O ARG A 559 15.166 -20.289 4.366 1.00 71.50 O ATOM 466 CB ARG A 559 15.487 -17.553 3.420 1.00 63.45 C ATOM 467 CG ARG A 559 15.438 -16.502 2.300 1.00 72.33 C ATOM 468 CD ARG A 559 16.762 -15.769 2.103 1.00 23.45 C ATOM 469 NE ARG A 559 16.669 -14.834 0.970 1.00 53.14 N ATOM 470 CZ ARG A 559 17.682 -14.159 0.444 1.00 41.22 C ATOM 471 NH1 ARG A 559 18.908 -14.275 0.896 1.00 73.01 N ATOM 472 NH2 ARG A 559 17.462 -13.352 -0.557 1.00 73.22 N ATOM 0 H ARG A 559 15.332 -19.725 1.737 1.00 13.41 H new ATOM 0 HA ARG A 559 17.478 -18.296 3.236 1.00 60.13 H new ATOM 0 HB2 ARG A 559 14.488 -17.967 3.561 1.00 63.45 H new ATOM 0 HB3 ARG A 559 15.763 -17.063 4.353 1.00 63.45 H new ATOM 0 HG2 ARG A 559 15.158 -16.989 1.366 1.00 72.33 H new ATOM 0 HG3 ARG A 559 14.658 -15.775 2.527 1.00 72.33 H new ATOM 0 HD2 ARG A 559 17.022 -15.225 3.011 1.00 23.45 H new ATOM 0 HD3 ARG A 559 17.560 -16.489 1.923 1.00 23.45 H new ATOM 0 HE ARG A 559 15.748 -14.693 0.555 1.00 53.14 H new ATOM 0 HH11 ARG A 559 19.107 -14.900 1.677 1.00 73.01 H new ATOM 0 HH12 ARG A 559 19.663 -13.740 0.466 1.00 73.01 H new ATOM 0 HH21 ARG A 559 16.518 -13.245 -0.928 1.00 73.22 H new ATOM 0 HH22 ARG A 559 18.234 -12.828 -0.969 1.00 73.22 H new ATOM 486 N GLY A 560 17.375 -20.302 4.700 1.00 44.40 N ATOM 487 CA GLY A 560 17.320 -21.359 5.683 1.00 15.30 C ATOM 488 C GLY A 560 17.330 -22.764 5.127 1.00 53.54 C ATOM 489 O GLY A 560 17.787 -23.006 4.004 1.00 3.24 O ATOM 0 H GLY A 560 18.315 -19.969 4.486 1.00 44.40 H new ATOM 0 HA2 GLY A 560 18.168 -21.248 6.359 1.00 15.30 H new ATOM 0 HA3 GLY A 560 16.418 -21.230 6.280 1.00 15.30 H new ATOM 493 N THR A 561 16.828 -23.684 5.933 1.00 23.13 N ATOM 494 CA THR A 561 16.787 -25.101 5.609 1.00 3.44 C ATOM 495 C THR A 561 15.324 -25.492 5.524 1.00 44.10 C ATOM 496 O THR A 561 14.508 -25.083 6.322 1.00 15.22 O ATOM 497 CB THR A 561 17.515 -25.922 6.690 1.00 32.15 C ATOM 498 OG1 THR A 561 18.870 -25.470 6.784 1.00 72.33 O ATOM 499 CG2 THR A 561 17.508 -27.402 6.379 1.00 75.14 C ATOM 0 H THR A 561 16.431 -23.464 6.846 1.00 23.13 H new ATOM 0 HA THR A 561 17.292 -25.301 4.664 1.00 3.44 H new ATOM 0 HB THR A 561 16.989 -25.776 7.634 1.00 32.15 H new ATOM 0 HG1 THR A 561 19.340 -25.987 7.471 1.00 72.33 H new ATOM 0 HG21 THR A 561 18.032 -27.942 7.168 1.00 75.14 H new ATOM 0 HG22 THR A 561 16.479 -27.756 6.319 1.00 75.14 H new ATOM 0 HG23 THR A 561 18.008 -27.576 5.426 1.00 75.14 H new ATOM 507 N VAL A 562 15.005 -26.212 4.475 1.00 13.54 N ATOM 508 CA VAL A 562 13.638 -26.585 4.101 1.00 45.02 C ATOM 509 C VAL A 562 13.638 -28.088 3.797 1.00 1.01 C ATOM 510 O VAL A 562 14.610 -28.595 3.277 1.00 62.31 O ATOM 511 CB VAL A 562 13.225 -25.788 2.811 1.00 53.43 C ATOM 512 CG1 VAL A 562 11.871 -26.234 2.264 1.00 11.40 C ATOM 513 CG2 VAL A 562 13.178 -24.275 3.087 1.00 52.15 C ATOM 0 H VAL A 562 15.706 -26.573 3.828 1.00 13.54 H new ATOM 0 HA VAL A 562 12.935 -26.356 4.902 1.00 45.02 H new ATOM 0 HB VAL A 562 13.988 -26.003 2.063 1.00 53.43 H new ATOM 0 HG11 VAL A 562 11.630 -25.654 1.373 1.00 11.40 H new ATOM 0 HG12 VAL A 562 11.913 -27.293 2.008 1.00 11.40 H new ATOM 0 HG13 VAL A 562 11.102 -26.074 3.020 1.00 11.40 H new ATOM 0 HG21 VAL A 562 12.890 -23.748 2.177 1.00 52.15 H new ATOM 0 HG22 VAL A 562 12.449 -24.071 3.871 1.00 52.15 H new ATOM 0 HG23 VAL A 562 14.162 -23.933 3.408 1.00 52.15 H new ATOM 523 N ILE A 563 12.552 -28.790 4.086 1.00 14.04 N ATOM 524 CA ILE A 563 12.427 -30.198 3.727 1.00 30.41 C ATOM 525 C ILE A 563 11.216 -30.333 2.794 1.00 71.32 C ATOM 526 O ILE A 563 10.206 -29.638 2.981 1.00 42.14 O ATOM 527 CB ILE A 563 12.325 -31.092 5.002 1.00 53.52 C ATOM 528 CG1 ILE A 563 13.070 -32.407 4.775 1.00 32.45 C ATOM 529 CG2 ILE A 563 10.862 -31.373 5.410 1.00 52.34 C ATOM 530 CD1 ILE A 563 13.514 -33.073 6.057 1.00 54.14 C ATOM 0 H ILE A 563 11.740 -28.407 4.570 1.00 14.04 H new ATOM 0 HA ILE A 563 13.315 -30.550 3.201 1.00 30.41 H new ATOM 0 HB ILE A 563 12.786 -30.543 5.823 1.00 53.52 H new ATOM 0 HG12 ILE A 563 12.425 -33.091 4.223 1.00 32.45 H new ATOM 0 HG13 ILE A 563 13.943 -32.218 4.151 1.00 32.45 H new ATOM 0 HG21 ILE A 563 10.847 -31.999 6.302 1.00 52.34 H new ATOM 0 HG22 ILE A 563 10.355 -30.431 5.619 1.00 52.34 H new ATOM 0 HG23 ILE A 563 10.350 -31.888 4.597 1.00 52.34 H new ATOM 0 HD11 ILE A 563 14.036 -34.001 5.823 1.00 54.14 H new ATOM 0 HD12 ILE A 563 14.184 -32.407 6.600 1.00 54.14 H new ATOM 0 HD13 ILE A 563 12.642 -33.293 6.674 1.00 54.14 H new ATOM 542 N VAL A 564 11.317 -31.161 1.757 1.00 24.04 N ATOM 543 CA VAL A 564 10.215 -31.324 0.797 1.00 14.11 C ATOM 544 C VAL A 564 9.919 -32.795 0.449 1.00 20.32 C ATOM 545 O VAL A 564 10.742 -33.463 -0.173 1.00 25.31 O ATOM 546 CB VAL A 564 10.493 -30.590 -0.551 1.00 30.25 C ATOM 547 CG1 VAL A 564 9.190 -30.530 -1.389 1.00 72.44 C ATOM 548 CG2 VAL A 564 11.025 -29.169 -0.305 1.00 62.23 C ATOM 0 H VAL A 564 12.141 -31.728 1.556 1.00 24.04 H new ATOM 0 HA VAL A 564 9.356 -30.888 1.308 1.00 14.11 H new ATOM 0 HB VAL A 564 11.254 -31.147 -1.098 1.00 30.25 H new ATOM 0 HG11 VAL A 564 9.386 -30.017 -2.330 1.00 72.44 H new ATOM 0 HG12 VAL A 564 8.842 -31.542 -1.593 1.00 72.44 H new ATOM 0 HG13 VAL A 564 8.425 -29.988 -0.833 1.00 72.44 H new ATOM 0 HG21 VAL A 564 11.211 -28.679 -1.261 1.00 62.23 H new ATOM 0 HG22 VAL A 564 10.288 -28.597 0.259 1.00 62.23 H new ATOM 0 HG23 VAL A 564 11.954 -29.222 0.262 1.00 62.23 H new ATOM 558 N PRO A 565 8.734 -33.311 0.826 1.00 43.41 N ATOM 559 CA PRO A 565 8.342 -34.663 0.414 1.00 52.41 C ATOM 560 C PRO A 565 7.912 -34.817 -1.020 1.00 13.31 C ATOM 561 O PRO A 565 7.423 -33.878 -1.644 1.00 43.12 O ATOM 562 CB PRO A 565 7.139 -34.962 1.321 1.00 23.02 C ATOM 563 CG PRO A 565 6.570 -33.651 1.613 1.00 12.02 C ATOM 564 CD PRO A 565 7.695 -32.680 1.655 1.00 64.14 C ATOM 0 HA PRO A 565 9.199 -35.331 0.501 1.00 52.41 H new ATOM 0 HB2 PRO A 565 6.416 -35.607 0.822 1.00 23.02 H new ATOM 0 HB3 PRO A 565 7.446 -35.474 2.233 1.00 23.02 H new ATOM 0 HG2 PRO A 565 5.846 -33.368 0.849 1.00 12.02 H new ATOM 0 HG3 PRO A 565 6.039 -33.666 2.565 1.00 12.02 H new ATOM 0 HD2 PRO A 565 7.400 -31.709 1.257 1.00 64.14 H new ATOM 0 HD3 PRO A 565 8.043 -32.514 2.675 1.00 64.14 H new ATOM 572 N PHE A 566 8.037 -36.041 -1.505 1.00 10.25 N ATOM 573 CA PHE A 566 7.596 -36.426 -2.828 1.00 2.43 C ATOM 574 C PHE A 566 7.038 -37.839 -2.756 1.00 51.31 C ATOM 575 O PHE A 566 7.336 -38.553 -1.799 1.00 5.42 O ATOM 576 CB PHE A 566 8.796 -36.399 -3.757 1.00 3.45 C ATOM 577 CG PHE A 566 9.885 -37.376 -3.373 1.00 41.31 C ATOM 578 CD1 PHE A 566 9.886 -38.687 -3.880 1.00 4.11 C ATOM 579 CD2 PHE A 566 10.924 -36.983 -2.509 1.00 42.04 C ATOM 580 CE1 PHE A 566 10.922 -39.596 -3.537 1.00 21.24 C ATOM 581 CE2 PHE A 566 11.963 -37.885 -2.162 1.00 70.31 C ATOM 582 CZ PHE A 566 11.960 -39.190 -2.683 1.00 34.35 C ATOM 0 H PHE A 566 8.456 -36.807 -0.977 1.00 10.25 H new ATOM 0 HA PHE A 566 6.828 -35.746 -3.197 1.00 2.43 H new ATOM 0 HB2 PHE A 566 8.464 -36.619 -4.772 1.00 3.45 H new ATOM 0 HB3 PHE A 566 9.212 -35.392 -3.769 1.00 3.45 H new ATOM 0 HD1 PHE A 566 9.091 -39.006 -4.537 1.00 4.11 H new ATOM 0 HD2 PHE A 566 10.931 -35.982 -2.105 1.00 42.04 H new ATOM 0 HE1 PHE A 566 10.911 -40.601 -3.933 1.00 21.24 H new ATOM 0 HE2 PHE A 566 12.755 -37.569 -1.499 1.00 70.31 H new ATOM 0 HZ PHE A 566 12.753 -39.878 -2.428 1.00 34.35 H new ATOM 592 N ARG A 567 6.263 -38.238 -3.760 1.00 72.35 N ATOM 593 CA ARG A 567 5.760 -39.617 -3.877 1.00 10.30 C ATOM 594 C ARG A 567 5.343 -39.871 -5.328 1.00 23.12 C ATOM 595 O ARG A 567 4.982 -38.920 -6.033 1.00 2.41 O ATOM 596 CB ARG A 567 4.582 -39.853 -2.916 1.00 44.13 C ATOM 597 CG ARG A 567 3.341 -39.068 -3.264 1.00 43.13 C ATOM 598 CD ARG A 567 2.370 -39.952 -4.026 1.00 64.31 C ATOM 599 NE ARG A 567 1.444 -40.696 -3.148 1.00 13.21 N ATOM 600 CZ ARG A 567 0.681 -41.723 -3.524 1.00 3.20 C ATOM 601 NH1 ARG A 567 0.684 -42.207 -4.737 1.00 14.34 N ATOM 602 NH2 ARG A 567 -0.109 -42.280 -2.650 1.00 24.53 N ATOM 0 H ARG A 567 5.963 -37.623 -4.516 1.00 72.35 H new ATOM 0 HA ARG A 567 6.549 -40.316 -3.601 1.00 10.30 H new ATOM 0 HB2 ARG A 567 4.338 -40.915 -2.910 1.00 44.13 H new ATOM 0 HB3 ARG A 567 4.893 -39.592 -1.905 1.00 44.13 H new ATOM 0 HG2 ARG A 567 2.870 -38.694 -2.355 1.00 43.13 H new ATOM 0 HG3 ARG A 567 3.606 -38.199 -3.867 1.00 43.13 H new ATOM 0 HD2 ARG A 567 1.791 -39.335 -4.714 1.00 64.31 H new ATOM 0 HD3 ARG A 567 2.934 -40.661 -4.632 1.00 64.31 H new ATOM 0 HE ARG A 567 1.383 -40.400 -2.174 1.00 13.21 H new ATOM 0 HH11 ARG A 567 1.290 -41.797 -5.448 1.00 14.34 H new ATOM 0 HH12 ARG A 567 0.081 -42.995 -4.973 1.00 14.34 H new ATOM 0 HH21 ARG A 567 -0.138 -41.930 -1.693 1.00 24.53 H new ATOM 0 HH22 ARG A 567 -0.698 -43.066 -2.923 1.00 24.53 H new ATOM 616 N THR A 568 5.392 -41.116 -5.772 1.00 12.21 N ATOM 617 CA THR A 568 5.067 -41.462 -7.159 1.00 5.42 C ATOM 618 C THR A 568 3.560 -41.639 -7.296 1.00 41.10 C ATOM 619 O THR A 568 2.901 -42.109 -6.389 1.00 74.50 O ATOM 620 CB THR A 568 5.830 -42.733 -7.564 1.00 3.25 C ATOM 621 OG1 THR A 568 7.197 -42.555 -7.210 1.00 13.22 O ATOM 622 CG2 THR A 568 5.810 -42.974 -9.035 1.00 21.10 C ATOM 0 H THR A 568 5.655 -41.914 -5.193 1.00 12.21 H new ATOM 0 HA THR A 568 5.374 -40.660 -7.831 1.00 5.42 H new ATOM 0 HB THR A 568 5.351 -43.573 -7.060 1.00 3.25 H new ATOM 0 HG1 THR A 568 7.736 -42.460 -8.023 1.00 13.22 H new ATOM 0 HG21 THR A 568 6.364 -43.885 -9.262 1.00 21.10 H new ATOM 0 HG22 THR A 568 4.779 -43.083 -9.372 1.00 21.10 H new ATOM 0 HG23 THR A 568 6.272 -42.131 -9.548 1.00 21.10 H new ATOM 630 N VAL A 569 3.013 -41.164 -8.397 1.00 12.31 N ATOM 631 CA VAL A 569 1.584 -41.101 -8.637 1.00 41.13 C ATOM 632 C VAL A 569 1.387 -41.616 -10.016 1.00 34.15 C ATOM 633 O VAL A 569 1.833 -41.036 -10.982 1.00 55.32 O ATOM 634 CB VAL A 569 1.053 -39.636 -8.618 1.00 2.42 C ATOM 635 CG1 VAL A 569 -0.466 -39.604 -8.882 1.00 64.23 C ATOM 636 CG2 VAL A 569 1.340 -38.958 -7.289 1.00 64.42 C ATOM 0 H VAL A 569 3.566 -40.800 -9.173 1.00 12.31 H new ATOM 0 HA VAL A 569 1.059 -41.665 -7.866 1.00 41.13 H new ATOM 0 HB VAL A 569 1.574 -39.095 -9.408 1.00 2.42 H new ATOM 0 HG11 VAL A 569 -0.817 -38.572 -8.864 1.00 64.23 H new ATOM 0 HG12 VAL A 569 -0.675 -40.042 -9.858 1.00 64.23 H new ATOM 0 HG13 VAL A 569 -0.982 -40.176 -8.110 1.00 64.23 H new ATOM 0 HG21 VAL A 569 0.956 -37.938 -7.311 1.00 64.42 H new ATOM 0 HG22 VAL A 569 0.854 -39.512 -6.486 1.00 64.42 H new ATOM 0 HG23 VAL A 569 2.416 -38.937 -7.116 1.00 64.42 H new ATOM 646 N GLU A 570 0.750 -42.745 -10.096 1.00 22.44 N ATOM 647 CA GLU A 570 0.522 -43.385 -11.354 1.00 22.03 C ATOM 648 C GLU A 570 -0.641 -42.731 -12.102 1.00 3.33 C ATOM 649 O GLU A 570 -1.542 -42.153 -11.497 1.00 1.13 O ATOM 650 CB GLU A 570 0.351 -44.884 -11.138 1.00 21.10 C ATOM 651 CG GLU A 570 0.031 -45.393 -9.704 1.00 54.12 C ATOM 652 CD GLU A 570 -1.163 -44.716 -9.015 1.00 62.50 C ATOM 653 OE1 GLU A 570 -2.324 -45.028 -9.326 1.00 40.04 O ATOM 654 OE2 GLU A 570 -0.899 -43.896 -8.089 1.00 31.25 O ATOM 0 H GLU A 570 0.374 -43.247 -9.292 1.00 22.44 H new ATOM 0 HA GLU A 570 1.389 -43.253 -12.002 1.00 22.03 H new ATOM 0 HB2 GLU A 570 -0.447 -45.225 -11.797 1.00 21.10 H new ATOM 0 HB3 GLU A 570 1.268 -45.373 -11.467 1.00 21.10 H new ATOM 0 HG2 GLU A 570 -0.159 -46.465 -9.752 1.00 54.12 H new ATOM 0 HG3 GLU A 570 0.915 -45.253 -9.082 1.00 54.12 H new ATOM 661 N GLY A 571 -0.554 -42.757 -13.424 1.00 74.34 N ATOM 662 CA GLY A 571 -1.581 -42.165 -14.273 1.00 54.42 C ATOM 663 C GLY A 571 -2.367 -43.289 -14.896 1.00 22.25 C ATOM 664 O GLY A 571 -3.420 -43.673 -14.396 1.00 13.30 O ATOM 0 H GLY A 571 0.219 -43.183 -13.935 1.00 74.34 H new ATOM 0 HA2 GLY A 571 -2.236 -41.520 -13.687 1.00 54.42 H new ATOM 0 HA3 GLY A 571 -1.127 -41.543 -15.044 1.00 54.42 H new ATOM 668 N THR A 572 -1.789 -43.907 -15.912 1.00 32.20 N ATOM 669 CA THR A 572 -2.237 -45.226 -16.328 1.00 24.30 C ATOM 670 C THR A 572 -1.022 -46.109 -16.095 1.00 71.21 C ATOM 671 O THR A 572 -0.027 -46.015 -16.816 1.00 43.52 O ATOM 672 CB THR A 572 -2.714 -45.270 -17.821 1.00 73.10 C ATOM 673 OG1 THR A 572 -2.521 -46.582 -18.358 1.00 34.54 O ATOM 674 CG2 THR A 572 -1.961 -44.278 -18.711 1.00 70.10 C ATOM 0 H THR A 572 -1.018 -43.523 -16.458 1.00 32.20 H new ATOM 0 HA THR A 572 -3.114 -45.552 -15.768 1.00 24.30 H new ATOM 0 HB THR A 572 -3.769 -44.997 -17.816 1.00 73.10 H new ATOM 0 HG1 THR A 572 -2.823 -46.602 -19.290 1.00 34.54 H new ATOM 0 HG21 THR A 572 -2.332 -44.352 -19.733 1.00 70.10 H new ATOM 0 HG22 THR A 572 -2.118 -43.265 -18.340 1.00 70.10 H new ATOM 0 HG23 THR A 572 -0.896 -44.510 -18.694 1.00 70.10 H new ATOM 682 N ALA A 573 -1.127 -46.979 -15.104 1.00 45.44 N ATOM 683 CA ALA A 573 -0.078 -47.924 -14.763 1.00 11.55 C ATOM 684 C ALA A 573 -0.700 -48.881 -13.765 1.00 61.21 C ATOM 685 O ALA A 573 -1.685 -48.528 -13.112 1.00 74.33 O ATOM 686 CB ALA A 573 1.146 -47.216 -14.121 1.00 42.33 C ATOM 0 H ALA A 573 -1.952 -47.049 -14.508 1.00 45.44 H new ATOM 0 HA ALA A 573 0.289 -48.431 -15.655 1.00 11.55 H new ATOM 0 HB1 ALA A 573 1.909 -47.956 -13.880 1.00 42.33 H new ATOM 0 HB2 ALA A 573 1.555 -46.488 -14.822 1.00 42.33 H new ATOM 0 HB3 ALA A 573 0.834 -46.706 -13.209 1.00 42.33 H new ATOM 692 N LYS A 574 -0.096 -50.045 -13.580 1.00 40.04 N ATOM 693 CA LYS A 574 -0.515 -50.966 -12.543 1.00 71.33 C ATOM 694 C LYS A 574 0.241 -50.556 -11.266 1.00 50.53 C ATOM 695 O LYS A 574 -0.250 -50.743 -10.151 1.00 50.43 O ATOM 696 CB LYS A 574 -0.258 -52.381 -13.060 1.00 53.31 C ATOM 697 CG LYS A 574 0.416 -53.312 -12.147 1.00 74.43 C ATOM 698 CD LYS A 574 -0.526 -53.976 -11.167 1.00 4.33 C ATOM 699 CE LYS A 574 0.239 -54.923 -10.259 1.00 63.30 C ATOM 700 NZ LYS A 574 0.831 -56.097 -11.002 1.00 75.20 N ATOM 0 H LYS A 574 0.691 -50.373 -14.140 1.00 40.04 H new ATOM 0 HA LYS A 574 -1.575 -50.939 -12.292 1.00 71.33 H new ATOM 0 HB2 LYS A 574 -1.216 -52.818 -13.343 1.00 53.31 H new ATOM 0 HB3 LYS A 574 0.339 -52.306 -13.969 1.00 53.31 H new ATOM 0 HG2 LYS A 574 0.922 -54.080 -12.731 1.00 74.43 H new ATOM 0 HG3 LYS A 574 1.185 -52.774 -11.593 1.00 74.43 H new ATOM 0 HD2 LYS A 574 -1.033 -53.218 -10.569 1.00 4.33 H new ATOM 0 HD3 LYS A 574 -1.297 -54.524 -11.708 1.00 4.33 H new ATOM 0 HE2 LYS A 574 1.038 -54.374 -9.760 1.00 63.30 H new ATOM 0 HE3 LYS A 574 -0.429 -55.291 -9.480 1.00 63.30 H new ATOM 0 HZ1 LYS A 574 0.803 -56.942 -10.396 1.00 75.20 H new ATOM 0 HZ2 LYS A 574 0.281 -56.273 -11.867 1.00 75.20 H new ATOM 0 HZ3 LYS A 574 1.817 -55.886 -11.255 1.00 75.20 H new ATOM 714 N GLY A 575 1.374 -49.885 -11.459 1.00 40.23 N ATOM 715 CA GLY A 575 2.125 -49.277 -10.366 1.00 5.11 C ATOM 716 C GLY A 575 2.508 -50.178 -9.203 1.00 3.21 C ATOM 717 O GLY A 575 2.546 -51.408 -9.310 1.00 3.23 O ATOM 0 H GLY A 575 1.796 -49.748 -12.377 1.00 40.23 H new ATOM 0 HA2 GLY A 575 3.039 -48.852 -10.780 1.00 5.11 H new ATOM 0 HA3 GLY A 575 1.537 -48.448 -9.972 1.00 5.11 H new ATOM 721 N GLY A 576 2.783 -49.545 -8.068 1.00 24.22 N ATOM 722 CA GLY A 576 3.082 -50.269 -6.843 1.00 42.40 C ATOM 723 C GLY A 576 4.490 -50.809 -6.836 1.00 61.03 C ATOM 724 O GLY A 576 5.406 -50.132 -6.388 1.00 75.21 O ATOM 0 H GLY A 576 2.804 -48.530 -7.973 1.00 24.22 H new ATOM 0 HA2 GLY A 576 2.943 -49.608 -5.988 1.00 42.40 H new ATOM 0 HA3 GLY A 576 2.377 -51.092 -6.727 1.00 42.40 H new ATOM 728 N GLY A 577 4.627 -52.049 -7.280 1.00 4.21 N ATOM 729 CA GLY A 577 5.917 -52.684 -7.470 1.00 23.15 C ATOM 730 C GLY A 577 6.114 -53.183 -8.893 1.00 42.32 C ATOM 731 O GLY A 577 7.052 -53.906 -9.118 1.00 11.33 O ATOM 0 H GLY A 577 3.836 -52.647 -7.520 1.00 4.21 H new ATOM 0 HA2 GLY A 577 6.708 -51.975 -7.224 1.00 23.15 H new ATOM 0 HA3 GLY A 577 6.012 -53.521 -6.778 1.00 23.15 H new ATOM 735 N GLU A 578 5.180 -52.911 -9.805 1.00 22.33 N ATOM 736 CA GLU A 578 5.236 -53.486 -11.173 1.00 30.34 C ATOM 737 C GLU A 578 5.875 -52.562 -12.205 1.00 70.35 C ATOM 738 O GLU A 578 6.739 -52.973 -12.953 1.00 10.33 O ATOM 739 CB GLU A 578 3.822 -53.771 -11.664 1.00 3.01 C ATOM 740 CG GLU A 578 3.728 -54.413 -13.078 1.00 73.03 C ATOM 741 CD GLU A 578 3.807 -55.936 -13.066 1.00 55.21 C ATOM 742 OE1 GLU A 578 3.385 -56.537 -12.052 1.00 11.20 O ATOM 743 OE2 GLU A 578 4.155 -56.537 -14.110 1.00 32.12 O ATOM 0 H GLU A 578 4.378 -52.304 -9.636 1.00 22.33 H new ATOM 0 HA GLU A 578 5.846 -54.385 -11.087 1.00 30.34 H new ATOM 0 HB2 GLU A 578 3.333 -54.433 -10.949 1.00 3.01 H new ATOM 0 HB3 GLU A 578 3.261 -52.836 -11.669 1.00 3.01 H new ATOM 0 HG2 GLU A 578 2.790 -54.110 -13.543 1.00 73.03 H new ATOM 0 HG3 GLU A 578 4.533 -54.021 -13.700 1.00 73.03 H new ATOM 750 N ASP A 579 5.367 -51.348 -12.305 1.00 4.41 N ATOM 751 CA ASP A 579 5.839 -50.401 -13.313 1.00 41.25 C ATOM 752 C ASP A 579 7.050 -49.668 -12.770 1.00 50.00 C ATOM 753 O ASP A 579 8.010 -49.321 -13.460 1.00 55.05 O ATOM 754 CB ASP A 579 4.706 -49.409 -13.589 1.00 35.31 C ATOM 755 CG ASP A 579 5.017 -48.465 -14.716 1.00 34.21 C ATOM 756 OD1 ASP A 579 5.623 -48.907 -15.701 1.00 72.52 O ATOM 757 OD2 ASP A 579 4.640 -47.267 -14.620 1.00 62.32 O ATOM 0 H ASP A 579 4.627 -50.989 -11.703 1.00 4.41 H new ATOM 0 HA ASP A 579 6.119 -50.914 -14.233 1.00 41.25 H new ATOM 0 HB2 ASP A 579 3.796 -49.961 -13.825 1.00 35.31 H new ATOM 0 HB3 ASP A 579 4.505 -48.834 -12.685 1.00 35.31 H new ATOM 762 N PHE A 580 6.991 -49.455 -11.477 1.00 34.22 N ATOM 763 CA PHE A 580 8.026 -48.786 -10.744 1.00 14.50 C ATOM 764 C PHE A 580 7.756 -49.211 -9.330 1.00 54.21 C ATOM 765 O PHE A 580 6.639 -49.631 -9.018 1.00 22.23 O ATOM 766 CB PHE A 580 7.873 -47.258 -10.863 1.00 44.20 C ATOM 767 CG PHE A 580 6.482 -46.771 -10.535 1.00 42.11 C ATOM 768 CD1 PHE A 580 6.083 -46.567 -9.201 1.00 61.45 C ATOM 769 CD2 PHE A 580 5.551 -46.547 -11.559 1.00 13.22 C ATOM 770 CE1 PHE A 580 4.767 -46.165 -8.888 1.00 0.53 C ATOM 771 CE2 PHE A 580 4.230 -46.143 -11.261 1.00 10.32 C ATOM 772 CZ PHE A 580 3.841 -45.950 -9.922 1.00 22.12 C ATOM 0 H PHE A 580 6.204 -49.750 -10.898 1.00 34.22 H new ATOM 0 HA PHE A 580 9.028 -49.029 -11.098 1.00 14.50 H new ATOM 0 HB2 PHE A 580 8.587 -46.775 -10.195 1.00 44.20 H new ATOM 0 HB3 PHE A 580 8.128 -46.952 -11.878 1.00 44.20 H new ATOM 0 HD1 PHE A 580 6.795 -46.721 -8.404 1.00 61.45 H new ATOM 0 HD2 PHE A 580 5.847 -46.685 -12.588 1.00 13.22 H new ATOM 0 HE1 PHE A 580 4.473 -46.023 -7.858 1.00 0.53 H new ATOM 0 HE2 PHE A 580 3.520 -45.983 -12.059 1.00 10.32 H new ATOM 0 HZ PHE A 580 2.833 -45.638 -9.690 1.00 22.12 H new ATOM 782 N GLU A 581 8.730 -49.022 -8.467 1.00 20.42 N ATOM 783 CA GLU A 581 8.478 -49.116 -7.033 1.00 10.04 C ATOM 784 C GLU A 581 8.153 -47.705 -6.586 1.00 64.32 C ATOM 785 O GLU A 581 8.828 -46.763 -7.016 1.00 33.03 O ATOM 786 CB GLU A 581 9.689 -49.647 -6.269 1.00 51.35 C ATOM 787 CG GLU A 581 9.987 -51.105 -6.549 1.00 42.22 C ATOM 788 CD GLU A 581 11.169 -51.608 -5.725 1.00 41.43 C ATOM 789 OE1 GLU A 581 11.034 -51.737 -4.486 1.00 54.04 O ATOM 790 OE2 GLU A 581 12.258 -51.818 -6.312 1.00 22.01 O ATOM 0 H GLU A 581 9.694 -48.805 -8.721 1.00 20.42 H new ATOM 0 HA GLU A 581 7.667 -49.815 -6.830 1.00 10.04 H new ATOM 0 HB2 GLU A 581 10.563 -49.049 -6.528 1.00 51.35 H new ATOM 0 HB3 GLU A 581 9.520 -49.518 -5.200 1.00 51.35 H new ATOM 0 HG2 GLU A 581 9.106 -51.706 -6.325 1.00 42.22 H new ATOM 0 HG3 GLU A 581 10.201 -51.235 -7.610 1.00 42.22 H new ATOM 797 N ASP A 582 7.099 -47.542 -5.789 1.00 72.24 N ATOM 798 CA ASP A 582 6.670 -46.204 -5.360 1.00 23.44 C ATOM 799 C ASP A 582 7.780 -45.510 -4.642 1.00 41.21 C ATOM 800 O ASP A 582 8.245 -45.887 -3.566 1.00 65.25 O ATOM 801 CB ASP A 582 5.435 -46.236 -4.482 1.00 41.14 C ATOM 802 CG ASP A 582 4.887 -44.826 -4.147 1.00 3.52 C ATOM 803 OD1 ASP A 582 5.467 -43.796 -4.576 1.00 71.34 O ATOM 804 OD2 ASP A 582 3.871 -44.756 -3.418 1.00 12.11 O ATOM 0 H ASP A 582 6.529 -48.307 -5.428 1.00 72.24 H new ATOM 0 HA ASP A 582 6.410 -45.654 -6.265 1.00 23.44 H new ATOM 0 HB2 ASP A 582 4.656 -46.812 -4.982 1.00 41.14 H new ATOM 0 HB3 ASP A 582 5.670 -46.757 -3.554 1.00 41.14 H new ATOM 809 N ALA A 583 8.234 -44.495 -5.330 1.00 34.23 N ATOM 810 CA ALA A 583 9.352 -43.723 -4.923 1.00 61.13 C ATOM 811 C ALA A 583 8.877 -42.499 -4.166 1.00 4.02 C ATOM 812 O ALA A 583 8.361 -41.534 -4.738 1.00 74.05 O ATOM 813 CB ALA A 583 10.103 -43.374 -6.103 1.00 12.13 C ATOM 0 H ALA A 583 7.818 -44.184 -6.208 1.00 34.23 H new ATOM 0 HA ALA A 583 9.998 -44.285 -4.249 1.00 61.13 H new ATOM 0 HB1 ALA A 583 10.971 -42.779 -5.819 1.00 12.13 H new ATOM 0 HB2 ALA A 583 10.435 -44.283 -6.605 1.00 12.13 H new ATOM 0 HB3 ALA A 583 9.472 -42.796 -6.778 1.00 12.13 H new ATOM 819 N TYR A 584 9.052 -42.570 -2.864 1.00 70.11 N ATOM 820 CA TYR A 584 8.628 -41.516 -1.954 1.00 11.51 C ATOM 821 C TYR A 584 9.653 -41.286 -0.862 1.00 32.50 C ATOM 822 O TYR A 584 10.365 -42.199 -0.451 1.00 33.42 O ATOM 823 CB TYR A 584 7.267 -41.847 -1.328 1.00 12.32 C ATOM 824 CG TYR A 584 7.195 -43.193 -0.643 1.00 13.12 C ATOM 825 CD1 TYR A 584 7.582 -43.360 0.704 1.00 71.52 C ATOM 826 CD2 TYR A 584 6.715 -44.311 -1.340 1.00 73.12 C ATOM 827 CE1 TYR A 584 7.497 -44.639 1.329 1.00 11.51 C ATOM 828 CE2 TYR A 584 6.622 -45.580 -0.731 1.00 51.14 C ATOM 829 CZ TYR A 584 7.013 -45.737 0.599 1.00 22.14 C ATOM 830 OH TYR A 584 6.925 -46.967 1.202 1.00 44.31 O ATOM 0 H TYR A 584 9.494 -43.363 -2.400 1.00 70.11 H new ATOM 0 HA TYR A 584 8.534 -40.601 -2.539 1.00 11.51 H new ATOM 0 HB2 TYR A 584 7.018 -41.072 -0.603 1.00 12.32 H new ATOM 0 HB3 TYR A 584 6.506 -41.810 -2.107 1.00 12.32 H new ATOM 0 HD1 TYR A 584 7.945 -42.512 1.266 1.00 71.52 H new ATOM 0 HD2 TYR A 584 6.409 -44.198 -2.369 1.00 73.12 H new ATOM 0 HE1 TYR A 584 7.803 -44.763 2.357 1.00 11.51 H new ATOM 0 HE2 TYR A 584 6.250 -46.425 -1.291 1.00 51.14 H new ATOM 0 HH TYR A 584 6.570 -47.620 0.563 1.00 44.31 H new ATOM 840 N GLY A 585 9.725 -40.056 -0.385 1.00 51.11 N ATOM 841 CA GLY A 585 10.633 -39.733 0.698 1.00 74.21 C ATOM 842 C GLY A 585 10.620 -38.245 0.925 1.00 42.41 C ATOM 843 O GLY A 585 9.758 -37.560 0.384 1.00 12.23 O ATOM 0 H GLY A 585 9.170 -39.271 -0.728 1.00 51.11 H new ATOM 0 HA2 GLY A 585 10.334 -40.255 1.607 1.00 74.21 H new ATOM 0 HA3 GLY A 585 11.642 -40.067 0.455 1.00 74.21 H new ATOM 847 N GLU A 586 11.581 -37.737 1.684 1.00 72.23 N ATOM 848 CA GLU A 586 11.724 -36.301 1.889 1.00 4.31 C ATOM 849 C GLU A 586 13.106 -35.867 1.464 1.00 14.04 C ATOM 850 O GLU A 586 14.074 -36.617 1.576 1.00 74.33 O ATOM 851 CB GLU A 586 11.498 -35.903 3.347 1.00 1.54 C ATOM 852 CG GLU A 586 10.033 -35.810 3.704 1.00 43.35 C ATOM 853 CD GLU A 586 9.754 -34.944 4.918 1.00 75.12 C ATOM 854 OE1 GLU A 586 10.455 -35.050 5.940 1.00 72.23 O ATOM 855 OE2 GLU A 586 8.791 -34.145 4.842 1.00 51.54 O ATOM 0 H GLU A 586 12.277 -38.301 2.171 1.00 72.23 H new ATOM 0 HA GLU A 586 10.964 -35.805 1.285 1.00 4.31 H new ATOM 0 HB2 GLU A 586 11.981 -36.632 3.998 1.00 1.54 H new ATOM 0 HB3 GLU A 586 11.976 -34.942 3.535 1.00 1.54 H new ATOM 0 HG2 GLU A 586 9.485 -35.411 2.851 1.00 43.35 H new ATOM 0 HG3 GLU A 586 9.649 -36.813 3.889 1.00 43.35 H new ATOM 862 N LEU A 587 13.181 -34.650 0.958 1.00 53.10 N ATOM 863 CA LEU A 587 14.417 -34.089 0.450 1.00 20.44 C ATOM 864 C LEU A 587 14.806 -32.895 1.286 1.00 22.51 C ATOM 865 O LEU A 587 14.045 -31.941 1.392 1.00 13.13 O ATOM 866 CB LEU A 587 14.203 -33.617 -0.983 1.00 32.13 C ATOM 867 CG LEU A 587 13.736 -34.686 -1.969 1.00 70.21 C ATOM 868 CD1 LEU A 587 13.026 -34.022 -3.109 1.00 4.23 C ATOM 869 CD2 LEU A 587 14.879 -35.528 -2.497 1.00 54.54 C ATOM 0 H LEU A 587 12.382 -34.020 0.888 1.00 53.10 H new ATOM 0 HA LEU A 587 15.198 -34.848 0.488 1.00 20.44 H new ATOM 0 HB2 LEU A 587 13.469 -32.811 -0.975 1.00 32.13 H new ATOM 0 HB3 LEU A 587 15.138 -33.194 -1.350 1.00 32.13 H new ATOM 0 HG LEU A 587 13.064 -35.359 -1.437 1.00 70.21 H new ATOM 0 HD11 LEU A 587 12.689 -34.778 -3.818 1.00 4.23 H new ATOM 0 HD12 LEU A 587 12.165 -33.471 -2.730 1.00 4.23 H new ATOM 0 HD13 LEU A 587 13.706 -33.333 -3.610 1.00 4.23 H new ATOM 0 HD21 LEU A 587 14.492 -36.272 -3.193 1.00 54.54 H new ATOM 0 HD22 LEU A 587 15.595 -34.888 -3.012 1.00 54.54 H new ATOM 0 HD23 LEU A 587 15.374 -36.032 -1.667 1.00 54.54 H new ATOM 881 N GLU A 588 15.989 -32.935 1.866 1.00 55.33 N ATOM 882 CA GLU A 588 16.489 -31.797 2.616 1.00 62.33 C ATOM 883 C GLU A 588 17.108 -30.813 1.631 1.00 30.00 C ATOM 884 O GLU A 588 17.961 -31.174 0.823 1.00 64.15 O ATOM 885 CB GLU A 588 17.531 -32.234 3.645 1.00 63.14 C ATOM 886 CG GLU A 588 17.893 -31.125 4.626 1.00 22.22 C ATOM 887 CD GLU A 588 18.999 -31.528 5.586 1.00 13.15 C ATOM 888 OE1 GLU A 588 19.800 -32.425 5.243 1.00 3.03 O ATOM 889 OE2 GLU A 588 19.150 -30.856 6.625 1.00 41.32 O ATOM 0 H GLU A 588 16.619 -33.736 1.834 1.00 55.33 H new ATOM 0 HA GLU A 588 15.667 -31.328 3.157 1.00 62.33 H new ATOM 0 HB2 GLU A 588 17.151 -33.093 4.198 1.00 63.14 H new ATOM 0 HB3 GLU A 588 18.432 -32.563 3.126 1.00 63.14 H new ATOM 0 HG2 GLU A 588 18.205 -30.241 4.070 1.00 22.22 H new ATOM 0 HG3 GLU A 588 17.007 -30.846 5.196 1.00 22.22 H new ATOM 896 N PHE A 589 16.669 -29.573 1.716 1.00 23.12 N ATOM 897 CA PHE A 589 17.192 -28.482 0.907 1.00 61.11 C ATOM 898 C PHE A 589 17.777 -27.463 1.870 1.00 11.13 C ATOM 899 O PHE A 589 17.176 -27.149 2.890 1.00 32.42 O ATOM 900 CB PHE A 589 16.069 -27.806 0.118 1.00 41.01 C ATOM 901 CG PHE A 589 15.600 -28.583 -1.082 1.00 25.10 C ATOM 902 CD1 PHE A 589 14.597 -29.566 -0.971 1.00 3.02 C ATOM 903 CD2 PHE A 589 16.134 -28.301 -2.350 1.00 42.41 C ATOM 904 CE1 PHE A 589 14.120 -30.239 -2.118 1.00 12.42 C ATOM 905 CE2 PHE A 589 15.659 -28.960 -3.501 1.00 21.11 C ATOM 906 CZ PHE A 589 14.646 -29.930 -3.380 1.00 62.40 C ATOM 0 H PHE A 589 15.929 -29.287 2.357 1.00 23.12 H new ATOM 0 HA PHE A 589 17.932 -28.861 0.203 1.00 61.11 H new ATOM 0 HB2 PHE A 589 15.222 -27.642 0.783 1.00 41.01 H new ATOM 0 HB3 PHE A 589 16.412 -26.825 -0.210 1.00 41.01 H new ATOM 0 HD1 PHE A 589 14.189 -29.807 -0.001 1.00 3.02 H new ATOM 0 HD2 PHE A 589 16.921 -27.567 -2.444 1.00 42.41 H new ATOM 0 HE1 PHE A 589 13.351 -30.991 -2.023 1.00 12.42 H new ATOM 0 HE2 PHE A 589 16.070 -28.722 -4.471 1.00 21.11 H new ATOM 0 HZ PHE A 589 14.274 -30.436 -4.259 1.00 62.40 H new ATOM 916 N LYS A 590 18.932 -26.919 1.535 1.00 32.34 N ATOM 917 CA LYS A 590 19.583 -25.906 2.366 1.00 22.51 C ATOM 918 C LYS A 590 19.919 -24.746 1.462 1.00 31.31 C ATOM 919 O LYS A 590 19.790 -24.864 0.254 1.00 60.22 O ATOM 920 CB LYS A 590 20.866 -26.459 3.000 1.00 42.51 C ATOM 921 CG LYS A 590 20.661 -27.723 3.822 1.00 1.11 C ATOM 922 CD LYS A 590 21.947 -28.111 4.544 1.00 64.13 C ATOM 923 CE LYS A 590 21.817 -29.469 5.221 1.00 62.33 C ATOM 924 NZ LYS A 590 21.720 -30.588 4.220 1.00 25.01 N ATOM 0 H LYS A 590 19.447 -27.160 0.688 1.00 32.34 H new ATOM 0 HA LYS A 590 18.922 -25.601 3.177 1.00 22.51 H new ATOM 0 HB2 LYS A 590 21.588 -26.666 2.210 1.00 42.51 H new ATOM 0 HB3 LYS A 590 21.303 -25.691 3.638 1.00 42.51 H new ATOM 0 HG2 LYS A 590 19.864 -27.565 4.548 1.00 1.11 H new ATOM 0 HG3 LYS A 590 20.343 -28.538 3.172 1.00 1.11 H new ATOM 0 HD2 LYS A 590 22.772 -28.135 3.832 1.00 64.13 H new ATOM 0 HD3 LYS A 590 22.190 -27.353 5.289 1.00 64.13 H new ATOM 0 HE2 LYS A 590 22.677 -29.635 5.869 1.00 62.33 H new ATOM 0 HE3 LYS A 590 20.932 -29.474 5.858 1.00 62.33 H new ATOM 0 HZ1 LYS A 590 21.548 -31.485 4.718 1.00 25.01 H new ATOM 0 HZ2 LYS A 590 20.935 -30.400 3.564 1.00 25.01 H new ATOM 0 HZ3 LYS A 590 22.610 -30.654 3.686 1.00 25.01 H new ATOM 938 N ASN A 591 20.401 -23.663 2.052 1.00 62.53 N ATOM 939 CA ASN A 591 20.852 -22.472 1.327 1.00 64.04 C ATOM 940 C ASN A 591 21.524 -22.699 -0.041 1.00 4.14 C ATOM 941 O ASN A 591 21.080 -22.144 -1.035 1.00 32.12 O ATOM 942 CB ASN A 591 21.865 -21.760 2.208 1.00 12.53 C ATOM 943 CG ASN A 591 22.284 -20.419 1.650 1.00 12.10 C ATOM 944 OD1 ASN A 591 23.454 -20.110 1.596 1.00 20.44 O ATOM 945 ND2 ASN A 591 21.331 -19.614 1.261 1.00 43.41 N ATOM 0 H ASN A 591 20.494 -23.580 3.064 1.00 62.53 H new ATOM 0 HA ASN A 591 19.943 -21.910 1.113 1.00 64.04 H new ATOM 0 HB2 ASN A 591 21.440 -21.619 3.202 1.00 12.53 H new ATOM 0 HB3 ASN A 591 22.746 -22.391 2.325 1.00 12.53 H new ATOM 0 HD21 ASN A 591 21.561 -18.690 0.896 1.00 43.41 H new ATOM 0 HD22 ASN A 591 20.357 -19.910 1.322 1.00 43.41 H new ATOM 952 N ASP A 592 22.633 -23.433 -0.060 1.00 74.15 N ATOM 953 CA ASP A 592 23.348 -23.762 -1.307 1.00 54.31 C ATOM 954 C ASP A 592 22.731 -24.959 -2.049 1.00 14.22 C ATOM 955 O ASP A 592 22.636 -24.990 -3.268 1.00 44.24 O ATOM 956 CB ASP A 592 24.807 -24.076 -0.986 1.00 53.32 C ATOM 957 CG ASP A 592 25.666 -24.146 -2.230 1.00 63.43 C ATOM 958 OD1 ASP A 592 25.622 -23.198 -3.041 1.00 54.42 O ATOM 959 OD2 ASP A 592 26.408 -25.138 -2.383 1.00 32.34 O ATOM 0 H ASP A 592 23.066 -23.819 0.779 1.00 74.15 H new ATOM 0 HA ASP A 592 23.269 -22.894 -1.961 1.00 54.31 H new ATOM 0 HB2 ASP A 592 25.202 -23.312 -0.317 1.00 53.32 H new ATOM 0 HB3 ASP A 592 24.864 -25.026 -0.454 1.00 53.32 H new ATOM 964 N GLU A 593 22.312 -25.936 -1.252 1.00 32.31 N ATOM 965 CA GLU A 593 21.768 -27.260 -1.698 1.00 44.21 C ATOM 966 C GLU A 593 20.479 -27.263 -2.509 1.00 73.41 C ATOM 967 O GLU A 593 19.735 -28.242 -2.524 1.00 40.41 O ATOM 968 CB GLU A 593 21.611 -28.223 -0.525 1.00 15.43 C ATOM 969 CG GLU A 593 22.884 -28.541 0.225 1.00 4.21 C ATOM 970 CD GLU A 593 22.657 -29.639 1.256 1.00 15.30 C ATOM 971 OE1 GLU A 593 21.556 -30.242 1.257 1.00 62.24 O ATOM 972 OE2 GLU A 593 23.543 -29.871 2.101 1.00 51.55 O ATOM 0 H GLU A 593 22.333 -25.847 -0.236 1.00 32.31 H new ATOM 0 HA GLU A 593 22.537 -27.588 -2.398 1.00 44.21 H new ATOM 0 HB2 GLU A 593 20.891 -27.801 0.176 1.00 15.43 H new ATOM 0 HB3 GLU A 593 21.185 -29.155 -0.896 1.00 15.43 H new ATOM 0 HG2 GLU A 593 23.655 -28.853 -0.479 1.00 4.21 H new ATOM 0 HG3 GLU A 593 23.251 -27.643 0.722 1.00 4.21 H new ATOM 979 N THR A 594 20.134 -26.120 -3.045 1.00 45.43 N ATOM 980 CA THR A 594 18.869 -25.876 -3.690 1.00 44.24 C ATOM 981 C THR A 594 18.705 -26.559 -5.042 1.00 43.21 C ATOM 982 O THR A 594 17.734 -26.309 -5.762 1.00 13.21 O ATOM 983 CB THR A 594 18.764 -24.404 -3.927 1.00 24.24 C ATOM 984 OG1 THR A 594 19.791 -23.972 -4.827 1.00 54.35 O ATOM 985 CG2 THR A 594 18.943 -23.663 -2.631 1.00 50.50 C ATOM 0 H THR A 594 20.748 -25.305 -3.044 1.00 45.43 H new ATOM 0 HA THR A 594 18.099 -26.280 -3.032 1.00 44.24 H new ATOM 0 HB THR A 594 17.782 -24.198 -4.352 1.00 24.24 H new ATOM 0 HG1 THR A 594 19.922 -23.005 -4.734 1.00 54.35 H new ATOM 0 HG21 THR A 594 18.865 -22.591 -2.811 1.00 50.50 H new ATOM 0 HG22 THR A 594 18.170 -23.970 -1.927 1.00 50.50 H new ATOM 0 HG23 THR A 594 19.924 -23.891 -2.214 1.00 50.50 H new ATOM 993 N VAL A 595 19.630 -27.456 -5.346 1.00 64.13 N ATOM 994 CA VAL A 595 19.544 -28.302 -6.528 1.00 75.43 C ATOM 995 C VAL A 595 19.452 -29.716 -5.982 1.00 41.41 C ATOM 996 O VAL A 595 20.290 -30.121 -5.170 1.00 11.41 O ATOM 997 CB VAL A 595 20.802 -28.168 -7.430 1.00 15.21 C ATOM 998 CG1 VAL A 595 20.501 -28.687 -8.842 1.00 33.41 C ATOM 999 CG2 VAL A 595 21.276 -26.701 -7.484 1.00 15.02 C ATOM 0 H VAL A 595 20.463 -27.619 -4.780 1.00 64.13 H new ATOM 0 HA VAL A 595 18.693 -28.024 -7.150 1.00 75.43 H new ATOM 0 HB VAL A 595 21.602 -28.771 -7.001 1.00 15.21 H new ATOM 0 HG11 VAL A 595 21.391 -28.587 -9.464 1.00 33.41 H new ATOM 0 HG12 VAL A 595 20.211 -29.736 -8.790 1.00 33.41 H new ATOM 0 HG13 VAL A 595 19.687 -28.107 -9.277 1.00 33.41 H new ATOM 0 HG21 VAL A 595 22.158 -26.627 -8.120 1.00 15.02 H new ATOM 0 HG22 VAL A 595 20.481 -26.077 -7.891 1.00 15.02 H new ATOM 0 HG23 VAL A 595 21.525 -26.362 -6.478 1.00 15.02 H new ATOM 1009 N LYS A 596 18.411 -30.446 -6.351 1.00 2.04 N ATOM 1010 CA LYS A 596 18.201 -31.783 -5.801 1.00 15.13 C ATOM 1011 C LYS A 596 17.522 -32.669 -6.809 1.00 23.20 C ATOM 1012 O LYS A 596 17.097 -32.198 -7.854 1.00 42.30 O ATOM 1013 CB LYS A 596 17.341 -31.675 -4.541 1.00 12.43 C ATOM 1014 CG LYS A 596 17.501 -32.809 -3.525 1.00 54.33 C ATOM 1015 CD LYS A 596 18.899 -32.897 -2.932 1.00 3.44 C ATOM 1016 CE LYS A 596 19.182 -31.661 -2.082 1.00 23.34 C ATOM 1017 NZ LYS A 596 20.278 -31.835 -1.058 1.00 54.13 N ATOM 0 H LYS A 596 17.704 -30.143 -7.021 1.00 2.04 H new ATOM 0 HA LYS A 596 19.167 -32.223 -5.554 1.00 15.13 H new ATOM 0 HB2 LYS A 596 17.574 -30.733 -4.045 1.00 12.43 H new ATOM 0 HB3 LYS A 596 16.294 -31.627 -4.841 1.00 12.43 H new ATOM 0 HG2 LYS A 596 16.781 -32.669 -2.719 1.00 54.33 H new ATOM 0 HG3 LYS A 596 17.259 -33.756 -4.008 1.00 54.33 H new ATOM 0 HD2 LYS A 596 18.989 -33.796 -2.323 1.00 3.44 H new ATOM 0 HD3 LYS A 596 19.637 -32.977 -3.730 1.00 3.44 H new ATOM 0 HE2 LYS A 596 19.449 -30.836 -2.743 1.00 23.34 H new ATOM 0 HE3 LYS A 596 18.265 -31.373 -1.567 1.00 23.34 H new ATOM 0 HZ1 LYS A 596 19.935 -31.526 -0.126 1.00 54.13 H new ATOM 0 HZ2 LYS A 596 20.553 -32.837 -1.011 1.00 54.13 H new ATOM 0 HZ3 LYS A 596 21.102 -31.262 -1.331 1.00 54.13 H new ATOM 1031 N THR A 597 17.415 -33.946 -6.493 1.00 74.35 N ATOM 1032 CA THR A 597 16.835 -34.905 -7.400 1.00 11.23 C ATOM 1033 C THR A 597 16.012 -35.956 -6.669 1.00 64.51 C ATOM 1034 O THR A 597 16.260 -36.241 -5.497 1.00 0.15 O ATOM 1035 CB THR A 597 17.975 -35.602 -8.125 1.00 44.51 C ATOM 1036 OG1 THR A 597 19.221 -35.190 -7.552 1.00 60.40 O ATOM 1037 CG2 THR A 597 18.007 -35.252 -9.620 1.00 71.41 C ATOM 0 H THR A 597 17.727 -34.341 -5.606 1.00 74.35 H new ATOM 0 HA THR A 597 16.171 -34.380 -8.087 1.00 11.23 H new ATOM 0 HB THR A 597 17.820 -36.676 -8.019 1.00 44.51 H new ATOM 0 HG1 THR A 597 19.959 -35.639 -8.016 1.00 60.40 H new ATOM 0 HG21 THR A 597 18.837 -35.772 -10.098 1.00 71.41 H new ATOM 0 HG22 THR A 597 17.070 -35.559 -10.086 1.00 71.41 H new ATOM 0 HG23 THR A 597 18.136 -34.176 -9.739 1.00 71.41 H new ATOM 1045 N ILE A 598 15.041 -36.526 -7.370 1.00 65.52 N ATOM 1046 CA ILE A 598 14.207 -37.615 -6.844 1.00 24.51 C ATOM 1047 C ILE A 598 14.477 -38.823 -7.701 1.00 11.44 C ATOM 1048 O ILE A 598 14.441 -38.723 -8.908 1.00 44.33 O ATOM 1049 CB ILE A 598 12.689 -37.306 -6.923 1.00 3.42 C ATOM 1050 CG1 ILE A 598 12.368 -36.170 -5.947 1.00 22.31 C ATOM 1051 CG2 ILE A 598 11.861 -38.570 -6.609 1.00 22.32 C ATOM 1052 CD1 ILE A 598 10.993 -35.516 -6.094 1.00 1.10 C ATOM 0 H ILE A 598 14.803 -36.250 -8.323 1.00 65.52 H new ATOM 0 HA ILE A 598 14.456 -37.763 -5.793 1.00 24.51 H new ATOM 0 HB ILE A 598 12.426 -36.993 -7.933 1.00 3.42 H new ATOM 0 HG12 ILE A 598 12.456 -36.557 -4.932 1.00 22.31 H new ATOM 0 HG13 ILE A 598 13.128 -35.397 -6.060 1.00 22.31 H new ATOM 0 HG21 ILE A 598 10.799 -38.333 -6.669 1.00 22.32 H new ATOM 0 HG22 ILE A 598 12.100 -39.351 -7.331 1.00 22.32 H new ATOM 0 HG23 ILE A 598 12.098 -38.920 -5.604 1.00 22.32 H new ATOM 0 HD11 ILE A 598 10.884 -34.728 -5.349 1.00 1.10 H new ATOM 0 HD12 ILE A 598 10.898 -35.088 -7.092 1.00 1.10 H new ATOM 0 HD13 ILE A 598 10.216 -36.266 -5.946 1.00 1.10 H new ATOM 1064 N ARG A 599 14.731 -39.948 -7.051 1.00 64.03 N ATOM 1065 CA ARG A 599 15.035 -41.218 -7.723 1.00 52.22 C ATOM 1066 C ARG A 599 13.922 -42.231 -7.526 1.00 71.04 C ATOM 1067 O ARG A 599 13.347 -42.302 -6.446 1.00 62.11 O ATOM 1068 CB ARG A 599 16.339 -41.809 -7.180 1.00 71.21 C ATOM 1069 CG ARG A 599 17.567 -41.102 -7.708 1.00 24.52 C ATOM 1070 CD ARG A 599 18.862 -41.773 -7.291 1.00 70.11 C ATOM 1071 NE ARG A 599 19.076 -41.735 -5.835 1.00 75.15 N ATOM 1072 CZ ARG A 599 20.110 -42.278 -5.206 1.00 64.44 C ATOM 1073 NH1 ARG A 599 21.067 -42.907 -5.850 1.00 20.11 N ATOM 1074 NH2 ARG A 599 20.187 -42.189 -3.909 1.00 14.33 N ATOM 0 H ARG A 599 14.734 -40.014 -6.033 1.00 64.03 H new ATOM 0 HA ARG A 599 15.135 -41.005 -8.787 1.00 52.22 H new ATOM 0 HB2 ARG A 599 16.333 -41.753 -6.091 1.00 71.21 H new ATOM 0 HB3 ARG A 599 16.392 -42.865 -7.444 1.00 71.21 H new ATOM 0 HG2 ARG A 599 17.518 -41.064 -8.796 1.00 24.52 H new ATOM 0 HG3 ARG A 599 17.567 -40.072 -7.353 1.00 24.52 H new ATOM 0 HD2 ARG A 599 18.854 -42.810 -7.626 1.00 70.11 H new ATOM 0 HD3 ARG A 599 19.698 -41.283 -7.790 1.00 70.11 H new ATOM 0 HE ARG A 599 18.377 -41.255 -5.268 1.00 75.15 H new ATOM 0 HH11 ARG A 599 21.029 -42.990 -6.866 1.00 20.11 H new ATOM 0 HH12 ARG A 599 21.848 -43.313 -5.334 1.00 20.11 H new ATOM 0 HH21 ARG A 599 19.456 -41.705 -3.387 1.00 14.33 H new ATOM 0 HH22 ARG A 599 20.978 -42.603 -3.415 1.00 14.33 H new ATOM 1088 N VAL A 600 13.649 -43.013 -8.564 1.00 51.25 N ATOM 1089 CA VAL A 600 12.609 -44.058 -8.546 1.00 63.22 C ATOM 1090 C VAL A 600 13.236 -45.278 -9.216 1.00 24.11 C ATOM 1091 O VAL A 600 14.013 -45.107 -10.144 1.00 60.30 O ATOM 1092 CB VAL A 600 11.297 -43.589 -9.339 1.00 15.03 C ATOM 1093 CG1 VAL A 600 11.127 -42.061 -9.288 1.00 43.42 C ATOM 1094 CG2 VAL A 600 11.093 -44.315 -10.579 1.00 30.51 C ATOM 0 H VAL A 600 14.143 -42.946 -9.454 1.00 51.25 H new ATOM 0 HA VAL A 600 12.288 -44.276 -7.527 1.00 63.22 H new ATOM 0 HB VAL A 600 10.394 -43.908 -8.819 1.00 15.03 H new ATOM 0 HG11 VAL A 600 10.228 -41.776 -9.835 1.00 43.42 H new ATOM 0 HG12 VAL A 600 11.037 -41.739 -8.250 1.00 43.42 H new ATOM 0 HG13 VAL A 600 11.995 -41.583 -9.742 1.00 43.42 H new ATOM 0 HG21 VAL A 600 10.190 -43.952 -11.069 1.00 30.51 H new ATOM 0 HG22 VAL A 600 11.949 -44.161 -11.236 1.00 30.51 H new ATOM 0 HG23 VAL A 600 10.987 -45.378 -10.365 1.00 30.51 H new ATOM 1104 N LYS A 601 12.919 -46.486 -8.767 1.00 50.04 N ATOM 1105 CA LYS A 601 13.408 -47.707 -9.433 1.00 4.05 C ATOM 1106 C LYS A 601 12.357 -48.124 -10.456 1.00 62.12 C ATOM 1107 O LYS A 601 11.187 -48.232 -10.109 1.00 11.42 O ATOM 1108 CB LYS A 601 13.641 -48.835 -8.406 1.00 5.21 C ATOM 1109 CG LYS A 601 14.500 -50.012 -8.931 1.00 64.11 C ATOM 1110 CD LYS A 601 13.673 -51.127 -9.593 1.00 41.44 C ATOM 1111 CE LYS A 601 14.589 -52.188 -10.239 1.00 14.02 C ATOM 1112 NZ LYS A 601 13.835 -53.106 -11.171 1.00 2.41 N ATOM 0 H LYS A 601 12.331 -46.656 -7.951 1.00 50.04 H new ATOM 0 HA LYS A 601 14.362 -47.514 -9.923 1.00 4.05 H new ATOM 0 HB2 LYS A 601 14.125 -48.413 -7.525 1.00 5.21 H new ATOM 0 HB3 LYS A 601 12.674 -49.222 -8.084 1.00 5.21 H new ATOM 0 HG2 LYS A 601 15.223 -49.630 -9.652 1.00 64.11 H new ATOM 0 HG3 LYS A 601 15.068 -50.435 -8.102 1.00 64.11 H new ATOM 0 HD2 LYS A 601 13.032 -51.600 -8.849 1.00 41.44 H new ATOM 0 HD3 LYS A 601 13.018 -50.697 -10.351 1.00 41.44 H new ATOM 0 HE2 LYS A 601 15.386 -51.689 -10.790 1.00 14.02 H new ATOM 0 HE3 LYS A 601 15.064 -52.779 -9.456 1.00 14.02 H new ATOM 0 HZ1 LYS A 601 14.430 -53.926 -11.407 1.00 2.41 H new ATOM 0 HZ2 LYS A 601 12.964 -53.433 -10.707 1.00 2.41 H new ATOM 0 HZ3 LYS A 601 13.591 -52.593 -12.042 1.00 2.41 H new ATOM 1126 N ILE A 602 12.768 -48.340 -11.698 1.00 4.53 N ATOM 1127 CA ILE A 602 11.849 -48.761 -12.761 1.00 15.13 C ATOM 1128 C ILE A 602 11.911 -50.273 -12.822 1.00 62.34 C ATOM 1129 O ILE A 602 13.001 -50.854 -12.859 1.00 15.42 O ATOM 1130 CB ILE A 602 12.205 -48.133 -14.146 1.00 55.40 C ATOM 1131 CG1 ILE A 602 12.362 -46.601 -13.990 1.00 1.32 C ATOM 1132 CG2 ILE A 602 11.102 -48.489 -15.179 1.00 53.40 C ATOM 1133 CD1 ILE A 602 11.091 -45.896 -13.492 1.00 23.34 C ATOM 0 H ILE A 602 13.736 -48.231 -12.001 1.00 4.53 H new ATOM 0 HA ILE A 602 10.841 -48.413 -12.533 1.00 15.13 H new ATOM 0 HB ILE A 602 13.150 -48.537 -14.510 1.00 55.40 H new ATOM 0 HG12 ILE A 602 13.176 -46.397 -13.294 1.00 1.32 H new ATOM 0 HG13 ILE A 602 12.650 -46.175 -14.951 1.00 1.32 H new ATOM 0 HG21 ILE A 602 11.352 -48.050 -16.145 1.00 53.40 H new ATOM 0 HG22 ILE A 602 11.034 -49.572 -15.280 1.00 53.40 H new ATOM 0 HG23 ILE A 602 10.144 -48.095 -14.839 1.00 53.40 H new ATOM 0 HD11 ILE A 602 11.278 -44.826 -13.408 1.00 23.34 H new ATOM 0 HD12 ILE A 602 10.279 -46.068 -14.199 1.00 23.34 H new ATOM 0 HD13 ILE A 602 10.813 -46.294 -12.516 1.00 23.34 H new ATOM 1145 N VAL A 603 10.762 -50.906 -12.690 1.00 11.03 N ATOM 1146 CA VAL A 603 10.695 -52.351 -12.511 1.00 1.02 C ATOM 1147 C VAL A 603 10.502 -53.131 -13.820 1.00 13.42 C ATOM 1148 O VAL A 603 9.857 -52.675 -14.753 1.00 52.54 O ATOM 1149 CB VAL A 603 9.595 -52.697 -11.481 1.00 75.10 C ATOM 1150 CG1 VAL A 603 9.543 -54.197 -11.206 1.00 52.02 C ATOM 1151 CG2 VAL A 603 9.845 -51.961 -10.176 1.00 65.15 C ATOM 0 H VAL A 603 9.854 -50.442 -12.703 1.00 11.03 H new ATOM 0 HA VAL A 603 11.666 -52.670 -12.132 1.00 1.02 H new ATOM 0 HB VAL A 603 8.640 -52.385 -11.904 1.00 75.10 H new ATOM 0 HG11 VAL A 603 8.759 -54.406 -10.478 1.00 52.02 H new ATOM 0 HG12 VAL A 603 9.329 -54.730 -12.133 1.00 52.02 H new ATOM 0 HG13 VAL A 603 10.503 -54.528 -10.811 1.00 52.02 H new ATOM 0 HG21 VAL A 603 9.063 -52.214 -9.460 1.00 65.15 H new ATOM 0 HG22 VAL A 603 10.814 -52.254 -9.773 1.00 65.15 H new ATOM 0 HG23 VAL A 603 9.837 -50.886 -10.357 1.00 65.15 H new ATOM 1295 N GLU A 612 3.421 -47.767 -19.905 1.00 44.54 N ATOM 1296 CA GLU A 612 2.756 -47.281 -18.701 1.00 4.22 C ATOM 1297 C GLU A 612 3.323 -45.889 -18.396 1.00 14.43 C ATOM 1298 O GLU A 612 4.317 -45.458 -19.004 1.00 13.24 O ATOM 1299 CB GLU A 612 2.951 -48.266 -17.542 1.00 51.33 C ATOM 1300 CG GLU A 612 2.374 -49.679 -17.819 1.00 4.15 C ATOM 1301 CD GLU A 612 1.482 -50.213 -16.687 1.00 13.21 C ATOM 1302 OE1 GLU A 612 1.942 -50.332 -15.523 1.00 3.43 O ATOM 1303 OE2 GLU A 612 0.273 -50.429 -16.947 1.00 52.30 O ATOM 0 HA GLU A 612 1.679 -47.204 -18.847 1.00 4.22 H new ATOM 0 HB2 GLU A 612 4.016 -48.354 -17.327 1.00 51.33 H new ATOM 0 HB3 GLU A 612 2.478 -47.859 -16.648 1.00 51.33 H new ATOM 0 HG2 GLU A 612 1.796 -49.652 -18.743 1.00 4.15 H new ATOM 0 HG3 GLU A 612 3.198 -50.374 -17.979 1.00 4.15 H new ATOM 1310 N ASN A 613 2.633 -45.145 -17.546 1.00 73.15 N ATOM 1311 CA ASN A 613 2.971 -43.758 -17.261 1.00 64.33 C ATOM 1312 C ASN A 613 2.676 -43.392 -15.812 1.00 35.31 C ATOM 1313 O ASN A 613 1.663 -43.799 -15.232 1.00 13.14 O ATOM 1314 CB ASN A 613 2.192 -42.837 -18.211 1.00 4.00 C ATOM 1315 CG ASN A 613 1.269 -41.890 -17.492 1.00 42.51 C ATOM 1316 OD1 ASN A 613 0.111 -42.184 -17.251 1.00 24.22 O ATOM 1317 ND2 ASN A 613 1.764 -40.732 -17.188 1.00 2.31 N ATOM 0 H ASN A 613 1.820 -45.486 -17.033 1.00 73.15 H new ATOM 0 HA ASN A 613 4.042 -43.629 -17.418 1.00 64.33 H new ATOM 0 HB2 ASN A 613 2.898 -42.262 -18.810 1.00 4.00 H new ATOM 0 HB3 ASN A 613 1.610 -43.447 -18.902 1.00 4.00 H new ATOM 0 HD21 ASN A 613 1.180 -40.031 -16.732 1.00 2.31 H new ATOM 0 HD22 ASN A 613 2.738 -40.521 -17.405 1.00 2.31 H new ATOM 1324 N PHE A 614 3.548 -42.579 -15.246 1.00 30.42 N ATOM 1325 CA PHE A 614 3.368 -42.093 -13.891 1.00 54.20 C ATOM 1326 C PHE A 614 3.954 -40.702 -13.775 1.00 1.44 C ATOM 1327 O PHE A 614 4.635 -40.235 -14.664 1.00 3.14 O ATOM 1328 CB PHE A 614 4.038 -43.044 -12.896 1.00 23.53 C ATOM 1329 CG PHE A 614 5.543 -43.005 -12.927 1.00 33.24 C ATOM 1330 CD1 PHE A 614 6.244 -42.067 -12.147 1.00 35.13 C ATOM 1331 CD2 PHE A 614 6.274 -43.925 -13.702 1.00 1.51 C ATOM 1332 CE1 PHE A 614 7.646 -42.048 -12.114 1.00 11.41 C ATOM 1333 CE2 PHE A 614 7.689 -43.908 -13.683 1.00 21.42 C ATOM 1334 CZ PHE A 614 8.369 -42.968 -12.879 1.00 32.30 C ATOM 0 H PHE A 614 4.392 -42.240 -15.707 1.00 30.42 H new ATOM 0 HA PHE A 614 2.304 -42.051 -13.658 1.00 54.20 H new ATOM 0 HB2 PHE A 614 3.699 -42.797 -11.890 1.00 23.53 H new ATOM 0 HB3 PHE A 614 3.707 -44.062 -13.103 1.00 23.53 H new ATOM 0 HD1 PHE A 614 5.691 -41.347 -11.562 1.00 35.13 H new ATOM 0 HD2 PHE A 614 5.753 -44.647 -14.314 1.00 1.51 H new ATOM 0 HE1 PHE A 614 8.165 -41.326 -11.501 1.00 11.41 H new ATOM 0 HE2 PHE A 614 8.247 -44.612 -14.282 1.00 21.42 H new ATOM 0 HZ PHE A 614 9.449 -42.960 -12.855 1.00 32.30 H new ATOM 1344 N PHE A 615 3.710 -40.048 -12.659 1.00 15.22 N ATOM 1345 CA PHE A 615 4.295 -38.758 -12.366 1.00 43.30 C ATOM 1346 C PHE A 615 4.724 -38.789 -10.916 1.00 11.03 C ATOM 1347 O PHE A 615 4.371 -39.697 -10.205 1.00 21.13 O ATOM 1348 CB PHE A 615 3.304 -37.616 -12.602 1.00 21.15 C ATOM 1349 CG PHE A 615 1.913 -38.059 -12.965 1.00 31.32 C ATOM 1350 CD1 PHE A 615 1.599 -38.402 -14.287 1.00 61.51 C ATOM 1351 CD2 PHE A 615 0.896 -38.098 -11.995 1.00 24.43 C ATOM 1352 CE1 PHE A 615 0.296 -38.797 -14.647 1.00 11.13 C ATOM 1353 CE2 PHE A 615 -0.420 -38.492 -12.343 1.00 33.42 C ATOM 1354 CZ PHE A 615 -0.718 -38.838 -13.673 1.00 13.02 C ATOM 0 H PHE A 615 3.096 -40.400 -11.925 1.00 15.22 H new ATOM 0 HA PHE A 615 5.141 -38.575 -13.029 1.00 43.30 H new ATOM 0 HB2 PHE A 615 3.253 -37.005 -11.701 1.00 21.15 H new ATOM 0 HB3 PHE A 615 3.688 -36.978 -13.398 1.00 21.15 H new ATOM 0 HD1 PHE A 615 2.370 -38.363 -15.043 1.00 61.51 H new ATOM 0 HD2 PHE A 615 1.120 -37.825 -10.974 1.00 24.43 H new ATOM 0 HE1 PHE A 615 0.076 -39.068 -15.669 1.00 11.13 H new ATOM 0 HE2 PHE A 615 -1.192 -38.526 -11.589 1.00 33.42 H new ATOM 0 HZ PHE A 615 -1.720 -39.134 -13.945 1.00 13.02 H new ATOM 1364 N ILE A 616 5.471 -37.800 -10.457 1.00 64.21 N ATOM 1365 CA ILE A 616 5.864 -37.746 -9.048 1.00 74.33 C ATOM 1366 C ILE A 616 5.445 -36.384 -8.565 1.00 53.42 C ATOM 1367 O ILE A 616 5.824 -35.388 -9.160 1.00 44.34 O ATOM 1368 CB ILE A 616 7.396 -37.884 -8.858 1.00 14.42 C ATOM 1369 CG1 ILE A 616 7.983 -38.959 -9.794 1.00 32.10 C ATOM 1370 CG2 ILE A 616 7.730 -38.223 -7.388 1.00 64.24 C ATOM 1371 CD1 ILE A 616 9.471 -38.924 -9.839 1.00 53.12 C ATOM 0 H ILE A 616 5.818 -37.028 -11.027 1.00 64.21 H new ATOM 0 HA ILE A 616 5.399 -38.567 -8.502 1.00 74.33 H new ATOM 0 HB ILE A 616 7.849 -36.926 -9.114 1.00 14.42 H new ATOM 0 HG12 ILE A 616 7.656 -39.944 -9.461 1.00 32.10 H new ATOM 0 HG13 ILE A 616 7.589 -38.815 -10.800 1.00 32.10 H new ATOM 0 HG21 ILE A 616 8.810 -38.316 -7.272 1.00 64.24 H new ATOM 0 HG22 ILE A 616 7.363 -37.428 -6.739 1.00 64.24 H new ATOM 0 HG23 ILE A 616 7.253 -39.164 -7.114 1.00 64.24 H new ATOM 0 HD11 ILE A 616 9.833 -39.701 -10.512 1.00 53.12 H new ATOM 0 HD12 ILE A 616 9.801 -37.949 -10.198 1.00 53.12 H new ATOM 0 HD13 ILE A 616 9.869 -39.096 -8.839 1.00 53.12 H new ATOM 1383 N ALA A 617 4.629 -36.327 -7.530 1.00 12.10 N ATOM 1384 CA ALA A 617 4.127 -35.054 -7.033 1.00 24.21 C ATOM 1385 C ALA A 617 4.748 -34.782 -5.681 1.00 25.12 C ATOM 1386 O ALA A 617 5.048 -35.702 -4.916 1.00 25.45 O ATOM 1387 CB ALA A 617 2.592 -35.088 -6.935 1.00 13.32 C ATOM 0 H ALA A 617 4.298 -37.144 -7.016 1.00 12.10 H new ATOM 0 HA ALA A 617 4.398 -34.253 -7.721 1.00 24.21 H new ATOM 0 HB1 ALA A 617 2.230 -34.130 -6.562 1.00 13.32 H new ATOM 0 HB2 ALA A 617 2.169 -35.277 -7.921 1.00 13.32 H new ATOM 0 HB3 ALA A 617 2.289 -35.881 -6.252 1.00 13.32 H new ATOM 1393 N LEU A 618 4.946 -33.510 -5.405 1.00 23.12 N ATOM 1394 CA LEU A 618 5.518 -33.078 -4.145 1.00 4.13 C ATOM 1395 C LEU A 618 4.387 -32.893 -3.147 1.00 74.25 C ATOM 1396 O LEU A 618 3.308 -32.452 -3.520 1.00 4.15 O ATOM 1397 CB LEU A 618 6.273 -31.762 -4.352 1.00 20.45 C ATOM 1398 CG LEU A 618 7.443 -31.847 -5.348 1.00 33.32 C ATOM 1399 CD1 LEU A 618 7.937 -30.459 -5.690 1.00 74.21 C ATOM 1400 CD2 LEU A 618 8.579 -32.689 -4.789 1.00 52.41 C ATOM 0 H LEU A 618 4.717 -32.749 -6.044 1.00 23.12 H new ATOM 0 HA LEU A 618 6.220 -33.821 -3.767 1.00 4.13 H new ATOM 0 HB2 LEU A 618 5.570 -31.005 -4.701 1.00 20.45 H new ATOM 0 HB3 LEU A 618 6.656 -31.422 -3.390 1.00 20.45 H new ATOM 0 HG LEU A 618 7.082 -32.330 -6.256 1.00 33.32 H new ATOM 0 HD11 LEU A 618 8.765 -30.531 -6.395 1.00 74.21 H new ATOM 0 HD12 LEU A 618 7.127 -29.885 -6.139 1.00 74.21 H new ATOM 0 HD13 LEU A 618 8.276 -29.960 -4.782 1.00 74.21 H new ATOM 0 HD21 LEU A 618 9.392 -32.731 -5.514 1.00 52.41 H new ATOM 0 HD22 LEU A 618 8.942 -32.242 -3.863 1.00 52.41 H new ATOM 0 HD23 LEU A 618 8.219 -33.698 -4.588 1.00 52.41 H new ATOM 1412 N GLY A 619 4.643 -33.238 -1.893 1.00 32.42 N ATOM 1413 CA GLY A 619 3.649 -33.073 -0.839 1.00 34.03 C ATOM 1414 C GLY A 619 3.411 -31.608 -0.540 1.00 72.03 C ATOM 1415 O GLY A 619 2.526 -30.967 -1.091 1.00 60.41 O ATOM 0 H GLY A 619 5.529 -33.634 -1.580 1.00 32.42 H new ATOM 0 HA2 GLY A 619 2.713 -33.543 -1.141 1.00 34.03 H new ATOM 0 HA3 GLY A 619 3.984 -33.582 0.065 1.00 34.03 H new ATOM 1419 N GLU A 620 4.262 -31.057 0.312 1.00 65.21 N ATOM 1420 CA GLU A 620 4.247 -29.635 0.596 1.00 32.03 C ATOM 1421 C GLU A 620 5.625 -29.301 1.167 1.00 12.02 C ATOM 1422 O GLU A 620 6.144 -30.016 2.025 1.00 42.24 O ATOM 1423 CB GLU A 620 3.112 -29.231 1.570 1.00 15.01 C ATOM 1424 CG GLU A 620 3.391 -29.433 3.061 1.00 25.31 C ATOM 1425 CD GLU A 620 2.397 -28.714 3.951 1.00 21.40 C ATOM 1426 OE1 GLU A 620 2.407 -27.457 3.946 1.00 51.34 O ATOM 1427 OE2 GLU A 620 1.683 -29.382 4.721 1.00 41.24 O ATOM 0 H GLU A 620 4.975 -31.579 0.821 1.00 65.21 H new ATOM 0 HA GLU A 620 4.045 -29.070 -0.314 1.00 32.03 H new ATOM 0 HB2 GLU A 620 2.879 -28.179 1.405 1.00 15.01 H new ATOM 0 HB3 GLU A 620 2.219 -29.800 1.309 1.00 15.01 H new ATOM 0 HG2 GLU A 620 3.369 -30.499 3.288 1.00 25.31 H new ATOM 0 HG3 GLU A 620 4.397 -29.079 3.288 1.00 25.31 H new ATOM 1434 N PRO A 621 6.269 -28.257 0.653 1.00 34.45 N ATOM 1435 CA PRO A 621 7.562 -27.907 1.233 1.00 32.41 C ATOM 1436 C PRO A 621 7.372 -27.295 2.628 1.00 24.03 C ATOM 1437 O PRO A 621 6.440 -26.519 2.865 1.00 61.21 O ATOM 1438 CB PRO A 621 8.125 -26.923 0.210 1.00 70.42 C ATOM 1439 CG PRO A 621 6.920 -26.284 -0.384 1.00 53.40 C ATOM 1440 CD PRO A 621 5.898 -27.360 -0.449 1.00 43.42 C ATOM 0 HA PRO A 621 8.234 -28.749 1.399 1.00 32.41 H new ATOM 0 HB2 PRO A 621 8.775 -26.186 0.682 1.00 70.42 H new ATOM 0 HB3 PRO A 621 8.720 -27.433 -0.548 1.00 70.42 H new ATOM 0 HG2 PRO A 621 6.575 -25.450 0.227 1.00 53.40 H new ATOM 0 HG3 PRO A 621 7.135 -25.885 -1.375 1.00 53.40 H new ATOM 0 HD2 PRO A 621 4.891 -26.964 -0.322 1.00 43.42 H new ATOM 0 HD3 PRO A 621 5.919 -27.875 -1.409 1.00 43.42 H new ATOM 1448 N LYS A 622 8.227 -27.686 3.564 1.00 11.41 N ATOM 1449 CA LYS A 622 8.112 -27.262 4.965 1.00 54.34 C ATOM 1450 C LYS A 622 9.444 -26.715 5.418 1.00 45.13 C ATOM 1451 O LYS A 622 10.477 -27.211 5.020 1.00 4.11 O ATOM 1452 CB LYS A 622 7.739 -28.463 5.842 1.00 33.01 C ATOM 1453 CG LYS A 622 6.372 -29.070 5.507 1.00 70.32 C ATOM 1454 CD LYS A 622 6.140 -30.411 6.201 1.00 23.13 C ATOM 1455 CE LYS A 622 6.994 -31.515 5.570 1.00 23.12 C ATOM 1456 NZ LYS A 622 6.712 -32.864 6.152 1.00 63.33 N ATOM 0 H LYS A 622 9.018 -28.303 3.381 1.00 11.41 H new ATOM 0 HA LYS A 622 7.340 -26.498 5.053 1.00 54.34 H new ATOM 0 HB2 LYS A 622 8.504 -29.232 5.734 1.00 33.01 H new ATOM 0 HB3 LYS A 622 7.743 -28.154 6.887 1.00 33.01 H new ATOM 0 HG2 LYS A 622 5.587 -28.373 5.800 1.00 70.32 H new ATOM 0 HG3 LYS A 622 6.293 -29.205 4.428 1.00 70.32 H new ATOM 0 HD2 LYS A 622 6.381 -30.322 7.260 1.00 23.13 H new ATOM 0 HD3 LYS A 622 5.086 -30.680 6.135 1.00 23.13 H new ATOM 0 HE2 LYS A 622 6.811 -31.541 4.496 1.00 23.12 H new ATOM 0 HE3 LYS A 622 8.049 -31.277 5.708 1.00 23.12 H new ATOM 0 HZ1 LYS A 622 7.416 -33.546 5.804 1.00 63.33 H new ATOM 0 HZ2 LYS A 622 6.763 -32.812 7.189 1.00 63.33 H new ATOM 0 HZ3 LYS A 622 5.761 -33.173 5.868 1.00 63.33 H new ATOM 1470 N TRP A 623 9.434 -25.717 6.274 1.00 70.02 N ATOM 1471 CA TRP A 623 10.673 -25.100 6.728 1.00 34.44 C ATOM 1472 C TRP A 623 11.239 -25.905 7.858 1.00 12.34 C ATOM 1473 O TRP A 623 10.643 -25.927 8.936 1.00 60.23 O ATOM 1474 CB TRP A 623 10.369 -23.698 7.243 1.00 50.14 C ATOM 1475 CG TRP A 623 11.388 -22.700 6.879 1.00 5.25 C ATOM 1476 CD1 TRP A 623 12.558 -22.893 6.222 1.00 3.31 C ATOM 1477 CD2 TRP A 623 11.333 -21.299 7.164 1.00 63.41 C ATOM 1478 NE1 TRP A 623 13.222 -21.714 6.032 1.00 65.45 N ATOM 1479 CE2 TRP A 623 12.491 -20.704 6.582 1.00 11.15 C ATOM 1480 CE3 TRP A 623 10.433 -20.487 7.873 1.00 65.25 C ATOM 1481 CZ2 TRP A 623 12.737 -19.318 6.650 1.00 52.24 C ATOM 1482 CZ3 TRP A 623 10.684 -19.123 7.972 1.00 41.21 C ATOM 1483 CH2 TRP A 623 11.828 -18.531 7.339 1.00 72.30 C ATOM 0 H TRP A 623 8.587 -25.312 6.672 1.00 70.02 H new ATOM 0 HA TRP A 623 11.384 -25.057 5.903 1.00 34.44 H new ATOM 0 HB2 TRP A 623 9.404 -23.378 6.851 1.00 50.14 H new ATOM 0 HB3 TRP A 623 10.277 -23.731 8.329 1.00 50.14 H new ATOM 0 HD1 TRP A 623 12.919 -23.856 5.891 1.00 3.31 H new ATOM 0 HE1 TRP A 623 14.118 -21.607 5.556 1.00 65.45 H new ATOM 0 HE3 TRP A 623 9.557 -20.917 8.336 1.00 65.25 H new ATOM 0 HZ2 TRP A 623 13.607 -18.883 6.180 1.00 52.24 H new ATOM 0 HZ3 TRP A 623 10.006 -18.498 8.535 1.00 41.21 H new ATOM 0 HH2 TRP A 623 11.982 -17.464 7.400 1.00 72.30 H new ATOM 1494 N MET A 624 12.404 -26.520 7.682 1.00 0.13 N ATOM 1495 CA MET A 624 13.091 -26.888 8.885 1.00 2.51 C ATOM 1496 C MET A 624 14.488 -26.308 8.954 1.00 74.32 C ATOM 1497 O MET A 624 15.526 -26.950 9.055 1.00 51.11 O ATOM 1498 CB MET A 624 13.383 -28.328 8.677 1.00 41.50 C ATOM 1499 CG MET A 624 12.218 -29.256 8.361 1.00 45.34 C ATOM 1500 SD MET A 624 11.149 -29.619 9.747 1.00 11.33 S ATOM 1501 CE MET A 624 10.266 -31.029 9.063 1.00 51.20 C ATOM 0 H MET A 624 12.851 -26.753 6.795 1.00 0.13 H new ATOM 0 HA MET A 624 12.499 -26.582 9.748 1.00 2.51 H new ATOM 0 HB2 MET A 624 14.104 -28.408 7.863 1.00 41.50 H new ATOM 0 HB3 MET A 624 13.874 -28.702 9.576 1.00 41.50 H new ATOM 0 HG2 MET A 624 11.620 -28.808 7.567 1.00 45.34 H new ATOM 0 HG3 MET A 624 12.614 -30.193 7.971 1.00 45.34 H new ATOM 0 HE1 MET A 624 9.546 -31.397 9.794 1.00 51.20 H new ATOM 0 HE2 MET A 624 9.741 -30.725 8.157 1.00 51.20 H new ATOM 0 HE3 MET A 624 10.975 -31.821 8.823 1.00 51.20 H new ATOM 1511 N GLU A 625 14.326 -25.111 9.371 1.00 21.34 N ATOM 1512 CA GLU A 625 15.162 -24.202 10.055 1.00 5.02 C ATOM 1513 C GLU A 625 13.994 -23.445 10.712 1.00 20.34 C ATOM 1514 O GLU A 625 12.859 -23.612 10.242 1.00 44.53 O ATOM 1515 CB GLU A 625 15.997 -23.427 9.072 1.00 43.13 C ATOM 1516 CG GLU A 625 16.711 -22.256 9.715 1.00 72.40 C ATOM 1517 CD GLU A 625 17.824 -21.697 8.873 1.00 54.43 C ATOM 1518 OE1 GLU A 625 18.626 -22.484 8.326 1.00 14.25 O ATOM 1519 OE2 GLU A 625 17.874 -20.457 8.726 1.00 10.44 O ATOM 0 H GLU A 625 13.424 -24.666 9.204 1.00 21.34 H new ATOM 0 HA GLU A 625 15.932 -24.553 10.742 1.00 5.02 H new ATOM 0 HB2 GLU A 625 16.732 -24.093 8.620 1.00 43.13 H new ATOM 0 HB3 GLU A 625 15.360 -23.062 8.267 1.00 43.13 H new ATOM 0 HG2 GLU A 625 15.988 -21.466 9.918 1.00 72.40 H new ATOM 0 HG3 GLU A 625 17.116 -22.571 10.676 1.00 72.40 H new ATOM 1526 N ARG A 626 14.217 -22.630 11.738 1.00 30.33 N ATOM 1527 CA ARG A 626 13.168 -21.755 12.344 1.00 52.24 C ATOM 1528 C ARG A 626 12.152 -22.506 13.204 1.00 14.13 C ATOM 1529 O ARG A 626 11.786 -22.023 14.263 1.00 64.33 O ATOM 1530 CB ARG A 626 12.402 -20.846 11.305 1.00 23.12 C ATOM 1531 CG ARG A 626 13.162 -20.401 10.052 1.00 61.12 C ATOM 1532 CD ARG A 626 14.329 -19.471 10.339 1.00 24.22 C ATOM 1533 NE ARG A 626 13.862 -18.138 10.769 1.00 70.25 N ATOM 1534 CZ ARG A 626 14.650 -17.104 11.047 1.00 62.31 C ATOM 1535 NH1 ARG A 626 15.956 -17.186 10.959 1.00 11.11 N ATOM 1536 NH2 ARG A 626 14.122 -15.968 11.411 1.00 42.02 N ATOM 0 H ARG A 626 15.128 -22.543 12.189 1.00 30.33 H new ATOM 0 HA ARG A 626 13.751 -21.103 12.995 1.00 52.24 H new ATOM 0 HB2 ARG A 626 11.510 -21.383 10.983 1.00 23.12 H new ATOM 0 HB3 ARG A 626 12.064 -19.951 11.828 1.00 23.12 H new ATOM 0 HG2 ARG A 626 13.533 -21.284 9.531 1.00 61.12 H new ATOM 0 HG3 ARG A 626 12.468 -19.900 9.377 1.00 61.12 H new ATOM 0 HD2 ARG A 626 14.960 -19.905 11.115 1.00 24.22 H new ATOM 0 HD3 ARG A 626 14.945 -19.372 9.446 1.00 24.22 H new ATOM 0 HE ARG A 626 12.856 -18.000 10.860 1.00 70.25 H new ATOM 0 HH11 ARG A 626 16.394 -18.061 10.671 1.00 11.11 H new ATOM 0 HH12 ARG A 626 16.534 -16.375 11.179 1.00 11.11 H new ATOM 0 HH21 ARG A 626 13.109 -15.876 11.481 1.00 42.02 H new ATOM 0 HH22 ARG A 626 14.723 -15.172 11.625 1.00 42.02 H new ATOM 1916 N GLY A 650 7.513 -17.296 6.561 1.00 50.32 N ATOM 1917 CA GLY A 650 8.447 -17.753 5.541 1.00 53.01 C ATOM 1918 C GLY A 650 8.089 -19.001 4.755 1.00 33.45 C ATOM 1919 O GLY A 650 8.963 -19.567 4.109 1.00 51.21 O ATOM 0 HA2 GLY A 650 8.589 -16.939 4.830 1.00 53.01 H new ATOM 0 HA3 GLY A 650 9.409 -17.926 6.023 1.00 53.01 H new ATOM 1923 N LYS A 651 6.850 -19.478 4.844 1.00 64.03 N ATOM 1924 CA LYS A 651 6.476 -20.760 4.298 1.00 71.52 C ATOM 1925 C LYS A 651 6.723 -20.932 2.802 1.00 30.43 C ATOM 1926 O LYS A 651 6.144 -20.202 1.992 1.00 63.04 O ATOM 1927 CB LYS A 651 5.003 -20.947 4.589 1.00 22.25 C ATOM 1928 CG LYS A 651 4.710 -21.981 5.654 1.00 65.34 C ATOM 1929 CD LYS A 651 4.805 -23.451 5.148 1.00 30.51 C ATOM 1930 CE LYS A 651 3.872 -23.720 3.964 1.00 60.35 C ATOM 1931 NZ LYS A 651 3.924 -25.146 3.470 1.00 42.32 N ATOM 0 H LYS A 651 6.085 -18.980 5.298 1.00 64.03 H new ATOM 0 HA LYS A 651 7.111 -21.510 4.769 1.00 71.52 H new ATOM 0 HB2 LYS A 651 4.581 -19.991 4.900 1.00 22.25 H new ATOM 0 HB3 LYS A 651 4.496 -21.235 3.668 1.00 22.25 H new ATOM 0 HG2 LYS A 651 5.408 -21.845 6.480 1.00 65.34 H new ATOM 0 HG3 LYS A 651 3.710 -21.807 6.050 1.00 65.34 H new ATOM 0 HD2 LYS A 651 5.832 -23.666 4.854 1.00 30.51 H new ATOM 0 HD3 LYS A 651 4.558 -24.130 5.964 1.00 30.51 H new ATOM 0 HE2 LYS A 651 2.849 -23.482 4.256 1.00 60.35 H new ATOM 0 HE3 LYS A 651 4.134 -23.050 3.145 1.00 60.35 H new ATOM 0 HZ1 LYS A 651 3.556 -25.190 2.498 1.00 42.32 H new ATOM 0 HZ2 LYS A 651 4.908 -25.482 3.484 1.00 42.32 H new ATOM 0 HZ3 LYS A 651 3.344 -25.749 4.088 1.00 42.32 H new ATOM 1945 N PRO A 652 7.542 -21.924 2.413 1.00 14.02 N ATOM 1946 CA PRO A 652 7.691 -22.162 0.977 1.00 74.51 C ATOM 1947 C PRO A 652 6.433 -22.764 0.387 1.00 61.34 C ATOM 1948 O PRO A 652 5.610 -23.356 1.095 1.00 2.45 O ATOM 1949 CB PRO A 652 8.840 -23.167 0.914 1.00 45.43 C ATOM 1950 CG PRO A 652 8.762 -23.885 2.199 1.00 60.53 C ATOM 1951 CD PRO A 652 8.347 -22.878 3.202 1.00 12.12 C ATOM 0 HA PRO A 652 7.876 -21.248 0.413 1.00 74.51 H new ATOM 0 HB2 PRO A 652 8.728 -23.848 0.070 1.00 45.43 H new ATOM 0 HB3 PRO A 652 9.801 -22.667 0.795 1.00 45.43 H new ATOM 0 HG2 PRO A 652 8.043 -24.703 2.146 1.00 60.53 H new ATOM 0 HG3 PRO A 652 9.725 -24.323 2.461 1.00 60.53 H new ATOM 0 HD2 PRO A 652 7.764 -23.328 4.006 1.00 12.12 H new ATOM 0 HD3 PRO A 652 9.207 -22.393 3.664 1.00 12.12 H new ATOM 1959 N VAL A 653 6.307 -22.627 -0.921 1.00 51.15 N ATOM 1960 CA VAL A 653 5.162 -23.177 -1.667 1.00 11.31 C ATOM 1961 C VAL A 653 5.624 -23.801 -2.991 1.00 41.25 C ATOM 1962 O VAL A 653 6.754 -23.589 -3.425 1.00 72.25 O ATOM 1963 CB VAL A 653 4.067 -22.084 -1.955 1.00 72.04 C ATOM 1964 CG1 VAL A 653 3.467 -21.555 -0.641 1.00 3.45 C ATOM 1965 CG2 VAL A 653 4.629 -20.919 -2.768 1.00 72.14 C ATOM 0 H VAL A 653 6.985 -22.136 -1.504 1.00 51.15 H new ATOM 0 HA VAL A 653 4.716 -23.948 -1.038 1.00 11.31 H new ATOM 0 HB VAL A 653 3.284 -22.563 -2.542 1.00 72.04 H new ATOM 0 HG11 VAL A 653 2.712 -20.801 -0.863 1.00 3.45 H new ATOM 0 HG12 VAL A 653 3.007 -22.378 -0.094 1.00 3.45 H new ATOM 0 HG13 VAL A 653 4.256 -21.111 -0.034 1.00 3.45 H new ATOM 0 HG21 VAL A 653 3.842 -20.186 -2.946 1.00 72.14 H new ATOM 0 HG22 VAL A 653 5.444 -20.450 -2.216 1.00 72.14 H new ATOM 0 HG23 VAL A 653 5.003 -21.289 -3.723 1.00 72.14 H new ATOM 1975 N LEU A 654 4.760 -24.590 -3.613 1.00 72.33 N ATOM 1976 CA LEU A 654 5.048 -25.222 -4.895 1.00 61.21 C ATOM 1977 C LEU A 654 4.957 -24.246 -6.069 1.00 50.30 C ATOM 1978 O LEU A 654 4.341 -23.189 -5.967 1.00 70.02 O ATOM 1979 CB LEU A 654 4.050 -26.361 -5.103 1.00 22.34 C ATOM 1980 CG LEU A 654 4.078 -27.395 -3.966 1.00 70.25 C ATOM 1981 CD1 LEU A 654 3.029 -28.446 -4.161 1.00 12.32 C ATOM 1982 CD2 LEU A 654 5.453 -28.016 -3.875 1.00 21.45 C ATOM 0 H LEU A 654 3.836 -24.811 -3.242 1.00 72.33 H new ATOM 0 HA LEU A 654 6.074 -25.590 -4.867 1.00 61.21 H new ATOM 0 HB2 LEU A 654 3.045 -25.947 -5.186 1.00 22.34 H new ATOM 0 HB3 LEU A 654 4.268 -26.860 -6.047 1.00 22.34 H new ATOM 0 HG LEU A 654 3.857 -26.885 -3.028 1.00 70.25 H new ATOM 0 HD11 LEU A 654 3.075 -29.162 -3.341 1.00 12.32 H new ATOM 0 HD12 LEU A 654 2.045 -27.978 -4.180 1.00 12.32 H new ATOM 0 HD13 LEU A 654 3.203 -28.963 -5.104 1.00 12.32 H new ATOM 0 HD21 LEU A 654 5.469 -28.748 -3.068 1.00 21.45 H new ATOM 0 HD22 LEU A 654 5.693 -28.509 -4.817 1.00 21.45 H new ATOM 0 HD23 LEU A 654 6.191 -27.239 -3.674 1.00 21.45 H new ATOM 1994 N GLY A 655 5.606 -24.614 -7.164 1.00 61.41 N ATOM 1995 CA GLY A 655 5.672 -23.774 -8.352 1.00 20.23 C ATOM 1996 C GLY A 655 4.763 -24.142 -9.497 1.00 33.43 C ATOM 1997 O GLY A 655 3.707 -24.727 -9.326 1.00 31.03 O ATOM 0 H GLY A 655 6.101 -25.501 -7.255 1.00 61.41 H new ATOM 0 HA2 GLY A 655 5.448 -22.749 -8.056 1.00 20.23 H new ATOM 0 HA3 GLY A 655 6.699 -23.783 -8.717 1.00 20.23 H new ATOM 2001 N GLU A 656 5.211 -23.772 -10.688 1.00 52.54 N ATOM 2002 CA GLU A 656 4.471 -24.005 -11.927 1.00 13.12 C ATOM 2003 C GLU A 656 4.451 -25.481 -12.338 1.00 3.20 C ATOM 2004 O GLU A 656 3.448 -25.977 -12.835 1.00 63.41 O ATOM 2005 CB GLU A 656 5.149 -23.235 -13.057 1.00 12.20 C ATOM 2006 CG GLU A 656 5.209 -21.727 -12.900 1.00 41.04 C ATOM 2007 CD GLU A 656 6.089 -21.096 -13.981 1.00 51.52 C ATOM 2008 OE1 GLU A 656 6.456 -21.809 -14.950 1.00 35.25 O ATOM 2009 OE2 GLU A 656 6.477 -19.917 -13.823 1.00 14.51 O ATOM 0 H GLU A 656 6.104 -23.298 -10.826 1.00 52.54 H new ATOM 0 HA GLU A 656 3.446 -23.678 -11.751 1.00 13.12 H new ATOM 0 HB2 GLU A 656 6.167 -23.609 -13.163 1.00 12.20 H new ATOM 0 HB3 GLU A 656 4.628 -23.462 -13.987 1.00 12.20 H new ATOM 0 HG2 GLU A 656 4.203 -21.312 -12.957 1.00 41.04 H new ATOM 0 HG3 GLU A 656 5.602 -21.476 -11.915 1.00 41.04 H new ATOM 2016 N HIS A 657 5.576 -26.170 -12.160 1.00 33.44 N ATOM 2017 CA HIS A 657 5.700 -27.581 -12.570 1.00 31.20 C ATOM 2018 C HIS A 657 6.241 -28.472 -11.440 1.00 51.01 C ATOM 2019 O HIS A 657 7.297 -29.053 -11.570 1.00 5.30 O ATOM 2020 CB HIS A 657 6.641 -27.701 -13.802 1.00 31.54 C ATOM 2021 CG HIS A 657 6.477 -26.601 -14.806 1.00 3.33 C ATOM 2022 ND1 HIS A 657 5.749 -26.720 -15.996 1.00 32.01 N ATOM 2023 CD2 HIS A 657 6.958 -25.329 -14.828 1.00 34.42 C ATOM 2024 CE1 HIS A 657 5.794 -25.560 -16.641 1.00 64.34 C ATOM 2025 NE2 HIS A 657 6.508 -24.713 -15.950 1.00 44.31 N ATOM 0 H HIS A 657 6.418 -25.781 -11.736 1.00 33.44 H new ATOM 0 HA HIS A 657 4.697 -27.926 -12.823 1.00 31.20 H new ATOM 0 HB2 HIS A 657 7.675 -27.712 -13.457 1.00 31.54 H new ATOM 0 HB3 HIS A 657 6.459 -28.657 -14.293 1.00 31.54 H new ATOM 0 HD1 HIS A 657 5.264 -27.559 -16.315 1.00 32.01 H new ATOM 0 HD2 HIS A 657 7.593 -24.883 -14.077 1.00 34.42 H new ATOM 0 HE1 HIS A 657 5.316 -25.351 -17.587 1.00 64.34 H new ATOM 2033 N PRO A 658 5.536 -28.576 -10.302 1.00 64.25 N ATOM 2034 CA PRO A 658 6.018 -29.407 -9.184 1.00 32.03 C ATOM 2035 C PRO A 658 5.767 -30.910 -9.380 1.00 41.04 C ATOM 2036 O PRO A 658 5.552 -31.655 -8.421 1.00 71.11 O ATOM 2037 CB PRO A 658 5.202 -28.865 -8.016 1.00 3.33 C ATOM 2038 CG PRO A 658 3.914 -28.504 -8.634 1.00 31.11 C ATOM 2039 CD PRO A 658 4.264 -27.917 -9.957 1.00 63.32 C ATOM 0 HA PRO A 658 7.099 -29.345 -9.058 1.00 32.03 H new ATOM 0 HB2 PRO A 658 5.076 -29.613 -7.233 1.00 3.33 H new ATOM 0 HB3 PRO A 658 5.683 -28.001 -7.557 1.00 3.33 H new ATOM 0 HG2 PRO A 658 3.274 -29.379 -8.749 1.00 31.11 H new ATOM 0 HG3 PRO A 658 3.369 -27.789 -8.018 1.00 31.11 H new ATOM 0 HD2 PRO A 658 3.493 -28.118 -10.701 1.00 63.32 H new ATOM 0 HD3 PRO A 658 4.376 -26.834 -9.898 1.00 63.32 H new ATOM 2047 N LYS A 659 5.743 -31.327 -10.637 1.00 62.43 N ATOM 2048 CA LYS A 659 5.450 -32.699 -11.025 1.00 11.22 C ATOM 2049 C LYS A 659 6.031 -32.912 -12.401 1.00 64.30 C ATOM 2050 O LYS A 659 6.052 -31.983 -13.199 1.00 74.40 O ATOM 2051 CB LYS A 659 3.953 -32.889 -11.079 1.00 3.21 C ATOM 2052 CG LYS A 659 3.536 -34.330 -11.328 1.00 62.13 C ATOM 2053 CD LYS A 659 2.221 -34.658 -10.654 1.00 30.40 C ATOM 2054 CE LYS A 659 1.089 -34.028 -11.366 1.00 20.31 C ATOM 2055 NZ LYS A 659 0.852 -34.628 -12.753 1.00 72.15 N ATOM 0 H LYS A 659 5.930 -30.712 -11.429 1.00 62.43 H new ATOM 0 HA LYS A 659 5.874 -33.406 -10.312 1.00 11.22 H new ATOM 0 HB2 LYS A 659 3.517 -32.549 -10.139 1.00 3.21 H new ATOM 0 HB3 LYS A 659 3.542 -32.258 -11.867 1.00 3.21 H new ATOM 0 HG2 LYS A 659 3.448 -34.503 -12.401 1.00 62.13 H new ATOM 0 HG3 LYS A 659 4.311 -35.002 -10.959 1.00 62.13 H new ATOM 0 HD2 LYS A 659 2.082 -35.739 -10.627 1.00 30.40 H new ATOM 0 HD3 LYS A 659 2.242 -34.313 -9.620 1.00 30.40 H new ATOM 0 HE2 LYS A 659 0.184 -34.138 -10.769 1.00 20.31 H new ATOM 0 HE3 LYS A 659 1.278 -32.959 -11.465 1.00 20.31 H new ATOM 0 HZ1 LYS A 659 -0.111 -34.397 -13.071 1.00 72.15 H new ATOM 0 HZ2 LYS A 659 1.542 -34.235 -13.424 1.00 72.15 H new ATOM 0 HZ3 LYS A 659 0.963 -35.661 -12.708 1.00 72.15 H new ATOM 2069 N LEU A 660 6.500 -34.120 -12.663 1.00 61.35 N ATOM 2070 CA LEU A 660 7.090 -34.471 -13.947 1.00 2.15 C ATOM 2071 C LEU A 660 6.399 -35.755 -14.397 1.00 30.42 C ATOM 2072 O LEU A 660 6.403 -36.724 -13.649 1.00 14.34 O ATOM 2073 CB LEU A 660 8.605 -34.714 -13.765 1.00 20.30 C ATOM 2074 CG LEU A 660 9.592 -34.373 -14.889 1.00 70.42 C ATOM 2075 CD1 LEU A 660 10.809 -35.286 -14.810 1.00 72.51 C ATOM 2076 CD2 LEU A 660 8.955 -34.443 -16.224 1.00 24.33 C ATOM 0 H LEU A 660 6.483 -34.888 -11.991 1.00 61.35 H new ATOM 0 HA LEU A 660 6.962 -33.678 -14.684 1.00 2.15 H new ATOM 0 HB2 LEU A 660 8.916 -34.154 -12.883 1.00 20.30 H new ATOM 0 HB3 LEU A 660 8.735 -35.771 -13.533 1.00 20.30 H new ATOM 0 HG LEU A 660 9.918 -33.342 -14.750 1.00 70.42 H new ATOM 0 HD11 LEU A 660 11.504 -35.036 -15.612 1.00 72.51 H new ATOM 0 HD12 LEU A 660 11.302 -35.152 -13.847 1.00 72.51 H new ATOM 0 HD13 LEU A 660 10.493 -36.324 -14.914 1.00 72.51 H new ATOM 0 HD21 LEU A 660 9.689 -34.194 -16.991 1.00 24.33 H new ATOM 0 HD22 LEU A 660 8.579 -35.452 -16.395 1.00 24.33 H new ATOM 0 HD23 LEU A 660 8.128 -33.735 -16.270 1.00 24.33 H new ATOM 2088 N GLU A 661 5.777 -35.755 -15.568 1.00 73.03 N ATOM 2089 CA GLU A 661 5.110 -36.952 -16.097 1.00 64.23 C ATOM 2090 C GLU A 661 6.097 -37.780 -16.890 1.00 0.44 C ATOM 2091 O GLU A 661 6.705 -37.280 -17.815 1.00 1.31 O ATOM 2092 CB GLU A 661 3.957 -36.562 -17.016 1.00 30.50 C ATOM 2093 CG GLU A 661 3.234 -37.761 -17.611 1.00 21.34 C ATOM 2094 CD GLU A 661 1.844 -37.393 -18.106 1.00 13.22 C ATOM 2095 OE1 GLU A 661 1.017 -36.955 -17.271 1.00 53.25 O ATOM 2096 OE2 GLU A 661 1.576 -37.530 -19.317 1.00 2.31 O ATOM 0 H GLU A 661 5.717 -34.939 -16.177 1.00 73.03 H new ATOM 0 HA GLU A 661 4.725 -37.527 -15.255 1.00 64.23 H new ATOM 0 HB2 GLU A 661 3.244 -35.956 -16.457 1.00 30.50 H new ATOM 0 HB3 GLU A 661 4.340 -35.939 -17.824 1.00 30.50 H new ATOM 0 HG2 GLU A 661 3.819 -38.165 -18.437 1.00 21.34 H new ATOM 0 HG3 GLU A 661 3.156 -38.548 -16.861 1.00 21.34 H new ATOM 2103 N VAL A 662 6.246 -39.036 -16.514 1.00 41.41 N ATOM 2104 CA VAL A 662 7.177 -39.967 -17.132 1.00 21.30 C ATOM 2105 C VAL A 662 6.349 -41.008 -17.845 1.00 42.34 C ATOM 2106 O VAL A 662 5.302 -41.436 -17.364 1.00 52.41 O ATOM 2107 CB VAL A 662 8.073 -40.669 -16.068 1.00 2.12 C ATOM 2108 CG1 VAL A 662 9.357 -41.251 -16.624 1.00 41.44 C ATOM 2109 CG2 VAL A 662 8.238 -39.835 -14.771 1.00 51.33 C ATOM 0 H VAL A 662 5.710 -39.450 -15.751 1.00 41.41 H new ATOM 0 HA VAL A 662 7.836 -39.430 -17.814 1.00 21.30 H new ATOM 0 HB VAL A 662 7.519 -41.554 -15.755 1.00 2.12 H new ATOM 0 HG11 VAL A 662 9.922 -41.721 -15.819 1.00 41.44 H new ATOM 0 HG12 VAL A 662 9.120 -41.996 -17.384 1.00 41.44 H new ATOM 0 HG13 VAL A 662 9.954 -40.455 -17.070 1.00 41.44 H new ATOM 0 HG21 VAL A 662 8.872 -40.376 -14.069 1.00 51.33 H new ATOM 0 HG22 VAL A 662 8.698 -38.876 -15.011 1.00 51.33 H new ATOM 0 HG23 VAL A 662 7.260 -39.665 -14.321 1.00 51.33 H new ATOM 2119 N ILE A 663 6.833 -41.395 -19.005 1.00 62.42 N ATOM 2120 CA ILE A 663 6.227 -42.428 -19.818 1.00 52.32 C ATOM 2121 C ILE A 663 7.335 -43.439 -19.937 1.00 33.42 C ATOM 2122 O ILE A 663 8.474 -43.059 -20.227 1.00 72.02 O ATOM 2123 CB ILE A 663 5.863 -41.876 -21.218 1.00 75.53 C ATOM 2124 CG1 ILE A 663 4.600 -40.995 -21.131 1.00 23.33 C ATOM 2125 CG2 ILE A 663 5.728 -43.017 -22.246 1.00 22.41 C ATOM 2126 CD1 ILE A 663 3.281 -41.723 -21.466 1.00 10.51 C ATOM 0 H ILE A 663 7.675 -40.993 -19.418 1.00 62.42 H new ATOM 0 HA ILE A 663 5.305 -42.827 -19.395 1.00 52.32 H new ATOM 0 HB ILE A 663 6.675 -41.241 -21.573 1.00 75.53 H new ATOM 0 HG12 ILE A 663 4.528 -40.586 -20.123 1.00 23.33 H new ATOM 0 HG13 ILE A 663 4.715 -40.150 -21.810 1.00 23.33 H new ATOM 0 HG21 ILE A 663 5.472 -42.601 -23.220 1.00 22.41 H new ATOM 0 HG22 ILE A 663 6.673 -43.555 -22.318 1.00 22.41 H new ATOM 0 HG23 ILE A 663 4.943 -43.703 -21.927 1.00 22.41 H new ATOM 0 HD11 ILE A 663 2.448 -41.025 -21.378 1.00 10.51 H new ATOM 0 HD12 ILE A 663 3.326 -42.108 -22.485 1.00 10.51 H new ATOM 0 HD13 ILE A 663 3.136 -42.551 -20.772 1.00 10.51 H new ATOM 2138 N ILE A 664 7.031 -44.701 -19.695 1.00 30.11 N ATOM 2139 CA ILE A 664 8.034 -45.745 -19.852 1.00 70.11 C ATOM 2140 C ILE A 664 7.968 -46.267 -21.296 1.00 12.14 C ATOM 2141 O ILE A 664 6.965 -46.834 -21.733 1.00 14.14 O ATOM 2142 CB ILE A 664 7.906 -46.813 -18.754 1.00 22.55 C ATOM 2143 CG1 ILE A 664 8.263 -46.139 -17.406 1.00 21.22 C ATOM 2144 CG2 ILE A 664 8.869 -48.002 -19.027 1.00 45.54 C ATOM 2145 CD1 ILE A 664 7.867 -46.888 -16.182 1.00 1.54 C ATOM 0 H ILE A 664 6.113 -45.028 -19.393 1.00 30.11 H new ATOM 0 HA ILE A 664 9.041 -45.353 -19.707 1.00 70.11 H new ATOM 0 HB ILE A 664 6.891 -47.210 -18.733 1.00 22.55 H new ATOM 0 HG12 ILE A 664 9.340 -45.976 -17.377 1.00 21.22 H new ATOM 0 HG13 ILE A 664 7.791 -45.157 -17.376 1.00 21.22 H new ATOM 0 HG21 ILE A 664 8.762 -48.746 -18.238 1.00 45.54 H new ATOM 0 HG22 ILE A 664 8.625 -48.455 -19.988 1.00 45.54 H new ATOM 0 HG23 ILE A 664 9.897 -47.640 -19.047 1.00 45.54 H new ATOM 0 HD11 ILE A 664 8.165 -46.324 -15.298 1.00 1.54 H new ATOM 0 HD12 ILE A 664 6.786 -47.028 -16.175 1.00 1.54 H new ATOM 0 HD13 ILE A 664 8.359 -47.861 -16.175 1.00 1.54 H new