USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 588 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 592 GLN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 542 HIS : no HD1:sc= -0.0731 X(o=-0.073,f=0) USER MOD Single : A 543 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 548 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 554 TYR OH : rot 180:sc= 0 USER MOD Single : A 555 THR OG1 : rot 75:sc= 1.19 USER MOD Single : A 556 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 558 CYS SG : rot 101:sc= -0.0861 USER MOD Single : A 564 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-2.4!) USER MOD Single : A 570 MET CE :methyl -104:sc= -4.52! (180deg=-7.57!) USER MOD Single : A 575 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 580 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.031) USER MOD Single : A 581 GLN : amide:sc= -1.92 K(o=-1.9,f=-4!) USER MOD Single : A 589 TYR OH : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 591 SER OG : rot 180:sc= 0 USER MOD Single : A 593 HIS : no HD1:sc= -0.0735 X(o=-0.074,f=0) USER MOD Single : A 595 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 540 -8.818 11.227 -3.219 1.00 11.33 N ATOM 2 CA GLY A 540 -7.567 11.962 -3.246 1.00 13.12 C ATOM 3 C GLY A 540 -7.381 12.743 -4.532 1.00 0.34 C ATOM 4 O GLY A 540 -6.578 12.381 -5.392 1.00 74.32 O ATOM 0 HA2 GLY A 540 -7.534 12.648 -2.400 1.00 13.12 H new ATOM 0 HA3 GLY A 540 -6.737 11.266 -3.124 1.00 13.12 H new ATOM 8 N PRO A 541 -8.137 13.842 -4.677 1.00 22.54 N ATOM 9 CA PRO A 541 -8.070 14.697 -5.865 1.00 14.21 C ATOM 10 C PRO A 541 -6.758 15.470 -5.949 1.00 55.23 C ATOM 11 O PRO A 541 -6.191 15.634 -7.030 1.00 72.41 O ATOM 12 CB PRO A 541 -9.247 15.658 -5.676 1.00 2.23 C ATOM 13 CG PRO A 541 -9.468 15.702 -4.203 1.00 72.13 C ATOM 14 CD PRO A 541 -9.115 14.332 -3.691 1.00 55.34 C ATOM 0 HA PRO A 541 -8.118 14.119 -6.788 1.00 14.21 H new ATOM 0 HB2 PRO A 541 -9.018 16.647 -6.072 1.00 2.23 H new ATOM 0 HB3 PRO A 541 -10.135 15.304 -6.199 1.00 2.23 H new ATOM 0 HG2 PRO A 541 -8.845 16.465 -3.737 1.00 72.13 H new ATOM 0 HG3 PRO A 541 -10.504 15.951 -3.971 1.00 72.13 H new ATOM 0 HD2 PRO A 541 -8.688 14.375 -2.689 1.00 55.34 H new ATOM 0 HD3 PRO A 541 -9.991 13.685 -3.637 1.00 55.34 H new ATOM 22 N HIS A 542 -6.281 15.944 -4.803 1.00 25.44 N ATOM 23 CA HIS A 542 -5.034 16.699 -4.748 1.00 31.24 C ATOM 24 C HIS A 542 -3.849 15.820 -5.136 1.00 23.12 C ATOM 25 O HIS A 542 -3.761 14.663 -4.725 1.00 51.23 O ATOM 26 CB HIS A 542 -4.822 17.271 -3.346 1.00 4.12 C ATOM 27 CG HIS A 542 -5.657 18.482 -3.061 1.00 12.20 C ATOM 28 ND1 HIS A 542 -6.312 18.679 -1.864 1.00 13.22 N ATOM 29 CD2 HIS A 542 -5.940 19.562 -3.826 1.00 23.25 C ATOM 30 CE1 HIS A 542 -6.964 19.828 -1.906 1.00 25.22 C ATOM 31 NE2 HIS A 542 -6.753 20.383 -3.086 1.00 14.54 N ATOM 0 H HIS A 542 -6.739 15.819 -3.900 1.00 25.44 H new ATOM 0 HA HIS A 542 -5.103 17.520 -5.461 1.00 31.24 H new ATOM 0 HB2 HIS A 542 -5.051 16.501 -2.610 1.00 4.12 H new ATOM 0 HB3 HIS A 542 -3.770 17.528 -3.222 1.00 4.12 H new ATOM 0 HD2 HIS A 542 -5.591 19.744 -4.832 1.00 23.25 H new ATOM 0 HE1 HIS A 542 -7.566 20.242 -1.111 1.00 25.22 H new ATOM 0 HE2 HIS A 542 -7.133 21.277 -3.397 1.00 14.54 H new ATOM 40 N MET A 543 -2.939 16.377 -5.929 1.00 14.13 N ATOM 41 CA MET A 543 -1.759 15.643 -6.371 1.00 54.03 C ATOM 42 C MET A 543 -0.595 16.593 -6.631 1.00 1.30 C ATOM 43 O MET A 543 -0.714 17.538 -7.411 1.00 61.31 O ATOM 44 CB MET A 543 -2.075 14.845 -7.637 1.00 42.55 C ATOM 45 CG MET A 543 -3.017 13.677 -7.400 1.00 71.44 C ATOM 46 SD MET A 543 -3.079 12.540 -8.798 1.00 72.24 S ATOM 47 CE MET A 543 -4.655 12.983 -9.525 1.00 61.35 C ATOM 0 H MET A 543 -2.996 17.334 -6.278 1.00 14.13 H new ATOM 0 HA MET A 543 -1.471 14.953 -5.578 1.00 54.03 H new ATOM 0 HB2 MET A 543 -2.517 15.513 -8.377 1.00 42.55 H new ATOM 0 HB3 MET A 543 -1.144 14.470 -8.062 1.00 42.55 H new ATOM 0 HG2 MET A 543 -2.700 13.135 -6.509 1.00 71.44 H new ATOM 0 HG3 MET A 543 -4.019 14.058 -7.202 1.00 71.44 H new ATOM 0 HE1 MET A 543 -4.837 12.364 -10.404 1.00 61.35 H new ATOM 0 HE2 MET A 543 -5.450 12.822 -8.797 1.00 61.35 H new ATOM 0 HE3 MET A 543 -4.638 14.033 -9.818 1.00 61.35 H new ATOM 57 N GLY A 544 0.531 16.336 -5.972 1.00 40.41 N ATOM 58 CA GLY A 544 1.701 17.178 -6.146 1.00 11.11 C ATOM 59 C GLY A 544 2.982 16.485 -5.728 1.00 31.42 C ATOM 60 O GLY A 544 3.566 15.726 -6.501 1.00 75.23 O ATOM 0 H GLY A 544 0.654 15.560 -5.321 1.00 40.41 H new ATOM 0 HA2 GLY A 544 1.778 17.476 -7.192 1.00 11.11 H new ATOM 0 HA3 GLY A 544 1.578 18.090 -5.562 1.00 11.11 H new ATOM 64 N ASP A 545 3.421 16.746 -4.501 1.00 73.22 N ATOM 65 CA ASP A 545 4.642 16.142 -3.982 1.00 14.02 C ATOM 66 C ASP A 545 4.466 14.638 -3.793 1.00 24.10 C ATOM 67 O ASP A 545 5.435 13.879 -3.834 1.00 45.23 O ATOM 68 CB ASP A 545 5.032 16.792 -2.654 1.00 25.44 C ATOM 69 CG ASP A 545 5.223 18.290 -2.777 1.00 12.53 C ATOM 70 OD1 ASP A 545 5.430 18.772 -3.910 1.00 41.43 O ATOM 71 OD2 ASP A 545 5.163 18.983 -1.740 1.00 12.05 O ATOM 0 H ASP A 545 2.949 17.372 -3.848 1.00 73.22 H new ATOM 0 HA ASP A 545 5.438 16.309 -4.708 1.00 14.02 H new ATOM 0 HB2 ASP A 545 4.260 16.587 -1.912 1.00 25.44 H new ATOM 0 HB3 ASP A 545 5.954 16.340 -2.288 1.00 25.44 H new ATOM 77 N LEU A 546 3.224 14.214 -3.587 1.00 3.33 N ATOM 78 CA LEU A 546 2.922 12.800 -3.391 1.00 55.23 C ATOM 79 C LEU A 546 3.474 11.961 -4.539 1.00 22.34 C ATOM 80 O LEU A 546 3.789 10.784 -4.364 1.00 41.24 O ATOM 81 CB LEU A 546 1.411 12.594 -3.275 1.00 15.41 C ATOM 82 CG LEU A 546 0.837 12.619 -1.858 1.00 55.01 C ATOM 83 CD1 LEU A 546 -0.675 12.461 -1.891 1.00 35.33 C ATOM 84 CD2 LEU A 546 1.470 11.529 -1.007 1.00 34.54 C ATOM 0 H LEU A 546 2.410 14.828 -3.551 1.00 3.33 H new ATOM 0 HA LEU A 546 3.400 12.476 -2.466 1.00 55.23 H new ATOM 0 HB2 LEU A 546 0.913 13.367 -3.861 1.00 15.41 H new ATOM 0 HB3 LEU A 546 1.159 11.636 -3.731 1.00 15.41 H new ATOM 0 HG LEU A 546 1.071 13.584 -1.409 1.00 55.01 H new ATOM 0 HD11 LEU A 546 -1.065 12.481 -0.873 1.00 35.33 H new ATOM 0 HD12 LEU A 546 -1.114 13.278 -2.464 1.00 35.33 H new ATOM 0 HD13 LEU A 546 -0.931 11.511 -2.359 1.00 35.33 H new ATOM 0 HD21 LEU A 546 1.050 11.562 -0.002 1.00 34.54 H new ATOM 0 HD22 LEU A 546 1.268 10.555 -1.453 1.00 34.54 H new ATOM 0 HD23 LEU A 546 2.547 11.687 -0.955 1.00 34.54 H new ATOM 96 N ALA A 547 3.589 12.575 -5.711 1.00 65.25 N ATOM 97 CA ALA A 547 4.108 11.887 -6.886 1.00 62.54 C ATOM 98 C ALA A 547 5.474 11.270 -6.603 1.00 62.14 C ATOM 99 O ALA A 547 5.822 10.226 -7.156 1.00 71.20 O ATOM 100 CB ALA A 547 4.193 12.844 -8.065 1.00 43.23 C ATOM 0 H ALA A 547 3.330 13.548 -5.872 1.00 65.25 H new ATOM 0 HA ALA A 547 3.419 11.080 -7.137 1.00 62.54 H new ATOM 0 HB1 ALA A 547 4.582 12.316 -8.935 1.00 43.23 H new ATOM 0 HB2 ALA A 547 3.200 13.232 -8.291 1.00 43.23 H new ATOM 0 HB3 ALA A 547 4.858 13.671 -7.815 1.00 43.23 H new ATOM 106 N LYS A 548 6.245 11.923 -5.740 1.00 52.11 N ATOM 107 CA LYS A 548 7.573 11.439 -5.383 1.00 3.52 C ATOM 108 C LYS A 548 7.485 10.325 -4.345 1.00 63.20 C ATOM 109 O LYS A 548 8.371 9.476 -4.258 1.00 63.41 O ATOM 110 CB LYS A 548 8.428 12.587 -4.842 1.00 44.52 C ATOM 111 CG LYS A 548 9.891 12.222 -4.656 1.00 14.34 C ATOM 112 CD LYS A 548 10.799 13.416 -4.897 1.00 30.25 C ATOM 113 CE LYS A 548 12.251 13.081 -4.591 1.00 41.51 C ATOM 114 NZ LYS A 548 13.157 14.229 -4.876 1.00 54.22 N ATOM 0 H LYS A 548 5.973 12.789 -5.275 1.00 52.11 H new ATOM 0 HA LYS A 548 8.040 11.038 -6.282 1.00 3.52 H new ATOM 0 HB2 LYS A 548 8.358 13.434 -5.525 1.00 44.52 H new ATOM 0 HB3 LYS A 548 8.019 12.914 -3.886 1.00 44.52 H new ATOM 0 HG2 LYS A 548 10.047 11.843 -3.646 1.00 14.34 H new ATOM 0 HG3 LYS A 548 10.156 11.418 -5.342 1.00 14.34 H new ATOM 0 HD2 LYS A 548 10.710 13.739 -5.934 1.00 30.25 H new ATOM 0 HD3 LYS A 548 10.478 14.251 -4.274 1.00 30.25 H new ATOM 0 HE2 LYS A 548 12.345 12.796 -3.543 1.00 41.51 H new ATOM 0 HE3 LYS A 548 12.558 12.220 -5.185 1.00 41.51 H new ATOM 0 HZ1 LYS A 548 14.137 13.961 -4.655 1.00 54.22 H new ATOM 0 HZ2 LYS A 548 13.087 14.485 -5.881 1.00 54.22 H new ATOM 0 HZ3 LYS A 548 12.880 15.043 -4.291 1.00 54.22 H new ATOM 128 N GLU A 549 6.411 10.334 -3.563 1.00 3.43 N ATOM 129 CA GLU A 549 6.209 9.323 -2.532 1.00 13.03 C ATOM 130 C GLU A 549 5.782 7.995 -3.149 1.00 3.02 C ATOM 131 O GLU A 549 6.457 6.977 -2.988 1.00 14.23 O ATOM 132 CB GLU A 549 5.156 9.792 -1.525 1.00 71.11 C ATOM 133 CG GLU A 549 5.748 10.397 -0.263 1.00 10.22 C ATOM 134 CD GLU A 549 5.722 11.913 -0.275 1.00 54.23 C ATOM 135 OE1 GLU A 549 4.773 12.494 0.293 1.00 50.41 O ATOM 136 OE2 GLU A 549 6.648 12.518 -0.852 1.00 43.43 O ATOM 0 H GLU A 549 5.668 11.030 -3.623 1.00 3.43 H new ATOM 0 HA GLU A 549 7.156 9.175 -2.014 1.00 13.03 H new ATOM 0 HB2 GLU A 549 4.511 10.529 -2.003 1.00 71.11 H new ATOM 0 HB3 GLU A 549 4.525 8.946 -1.251 1.00 71.11 H new ATOM 0 HG2 GLU A 549 5.194 10.035 0.603 1.00 10.22 H new ATOM 0 HG3 GLU A 549 6.777 10.056 -0.149 1.00 10.22 H new ATOM 144 N ARG A 550 4.656 8.012 -3.856 1.00 45.44 N ATOM 145 CA ARG A 550 4.138 6.810 -4.496 1.00 61.41 C ATOM 146 C ARG A 550 5.147 6.246 -5.492 1.00 71.41 C ATOM 147 O ARG A 550 5.141 5.051 -5.788 1.00 34.34 O ATOM 148 CB ARG A 550 2.818 7.113 -5.207 1.00 52.35 C ATOM 149 CG ARG A 550 1.993 5.874 -5.517 1.00 64.01 C ATOM 150 CD ARG A 550 0.641 6.239 -6.107 1.00 15.11 C ATOM 151 NE ARG A 550 0.148 5.213 -7.023 1.00 1.41 N ATOM 152 CZ ARG A 550 -1.125 5.102 -7.386 1.00 21.52 C ATOM 153 NH1 ARG A 550 -2.029 5.948 -6.913 1.00 11.42 N ATOM 154 NH2 ARG A 550 -1.495 4.142 -8.224 1.00 43.42 N ATOM 0 H ARG A 550 4.086 8.845 -3.999 1.00 45.44 H new ATOM 0 HA ARG A 550 3.962 6.064 -3.721 1.00 61.41 H new ATOM 0 HB2 ARG A 550 2.227 7.786 -4.586 1.00 52.35 H new ATOM 0 HB3 ARG A 550 3.029 7.640 -6.137 1.00 52.35 H new ATOM 0 HG2 ARG A 550 2.537 5.239 -6.216 1.00 64.01 H new ATOM 0 HG3 ARG A 550 1.849 5.294 -4.605 1.00 64.01 H new ATOM 0 HD2 ARG A 550 -0.079 6.382 -5.301 1.00 15.11 H new ATOM 0 HD3 ARG A 550 0.721 7.189 -6.636 1.00 15.11 H new ATOM 0 HE ARG A 550 0.818 4.545 -7.405 1.00 1.41 H new ATOM 0 HH11 ARG A 550 -1.748 6.687 -6.268 1.00 11.42 H new ATOM 0 HH12 ARG A 550 -3.006 5.860 -7.194 1.00 11.42 H new ATOM 0 HH21 ARG A 550 -0.802 3.489 -8.590 1.00 43.42 H new ATOM 0 HH22 ARG A 550 -2.473 4.057 -8.503 1.00 43.42 H new ATOM 168 N ALA A 551 6.012 7.114 -6.007 1.00 33.42 N ATOM 169 CA ALA A 551 7.027 6.702 -6.968 1.00 52.01 C ATOM 170 C ALA A 551 8.120 5.879 -6.294 1.00 31.51 C ATOM 171 O ALA A 551 8.444 4.778 -6.737 1.00 34.12 O ATOM 172 CB ALA A 551 7.629 7.920 -7.654 1.00 11.13 C ATOM 0 H ALA A 551 6.030 8.107 -5.774 1.00 33.42 H new ATOM 0 HA ALA A 551 6.547 6.075 -7.719 1.00 52.01 H new ATOM 0 HB1 ALA A 551 8.386 7.598 -8.369 1.00 11.13 H new ATOM 0 HB2 ALA A 551 6.845 8.468 -8.177 1.00 11.13 H new ATOM 0 HB3 ALA A 551 8.088 8.568 -6.908 1.00 11.13 H new ATOM 178 N GLY A 552 8.685 6.421 -5.219 1.00 22.13 N ATOM 179 CA GLY A 552 9.736 5.722 -4.502 1.00 1.34 C ATOM 180 C GLY A 552 9.206 4.563 -3.681 1.00 3.24 C ATOM 181 O GLY A 552 9.742 3.457 -3.738 1.00 51.00 O ATOM 0 H GLY A 552 8.434 7.331 -4.832 1.00 22.13 H new ATOM 0 HA2 GLY A 552 10.473 5.351 -5.214 1.00 1.34 H new ATOM 0 HA3 GLY A 552 10.252 6.423 -3.845 1.00 1.34 H new ATOM 185 N VAL A 553 8.151 4.817 -2.913 1.00 2.20 N ATOM 186 CA VAL A 553 7.549 3.787 -2.076 1.00 3.25 C ATOM 187 C VAL A 553 7.210 2.545 -2.892 1.00 12.41 C ATOM 188 O VAL A 553 7.625 1.435 -2.556 1.00 11.44 O ATOM 189 CB VAL A 553 6.271 4.300 -1.385 1.00 42.34 C ATOM 190 CG1 VAL A 553 5.614 3.187 -0.583 1.00 65.31 C ATOM 191 CG2 VAL A 553 6.589 5.494 -0.497 1.00 73.25 C ATOM 0 H VAL A 553 7.696 5.728 -2.854 1.00 2.20 H new ATOM 0 HA VAL A 553 8.285 3.528 -1.315 1.00 3.25 H new ATOM 0 HB VAL A 553 5.568 4.624 -2.152 1.00 42.34 H new ATOM 0 HG11 VAL A 553 4.713 3.568 -0.102 1.00 65.31 H new ATOM 0 HG12 VAL A 553 5.350 2.366 -1.249 1.00 65.31 H new ATOM 0 HG13 VAL A 553 6.307 2.829 0.178 1.00 65.31 H new ATOM 0 HG21 VAL A 553 5.675 5.844 -0.017 1.00 73.25 H new ATOM 0 HG22 VAL A 553 7.310 5.199 0.266 1.00 73.25 H new ATOM 0 HG23 VAL A 553 7.010 6.296 -1.103 1.00 73.25 H new ATOM 201 N TYR A 554 6.453 2.739 -3.967 1.00 32.34 N ATOM 202 CA TYR A 554 6.055 1.635 -4.831 1.00 23.44 C ATOM 203 C TYR A 554 7.268 0.814 -5.259 1.00 60.42 C ATOM 204 O TYR A 554 7.220 -0.417 -5.296 1.00 3.50 O ATOM 205 CB TYR A 554 5.321 2.163 -6.064 1.00 54.32 C ATOM 206 CG TYR A 554 4.911 1.079 -7.036 1.00 23.13 C ATOM 207 CD1 TYR A 554 3.687 0.435 -6.911 1.00 73.54 C ATOM 208 CD2 TYR A 554 5.749 0.700 -8.076 1.00 61.45 C ATOM 209 CE1 TYR A 554 3.308 -0.557 -7.796 1.00 51.43 C ATOM 210 CE2 TYR A 554 5.378 -0.289 -8.967 1.00 72.31 C ATOM 211 CZ TYR A 554 4.157 -0.915 -8.823 1.00 23.23 C ATOM 212 OH TYR A 554 3.785 -1.901 -9.707 1.00 32.12 O ATOM 0 H TYR A 554 6.103 3.651 -4.260 1.00 32.34 H new ATOM 0 HA TYR A 554 5.383 0.989 -4.266 1.00 23.44 H new ATOM 0 HB2 TYR A 554 4.432 2.706 -5.742 1.00 54.32 H new ATOM 0 HB3 TYR A 554 5.962 2.878 -6.580 1.00 54.32 H new ATOM 0 HD1 TYR A 554 3.020 0.714 -6.109 1.00 73.54 H new ATOM 0 HD2 TYR A 554 6.707 1.186 -8.191 1.00 61.45 H new ATOM 0 HE1 TYR A 554 2.353 -1.049 -7.684 1.00 51.43 H new ATOM 0 HE2 TYR A 554 6.041 -0.571 -9.772 1.00 72.31 H new ATOM 0 HH TYR A 554 4.495 -2.031 -10.370 1.00 32.12 H new ATOM 222 N THR A 555 8.357 1.505 -5.584 1.00 12.15 N ATOM 223 CA THR A 555 9.582 0.843 -6.010 1.00 63.41 C ATOM 224 C THR A 555 10.025 -0.203 -4.994 1.00 22.51 C ATOM 225 O THR A 555 10.392 -1.321 -5.356 1.00 65.15 O ATOM 226 CB THR A 555 10.725 1.855 -6.218 1.00 1.52 C ATOM 227 OG1 THR A 555 10.288 2.916 -7.076 1.00 2.22 O ATOM 228 CG2 THR A 555 11.945 1.178 -6.822 1.00 42.24 C ATOM 0 H THR A 555 8.414 2.523 -5.560 1.00 12.15 H new ATOM 0 HA THR A 555 9.362 0.354 -6.959 1.00 63.41 H new ATOM 0 HB THR A 555 11.001 2.263 -5.246 1.00 1.52 H new ATOM 0 HG1 THR A 555 9.696 3.517 -6.577 1.00 2.22 H new ATOM 0 HG21 THR A 555 12.738 1.913 -6.959 1.00 42.24 H new ATOM 0 HG22 THR A 555 12.292 0.390 -6.154 1.00 42.24 H new ATOM 0 HG23 THR A 555 11.681 0.745 -7.787 1.00 42.24 H new ATOM 236 N LYS A 556 9.989 0.166 -3.717 1.00 72.23 N ATOM 237 CA LYS A 556 10.384 -0.741 -2.647 1.00 13.10 C ATOM 238 C LYS A 556 9.286 -1.762 -2.366 1.00 63.30 C ATOM 239 O LYS A 556 9.567 -2.924 -2.066 1.00 41.20 O ATOM 240 CB LYS A 556 10.700 0.047 -1.374 1.00 1.14 C ATOM 241 CG LYS A 556 12.173 0.377 -1.212 1.00 61.45 C ATOM 242 CD LYS A 556 12.559 1.612 -2.010 1.00 21.13 C ATOM 243 CE LYS A 556 14.021 1.976 -1.802 1.00 5.01 C ATOM 244 NZ LYS A 556 14.923 1.162 -2.663 1.00 41.12 N ATOM 0 H LYS A 556 9.690 1.088 -3.399 1.00 72.23 H new ATOM 0 HA LYS A 556 11.278 -1.275 -2.968 1.00 13.10 H new ATOM 0 HB2 LYS A 556 10.127 0.974 -1.379 1.00 1.14 H new ATOM 0 HB3 LYS A 556 10.368 -0.528 -0.509 1.00 1.14 H new ATOM 0 HG2 LYS A 556 12.397 0.539 -0.158 1.00 61.45 H new ATOM 0 HG3 LYS A 556 12.775 -0.471 -1.538 1.00 61.45 H new ATOM 0 HD2 LYS A 556 12.375 1.434 -3.069 1.00 21.13 H new ATOM 0 HD3 LYS A 556 11.929 2.450 -1.713 1.00 21.13 H new ATOM 0 HE2 LYS A 556 14.167 3.034 -2.021 1.00 5.01 H new ATOM 0 HE3 LYS A 556 14.287 1.828 -0.755 1.00 5.01 H new ATOM 0 HZ1 LYS A 556 15.910 1.440 -2.492 1.00 41.12 H new ATOM 0 HZ2 LYS A 556 14.803 0.154 -2.436 1.00 41.12 H new ATOM 0 HZ3 LYS A 556 14.687 1.323 -3.663 1.00 41.12 H new ATOM 258 N LEU A 557 8.037 -1.324 -2.467 1.00 20.15 N ATOM 259 CA LEU A 557 6.896 -2.201 -2.225 1.00 20.33 C ATOM 260 C LEU A 557 6.951 -3.428 -3.129 1.00 45.23 C ATOM 261 O LEU A 557 6.435 -4.491 -2.783 1.00 12.13 O ATOM 262 CB LEU A 557 5.587 -1.443 -2.453 1.00 22.43 C ATOM 263 CG LEU A 557 4.998 -0.740 -1.231 1.00 14.44 C ATOM 264 CD1 LEU A 557 3.854 0.175 -1.641 1.00 71.24 C ATOM 265 CD2 LEU A 557 4.526 -1.759 -0.203 1.00 74.03 C ATOM 0 H LEU A 557 7.788 -0.367 -2.715 1.00 20.15 H new ATOM 0 HA LEU A 557 6.939 -2.534 -1.188 1.00 20.33 H new ATOM 0 HB2 LEU A 557 5.753 -0.698 -3.231 1.00 22.43 H new ATOM 0 HB3 LEU A 557 4.846 -2.145 -2.836 1.00 22.43 H new ATOM 0 HG LEU A 557 5.779 -0.131 -0.776 1.00 14.44 H new ATOM 0 HD11 LEU A 557 3.447 0.667 -0.758 1.00 71.24 H new ATOM 0 HD12 LEU A 557 4.222 0.928 -2.338 1.00 71.24 H new ATOM 0 HD13 LEU A 557 3.072 -0.413 -2.121 1.00 71.24 H new ATOM 0 HD21 LEU A 557 4.110 -1.239 0.660 1.00 74.03 H new ATOM 0 HD22 LEU A 557 3.761 -2.396 -0.647 1.00 74.03 H new ATOM 0 HD23 LEU A 557 5.369 -2.372 0.115 1.00 74.03 H new ATOM 277 N CYS A 558 7.581 -3.274 -4.288 1.00 44.13 N ATOM 278 CA CYS A 558 7.705 -4.369 -5.243 1.00 64.23 C ATOM 279 C CYS A 558 8.631 -5.457 -4.705 1.00 73.25 C ATOM 280 O CYS A 558 8.576 -6.606 -5.143 1.00 52.34 O ATOM 281 CB CYS A 558 8.233 -3.850 -6.581 1.00 72.32 C ATOM 282 SG CYS A 558 6.980 -3.043 -7.605 1.00 63.01 S ATOM 0 H CYS A 558 8.014 -2.401 -4.589 1.00 44.13 H new ATOM 0 HA CYS A 558 6.715 -4.800 -5.394 1.00 64.23 H new ATOM 0 HB2 CYS A 558 9.042 -3.144 -6.391 1.00 72.32 H new ATOM 0 HB3 CYS A 558 8.661 -4.683 -7.138 1.00 72.32 H new ATOM 0 HG CYS A 558 7.095 -1.753 -7.495 1.00 63.01 H new ATOM 288 N GLY A 559 9.482 -5.086 -3.754 1.00 2.52 N ATOM 289 CA GLY A 559 10.408 -6.040 -3.173 1.00 35.32 C ATOM 290 C GLY A 559 9.932 -6.570 -1.835 1.00 72.33 C ATOM 291 O GLY A 559 10.522 -7.497 -1.280 1.00 45.50 O ATOM 0 H GLY A 559 9.547 -4.141 -3.375 1.00 2.52 H new ATOM 0 HA2 GLY A 559 10.546 -6.873 -3.862 1.00 35.32 H new ATOM 0 HA3 GLY A 559 11.381 -5.566 -3.047 1.00 35.32 H new ATOM 295 N VAL A 560 8.859 -5.981 -1.315 1.00 24.14 N ATOM 296 CA VAL A 560 8.304 -6.399 -0.033 1.00 64.42 C ATOM 297 C VAL A 560 6.969 -7.110 -0.218 1.00 53.02 C ATOM 298 O VAL A 560 6.565 -7.923 0.614 1.00 73.22 O ATOM 299 CB VAL A 560 8.107 -5.198 0.912 1.00 31.41 C ATOM 300 CG1 VAL A 560 7.759 -5.674 2.314 1.00 23.31 C ATOM 301 CG2 VAL A 560 9.353 -4.325 0.929 1.00 14.02 C ATOM 0 H VAL A 560 8.357 -5.213 -1.762 1.00 24.14 H new ATOM 0 HA VAL A 560 9.021 -7.089 0.412 1.00 64.42 H new ATOM 0 HB VAL A 560 7.276 -4.598 0.542 1.00 31.41 H new ATOM 0 HG11 VAL A 560 7.624 -4.812 2.968 1.00 23.31 H new ATOM 0 HG12 VAL A 560 6.837 -6.254 2.283 1.00 23.31 H new ATOM 0 HG13 VAL A 560 8.567 -6.297 2.698 1.00 23.31 H new ATOM 0 HG21 VAL A 560 9.197 -3.481 1.601 1.00 14.02 H new ATOM 0 HG22 VAL A 560 10.204 -4.912 1.275 1.00 14.02 H new ATOM 0 HG23 VAL A 560 9.552 -3.955 -0.077 1.00 14.02 H new ATOM 311 N PHE A 561 6.287 -6.800 -1.316 1.00 13.23 N ATOM 312 CA PHE A 561 4.995 -7.409 -1.612 1.00 20.15 C ATOM 313 C PHE A 561 4.693 -7.345 -3.106 1.00 73.32 C ATOM 314 O PHE A 561 5.260 -6.541 -3.846 1.00 61.31 O ATOM 315 CB PHE A 561 3.885 -6.709 -0.825 1.00 0.22 C ATOM 316 CG PHE A 561 3.773 -7.174 0.598 1.00 33.32 C ATOM 317 CD1 PHE A 561 3.144 -8.371 0.902 1.00 52.43 C ATOM 318 CD2 PHE A 561 4.297 -6.416 1.632 1.00 4.15 C ATOM 319 CE1 PHE A 561 3.038 -8.801 2.211 1.00 64.31 C ATOM 320 CE2 PHE A 561 4.196 -6.841 2.944 1.00 54.02 C ATOM 321 CZ PHE A 561 3.566 -8.036 3.233 1.00 1.20 C ATOM 0 H PHE A 561 6.608 -6.131 -2.016 1.00 13.23 H new ATOM 0 HA PHE A 561 5.038 -8.456 -1.313 1.00 20.15 H new ATOM 0 HB2 PHE A 561 4.067 -5.634 -0.834 1.00 0.22 H new ATOM 0 HB3 PHE A 561 2.933 -6.876 -1.329 1.00 0.22 H new ATOM 0 HD1 PHE A 561 2.732 -8.975 0.107 1.00 52.43 H new ATOM 0 HD2 PHE A 561 4.791 -5.481 1.411 1.00 4.15 H new ATOM 0 HE1 PHE A 561 2.543 -9.734 2.435 1.00 64.31 H new ATOM 0 HE2 PHE A 561 4.609 -6.240 3.741 1.00 54.02 H new ATOM 0 HZ PHE A 561 3.486 -8.372 4.256 1.00 1.20 H new ATOM 331 N PRO A 562 3.778 -8.215 -3.561 1.00 5.00 N ATOM 332 CA PRO A 562 3.380 -8.278 -4.970 1.00 74.45 C ATOM 333 C PRO A 562 2.576 -7.056 -5.401 1.00 64.25 C ATOM 334 O PRO A 562 2.131 -6.255 -4.580 1.00 31.11 O ATOM 335 CB PRO A 562 2.514 -9.538 -5.038 1.00 33.22 C ATOM 336 CG PRO A 562 1.987 -9.710 -3.655 1.00 25.53 C ATOM 337 CD PRO A 562 3.063 -9.202 -2.736 1.00 31.01 C ATOM 0 HA PRO A 562 4.243 -8.300 -5.636 1.00 74.45 H new ATOM 0 HB2 PRO A 562 1.704 -9.424 -5.759 1.00 33.22 H new ATOM 0 HB3 PRO A 562 3.098 -10.404 -5.350 1.00 33.22 H new ATOM 0 HG2 PRO A 562 1.061 -9.152 -3.518 1.00 25.53 H new ATOM 0 HG3 PRO A 562 1.761 -10.757 -3.451 1.00 25.53 H new ATOM 0 HD2 PRO A 562 2.643 -8.747 -1.839 1.00 31.01 H new ATOM 0 HD3 PRO A 562 3.723 -10.005 -2.408 1.00 31.01 H new ATOM 345 N PRO A 563 2.384 -6.908 -6.720 1.00 73.21 N ATOM 346 CA PRO A 563 1.631 -5.786 -7.290 1.00 22.34 C ATOM 347 C PRO A 563 0.141 -5.873 -6.983 1.00 52.44 C ATOM 348 O PRO A 563 -0.483 -4.883 -6.599 1.00 22.14 O ATOM 349 CB PRO A 563 1.877 -5.922 -8.795 1.00 3.13 C ATOM 350 CG PRO A 563 2.174 -7.367 -9.001 1.00 23.24 C ATOM 351 CD PRO A 563 2.885 -7.825 -7.758 1.00 24.22 C ATOM 0 HA PRO A 563 1.950 -4.829 -6.877 1.00 22.34 H new ATOM 0 HB2 PRO A 563 1.004 -5.612 -9.369 1.00 3.13 H new ATOM 0 HB3 PRO A 563 2.709 -5.297 -9.118 1.00 3.13 H new ATOM 0 HG2 PRO A 563 1.257 -7.935 -9.158 1.00 23.24 H new ATOM 0 HG3 PRO A 563 2.796 -7.516 -9.884 1.00 23.24 H new ATOM 0 HD2 PRO A 563 2.653 -8.864 -7.522 1.00 24.22 H new ATOM 0 HD3 PRO A 563 3.967 -7.757 -7.866 1.00 24.22 H new ATOM 359 N HIS A 564 -0.426 -7.063 -7.155 1.00 3.14 N ATOM 360 CA HIS A 564 -1.845 -7.279 -6.895 1.00 5.45 C ATOM 361 C HIS A 564 -2.208 -6.852 -5.476 1.00 33.01 C ATOM 362 O HIS A 564 -3.358 -6.510 -5.194 1.00 44.04 O ATOM 363 CB HIS A 564 -2.206 -8.749 -7.106 1.00 30.43 C ATOM 364 CG HIS A 564 -2.007 -9.595 -5.885 1.00 61.51 C ATOM 365 ND1 HIS A 564 -0.818 -10.229 -5.594 1.00 1.01 N ATOM 366 CD2 HIS A 564 -2.855 -9.910 -4.879 1.00 33.03 C ATOM 367 CE1 HIS A 564 -0.943 -10.897 -4.462 1.00 30.25 C ATOM 368 NE2 HIS A 564 -2.170 -10.720 -4.006 1.00 40.44 N ATOM 0 H HIS A 564 0.075 -7.892 -7.473 1.00 3.14 H new ATOM 0 HA HIS A 564 -2.415 -6.669 -7.596 1.00 5.45 H new ATOM 0 HB2 HIS A 564 -3.248 -8.818 -7.420 1.00 30.43 H new ATOM 0 HB3 HIS A 564 -1.601 -9.150 -7.919 1.00 30.43 H new ATOM 0 HD2 HIS A 564 -3.880 -9.585 -4.780 1.00 33.03 H new ATOM 0 HE1 HIS A 564 -0.173 -11.488 -3.989 1.00 30.25 H new ATOM 0 HE2 HIS A 564 -2.547 -11.119 -3.147 1.00 40.44 H new ATOM 377 N LEU A 565 -1.223 -6.875 -4.586 1.00 31.14 N ATOM 378 CA LEU A 565 -1.439 -6.491 -3.195 1.00 1.42 C ATOM 379 C LEU A 565 -1.365 -4.975 -3.031 1.00 60.41 C ATOM 380 O LEU A 565 -2.333 -4.338 -2.618 1.00 13.23 O ATOM 381 CB LEU A 565 -0.404 -7.163 -2.293 1.00 25.10 C ATOM 382 CG LEU A 565 -0.835 -8.476 -1.639 1.00 31.50 C ATOM 383 CD1 LEU A 565 0.289 -9.043 -0.785 1.00 2.42 C ATOM 384 CD2 LEU A 565 -2.090 -8.269 -0.804 1.00 24.44 C ATOM 0 H LEU A 565 -0.266 -7.155 -4.802 1.00 31.14 H new ATOM 0 HA LEU A 565 -2.436 -6.822 -2.903 1.00 1.42 H new ATOM 0 HB2 LEU A 565 0.494 -7.351 -2.882 1.00 25.10 H new ATOM 0 HB3 LEU A 565 -0.128 -6.462 -1.506 1.00 25.10 H new ATOM 0 HG LEU A 565 -1.061 -9.194 -2.427 1.00 31.50 H new ATOM 0 HD11 LEU A 565 -0.037 -9.977 -0.328 1.00 2.42 H new ATOM 0 HD12 LEU A 565 1.162 -9.230 -1.410 1.00 2.42 H new ATOM 0 HD13 LEU A 565 0.549 -8.328 -0.004 1.00 2.42 H new ATOM 0 HD21 LEU A 565 -2.382 -9.214 -0.346 1.00 24.44 H new ATOM 0 HD22 LEU A 565 -1.891 -7.534 -0.024 1.00 24.44 H new ATOM 0 HD23 LEU A 565 -2.897 -7.911 -1.443 1.00 24.44 H new ATOM 396 N VAL A 566 -0.210 -4.405 -3.359 1.00 21.40 N ATOM 397 CA VAL A 566 -0.011 -2.965 -3.252 1.00 0.11 C ATOM 398 C VAL A 566 -1.073 -2.203 -4.037 1.00 3.14 C ATOM 399 O VAL A 566 -1.698 -1.278 -3.519 1.00 25.43 O ATOM 400 CB VAL A 566 1.383 -2.552 -3.760 1.00 31.11 C ATOM 401 CG1 VAL A 566 1.553 -1.042 -3.684 1.00 43.03 C ATOM 402 CG2 VAL A 566 2.470 -3.259 -2.965 1.00 23.10 C ATOM 0 H VAL A 566 0.602 -4.919 -3.701 1.00 21.40 H new ATOM 0 HA VAL A 566 -0.094 -2.712 -2.195 1.00 0.11 H new ATOM 0 HB VAL A 566 1.474 -2.852 -4.804 1.00 31.11 H new ATOM 0 HG11 VAL A 566 2.544 -0.769 -4.047 1.00 43.03 H new ATOM 0 HG12 VAL A 566 0.795 -0.559 -4.300 1.00 43.03 H new ATOM 0 HG13 VAL A 566 1.442 -0.715 -2.650 1.00 43.03 H new ATOM 0 HG21 VAL A 566 3.449 -2.956 -3.337 1.00 23.10 H new ATOM 0 HG22 VAL A 566 2.383 -2.991 -1.912 1.00 23.10 H new ATOM 0 HG23 VAL A 566 2.358 -4.338 -3.075 1.00 23.10 H new ATOM 412 N GLU A 567 -1.271 -2.599 -5.291 1.00 0.52 N ATOM 413 CA GLU A 567 -2.257 -1.952 -6.148 1.00 12.10 C ATOM 414 C GLU A 567 -3.627 -1.921 -5.475 1.00 25.32 C ATOM 415 O GLU A 567 -4.420 -1.008 -5.700 1.00 34.11 O ATOM 416 CB GLU A 567 -2.353 -2.679 -7.491 1.00 14.31 C ATOM 417 CG GLU A 567 -1.174 -2.414 -8.411 1.00 42.14 C ATOM 418 CD GLU A 567 -1.368 -3.007 -9.793 1.00 75.35 C ATOM 419 OE1 GLU A 567 -0.643 -2.594 -10.723 1.00 63.11 O ATOM 420 OE2 GLU A 567 -2.245 -3.882 -9.946 1.00 33.40 O ATOM 0 H GLU A 567 -0.762 -3.364 -5.735 1.00 0.52 H new ATOM 0 HA GLU A 567 -1.933 -0.926 -6.320 1.00 12.10 H new ATOM 0 HB2 GLU A 567 -2.428 -3.751 -7.310 1.00 14.31 H new ATOM 0 HB3 GLU A 567 -3.271 -2.376 -7.994 1.00 14.31 H new ATOM 0 HG2 GLU A 567 -1.021 -1.338 -8.499 1.00 42.14 H new ATOM 0 HG3 GLU A 567 -0.270 -2.829 -7.965 1.00 42.14 H new ATOM 428 N ALA A 568 -3.896 -2.927 -4.649 1.00 25.04 N ATOM 429 CA ALA A 568 -5.167 -3.015 -3.941 1.00 32.35 C ATOM 430 C ALA A 568 -5.148 -2.173 -2.669 1.00 44.45 C ATOM 431 O ALA A 568 -5.964 -1.266 -2.501 1.00 45.44 O ATOM 432 CB ALA A 568 -5.488 -4.465 -3.611 1.00 23.34 C ATOM 0 H ALA A 568 -3.251 -3.692 -4.454 1.00 25.04 H new ATOM 0 HA ALA A 568 -5.946 -2.621 -4.594 1.00 32.35 H new ATOM 0 HB1 ALA A 568 -6.440 -4.516 -3.082 1.00 23.34 H new ATOM 0 HB2 ALA A 568 -5.554 -5.042 -4.533 1.00 23.34 H new ATOM 0 HB3 ALA A 568 -4.700 -4.878 -2.980 1.00 23.34 H new ATOM 438 N VAL A 569 -4.212 -2.478 -1.777 1.00 20.33 N ATOM 439 CA VAL A 569 -4.087 -1.749 -0.521 1.00 20.34 C ATOM 440 C VAL A 569 -4.005 -0.246 -0.763 1.00 52.11 C ATOM 441 O VAL A 569 -4.633 0.542 -0.057 1.00 4.11 O ATOM 442 CB VAL A 569 -2.842 -2.198 0.268 1.00 64.42 C ATOM 443 CG1 VAL A 569 -2.810 -1.538 1.637 1.00 45.12 C ATOM 444 CG2 VAL A 569 -2.813 -3.714 0.398 1.00 51.44 C ATOM 0 H VAL A 569 -3.529 -3.225 -1.901 1.00 20.33 H new ATOM 0 HA VAL A 569 -4.979 -1.972 0.064 1.00 20.34 H new ATOM 0 HB VAL A 569 -1.954 -1.885 -0.280 1.00 64.42 H new ATOM 0 HG11 VAL A 569 -1.924 -1.867 2.179 1.00 45.12 H new ATOM 0 HG12 VAL A 569 -2.781 -0.455 1.518 1.00 45.12 H new ATOM 0 HG13 VAL A 569 -3.702 -1.818 2.197 1.00 45.12 H new ATOM 0 HG21 VAL A 569 -1.927 -4.014 0.958 1.00 51.44 H new ATOM 0 HG22 VAL A 569 -3.706 -4.051 0.924 1.00 51.44 H new ATOM 0 HG23 VAL A 569 -2.785 -4.164 -0.594 1.00 51.44 H new ATOM 454 N MET A 570 -3.227 0.144 -1.769 1.00 14.34 N ATOM 455 CA MET A 570 -3.066 1.554 -2.106 1.00 3.04 C ATOM 456 C MET A 570 -4.418 2.207 -2.375 1.00 30.41 C ATOM 457 O MET A 570 -4.580 3.414 -2.197 1.00 53.34 O ATOM 458 CB MET A 570 -2.159 1.706 -3.329 1.00 11.41 C ATOM 459 CG MET A 570 -0.679 1.587 -3.006 1.00 62.51 C ATOM 460 SD MET A 570 0.367 2.392 -4.234 1.00 11.40 S ATOM 461 CE MET A 570 1.826 2.745 -3.257 1.00 43.22 C ATOM 0 H MET A 570 -2.700 -0.495 -2.363 1.00 14.34 H new ATOM 0 HA MET A 570 -2.605 2.056 -1.255 1.00 3.04 H new ATOM 0 HB2 MET A 570 -2.424 0.947 -4.064 1.00 11.41 H new ATOM 0 HB3 MET A 570 -2.345 2.676 -3.791 1.00 11.41 H new ATOM 0 HG2 MET A 570 -0.488 2.027 -2.027 1.00 62.51 H new ATOM 0 HG3 MET A 570 -0.409 0.533 -2.939 1.00 62.51 H new ATOM 0 HE1 MET A 570 1.847 3.805 -3.004 1.00 43.22 H new ATOM 0 HE2 MET A 570 1.803 2.154 -2.342 1.00 43.22 H new ATOM 0 HE3 MET A 570 2.718 2.491 -3.830 1.00 43.22 H new ATOM 471 N ARG A 571 -5.384 1.402 -2.807 1.00 3.24 N ATOM 472 CA ARG A 571 -6.721 1.903 -3.102 1.00 24.52 C ATOM 473 C ARG A 571 -7.417 2.376 -1.829 1.00 53.04 C ATOM 474 O ARG A 571 -8.382 3.139 -1.885 1.00 42.43 O ATOM 475 CB ARG A 571 -7.557 0.817 -3.780 1.00 64.10 C ATOM 476 CG ARG A 571 -8.835 1.339 -4.415 1.00 11.31 C ATOM 477 CD ARG A 571 -10.012 1.244 -3.456 1.00 4.43 C ATOM 478 NE ARG A 571 -10.976 2.322 -3.664 1.00 63.51 N ATOM 479 CZ ARG A 571 -11.818 2.367 -4.691 1.00 4.13 C ATOM 480 NH1 ARG A 571 -11.814 1.400 -5.598 1.00 11.44 N ATOM 481 NH2 ARG A 571 -12.665 3.381 -4.811 1.00 42.32 N ATOM 0 H ARG A 571 -5.265 0.401 -2.960 1.00 3.24 H new ATOM 0 HA ARG A 571 -6.623 2.752 -3.779 1.00 24.52 H new ATOM 0 HB2 ARG A 571 -6.953 0.331 -4.546 1.00 64.10 H new ATOM 0 HB3 ARG A 571 -7.812 0.055 -3.044 1.00 64.10 H new ATOM 0 HG2 ARG A 571 -8.694 2.376 -4.719 1.00 11.31 H new ATOM 0 HG3 ARG A 571 -9.053 0.769 -5.318 1.00 11.31 H new ATOM 0 HD2 ARG A 571 -10.509 0.283 -3.586 1.00 4.43 H new ATOM 0 HD3 ARG A 571 -9.647 1.277 -2.430 1.00 4.43 H new ATOM 0 HE ARG A 571 -11.004 3.082 -2.984 1.00 63.51 H new ATOM 0 HH11 ARG A 571 -11.164 0.619 -5.508 1.00 11.44 H new ATOM 0 HH12 ARG A 571 -12.461 1.437 -6.385 1.00 11.44 H new ATOM 0 HH21 ARG A 571 -12.670 4.126 -4.115 1.00 42.32 H new ATOM 0 HH22 ARG A 571 -13.311 3.415 -5.599 1.00 42.32 H new ATOM 495 N ARG A 572 -6.922 1.918 -0.684 1.00 34.10 N ATOM 496 CA ARG A 572 -7.499 2.292 0.602 1.00 44.52 C ATOM 497 C ARG A 572 -6.818 3.539 1.159 1.00 13.32 C ATOM 498 O ARG A 572 -7.452 4.362 1.821 1.00 3.12 O ATOM 499 CB ARG A 572 -7.369 1.139 1.598 1.00 44.23 C ATOM 500 CG ARG A 572 -8.137 1.361 2.890 1.00 15.20 C ATOM 501 CD ARG A 572 -8.055 0.148 3.803 1.00 24.04 C ATOM 502 NE ARG A 572 -8.700 -1.024 3.218 1.00 11.51 N ATOM 503 CZ ARG A 572 -9.114 -2.067 3.928 1.00 4.43 C ATOM 504 NH1 ARG A 572 -8.950 -2.084 5.244 1.00 13.41 N ATOM 505 NH2 ARG A 572 -9.691 -3.096 3.323 1.00 34.44 N ATOM 0 H ARG A 572 -6.123 1.287 -0.620 1.00 34.10 H new ATOM 0 HA ARG A 572 -8.555 2.512 0.449 1.00 44.52 H new ATOM 0 HB2 ARG A 572 -7.724 0.222 1.127 1.00 44.23 H new ATOM 0 HB3 ARG A 572 -6.315 0.990 1.833 1.00 44.23 H new ATOM 0 HG2 ARG A 572 -7.738 2.234 3.406 1.00 15.20 H new ATOM 0 HG3 ARG A 572 -9.181 1.576 2.662 1.00 15.20 H new ATOM 0 HD2 ARG A 572 -7.009 -0.080 4.010 1.00 24.04 H new ATOM 0 HD3 ARG A 572 -8.525 0.381 4.758 1.00 24.04 H new ATOM 0 HE ARG A 572 -8.840 -1.043 2.208 1.00 11.51 H new ATOM 0 HH11 ARG A 572 -8.505 -1.295 5.713 1.00 13.41 H new ATOM 0 HH12 ARG A 572 -9.269 -2.886 5.787 1.00 13.41 H new ATOM 0 HH21 ARG A 572 -9.817 -3.087 2.311 1.00 34.44 H new ATOM 0 HH22 ARG A 572 -10.008 -3.896 3.870 1.00 34.44 H new ATOM 519 N PHE A 573 -5.524 3.672 0.888 1.00 1.14 N ATOM 520 CA PHE A 573 -4.757 4.817 1.364 1.00 14.42 C ATOM 521 C PHE A 573 -4.296 5.686 0.197 1.00 14.53 C ATOM 522 O PHE A 573 -3.125 5.692 -0.181 1.00 64.03 O ATOM 523 CB PHE A 573 -3.547 4.348 2.173 1.00 22.52 C ATOM 524 CG PHE A 573 -3.915 3.599 3.422 1.00 4.52 C ATOM 525 CD1 PHE A 573 -4.379 2.296 3.353 1.00 14.53 C ATOM 526 CD2 PHE A 573 -3.796 4.199 4.665 1.00 21.03 C ATOM 527 CE1 PHE A 573 -4.720 1.605 4.502 1.00 40.52 C ATOM 528 CE2 PHE A 573 -4.134 3.513 5.817 1.00 13.55 C ATOM 529 CZ PHE A 573 -4.596 2.215 5.735 1.00 25.43 C ATOM 0 H PHE A 573 -4.984 3.001 0.341 1.00 1.14 H new ATOM 0 HA PHE A 573 -5.405 5.414 2.006 1.00 14.42 H new ATOM 0 HB2 PHE A 573 -2.926 3.709 1.545 1.00 22.52 H new ATOM 0 HB3 PHE A 573 -2.943 5.214 2.443 1.00 22.52 H new ATOM 0 HD1 PHE A 573 -4.476 1.814 2.391 1.00 14.53 H new ATOM 0 HD2 PHE A 573 -3.435 5.214 4.735 1.00 21.03 H new ATOM 0 HE1 PHE A 573 -5.083 0.590 4.435 1.00 40.52 H new ATOM 0 HE2 PHE A 573 -4.037 3.992 6.780 1.00 13.55 H new ATOM 0 HZ PHE A 573 -4.860 1.677 6.634 1.00 25.43 H new ATOM 539 N PRO A 574 -5.240 6.439 -0.388 1.00 42.34 N ATOM 540 CA PRO A 574 -4.955 7.326 -1.520 1.00 51.20 C ATOM 541 C PRO A 574 -4.108 8.527 -1.117 1.00 42.33 C ATOM 542 O PRO A 574 -3.572 9.234 -1.970 1.00 44.14 O ATOM 543 CB PRO A 574 -6.345 7.779 -1.973 1.00 51.43 C ATOM 544 CG PRO A 574 -7.198 7.656 -0.759 1.00 74.31 C ATOM 545 CD PRO A 574 -6.656 6.483 0.011 1.00 73.11 C ATOM 0 HA PRO A 574 -4.381 6.823 -2.298 1.00 51.20 H new ATOM 0 HB2 PRO A 574 -6.326 8.805 -2.341 1.00 51.43 H new ATOM 0 HB3 PRO A 574 -6.720 7.155 -2.785 1.00 51.43 H new ATOM 0 HG2 PRO A 574 -7.160 8.567 -0.161 1.00 74.31 H new ATOM 0 HG3 PRO A 574 -8.242 7.496 -1.030 1.00 74.31 H new ATOM 0 HD2 PRO A 574 -6.766 6.622 1.086 1.00 73.11 H new ATOM 0 HD3 PRO A 574 -7.175 5.559 -0.246 1.00 73.11 H new ATOM 553 N GLN A 575 -3.992 8.752 0.187 1.00 1.53 N ATOM 554 CA GLN A 575 -3.209 9.870 0.702 1.00 2.34 C ATOM 555 C GLN A 575 -1.974 9.372 1.446 1.00 63.12 C ATOM 556 O GLN A 575 -1.054 10.142 1.729 1.00 73.31 O ATOM 557 CB GLN A 575 -4.064 10.734 1.632 1.00 34.32 C ATOM 558 CG GLN A 575 -4.350 10.083 2.975 1.00 31.23 C ATOM 559 CD GLN A 575 -5.242 10.934 3.858 1.00 60.54 C ATOM 560 OE1 GLN A 575 -4.783 11.532 4.831 1.00 65.03 O ATOM 561 NE2 GLN A 575 -6.526 10.991 3.523 1.00 63.31 N ATOM 0 H GLN A 575 -4.429 8.176 0.906 1.00 1.53 H new ATOM 0 HA GLN A 575 -2.883 10.473 -0.145 1.00 2.34 H new ATOM 0 HB2 GLN A 575 -3.557 11.685 1.799 1.00 34.32 H new ATOM 0 HB3 GLN A 575 -5.009 10.959 1.138 1.00 34.32 H new ATOM 0 HG2 GLN A 575 -4.824 9.115 2.812 1.00 31.23 H new ATOM 0 HG3 GLN A 575 -3.409 9.894 3.491 1.00 31.23 H new ATOM 0 HE21 GLN A 575 -6.864 10.479 2.708 1.00 63.31 H new ATOM 0 HE22 GLN A 575 -7.174 11.547 4.081 1.00 63.31 H new ATOM 570 N LEU A 576 -1.958 8.081 1.759 1.00 5.13 N ATOM 571 CA LEU A 576 -0.835 7.480 2.470 1.00 60.23 C ATOM 572 C LEU A 576 -0.244 6.322 1.674 1.00 65.21 C ATOM 573 O LEU A 576 -0.922 5.330 1.403 1.00 52.14 O ATOM 574 CB LEU A 576 -1.281 6.991 3.849 1.00 70.01 C ATOM 575 CG LEU A 576 -0.639 7.688 5.048 1.00 21.22 C ATOM 576 CD1 LEU A 576 -1.081 7.031 6.347 1.00 44.22 C ATOM 577 CD2 LEU A 576 0.878 7.667 4.928 1.00 1.10 C ATOM 0 H LEU A 576 -2.710 7.430 1.532 1.00 5.13 H new ATOM 0 HA LEU A 576 -0.066 8.242 2.593 1.00 60.23 H new ATOM 0 HB2 LEU A 576 -2.362 7.109 3.922 1.00 70.01 H new ATOM 0 HB3 LEU A 576 -1.071 5.924 3.919 1.00 70.01 H new ATOM 0 HG LEU A 576 -0.969 8.727 5.059 1.00 21.22 H new ATOM 0 HD11 LEU A 576 -0.614 7.541 7.190 1.00 44.22 H new ATOM 0 HD12 LEU A 576 -2.165 7.098 6.438 1.00 44.22 H new ATOM 0 HD13 LEU A 576 -0.781 5.983 6.345 1.00 44.22 H new ATOM 0 HD21 LEU A 576 1.318 8.168 5.790 1.00 1.10 H new ATOM 0 HD22 LEU A 576 1.226 6.635 4.891 1.00 1.10 H new ATOM 0 HD23 LEU A 576 1.178 8.184 4.016 1.00 1.10 H new ATOM 589 N LEU A 577 1.026 6.451 1.303 1.00 14.03 N ATOM 590 CA LEU A 577 1.710 5.414 0.540 1.00 60.01 C ATOM 591 C LEU A 577 3.066 5.089 1.157 1.00 62.32 C ATOM 592 O LEU A 577 4.056 5.776 0.904 1.00 34.00 O ATOM 593 CB LEU A 577 1.892 5.857 -0.912 1.00 53.23 C ATOM 594 CG LEU A 577 0.617 5.942 -1.753 1.00 14.24 C ATOM 595 CD1 LEU A 577 -0.186 4.656 -1.636 1.00 60.22 C ATOM 596 CD2 LEU A 577 -0.224 7.138 -1.328 1.00 24.43 C ATOM 0 H LEU A 577 1.602 7.264 1.519 1.00 14.03 H new ATOM 0 HA LEU A 577 1.095 4.515 0.565 1.00 60.01 H new ATOM 0 HB2 LEU A 577 2.371 6.836 -0.915 1.00 53.23 H new ATOM 0 HB3 LEU A 577 2.579 5.165 -1.399 1.00 53.23 H new ATOM 0 HG LEU A 577 0.902 6.075 -2.797 1.00 14.24 H new ATOM 0 HD11 LEU A 577 -1.089 4.735 -2.241 1.00 60.22 H new ATOM 0 HD12 LEU A 577 0.415 3.818 -1.989 1.00 60.22 H new ATOM 0 HD13 LEU A 577 -0.460 4.492 -0.594 1.00 60.22 H new ATOM 0 HD21 LEU A 577 -1.127 7.183 -1.937 1.00 24.43 H new ATOM 0 HD22 LEU A 577 -0.499 7.035 -0.278 1.00 24.43 H new ATOM 0 HD23 LEU A 577 0.351 8.054 -1.464 1.00 24.43 H new ATOM 608 N ASP A 578 3.105 4.035 1.967 1.00 42.53 N ATOM 609 CA ASP A 578 4.341 3.616 2.617 1.00 12.02 C ATOM 610 C ASP A 578 4.600 2.130 2.387 1.00 14.35 C ATOM 611 O ASP A 578 3.676 1.335 2.215 1.00 63.54 O ATOM 612 CB ASP A 578 4.277 3.909 4.118 1.00 51.23 C ATOM 613 CG ASP A 578 4.944 5.222 4.480 1.00 53.11 C ATOM 614 OD1 ASP A 578 4.869 6.170 3.670 1.00 34.32 O ATOM 615 OD2 ASP A 578 5.542 5.301 5.573 1.00 34.35 O ATOM 0 H ASP A 578 2.295 3.456 2.188 1.00 42.53 H new ATOM 0 HA ASP A 578 5.163 4.181 2.178 1.00 12.02 H new ATOM 0 HB2 ASP A 578 3.235 3.934 4.436 1.00 51.23 H new ATOM 0 HB3 ASP A 578 4.758 3.098 4.665 1.00 51.23 H new ATOM 621 N PRO A 579 5.884 1.747 2.384 1.00 3.32 N ATOM 622 CA PRO A 579 6.295 0.355 2.176 1.00 50.31 C ATOM 623 C PRO A 579 5.929 -0.540 3.355 1.00 52.12 C ATOM 624 O PRO A 579 5.346 -1.608 3.176 1.00 20.40 O ATOM 625 CB PRO A 579 7.815 0.452 2.028 1.00 31.44 C ATOM 626 CG PRO A 579 8.189 1.693 2.763 1.00 43.30 C ATOM 627 CD PRO A 579 7.036 2.643 2.583 1.00 23.23 C ATOM 0 HA PRO A 579 5.798 -0.093 1.316 1.00 50.31 H new ATOM 0 HB2 PRO A 579 8.310 -0.422 2.450 1.00 31.44 H new ATOM 0 HB3 PRO A 579 8.108 0.509 0.980 1.00 31.44 H new ATOM 0 HG2 PRO A 579 8.362 1.484 3.819 1.00 43.30 H new ATOM 0 HG3 PRO A 579 9.111 2.119 2.367 1.00 43.30 H new ATOM 0 HD2 PRO A 579 6.902 3.282 3.456 1.00 23.23 H new ATOM 0 HD3 PRO A 579 7.187 3.300 1.727 1.00 23.23 H new ATOM 635 N GLN A 580 6.275 -0.094 4.559 1.00 34.40 N ATOM 636 CA GLN A 580 5.983 -0.856 5.767 1.00 75.40 C ATOM 637 C GLN A 580 4.537 -0.647 6.206 1.00 3.35 C ATOM 638 O GLN A 580 3.805 -1.608 6.443 1.00 4.54 O ATOM 639 CB GLN A 580 6.935 -0.453 6.893 1.00 12.21 C ATOM 640 CG GLN A 580 8.338 -1.016 6.736 1.00 44.12 C ATOM 641 CD GLN A 580 9.317 0.001 6.182 1.00 22.32 C ATOM 642 OE1 GLN A 580 9.947 -0.225 5.149 1.00 34.31 O ATOM 643 NE2 GLN A 580 9.449 1.131 6.869 1.00 74.52 N ATOM 0 H GLN A 580 6.757 0.790 4.723 1.00 34.40 H new ATOM 0 HA GLN A 580 6.126 -1.913 5.543 1.00 75.40 H new ATOM 0 HB2 GLN A 580 6.992 0.635 6.937 1.00 12.21 H new ATOM 0 HB3 GLN A 580 6.522 -0.789 7.844 1.00 12.21 H new ATOM 0 HG2 GLN A 580 8.695 -1.368 7.704 1.00 44.12 H new ATOM 0 HG3 GLN A 580 8.306 -1.882 6.074 1.00 44.12 H new ATOM 0 HE21 GLN A 580 8.907 1.276 7.721 1.00 74.52 H new ATOM 0 HE22 GLN A 580 10.093 1.853 6.545 1.00 74.52 H new ATOM 652 N GLN A 581 4.135 0.615 6.315 1.00 1.41 N ATOM 653 CA GLN A 581 2.778 0.951 6.728 1.00 75.13 C ATOM 654 C GLN A 581 1.754 0.120 5.960 1.00 2.22 C ATOM 655 O GLN A 581 0.908 -0.547 6.556 1.00 23.34 O ATOM 656 CB GLN A 581 2.509 2.441 6.510 1.00 12.44 C ATOM 657 CG GLN A 581 1.831 3.117 7.692 1.00 24.42 C ATOM 658 CD GLN A 581 1.777 4.625 7.550 1.00 44.04 C ATOM 659 OE1 GLN A 581 0.722 5.237 7.711 1.00 51.13 O ATOM 660 NE2 GLN A 581 2.919 5.232 7.247 1.00 51.31 N ATOM 0 H GLN A 581 4.730 1.421 6.123 1.00 1.41 H new ATOM 0 HA GLN A 581 2.682 0.724 7.790 1.00 75.13 H new ATOM 0 HB2 GLN A 581 3.453 2.946 6.306 1.00 12.44 H new ATOM 0 HB3 GLN A 581 1.884 2.563 5.625 1.00 12.44 H new ATOM 0 HG2 GLN A 581 0.818 2.729 7.795 1.00 24.42 H new ATOM 0 HG3 GLN A 581 2.365 2.861 8.607 1.00 24.42 H new ATOM 0 HE21 GLN A 581 3.770 4.684 7.123 1.00 51.31 H new ATOM 0 HE22 GLN A 581 2.945 6.246 7.139 1.00 51.31 H new ATOM 669 N LEU A 582 1.836 0.167 4.636 1.00 65.44 N ATOM 670 CA LEU A 582 0.917 -0.582 3.785 1.00 14.40 C ATOM 671 C LEU A 582 0.913 -2.061 4.158 1.00 55.24 C ATOM 672 O LEU A 582 -0.130 -2.714 4.131 1.00 61.14 O ATOM 673 CB LEU A 582 1.302 -0.415 2.314 1.00 62.20 C ATOM 674 CG LEU A 582 0.896 0.905 1.659 1.00 44.21 C ATOM 675 CD1 LEU A 582 1.366 0.951 0.213 1.00 61.12 C ATOM 676 CD2 LEU A 582 -0.611 1.098 1.737 1.00 73.14 C ATOM 0 H LEU A 582 2.529 0.716 4.127 1.00 65.44 H new ATOM 0 HA LEU A 582 -0.087 -0.185 3.938 1.00 14.40 H new ATOM 0 HB2 LEU A 582 2.383 -0.523 2.228 1.00 62.20 H new ATOM 0 HB3 LEU A 582 0.854 -1.231 1.747 1.00 62.20 H new ATOM 0 HG LEU A 582 1.376 1.720 2.202 1.00 44.21 H new ATOM 0 HD11 LEU A 582 1.068 1.898 -0.237 1.00 61.12 H new ATOM 0 HD12 LEU A 582 2.452 0.860 0.180 1.00 61.12 H new ATOM 0 HD13 LEU A 582 0.916 0.128 -0.342 1.00 61.12 H new ATOM 0 HD21 LEU A 582 -0.882 2.043 1.266 1.00 73.14 H new ATOM 0 HD22 LEU A 582 -1.110 0.278 1.220 1.00 73.14 H new ATOM 0 HD23 LEU A 582 -0.923 1.111 2.781 1.00 73.14 H new ATOM 688 N ALA A 583 2.084 -2.581 4.507 1.00 62.20 N ATOM 689 CA ALA A 583 2.213 -3.982 4.889 1.00 5.21 C ATOM 690 C ALA A 583 1.224 -4.345 5.991 1.00 52.33 C ATOM 691 O ALA A 583 0.502 -5.336 5.887 1.00 21.12 O ATOM 692 CB ALA A 583 3.637 -4.277 5.339 1.00 2.33 C ATOM 0 H ALA A 583 2.957 -2.054 4.533 1.00 62.20 H new ATOM 0 HA ALA A 583 1.984 -4.593 4.016 1.00 5.21 H new ATOM 0 HB1 ALA A 583 3.719 -5.327 5.621 1.00 2.33 H new ATOM 0 HB2 ALA A 583 4.328 -4.066 4.523 1.00 2.33 H new ATOM 0 HB3 ALA A 583 3.885 -3.650 6.196 1.00 2.33 H new ATOM 698 N ALA A 584 1.195 -3.535 7.044 1.00 4.14 N ATOM 699 CA ALA A 584 0.291 -3.771 8.164 1.00 64.04 C ATOM 700 C ALA A 584 -1.143 -3.954 7.682 1.00 1.05 C ATOM 701 O ALA A 584 -1.920 -4.692 8.286 1.00 33.13 O ATOM 702 CB ALA A 584 0.374 -2.622 9.159 1.00 21.12 C ATOM 0 H ALA A 584 1.786 -2.710 7.145 1.00 4.14 H new ATOM 0 HA ALA A 584 0.599 -4.691 8.661 1.00 64.04 H new ATOM 0 HB1 ALA A 584 -0.306 -2.811 9.990 1.00 21.12 H new ATOM 0 HB2 ALA A 584 1.394 -2.540 9.536 1.00 21.12 H new ATOM 0 HB3 ALA A 584 0.094 -1.692 8.665 1.00 21.12 H new ATOM 708 N GLU A 585 -1.488 -3.275 6.592 1.00 34.45 N ATOM 709 CA GLU A 585 -2.832 -3.364 6.032 1.00 44.31 C ATOM 710 C GLU A 585 -3.016 -4.669 5.263 1.00 22.34 C ATOM 711 O GLU A 585 -4.105 -5.243 5.248 1.00 20.43 O ATOM 712 CB GLU A 585 -3.102 -2.174 5.110 1.00 54.33 C ATOM 713 CG GLU A 585 -2.664 -0.841 5.691 1.00 2.41 C ATOM 714 CD GLU A 585 -3.466 -0.446 6.916 1.00 52.51 C ATOM 715 OE1 GLU A 585 -2.855 0.026 7.897 1.00 4.43 O ATOM 716 OE2 GLU A 585 -4.704 -0.608 6.893 1.00 22.52 O ATOM 0 H GLU A 585 -0.857 -2.658 6.080 1.00 34.45 H new ATOM 0 HA GLU A 585 -3.544 -3.346 6.857 1.00 44.31 H new ATOM 0 HB2 GLU A 585 -2.586 -2.335 4.163 1.00 54.33 H new ATOM 0 HB3 GLU A 585 -4.169 -2.131 4.889 1.00 54.33 H new ATOM 0 HG2 GLU A 585 -1.608 -0.893 5.954 1.00 2.41 H new ATOM 0 HG3 GLU A 585 -2.765 -0.067 4.930 1.00 2.41 H new ATOM 724 N ILE A 586 -1.946 -5.130 4.627 1.00 63.01 N ATOM 725 CA ILE A 586 -1.989 -6.367 3.857 1.00 1.01 C ATOM 726 C ILE A 586 -2.192 -7.574 4.767 1.00 41.43 C ATOM 727 O ILE A 586 -3.073 -8.401 4.531 1.00 24.55 O ATOM 728 CB ILE A 586 -0.699 -6.567 3.038 1.00 13.32 C ATOM 729 CG1 ILE A 586 -0.487 -5.389 2.086 1.00 13.52 C ATOM 730 CG2 ILE A 586 -0.760 -7.876 2.265 1.00 2.32 C ATOM 731 CD1 ILE A 586 0.937 -5.259 1.593 1.00 62.34 C ATOM 0 H ILE A 586 -1.038 -4.666 4.629 1.00 63.01 H new ATOM 0 HA ILE A 586 -2.834 -6.283 3.173 1.00 1.01 H new ATOM 0 HB ILE A 586 0.147 -6.612 3.724 1.00 13.32 H new ATOM 0 HG12 ILE A 586 -1.151 -5.501 1.229 1.00 13.52 H new ATOM 0 HG13 ILE A 586 -0.773 -4.467 2.592 1.00 13.52 H new ATOM 0 HG21 ILE A 586 0.158 -8.003 1.691 1.00 2.32 H new ATOM 0 HG22 ILE A 586 -0.870 -8.706 2.963 1.00 2.32 H new ATOM 0 HG23 ILE A 586 -1.612 -7.858 1.586 1.00 2.32 H new ATOM 0 HD11 ILE A 586 1.013 -4.403 0.923 1.00 62.34 H new ATOM 0 HD12 ILE A 586 1.604 -5.115 2.443 1.00 62.34 H new ATOM 0 HD13 ILE A 586 1.221 -6.165 1.058 1.00 62.34 H new ATOM 743 N LEU A 587 -1.371 -7.668 5.807 1.00 14.32 N ATOM 744 CA LEU A 587 -1.461 -8.773 6.755 1.00 51.31 C ATOM 745 C LEU A 587 -2.884 -8.921 7.285 1.00 60.30 C ATOM 746 O LEU A 587 -3.372 -10.035 7.480 1.00 4.13 O ATOM 747 CB LEU A 587 -0.492 -8.553 7.919 1.00 64.15 C ATOM 748 CG LEU A 587 0.956 -8.982 7.675 1.00 73.12 C ATOM 749 CD1 LEU A 587 1.909 -8.137 8.506 1.00 22.43 C ATOM 750 CD2 LEU A 587 1.135 -10.460 7.992 1.00 41.44 C ATOM 0 H LEU A 587 -0.636 -6.993 6.015 1.00 14.32 H new ATOM 0 HA LEU A 587 -1.190 -9.690 6.233 1.00 51.31 H new ATOM 0 HB2 LEU A 587 -0.498 -7.494 8.176 1.00 64.15 H new ATOM 0 HB3 LEU A 587 -0.869 -9.094 8.787 1.00 64.15 H new ATOM 0 HG LEU A 587 1.189 -8.827 6.622 1.00 73.12 H new ATOM 0 HD11 LEU A 587 2.935 -8.456 8.320 1.00 22.43 H new ATOM 0 HD12 LEU A 587 1.800 -7.088 8.231 1.00 22.43 H new ATOM 0 HD13 LEU A 587 1.677 -8.261 9.564 1.00 22.43 H new ATOM 0 HD21 LEU A 587 2.171 -10.748 7.813 1.00 41.44 H new ATOM 0 HD22 LEU A 587 0.884 -10.641 9.037 1.00 41.44 H new ATOM 0 HD23 LEU A 587 0.479 -11.051 7.353 1.00 41.44 H new ATOM 762 N SER A 588 -3.545 -7.791 7.515 1.00 60.40 N ATOM 763 CA SER A 588 -4.912 -7.795 8.023 1.00 22.35 C ATOM 764 C SER A 588 -5.909 -8.064 6.900 1.00 24.44 C ATOM 765 O SER A 588 -6.944 -8.696 7.112 1.00 21.34 O ATOM 766 CB SER A 588 -5.232 -6.459 8.696 1.00 30.14 C ATOM 767 OG SER A 588 -6.309 -6.592 9.608 1.00 22.04 O ATOM 0 H SER A 588 -3.156 -6.861 7.358 1.00 60.40 H new ATOM 0 HA SER A 588 -4.997 -8.594 8.759 1.00 22.35 H new ATOM 0 HB2 SER A 588 -4.350 -6.092 9.221 1.00 30.14 H new ATOM 0 HB3 SER A 588 -5.483 -5.717 7.938 1.00 30.14 H new ATOM 0 HG SER A 588 -6.493 -5.725 10.026 1.00 22.04 H new ATOM 773 N TYR A 589 -5.590 -7.580 5.706 1.00 4.44 N ATOM 774 CA TYR A 589 -6.457 -7.765 4.550 1.00 55.43 C ATOM 775 C TYR A 589 -6.550 -9.238 4.168 1.00 32.45 C ATOM 776 O TYR A 589 -7.616 -9.730 3.795 1.00 32.23 O ATOM 777 CB TYR A 589 -5.939 -6.951 3.362 1.00 60.20 C ATOM 778 CG TYR A 589 -6.667 -7.238 2.067 1.00 2.25 C ATOM 779 CD1 TYR A 589 -8.051 -7.139 1.990 1.00 52.14 C ATOM 780 CD2 TYR A 589 -5.971 -7.606 0.924 1.00 71.24 C ATOM 781 CE1 TYR A 589 -8.720 -7.401 0.809 1.00 4.24 C ATOM 782 CE2 TYR A 589 -6.631 -7.869 -0.262 1.00 13.43 C ATOM 783 CZ TYR A 589 -8.005 -7.765 -0.313 1.00 73.31 C ATOM 784 OH TYR A 589 -8.668 -8.026 -1.490 1.00 52.12 O ATOM 0 H TYR A 589 -4.736 -7.056 5.513 1.00 4.44 H new ATOM 0 HA TYR A 589 -7.454 -7.414 4.817 1.00 55.43 H new ATOM 0 HB2 TYR A 589 -6.030 -5.890 3.592 1.00 60.20 H new ATOM 0 HB3 TYR A 589 -4.878 -7.158 3.226 1.00 60.20 H new ATOM 0 HD1 TYR A 589 -8.613 -6.853 2.867 1.00 52.14 H new ATOM 0 HD2 TYR A 589 -4.895 -7.688 0.962 1.00 71.24 H new ATOM 0 HE1 TYR A 589 -9.796 -7.321 0.765 1.00 4.24 H new ATOM 0 HE2 TYR A 589 -6.074 -8.154 -1.142 1.00 13.43 H new ATOM 0 HH TYR A 589 -8.020 -8.268 -2.184 1.00 52.12 H new ATOM 794 N LYS A 590 -5.426 -9.941 4.265 1.00 1.43 N ATOM 795 CA LYS A 590 -5.378 -11.359 3.934 1.00 61.24 C ATOM 796 C LYS A 590 -6.034 -12.196 5.027 1.00 64.11 C ATOM 797 O LYS A 590 -6.913 -13.013 4.754 1.00 0.11 O ATOM 798 CB LYS A 590 -3.929 -11.808 3.732 1.00 40.03 C ATOM 799 CG LYS A 590 -3.204 -11.048 2.635 1.00 22.20 C ATOM 800 CD LYS A 590 -3.638 -11.512 1.255 1.00 73.12 C ATOM 801 CE LYS A 590 -2.792 -12.679 0.767 1.00 20.11 C ATOM 802 NZ LYS A 590 -3.512 -13.501 -0.245 1.00 5.04 N ATOM 0 H LYS A 590 -4.535 -9.550 4.571 1.00 1.43 H new ATOM 0 HA LYS A 590 -5.931 -11.509 3.006 1.00 61.24 H new ATOM 0 HB2 LYS A 590 -3.385 -11.684 4.669 1.00 40.03 H new ATOM 0 HB3 LYS A 590 -3.917 -12.872 3.495 1.00 40.03 H new ATOM 0 HG2 LYS A 590 -3.400 -9.981 2.740 1.00 22.20 H new ATOM 0 HG3 LYS A 590 -2.128 -11.186 2.745 1.00 22.20 H new ATOM 0 HD2 LYS A 590 -4.687 -11.808 1.283 1.00 73.12 H new ATOM 0 HD3 LYS A 590 -3.559 -10.684 0.550 1.00 73.12 H new ATOM 0 HE2 LYS A 590 -1.866 -12.300 0.335 1.00 20.11 H new ATOM 0 HE3 LYS A 590 -2.515 -13.306 1.614 1.00 20.11 H new ATOM 0 HZ1 LYS A 590 -2.902 -14.286 -0.552 1.00 5.04 H new ATOM 0 HZ2 LYS A 590 -4.383 -13.883 0.175 1.00 5.04 H new ATOM 0 HZ3 LYS A 590 -3.754 -12.909 -1.065 1.00 5.04 H new ATOM 816 N SER A 591 -5.599 -11.987 6.266 1.00 52.41 N ATOM 817 CA SER A 591 -6.143 -12.724 7.401 1.00 54.31 C ATOM 818 C SER A 591 -7.660 -12.576 7.468 1.00 33.32 C ATOM 819 O SER A 591 -8.364 -13.492 7.892 1.00 31.35 O ATOM 820 CB SER A 591 -5.513 -12.232 8.705 1.00 43.01 C ATOM 821 OG SER A 591 -6.093 -12.874 9.827 1.00 53.21 O ATOM 0 H SER A 591 -4.872 -11.314 6.509 1.00 52.41 H new ATOM 0 HA SER A 591 -5.904 -13.779 7.266 1.00 54.31 H new ATOM 0 HB2 SER A 591 -4.440 -12.422 8.688 1.00 43.01 H new ATOM 0 HB3 SER A 591 -5.644 -11.153 8.791 1.00 43.01 H new ATOM 0 HG SER A 591 -5.672 -12.543 10.647 1.00 53.21 H new ATOM 827 N GLN A 592 -8.155 -11.417 7.048 1.00 71.01 N ATOM 828 CA GLN A 592 -9.588 -11.148 7.061 1.00 32.51 C ATOM 829 C GLN A 592 -10.326 -12.089 6.115 1.00 75.20 C ATOM 830 O GLN A 592 -11.510 -12.373 6.305 1.00 60.22 O ATOM 831 CB GLN A 592 -9.860 -9.695 6.669 1.00 43.01 C ATOM 832 CG GLN A 592 -9.913 -8.744 7.854 1.00 74.41 C ATOM 833 CD GLN A 592 -10.370 -7.352 7.466 1.00 63.32 C ATOM 834 OE1 GLN A 592 -9.672 -6.367 7.709 1.00 13.44 O ATOM 835 NE2 GLN A 592 -11.547 -7.263 6.858 1.00 60.14 N ATOM 0 H GLN A 592 -7.585 -10.649 6.694 1.00 71.01 H new ATOM 0 HA GLN A 592 -9.955 -11.318 8.073 1.00 32.51 H new ATOM 0 HB2 GLN A 592 -9.083 -9.362 5.981 1.00 43.01 H new ATOM 0 HB3 GLN A 592 -10.806 -9.644 6.130 1.00 43.01 H new ATOM 0 HG2 GLN A 592 -10.589 -9.147 8.608 1.00 74.41 H new ATOM 0 HG3 GLN A 592 -8.925 -8.684 8.311 1.00 74.41 H new ATOM 0 HE21 GLN A 592 -12.092 -8.106 6.676 1.00 60.14 H new ATOM 0 HE22 GLN A 592 -11.906 -6.352 6.572 1.00 60.14 H new ATOM 844 N HIS A 593 -9.622 -12.570 5.097 1.00 63.34 N ATOM 845 CA HIS A 593 -10.211 -13.480 4.120 1.00 31.32 C ATOM 846 C HIS A 593 -9.657 -14.891 4.289 1.00 20.23 C ATOM 847 O HIS A 593 -9.421 -15.599 3.309 1.00 14.03 O ATOM 848 CB HIS A 593 -9.943 -12.981 2.700 1.00 33.11 C ATOM 849 CG HIS A 593 -10.796 -11.815 2.304 1.00 30.21 C ATOM 850 ND1 HIS A 593 -11.265 -11.627 1.021 1.00 20.10 N ATOM 851 CD2 HIS A 593 -11.265 -10.775 3.031 1.00 43.55 C ATOM 852 CE1 HIS A 593 -11.984 -10.520 0.976 1.00 53.10 C ATOM 853 NE2 HIS A 593 -12.001 -9.983 2.183 1.00 62.42 N ATOM 0 H HIS A 593 -8.642 -12.345 4.926 1.00 63.34 H new ATOM 0 HA HIS A 593 -11.287 -13.508 4.290 1.00 31.32 H new ATOM 0 HB2 HIS A 593 -8.894 -12.699 2.615 1.00 33.11 H new ATOM 0 HB3 HIS A 593 -10.111 -13.798 1.999 1.00 33.11 H new ATOM 0 HD2 HIS A 593 -11.093 -10.600 4.083 1.00 43.55 H new ATOM 0 HE1 HIS A 593 -12.475 -10.121 0.101 1.00 53.10 H new ATOM 0 HE2 HIS A 593 -12.482 -9.122 2.443 1.00 62.42 H new ATOM 862 N LEU A 594 -9.451 -15.295 5.539 1.00 75.23 N ATOM 863 CA LEU A 594 -8.924 -16.623 5.837 1.00 52.35 C ATOM 864 C LEU A 594 -10.030 -17.549 6.332 1.00 41.35 C ATOM 865 O LEU A 594 -10.875 -17.150 7.133 1.00 71.31 O ATOM 866 CB LEU A 594 -7.814 -16.528 6.885 1.00 64.15 C ATOM 867 CG LEU A 594 -6.737 -17.611 6.820 1.00 23.22 C ATOM 868 CD1 LEU A 594 -5.932 -17.489 5.535 1.00 22.21 C ATOM 869 CD2 LEU A 594 -5.822 -17.526 8.033 1.00 21.35 C ATOM 0 H LEU A 594 -9.641 -14.722 6.361 1.00 75.23 H new ATOM 0 HA LEU A 594 -8.512 -17.039 4.918 1.00 52.35 H new ATOM 0 HB2 LEU A 594 -7.330 -15.556 6.786 1.00 64.15 H new ATOM 0 HB3 LEU A 594 -8.272 -16.557 7.874 1.00 64.15 H new ATOM 0 HG LEU A 594 -7.228 -18.584 6.826 1.00 23.22 H new ATOM 0 HD11 LEU A 594 -5.171 -18.268 5.507 1.00 22.21 H new ATOM 0 HD12 LEU A 594 -6.596 -17.600 4.678 1.00 22.21 H new ATOM 0 HD13 LEU A 594 -5.452 -16.511 5.498 1.00 22.21 H new ATOM 0 HD21 LEU A 594 -5.061 -18.304 7.970 1.00 21.35 H new ATOM 0 HD22 LEU A 594 -5.340 -16.549 8.057 1.00 21.35 H new ATOM 0 HD23 LEU A 594 -6.408 -17.664 8.941 1.00 21.35 H new ATOM 881 N SER A 595 -10.016 -18.788 5.852 1.00 42.55 N ATOM 882 CA SER A 595 -11.019 -19.771 6.244 1.00 45.22 C ATOM 883 C SER A 595 -10.364 -20.982 6.902 1.00 63.04 C ATOM 884 O SER A 595 -10.708 -22.125 6.604 1.00 1.30 O ATOM 885 CB SER A 595 -11.832 -20.216 5.027 1.00 2.40 C ATOM 886 OG SER A 595 -10.988 -20.713 4.003 1.00 44.22 O ATOM 0 H SER A 595 -9.321 -19.135 5.191 1.00 42.55 H new ATOM 0 HA SER A 595 -11.687 -19.303 6.967 1.00 45.22 H new ATOM 0 HB2 SER A 595 -12.543 -20.988 5.323 1.00 2.40 H new ATOM 0 HB3 SER A 595 -12.413 -19.376 4.647 1.00 2.40 H new ATOM 0 HG SER A 595 -11.532 -20.992 3.237 1.00 44.22 H new ATOM 892 N GLU A 596 -9.416 -20.721 7.798 1.00 41.12 N ATOM 893 CA GLU A 596 -8.712 -21.789 8.497 1.00 32.10 C ATOM 894 C GLU A 596 -8.039 -22.736 7.508 1.00 32.11 C ATOM 895 O GLU A 596 -8.595 -23.773 7.150 1.00 33.12 O ATOM 896 CB GLU A 596 -9.680 -22.569 9.389 1.00 61.44 C ATOM 897 CG GLU A 596 -10.534 -21.683 10.281 1.00 72.43 C ATOM 898 CD GLU A 596 -11.371 -22.480 11.264 1.00 61.12 C ATOM 899 OE1 GLU A 596 -11.411 -23.722 11.139 1.00 43.04 O ATOM 900 OE2 GLU A 596 -11.984 -21.861 12.158 1.00 15.00 O ATOM 0 H GLU A 596 -9.119 -19.780 8.056 1.00 41.12 H new ATOM 0 HA GLU A 596 -7.941 -21.334 9.119 1.00 32.10 H new ATOM 0 HB2 GLU A 596 -10.333 -23.174 8.760 1.00 61.44 H new ATOM 0 HB3 GLU A 596 -9.111 -23.258 10.013 1.00 61.44 H new ATOM 0 HG2 GLU A 596 -9.889 -20.997 10.831 1.00 72.43 H new ATOM 0 HG3 GLU A 596 -11.191 -21.074 9.660 1.00 72.43 H new TER 908 GLU A 596