USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 MET CE :methyl -128:sc= -3.03 (180deg=-6.24!) USER MOD Set 1.2: A 70 SER OG : rot -150:sc= 0.00663 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.244 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= -0.665 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ -137:sc= 0.0464 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= -0.0172 (180deg=-0.146) USER MOD Single : A 23 HIS : no HE2:sc= -1.12 K(o=-1.1,f=-3.4!) USER MOD Single : A 33 THR OG1 : rot -160:sc= -0.84 USER MOD Single : A 36 GLN : amide:sc= -0.107 K(o=-0.11,f=-0.78) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -1.38 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -10.1! C(o=-10!,f=-9.8!) USER MOD Single : A 66 ASN : amide:sc= -1.92! C(o=-1.9!,f=-1.3!) USER MOD Single : A 68 ASN : amide:sc= -0.43 K(o=-0.43,f=-2.9) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.03 K(o=-1,f=-2.8!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -6.163 18.435 11.575 1.00 0.00 N ATOM 2 CA GLY A -2 -6.120 18.814 10.135 1.00 0.00 C ATOM 3 C GLY A -2 -6.348 17.632 9.215 1.00 0.00 C ATOM 4 O GLY A -2 -6.931 16.624 9.618 1.00 0.00 O ATOM 0 H1 GLY A -2 -6.706 19.146 12.105 1.00 0.00 H new ATOM 0 H2 GLY A -2 -6.619 17.506 11.676 1.00 0.00 H new ATOM 0 H3 GLY A -2 -5.194 18.388 11.951 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -6.878 19.573 9.940 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -5.153 19.264 9.910 1.00 0.00 H new ATOM 10 N SER A -1 -5.890 17.755 7.972 1.00 0.00 N ATOM 11 CA SER A -1 -6.049 16.688 6.988 1.00 0.00 C ATOM 12 C SER A -1 -4.739 16.420 6.254 1.00 0.00 C ATOM 13 O SER A -1 -4.379 15.270 6.003 1.00 0.00 O ATOM 14 CB SER A -1 -7.150 17.053 5.988 1.00 0.00 C ATOM 15 OG SER A -1 -8.111 16.017 5.886 1.00 0.00 O ATOM 0 H SER A -1 -5.406 18.582 7.622 1.00 0.00 H new ATOM 0 HA SER A -1 -6.334 15.778 7.516 1.00 0.00 H new ATOM 0 HB2 SER A -1 -7.638 17.976 6.301 1.00 0.00 H new ATOM 0 HB3 SER A -1 -6.709 17.241 5.009 1.00 0.00 H new ATOM 0 HG SER A -1 -8.804 16.276 5.243 1.00 0.00 H new ATOM 21 N THR A 3 -4.026 17.489 5.907 1.00 0.00 N ATOM 22 CA THR A 3 -2.758 17.367 5.199 1.00 0.00 C ATOM 23 C THR A 3 -2.975 16.817 3.794 1.00 0.00 C ATOM 24 O THR A 3 -3.763 15.894 3.592 1.00 0.00 O ATOM 25 CB THR A 3 -1.797 16.461 5.972 1.00 0.00 C ATOM 26 OG1 THR A 3 -2.097 16.473 7.357 1.00 0.00 O ATOM 27 CG2 THR A 3 -0.344 16.855 5.814 1.00 0.00 C ATOM 0 H THR A 3 -4.307 18.449 6.106 1.00 0.00 H new ATOM 0 HA THR A 3 -2.318 18.361 5.120 1.00 0.00 H new ATOM 0 HB THR A 3 -1.936 15.467 5.547 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.472 15.886 7.832 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.283 16.172 6.387 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.066 16.805 4.761 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.201 17.872 6.179 1.00 0.00 H new ATOM 35 N THR A 4 -2.269 17.390 2.824 1.00 0.00 N ATOM 36 CA THR A 4 -2.383 16.959 1.436 1.00 0.00 C ATOM 37 C THR A 4 -1.170 16.132 1.022 1.00 0.00 C ATOM 38 O THR A 4 -0.053 16.644 0.947 1.00 0.00 O ATOM 39 CB THR A 4 -2.526 18.172 0.514 1.00 0.00 C ATOM 40 OG1 THR A 4 -2.362 17.794 -0.842 1.00 0.00 O ATOM 41 CG2 THR A 4 -1.527 19.269 0.807 1.00 0.00 C ATOM 0 H THR A 4 -1.611 18.155 2.975 1.00 0.00 H new ATOM 0 HA THR A 4 -3.273 16.336 1.347 1.00 0.00 H new ATOM 0 HB THR A 4 -3.529 18.557 0.699 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.458 18.583 -1.415 1.00 0.00 H new ATOM 0 HG21 THR A 4 -1.684 20.098 0.117 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.660 19.618 1.831 1.00 0.00 H new ATOM 0 HG23 THR A 4 -0.515 18.882 0.684 1.00 0.00 H new ATOM 49 N LYS A 5 -1.396 14.849 0.758 1.00 0.00 N ATOM 50 CA LYS A 5 -0.321 13.950 0.355 1.00 0.00 C ATOM 51 C LYS A 5 -0.747 13.080 -0.823 1.00 0.00 C ATOM 52 O LYS A 5 -1.896 13.129 -1.264 1.00 0.00 O ATOM 53 CB LYS A 5 0.098 13.063 1.532 1.00 0.00 C ATOM 54 CG LYS A 5 1.425 13.465 2.161 1.00 0.00 C ATOM 55 CD LYS A 5 2.604 12.830 1.436 1.00 0.00 C ATOM 56 CE LYS A 5 3.534 13.877 0.845 1.00 0.00 C ATOM 57 NZ LYS A 5 4.572 14.314 1.818 1.00 0.00 N ATOM 0 H LYS A 5 -2.314 14.409 0.816 1.00 0.00 H new ATOM 0 HA LYS A 5 0.528 14.559 0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.680 13.096 2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.166 12.030 1.191 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.525 14.550 2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.437 13.165 3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.160 12.200 2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.235 12.181 0.641 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.018 13.472 -0.044 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.951 14.740 0.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.185 15.028 1.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.112 14.724 2.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.146 13.495 2.105 1.00 0.00 H new ATOM 71 N ARG A 6 0.187 12.278 -1.320 1.00 0.00 N ATOM 72 CA ARG A 6 -0.077 11.384 -2.438 1.00 0.00 C ATOM 73 C ARG A 6 0.397 9.970 -2.115 1.00 0.00 C ATOM 74 O ARG A 6 0.263 9.059 -2.933 1.00 0.00 O ATOM 75 CB ARG A 6 0.621 11.895 -3.703 1.00 0.00 C ATOM 76 CG ARG A 6 -0.336 12.468 -4.736 1.00 0.00 C ATOM 77 CD ARG A 6 0.354 13.468 -5.652 1.00 0.00 C ATOM 78 NE ARG A 6 -0.346 14.751 -5.686 1.00 0.00 N ATOM 79 CZ ARG A 6 0.181 15.906 -5.276 1.00 0.00 C ATOM 80 NH1 ARG A 6 1.417 15.958 -4.792 1.00 0.00 N ATOM 81 NH2 ARG A 6 -0.536 17.021 -5.346 1.00 0.00 N ATOM 0 H ARG A 6 1.141 12.230 -0.962 1.00 0.00 H new ATOM 0 HA ARG A 6 -1.153 11.360 -2.613 1.00 0.00 H new ATOM 0 HB2 ARG A 6 1.344 12.662 -3.425 1.00 0.00 H new ATOM 0 HB3 ARG A 6 1.182 11.077 -4.154 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.755 11.658 -5.333 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.169 12.954 -4.229 1.00 0.00 H new ATOM 0 HD2 ARG A 6 1.379 13.623 -5.314 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.409 13.058 -6.660 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.300 14.764 -6.047 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.977 15.107 -4.730 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.806 16.848 -4.482 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.487 16.993 -5.713 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.135 17.905 -5.033 1.00 0.00 H new ATOM 95 N VAL A 7 0.953 9.788 -0.915 1.00 0.00 N ATOM 96 CA VAL A 7 1.442 8.485 -0.494 1.00 0.00 C ATOM 97 C VAL A 7 0.585 7.917 0.632 1.00 0.00 C ATOM 98 O VAL A 7 0.498 8.499 1.712 1.00 0.00 O ATOM 99 CB VAL A 7 2.916 8.535 -0.020 1.00 0.00 C ATOM 100 CG1 VAL A 7 3.851 8.037 -1.111 1.00 0.00 C ATOM 101 CG2 VAL A 7 3.304 9.939 0.420 1.00 0.00 C ATOM 0 H VAL A 7 1.073 10.528 -0.223 1.00 0.00 H new ATOM 0 HA VAL A 7 1.380 7.840 -1.370 1.00 0.00 H new ATOM 0 HB VAL A 7 3.012 7.874 0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.881 8.081 -0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.598 7.007 -1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.745 8.665 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.344 9.943 0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.184 10.628 -0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.663 10.252 1.244 1.00 0.00 H new ATOM 111 N LEU A 8 -0.038 6.771 0.375 1.00 0.00 N ATOM 112 CA LEU A 8 -0.877 6.122 1.375 1.00 0.00 C ATOM 113 C LEU A 8 -0.182 4.882 1.928 1.00 0.00 C ATOM 114 O LEU A 8 0.667 4.292 1.261 1.00 0.00 O ATOM 115 CB LEU A 8 -2.233 5.738 0.780 1.00 0.00 C ATOM 116 CG LEU A 8 -2.893 6.809 -0.088 1.00 0.00 C ATOM 117 CD1 LEU A 8 -4.265 6.342 -0.554 1.00 0.00 C ATOM 118 CD2 LEU A 8 -3.004 8.120 0.676 1.00 0.00 C ATOM 0 H LEU A 8 0.022 6.275 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.042 6.829 2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.106 4.836 0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.911 5.486 1.596 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.270 6.977 -0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.722 7.115 -1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.159 5.428 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.897 6.148 0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.476 8.871 0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.607 7.969 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.009 8.460 0.962 1.00 0.00 H new ATOM 130 N TYR A 9 -0.544 4.488 3.145 1.00 0.00 N ATOM 131 CA TYR A 9 0.056 3.310 3.771 1.00 0.00 C ATOM 132 C TYR A 9 -0.963 2.187 3.904 1.00 0.00 C ATOM 133 O TYR A 9 -2.100 2.418 4.300 1.00 0.00 O ATOM 134 CB TYR A 9 0.619 3.660 5.151 1.00 0.00 C ATOM 135 CG TYR A 9 1.507 2.577 5.727 1.00 0.00 C ATOM 136 CD1 TYR A 9 0.986 1.336 6.075 1.00 0.00 C ATOM 137 CD2 TYR A 9 2.867 2.793 5.913 1.00 0.00 C ATOM 138 CE1 TYR A 9 1.796 0.343 6.593 1.00 0.00 C ATOM 139 CE2 TYR A 9 3.681 1.803 6.429 1.00 0.00 C ATOM 140 CZ TYR A 9 3.142 0.581 6.768 1.00 0.00 C ATOM 141 OH TYR A 9 3.950 -0.404 7.282 1.00 0.00 O ATOM 0 H TYR A 9 -1.244 4.962 3.716 1.00 0.00 H new ATOM 0 HA TYR A 9 0.870 2.971 3.130 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.188 4.587 5.079 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.208 3.846 5.837 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.068 1.145 5.938 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.294 3.749 5.650 1.00 0.00 H new ATOM 0 HE1 TYR A 9 1.376 -0.616 6.860 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.736 1.986 6.566 1.00 0.00 H new ATOM 0 HH TYR A 9 4.871 -0.074 7.340 1.00 0.00 H new ATOM 151 N VAL A 10 -0.545 0.966 3.579 1.00 0.00 N ATOM 152 CA VAL A 10 -1.429 -0.192 3.670 1.00 0.00 C ATOM 153 C VAL A 10 -1.020 -1.097 4.828 1.00 0.00 C ATOM 154 O VAL A 10 0.124 -1.546 4.903 1.00 0.00 O ATOM 155 CB VAL A 10 -1.425 -1.012 2.363 1.00 0.00 C ATOM 156 CG1 VAL A 10 -2.430 -2.156 2.437 1.00 0.00 C ATOM 157 CG2 VAL A 10 -1.715 -0.114 1.167 1.00 0.00 C ATOM 0 H VAL A 10 0.397 0.754 3.251 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.436 0.189 3.843 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.432 -1.444 2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.409 -2.720 1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.170 -2.815 3.265 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.430 -1.752 2.594 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.708 -0.710 0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.693 0.351 1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.951 0.661 1.100 1.00 0.00 H new ATOM 167 N GLY A 11 -1.961 -1.356 5.734 1.00 0.00 N ATOM 168 CA GLY A 11 -1.675 -2.201 6.883 1.00 0.00 C ATOM 169 C GLY A 11 -2.624 -3.382 7.004 1.00 0.00 C ATOM 170 O GLY A 11 -3.825 -3.203 7.206 1.00 0.00 O ATOM 0 H GLY A 11 -2.915 -0.997 5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.652 -2.570 6.810 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.733 -1.601 7.791 1.00 0.00 H new ATOM 174 N GLY A 12 -2.082 -4.591 6.876 1.00 0.00 N ATOM 175 CA GLY A 12 -2.892 -5.793 6.969 1.00 0.00 C ATOM 176 C GLY A 12 -2.796 -6.604 5.700 1.00 0.00 C ATOM 177 O GLY A 12 -3.805 -7.028 5.136 1.00 0.00 O ATOM 0 H GLY A 12 -1.090 -4.759 6.709 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.562 -6.394 7.816 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.931 -5.523 7.155 1.00 0.00 H new ATOM 181 N LEU A 13 -1.568 -6.785 5.232 1.00 0.00 N ATOM 182 CA LEU A 13 -1.312 -7.505 4.001 1.00 0.00 C ATOM 183 C LEU A 13 -0.817 -8.928 4.244 1.00 0.00 C ATOM 184 O LEU A 13 -0.710 -9.389 5.381 1.00 0.00 O ATOM 185 CB LEU A 13 -0.259 -6.757 3.194 1.00 0.00 C ATOM 186 CG LEU A 13 -0.725 -5.478 2.501 1.00 0.00 C ATOM 187 CD1 LEU A 13 0.441 -4.802 1.791 1.00 0.00 C ATOM 188 CD2 LEU A 13 -1.848 -5.781 1.519 1.00 0.00 C ATOM 0 H LEU A 13 -0.728 -6.437 5.695 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.257 -7.568 3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.567 -6.505 3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.136 -7.433 2.436 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.109 -4.795 3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.092 -3.892 1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.213 -4.550 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.854 -5.479 1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.167 -4.858 1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.492 -6.482 0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.690 -6.220 2.054 1.00 0.00 H new ATOM 200 N ALA A 14 -0.491 -9.598 3.141 1.00 0.00 N ATOM 201 CA ALA A 14 0.029 -10.957 3.169 1.00 0.00 C ATOM 202 C ALA A 14 1.226 -11.064 2.227 1.00 0.00 C ATOM 203 O ALA A 14 1.691 -10.057 1.693 1.00 0.00 O ATOM 204 CB ALA A 14 -1.057 -11.949 2.775 1.00 0.00 C ATOM 0 H ALA A 14 -0.581 -9.210 2.202 1.00 0.00 H new ATOM 0 HA ALA A 14 0.353 -11.197 4.182 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.652 -12.961 2.801 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.890 -11.873 3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.407 -11.724 1.768 1.00 0.00 H new ATOM 210 N GLU A 15 1.727 -12.276 2.022 1.00 0.00 N ATOM 211 CA GLU A 15 2.870 -12.484 1.138 1.00 0.00 C ATOM 212 C GLU A 15 2.437 -12.582 -0.328 1.00 0.00 C ATOM 213 O GLU A 15 3.250 -12.881 -1.202 1.00 0.00 O ATOM 214 CB GLU A 15 3.624 -13.753 1.544 1.00 0.00 C ATOM 215 CG GLU A 15 4.796 -13.491 2.475 1.00 0.00 C ATOM 216 CD GLU A 15 5.608 -14.740 2.755 1.00 0.00 C ATOM 217 OE1 GLU A 15 5.049 -15.692 3.339 1.00 0.00 O ATOM 218 OE2 GLU A 15 6.802 -14.766 2.389 1.00 0.00 O ATOM 0 H GLU A 15 1.363 -13.126 2.453 1.00 0.00 H new ATOM 0 HA GLU A 15 3.529 -11.621 1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.930 -14.438 2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.988 -14.252 0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.443 -12.733 2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.424 -13.085 3.416 1.00 0.00 H new ATOM 225 N GLU A 16 1.153 -12.343 -0.591 1.00 0.00 N ATOM 226 CA GLU A 16 0.617 -12.420 -1.949 1.00 0.00 C ATOM 227 C GLU A 16 0.514 -11.036 -2.591 1.00 0.00 C ATOM 228 O GLU A 16 0.462 -10.911 -3.816 1.00 0.00 O ATOM 229 CB GLU A 16 -0.766 -13.083 -1.933 1.00 0.00 C ATOM 230 CG GLU A 16 -1.057 -13.858 -0.658 1.00 0.00 C ATOM 231 CD GLU A 16 -2.304 -14.714 -0.762 1.00 0.00 C ATOM 232 OE1 GLU A 16 -2.727 -15.012 -1.898 1.00 0.00 O ATOM 233 OE2 GLU A 16 -2.859 -15.085 0.295 1.00 0.00 O ATOM 0 H GLU A 16 0.464 -12.094 0.119 1.00 0.00 H new ATOM 0 HA GLU A 16 1.306 -13.021 -2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.529 -12.315 -2.063 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.845 -13.759 -2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.204 -14.494 -0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.171 -13.158 0.169 1.00 0.00 H new ATOM 240 N VAL A 17 0.470 -10.001 -1.758 1.00 0.00 N ATOM 241 CA VAL A 17 0.358 -8.633 -2.229 1.00 0.00 C ATOM 242 C VAL A 17 1.709 -8.076 -2.643 1.00 0.00 C ATOM 243 O VAL A 17 2.755 -8.493 -2.145 1.00 0.00 O ATOM 244 CB VAL A 17 -0.228 -7.724 -1.135 1.00 0.00 C ATOM 245 CG1 VAL A 17 0.739 -7.624 0.032 1.00 0.00 C ATOM 246 CG2 VAL A 17 -0.548 -6.344 -1.687 1.00 0.00 C ATOM 0 H VAL A 17 0.511 -10.090 -0.743 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.306 -8.650 -3.094 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.160 -8.166 -0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.315 -6.978 0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.913 -8.617 0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.684 -7.205 -0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.961 -5.721 -0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.363 -5.885 -2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.276 -6.434 -2.493 1.00 0.00 H new ATOM 256 N ASP A 18 1.665 -7.123 -3.551 1.00 0.00 N ATOM 257 CA ASP A 18 2.861 -6.476 -4.049 1.00 0.00 C ATOM 258 C ASP A 18 2.499 -5.184 -4.762 1.00 0.00 C ATOM 259 O ASP A 18 1.329 -4.809 -4.843 1.00 0.00 O ATOM 260 CB ASP A 18 3.628 -7.409 -4.992 1.00 0.00 C ATOM 261 CG ASP A 18 4.789 -8.106 -4.306 1.00 0.00 C ATOM 262 OD1 ASP A 18 5.158 -7.687 -3.189 1.00 0.00 O ATOM 263 OD2 ASP A 18 5.329 -9.069 -4.888 1.00 0.00 O ATOM 0 H ASP A 18 0.800 -6.775 -3.964 1.00 0.00 H new ATOM 0 HA ASP A 18 3.506 -6.241 -3.202 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.944 -8.158 -5.392 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.003 -6.835 -5.839 1.00 0.00 H new ATOM 268 N ASP A 19 3.506 -4.515 -5.287 1.00 0.00 N ATOM 269 CA ASP A 19 3.303 -3.270 -6.003 1.00 0.00 C ATOM 270 C ASP A 19 2.471 -3.510 -7.252 1.00 0.00 C ATOM 271 O ASP A 19 1.759 -2.624 -7.725 1.00 0.00 O ATOM 272 CB ASP A 19 4.649 -2.650 -6.383 1.00 0.00 C ATOM 273 CG ASP A 19 5.581 -3.649 -7.038 1.00 0.00 C ATOM 274 OD1 ASP A 19 5.302 -4.057 -8.184 1.00 0.00 O ATOM 275 OD2 ASP A 19 6.589 -4.027 -6.402 1.00 0.00 O ATOM 0 H ASP A 19 4.479 -4.815 -5.231 1.00 0.00 H new ATOM 0 HA ASP A 19 2.769 -2.579 -5.351 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.482 -1.814 -7.062 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.125 -2.245 -5.490 1.00 0.00 H new ATOM 280 N LYS A 20 2.596 -4.715 -7.791 1.00 0.00 N ATOM 281 CA LYS A 20 1.893 -5.106 -9.003 1.00 0.00 C ATOM 282 C LYS A 20 0.381 -5.183 -8.797 1.00 0.00 C ATOM 283 O LYS A 20 -0.391 -4.639 -9.586 1.00 0.00 O ATOM 284 CB LYS A 20 2.430 -6.461 -9.464 1.00 0.00 C ATOM 285 CG LYS A 20 2.005 -7.625 -8.580 1.00 0.00 C ATOM 286 CD LYS A 20 2.855 -8.864 -8.827 1.00 0.00 C ATOM 287 CE LYS A 20 1.995 -10.099 -9.041 1.00 0.00 C ATOM 288 NZ LYS A 20 1.206 -10.013 -10.301 1.00 0.00 N ATOM 0 H LYS A 20 3.188 -5.448 -7.400 1.00 0.00 H new ATOM 0 HA LYS A 20 2.070 -4.345 -9.763 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.090 -6.648 -10.483 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.519 -6.418 -9.494 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.084 -7.333 -7.533 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.957 -7.860 -8.768 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.487 -8.704 -9.701 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.519 -9.025 -7.978 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.631 -10.984 -9.070 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.318 -10.221 -8.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.893 -10.965 -10.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.375 -9.406 -10.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.798 -9.608 -11.054 1.00 0.00 H new ATOM 302 N VAL A 21 -0.034 -5.856 -7.732 1.00 0.00 N ATOM 303 CA VAL A 21 -1.452 -5.994 -7.429 1.00 0.00 C ATOM 304 C VAL A 21 -2.017 -4.671 -6.948 1.00 0.00 C ATOM 305 O VAL A 21 -3.095 -4.246 -7.366 1.00 0.00 O ATOM 306 CB VAL A 21 -1.707 -7.096 -6.383 1.00 0.00 C ATOM 307 CG1 VAL A 21 -1.492 -6.580 -4.977 1.00 0.00 C ATOM 308 CG2 VAL A 21 -3.107 -7.673 -6.538 1.00 0.00 C ATOM 0 H VAL A 21 0.588 -6.313 -7.066 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.960 -6.287 -8.348 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.986 -7.894 -6.558 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.680 -7.382 -4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.465 -6.232 -4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.177 -5.754 -4.784 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.266 -8.449 -5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.844 -6.882 -6.402 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.216 -8.102 -7.534 1.00 0.00 H new ATOM 318 N LEU A 22 -1.265 -4.020 -6.070 1.00 0.00 N ATOM 319 CA LEU A 22 -1.671 -2.735 -5.528 1.00 0.00 C ATOM 320 C LEU A 22 -1.810 -1.732 -6.661 1.00 0.00 C ATOM 321 O LEU A 22 -2.682 -0.864 -6.636 1.00 0.00 O ATOM 322 CB LEU A 22 -0.654 -2.242 -4.496 1.00 0.00 C ATOM 323 CG LEU A 22 -0.764 -2.915 -3.125 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.615 -3.250 -2.571 1.00 0.00 C ATOM 325 CD2 LEU A 22 -1.530 -2.037 -2.146 1.00 0.00 C ATOM 0 H LEU A 22 -0.371 -4.363 -5.719 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.633 -2.845 -5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.350 -2.405 -4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.776 -1.166 -4.370 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.317 -3.845 -3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.510 -3.727 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.126 -3.928 -3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.197 -2.334 -2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.594 -2.539 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.011 -1.086 -2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.535 -1.857 -2.528 1.00 0.00 H new ATOM 337 N HIS A 23 -0.965 -1.880 -7.673 1.00 0.00 N ATOM 338 CA HIS A 23 -1.022 -1.008 -8.831 1.00 0.00 C ATOM 339 C HIS A 23 -2.389 -1.124 -9.496 1.00 0.00 C ATOM 340 O HIS A 23 -3.092 -0.135 -9.676 1.00 0.00 O ATOM 341 CB HIS A 23 0.071 -1.399 -9.832 1.00 0.00 C ATOM 342 CG HIS A 23 1.174 -0.392 -9.947 1.00 0.00 C ATOM 343 ND1 HIS A 23 2.475 -0.655 -9.572 1.00 0.00 N ATOM 344 CD2 HIS A 23 1.166 0.882 -10.407 1.00 0.00 C ATOM 345 CE1 HIS A 23 3.219 0.413 -9.796 1.00 0.00 C ATOM 346 NE2 HIS A 23 2.449 1.357 -10.301 1.00 0.00 N ATOM 0 H HIS A 23 -0.237 -2.593 -7.713 1.00 0.00 H new ATOM 0 HA HIS A 23 -0.863 0.021 -8.510 1.00 0.00 H new ATOM 0 HB2 HIS A 23 0.496 -2.358 -9.535 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.382 -1.541 -10.813 1.00 0.00 H new ATOM 0 HD1 HIS A 23 2.810 -1.536 -9.183 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.311 1.422 -10.786 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.277 0.499 -9.599 1.00 0.00 H new ATOM 355 N ALA A 24 -2.752 -2.356 -9.840 1.00 0.00 N ATOM 356 CA ALA A 24 -4.030 -2.649 -10.480 1.00 0.00 C ATOM 357 C ALA A 24 -5.219 -2.404 -9.548 1.00 0.00 C ATOM 358 O ALA A 24 -6.255 -1.895 -9.971 1.00 0.00 O ATOM 359 CB ALA A 24 -4.040 -4.084 -10.986 1.00 0.00 C ATOM 0 H ALA A 24 -2.169 -3.178 -9.683 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.139 -1.964 -11.321 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.997 -4.295 -11.462 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.237 -4.220 -11.710 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.893 -4.766 -10.149 1.00 0.00 H new ATOM 365 N ALA A 25 -5.075 -2.798 -8.288 1.00 0.00 N ATOM 366 CA ALA A 25 -6.151 -2.644 -7.311 1.00 0.00 C ATOM 367 C ALA A 25 -6.403 -1.190 -6.953 1.00 0.00 C ATOM 368 O ALA A 25 -7.532 -0.806 -6.652 1.00 0.00 O ATOM 369 CB ALA A 25 -5.841 -3.432 -6.047 1.00 0.00 C ATOM 0 H ALA A 25 -4.226 -3.226 -7.918 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.056 -3.035 -7.776 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.653 -3.305 -5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.736 -4.489 -6.294 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.912 -3.067 -5.610 1.00 0.00 H new ATOM 375 N PHE A 26 -5.354 -0.384 -6.957 1.00 0.00 N ATOM 376 CA PHE A 26 -5.493 1.015 -6.599 1.00 0.00 C ATOM 377 C PHE A 26 -5.560 1.927 -7.826 1.00 0.00 C ATOM 378 O PHE A 26 -5.857 3.116 -7.699 1.00 0.00 O ATOM 379 CB PHE A 26 -4.349 1.431 -5.677 1.00 0.00 C ATOM 380 CG PHE A 26 -4.384 0.758 -4.328 1.00 0.00 C ATOM 381 CD1 PHE A 26 -4.287 -0.625 -4.207 1.00 0.00 C ATOM 382 CD2 PHE A 26 -4.500 1.517 -3.177 1.00 0.00 C ATOM 383 CE1 PHE A 26 -4.308 -1.225 -2.961 1.00 0.00 C ATOM 384 CE2 PHE A 26 -4.517 0.924 -1.932 1.00 0.00 C ATOM 385 CZ PHE A 26 -4.423 -0.450 -1.822 1.00 0.00 C ATOM 0 H PHE A 26 -4.407 -0.672 -7.202 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.441 1.128 -6.073 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.401 1.202 -6.163 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.382 2.511 -5.536 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.195 -1.235 -5.094 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.579 2.591 -3.255 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.235 -2.299 -2.878 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.604 1.533 -1.044 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.439 -0.917 -0.849 1.00 0.00 H new ATOM 395 N ILE A 27 -5.287 1.381 -9.014 1.00 0.00 N ATOM 396 CA ILE A 27 -5.330 2.179 -10.237 1.00 0.00 C ATOM 397 C ILE A 27 -6.732 2.744 -10.500 1.00 0.00 C ATOM 398 O ILE A 27 -6.856 3.895 -10.921 1.00 0.00 O ATOM 399 CB ILE A 27 -4.810 1.397 -11.475 1.00 0.00 C ATOM 400 CG1 ILE A 27 -4.247 2.369 -12.509 1.00 0.00 C ATOM 401 CG2 ILE A 27 -5.878 0.516 -12.101 1.00 0.00 C ATOM 402 CD1 ILE A 27 -2.775 2.647 -12.316 1.00 0.00 C ATOM 0 H ILE A 27 -5.037 0.402 -9.152 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.653 3.018 -10.076 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.018 0.733 -11.128 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.407 1.962 -13.507 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.799 3.308 -12.456 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.460 -0.007 -12.961 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.225 -0.212 -11.368 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.716 1.134 -12.424 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.433 3.344 -13.081 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.613 3.082 -11.330 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.215 1.715 -12.398 1.00 0.00 H new ATOM 414 N PRO A 28 -7.820 1.973 -10.252 1.00 0.00 N ATOM 415 CA PRO A 28 -9.179 2.477 -10.471 1.00 0.00 C ATOM 416 C PRO A 28 -9.452 3.702 -9.612 1.00 0.00 C ATOM 417 O PRO A 28 -10.038 4.682 -10.075 1.00 0.00 O ATOM 418 CB PRO A 28 -10.084 1.310 -10.059 1.00 0.00 C ATOM 419 CG PRO A 28 -9.231 0.451 -9.195 1.00 0.00 C ATOM 420 CD PRO A 28 -7.835 0.589 -9.734 1.00 0.00 C ATOM 0 HA PRO A 28 -9.344 2.791 -11.502 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.963 1.663 -9.520 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.443 0.762 -10.930 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.282 0.770 -8.154 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.562 -0.587 -9.227 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.085 0.440 -8.957 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.631 -0.139 -10.519 1.00 0.00 H new ATOM 428 N PHE A 29 -9.002 3.649 -8.361 1.00 0.00 N ATOM 429 CA PHE A 29 -9.176 4.766 -7.444 1.00 0.00 C ATOM 430 C PHE A 29 -8.254 5.912 -7.841 1.00 0.00 C ATOM 431 O PHE A 29 -8.531 7.076 -7.553 1.00 0.00 O ATOM 432 CB PHE A 29 -8.880 4.351 -5.998 1.00 0.00 C ATOM 433 CG PHE A 29 -9.257 2.932 -5.667 1.00 0.00 C ATOM 434 CD1 PHE A 29 -10.523 2.448 -5.947 1.00 0.00 C ATOM 435 CD2 PHE A 29 -8.339 2.088 -5.062 1.00 0.00 C ATOM 436 CE1 PHE A 29 -10.866 1.146 -5.633 1.00 0.00 C ATOM 437 CE2 PHE A 29 -8.675 0.791 -4.743 1.00 0.00 C ATOM 438 CZ PHE A 29 -9.939 0.316 -5.028 1.00 0.00 C ATOM 0 H PHE A 29 -8.516 2.846 -7.962 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.215 5.090 -7.504 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.816 4.485 -5.805 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -9.413 5.022 -5.324 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -11.251 3.094 -6.416 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.347 2.452 -4.838 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.856 0.778 -5.860 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -7.949 0.146 -4.270 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.204 -0.701 -4.779 1.00 0.00 H new ATOM 448 N GLY A 30 -7.150 5.567 -8.502 1.00 0.00 N ATOM 449 CA GLY A 30 -6.193 6.565 -8.929 1.00 0.00 C ATOM 450 C GLY A 30 -4.941 5.934 -9.498 1.00 0.00 C ATOM 451 O GLY A 30 -4.342 5.059 -8.871 1.00 0.00 O ATOM 0 H GLY A 30 -6.904 4.608 -8.748 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.650 7.209 -9.681 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.928 7.200 -8.084 1.00 0.00 H new ATOM 455 N ASP A 31 -4.547 6.365 -10.689 1.00 0.00 N ATOM 456 CA ASP A 31 -3.362 5.817 -11.335 1.00 0.00 C ATOM 457 C ASP A 31 -2.128 6.020 -10.471 1.00 0.00 C ATOM 458 O ASP A 31 -1.587 7.121 -10.372 1.00 0.00 O ATOM 459 CB ASP A 31 -3.153 6.437 -12.713 1.00 0.00 C ATOM 460 CG ASP A 31 -4.440 6.538 -13.509 1.00 0.00 C ATOM 461 OD1 ASP A 31 -4.859 5.517 -14.094 1.00 0.00 O ATOM 462 OD2 ASP A 31 -5.030 7.638 -13.547 1.00 0.00 O ATOM 0 H ASP A 31 -5.027 7.088 -11.225 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.520 4.746 -11.462 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.722 7.432 -12.598 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.431 5.840 -13.270 1.00 0.00 H new ATOM 467 N ILE A 32 -1.703 4.939 -9.844 1.00 0.00 N ATOM 468 CA ILE A 32 -0.539 4.951 -8.966 1.00 0.00 C ATOM 469 C ILE A 32 0.721 5.402 -9.698 1.00 0.00 C ATOM 470 O ILE A 32 0.835 5.267 -10.916 1.00 0.00 O ATOM 471 CB ILE A 32 -0.318 3.538 -8.382 1.00 0.00 C ATOM 472 CG1 ILE A 32 -1.539 3.114 -7.569 1.00 0.00 C ATOM 473 CG2 ILE A 32 0.948 3.452 -7.538 1.00 0.00 C ATOM 474 CD1 ILE A 32 -2.445 2.164 -8.315 1.00 0.00 C ATOM 0 H ILE A 32 -2.152 4.027 -9.926 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.733 5.664 -8.165 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.186 2.852 -9.219 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.207 2.640 -6.645 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.106 4.001 -7.286 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.059 2.439 -7.150 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.813 3.702 -8.153 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.879 4.153 -6.706 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.294 1.900 -7.684 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.805 2.644 -9.225 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.891 1.262 -8.575 1.00 0.00 H new ATOM 486 N THR A 33 1.666 5.936 -8.930 1.00 0.00 N ATOM 487 CA THR A 33 2.931 6.410 -9.477 1.00 0.00 C ATOM 488 C THR A 33 4.116 5.746 -8.794 1.00 0.00 C ATOM 489 O THR A 33 5.198 5.649 -9.372 1.00 0.00 O ATOM 490 CB THR A 33 3.048 7.919 -9.313 1.00 0.00 C ATOM 491 OG1 THR A 33 1.805 8.490 -8.942 1.00 0.00 O ATOM 492 CG2 THR A 33 3.529 8.628 -10.560 1.00 0.00 C ATOM 0 H THR A 33 1.577 6.051 -7.920 1.00 0.00 H new ATOM 0 HA THR A 33 2.944 6.150 -10.535 1.00 0.00 H new ATOM 0 HB THR A 33 3.792 8.059 -8.529 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.811 9.448 -9.147 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.588 9.700 -10.369 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.515 8.253 -10.834 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.831 8.443 -11.376 1.00 0.00 H new ATOM 500 N ASP A 34 3.921 5.305 -7.558 1.00 0.00 N ATOM 501 CA ASP A 34 4.998 4.673 -6.819 1.00 0.00 C ATOM 502 C ASP A 34 4.470 3.699 -5.764 1.00 0.00 C ATOM 503 O ASP A 34 3.469 3.965 -5.101 1.00 0.00 O ATOM 504 CB ASP A 34 5.875 5.740 -6.155 1.00 0.00 C ATOM 505 CG ASP A 34 7.347 5.566 -6.476 1.00 0.00 C ATOM 506 OD1 ASP A 34 7.985 4.674 -5.877 1.00 0.00 O ATOM 507 OD2 ASP A 34 7.863 6.322 -7.326 1.00 0.00 O ATOM 0 H ASP A 34 3.037 5.373 -7.054 1.00 0.00 H new ATOM 0 HA ASP A 34 5.594 4.100 -7.529 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.550 6.728 -6.482 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.735 5.700 -5.075 1.00 0.00 H new ATOM 512 N ILE A 35 5.161 2.579 -5.600 1.00 0.00 N ATOM 513 CA ILE A 35 4.776 1.585 -4.606 1.00 0.00 C ATOM 514 C ILE A 35 6.012 0.958 -3.980 1.00 0.00 C ATOM 515 O ILE A 35 6.828 0.348 -4.671 1.00 0.00 O ATOM 516 CB ILE A 35 3.882 0.477 -5.200 1.00 0.00 C ATOM 517 CG1 ILE A 35 2.694 1.101 -5.941 1.00 0.00 C ATOM 518 CG2 ILE A 35 3.402 -0.457 -4.095 1.00 0.00 C ATOM 519 CD1 ILE A 35 1.698 0.092 -6.471 1.00 0.00 C ATOM 0 H ILE A 35 5.990 2.336 -6.142 1.00 0.00 H new ATOM 0 HA ILE A 35 4.197 2.107 -3.844 1.00 0.00 H new ATOM 0 HB ILE A 35 4.463 -0.107 -5.914 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.178 1.785 -5.267 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.070 1.696 -6.773 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.772 -1.235 -4.525 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.262 -0.915 -3.607 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.828 0.111 -3.362 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.888 0.614 -6.982 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.197 -0.578 -7.171 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.291 -0.487 -5.642 1.00 0.00 H new ATOM 531 N GLN A 36 6.158 1.125 -2.671 1.00 0.00 N ATOM 532 CA GLN A 36 7.313 0.582 -1.963 1.00 0.00 C ATOM 533 C GLN A 36 6.901 -0.267 -0.766 1.00 0.00 C ATOM 534 O GLN A 36 6.132 0.173 0.088 1.00 0.00 O ATOM 535 CB GLN A 36 8.229 1.718 -1.501 1.00 0.00 C ATOM 536 CG GLN A 36 8.981 2.395 -2.636 1.00 0.00 C ATOM 537 CD GLN A 36 10.423 1.936 -2.739 1.00 0.00 C ATOM 538 OE1 GLN A 36 11.101 1.749 -1.728 1.00 0.00 O ATOM 539 NE2 GLN A 36 10.901 1.753 -3.964 1.00 0.00 N ATOM 0 H GLN A 36 5.496 1.629 -2.081 1.00 0.00 H new ATOM 0 HA GLN A 36 7.849 -0.063 -2.660 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.632 2.464 -0.976 1.00 0.00 H new ATOM 0 HB3 GLN A 36 8.949 1.324 -0.784 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.471 2.190 -3.577 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.957 3.475 -2.489 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.304 1.920 -4.774 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.865 1.446 -4.095 1.00 0.00 H new ATOM 548 N ILE A 37 7.437 -1.482 -0.708 1.00 0.00 N ATOM 549 CA ILE A 37 7.153 -2.403 0.385 1.00 0.00 C ATOM 550 C ILE A 37 8.395 -2.572 1.261 1.00 0.00 C ATOM 551 O ILE A 37 9.397 -3.133 0.817 1.00 0.00 O ATOM 552 CB ILE A 37 6.706 -3.781 -0.146 1.00 0.00 C ATOM 553 CG1 ILE A 37 5.605 -3.609 -1.205 1.00 0.00 C ATOM 554 CG2 ILE A 37 6.223 -4.665 0.998 1.00 0.00 C ATOM 555 CD1 ILE A 37 5.983 -4.139 -2.571 1.00 0.00 C ATOM 0 H ILE A 37 8.075 -1.853 -1.412 1.00 0.00 H new ATOM 0 HA ILE A 37 6.340 -1.982 0.976 1.00 0.00 H new ATOM 0 HB ILE A 37 7.561 -4.270 -0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.704 -4.119 -0.865 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.359 -2.551 -1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.912 -5.632 0.604 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.032 -4.808 1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.379 -4.187 1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.156 -3.982 -3.264 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.866 -3.613 -2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.200 -5.205 -2.500 1.00 0.00 H new ATOM 567 N PRO A 38 8.363 -2.072 2.511 1.00 0.00 N ATOM 568 CA PRO A 38 9.511 -2.163 3.423 1.00 0.00 C ATOM 569 C PRO A 38 9.801 -3.588 3.872 1.00 0.00 C ATOM 570 O PRO A 38 8.890 -4.388 4.088 1.00 0.00 O ATOM 571 CB PRO A 38 9.086 -1.307 4.617 1.00 0.00 C ATOM 572 CG PRO A 38 7.603 -1.364 4.592 1.00 0.00 C ATOM 573 CD PRO A 38 7.228 -1.371 3.137 1.00 0.00 C ATOM 0 HA PRO A 38 10.430 -1.830 2.942 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.485 -1.701 5.552 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.447 -0.283 4.522 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.236 -2.258 5.097 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.168 -0.507 5.106 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.286 -1.892 2.965 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.110 -0.361 2.745 1.00 0.00 H new ATOM 581 N LEU A 39 11.084 -3.892 4.006 1.00 0.00 N ATOM 582 CA LEU A 39 11.531 -5.215 4.428 1.00 0.00 C ATOM 583 C LEU A 39 12.235 -5.142 5.781 1.00 0.00 C ATOM 584 O LEU A 39 12.259 -4.094 6.423 1.00 0.00 O ATOM 585 CB LEU A 39 12.473 -5.815 3.383 1.00 0.00 C ATOM 586 CG LEU A 39 11.926 -5.840 1.952 1.00 0.00 C ATOM 587 CD1 LEU A 39 12.658 -4.837 1.073 1.00 0.00 C ATOM 588 CD2 LEU A 39 12.033 -7.241 1.363 1.00 0.00 C ATOM 0 H LEU A 39 11.842 -3.234 3.827 1.00 0.00 H new ATOM 0 HA LEU A 39 10.654 -5.855 4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 39 13.405 -5.249 3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.717 -6.835 3.680 1.00 0.00 H new ATOM 0 HG LEU A 39 10.874 -5.557 1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 39 12.251 -4.874 0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 39 12.528 -3.834 1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.719 -5.083 1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.640 -7.239 0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.078 -7.550 1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.458 -7.937 1.973 1.00 0.00 H new ATOM 600 N ASP A 40 12.803 -6.266 6.207 1.00 0.00 N ATOM 601 CA ASP A 40 13.506 -6.331 7.485 1.00 0.00 C ATOM 602 C ASP A 40 14.919 -5.758 7.378 1.00 0.00 C ATOM 603 O ASP A 40 15.583 -5.540 8.391 1.00 0.00 O ATOM 604 CB ASP A 40 13.568 -7.779 7.980 1.00 0.00 C ATOM 605 CG ASP A 40 12.436 -8.116 8.932 1.00 0.00 C ATOM 606 OD1 ASP A 40 12.504 -7.697 10.106 1.00 0.00 O ATOM 607 OD2 ASP A 40 11.482 -8.797 8.502 1.00 0.00 O ATOM 0 H ASP A 40 12.791 -7.143 5.687 1.00 0.00 H new ATOM 0 HA ASP A 40 12.950 -5.726 8.201 1.00 0.00 H new ATOM 0 HB2 ASP A 40 13.532 -8.454 7.125 1.00 0.00 H new ATOM 0 HB3 ASP A 40 14.522 -7.948 8.480 1.00 0.00 H new ATOM 612 N TYR A 41 15.384 -5.527 6.150 1.00 0.00 N ATOM 613 CA TYR A 41 16.728 -4.991 5.926 1.00 0.00 C ATOM 614 C TYR A 41 17.781 -6.061 6.185 1.00 0.00 C ATOM 615 O TYR A 41 18.522 -6.450 5.282 1.00 0.00 O ATOM 616 CB TYR A 41 16.997 -3.778 6.824 1.00 0.00 C ATOM 617 CG TYR A 41 15.782 -2.915 7.080 1.00 0.00 C ATOM 618 CD1 TYR A 41 15.207 -2.168 6.058 1.00 0.00 C ATOM 619 CD2 TYR A 41 15.208 -2.847 8.344 1.00 0.00 C ATOM 620 CE1 TYR A 41 14.098 -1.377 6.290 1.00 0.00 C ATOM 621 CE2 TYR A 41 14.098 -2.060 8.583 1.00 0.00 C ATOM 622 CZ TYR A 41 13.546 -1.327 7.552 1.00 0.00 C ATOM 623 OH TYR A 41 12.441 -0.542 7.786 1.00 0.00 O ATOM 0 H TYR A 41 14.852 -5.702 5.297 1.00 0.00 H new ATOM 0 HA TYR A 41 16.787 -4.673 4.885 1.00 0.00 H new ATOM 0 HB2 TYR A 41 17.389 -4.127 7.779 1.00 0.00 H new ATOM 0 HB3 TYR A 41 17.774 -3.166 6.366 1.00 0.00 H new ATOM 0 HD1 TYR A 41 15.634 -2.207 5.067 1.00 0.00 H new ATOM 0 HD2 TYR A 41 15.637 -3.419 9.153 1.00 0.00 H new ATOM 0 HE1 TYR A 41 13.666 -0.800 5.486 1.00 0.00 H new ATOM 0 HE2 TYR A 41 13.665 -2.019 9.571 1.00 0.00 H new ATOM 0 HH TYR A 41 12.177 -0.620 8.727 1.00 0.00 H new ATOM 633 N GLU A 42 17.837 -6.534 7.424 1.00 0.00 N ATOM 634 CA GLU A 42 18.793 -7.563 7.808 1.00 0.00 C ATOM 635 C GLU A 42 18.424 -8.895 7.168 1.00 0.00 C ATOM 636 O GLU A 42 19.238 -9.520 6.487 1.00 0.00 O ATOM 637 CB GLU A 42 18.834 -7.697 9.333 1.00 0.00 C ATOM 638 CG GLU A 42 20.240 -7.822 9.896 1.00 0.00 C ATOM 639 CD GLU A 42 20.876 -9.163 9.589 1.00 0.00 C ATOM 640 OE1 GLU A 42 20.132 -10.161 9.477 1.00 0.00 O ATOM 641 OE2 GLU A 42 22.118 -9.217 9.459 1.00 0.00 O ATOM 0 H GLU A 42 17.230 -6.220 8.181 1.00 0.00 H new ATOM 0 HA GLU A 42 19.782 -7.273 7.454 1.00 0.00 H new ATOM 0 HB2 GLU A 42 18.349 -6.828 9.779 1.00 0.00 H new ATOM 0 HB3 GLU A 42 18.255 -8.572 9.628 1.00 0.00 H new ATOM 0 HG2 GLU A 42 20.863 -7.027 9.486 1.00 0.00 H new ATOM 0 HG3 GLU A 42 20.209 -7.678 10.976 1.00 0.00 H new ATOM 648 N THR A 43 17.187 -9.313 7.390 1.00 0.00 N ATOM 649 CA THR A 43 16.687 -10.563 6.833 1.00 0.00 C ATOM 650 C THR A 43 16.016 -10.313 5.492 1.00 0.00 C ATOM 651 O THR A 43 16.027 -11.168 4.607 1.00 0.00 O ATOM 652 CB THR A 43 15.694 -11.217 7.794 1.00 0.00 C ATOM 653 OG1 THR A 43 14.596 -10.358 8.040 1.00 0.00 O ATOM 654 CG2 THR A 43 16.299 -11.579 9.130 1.00 0.00 C ATOM 0 H THR A 43 16.508 -8.803 7.954 1.00 0.00 H new ATOM 0 HA THR A 43 17.532 -11.235 6.687 1.00 0.00 H new ATOM 0 HB THR A 43 15.377 -12.135 7.298 1.00 0.00 H new ATOM 0 HG1 THR A 43 13.971 -10.794 8.656 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.538 -12.038 9.761 1.00 0.00 H new ATOM 0 HG22 THR A 43 17.119 -12.282 8.980 1.00 0.00 H new ATOM 0 HG23 THR A 43 16.677 -10.679 9.614 1.00 0.00 H new ATOM 662 N GLU A 44 15.427 -9.129 5.352 1.00 0.00 N ATOM 663 CA GLU A 44 14.743 -8.752 4.122 1.00 0.00 C ATOM 664 C GLU A 44 13.736 -9.827 3.705 1.00 0.00 C ATOM 665 O GLU A 44 13.859 -10.426 2.637 1.00 0.00 O ATOM 666 CB GLU A 44 15.765 -8.508 3.004 1.00 0.00 C ATOM 667 CG GLU A 44 15.774 -7.077 2.493 1.00 0.00 C ATOM 668 CD GLU A 44 17.033 -6.743 1.717 1.00 0.00 C ATOM 669 OE1 GLU A 44 17.073 -7.022 0.500 1.00 0.00 O ATOM 670 OE2 GLU A 44 17.980 -6.203 2.327 1.00 0.00 O ATOM 0 H GLU A 44 15.410 -8.413 6.078 1.00 0.00 H new ATOM 0 HA GLU A 44 14.193 -7.829 4.303 1.00 0.00 H new ATOM 0 HB2 GLU A 44 16.760 -8.761 3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 44 15.551 -9.181 2.174 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.905 -6.918 1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.679 -6.393 3.337 1.00 0.00 H new ATOM 677 N LYS A 45 12.747 -10.083 4.560 1.00 0.00 N ATOM 678 CA LYS A 45 11.740 -11.101 4.271 1.00 0.00 C ATOM 679 C LYS A 45 10.346 -10.502 4.054 1.00 0.00 C ATOM 680 O LYS A 45 9.387 -11.236 3.812 1.00 0.00 O ATOM 681 CB LYS A 45 11.687 -12.120 5.411 1.00 0.00 C ATOM 682 CG LYS A 45 13.031 -12.759 5.726 1.00 0.00 C ATOM 683 CD LYS A 45 12.925 -13.752 6.878 1.00 0.00 C ATOM 684 CE LYS A 45 13.269 -15.167 6.435 1.00 0.00 C ATOM 685 NZ LYS A 45 13.666 -16.032 7.582 1.00 0.00 N ATOM 0 H LYS A 45 12.622 -9.603 5.452 1.00 0.00 H new ATOM 0 HA LYS A 45 12.035 -11.590 3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.310 -11.629 6.308 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.974 -12.903 5.153 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.409 -13.268 4.840 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.753 -11.983 5.979 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.596 -13.449 7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.913 -13.733 7.283 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.409 -15.607 5.930 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.082 -15.132 5.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.892 -16.986 7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.502 -15.627 8.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.882 -16.087 8.263 1.00 0.00 H new ATOM 699 N HIS A 46 10.225 -9.177 4.151 1.00 0.00 N ATOM 700 CA HIS A 46 8.933 -8.512 3.976 1.00 0.00 C ATOM 701 C HIS A 46 7.953 -8.956 5.055 1.00 0.00 C ATOM 702 O HIS A 46 7.949 -10.117 5.466 1.00 0.00 O ATOM 703 CB HIS A 46 8.347 -8.801 2.589 1.00 0.00 C ATOM 704 CG HIS A 46 8.751 -7.809 1.546 1.00 0.00 C ATOM 705 ND1 HIS A 46 9.309 -8.170 0.339 1.00 0.00 N ATOM 706 CD2 HIS A 46 8.666 -6.459 1.532 1.00 0.00 C ATOM 707 CE1 HIS A 46 9.549 -7.083 -0.374 1.00 0.00 C ATOM 708 NE2 HIS A 46 9.167 -6.032 0.328 1.00 0.00 N ATOM 0 H HIS A 46 11.002 -8.546 4.349 1.00 0.00 H new ATOM 0 HA HIS A 46 9.097 -7.438 4.064 1.00 0.00 H new ATOM 0 HB2 HIS A 46 8.661 -9.796 2.272 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.259 -8.817 2.660 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.276 -5.834 2.322 1.00 0.00 H new ATOM 0 HE1 HIS A 46 9.984 -7.059 -1.362 1.00 0.00 H new ATOM 0 HE2 HIS A 46 9.234 -5.060 0.025 1.00 0.00 H new ATOM 717 N ARG A 47 7.117 -8.028 5.503 1.00 0.00 N ATOM 718 CA ARG A 47 6.122 -8.320 6.527 1.00 0.00 C ATOM 719 C ARG A 47 4.737 -8.417 5.901 1.00 0.00 C ATOM 720 O ARG A 47 4.216 -9.507 5.673 1.00 0.00 O ATOM 721 CB ARG A 47 6.133 -7.229 7.599 1.00 0.00 C ATOM 722 CG ARG A 47 6.972 -7.572 8.818 1.00 0.00 C ATOM 723 CD ARG A 47 7.060 -6.397 9.781 1.00 0.00 C ATOM 724 NE ARG A 47 8.345 -5.707 9.690 1.00 0.00 N ATOM 725 CZ ARG A 47 8.594 -4.690 8.863 1.00 0.00 C ATOM 726 NH1 ARG A 47 7.645 -4.225 8.059 1.00 0.00 N ATOM 727 NH2 ARG A 47 9.797 -4.134 8.842 1.00 0.00 N ATOM 0 H ARG A 47 7.108 -7.063 5.172 1.00 0.00 H new ATOM 0 HA ARG A 47 6.369 -9.275 6.991 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.509 -6.305 7.159 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.109 -7.036 7.918 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.539 -8.432 9.329 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.974 -7.861 8.502 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.255 -5.693 9.568 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.911 -6.752 10.801 1.00 0.00 H new ATOM 0 HE ARG A 47 9.100 -6.023 10.298 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.716 -4.646 8.070 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.845 -3.447 7.430 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.531 -4.484 9.458 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.989 -3.356 8.210 1.00 0.00 H new ATOM 741 N GLY A 48 4.153 -7.258 5.624 1.00 0.00 N ATOM 742 CA GLY A 48 2.839 -7.210 5.023 1.00 0.00 C ATOM 743 C GLY A 48 2.301 -5.800 4.955 1.00 0.00 C ATOM 744 O GLY A 48 1.122 -5.571 5.210 1.00 0.00 O ATOM 0 H GLY A 48 4.571 -6.346 5.807 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.884 -7.630 4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.154 -7.833 5.598 1.00 0.00 H new ATOM 748 N PHE A 49 3.163 -4.852 4.619 1.00 0.00 N ATOM 749 CA PHE A 49 2.757 -3.459 4.527 1.00 0.00 C ATOM 750 C PHE A 49 3.421 -2.787 3.335 1.00 0.00 C ATOM 751 O PHE A 49 4.507 -3.187 2.917 1.00 0.00 O ATOM 752 CB PHE A 49 3.112 -2.742 5.830 1.00 0.00 C ATOM 753 CG PHE A 49 2.713 -3.538 7.038 1.00 0.00 C ATOM 754 CD1 PHE A 49 1.421 -4.013 7.154 1.00 0.00 C ATOM 755 CD2 PHE A 49 3.625 -3.837 8.034 1.00 0.00 C ATOM 756 CE1 PHE A 49 1.039 -4.775 8.236 1.00 0.00 C ATOM 757 CE2 PHE A 49 3.250 -4.595 9.127 1.00 0.00 C ATOM 758 CZ PHE A 49 1.955 -5.067 9.228 1.00 0.00 C ATOM 0 H PHE A 49 4.146 -5.022 4.406 1.00 0.00 H new ATOM 0 HA PHE A 49 1.679 -3.405 4.377 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.185 -2.553 5.859 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.617 -1.771 5.856 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.699 -3.783 6.384 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.640 -3.475 7.957 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.026 -5.143 8.309 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.968 -4.818 9.902 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.660 -5.662 10.080 1.00 0.00 H new ATOM 768 N ALA A 50 2.761 -1.779 2.774 1.00 0.00 N ATOM 769 CA ALA A 50 3.309 -1.083 1.615 1.00 0.00 C ATOM 770 C ALA A 50 2.824 0.359 1.517 1.00 0.00 C ATOM 771 O ALA A 50 1.923 0.780 2.245 1.00 0.00 O ATOM 772 CB ALA A 50 2.959 -1.841 0.342 1.00 0.00 C ATOM 0 H ALA A 50 1.859 -1.429 3.097 1.00 0.00 H new ATOM 0 HA ALA A 50 4.391 -1.049 1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.371 -1.316 -0.519 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.379 -2.846 0.390 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.875 -1.905 0.243 1.00 0.00 H new ATOM 778 N PHE A 51 3.430 1.101 0.595 1.00 0.00 N ATOM 779 CA PHE A 51 3.080 2.497 0.355 1.00 0.00 C ATOM 780 C PHE A 51 2.511 2.650 -1.053 1.00 0.00 C ATOM 781 O PHE A 51 2.981 2.002 -1.987 1.00 0.00 O ATOM 782 CB PHE A 51 4.318 3.390 0.512 1.00 0.00 C ATOM 783 CG PHE A 51 4.370 4.145 1.812 1.00 0.00 C ATOM 784 CD1 PHE A 51 3.690 5.343 1.960 1.00 0.00 C ATOM 785 CD2 PHE A 51 5.107 3.660 2.883 1.00 0.00 C ATOM 786 CE1 PHE A 51 3.741 6.043 3.150 1.00 0.00 C ATOM 787 CE2 PHE A 51 5.161 4.356 4.076 1.00 0.00 C ATOM 788 CZ PHE A 51 4.478 5.549 4.209 1.00 0.00 C ATOM 0 H PHE A 51 4.177 0.752 -0.006 1.00 0.00 H new ATOM 0 HA PHE A 51 2.330 2.803 1.085 1.00 0.00 H new ATOM 0 HB2 PHE A 51 5.212 2.772 0.427 1.00 0.00 H new ATOM 0 HB3 PHE A 51 4.345 4.104 -0.312 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.113 5.734 1.135 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.644 2.728 2.783 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.205 6.975 3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.737 3.967 4.903 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.520 6.095 5.140 1.00 0.00 H new ATOM 798 N VAL A 52 1.500 3.501 -1.209 1.00 0.00 N ATOM 799 CA VAL A 52 0.886 3.711 -2.518 1.00 0.00 C ATOM 800 C VAL A 52 0.983 5.175 -2.953 1.00 0.00 C ATOM 801 O VAL A 52 0.533 6.072 -2.244 1.00 0.00 O ATOM 802 CB VAL A 52 -0.593 3.265 -2.524 1.00 0.00 C ATOM 803 CG1 VAL A 52 -1.181 3.370 -3.924 1.00 0.00 C ATOM 804 CG2 VAL A 52 -0.723 1.844 -1.991 1.00 0.00 C ATOM 0 H VAL A 52 1.092 4.052 -0.454 1.00 0.00 H new ATOM 0 HA VAL A 52 1.440 3.098 -3.229 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.155 3.931 -1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.223 3.051 -3.906 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.124 4.403 -4.266 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.618 2.731 -4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.771 1.546 -2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.146 1.166 -2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.345 1.803 -0.970 1.00 0.00 H new ATOM 814 N GLU A 53 1.564 5.399 -4.132 1.00 0.00 N ATOM 815 CA GLU A 53 1.721 6.742 -4.683 1.00 0.00 C ATOM 816 C GLU A 53 0.696 6.958 -5.779 1.00 0.00 C ATOM 817 O GLU A 53 0.412 6.049 -6.549 1.00 0.00 O ATOM 818 CB GLU A 53 3.128 6.922 -5.257 1.00 0.00 C ATOM 819 CG GLU A 53 3.985 7.930 -4.521 1.00 0.00 C ATOM 820 CD GLU A 53 4.147 9.230 -5.282 1.00 0.00 C ATOM 821 OE1 GLU A 53 4.697 9.196 -6.403 1.00 0.00 O ATOM 822 OE2 GLU A 53 3.725 10.283 -4.758 1.00 0.00 O ATOM 0 H GLU A 53 1.936 4.659 -4.727 1.00 0.00 H new ATOM 0 HA GLU A 53 1.571 7.471 -3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.636 5.958 -5.248 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.044 7.228 -6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.540 8.137 -3.548 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.968 7.498 -4.336 1.00 0.00 H new ATOM 829 N PHE A 54 0.139 8.155 -5.854 1.00 0.00 N ATOM 830 CA PHE A 54 -0.853 8.447 -6.868 1.00 0.00 C ATOM 831 C PHE A 54 -0.454 9.651 -7.698 1.00 0.00 C ATOM 832 O PHE A 54 0.263 10.536 -7.232 1.00 0.00 O ATOM 833 CB PHE A 54 -2.212 8.677 -6.219 1.00 0.00 C ATOM 834 CG PHE A 54 -2.766 7.438 -5.581 1.00 0.00 C ATOM 835 CD1 PHE A 54 -3.482 6.515 -6.327 1.00 0.00 C ATOM 836 CD2 PHE A 54 -2.562 7.193 -4.236 1.00 0.00 C ATOM 837 CE1 PHE A 54 -3.984 5.372 -5.740 1.00 0.00 C ATOM 838 CE2 PHE A 54 -3.062 6.053 -3.644 1.00 0.00 C ATOM 839 CZ PHE A 54 -3.773 5.140 -4.395 1.00 0.00 C ATOM 0 H PHE A 54 0.356 8.932 -5.230 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.918 7.588 -7.536 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.122 9.460 -5.466 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.913 9.038 -6.972 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.649 6.693 -7.379 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.005 7.903 -3.642 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.541 4.660 -6.331 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.897 5.874 -2.592 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.164 4.246 -3.932 1.00 0.00 H new ATOM 849 N GLU A 55 -0.937 9.681 -8.928 1.00 0.00 N ATOM 850 CA GLU A 55 -0.649 10.782 -9.829 1.00 0.00 C ATOM 851 C GLU A 55 -1.452 11.996 -9.402 1.00 0.00 C ATOM 852 O GLU A 55 -1.032 13.141 -9.584 1.00 0.00 O ATOM 853 CB GLU A 55 -0.991 10.398 -11.271 1.00 0.00 C ATOM 854 CG GLU A 55 0.056 10.835 -12.283 1.00 0.00 C ATOM 855 CD GLU A 55 0.058 9.971 -13.529 1.00 0.00 C ATOM 856 OE1 GLU A 55 0.751 8.932 -13.528 1.00 0.00 O ATOM 857 OE2 GLU A 55 -0.632 10.334 -14.504 1.00 0.00 O ATOM 0 H GLU A 55 -1.531 8.954 -9.326 1.00 0.00 H new ATOM 0 HA GLU A 55 0.415 11.016 -9.785 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.113 9.316 -11.331 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.950 10.842 -11.538 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.127 11.872 -12.565 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.042 10.800 -11.819 1.00 0.00 H new ATOM 864 N LEU A 56 -2.624 11.726 -8.841 1.00 0.00 N ATOM 865 CA LEU A 56 -3.522 12.776 -8.387 1.00 0.00 C ATOM 866 C LEU A 56 -3.784 12.663 -6.888 1.00 0.00 C ATOM 867 O LEU A 56 -4.158 11.601 -6.390 1.00 0.00 O ATOM 868 CB LEU A 56 -4.837 12.683 -9.159 1.00 0.00 C ATOM 869 CG LEU A 56 -4.711 12.854 -10.673 1.00 0.00 C ATOM 870 CD1 LEU A 56 -6.010 12.472 -11.363 1.00 0.00 C ATOM 871 CD2 LEU A 56 -4.324 14.285 -11.020 1.00 0.00 C ATOM 0 H LEU A 56 -2.975 10.780 -8.689 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.054 13.743 -8.573 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.293 11.714 -8.955 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.519 13.443 -8.778 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.924 12.189 -11.028 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.901 12.600 -12.440 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.246 11.431 -11.143 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.816 13.111 -11.001 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.239 14.387 -12.102 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.088 14.968 -10.650 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.367 14.526 -10.557 1.00 0.00 H new ATOM 883 N ALA A 57 -3.585 13.763 -6.170 1.00 0.00 N ATOM 884 CA ALA A 57 -3.802 13.780 -4.728 1.00 0.00 C ATOM 885 C ALA A 57 -5.266 13.512 -4.390 1.00 0.00 C ATOM 886 O ALA A 57 -5.579 12.967 -3.331 1.00 0.00 O ATOM 887 CB ALA A 57 -3.357 15.110 -4.141 1.00 0.00 C ATOM 0 H ALA A 57 -3.275 14.652 -6.562 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.202 12.984 -4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.525 15.107 -3.064 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.296 15.260 -4.342 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.930 15.918 -4.596 1.00 0.00 H new ATOM 893 N GLU A 58 -6.160 13.901 -5.294 1.00 0.00 N ATOM 894 CA GLU A 58 -7.591 13.704 -5.088 1.00 0.00 C ATOM 895 C GLU A 58 -7.976 12.241 -5.279 1.00 0.00 C ATOM 896 O GLU A 58 -8.862 11.726 -4.596 1.00 0.00 O ATOM 897 CB GLU A 58 -8.393 14.582 -6.050 1.00 0.00 C ATOM 898 CG GLU A 58 -9.856 14.728 -5.664 1.00 0.00 C ATOM 899 CD GLU A 58 -10.154 16.050 -4.982 1.00 0.00 C ATOM 900 OE1 GLU A 58 -9.519 17.061 -5.346 1.00 0.00 O ATOM 901 OE2 GLU A 58 -11.024 16.072 -4.086 1.00 0.00 O ATOM 0 H GLU A 58 -5.919 14.354 -6.176 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.825 13.991 -4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.937 15.571 -6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.331 14.159 -7.053 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.474 14.638 -6.558 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.135 13.910 -5.000 1.00 0.00 H new ATOM 908 N ASP A 59 -7.306 11.574 -6.215 1.00 0.00 N ATOM 909 CA ASP A 59 -7.581 10.172 -6.498 1.00 0.00 C ATOM 910 C ASP A 59 -7.252 9.293 -5.294 1.00 0.00 C ATOM 911 O ASP A 59 -7.946 8.315 -5.018 1.00 0.00 O ATOM 912 CB ASP A 59 -6.805 9.712 -7.743 1.00 0.00 C ATOM 913 CG ASP A 59 -5.338 9.421 -7.471 1.00 0.00 C ATOM 914 OD1 ASP A 59 -5.047 8.642 -6.541 1.00 0.00 O ATOM 915 OD2 ASP A 59 -4.482 9.956 -8.203 1.00 0.00 O ATOM 0 H ASP A 59 -6.569 11.984 -6.789 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.647 10.069 -6.701 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.277 8.815 -8.144 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.878 10.481 -8.512 1.00 0.00 H new ATOM 920 N ALA A 60 -6.176 9.639 -4.592 1.00 0.00 N ATOM 921 CA ALA A 60 -5.742 8.875 -3.429 1.00 0.00 C ATOM 922 C ALA A 60 -6.831 8.811 -2.363 1.00 0.00 C ATOM 923 O ALA A 60 -7.057 7.762 -1.763 1.00 0.00 O ATOM 924 CB ALA A 60 -4.468 9.474 -2.853 1.00 0.00 C ATOM 0 H ALA A 60 -5.589 10.444 -4.810 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.539 7.855 -3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.154 8.895 -1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.682 9.452 -3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.654 10.505 -2.553 1.00 0.00 H new ATOM 930 N ALA A 61 -7.512 9.931 -2.139 1.00 0.00 N ATOM 931 CA ALA A 61 -8.582 9.986 -1.146 1.00 0.00 C ATOM 932 C ALA A 61 -9.605 8.882 -1.395 1.00 0.00 C ATOM 933 O ALA A 61 -10.184 8.327 -0.460 1.00 0.00 O ATOM 934 CB ALA A 61 -9.250 11.353 -1.162 1.00 0.00 C ATOM 0 H ALA A 61 -7.344 10.810 -2.629 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.146 9.828 -0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.045 11.378 -0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.512 12.121 -0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.672 11.540 -2.149 1.00 0.00 H new ATOM 940 N ALA A 62 -9.811 8.562 -2.664 1.00 0.00 N ATOM 941 CA ALA A 62 -10.744 7.512 -3.049 1.00 0.00 C ATOM 942 C ALA A 62 -10.218 6.163 -2.579 1.00 0.00 C ATOM 943 O ALA A 62 -10.953 5.366 -2.000 1.00 0.00 O ATOM 944 CB ALA A 62 -10.961 7.519 -4.557 1.00 0.00 C ATOM 0 H ALA A 62 -9.343 9.016 -3.448 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.707 7.695 -2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.661 6.728 -4.828 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.368 8.483 -4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.010 7.350 -5.062 1.00 0.00 H new ATOM 950 N ALA A 63 -8.925 5.937 -2.794 1.00 0.00 N ATOM 951 CA ALA A 63 -8.282 4.709 -2.351 1.00 0.00 C ATOM 952 C ALA A 63 -8.345 4.651 -0.833 1.00 0.00 C ATOM 953 O ALA A 63 -8.498 3.586 -0.234 1.00 0.00 O ATOM 954 CB ALA A 63 -6.837 4.658 -2.833 1.00 0.00 C ATOM 0 H ALA A 63 -8.304 6.590 -3.272 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.800 3.848 -2.772 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.372 3.733 -2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.815 4.695 -3.922 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.289 5.509 -2.430 1.00 0.00 H new ATOM 960 N ILE A 64 -8.243 5.829 -0.229 1.00 0.00 N ATOM 961 CA ILE A 64 -8.300 5.979 1.213 1.00 0.00 C ATOM 962 C ILE A 64 -9.689 5.633 1.731 1.00 0.00 C ATOM 963 O ILE A 64 -9.839 4.823 2.638 1.00 0.00 O ATOM 964 CB ILE A 64 -7.979 7.435 1.604 1.00 0.00 C ATOM 965 CG1 ILE A 64 -6.526 7.774 1.273 1.00 0.00 C ATOM 966 CG2 ILE A 64 -8.257 7.695 3.085 1.00 0.00 C ATOM 967 CD1 ILE A 64 -6.183 9.230 1.489 1.00 0.00 C ATOM 0 H ILE A 64 -8.118 6.708 -0.731 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.568 5.303 1.654 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.635 8.082 1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.869 7.159 1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.328 7.512 0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.019 8.732 3.323 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.310 7.507 3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -7.641 7.032 3.693 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.137 9.399 1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.816 9.851 0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.349 9.492 2.534 1.00 0.00 H new ATOM 979 N ASP A 65 -10.699 6.271 1.156 1.00 0.00 N ATOM 980 CA ASP A 65 -12.082 6.055 1.565 1.00 0.00 C ATOM 981 C ASP A 65 -12.639 4.742 1.026 1.00 0.00 C ATOM 982 O ASP A 65 -13.677 4.268 1.487 1.00 0.00 O ATOM 983 CB ASP A 65 -12.952 7.217 1.083 1.00 0.00 C ATOM 984 CG ASP A 65 -14.395 7.085 1.530 1.00 0.00 C ATOM 985 OD1 ASP A 65 -14.698 7.475 2.676 1.00 0.00 O ATOM 986 OD2 ASP A 65 -15.219 6.586 0.736 1.00 0.00 O ATOM 0 H ASP A 65 -10.586 6.947 0.400 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.098 6.001 2.654 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.542 8.154 1.460 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.915 7.268 -0.005 1.00 0.00 H new ATOM 991 N ASN A 66 -11.968 4.168 0.036 1.00 0.00 N ATOM 992 CA ASN A 66 -12.437 2.921 -0.566 1.00 0.00 C ATOM 993 C ASN A 66 -11.692 1.701 -0.032 1.00 0.00 C ATOM 994 O ASN A 66 -12.290 0.644 0.177 1.00 0.00 O ATOM 995 CB ASN A 66 -12.305 2.985 -2.088 1.00 0.00 C ATOM 996 CG ASN A 66 -13.089 1.886 -2.779 1.00 0.00 C ATOM 997 OD1 ASN A 66 -12.518 1.031 -3.457 1.00 0.00 O ATOM 998 ND2 ASN A 66 -14.406 1.905 -2.610 1.00 0.00 N ATOM 0 H ASN A 66 -11.107 4.538 -0.366 1.00 0.00 H new ATOM 0 HA ASN A 66 -13.486 2.809 -0.292 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.655 3.955 -2.441 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -11.253 2.906 -2.363 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -14.987 1.192 -3.051 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -14.837 2.633 -2.039 1.00 0.00 H new ATOM 1005 N MET A 67 -10.388 1.837 0.168 1.00 0.00 N ATOM 1006 CA MET A 67 -9.577 0.726 0.655 1.00 0.00 C ATOM 1007 C MET A 67 -9.601 0.624 2.181 1.00 0.00 C ATOM 1008 O MET A 67 -9.333 -0.440 2.739 1.00 0.00 O ATOM 1009 CB MET A 67 -8.138 0.877 0.164 1.00 0.00 C ATOM 1010 CG MET A 67 -7.417 -0.446 -0.029 1.00 0.00 C ATOM 1011 SD MET A 67 -7.701 -1.159 -1.660 1.00 0.00 S ATOM 1012 CE MET A 67 -9.054 -2.278 -1.311 1.00 0.00 C ATOM 0 H MET A 67 -9.870 2.700 0.002 1.00 0.00 H new ATOM 0 HA MET A 67 -10.006 -0.194 0.258 1.00 0.00 H new ATOM 0 HB2 MET A 67 -8.141 1.420 -0.781 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.581 1.483 0.879 1.00 0.00 H new ATOM 0 HG2 MET A 67 -6.347 -0.297 0.117 1.00 0.00 H new ATOM 0 HG3 MET A 67 -7.748 -1.151 0.734 1.00 0.00 H new ATOM 0 HE1 MET A 67 -8.808 -3.273 -1.682 1.00 0.00 H new ATOM 0 HE2 MET A 67 -9.221 -2.323 -0.235 1.00 0.00 H new ATOM 0 HE3 MET A 67 -9.958 -1.921 -1.804 1.00 0.00 H new ATOM 1022 N ASN A 68 -9.914 1.728 2.855 1.00 0.00 N ATOM 1023 CA ASN A 68 -9.956 1.740 4.317 1.00 0.00 C ATOM 1024 C ASN A 68 -10.852 0.635 4.861 1.00 0.00 C ATOM 1025 O ASN A 68 -12.068 0.656 4.674 1.00 0.00 O ATOM 1026 CB ASN A 68 -10.446 3.093 4.835 1.00 0.00 C ATOM 1027 CG ASN A 68 -9.733 3.519 6.100 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -8.527 3.318 6.245 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -10.477 4.115 7.026 1.00 0.00 N ATOM 0 H ASN A 68 -10.141 2.621 2.417 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.939 1.566 4.668 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.297 3.850 4.065 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.518 3.039 5.026 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.052 4.426 7.899 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.473 4.261 6.863 1.00 0.00 H new ATOM 1036 N GLU A 69 -10.238 -0.323 5.545 1.00 0.00 N ATOM 1037 CA GLU A 69 -10.972 -1.437 6.133 1.00 0.00 C ATOM 1038 C GLU A 69 -11.568 -2.336 5.055 1.00 0.00 C ATOM 1039 O GLU A 69 -12.751 -2.674 5.098 1.00 0.00 O ATOM 1040 CB GLU A 69 -12.078 -0.916 7.056 1.00 0.00 C ATOM 1041 CG GLU A 69 -12.386 -1.845 8.218 1.00 0.00 C ATOM 1042 CD GLU A 69 -11.420 -1.674 9.375 1.00 0.00 C ATOM 1043 OE1 GLU A 69 -11.440 -0.600 10.010 1.00 0.00 O ATOM 1044 OE2 GLU A 69 -10.642 -2.614 9.643 1.00 0.00 O ATOM 0 H GLU A 69 -9.231 -0.351 5.706 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.270 -2.030 6.718 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.784 0.058 7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.986 -0.764 6.472 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.402 -1.659 8.567 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.352 -2.878 7.871 1.00 0.00 H new ATOM 1051 N SER A 70 -10.741 -2.727 4.092 1.00 0.00 N ATOM 1052 CA SER A 70 -11.186 -3.595 3.007 1.00 0.00 C ATOM 1053 C SER A 70 -10.631 -5.005 3.187 1.00 0.00 C ATOM 1054 O SER A 70 -10.139 -5.356 4.260 1.00 0.00 O ATOM 1055 CB SER A 70 -10.751 -3.026 1.655 1.00 0.00 C ATOM 1056 OG SER A 70 -11.697 -3.334 0.646 1.00 0.00 O ATOM 0 H SER A 70 -9.759 -2.457 4.040 1.00 0.00 H new ATOM 0 HA SER A 70 -12.275 -3.644 3.032 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.635 -1.945 1.732 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.777 -3.432 1.382 1.00 0.00 H new ATOM 0 HG SER A 70 -11.241 -3.410 -0.218 1.00 0.00 H new ATOM 1062 N GLU A 71 -10.713 -5.809 2.130 1.00 0.00 N ATOM 1063 CA GLU A 71 -10.216 -7.180 2.173 1.00 0.00 C ATOM 1064 C GLU A 71 -9.412 -7.504 0.918 1.00 0.00 C ATOM 1065 O GLU A 71 -9.876 -7.292 -0.201 1.00 0.00 O ATOM 1066 CB GLU A 71 -11.384 -8.161 2.322 1.00 0.00 C ATOM 1067 CG GLU A 71 -11.209 -9.149 3.463 1.00 0.00 C ATOM 1068 CD GLU A 71 -12.094 -10.373 3.314 1.00 0.00 C ATOM 1069 OE1 GLU A 71 -13.086 -10.298 2.560 1.00 0.00 O ATOM 1070 OE2 GLU A 71 -11.794 -11.402 3.954 1.00 0.00 O ATOM 0 H GLU A 71 -11.118 -5.535 1.235 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.558 -7.280 3.036 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.303 -7.597 2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.504 -8.713 1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.166 -9.463 3.511 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.436 -8.653 4.407 1.00 0.00 H new ATOM 1077 N LEU A 72 -8.204 -8.024 1.113 1.00 0.00 N ATOM 1078 CA LEU A 72 -7.336 -8.381 -0.004 1.00 0.00 C ATOM 1079 C LEU A 72 -6.630 -9.702 0.272 1.00 0.00 C ATOM 1080 O LEU A 72 -5.940 -9.845 1.281 1.00 0.00 O ATOM 1081 CB LEU A 72 -6.310 -7.274 -0.257 1.00 0.00 C ATOM 1082 CG LEU A 72 -6.350 -6.663 -1.659 1.00 0.00 C ATOM 1083 CD1 LEU A 72 -7.640 -5.877 -1.869 1.00 0.00 C ATOM 1084 CD2 LEU A 72 -5.131 -5.778 -1.887 1.00 0.00 C ATOM 0 H LEU A 72 -7.804 -8.207 2.033 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.951 -8.496 -0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.467 -6.480 0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.313 -7.677 -0.081 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.327 -7.472 -2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.647 -5.451 -2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.495 -6.543 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.701 -5.075 -1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.174 -5.351 -2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.121 -4.975 -1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.224 -6.374 -1.786 1.00 0.00 H new ATOM 1096 N PHE A 73 -6.810 -10.670 -0.621 1.00 0.00 N ATOM 1097 CA PHE A 73 -6.191 -11.978 -0.452 1.00 0.00 C ATOM 1098 C PHE A 73 -6.624 -12.593 0.874 1.00 0.00 C ATOM 1099 O PHE A 73 -5.826 -13.220 1.572 1.00 0.00 O ATOM 1100 CB PHE A 73 -4.665 -11.856 -0.502 1.00 0.00 C ATOM 1101 CG PHE A 73 -4.119 -11.714 -1.894 1.00 0.00 C ATOM 1102 CD1 PHE A 73 -4.319 -12.713 -2.832 1.00 0.00 C ATOM 1103 CD2 PHE A 73 -3.408 -10.583 -2.268 1.00 0.00 C ATOM 1104 CE1 PHE A 73 -3.821 -12.590 -4.116 1.00 0.00 C ATOM 1105 CE2 PHE A 73 -2.907 -10.454 -3.551 1.00 0.00 C ATOM 1106 CZ PHE A 73 -3.113 -11.460 -4.475 1.00 0.00 C ATOM 0 H PHE A 73 -7.376 -10.574 -1.464 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.515 -12.626 -1.266 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.358 -10.993 0.090 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.223 -12.736 -0.035 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.871 -13.600 -2.557 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.244 -9.794 -1.549 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.986 -13.377 -4.837 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.356 -9.568 -3.830 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.721 -11.363 -5.477 1.00 0.00 H new ATOM 1116 N GLY A 74 -7.894 -12.398 1.216 1.00 0.00 N ATOM 1117 CA GLY A 74 -8.422 -12.927 2.459 1.00 0.00 C ATOM 1118 C GLY A 74 -7.866 -12.211 3.677 1.00 0.00 C ATOM 1119 O GLY A 74 -8.006 -12.693 4.802 1.00 0.00 O ATOM 0 H GLY A 74 -8.568 -11.881 0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.509 -12.840 2.455 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.187 -13.989 2.527 1.00 0.00 H new ATOM 1123 N ARG A 75 -7.230 -11.062 3.455 1.00 0.00 N ATOM 1124 CA ARG A 75 -6.647 -10.287 4.542 1.00 0.00 C ATOM 1125 C ARG A 75 -7.247 -8.888 4.614 1.00 0.00 C ATOM 1126 O ARG A 75 -7.442 -8.225 3.597 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.132 -10.193 4.364 1.00 0.00 C ATOM 1128 CG ARG A 75 -4.470 -11.538 4.121 1.00 0.00 C ATOM 1129 CD ARG A 75 -3.691 -12.004 5.339 1.00 0.00 C ATOM 1130 NE ARG A 75 -3.452 -13.445 5.320 1.00 0.00 N ATOM 1131 CZ ARG A 75 -4.401 -14.357 5.516 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -5.655 -13.983 5.744 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -4.098 -15.647 5.486 1.00 0.00 N ATOM 0 H ARG A 75 -7.107 -10.649 2.530 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.873 -10.800 5.477 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.912 -9.531 3.526 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.696 -9.737 5.253 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.229 -12.278 3.869 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.799 -11.465 3.265 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.737 -11.479 5.381 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.240 -11.740 6.243 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.501 -13.771 5.146 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.895 -12.992 5.770 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.378 -14.687 5.893 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.137 -15.941 5.313 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.826 -16.345 5.636 1.00 0.00 H new ATOM 1147 N THR A 76 -7.523 -8.448 5.834 1.00 0.00 N ATOM 1148 CA THR A 76 -8.087 -7.128 6.071 1.00 0.00 C ATOM 1149 C THR A 76 -7.011 -6.065 5.905 1.00 0.00 C ATOM 1150 O THR A 76 -6.001 -6.082 6.606 1.00 0.00 O ATOM 1151 CB THR A 76 -8.680 -7.053 7.478 1.00 0.00 C ATOM 1152 OG1 THR A 76 -9.565 -8.136 7.708 1.00 0.00 O ATOM 1153 CG2 THR A 76 -9.443 -5.775 7.746 1.00 0.00 C ATOM 0 H THR A 76 -7.363 -8.992 6.682 1.00 0.00 H new ATOM 0 HA THR A 76 -8.879 -6.949 5.344 1.00 0.00 H new ATOM 0 HB THR A 76 -7.823 -7.090 8.150 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.933 -8.071 8.614 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.835 -5.792 8.763 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.776 -4.921 7.628 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.269 -5.690 7.040 1.00 0.00 H new ATOM 1161 N ILE A 77 -7.228 -5.144 4.976 1.00 0.00 N ATOM 1162 CA ILE A 77 -6.270 -4.081 4.727 1.00 0.00 C ATOM 1163 C ILE A 77 -6.813 -2.729 5.163 1.00 0.00 C ATOM 1164 O ILE A 77 -8.021 -2.495 5.162 1.00 0.00 O ATOM 1165 CB ILE A 77 -5.881 -4.001 3.237 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -7.132 -3.949 2.355 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -4.997 -5.178 2.851 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -6.824 -3.742 0.888 1.00 0.00 C ATOM 0 H ILE A 77 -8.058 -5.113 4.384 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.385 -4.323 5.315 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.315 -3.083 3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -7.690 -4.877 2.474 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.778 -3.142 2.701 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.733 -5.104 1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.089 -5.164 3.454 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.535 -6.110 3.026 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.755 -3.715 0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.292 -2.800 0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -6.203 -4.562 0.527 1.00 0.00 H new ATOM 1180 N ARG A 78 -5.899 -1.842 5.521 1.00 0.00 N ATOM 1181 CA ARG A 78 -6.246 -0.492 5.949 1.00 0.00 C ATOM 1182 C ARG A 78 -5.339 0.520 5.268 1.00 0.00 C ATOM 1183 O ARG A 78 -4.134 0.300 5.152 1.00 0.00 O ATOM 1184 CB ARG A 78 -6.125 -0.363 7.468 1.00 0.00 C ATOM 1185 CG ARG A 78 -6.551 0.999 7.991 1.00 0.00 C ATOM 1186 CD ARG A 78 -6.248 1.145 9.473 1.00 0.00 C ATOM 1187 NE ARG A 78 -6.927 2.298 10.057 1.00 0.00 N ATOM 1188 CZ ARG A 78 -6.820 2.649 11.337 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -6.065 1.940 12.166 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -7.474 3.711 11.790 1.00 0.00 N ATOM 0 H ARG A 78 -4.897 -2.034 5.524 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.279 -0.293 5.664 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.735 -1.133 7.941 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.092 -0.550 7.761 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.035 1.781 7.434 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.619 1.138 7.821 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.554 0.240 9.997 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.172 1.247 9.615 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.517 2.867 9.450 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.562 1.121 11.824 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.987 2.214 13.145 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.058 4.258 11.158 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.392 3.980 12.770 1.00 0.00 H new ATOM 1204 N VAL A 79 -5.911 1.629 4.813 1.00 0.00 N ATOM 1205 CA VAL A 79 -5.127 2.657 4.142 1.00 0.00 C ATOM 1206 C VAL A 79 -5.194 3.989 4.886 1.00 0.00 C ATOM 1207 O VAL A 79 -6.171 4.280 5.575 1.00 0.00 O ATOM 1208 CB VAL A 79 -5.602 2.845 2.686 1.00 0.00 C ATOM 1209 CG1 VAL A 79 -4.866 3.994 2.016 1.00 0.00 C ATOM 1210 CG2 VAL A 79 -5.405 1.556 1.906 1.00 0.00 C ATOM 0 H VAL A 79 -6.906 1.838 4.896 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.090 2.321 4.137 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.664 3.092 2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.220 4.104 0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.053 4.916 2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.796 3.786 2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.743 1.697 0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.348 1.288 1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.982 0.757 2.371 1.00 0.00 H new ATOM 1220 N ASN A 80 -4.138 4.791 4.747 1.00 0.00 N ATOM 1221 CA ASN A 80 -4.071 6.087 5.412 1.00 0.00 C ATOM 1222 C ASN A 80 -3.091 7.025 4.716 1.00 0.00 C ATOM 1223 O ASN A 80 -2.269 6.596 3.911 1.00 0.00 O ATOM 1224 CB ASN A 80 -3.672 5.909 6.877 1.00 0.00 C ATOM 1225 CG ASN A 80 -4.858 5.559 7.755 1.00 0.00 C ATOM 1226 OD1 ASN A 80 -5.974 6.024 7.523 1.00 0.00 O ATOM 1227 ND2 ASN A 80 -4.620 4.737 8.771 1.00 0.00 N ATOM 0 H ASN A 80 -3.320 4.564 4.181 1.00 0.00 H new ATOM 0 HA ASN A 80 -5.062 6.538 5.359 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.920 5.123 6.954 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.211 6.828 7.241 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.379 4.467 9.397 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.679 4.376 8.925 1.00 0.00 H new ATOM 1234 N LEU A 81 -3.191 8.313 5.039 1.00 0.00 N ATOM 1235 CA LEU A 81 -2.320 9.329 4.453 1.00 0.00 C ATOM 1236 C LEU A 81 -0.891 9.229 4.991 1.00 0.00 C ATOM 1237 O LEU A 81 -0.016 9.994 4.583 1.00 0.00 O ATOM 1238 CB LEU A 81 -2.882 10.726 4.734 1.00 0.00 C ATOM 1239 CG LEU A 81 -2.388 11.831 3.790 1.00 0.00 C ATOM 1240 CD1 LEU A 81 -3.502 12.281 2.854 1.00 0.00 C ATOM 1241 CD2 LEU A 81 -1.846 13.014 4.582 1.00 0.00 C ATOM 0 H LEU A 81 -3.870 8.679 5.707 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.286 9.155 3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.970 10.681 4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.628 11.004 5.757 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.578 11.422 3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.129 13.064 2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.840 11.434 2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.336 12.667 3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.501 13.786 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.635 13.419 5.216 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.014 12.685 5.204 1.00 0.00 H new ATOM 1253 N ALA A 82 -0.653 8.292 5.910 1.00 0.00 N ATOM 1254 CA ALA A 82 0.672 8.108 6.495 1.00 0.00 C ATOM 1255 C ALA A 82 1.010 9.243 7.457 1.00 0.00 C ATOM 1256 O ALA A 82 0.558 10.374 7.282 1.00 0.00 O ATOM 1257 CB ALA A 82 1.732 8.001 5.403 1.00 0.00 C ATOM 0 H ALA A 82 -1.362 7.650 6.264 1.00 0.00 H new ATOM 0 HA ALA A 82 0.662 7.177 7.061 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.712 7.864 5.860 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.509 7.149 4.761 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.734 8.913 4.807 1.00 0.00 H new ATOM 1263 N LYS A 83 1.808 8.930 8.475 1.00 0.00 N ATOM 1264 CA LYS A 83 2.206 9.923 9.466 1.00 0.00 C ATOM 1265 C LYS A 83 0.986 10.491 10.184 1.00 0.00 C ATOM 1266 O LYS A 83 -0.150 10.299 9.747 1.00 0.00 O ATOM 1267 CB LYS A 83 3.002 11.050 8.801 1.00 0.00 C ATOM 1268 CG LYS A 83 4.401 11.224 9.367 1.00 0.00 C ATOM 1269 CD LYS A 83 5.035 12.524 8.898 1.00 0.00 C ATOM 1270 CE LYS A 83 6.352 12.792 9.610 1.00 0.00 C ATOM 1271 NZ LYS A 83 7.510 12.200 8.883 1.00 0.00 N ATOM 0 H LYS A 83 2.191 7.998 8.634 1.00 0.00 H new ATOM 0 HA LYS A 83 2.841 9.433 10.204 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.074 10.850 7.732 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.455 11.986 8.914 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.358 11.211 10.456 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.025 10.383 9.063 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.205 12.480 7.822 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.348 13.351 9.079 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.498 13.868 9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.309 12.381 10.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.388 12.406 9.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.384 11.170 8.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.568 12.610 7.929 1.00 0.00 H new TER 1285 LYS A 83