USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 827 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 NoAdj-H: A 53 HIS HD1 : A 53 HIS ND1 : A 109 ZNZN :(H bumps) USER MOD Set 1.1: A 9 TYR OH : rot -22:sc= 0.37 USER MOD Set 1.2: A 62 HIS : no HD1:sc= 0.242 K(o=0.61,f=-0.18) USER MOD Set 2.1: A 55 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 59 LYS NZ :NH3+ 174:sc= 1.41 (180deg=1.31) USER MOD Set 3.1: A 20 SER OG : rot 180:sc= 0.474 USER MOD Set 3.2: A 27 SER OG : rot 74:sc= 0.518 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 0.902 (180deg=0.534) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -139:sc= 0.0124 USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= 1.97 (180deg=1.61) USER MOD Single : A 13 TYR OH : rot -18:sc= 1.77 USER MOD Single : A 15 LYS NZ :NH3+ -172:sc= 2.71 (180deg=2.5) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 167:sc= 1.12 (180deg=0.849) USER MOD Single : A 32 SER OG : rot -81:sc= 1.26 USER MOD Single : A 35 MET CE :methyl -174:sc= 0 (180deg=-0.0639) USER MOD Single : A 38 MET CE :methyl 159:sc= -0.97 (180deg=-2.06!) USER MOD Single : A 40 GLN : amide:sc=-0.00471 X(o=-0.0047,f=-0.0047) USER MOD Single : A 41 SER OG : rot 170:sc= 0.85 USER MOD Single : A 43 MET CE :methyl -146:sc=-0.00579 (180deg=-0.112) USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= 1.88 (180deg=1.84) USER MOD Single : A 50 HIS : no HD1:sc= -0.0545 X(o=-0.055,f=-0.5) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.0468 F(o=-0.71,f=-0.047) USER MOD Single : A 75 SER OG : rot 180:sc= 0.00916 USER MOD Single : A 82 GLN : amide:sc= 1.04 K(o=1,f=-0.36) USER MOD Single : A 83 GLN : amide:sc= 0.696 K(o=0.7,f=-0.97) USER MOD Single : A 84 LYS NZ :NH3+ -141:sc= 1.25 (180deg=0.161) USER MOD Single : A 86 LYS NZ :NH3+ 166:sc= 1.26 (180deg=1.05) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 92:sc= 1.22 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.0559 X(o=-0.056,f=-0.056) USER MOD Single : A 104 SER OG : rot -140:sc= 0.496 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 162:sc= 1.14 (180deg=0.897) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.436 5.844 17.393 1.00 0.00 N ATOM 2 CA MET A 1 9.974 5.638 17.205 1.00 0.00 C ATOM 3 C MET A 1 9.697 4.234 16.660 1.00 0.00 C ATOM 4 O MET A 1 10.547 3.649 15.986 1.00 0.00 O ATOM 5 CB MET A 1 9.338 6.705 16.286 1.00 0.00 C ATOM 6 CG MET A 1 9.214 8.094 16.931 1.00 0.00 C ATOM 7 SD MET A 1 10.767 8.996 17.211 1.00 0.00 S ATOM 8 CE MET A 1 10.103 10.530 17.916 1.00 0.00 C ATOM 0 H1 MET A 1 11.650 6.861 17.362 1.00 0.00 H new ATOM 0 H2 MET A 1 11.726 5.457 18.314 1.00 0.00 H new ATOM 0 H3 MET A 1 11.955 5.358 16.634 1.00 0.00 H new ATOM 0 HA MET A 1 9.510 5.743 18.186 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.935 6.790 15.378 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.347 6.366 15.985 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.571 8.708 16.300 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.706 7.982 17.889 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.924 11.208 18.150 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.436 11.003 17.195 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.549 10.302 18.827 1.00 0.00 H new ATOM 20 N ALA A 2 8.509 3.688 16.943 1.00 0.00 N ATOM 21 CA ALA A 2 8.051 2.368 16.492 1.00 0.00 C ATOM 22 C ALA A 2 6.532 2.353 16.204 1.00 0.00 C ATOM 23 O ALA A 2 5.796 3.240 16.644 1.00 0.00 O ATOM 24 CB ALA A 2 8.429 1.331 17.560 1.00 0.00 C ATOM 0 H ALA A 2 7.814 4.170 17.513 1.00 0.00 H new ATOM 0 HA ALA A 2 8.541 2.121 15.550 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.096 0.343 17.242 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.511 1.324 17.694 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.949 1.589 18.504 1.00 0.00 H new ATOM 30 N GLU A 3 6.060 1.332 15.483 1.00 0.00 N ATOM 31 CA GLU A 3 4.646 1.128 15.124 1.00 0.00 C ATOM 32 C GLU A 3 4.195 -0.326 15.357 1.00 0.00 C ATOM 33 O GLU A 3 4.981 -1.269 15.217 1.00 0.00 O ATOM 34 CB GLU A 3 4.395 1.514 13.655 1.00 0.00 C ATOM 35 CG GLU A 3 4.619 3.004 13.360 1.00 0.00 C ATOM 36 CD GLU A 3 4.158 3.346 11.933 1.00 0.00 C ATOM 37 OE1 GLU A 3 2.931 3.415 11.688 1.00 0.00 O ATOM 38 OE2 GLU A 3 5.000 3.525 11.022 1.00 0.00 O ATOM 0 H GLU A 3 6.668 0.598 15.119 1.00 0.00 H new ATOM 0 HA GLU A 3 4.059 1.775 15.776 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.052 0.924 13.016 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.371 1.250 13.389 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.070 3.610 14.081 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.675 3.249 13.476 1.00 0.00 H new ATOM 45 N SER A 4 2.914 -0.506 15.690 1.00 0.00 N ATOM 46 CA SER A 4 2.269 -1.817 15.873 1.00 0.00 C ATOM 47 C SER A 4 1.894 -2.475 14.536 1.00 0.00 C ATOM 48 O SER A 4 1.604 -1.783 13.556 1.00 0.00 O ATOM 49 CB SER A 4 1.021 -1.668 16.751 1.00 0.00 C ATOM 50 OG SER A 4 1.376 -1.178 18.038 1.00 0.00 O ATOM 0 H SER A 4 2.276 0.275 15.845 1.00 0.00 H new ATOM 0 HA SER A 4 2.991 -2.469 16.364 1.00 0.00 H new ATOM 0 HB2 SER A 4 0.315 -0.986 16.277 1.00 0.00 H new ATOM 0 HB3 SER A 4 0.519 -2.631 16.847 1.00 0.00 H new ATOM 0 HG SER A 4 0.569 -1.086 18.587 1.00 0.00 H new ATOM 56 N SER A 5 1.841 -3.809 14.508 1.00 0.00 N ATOM 57 CA SER A 5 1.614 -4.626 13.297 1.00 0.00 C ATOM 58 C SER A 5 0.350 -5.478 13.374 1.00 0.00 C ATOM 59 O SER A 5 0.291 -6.610 12.889 1.00 0.00 O ATOM 60 CB SER A 5 2.855 -5.460 12.950 1.00 0.00 C ATOM 61 OG SER A 5 4.030 -4.671 12.887 1.00 0.00 O ATOM 0 H SER A 5 1.957 -4.374 15.349 1.00 0.00 H new ATOM 0 HA SER A 5 1.444 -3.927 12.478 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.985 -6.243 13.697 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.701 -5.956 11.992 1.00 0.00 H new ATOM 0 HG SER A 5 4.577 -4.958 12.126 1.00 0.00 H new ATOM 67 N ASP A 6 -0.690 -4.918 13.985 1.00 0.00 N ATOM 68 CA ASP A 6 -1.980 -5.559 14.244 1.00 0.00 C ATOM 69 C ASP A 6 -2.988 -5.476 13.074 1.00 0.00 C ATOM 70 O ASP A 6 -4.157 -5.840 13.224 1.00 0.00 O ATOM 71 CB ASP A 6 -2.547 -5.006 15.563 1.00 0.00 C ATOM 72 CG ASP A 6 -2.872 -3.502 15.485 1.00 0.00 C ATOM 73 OD1 ASP A 6 -1.928 -2.698 15.298 1.00 0.00 O ATOM 74 OD2 ASP A 6 -4.060 -3.126 15.626 1.00 0.00 O ATOM 0 H ASP A 6 -0.657 -3.959 14.330 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.805 -6.631 14.340 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.451 -5.556 15.824 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.827 -5.177 16.363 1.00 0.00 H new ATOM 79 N LYS A 7 -2.537 -5.012 11.900 1.00 0.00 N ATOM 80 CA LYS A 7 -3.300 -4.865 10.658 1.00 0.00 C ATOM 81 C LYS A 7 -2.974 -6.025 9.724 1.00 0.00 C ATOM 82 O LYS A 7 -2.260 -6.961 10.092 1.00 0.00 O ATOM 83 CB LYS A 7 -3.045 -3.465 10.056 1.00 0.00 C ATOM 84 CG LYS A 7 -3.098 -2.337 11.109 1.00 0.00 C ATOM 85 CD LYS A 7 -1.679 -1.900 11.504 1.00 0.00 C ATOM 86 CE LYS A 7 -1.702 -0.768 12.536 1.00 0.00 C ATOM 87 NZ LYS A 7 -0.398 -0.061 12.598 1.00 0.00 N ATOM 0 H LYS A 7 -1.569 -4.711 11.788 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.373 -4.918 10.842 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.069 -3.456 9.571 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.787 -3.268 9.282 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.649 -1.485 10.710 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.638 -2.681 11.991 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.136 -2.753 11.911 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.139 -1.572 10.616 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.490 -0.059 12.282 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.944 -1.175 13.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.522 0.855 13.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.285 -0.638 13.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.042 0.095 11.634 1.00 0.00 H new ATOM 101 N LEU A 8 -3.475 -5.931 8.502 1.00 0.00 N ATOM 102 CA LEU A 8 -3.090 -6.786 7.384 1.00 0.00 C ATOM 103 C LEU A 8 -2.511 -5.982 6.212 1.00 0.00 C ATOM 104 O LEU A 8 -1.708 -6.533 5.460 1.00 0.00 O ATOM 105 CB LEU A 8 -4.259 -7.707 6.991 1.00 0.00 C ATOM 106 CG LEU A 8 -5.591 -7.029 6.607 1.00 0.00 C ATOM 107 CD1 LEU A 8 -6.425 -8.029 5.809 1.00 0.00 C ATOM 108 CD2 LEU A 8 -6.449 -6.606 7.806 1.00 0.00 C ATOM 0 H LEU A 8 -4.181 -5.239 8.251 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.273 -7.433 7.704 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.937 -8.321 6.150 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.452 -8.383 7.824 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.325 -6.131 6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.372 -7.570 5.527 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.882 -8.321 4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.617 -8.911 6.419 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.367 -6.138 7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.697 -7.483 8.403 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.894 -5.896 8.418 1.00 0.00 H new ATOM 120 N TYR A 9 -2.828 -4.685 6.104 1.00 0.00 N ATOM 121 CA TYR A 9 -2.444 -3.829 4.980 1.00 0.00 C ATOM 122 C TYR A 9 -1.933 -2.469 5.472 1.00 0.00 C ATOM 123 O TYR A 9 -2.277 -2.002 6.561 1.00 0.00 O ATOM 124 CB TYR A 9 -3.626 -3.632 4.011 1.00 0.00 C ATOM 125 CG TYR A 9 -4.303 -4.878 3.459 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.539 -5.976 3.026 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.705 -4.925 3.339 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.160 -7.129 2.512 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.336 -6.073 2.825 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.566 -7.185 2.414 1.00 0.00 C ATOM 131 OH TYR A 9 -6.175 -8.309 1.945 1.00 0.00 O ATOM 0 H TYR A 9 -3.371 -4.193 6.813 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.635 -4.328 4.446 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.383 -3.037 4.522 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.272 -3.040 3.167 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.462 -5.934 3.089 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.299 -4.076 3.643 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.561 -7.969 2.193 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.413 -6.105 2.744 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.541 -8.822 1.401 1.00 0.00 H new ATOM 141 N ARG A 10 -1.122 -1.819 4.640 1.00 0.00 N ATOM 142 CA ARG A 10 -0.471 -0.526 4.883 1.00 0.00 C ATOM 143 C ARG A 10 -0.436 0.279 3.582 1.00 0.00 C ATOM 144 O ARG A 10 -0.281 -0.309 2.516 1.00 0.00 O ATOM 145 CB ARG A 10 0.929 -0.811 5.464 1.00 0.00 C ATOM 146 CG ARG A 10 1.941 0.348 5.546 1.00 0.00 C ATOM 147 CD ARG A 10 1.485 1.470 6.494 1.00 0.00 C ATOM 148 NE ARG A 10 2.603 2.311 6.960 1.00 0.00 N ATOM 149 CZ ARG A 10 2.935 2.620 8.202 1.00 0.00 C ATOM 150 NH1 ARG A 10 2.296 2.233 9.265 1.00 0.00 N ATOM 151 NH2 ARG A 10 3.973 3.368 8.399 1.00 0.00 N ATOM 0 H ARG A 10 -0.886 -2.200 3.724 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.020 0.082 5.603 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.796 -1.207 6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.380 -1.604 4.867 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.903 -0.038 5.884 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.095 0.761 4.549 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.753 2.096 5.984 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.983 1.030 7.356 1.00 0.00 H new ATOM 0 HE ARG A 10 3.197 2.705 6.230 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.468 1.644 9.176 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.622 2.519 10.188 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.516 3.706 7.605 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.248 3.619 9.349 1.00 0.00 H new ATOM 165 N VAL A 11 -0.573 1.600 3.654 1.00 0.00 N ATOM 166 CA VAL A 11 -0.370 2.558 2.557 1.00 0.00 C ATOM 167 C VAL A 11 0.242 3.853 3.088 1.00 0.00 C ATOM 168 O VAL A 11 -0.103 4.288 4.183 1.00 0.00 O ATOM 169 CB VAL A 11 -1.693 2.823 1.813 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.658 3.763 2.547 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.458 3.454 0.436 1.00 0.00 C ATOM 0 H VAL A 11 -0.843 2.061 4.523 1.00 0.00 H new ATOM 0 HA VAL A 11 0.329 2.126 1.841 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.139 1.831 1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.562 3.893 1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.919 3.334 3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.180 4.731 2.697 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.416 3.624 -0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.938 4.404 0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.853 2.783 -0.173 1.00 0.00 H new ATOM 181 N GLU A 12 1.151 4.475 2.341 1.00 0.00 N ATOM 182 CA GLU A 12 1.731 5.773 2.703 1.00 0.00 C ATOM 183 C GLU A 12 2.433 6.479 1.541 1.00 0.00 C ATOM 184 O GLU A 12 2.840 5.861 0.553 1.00 0.00 O ATOM 185 CB GLU A 12 2.724 5.620 3.874 1.00 0.00 C ATOM 186 CG GLU A 12 3.908 4.689 3.586 1.00 0.00 C ATOM 187 CD GLU A 12 4.879 4.688 4.768 1.00 0.00 C ATOM 188 OE1 GLU A 12 4.567 4.071 5.809 1.00 0.00 O ATOM 189 OE2 GLU A 12 5.953 5.326 4.657 1.00 0.00 O ATOM 0 H GLU A 12 1.509 4.095 1.465 1.00 0.00 H new ATOM 0 HA GLU A 12 0.887 6.397 2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.109 6.605 4.139 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.185 5.244 4.744 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.548 3.677 3.401 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.424 5.014 2.682 1.00 0.00 H new ATOM 196 N TYR A 13 2.649 7.783 1.718 1.00 0.00 N ATOM 197 CA TYR A 13 3.674 8.528 0.996 1.00 0.00 C ATOM 198 C TYR A 13 5.061 8.174 1.550 1.00 0.00 C ATOM 199 O TYR A 13 5.279 8.203 2.766 1.00 0.00 O ATOM 200 CB TYR A 13 3.386 10.031 1.104 1.00 0.00 C ATOM 201 CG TYR A 13 2.046 10.512 0.562 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.375 9.821 -0.471 1.00 0.00 C ATOM 203 CD2 TYR A 13 1.495 11.705 1.070 1.00 0.00 C ATOM 204 CE1 TYR A 13 0.206 10.360 -1.040 1.00 0.00 C ATOM 205 CE2 TYR A 13 0.309 12.231 0.523 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.321 11.573 -0.554 1.00 0.00 C ATOM 207 OH TYR A 13 -1.432 12.115 -1.113 1.00 0.00 O ATOM 0 H TYR A 13 2.112 8.353 2.372 1.00 0.00 H new ATOM 0 HA TYR A 13 3.659 8.257 -0.060 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.450 10.315 2.154 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.177 10.567 0.580 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.760 8.876 -0.825 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.985 12.219 1.884 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.288 9.843 -1.850 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.118 13.137 0.927 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.578 11.722 -1.999 1.00 0.00 H new ATOM 217 N ALA A 14 5.994 7.818 0.669 1.00 0.00 N ATOM 218 CA ALA A 14 7.292 7.260 1.030 1.00 0.00 C ATOM 219 C ALA A 14 8.223 8.288 1.701 1.00 0.00 C ATOM 220 O ALA A 14 8.643 9.262 1.070 1.00 0.00 O ATOM 221 CB ALA A 14 7.915 6.653 -0.235 1.00 0.00 C ATOM 0 H ALA A 14 5.864 7.912 -0.338 1.00 0.00 H new ATOM 0 HA ALA A 14 7.150 6.485 1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.889 6.228 0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.263 5.870 -0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.036 7.430 -0.990 1.00 0.00 H new ATOM 227 N LYS A 15 8.581 8.042 2.970 1.00 0.00 N ATOM 228 CA LYS A 15 9.427 8.937 3.791 1.00 0.00 C ATOM 229 C LYS A 15 10.862 9.035 3.264 1.00 0.00 C ATOM 230 O LYS A 15 11.460 10.110 3.244 1.00 0.00 O ATOM 231 CB LYS A 15 9.454 8.457 5.259 1.00 0.00 C ATOM 232 CG LYS A 15 8.079 8.156 5.874 1.00 0.00 C ATOM 233 CD LYS A 15 7.091 9.325 5.745 1.00 0.00 C ATOM 234 CE LYS A 15 5.730 8.971 6.343 1.00 0.00 C ATOM 235 NZ LYS A 15 5.043 7.904 5.578 1.00 0.00 N ATOM 0 H LYS A 15 8.288 7.202 3.468 1.00 0.00 H new ATOM 0 HA LYS A 15 8.981 9.930 3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.066 7.557 5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.946 9.218 5.864 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.656 7.276 5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.205 7.910 6.928 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.495 10.203 6.250 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.971 9.588 4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.862 8.648 7.376 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.102 9.862 6.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.073 7.791 5.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.014 8.163 4.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.560 7.009 5.690 1.00 0.00 H new ATOM 249 N SER A 16 11.397 7.891 2.837 1.00 0.00 N ATOM 250 CA SER A 16 12.715 7.705 2.225 1.00 0.00 C ATOM 251 C SER A 16 12.745 6.386 1.437 1.00 0.00 C ATOM 252 O SER A 16 11.915 5.497 1.665 1.00 0.00 O ATOM 253 CB SER A 16 13.798 7.715 3.311 1.00 0.00 C ATOM 254 OG SER A 16 15.085 7.703 2.717 1.00 0.00 O ATOM 0 H SER A 16 10.888 7.010 2.914 1.00 0.00 H new ATOM 0 HA SER A 16 12.912 8.524 1.533 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.687 8.600 3.938 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.681 6.847 3.960 1.00 0.00 H new ATOM 0 HG SER A 16 15.769 7.711 3.419 1.00 0.00 H new ATOM 260 N GLY A 17 13.710 6.241 0.526 1.00 0.00 N ATOM 261 CA GLY A 17 13.895 5.084 -0.361 1.00 0.00 C ATOM 262 C GLY A 17 14.493 3.836 0.309 1.00 0.00 C ATOM 263 O GLY A 17 15.338 3.159 -0.279 1.00 0.00 O ATOM 0 H GLY A 17 14.419 6.960 0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.930 4.818 -0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.542 5.379 -1.187 1.00 0.00 H new ATOM 267 N ARG A 18 14.100 3.550 1.559 1.00 0.00 N ATOM 268 CA ARG A 18 14.579 2.407 2.365 1.00 0.00 C ATOM 269 C ARG A 18 13.776 1.116 2.146 1.00 0.00 C ATOM 270 O ARG A 18 14.262 0.034 2.478 1.00 0.00 O ATOM 271 CB ARG A 18 14.603 2.797 3.857 1.00 0.00 C ATOM 272 CG ARG A 18 15.482 4.018 4.192 1.00 0.00 C ATOM 273 CD ARG A 18 16.938 3.910 3.714 1.00 0.00 C ATOM 274 NE ARG A 18 17.623 2.733 4.292 1.00 0.00 N ATOM 275 CZ ARG A 18 18.431 1.885 3.676 1.00 0.00 C ATOM 276 NH1 ARG A 18 18.748 2.008 2.418 1.00 0.00 N ATOM 277 NH2 ARG A 18 18.943 0.880 4.326 1.00 0.00 N ATOM 0 H ARG A 18 13.419 4.123 2.056 1.00 0.00 H new ATOM 0 HA ARG A 18 15.590 2.181 2.025 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.583 3.002 4.181 1.00 0.00 H new ATOM 0 HB3 ARG A 18 14.956 1.943 4.436 1.00 0.00 H new ATOM 0 HG2 ARG A 18 15.032 4.906 3.747 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.478 4.166 5.272 1.00 0.00 H new ATOM 0 HD2 ARG A 18 16.959 3.844 2.626 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.478 4.816 3.989 1.00 0.00 H new ATOM 0 HE ARG A 18 17.452 2.554 5.282 1.00 0.00 H new ATOM 0 HH11 ARG A 18 18.369 2.780 1.870 1.00 0.00 H new ATOM 0 HH12 ARG A 18 19.375 1.332 1.982 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.722 0.745 5.312 1.00 0.00 H new ATOM 0 HH22 ARG A 18 19.565 0.228 3.849 1.00 0.00 H new ATOM 291 N ALA A 19 12.572 1.221 1.580 1.00 0.00 N ATOM 292 CA ALA A 19 11.722 0.089 1.206 1.00 0.00 C ATOM 293 C ALA A 19 11.965 -0.351 -0.251 1.00 0.00 C ATOM 294 O ALA A 19 12.207 0.482 -1.128 1.00 0.00 O ATOM 295 CB ALA A 19 10.259 0.472 1.447 1.00 0.00 C ATOM 0 H ALA A 19 12.149 2.123 1.363 1.00 0.00 H new ATOM 0 HA ALA A 19 11.975 -0.771 1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.614 -0.363 1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.114 0.711 2.501 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.006 1.341 0.840 1.00 0.00 H new ATOM 301 N SER A 20 11.833 -1.653 -0.518 1.00 0.00 N ATOM 302 CA SER A 20 11.980 -2.241 -1.857 1.00 0.00 C ATOM 303 C SER A 20 10.814 -3.168 -2.188 1.00 0.00 C ATOM 304 O SER A 20 10.226 -3.786 -1.297 1.00 0.00 O ATOM 305 CB SER A 20 13.320 -2.970 -2.006 1.00 0.00 C ATOM 306 OG SER A 20 14.389 -2.037 -1.969 1.00 0.00 O ATOM 0 H SER A 20 11.617 -2.343 0.202 1.00 0.00 H new ATOM 0 HA SER A 20 11.968 -1.420 -2.574 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.437 -3.700 -1.205 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.340 -3.521 -2.946 1.00 0.00 H new ATOM 0 HG SER A 20 15.241 -2.512 -2.063 1.00 0.00 H new ATOM 312 N CYS A 21 10.470 -3.236 -3.474 1.00 0.00 N ATOM 313 CA CYS A 21 9.251 -3.864 -3.964 1.00 0.00 C ATOM 314 C CYS A 21 9.402 -5.390 -4.042 1.00 0.00 C ATOM 315 O CYS A 21 10.254 -5.918 -4.766 1.00 0.00 O ATOM 316 CB CYS A 21 8.931 -3.228 -5.313 1.00 0.00 C ATOM 317 SG CYS A 21 7.310 -3.783 -5.944 1.00 0.00 S ATOM 0 H CYS A 21 11.047 -2.846 -4.219 1.00 0.00 H new ATOM 0 HA CYS A 21 8.420 -3.697 -3.279 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.932 -2.142 -5.215 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.710 -3.484 -6.031 1.00 0.00 H new ATOM 322 N LYS A 22 8.559 -6.112 -3.299 1.00 0.00 N ATOM 323 CA LYS A 22 8.597 -7.586 -3.217 1.00 0.00 C ATOM 324 C LYS A 22 8.035 -8.282 -4.464 1.00 0.00 C ATOM 325 O LYS A 22 8.223 -9.491 -4.619 1.00 0.00 O ATOM 326 CB LYS A 22 7.830 -8.051 -1.966 1.00 0.00 C ATOM 327 CG LYS A 22 8.275 -7.398 -0.649 1.00 0.00 C ATOM 328 CD LYS A 22 9.689 -7.776 -0.190 1.00 0.00 C ATOM 329 CE LYS A 22 9.797 -9.267 0.161 1.00 0.00 C ATOM 330 NZ LYS A 22 11.152 -9.613 0.669 1.00 0.00 N ATOM 0 H LYS A 22 7.823 -5.693 -2.731 1.00 0.00 H new ATOM 0 HA LYS A 22 9.647 -7.872 -3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.769 -7.849 -2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.939 -9.132 -1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.222 -6.315 -0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.568 -7.673 0.134 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.403 -7.536 -0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.961 -7.178 0.680 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.050 -9.519 0.914 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.575 -9.866 -0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.189 -10.627 0.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.862 -9.395 -0.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.354 -9.059 1.526 1.00 0.00 H new ATOM 344 N LYS A 23 7.332 -7.541 -5.334 1.00 0.00 N ATOM 345 CA LYS A 23 6.575 -8.084 -6.478 1.00 0.00 C ATOM 346 C LYS A 23 7.283 -7.902 -7.827 1.00 0.00 C ATOM 347 O LYS A 23 7.405 -8.883 -8.561 1.00 0.00 O ATOM 348 CB LYS A 23 5.148 -7.504 -6.461 1.00 0.00 C ATOM 349 CG LYS A 23 4.227 -7.998 -7.590 1.00 0.00 C ATOM 350 CD LYS A 23 4.055 -9.527 -7.620 1.00 0.00 C ATOM 351 CE LYS A 23 3.090 -9.914 -8.744 1.00 0.00 C ATOM 352 NZ LYS A 23 2.925 -11.388 -8.854 1.00 0.00 N ATOM 0 H LYS A 23 7.271 -6.525 -5.262 1.00 0.00 H new ATOM 0 HA LYS A 23 6.515 -9.166 -6.362 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.686 -7.747 -5.504 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.214 -6.417 -6.517 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.248 -7.533 -7.478 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.630 -7.667 -8.547 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.021 -10.009 -7.774 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.673 -9.879 -6.662 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.119 -9.453 -8.563 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.459 -9.519 -9.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.264 -11.607 -9.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.847 -11.827 -9.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.549 -11.763 -7.960 1.00 0.00 H new ATOM 366 N CYS A 24 7.767 -6.694 -8.139 1.00 0.00 N ATOM 367 CA CYS A 24 8.517 -6.411 -9.376 1.00 0.00 C ATOM 368 C CYS A 24 10.055 -6.340 -9.187 1.00 0.00 C ATOM 369 O CYS A 24 10.802 -6.186 -10.160 1.00 0.00 O ATOM 370 CB CYS A 24 7.882 -5.225 -10.128 1.00 0.00 C ATOM 371 SG CYS A 24 8.339 -3.587 -9.446 1.00 0.00 S ATOM 0 H CYS A 24 7.650 -5.878 -7.539 1.00 0.00 H new ATOM 0 HA CYS A 24 8.419 -7.276 -10.032 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.181 -5.269 -11.175 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.797 -5.329 -10.102 1.00 0.00 H new ATOM 376 N SER A 25 10.533 -6.541 -7.951 1.00 0.00 N ATOM 377 CA SER A 25 11.953 -6.637 -7.560 1.00 0.00 C ATOM 378 C SER A 25 12.800 -5.377 -7.826 1.00 0.00 C ATOM 379 O SER A 25 14.029 -5.448 -7.906 1.00 0.00 O ATOM 380 CB SER A 25 12.605 -7.918 -8.108 1.00 0.00 C ATOM 381 OG SER A 25 11.866 -9.073 -7.724 1.00 0.00 O ATOM 0 H SER A 25 9.909 -6.647 -7.152 1.00 0.00 H new ATOM 0 HA SER A 25 11.938 -6.705 -6.472 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.663 -7.864 -9.195 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.627 -7.997 -7.738 1.00 0.00 H new ATOM 0 HG SER A 25 12.300 -9.874 -8.086 1.00 0.00 H new ATOM 387 N GLU A 26 12.158 -4.212 -7.934 1.00 0.00 N ATOM 388 CA GLU A 26 12.802 -2.888 -7.942 1.00 0.00 C ATOM 389 C GLU A 26 12.791 -2.262 -6.530 1.00 0.00 C ATOM 390 O GLU A 26 12.335 -2.880 -5.567 1.00 0.00 O ATOM 391 CB GLU A 26 12.122 -1.985 -8.990 1.00 0.00 C ATOM 392 CG GLU A 26 12.295 -2.517 -10.422 1.00 0.00 C ATOM 393 CD GLU A 26 11.852 -1.512 -11.509 1.00 0.00 C ATOM 394 OE1 GLU A 26 10.994 -0.632 -11.253 1.00 0.00 O ATOM 395 OE2 GLU A 26 12.371 -1.603 -12.650 1.00 0.00 O ATOM 0 H GLU A 26 11.143 -4.158 -8.021 1.00 0.00 H new ATOM 0 HA GLU A 26 13.849 -2.997 -8.225 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.059 -1.904 -8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.539 -0.980 -8.926 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.342 -2.775 -10.582 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.720 -3.436 -10.532 1.00 0.00 H new ATOM 402 N SER A 27 13.289 -1.033 -6.378 1.00 0.00 N ATOM 403 CA SER A 27 13.275 -0.289 -5.108 1.00 0.00 C ATOM 404 C SER A 27 12.352 0.921 -5.168 1.00 0.00 C ATOM 405 O SER A 27 12.187 1.546 -6.218 1.00 0.00 O ATOM 406 CB SER A 27 14.678 0.118 -4.700 1.00 0.00 C ATOM 407 OG SER A 27 14.708 0.561 -3.359 1.00 0.00 O ATOM 0 H SER A 27 13.721 -0.515 -7.143 1.00 0.00 H new ATOM 0 HA SER A 27 12.879 -0.960 -4.346 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.356 -0.727 -4.823 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.036 0.911 -5.357 1.00 0.00 H new ATOM 0 HG SER A 27 14.625 -0.209 -2.758 1.00 0.00 H new ATOM 413 N ILE A 28 11.716 1.245 -4.049 1.00 0.00 N ATOM 414 CA ILE A 28 10.596 2.190 -4.017 1.00 0.00 C ATOM 415 C ILE A 28 11.128 3.615 -3.761 1.00 0.00 C ATOM 416 O ILE A 28 11.786 3.833 -2.739 1.00 0.00 O ATOM 417 CB ILE A 28 9.528 1.747 -2.990 1.00 0.00 C ATOM 418 CG1 ILE A 28 9.048 0.295 -3.254 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.324 2.704 -3.023 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.170 -0.288 -2.140 1.00 0.00 C ATOM 0 H ILE A 28 11.959 0.862 -3.135 1.00 0.00 H new ATOM 0 HA ILE A 28 10.095 2.199 -4.985 1.00 0.00 H new ATOM 0 HB ILE A 28 9.991 1.778 -2.004 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.490 0.273 -4.190 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.920 -0.346 -3.387 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.581 2.379 -2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.655 3.713 -2.778 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.882 2.699 -4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.877 -1.305 -2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.730 -0.301 -1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.278 0.327 -2.020 1.00 0.00 H new ATOM 432 N PRO A 29 10.885 4.592 -4.657 1.00 0.00 N ATOM 433 CA PRO A 29 11.418 5.947 -4.516 1.00 0.00 C ATOM 434 C PRO A 29 10.722 6.753 -3.406 1.00 0.00 C ATOM 435 O PRO A 29 9.557 6.526 -3.070 1.00 0.00 O ATOM 436 CB PRO A 29 11.259 6.592 -5.897 1.00 0.00 C ATOM 437 CG PRO A 29 10.035 5.885 -6.475 1.00 0.00 C ATOM 438 CD PRO A 29 10.143 4.472 -5.906 1.00 0.00 C ATOM 0 HA PRO A 29 12.462 5.926 -4.203 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.104 7.668 -5.823 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.142 6.439 -6.517 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.108 6.371 -6.170 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.050 5.882 -7.565 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.155 4.046 -5.732 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.658 3.810 -6.603 1.00 0.00 H new ATOM 446 N LYS A 30 11.443 7.735 -2.862 1.00 0.00 N ATOM 447 CA LYS A 30 10.962 8.736 -1.897 1.00 0.00 C ATOM 448 C LYS A 30 9.887 9.636 -2.526 1.00 0.00 C ATOM 449 O LYS A 30 9.919 9.907 -3.726 1.00 0.00 O ATOM 450 CB LYS A 30 12.189 9.531 -1.415 1.00 0.00 C ATOM 451 CG LYS A 30 11.885 10.600 -0.355 1.00 0.00 C ATOM 452 CD LYS A 30 13.194 11.232 0.135 1.00 0.00 C ATOM 453 CE LYS A 30 12.924 12.379 1.113 1.00 0.00 C ATOM 454 NZ LYS A 30 14.197 12.972 1.592 1.00 0.00 N ATOM 0 H LYS A 30 12.428 7.864 -3.092 1.00 0.00 H new ATOM 0 HA LYS A 30 10.481 8.258 -1.044 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.920 8.833 -1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.653 10.013 -2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.235 11.367 -0.775 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.350 10.153 0.483 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.807 10.473 0.621 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.763 11.604 -0.717 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.321 13.145 0.625 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.347 12.012 1.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.001 13.874 2.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.656 12.318 2.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.828 13.140 0.782 1.00 0.00 H new ATOM 468 N ASP A 31 8.946 10.111 -1.707 1.00 0.00 N ATOM 469 CA ASP A 31 7.811 10.955 -2.119 1.00 0.00 C ATOM 470 C ASP A 31 6.962 10.342 -3.261 1.00 0.00 C ATOM 471 O ASP A 31 6.507 11.031 -4.177 1.00 0.00 O ATOM 472 CB ASP A 31 8.289 12.401 -2.360 1.00 0.00 C ATOM 473 CG ASP A 31 7.133 13.413 -2.478 1.00 0.00 C ATOM 474 OD1 ASP A 31 6.186 13.358 -1.656 1.00 0.00 O ATOM 475 OD2 ASP A 31 7.197 14.306 -3.358 1.00 0.00 O ATOM 0 H ASP A 31 8.949 9.915 -0.706 1.00 0.00 H new ATOM 0 HA ASP A 31 7.097 10.996 -1.296 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.943 12.701 -1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.885 12.432 -3.272 1.00 0.00 H new ATOM 480 N SER A 32 6.751 9.022 -3.199 1.00 0.00 N ATOM 481 CA SER A 32 5.835 8.247 -4.047 1.00 0.00 C ATOM 482 C SER A 32 4.814 7.505 -3.176 1.00 0.00 C ATOM 483 O SER A 32 4.972 7.441 -1.954 1.00 0.00 O ATOM 484 CB SER A 32 6.615 7.277 -4.946 1.00 0.00 C ATOM 485 OG SER A 32 7.099 6.157 -4.226 1.00 0.00 O ATOM 0 H SER A 32 7.239 8.435 -2.522 1.00 0.00 H new ATOM 0 HA SER A 32 5.293 8.932 -4.699 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.970 6.936 -5.756 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.453 7.802 -5.405 1.00 0.00 H new ATOM 0 HG SER A 32 7.923 6.402 -3.755 1.00 0.00 H new ATOM 491 N LEU A 33 3.760 6.952 -3.777 1.00 0.00 N ATOM 492 CA LEU A 33 2.746 6.181 -3.057 1.00 0.00 C ATOM 493 C LEU A 33 3.141 4.697 -3.030 1.00 0.00 C ATOM 494 O LEU A 33 3.395 4.087 -4.075 1.00 0.00 O ATOM 495 CB LEU A 33 1.367 6.426 -3.696 1.00 0.00 C ATOM 496 CG LEU A 33 0.201 5.775 -2.931 1.00 0.00 C ATOM 497 CD1 LEU A 33 -0.059 6.428 -1.575 1.00 0.00 C ATOM 498 CD2 LEU A 33 -1.087 5.898 -3.741 1.00 0.00 C ATOM 0 H LEU A 33 3.585 7.026 -4.779 1.00 0.00 H new ATOM 0 HA LEU A 33 2.683 6.508 -2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.192 7.500 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.377 6.044 -4.717 1.00 0.00 H new ATOM 0 HG LEU A 33 0.487 4.735 -2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.892 5.926 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.833 6.344 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.303 7.480 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.907 5.435 -3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.312 6.951 -3.909 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.963 5.396 -4.700 1.00 0.00 H new ATOM 510 N ARG A 34 3.164 4.112 -1.830 1.00 0.00 N ATOM 511 CA ARG A 34 3.556 2.723 -1.573 1.00 0.00 C ATOM 512 C ARG A 34 2.578 2.045 -0.626 1.00 0.00 C ATOM 513 O ARG A 34 1.932 2.703 0.186 1.00 0.00 O ATOM 514 CB ARG A 34 5.014 2.659 -1.082 1.00 0.00 C ATOM 515 CG ARG A 34 5.297 3.286 0.298 1.00 0.00 C ATOM 516 CD ARG A 34 6.781 3.116 0.663 1.00 0.00 C ATOM 517 NE ARG A 34 7.109 3.734 1.966 1.00 0.00 N ATOM 518 CZ ARG A 34 8.300 4.109 2.400 1.00 0.00 C ATOM 519 NH1 ARG A 34 9.378 3.989 1.677 1.00 0.00 N ATOM 520 NH2 ARG A 34 8.412 4.662 3.570 1.00 0.00 N ATOM 0 H ARG A 34 2.901 4.610 -0.980 1.00 0.00 H new ATOM 0 HA ARG A 34 3.512 2.162 -2.507 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.320 1.613 -1.052 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.646 3.155 -1.819 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.037 4.344 0.285 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.672 2.813 1.056 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.027 2.055 0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.399 3.564 -0.116 1.00 0.00 H new ATOM 0 HE ARG A 34 6.327 3.888 2.602 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.321 3.593 0.739 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.278 4.291 2.050 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.584 4.805 4.148 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.328 4.954 3.911 1.00 0.00 H new ATOM 534 N MET A 35 2.485 0.727 -0.736 1.00 0.00 N ATOM 535 CA MET A 35 1.658 -0.145 0.095 1.00 0.00 C ATOM 536 C MET A 35 2.509 -1.235 0.743 1.00 0.00 C ATOM 537 O MET A 35 3.627 -1.497 0.309 1.00 0.00 O ATOM 538 CB MET A 35 0.490 -0.726 -0.722 1.00 0.00 C ATOM 539 CG MET A 35 -0.586 0.331 -0.988 1.00 0.00 C ATOM 540 SD MET A 35 -2.088 -0.223 -1.842 1.00 0.00 S ATOM 541 CE MET A 35 -3.012 -0.941 -0.453 1.00 0.00 C ATOM 0 H MET A 35 3.009 0.209 -1.441 1.00 0.00 H new ATOM 0 HA MET A 35 1.223 0.445 0.901 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.864 -1.113 -1.670 1.00 0.00 H new ATOM 0 HB3 MET A 35 0.051 -1.567 -0.185 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.880 0.764 -0.032 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.137 1.131 -1.576 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.915 -1.423 -0.827 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.391 -1.679 0.055 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.285 -0.153 0.248 1.00 0.00 H new ATOM 551 N ALA A 36 2.007 -1.843 1.810 1.00 0.00 N ATOM 552 CA ALA A 36 2.676 -2.938 2.507 1.00 0.00 C ATOM 553 C ALA A 36 1.671 -3.973 3.032 1.00 0.00 C ATOM 554 O ALA A 36 0.474 -3.690 3.141 1.00 0.00 O ATOM 555 CB ALA A 36 3.593 -2.380 3.609 1.00 0.00 C ATOM 0 H ALA A 36 1.110 -1.587 2.223 1.00 0.00 H new ATOM 0 HA ALA A 36 3.307 -3.473 1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.087 -3.204 4.123 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.344 -1.728 3.162 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.998 -1.811 4.324 1.00 0.00 H new ATOM 561 N ILE A 37 2.162 -5.164 3.380 1.00 0.00 N ATOM 562 CA ILE A 37 1.365 -6.260 3.938 1.00 0.00 C ATOM 563 C ILE A 37 1.982 -6.758 5.235 1.00 0.00 C ATOM 564 O ILE A 37 3.198 -6.899 5.325 1.00 0.00 O ATOM 565 CB ILE A 37 1.197 -7.367 2.874 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.174 -7.161 2.208 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.328 -8.796 3.415 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.344 -7.898 0.880 1.00 0.00 C ATOM 0 H ILE A 37 3.149 -5.400 3.279 1.00 0.00 H new ATOM 0 HA ILE A 37 0.366 -5.908 4.195 1.00 0.00 H new ATOM 0 HB ILE A 37 2.015 -7.272 2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.952 -7.491 2.896 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.327 -6.095 2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.196 -9.507 2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.316 -8.929 3.856 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.565 -8.969 4.174 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.338 -7.699 0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.409 -7.552 0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.225 -8.970 1.041 1.00 0.00 H new ATOM 580 N MET A 38 1.146 -7.048 6.228 1.00 0.00 N ATOM 581 CA MET A 38 1.589 -7.524 7.538 1.00 0.00 C ATOM 582 C MET A 38 1.604 -9.057 7.562 1.00 0.00 C ATOM 583 O MET A 38 0.555 -9.687 7.700 1.00 0.00 O ATOM 584 CB MET A 38 0.690 -6.932 8.643 1.00 0.00 C ATOM 585 CG MET A 38 0.487 -5.405 8.616 1.00 0.00 C ATOM 586 SD MET A 38 1.665 -4.404 9.562 1.00 0.00 S ATOM 587 CE MET A 38 3.216 -4.909 8.787 1.00 0.00 C ATOM 0 H MET A 38 0.133 -6.959 6.147 1.00 0.00 H new ATOM 0 HA MET A 38 2.608 -7.186 7.728 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.289 -7.408 8.579 1.00 0.00 H new ATOM 0 HB3 MET A 38 1.114 -7.203 9.610 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.521 -5.077 7.577 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.515 -5.189 8.986 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.978 -4.151 8.969 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.541 -5.859 9.210 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.066 -5.022 7.713 1.00 0.00 H new ATOM 597 N VAL A 39 2.793 -9.662 7.456 1.00 0.00 N ATOM 598 CA VAL A 39 2.982 -11.125 7.566 1.00 0.00 C ATOM 599 C VAL A 39 3.699 -11.507 8.856 1.00 0.00 C ATOM 600 O VAL A 39 4.599 -10.811 9.318 1.00 0.00 O ATOM 601 CB VAL A 39 3.657 -11.723 6.317 1.00 0.00 C ATOM 602 CG1 VAL A 39 5.062 -11.175 6.075 1.00 0.00 C ATOM 603 CG2 VAL A 39 3.728 -13.255 6.349 1.00 0.00 C ATOM 0 H VAL A 39 3.661 -9.152 7.290 1.00 0.00 H new ATOM 0 HA VAL A 39 1.989 -11.571 7.616 1.00 0.00 H new ATOM 0 HB VAL A 39 3.012 -11.415 5.494 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.483 -11.635 5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.013 -10.095 5.938 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.694 -11.403 6.933 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.214 -13.616 5.442 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.301 -13.575 7.219 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.720 -13.665 6.408 1.00 0.00 H new ATOM 613 N GLN A 40 3.284 -12.619 9.454 1.00 0.00 N ATOM 614 CA GLN A 40 3.847 -13.169 10.688 1.00 0.00 C ATOM 615 C GLN A 40 5.295 -13.650 10.486 1.00 0.00 C ATOM 616 O GLN A 40 5.589 -14.419 9.571 1.00 0.00 O ATOM 617 CB GLN A 40 2.895 -14.243 11.259 1.00 0.00 C ATOM 618 CG GLN A 40 2.183 -15.172 10.248 1.00 0.00 C ATOM 619 CD GLN A 40 3.085 -16.214 9.584 1.00 0.00 C ATOM 620 OE1 GLN A 40 3.278 -16.226 8.375 1.00 0.00 O ATOM 621 NE2 GLN A 40 3.632 -17.153 10.330 1.00 0.00 N ATOM 0 H GLN A 40 2.520 -13.184 9.082 1.00 0.00 H new ATOM 0 HA GLN A 40 3.922 -12.383 11.440 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.465 -14.867 11.947 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.130 -13.737 11.848 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.372 -15.689 10.761 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.728 -14.558 9.470 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.480 -17.156 11.339 1.00 0.00 H new ATOM 0 HE22 GLN A 40 4.207 -17.877 9.899 1.00 0.00 H new ATOM 630 N SER A 41 6.215 -13.173 11.330 1.00 0.00 N ATOM 631 CA SER A 41 7.655 -13.403 11.177 1.00 0.00 C ATOM 632 C SER A 41 8.166 -14.626 11.944 1.00 0.00 C ATOM 633 O SER A 41 7.835 -14.794 13.123 1.00 0.00 O ATOM 634 CB SER A 41 8.432 -12.172 11.628 1.00 0.00 C ATOM 635 OG SER A 41 9.818 -12.360 11.379 1.00 0.00 O ATOM 0 H SER A 41 5.978 -12.610 12.147 1.00 0.00 H new ATOM 0 HA SER A 41 7.818 -13.598 10.117 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.074 -11.290 11.097 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.265 -11.994 12.690 1.00 0.00 H new ATOM 0 HG SER A 41 10.293 -11.514 11.518 1.00 0.00 H new ATOM 641 N PRO A 42 9.054 -15.433 11.330 1.00 0.00 N ATOM 642 CA PRO A 42 9.834 -16.434 12.048 1.00 0.00 C ATOM 643 C PRO A 42 10.970 -15.857 12.916 1.00 0.00 C ATOM 644 O PRO A 42 11.513 -16.574 13.759 1.00 0.00 O ATOM 645 CB PRO A 42 10.388 -17.386 10.978 1.00 0.00 C ATOM 646 CG PRO A 42 9.512 -17.132 9.752 1.00 0.00 C ATOM 647 CD PRO A 42 9.157 -15.655 9.896 1.00 0.00 C ATOM 0 HA PRO A 42 9.189 -16.940 12.766 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.437 -17.179 10.767 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.327 -18.425 11.301 1.00 0.00 H new ATOM 0 HG2 PRO A 42 10.047 -17.332 8.823 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.624 -17.764 9.751 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.923 -15.019 9.452 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.219 -15.423 9.392 1.00 0.00 H new ATOM 655 N MET A 43 11.355 -14.589 12.706 1.00 0.00 N ATOM 656 CA MET A 43 12.524 -13.942 13.335 1.00 0.00 C ATOM 657 C MET A 43 12.161 -12.789 14.288 1.00 0.00 C ATOM 658 O MET A 43 12.921 -12.500 15.217 1.00 0.00 O ATOM 659 CB MET A 43 13.473 -13.438 12.238 1.00 0.00 C ATOM 660 CG MET A 43 14.181 -14.596 11.518 1.00 0.00 C ATOM 661 SD MET A 43 14.502 -14.302 9.760 1.00 0.00 S ATOM 662 CE MET A 43 12.805 -14.501 9.155 1.00 0.00 C ATOM 0 H MET A 43 10.850 -13.965 12.077 1.00 0.00 H new ATOM 0 HA MET A 43 13.009 -14.699 13.952 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.910 -12.849 11.513 1.00 0.00 H new ATOM 0 HB3 MET A 43 14.217 -12.775 12.678 1.00 0.00 H new ATOM 0 HG2 MET A 43 15.128 -14.794 12.019 1.00 0.00 H new ATOM 0 HG3 MET A 43 13.573 -15.495 11.618 1.00 0.00 H new ATOM 0 HE1 MET A 43 12.823 -14.950 8.162 1.00 0.00 H new ATOM 0 HE2 MET A 43 12.250 -15.147 9.835 1.00 0.00 H new ATOM 0 HE3 MET A 43 12.320 -13.526 9.104 1.00 0.00 H new ATOM 672 N PHE A 44 11.013 -12.138 14.081 1.00 0.00 N ATOM 673 CA PHE A 44 10.501 -11.022 14.885 1.00 0.00 C ATOM 674 C PHE A 44 9.309 -11.452 15.761 1.00 0.00 C ATOM 675 O PHE A 44 8.592 -12.406 15.453 1.00 0.00 O ATOM 676 CB PHE A 44 10.176 -9.838 13.958 1.00 0.00 C ATOM 677 CG PHE A 44 9.551 -8.638 14.644 1.00 0.00 C ATOM 678 CD1 PHE A 44 10.330 -7.819 15.485 1.00 0.00 C ATOM 679 CD2 PHE A 44 8.181 -8.359 14.471 1.00 0.00 C ATOM 680 CE1 PHE A 44 9.739 -6.730 16.151 1.00 0.00 C ATOM 681 CE2 PHE A 44 7.593 -7.267 15.133 1.00 0.00 C ATOM 682 CZ PHE A 44 8.371 -6.454 15.976 1.00 0.00 C ATOM 0 H PHE A 44 10.386 -12.385 13.315 1.00 0.00 H new ATOM 0 HA PHE A 44 11.269 -10.696 15.587 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.095 -9.518 13.466 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.500 -10.183 13.176 1.00 0.00 H new ATOM 0 HD1 PHE A 44 11.381 -8.027 15.618 1.00 0.00 H new ATOM 0 HD2 PHE A 44 7.581 -8.986 13.828 1.00 0.00 H new ATOM 0 HE1 PHE A 44 10.337 -6.105 16.798 1.00 0.00 H new ATOM 0 HE2 PHE A 44 6.544 -7.053 14.994 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.918 -5.618 16.489 1.00 0.00 H new ATOM 692 N ASP A 45 9.085 -10.734 16.862 1.00 0.00 N ATOM 693 CA ASP A 45 8.080 -11.035 17.896 1.00 0.00 C ATOM 694 C ASP A 45 6.671 -10.509 17.531 1.00 0.00 C ATOM 695 O ASP A 45 6.012 -9.812 18.308 1.00 0.00 O ATOM 696 CB ASP A 45 8.604 -10.538 19.257 1.00 0.00 C ATOM 697 CG ASP A 45 7.741 -11.002 20.448 1.00 0.00 C ATOM 698 OD1 ASP A 45 7.299 -12.177 20.466 1.00 0.00 O ATOM 699 OD2 ASP A 45 7.545 -10.208 21.401 1.00 0.00 O ATOM 0 H ASP A 45 9.618 -9.890 17.071 1.00 0.00 H new ATOM 0 HA ASP A 45 7.941 -12.114 17.964 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.625 -10.893 19.397 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.643 -9.449 19.248 1.00 0.00 H new ATOM 704 N GLY A 46 6.228 -10.801 16.305 1.00 0.00 N ATOM 705 CA GLY A 46 4.977 -10.313 15.718 1.00 0.00 C ATOM 706 C GLY A 46 5.006 -10.344 14.190 1.00 0.00 C ATOM 707 O GLY A 46 5.579 -11.257 13.586 1.00 0.00 O ATOM 0 H GLY A 46 6.750 -11.406 15.671 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.147 -10.922 16.076 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.793 -9.293 16.056 1.00 0.00 H new ATOM 711 N LYS A 47 4.381 -9.342 13.559 1.00 0.00 N ATOM 712 CA LYS A 47 4.255 -9.242 12.098 1.00 0.00 C ATOM 713 C LYS A 47 5.129 -8.129 11.517 1.00 0.00 C ATOM 714 O LYS A 47 5.422 -7.140 12.188 1.00 0.00 O ATOM 715 CB LYS A 47 2.779 -9.136 11.669 1.00 0.00 C ATOM 716 CG LYS A 47 1.878 -10.158 12.391 1.00 0.00 C ATOM 717 CD LYS A 47 0.780 -10.763 11.512 1.00 0.00 C ATOM 718 CE LYS A 47 -0.139 -9.769 10.788 1.00 0.00 C ATOM 719 NZ LYS A 47 -0.917 -8.896 11.707 1.00 0.00 N ATOM 0 H LYS A 47 3.942 -8.567 14.055 1.00 0.00 H new ATOM 0 HA LYS A 47 4.638 -10.169 11.671 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.416 -8.129 11.874 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.705 -9.289 10.592 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.501 -10.964 12.779 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.414 -9.673 13.249 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.253 -11.399 10.764 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.161 -11.409 12.134 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.464 -9.143 10.130 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.831 -10.323 10.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.576 -8.311 11.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.454 -9.486 12.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.266 -8.280 12.235 1.00 0.00 H new ATOM 733 N VAL A 48 5.545 -8.309 10.268 1.00 0.00 N ATOM 734 CA VAL A 48 6.521 -7.467 9.555 1.00 0.00 C ATOM 735 C VAL A 48 5.985 -7.013 8.186 1.00 0.00 C ATOM 736 O VAL A 48 5.220 -7.760 7.566 1.00 0.00 O ATOM 737 CB VAL A 48 7.873 -8.197 9.406 1.00 0.00 C ATOM 738 CG1 VAL A 48 8.530 -8.397 10.779 1.00 0.00 C ATOM 739 CG2 VAL A 48 7.752 -9.564 8.716 1.00 0.00 C ATOM 0 H VAL A 48 5.201 -9.078 9.693 1.00 0.00 H new ATOM 0 HA VAL A 48 6.682 -6.571 10.155 1.00 0.00 H new ATOM 0 HB VAL A 48 8.488 -7.558 8.773 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.482 -8.913 10.655 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.701 -7.427 11.245 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.874 -8.993 11.413 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.738 -10.023 8.643 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.094 -10.208 9.298 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.339 -9.432 7.716 1.00 0.00 H new ATOM 749 N PRO A 49 6.339 -5.803 7.703 1.00 0.00 N ATOM 750 CA PRO A 49 5.794 -5.250 6.464 1.00 0.00 C ATOM 751 C PRO A 49 6.501 -5.774 5.205 1.00 0.00 C ATOM 752 O PRO A 49 7.724 -5.697 5.080 1.00 0.00 O ATOM 753 CB PRO A 49 5.936 -3.730 6.597 1.00 0.00 C ATOM 754 CG PRO A 49 7.181 -3.574 7.470 1.00 0.00 C ATOM 755 CD PRO A 49 7.114 -4.784 8.403 1.00 0.00 C ATOM 0 HA PRO A 49 4.756 -5.556 6.336 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.061 -3.250 5.626 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.058 -3.282 7.063 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.093 -3.577 6.873 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.167 -2.637 8.026 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.114 -5.149 8.637 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.642 -4.519 9.349 1.00 0.00 H new ATOM 763 N HIS A 50 5.720 -6.251 4.231 1.00 0.00 N ATOM 764 CA HIS A 50 6.167 -6.534 2.862 1.00 0.00 C ATOM 765 C HIS A 50 5.745 -5.383 1.968 1.00 0.00 C ATOM 766 O HIS A 50 4.567 -5.276 1.660 1.00 0.00 O ATOM 767 CB HIS A 50 5.593 -7.881 2.383 1.00 0.00 C ATOM 768 CG HIS A 50 6.377 -9.070 2.877 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.605 -10.253 2.166 1.00 0.00 N ATOM 770 CD2 HIS A 50 6.986 -9.165 4.093 1.00 0.00 C ATOM 771 CE1 HIS A 50 7.336 -11.034 2.981 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.604 -10.395 4.133 1.00 0.00 N ATOM 0 H HIS A 50 4.732 -6.457 4.376 1.00 0.00 H new ATOM 0 HA HIS A 50 7.253 -6.622 2.825 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.560 -7.969 2.721 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.574 -7.894 1.293 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.984 -8.419 4.874 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.662 -12.036 2.743 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.167 -10.758 4.902 1.00 0.00 H new ATOM 780 N TRP A 51 6.679 -4.499 1.616 1.00 0.00 N ATOM 781 CA TRP A 51 6.416 -3.274 0.860 1.00 0.00 C ATOM 782 C TRP A 51 6.316 -3.542 -0.645 1.00 0.00 C ATOM 783 O TRP A 51 7.049 -4.353 -1.208 1.00 0.00 O ATOM 784 CB TRP A 51 7.522 -2.250 1.123 1.00 0.00 C ATOM 785 CG TRP A 51 7.645 -1.790 2.541 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.529 -2.262 3.449 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.860 -0.771 3.233 1.00 0.00 C ATOM 788 NE1 TRP A 51 8.343 -1.614 4.654 1.00 0.00 N ATOM 789 CE2 TRP A 51 7.308 -0.708 4.587 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.800 0.089 2.862 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.717 0.139 5.533 1.00 0.00 C ATOM 792 CZ3 TRP A 51 5.193 0.937 3.810 1.00 0.00 C ATOM 793 CH2 TRP A 51 5.648 0.959 5.141 1.00 0.00 C ATOM 0 H TRP A 51 7.664 -4.618 1.855 1.00 0.00 H new ATOM 0 HA TRP A 51 5.457 -2.881 1.197 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.474 -2.681 0.815 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.346 -1.380 0.490 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.267 -3.028 3.261 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.902 -1.785 5.490 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.452 0.096 1.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.079 0.161 6.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.373 1.574 3.513 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.174 1.608 5.862 1.00 0.00 H new ATOM 804 N TYR A 52 5.457 -2.800 -1.325 1.00 0.00 N ATOM 805 CA TYR A 52 5.349 -2.795 -2.776 1.00 0.00 C ATOM 806 C TYR A 52 4.934 -1.395 -3.265 1.00 0.00 C ATOM 807 O TYR A 52 4.402 -0.585 -2.498 1.00 0.00 O ATOM 808 CB TYR A 52 4.389 -3.901 -3.275 1.00 0.00 C ATOM 809 CG TYR A 52 4.049 -5.097 -2.388 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.168 -4.971 -1.292 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.547 -6.370 -2.729 1.00 0.00 C ATOM 812 CE1 TYR A 52 2.795 -6.112 -0.547 1.00 0.00 C ATOM 813 CE2 TYR A 52 4.175 -7.509 -1.990 1.00 0.00 C ATOM 814 CZ TYR A 52 3.306 -7.381 -0.889 1.00 0.00 C ATOM 815 OH TYR A 52 2.964 -8.478 -0.160 1.00 0.00 O ATOM 0 H TYR A 52 4.798 -2.167 -0.871 1.00 0.00 H new ATOM 0 HA TYR A 52 6.325 -3.023 -3.203 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.448 -3.416 -3.534 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.809 -4.297 -4.200 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.778 -4.000 -1.023 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.221 -6.473 -3.566 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.116 -6.012 0.287 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.556 -8.481 -2.267 1.00 0.00 H new ATOM 0 HH TYR A 52 3.404 -9.270 -0.534 1.00 0.00 H new ATOM 825 N HIS A 53 5.148 -1.095 -4.548 1.00 0.00 N ATOM 826 CA HIS A 53 4.537 0.087 -5.189 1.00 0.00 C ATOM 827 C HIS A 53 2.998 0.042 -5.064 1.00 0.00 C ATOM 828 O HIS A 53 2.419 -1.035 -4.901 1.00 0.00 O ATOM 829 CB HIS A 53 4.935 0.175 -6.674 1.00 0.00 C ATOM 830 CG HIS A 53 6.415 0.280 -6.970 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.246 -0.705 -7.522 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.148 1.424 -6.826 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.445 -0.128 -7.699 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.416 1.150 -7.291 1.00 0.00 N ATOM 0 H HIS A 53 5.738 -1.649 -5.169 1.00 0.00 H new ATOM 0 HA HIS A 53 4.909 0.973 -4.674 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.546 -0.706 -7.184 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.437 1.041 -7.110 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.800 2.364 -6.424 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.312 -0.623 -8.112 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.197 1.805 -7.320 1.00 0.00 H new ATOM 842 N PHE A 54 2.316 1.189 -5.194 1.00 0.00 N ATOM 843 CA PHE A 54 0.845 1.256 -5.125 1.00 0.00 C ATOM 844 C PHE A 54 0.153 0.256 -6.081 1.00 0.00 C ATOM 845 O PHE A 54 -0.765 -0.448 -5.671 1.00 0.00 O ATOM 846 CB PHE A 54 0.375 2.687 -5.432 1.00 0.00 C ATOM 847 CG PHE A 54 -1.127 2.828 -5.655 1.00 0.00 C ATOM 848 CD1 PHE A 54 -2.042 2.439 -4.653 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.616 3.313 -6.885 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.426 2.505 -4.894 1.00 0.00 C ATOM 851 CE2 PHE A 54 -3.002 3.398 -7.115 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.907 2.984 -6.123 1.00 0.00 C ATOM 0 H PHE A 54 2.763 2.093 -5.349 1.00 0.00 H new ATOM 0 HA PHE A 54 0.558 0.976 -4.111 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.669 3.337 -4.608 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.896 3.044 -6.321 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.678 2.090 -3.698 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.924 3.621 -7.655 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.121 2.186 -4.131 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.370 3.782 -8.055 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.970 3.034 -6.306 1.00 0.00 H new ATOM 862 N SER A 55 0.628 0.148 -7.330 1.00 0.00 N ATOM 863 CA SER A 55 0.118 -0.790 -8.347 1.00 0.00 C ATOM 864 C SER A 55 0.449 -2.243 -7.993 1.00 0.00 C ATOM 865 O SER A 55 -0.379 -3.148 -8.141 1.00 0.00 O ATOM 866 CB SER A 55 0.742 -0.413 -9.701 1.00 0.00 C ATOM 867 OG SER A 55 0.642 -1.454 -10.656 1.00 0.00 O ATOM 0 H SER A 55 1.397 0.724 -7.672 1.00 0.00 H new ATOM 0 HA SER A 55 -0.968 -0.714 -8.392 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.249 0.479 -10.088 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.792 -0.159 -9.555 1.00 0.00 H new ATOM 0 HG SER A 55 1.051 -1.165 -11.499 1.00 0.00 H new ATOM 873 N CYS A 56 1.664 -2.470 -7.491 1.00 0.00 N ATOM 874 CA CYS A 56 2.202 -3.789 -7.228 1.00 0.00 C ATOM 875 C CYS A 56 1.426 -4.564 -6.148 1.00 0.00 C ATOM 876 O CYS A 56 1.242 -5.767 -6.305 1.00 0.00 O ATOM 877 CB CYS A 56 3.689 -3.654 -6.920 1.00 0.00 C ATOM 878 SG CYS A 56 4.598 -3.095 -8.412 1.00 0.00 S ATOM 0 H CYS A 56 2.310 -1.718 -7.253 1.00 0.00 H new ATOM 0 HA CYS A 56 2.079 -4.402 -8.121 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.836 -2.942 -6.108 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.086 -4.611 -6.581 1.00 0.00 H new ATOM 883 N PHE A 57 0.906 -3.894 -5.113 1.00 0.00 N ATOM 884 CA PHE A 57 0.010 -4.490 -4.109 1.00 0.00 C ATOM 885 C PHE A 57 -1.179 -5.222 -4.756 1.00 0.00 C ATOM 886 O PHE A 57 -1.425 -6.399 -4.479 1.00 0.00 O ATOM 887 CB PHE A 57 -0.484 -3.389 -3.164 1.00 0.00 C ATOM 888 CG PHE A 57 -1.509 -3.856 -2.146 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.861 -3.992 -2.518 1.00 0.00 C ATOM 890 CD2 PHE A 57 -1.120 -4.166 -0.829 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.808 -4.477 -1.604 1.00 0.00 C ATOM 892 CE2 PHE A 57 -2.082 -4.591 0.104 1.00 0.00 C ATOM 893 CZ PHE A 57 -3.422 -4.764 -0.285 1.00 0.00 C ATOM 0 H PHE A 57 1.098 -2.906 -4.945 1.00 0.00 H new ATOM 0 HA PHE A 57 0.571 -5.237 -3.548 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.372 -2.969 -2.635 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.918 -2.584 -3.757 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.171 -3.720 -3.516 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.084 -4.077 -0.536 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.831 -4.629 -1.914 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.790 -4.786 1.125 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.152 -5.117 0.429 1.00 0.00 H new ATOM 903 N TRP A 58 -1.894 -4.551 -5.665 1.00 0.00 N ATOM 904 CA TRP A 58 -3.049 -5.123 -6.365 1.00 0.00 C ATOM 905 C TRP A 58 -2.618 -6.220 -7.349 1.00 0.00 C ATOM 906 O TRP A 58 -3.347 -7.186 -7.570 1.00 0.00 O ATOM 907 CB TRP A 58 -3.805 -4.006 -7.088 1.00 0.00 C ATOM 908 CG TRP A 58 -4.133 -2.816 -6.237 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.469 -1.643 -6.283 1.00 0.00 C ATOM 910 CD2 TRP A 58 -5.132 -2.659 -5.176 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.920 -0.804 -5.287 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.951 -1.374 -4.574 1.00 0.00 C ATOM 913 CE3 TRP A 58 -6.176 -3.465 -4.664 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.749 -0.923 -3.510 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.993 -3.012 -3.613 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.769 -1.754 -3.030 1.00 0.00 C ATOM 0 H TRP A 58 -1.686 -3.590 -5.937 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.709 -5.589 -5.634 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.209 -3.674 -7.938 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.732 -4.415 -7.489 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.696 -1.397 -6.996 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.538 0.123 -5.101 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.348 -4.444 -5.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.579 0.048 -3.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.798 -3.635 -3.252 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.387 -1.426 -2.207 1.00 0.00 H new ATOM 927 N LYS A 59 -1.395 -6.109 -7.883 1.00 0.00 N ATOM 928 CA LYS A 59 -0.747 -7.077 -8.775 1.00 0.00 C ATOM 929 C LYS A 59 -0.297 -8.358 -8.048 1.00 0.00 C ATOM 930 O LYS A 59 -0.141 -9.388 -8.701 1.00 0.00 O ATOM 931 CB LYS A 59 0.384 -6.331 -9.496 1.00 0.00 C ATOM 932 CG LYS A 59 0.972 -7.073 -10.698 1.00 0.00 C ATOM 933 CD LYS A 59 1.867 -6.170 -11.569 1.00 0.00 C ATOM 934 CE LYS A 59 2.952 -5.432 -10.765 1.00 0.00 C ATOM 935 NZ LYS A 59 2.720 -3.963 -10.693 1.00 0.00 N ATOM 0 H LYS A 59 -0.802 -5.301 -7.695 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.456 -7.456 -9.511 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.008 -5.364 -9.831 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.183 -6.132 -8.782 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.554 -7.925 -10.346 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.161 -7.471 -11.307 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.344 -6.777 -12.338 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.243 -5.438 -12.082 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.989 -5.839 -9.755 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.925 -5.619 -11.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.421 -3.532 -10.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.813 -3.550 -11.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.763 -3.780 -10.328 1.00 0.00 H new ATOM 949 N VAL A 60 -0.176 -8.351 -6.710 1.00 0.00 N ATOM 950 CA VAL A 60 -0.089 -9.595 -5.901 1.00 0.00 C ATOM 951 C VAL A 60 -1.414 -10.386 -5.938 1.00 0.00 C ATOM 952 O VAL A 60 -1.414 -11.606 -5.768 1.00 0.00 O ATOM 953 CB VAL A 60 0.309 -9.318 -4.429 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.654 -10.604 -3.660 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.536 -8.412 -4.294 1.00 0.00 C ATOM 0 H VAL A 60 -0.135 -7.496 -6.156 1.00 0.00 H new ATOM 0 HA VAL A 60 0.699 -10.195 -6.356 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.574 -8.832 -4.014 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.926 -10.353 -2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.211 -11.268 -3.654 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.492 -11.104 -4.145 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.760 -8.258 -3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.390 -8.881 -4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.332 -7.451 -4.765 1.00 0.00 H new ATOM 965 N GLY A 61 -2.542 -9.712 -6.193 1.00 0.00 N ATOM 966 CA GLY A 61 -3.893 -10.290 -6.216 1.00 0.00 C ATOM 967 C GLY A 61 -4.718 -10.048 -4.943 1.00 0.00 C ATOM 968 O GLY A 61 -5.798 -10.626 -4.801 1.00 0.00 O ATOM 0 H GLY A 61 -2.540 -8.713 -6.397 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.435 -9.878 -7.067 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.811 -11.364 -6.380 1.00 0.00 H new ATOM 972 N HIS A 62 -4.242 -9.206 -4.016 1.00 0.00 N ATOM 973 CA HIS A 62 -4.998 -8.800 -2.820 1.00 0.00 C ATOM 974 C HIS A 62 -6.141 -7.828 -3.150 1.00 0.00 C ATOM 975 O HIS A 62 -6.083 -7.064 -4.116 1.00 0.00 O ATOM 976 CB HIS A 62 -4.059 -8.231 -1.744 1.00 0.00 C ATOM 977 CG HIS A 62 -3.391 -9.318 -0.938 1.00 0.00 C ATOM 978 ND1 HIS A 62 -3.914 -9.898 0.223 1.00 0.00 N ATOM 979 CD2 HIS A 62 -2.210 -9.928 -1.242 1.00 0.00 C ATOM 980 CE1 HIS A 62 -3.023 -10.834 0.599 1.00 0.00 C ATOM 981 NE2 HIS A 62 -1.995 -10.877 -0.267 1.00 0.00 N ATOM 0 H HIS A 62 -3.315 -8.784 -4.074 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.467 -9.697 -2.416 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.297 -7.613 -2.219 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.625 -7.582 -1.076 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.568 -9.710 -2.083 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.120 -11.462 1.473 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.193 -11.505 -0.211 1.00 0.00 H new ATOM 989 N SER A 63 -7.186 -7.866 -2.320 1.00 0.00 N ATOM 990 CA SER A 63 -8.400 -7.044 -2.412 1.00 0.00 C ATOM 991 C SER A 63 -8.871 -6.640 -1.008 1.00 0.00 C ATOM 992 O SER A 63 -8.536 -7.296 -0.022 1.00 0.00 O ATOM 993 CB SER A 63 -9.494 -7.801 -3.169 1.00 0.00 C ATOM 994 OG SER A 63 -10.575 -6.930 -3.453 1.00 0.00 O ATOM 0 H SER A 63 -7.212 -8.503 -1.524 1.00 0.00 H new ATOM 0 HA SER A 63 -8.175 -6.134 -2.968 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.091 -8.209 -4.096 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.842 -8.645 -2.574 1.00 0.00 H new ATOM 0 HG SER A 63 -11.271 -7.420 -3.939 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.596 -5.525 -0.902 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.840 -4.790 0.351 1.00 0.00 C ATOM 1002 C ILE A 64 -11.321 -4.380 0.411 1.00 0.00 C ATOM 1003 O ILE A 64 -11.881 -3.936 -0.595 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.878 -3.575 0.441 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.428 -3.902 0.002 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.873 -2.996 1.858 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.434 -2.751 0.184 1.00 0.00 C ATOM 0 H ILE A 64 -10.046 -5.091 -1.708 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.636 -5.421 1.216 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.262 -2.835 -0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.075 -4.763 0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.437 -4.195 -1.048 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.193 -2.145 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.879 -2.670 2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.543 -3.760 2.562 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.445 -3.068 -0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.758 -1.894 -0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.390 -2.471 1.236 1.00 0.00 H new ATOM 1019 N ARG A 65 -11.971 -4.555 1.571 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.439 -4.443 1.748 1.00 0.00 C ATOM 1021 C ARG A 65 -13.877 -3.382 2.765 1.00 0.00 C ATOM 1022 O ARG A 65 -15.001 -2.886 2.679 1.00 0.00 O ATOM 1023 CB ARG A 65 -14.081 -5.822 2.036 1.00 0.00 C ATOM 1024 CG ARG A 65 -13.309 -6.744 3.001 1.00 0.00 C ATOM 1025 CD ARG A 65 -12.301 -7.644 2.268 1.00 0.00 C ATOM 1026 NE ARG A 65 -11.004 -7.707 2.964 1.00 0.00 N ATOM 1027 CZ ARG A 65 -9.965 -8.446 2.631 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -9.999 -9.343 1.686 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -8.854 -8.264 3.267 1.00 0.00 N ATOM 0 H ARG A 65 -11.485 -4.784 2.438 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.819 -4.083 0.792 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.078 -5.657 2.444 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.207 -6.346 1.089 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.782 -6.136 3.737 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.016 -7.366 3.549 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.712 -8.649 2.178 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -12.151 -7.269 1.256 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.899 -7.117 3.790 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.860 -9.500 1.163 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.164 -9.888 1.469 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.798 -7.563 4.005 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.034 -8.822 3.030 1.00 0.00 H new ATOM 1043 N HIS A 66 -12.993 -2.984 3.679 1.00 0.00 N ATOM 1044 CA HIS A 66 -13.146 -1.816 4.558 1.00 0.00 C ATOM 1045 C HIS A 66 -11.807 -1.066 4.661 1.00 0.00 C ATOM 1046 O HIS A 66 -11.142 -1.096 5.698 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.833 -2.170 5.900 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.293 -3.293 6.767 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -12.830 -4.507 6.350 1.00 0.00 N flip ATOM 1050 CD2 HIS A 66 -13.367 -3.320 8.165 1.00 0.00 C flip ATOM 1051 CE1 HIS A 66 -12.574 -5.257 7.474 1.00 0.00 C flip ATOM 1052 NE2 HIS A 66 -12.908 -4.525 8.545 1.00 0.00 N flip ATOM 0 H HIS A 66 -12.117 -3.482 3.837 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.847 -1.109 4.115 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.836 -1.266 6.509 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.873 -2.407 5.677 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -13.722 -2.530 8.810 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -12.174 -6.260 7.490 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -12.826 -4.838 9.512 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.355 -0.424 3.562 1.00 0.00 N ATOM 1061 CA PRO A 67 -9.966 0.005 3.397 1.00 0.00 C ATOM 1062 C PRO A 67 -9.477 1.040 4.411 1.00 0.00 C ATOM 1063 O PRO A 67 -8.326 0.965 4.823 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.854 0.529 1.956 1.00 0.00 C ATOM 1065 CG PRO A 67 -11.294 0.875 1.592 1.00 0.00 C ATOM 1066 CD PRO A 67 -12.087 -0.198 2.324 1.00 0.00 C ATOM 0 HA PRO A 67 -9.312 -0.846 3.587 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.204 1.402 1.895 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.440 -0.224 1.286 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.566 1.877 1.923 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.460 0.839 0.515 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -13.107 0.131 2.522 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.156 -1.111 1.733 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.322 1.951 4.894 1.00 0.00 N ATOM 1075 CA ASP A 68 -9.929 2.909 5.939 1.00 0.00 C ATOM 1076 C ASP A 68 -9.771 2.264 7.334 1.00 0.00 C ATOM 1077 O ASP A 68 -9.253 2.899 8.256 1.00 0.00 O ATOM 1078 CB ASP A 68 -10.858 4.130 5.926 1.00 0.00 C ATOM 1079 CG ASP A 68 -12.333 3.766 6.131 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -12.793 3.695 7.294 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -13.033 3.571 5.108 1.00 0.00 O ATOM 0 H ASP A 68 -11.287 2.049 4.580 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.927 3.264 5.699 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.549 4.823 6.709 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.748 4.653 4.976 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.176 0.995 7.479 1.00 0.00 N ATOM 1087 CA VAL A 69 -9.956 0.155 8.665 1.00 0.00 C ATOM 1088 C VAL A 69 -8.765 -0.794 8.464 1.00 0.00 C ATOM 1089 O VAL A 69 -7.927 -0.937 9.355 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.221 -0.660 9.014 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -11.100 -1.305 10.400 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.500 0.190 8.997 1.00 0.00 C ATOM 0 H VAL A 69 -10.686 0.506 6.744 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.731 0.824 9.495 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.296 -1.425 8.241 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.005 -1.872 10.618 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.240 -1.974 10.416 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.969 -0.528 11.153 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.356 -0.436 9.250 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.411 0.995 9.726 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.642 0.615 8.003 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.669 -1.437 7.293 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.659 -2.472 7.002 1.00 0.00 C ATOM 1104 C GLU A 70 -6.307 -1.907 6.567 1.00 0.00 C ATOM 1105 O GLU A 70 -5.268 -2.480 6.901 1.00 0.00 O ATOM 1106 CB GLU A 70 -8.162 -3.418 5.890 1.00 0.00 C ATOM 1107 CG GLU A 70 -9.472 -4.152 6.186 1.00 0.00 C ATOM 1108 CD GLU A 70 -9.900 -5.029 4.992 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -10.596 -4.540 4.069 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -9.570 -6.236 4.972 1.00 0.00 O ATOM 0 H GLU A 70 -9.296 -1.254 6.510 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.513 -3.005 7.941 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.290 -2.838 4.976 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.388 -4.160 5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.351 -4.774 7.073 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.256 -3.428 6.409 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.319 -0.797 5.826 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.133 -0.116 5.307 1.00 0.00 C ATOM 1119 C VAL A 71 -4.693 0.956 6.287 1.00 0.00 C ATOM 1120 O VAL A 71 -5.209 2.074 6.344 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.347 0.436 3.900 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -3.980 0.834 3.371 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -5.902 -0.640 2.966 1.00 0.00 C ATOM 0 H VAL A 71 -7.187 -0.331 5.562 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.330 -0.847 5.211 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.049 1.269 3.939 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.083 1.236 2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.545 1.593 4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.330 -0.041 3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.045 -0.219 1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.200 -1.472 2.911 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.858 -0.997 3.350 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.687 0.590 7.061 1.00 0.00 N ATOM 1134 CA ASP A 72 -2.979 1.476 7.967 1.00 0.00 C ATOM 1135 C ASP A 72 -2.172 2.541 7.205 1.00 0.00 C ATOM 1136 O ASP A 72 -1.643 2.270 6.133 1.00 0.00 O ATOM 1137 CB ASP A 72 -2.105 0.564 8.815 1.00 0.00 C ATOM 1138 CG ASP A 72 -1.296 1.327 9.860 1.00 0.00 C ATOM 1139 OD1 ASP A 72 -1.867 2.180 10.573 1.00 0.00 O ATOM 1140 OD2 ASP A 72 -0.091 1.022 10.007 1.00 0.00 O ATOM 0 H ASP A 72 -3.328 -0.365 7.076 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.660 2.052 8.593 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.734 -0.172 9.315 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.424 0.013 8.166 1.00 0.00 H new ATOM 1145 N GLY A 73 -2.084 3.761 7.728 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.352 4.882 7.118 1.00 0.00 C ATOM 1147 C GLY A 73 -2.125 5.632 6.021 1.00 0.00 C ATOM 1148 O GLY A 73 -1.688 6.689 5.572 1.00 0.00 O ATOM 0 H GLY A 73 -2.530 4.010 8.611 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.080 5.590 7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.422 4.503 6.694 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.327 5.166 5.663 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.303 5.867 4.812 1.00 0.00 C ATOM 1154 C PHE A 74 -4.643 7.278 5.335 1.00 0.00 C ATOM 1155 O PHE A 74 -4.962 8.176 4.558 1.00 0.00 O ATOM 1156 CB PHE A 74 -5.548 4.967 4.758 1.00 0.00 C ATOM 1157 CG PHE A 74 -6.726 5.488 3.961 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -6.818 5.218 2.583 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -7.763 6.189 4.610 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -7.944 5.645 1.859 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -8.885 6.622 3.881 1.00 0.00 C ATOM 1162 CZ PHE A 74 -8.973 6.351 2.507 1.00 0.00 C ATOM 0 H PHE A 74 -3.663 4.253 5.969 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.889 6.033 3.818 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.254 4.003 4.342 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.881 4.785 5.780 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.024 4.683 2.083 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.696 6.394 5.668 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.019 5.431 0.803 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.677 7.162 4.378 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.833 6.685 1.946 1.00 0.00 H new ATOM 1172 N SER A 75 -4.509 7.503 6.644 1.00 0.00 N ATOM 1173 CA SER A 75 -4.594 8.817 7.302 1.00 0.00 C ATOM 1174 C SER A 75 -3.524 9.830 6.856 1.00 0.00 C ATOM 1175 O SER A 75 -3.741 11.036 6.989 1.00 0.00 O ATOM 1176 CB SER A 75 -4.480 8.619 8.819 1.00 0.00 C ATOM 1177 OG SER A 75 -3.371 7.786 9.138 1.00 0.00 O ATOM 0 H SER A 75 -4.331 6.747 7.305 1.00 0.00 H new ATOM 0 HA SER A 75 -5.555 9.240 7.009 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.367 9.586 9.309 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.398 8.173 9.202 1.00 0.00 H new ATOM 0 HG SER A 75 -3.315 7.674 10.110 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.386 9.382 6.314 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.301 10.255 5.838 1.00 0.00 C ATOM 1185 C GLU A 76 -1.528 10.784 4.405 1.00 0.00 C ATOM 1186 O GLU A 76 -0.898 11.762 3.997 1.00 0.00 O ATOM 1187 CB GLU A 76 0.053 9.524 5.899 1.00 0.00 C ATOM 1188 CG GLU A 76 0.398 8.940 7.279 1.00 0.00 C ATOM 1189 CD GLU A 76 1.898 8.595 7.375 1.00 0.00 C ATOM 1190 OE1 GLU A 76 2.432 7.883 6.492 1.00 0.00 O ATOM 1191 OE2 GLU A 76 2.568 9.055 8.331 1.00 0.00 O ATOM 0 H GLU A 76 -2.188 8.389 6.191 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.295 11.115 6.508 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.049 8.717 5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.840 10.218 5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.136 9.657 8.057 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.197 8.044 7.458 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.418 10.144 3.639 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.727 10.480 2.244 1.00 0.00 C ATOM 1200 C LEU A 77 -3.587 11.754 2.147 1.00 0.00 C ATOM 1201 O LEU A 77 -4.443 12.013 2.999 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.454 9.292 1.578 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.594 8.110 1.094 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -1.586 7.571 2.106 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -3.524 6.968 0.676 1.00 0.00 C ATOM 0 H LEU A 77 -2.961 9.352 3.984 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.790 10.676 1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.186 8.906 2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.010 9.675 0.722 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.000 8.499 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.034 6.742 1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.890 8.363 2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.113 7.223 2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.929 6.122 0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.130 6.661 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.176 7.306 -0.129 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.420 12.516 1.058 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.351 13.575 0.636 1.00 0.00 C ATOM 1219 C ARG A 78 -5.686 12.954 0.202 1.00 0.00 C ATOM 1220 O ARG A 78 -5.724 11.797 -0.225 1.00 0.00 O ATOM 1221 CB ARG A 78 -3.693 14.358 -0.516 1.00 0.00 C ATOM 1222 CG ARG A 78 -4.316 15.736 -0.808 1.00 0.00 C ATOM 1223 CD ARG A 78 -4.394 15.988 -2.317 1.00 0.00 C ATOM 1224 NE ARG A 78 -3.058 16.038 -2.946 1.00 0.00 N ATOM 1225 CZ ARG A 78 -2.792 16.132 -4.237 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -3.732 16.232 -5.135 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -1.559 16.132 -4.657 1.00 0.00 N ATOM 0 H ARG A 78 -2.620 12.413 0.433 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.561 14.257 1.460 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.637 14.496 -0.285 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.745 13.754 -1.422 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.314 15.788 -0.374 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.721 16.517 -0.334 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.984 15.200 -2.785 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.915 16.928 -2.500 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.256 15.995 -2.317 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.711 16.240 -4.850 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.488 16.303 -6.123 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.792 16.059 -3.988 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.360 16.205 -5.655 1.00 0.00 H new ATOM 1241 N TRP A 79 -6.769 13.734 0.228 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.110 13.285 -0.179 1.00 0.00 C ATOM 1243 C TRP A 79 -8.143 12.646 -1.582 1.00 0.00 C ATOM 1244 O TRP A 79 -8.881 11.687 -1.796 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.125 14.441 -0.033 1.00 0.00 C ATOM 1246 CG TRP A 79 -9.918 14.810 -1.254 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.193 14.438 -1.513 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -9.498 15.608 -2.404 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -11.590 14.955 -2.733 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -10.583 15.685 -3.327 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -8.300 16.259 -2.765 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -10.488 16.389 -4.539 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -8.193 16.972 -3.974 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -9.283 17.039 -4.861 1.00 0.00 C ATOM 0 H TRP A 79 -6.743 14.706 0.535 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.403 12.482 0.498 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -9.826 14.179 0.760 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.584 15.327 0.300 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.807 13.830 -0.866 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -12.513 14.814 -3.142 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.449 16.210 -2.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -11.329 16.431 -5.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -7.268 17.471 -4.222 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.195 17.588 -5.787 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.306 13.116 -2.514 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.271 12.607 -3.891 1.00 0.00 C ATOM 1267 C ASP A 80 -6.653 11.199 -4.014 1.00 0.00 C ATOM 1268 O ASP A 80 -7.031 10.427 -4.893 1.00 0.00 O ATOM 1269 CB ASP A 80 -6.555 13.596 -4.818 1.00 0.00 C ATOM 1270 CG ASP A 80 -6.781 13.240 -6.300 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -7.936 12.936 -6.685 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -5.804 13.292 -7.085 1.00 0.00 O ATOM 0 H ASP A 80 -6.633 13.861 -2.335 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.311 12.510 -4.203 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.917 14.606 -4.625 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.487 13.594 -4.600 1.00 0.00 H new ATOM 1277 N ASP A 81 -5.718 10.837 -3.129 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.179 9.481 -3.036 1.00 0.00 C ATOM 1279 C ASP A 81 -6.081 8.605 -2.167 1.00 0.00 C ATOM 1280 O ASP A 81 -6.302 7.453 -2.521 1.00 0.00 O ATOM 1281 CB ASP A 81 -3.735 9.495 -2.524 1.00 0.00 C ATOM 1282 CG ASP A 81 -2.757 9.948 -3.616 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.589 9.205 -4.614 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.142 11.027 -3.457 1.00 0.00 O ATOM 0 H ASP A 81 -5.312 11.484 -2.453 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.160 9.048 -4.036 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.658 10.162 -1.666 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.460 8.498 -2.178 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.692 9.140 -1.104 1.00 0.00 N ATOM 1290 CA GLN A 82 -7.702 8.421 -0.319 1.00 0.00 C ATOM 1291 C GLN A 82 -8.880 7.963 -1.192 1.00 0.00 C ATOM 1292 O GLN A 82 -9.192 6.772 -1.222 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.203 9.300 0.838 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.168 9.414 1.965 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.646 10.264 3.142 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.560 11.078 3.050 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -7.042 10.118 4.299 1.00 0.00 N ATOM 0 H GLN A 82 -6.501 10.082 -0.764 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.229 7.528 0.091 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.439 10.295 0.461 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.128 8.882 1.236 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.921 8.415 2.324 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.250 9.845 1.564 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.280 9.447 4.395 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.335 10.676 5.101 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.490 8.866 -1.969 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.627 8.527 -2.836 1.00 0.00 C ATOM 1308 C GLN A 83 -10.252 7.522 -3.935 1.00 0.00 C ATOM 1309 O GLN A 83 -11.073 6.681 -4.292 1.00 0.00 O ATOM 1310 CB GLN A 83 -11.290 9.809 -3.386 1.00 0.00 C ATOM 1311 CG GLN A 83 -10.473 10.622 -4.412 1.00 0.00 C ATOM 1312 CD GLN A 83 -10.584 10.172 -5.874 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -11.359 9.300 -6.246 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -9.831 10.759 -6.780 1.00 0.00 N ATOM 0 H GLN A 83 -9.212 9.846 -2.015 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.371 8.013 -2.227 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -12.238 9.532 -3.848 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.524 10.460 -2.544 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -10.785 11.665 -4.350 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -9.423 10.585 -4.121 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.175 11.489 -6.503 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.903 10.484 -7.759 1.00 0.00 H new ATOM 1323 N LYS A 84 -9.001 7.535 -4.418 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.494 6.669 -5.482 1.00 0.00 C ATOM 1325 C LYS A 84 -8.045 5.314 -4.938 1.00 0.00 C ATOM 1326 O LYS A 84 -8.300 4.309 -5.589 1.00 0.00 O ATOM 1327 CB LYS A 84 -7.398 7.446 -6.223 1.00 0.00 C ATOM 1328 CG LYS A 84 -6.699 6.667 -7.350 1.00 0.00 C ATOM 1329 CD LYS A 84 -5.313 6.187 -6.907 1.00 0.00 C ATOM 1330 CE LYS A 84 -4.350 7.378 -6.779 1.00 0.00 C ATOM 1331 NZ LYS A 84 -3.044 6.985 -6.201 1.00 0.00 N ATOM 0 H LYS A 84 -8.291 8.175 -4.062 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.279 6.418 -6.195 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.836 8.351 -6.645 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.646 7.763 -5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.309 5.811 -7.638 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.604 7.302 -8.231 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.389 5.668 -5.951 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.921 5.470 -7.629 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.191 7.821 -7.762 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.806 8.145 -6.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.714 7.728 -5.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.150 6.092 -5.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.350 6.859 -6.965 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.477 5.247 -3.732 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.211 3.969 -3.033 1.00 0.00 C ATOM 1347 C VAL A 85 -8.534 3.269 -2.700 1.00 0.00 C ATOM 1348 O VAL A 85 -8.678 2.081 -2.987 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.343 4.177 -1.768 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.235 2.925 -0.881 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -4.907 4.571 -2.132 1.00 0.00 C ATOM 0 H VAL A 85 -7.186 6.071 -3.206 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.638 3.326 -3.701 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.854 4.969 -1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.612 3.146 -0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.229 2.629 -0.547 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.787 2.112 -1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.325 4.709 -1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.455 3.783 -2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.918 5.501 -2.700 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.541 3.999 -2.193 1.00 0.00 N ATOM 1362 CA LYS A 86 -10.881 3.438 -1.938 1.00 0.00 C ATOM 1363 C LYS A 86 -11.609 3.050 -3.231 1.00 0.00 C ATOM 1364 O LYS A 86 -12.180 1.962 -3.292 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.723 4.384 -1.061 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.128 4.498 0.356 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.047 5.136 1.412 1.00 0.00 C ATOM 1368 CE LYS A 86 -13.340 4.341 1.594 1.00 0.00 C ATOM 1369 NZ LYS A 86 -14.088 4.742 2.814 1.00 0.00 N ATOM 0 H LYS A 86 -9.453 4.986 -1.950 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.740 2.512 -1.380 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.766 5.371 -1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.747 4.015 -1.001 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.851 3.500 0.696 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.209 5.082 0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.520 5.196 2.364 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.287 6.157 1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.975 4.482 0.720 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.104 3.278 1.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.053 4.357 2.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.603 4.371 3.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.132 5.780 2.869 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.513 3.855 -4.297 1.00 0.00 N ATOM 1384 CA LYS A 87 -12.037 3.499 -5.632 1.00 0.00 C ATOM 1385 C LYS A 87 -11.347 2.261 -6.201 1.00 0.00 C ATOM 1386 O LYS A 87 -12.024 1.383 -6.722 1.00 0.00 O ATOM 1387 CB LYS A 87 -11.946 4.701 -6.579 1.00 0.00 C ATOM 1388 CG LYS A 87 -12.593 4.396 -7.938 1.00 0.00 C ATOM 1389 CD LYS A 87 -12.806 5.697 -8.714 1.00 0.00 C ATOM 1390 CE LYS A 87 -13.418 5.407 -10.089 1.00 0.00 C ATOM 1391 NZ LYS A 87 -13.656 6.658 -10.857 1.00 0.00 N ATOM 0 H LYS A 87 -11.070 4.773 -4.263 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.090 3.238 -5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.438 5.561 -6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.900 4.972 -6.725 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.957 3.720 -8.510 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.547 3.889 -7.791 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.462 6.361 -8.150 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.855 6.215 -8.835 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.753 4.754 -10.654 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.359 4.872 -9.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.070 6.424 -11.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.310 7.270 -10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.754 7.156 -10.998 1.00 0.00 H new ATOM 1405 N THR A 88 -10.032 2.135 -6.036 1.00 0.00 N ATOM 1406 CA THR A 88 -9.250 0.966 -6.466 1.00 0.00 C ATOM 1407 C THR A 88 -9.618 -0.297 -5.680 1.00 0.00 C ATOM 1408 O THR A 88 -9.703 -1.375 -6.270 1.00 0.00 O ATOM 1409 CB THR A 88 -7.744 1.252 -6.373 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.414 2.344 -7.202 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.910 0.089 -6.887 1.00 0.00 C ATOM 0 H THR A 88 -9.463 2.855 -5.591 1.00 0.00 H new ATOM 0 HA THR A 88 -9.502 0.777 -7.510 1.00 0.00 H new ATOM 0 HB THR A 88 -7.533 1.441 -5.320 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.464 3.175 -6.684 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.851 0.335 -6.802 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.124 -0.801 -6.296 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.156 -0.101 -7.932 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.924 -0.179 -4.385 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.390 -1.288 -3.559 1.00 0.00 C ATOM 1421 C ALA A 89 -11.798 -1.736 -3.987 1.00 0.00 C ATOM 1422 O ALA A 89 -12.063 -2.934 -4.105 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.357 -0.834 -2.097 1.00 0.00 C ATOM 0 H ALA A 89 -9.853 0.703 -3.877 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.740 -2.154 -3.684 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.701 -1.646 -1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.337 -0.563 -1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.009 0.030 -1.970 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.675 -0.783 -4.322 1.00 0.00 N ATOM 1430 CA GLU A 90 -14.011 -1.066 -4.860 1.00 0.00 C ATOM 1431 C GLU A 90 -13.967 -1.649 -6.287 1.00 0.00 C ATOM 1432 O GLU A 90 -14.794 -2.488 -6.651 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.872 0.209 -4.833 1.00 0.00 C ATOM 1434 CG GLU A 90 -15.321 0.623 -3.425 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.446 -0.288 -2.892 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -17.639 -0.005 -3.164 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -16.150 -1.289 -2.196 1.00 0.00 O ATOM 0 H GLU A 90 -12.477 0.213 -4.227 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.459 -1.826 -4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.307 1.027 -5.279 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.754 0.054 -5.455 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -14.469 0.584 -2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -15.668 1.656 -3.443 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.975 -1.238 -7.080 1.00 0.00 N ATOM 1445 CA ALA A 91 -12.703 -1.703 -8.439 1.00 0.00 C ATOM 1446 C ALA A 91 -11.988 -3.074 -8.501 1.00 0.00 C ATOM 1447 O ALA A 91 -11.839 -3.642 -9.586 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.889 -0.603 -9.137 1.00 0.00 C ATOM 0 H ALA A 91 -12.304 -0.533 -6.773 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.650 -1.877 -8.950 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -11.663 -0.910 -10.158 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -12.467 0.321 -9.155 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.959 -0.439 -8.593 1.00 0.00 H new ATOM 1454 N GLY A 92 -11.545 -3.615 -7.359 1.00 0.00 N ATOM 1455 CA GLY A 92 -10.833 -4.896 -7.270 1.00 0.00 C ATOM 1456 C GLY A 92 -9.371 -4.850 -7.742 1.00 0.00 C ATOM 1457 O GLY A 92 -8.834 -5.882 -8.151 1.00 0.00 O ATOM 0 H GLY A 92 -11.674 -3.165 -6.453 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.856 -5.238 -6.235 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.369 -5.637 -7.863 1.00 0.00 H new ATOM 1461 N GLY A 93 -8.729 -3.678 -7.696 1.00 0.00 N ATOM 1462 CA GLY A 93 -7.318 -3.478 -8.018 1.00 0.00 C ATOM 1463 C GLY A 93 -7.040 -2.852 -9.388 1.00 0.00 C ATOM 1464 O GLY A 93 -7.783 -3.043 -10.353 1.00 0.00 O ATOM 0 H GLY A 93 -9.197 -2.814 -7.423 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.874 -2.844 -7.251 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.811 -4.442 -7.968 1.00 0.00 H new ATOM 1468 N VAL A 94 -5.924 -2.120 -9.462 1.00 0.00 N ATOM 1469 CA VAL A 94 -5.307 -1.613 -10.704 1.00 0.00 C ATOM 1470 C VAL A 94 -3.805 -1.925 -10.721 1.00 0.00 C ATOM 1471 O VAL A 94 -3.123 -1.769 -9.708 1.00 0.00 O ATOM 1472 CB VAL A 94 -5.615 -0.116 -10.923 1.00 0.00 C ATOM 1473 CG1 VAL A 94 -4.850 0.833 -9.991 1.00 0.00 C ATOM 1474 CG2 VAL A 94 -5.332 0.297 -12.373 1.00 0.00 C ATOM 0 H VAL A 94 -5.401 -1.851 -8.629 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.752 -2.134 -11.552 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.675 -0.018 -10.688 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.127 1.863 -10.214 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.101 0.606 -8.955 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.778 0.705 -10.141 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.557 1.356 -12.500 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.282 0.119 -12.604 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.956 -0.290 -13.047 1.00 0.00 H new ATOM 1484 N THR A 95 -3.299 -2.420 -11.853 1.00 0.00 N ATOM 1485 CA THR A 95 -2.044 -3.201 -11.920 1.00 0.00 C ATOM 1486 C THR A 95 -1.028 -2.725 -12.964 1.00 0.00 C ATOM 1487 O THR A 95 0.013 -3.362 -13.149 1.00 0.00 O ATOM 1488 CB THR A 95 -2.366 -4.680 -12.188 1.00 0.00 C ATOM 1489 OG1 THR A 95 -3.160 -4.800 -13.353 1.00 0.00 O ATOM 1490 CG2 THR A 95 -3.147 -5.310 -11.033 1.00 0.00 C ATOM 0 H THR A 95 -3.746 -2.293 -12.761 1.00 0.00 H new ATOM 0 HA THR A 95 -1.571 -3.053 -10.949 1.00 0.00 H new ATOM 0 HB THR A 95 -1.412 -5.195 -12.305 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.359 -5.745 -13.517 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.355 -6.355 -11.262 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.557 -5.249 -10.119 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.087 -4.775 -10.895 1.00 0.00 H new ATOM 1498 N GLY A 96 -1.296 -1.615 -13.655 1.00 0.00 N ATOM 1499 CA GLY A 96 -0.464 -1.131 -14.760 1.00 0.00 C ATOM 1500 C GLY A 96 -0.642 0.359 -15.079 1.00 0.00 C ATOM 1501 O GLY A 96 -1.310 1.090 -14.342 1.00 0.00 O ATOM 0 H GLY A 96 -2.103 -1.022 -13.462 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.583 -1.316 -14.519 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.693 -1.712 -15.653 1.00 0.00 H new ATOM 1505 N LYS A 97 -0.026 0.807 -16.185 1.00 0.00 N ATOM 1506 CA LYS A 97 -0.012 2.203 -16.686 1.00 0.00 C ATOM 1507 C LYS A 97 0.543 3.251 -15.695 1.00 0.00 C ATOM 1508 O LYS A 97 0.234 4.441 -15.804 1.00 0.00 O ATOM 1509 CB LYS A 97 -1.389 2.593 -17.265 1.00 0.00 C ATOM 1510 CG LYS A 97 -1.877 1.646 -18.376 1.00 0.00 C ATOM 1511 CD LYS A 97 -3.205 2.134 -18.971 1.00 0.00 C ATOM 1512 CE LYS A 97 -3.672 1.177 -20.075 1.00 0.00 C ATOM 1513 NZ LYS A 97 -4.955 1.623 -20.679 1.00 0.00 N ATOM 0 H LYS A 97 0.504 0.179 -16.789 1.00 0.00 H new ATOM 0 HA LYS A 97 0.716 2.217 -17.497 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.123 2.604 -16.459 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.334 3.607 -17.661 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.124 1.583 -19.162 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.002 0.641 -17.973 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.962 2.196 -18.189 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.083 3.138 -19.377 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.907 1.113 -20.849 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.792 0.175 -19.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.241 0.953 -21.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.690 1.660 -19.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.833 2.569 -21.095 1.00 0.00 H new ATOM 1527 N GLY A 98 1.359 2.823 -14.729 1.00 0.00 N ATOM 1528 CA GLY A 98 1.994 3.698 -13.735 1.00 0.00 C ATOM 1529 C GLY A 98 3.191 4.497 -14.278 1.00 0.00 C ATOM 1530 O GLY A 98 3.725 4.201 -15.351 1.00 0.00 O ATOM 0 H GLY A 98 1.603 1.840 -14.612 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.249 4.395 -13.351 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.327 3.092 -12.893 1.00 0.00 H new ATOM 1534 N GLN A 99 3.626 5.507 -13.518 1.00 0.00 N ATOM 1535 CA GLN A 99 4.780 6.359 -13.846 1.00 0.00 C ATOM 1536 C GLN A 99 6.123 5.714 -13.445 1.00 0.00 C ATOM 1537 O GLN A 99 6.188 4.888 -12.531 1.00 0.00 O ATOM 1538 CB GLN A 99 4.617 7.745 -13.193 1.00 0.00 C ATOM 1539 CG GLN A 99 3.385 8.530 -13.683 1.00 0.00 C ATOM 1540 CD GLN A 99 3.427 8.836 -15.180 1.00 0.00 C ATOM 1541 OE1 GLN A 99 2.755 8.212 -15.992 1.00 0.00 O ATOM 1542 NE2 GLN A 99 4.223 9.793 -15.612 1.00 0.00 N ATOM 0 H GLN A 99 3.178 5.763 -12.638 1.00 0.00 H new ATOM 0 HA GLN A 99 4.803 6.476 -14.929 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.549 7.620 -12.112 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.512 8.335 -13.390 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.484 7.958 -13.460 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.313 9.466 -13.129 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.790 10.323 -14.950 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.272 10.004 -16.609 1.00 0.00 H new ATOM 1551 N ASP A 100 7.207 6.108 -14.119 1.00 0.00 N ATOM 1552 CA ASP A 100 8.567 5.601 -13.878 1.00 0.00 C ATOM 1553 C ASP A 100 9.252 6.259 -12.660 1.00 0.00 C ATOM 1554 O ASP A 100 9.128 7.467 -12.434 1.00 0.00 O ATOM 1555 CB ASP A 100 9.398 5.785 -15.158 1.00 0.00 C ATOM 1556 CG ASP A 100 10.827 5.234 -15.011 1.00 0.00 C ATOM 1557 OD1 ASP A 100 10.979 4.026 -14.710 1.00 0.00 O ATOM 1558 OD2 ASP A 100 11.799 6.005 -15.193 1.00 0.00 O ATOM 0 H ASP A 100 7.166 6.803 -14.864 1.00 0.00 H new ATOM 0 HA ASP A 100 8.496 4.542 -13.631 1.00 0.00 H new ATOM 0 HB2 ASP A 100 8.900 5.282 -15.987 1.00 0.00 H new ATOM 0 HB3 ASP A 100 9.444 6.845 -15.410 1.00 0.00 H new ATOM 1563 N GLY A 101 10.008 5.467 -11.892 1.00 0.00 N ATOM 1564 CA GLY A 101 10.818 5.914 -10.751 1.00 0.00 C ATOM 1565 C GLY A 101 11.330 4.745 -9.900 1.00 0.00 C ATOM 1566 O GLY A 101 10.614 3.761 -9.701 1.00 0.00 O ATOM 0 H GLY A 101 10.076 4.462 -12.052 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.667 6.492 -11.116 1.00 0.00 H new ATOM 0 HA3 GLY A 101 10.223 6.581 -10.126 1.00 0.00 H new ATOM 1570 N ILE A 102 12.567 4.843 -9.396 1.00 0.00 N ATOM 1571 CA ILE A 102 13.237 3.773 -8.634 1.00 0.00 C ATOM 1572 C ILE A 102 14.184 4.329 -7.554 1.00 0.00 C ATOM 1573 O ILE A 102 15.044 5.163 -7.838 1.00 0.00 O ATOM 1574 CB ILE A 102 13.949 2.789 -9.603 1.00 0.00 C ATOM 1575 CG1 ILE A 102 14.491 1.562 -8.837 1.00 0.00 C ATOM 1576 CG2 ILE A 102 15.050 3.453 -10.453 1.00 0.00 C ATOM 1577 CD1 ILE A 102 15.054 0.451 -9.733 1.00 0.00 C ATOM 0 H ILE A 102 13.142 5.679 -9.506 1.00 0.00 H new ATOM 0 HA ILE A 102 12.474 3.214 -8.092 1.00 0.00 H new ATOM 0 HB ILE A 102 13.192 2.453 -10.311 1.00 0.00 H new ATOM 0 HG12 ILE A 102 15.274 1.892 -8.154 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.689 1.147 -8.226 1.00 0.00 H new ATOM 0 HG21 ILE A 102 15.504 2.708 -11.106 1.00 0.00 H new ATOM 0 HG22 ILE A 102 14.613 4.248 -11.058 1.00 0.00 H new ATOM 0 HG23 ILE A 102 15.812 3.874 -9.797 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.412 -0.370 -9.112 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.271 0.088 -10.399 1.00 0.00 H new ATOM 0 HD13 ILE A 102 15.880 0.845 -10.325 1.00 0.00 H new ATOM 1589 N GLY A 103 14.033 3.842 -6.318 1.00 0.00 N ATOM 1590 CA GLY A 103 15.000 3.895 -5.203 1.00 0.00 C ATOM 1591 C GLY A 103 15.415 5.255 -4.605 1.00 0.00 C ATOM 1592 O GLY A 103 15.831 5.292 -3.449 1.00 0.00 O ATOM 0 H GLY A 103 13.173 3.366 -6.045 1.00 0.00 H new ATOM 0 HA2 GLY A 103 14.591 3.295 -4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 103 15.910 3.398 -5.539 1.00 0.00 H new ATOM 1596 N SER A 104 15.324 6.366 -5.347 1.00 0.00 N ATOM 1597 CA SER A 104 15.817 7.706 -4.956 1.00 0.00 C ATOM 1598 C SER A 104 17.281 7.723 -4.474 1.00 0.00 C ATOM 1599 O SER A 104 17.630 8.404 -3.507 1.00 0.00 O ATOM 1600 CB SER A 104 14.860 8.388 -3.972 1.00 0.00 C ATOM 1601 OG SER A 104 13.586 8.532 -4.572 1.00 0.00 O ATOM 0 H SER A 104 14.891 6.363 -6.270 1.00 0.00 H new ATOM 0 HA SER A 104 15.827 8.300 -5.870 1.00 0.00 H new ATOM 0 HB2 SER A 104 14.779 7.797 -3.059 1.00 0.00 H new ATOM 0 HB3 SER A 104 15.251 9.364 -3.686 1.00 0.00 H new ATOM 0 HG SER A 104 13.208 9.404 -4.333 1.00 0.00 H new ATOM 1607 N LYS A 105 18.155 6.983 -5.173 1.00 0.00 N ATOM 1608 CA LYS A 105 19.573 6.737 -4.821 1.00 0.00 C ATOM 1609 C LYS A 105 20.470 7.993 -4.818 1.00 0.00 C ATOM 1610 O LYS A 105 21.620 7.935 -4.378 1.00 0.00 O ATOM 1611 CB LYS A 105 20.100 5.627 -5.758 1.00 0.00 C ATOM 1612 CG LYS A 105 21.440 4.975 -5.372 1.00 0.00 C ATOM 1613 CD LYS A 105 21.420 4.319 -3.982 1.00 0.00 C ATOM 1614 CE LYS A 105 22.696 3.494 -3.768 1.00 0.00 C ATOM 1615 NZ LYS A 105 22.690 2.805 -2.450 1.00 0.00 N ATOM 0 H LYS A 105 17.886 6.516 -6.039 1.00 0.00 H new ATOM 0 HA LYS A 105 19.616 6.414 -3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 105 19.345 4.843 -5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 105 20.201 6.046 -6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 105 21.698 4.223 -6.117 1.00 0.00 H new ATOM 0 HG3 LYS A 105 22.225 5.731 -5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 105 21.340 5.085 -3.211 1.00 0.00 H new ATOM 0 HD3 LYS A 105 20.543 3.678 -3.887 1.00 0.00 H new ATOM 0 HE2 LYS A 105 22.790 2.756 -4.564 1.00 0.00 H new ATOM 0 HE3 LYS A 105 23.567 4.146 -3.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 23.567 2.257 -2.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 22.625 3.511 -1.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 21.873 2.164 -2.397 1.00 0.00 H new ATOM 1629 N ALA A 106 19.951 9.141 -5.258 1.00 0.00 N ATOM 1630 CA ALA A 106 20.583 10.450 -5.068 1.00 0.00 C ATOM 1631 C ALA A 106 20.729 10.835 -3.577 1.00 0.00 C ATOM 1632 O ALA A 106 21.651 11.570 -3.223 1.00 0.00 O ATOM 1633 CB ALA A 106 19.763 11.491 -5.841 1.00 0.00 C ATOM 0 H ALA A 106 19.067 9.189 -5.764 1.00 0.00 H new ATOM 0 HA ALA A 106 21.601 10.410 -5.454 1.00 0.00 H new ATOM 0 HB1 ALA A 106 20.214 12.475 -5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 106 19.749 11.231 -6.899 1.00 0.00 H new ATOM 0 HB3 ALA A 106 18.743 11.508 -5.458 1.00 0.00 H new ATOM 1639 N GLU A 107 19.875 10.297 -2.695 1.00 0.00 N ATOM 1640 CA GLU A 107 20.080 10.288 -1.240 1.00 0.00 C ATOM 1641 C GLU A 107 20.642 8.932 -0.771 1.00 0.00 C ATOM 1642 O GLU A 107 20.258 7.873 -1.283 1.00 0.00 O ATOM 1643 CB GLU A 107 18.783 10.644 -0.496 1.00 0.00 C ATOM 1644 CG GLU A 107 18.402 12.123 -0.672 1.00 0.00 C ATOM 1645 CD GLU A 107 17.162 12.504 0.161 1.00 0.00 C ATOM 1646 OE1 GLU A 107 17.154 12.302 1.399 1.00 0.00 O ATOM 1647 OE2 GLU A 107 16.175 13.037 -0.402 1.00 0.00 O ATOM 0 H GLU A 107 19.005 9.847 -2.979 1.00 0.00 H new ATOM 0 HA GLU A 107 20.818 11.054 -0.999 1.00 0.00 H new ATOM 0 HB2 GLU A 107 17.971 10.015 -0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.902 10.425 0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 107 19.243 12.751 -0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 107 18.207 12.324 -1.725 1.00 0.00 H new ATOM 1654 N LYS A 108 21.564 8.967 0.203 1.00 0.00 N ATOM 1655 CA LYS A 108 22.333 7.814 0.711 1.00 0.00 C ATOM 1656 C LYS A 108 22.448 7.834 2.242 1.00 0.00 C ATOM 1657 O LYS A 108 22.247 6.767 2.864 1.00 0.00 O ATOM 1658 CB LYS A 108 23.731 7.785 0.060 1.00 0.00 C ATOM 1659 CG LYS A 108 23.699 7.538 -1.459 1.00 0.00 C ATOM 1660 CD LYS A 108 25.122 7.534 -2.041 1.00 0.00 C ATOM 1661 CE LYS A 108 25.162 7.199 -3.540 1.00 0.00 C ATOM 1662 NZ LYS A 108 24.450 8.203 -4.374 1.00 0.00 N ATOM 1663 OXT LYS A 108 22.735 8.912 2.813 1.00 0.00 O ATOM 0 H LYS A 108 21.807 9.835 0.680 1.00 0.00 H new ATOM 0 HA LYS A 108 21.794 6.906 0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 108 24.233 8.733 0.255 1.00 0.00 H new ATOM 0 HB3 LYS A 108 24.327 7.005 0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 108 23.213 6.585 -1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 108 23.104 8.311 -1.945 1.00 0.00 H new ATOM 0 HD2 LYS A 108 25.575 8.512 -1.882 1.00 0.00 H new ATOM 0 HD3 LYS A 108 25.728 6.809 -1.497 1.00 0.00 H new ATOM 0 HE2 LYS A 108 26.200 7.134 -3.865 1.00 0.00 H new ATOM 0 HE3 LYS A 108 24.715 6.218 -3.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 24.754 8.111 -5.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 23.424 8.042 -4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 24.672 9.159 -4.031 1.00 0.00 H new TER 1677 LYS A 108 HETATM 1678 ZN ZN A 109 6.842 -2.631 -7.921 1.00 0.00 ZN