USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 899 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 18 THR OG1 : rot 180:sc= 0.496 USER MOD Set 1.2: A 21 SER OG : rot 95:sc= 0.674 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.341 (180deg=-0.513) USER MOD Single : A 6 LYS NZ :NH3+ -161:sc= -0.0621 (180deg=-0.381) USER MOD Single : A 7 THR OG1 : rot 39:sc= 0.0332 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 157:sc= 0.739 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -168:sc= -0.0199 (180deg=-0.188) USER MOD Single : A 27 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 167:sc= -0.0125 (180deg=-0.204) USER MOD Single : A 40 TYR OH : rot -153:sc= -0.791 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -1.29 K(o=-1.3,f=-6.5!) USER MOD Single : A 52 GLN : amide:sc= 0.766 K(o=0.77,f=-5.5!) USER MOD Single : A 58 LYS NZ :NH3+ -133:sc= 0.843 (180deg=-0.0886) USER MOD Single : A 62 THR OG1 : rot -129:sc= 0 USER MOD Single : A 64 THR OG1 : rot 116:sc= 1.23 USER MOD Single : A 67 LYS NZ :NH3+ -171:sc= -1.24 (180deg=-1.42!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.0319 K(o=-0.032,f=-3.9) USER MOD Single : A 85 LYS NZ :NH3+ -171:sc=-0.00282 (180deg=-0.0926) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -159:sc= -0.0848 (180deg=-0.496) USER MOD Single : A 106 LYS NZ :NH3+ 131:sc= -0.0378 (180deg=-0.302) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.203 -12.549 -18.326 1.00 0.00 N ATOM 2 CA MET A 1 -15.265 -11.529 -17.244 1.00 0.00 C ATOM 3 C MET A 1 -14.335 -11.904 -16.097 1.00 0.00 C ATOM 4 O MET A 1 -14.222 -11.178 -15.109 1.00 0.00 O ATOM 5 CB MET A 1 -16.700 -11.392 -16.729 1.00 0.00 C ATOM 6 CG MET A 1 -17.693 -10.962 -17.796 1.00 0.00 C ATOM 7 SD MET A 1 -19.384 -10.874 -17.177 1.00 0.00 S ATOM 8 CE MET A 1 -20.282 -10.521 -18.686 1.00 0.00 C ATOM 0 H1 MET A 1 -15.764 -12.226 -19.140 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.214 -12.685 -18.619 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.587 -13.450 -17.976 1.00 0.00 H new ATOM 0 HA MET A 1 -14.941 -10.573 -17.655 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.020 -12.347 -16.311 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.717 -10.667 -15.916 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.402 -9.987 -18.186 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.651 -11.664 -18.629 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.346 -10.438 -18.465 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.925 -9.583 -19.111 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.122 -11.328 -19.402 1.00 0.00 H new ATOM 20 N ALA A 2 -13.673 -13.044 -16.238 1.00 0.00 N ATOM 21 CA ALA A 2 -12.749 -13.525 -15.218 1.00 0.00 C ATOM 22 C ALA A 2 -11.301 -13.270 -15.632 1.00 0.00 C ATOM 23 O ALA A 2 -10.820 -13.849 -16.608 1.00 0.00 O ATOM 24 CB ALA A 2 -12.972 -15.008 -14.960 1.00 0.00 C ATOM 0 H ALA A 2 -13.758 -13.655 -17.050 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.942 -12.976 -14.297 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.275 -15.353 -14.196 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.994 -15.168 -14.617 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.807 -15.567 -15.881 1.00 0.00 H new ATOM 30 N PRO A 3 -10.597 -12.378 -14.906 1.00 0.00 N ATOM 31 CA PRO A 3 -9.190 -12.045 -15.190 1.00 0.00 C ATOM 32 C PRO A 3 -8.268 -13.257 -15.095 1.00 0.00 C ATOM 33 O PRO A 3 -8.487 -14.160 -14.287 1.00 0.00 O ATOM 34 CB PRO A 3 -8.836 -11.022 -14.104 1.00 0.00 C ATOM 35 CG PRO A 3 -10.147 -10.461 -13.677 1.00 0.00 C ATOM 36 CD PRO A 3 -11.115 -11.605 -13.763 1.00 0.00 C ATOM 0 HA PRO A 3 -9.064 -11.672 -16.206 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.315 -11.493 -13.270 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.179 -10.244 -14.491 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.094 -10.066 -12.662 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.452 -9.638 -14.324 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.128 -12.195 -12.847 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.135 -11.261 -13.935 1.00 0.00 H new ATOM 44 N LEU A 4 -7.229 -13.263 -15.922 1.00 0.00 N ATOM 45 CA LEU A 4 -6.275 -14.367 -15.945 1.00 0.00 C ATOM 46 C LEU A 4 -5.081 -14.072 -15.039 1.00 0.00 C ATOM 47 O LEU A 4 -4.138 -14.859 -14.957 1.00 0.00 O ATOM 48 CB LEU A 4 -5.791 -14.613 -17.378 1.00 0.00 C ATOM 49 CG LEU A 4 -6.900 -14.853 -18.409 1.00 0.00 C ATOM 50 CD1 LEU A 4 -6.306 -15.088 -19.787 1.00 0.00 C ATOM 51 CD2 LEU A 4 -7.784 -16.022 -17.999 1.00 0.00 C ATOM 0 H LEU A 4 -7.025 -12.516 -16.586 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.778 -15.261 -15.575 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.200 -13.755 -17.697 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.125 -15.476 -17.377 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.522 -13.959 -18.449 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.108 -15.256 -20.505 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.727 -14.215 -20.088 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.655 -15.962 -19.758 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.562 -16.170 -18.748 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.179 -16.925 -17.921 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.245 -15.809 -17.034 1.00 0.00 H new ATOM 63 N ARG A 5 -5.133 -12.931 -14.363 1.00 0.00 N ATOM 64 CA ARG A 5 -4.059 -12.514 -13.470 1.00 0.00 C ATOM 65 C ARG A 5 -4.621 -12.009 -12.145 1.00 0.00 C ATOM 66 O ARG A 5 -5.803 -11.672 -12.051 1.00 0.00 O ATOM 67 CB ARG A 5 -3.204 -11.426 -14.125 1.00 0.00 C ATOM 68 CG ARG A 5 -4.013 -10.440 -14.945 1.00 0.00 C ATOM 69 CD ARG A 5 -3.974 -10.788 -16.422 1.00 0.00 C ATOM 70 NE ARG A 5 -4.958 -10.032 -17.192 1.00 0.00 N ATOM 71 CZ ARG A 5 -5.138 -10.173 -18.502 1.00 0.00 C ATOM 72 NH1 ARG A 5 -4.402 -11.040 -19.185 1.00 0.00 N ATOM 73 NH2 ARG A 5 -6.053 -9.444 -19.129 1.00 0.00 N ATOM 0 H ARG A 5 -5.912 -12.275 -14.417 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.431 -13.382 -13.273 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.661 -10.884 -13.350 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -2.459 -11.896 -14.767 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.046 -10.436 -14.597 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -3.623 -9.433 -14.796 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.977 -10.589 -16.814 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.159 -11.855 -16.547 1.00 0.00 H new ATOM 0 HE ARG A 5 -5.541 -9.357 -16.697 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.697 -11.600 -18.705 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.541 -11.147 -20.190 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -6.618 -8.775 -18.606 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -6.191 -9.552 -20.134 1.00 0.00 H new ATOM 87 N LYS A 6 -3.770 -11.961 -11.124 1.00 0.00 N ATOM 88 CA LYS A 6 -4.181 -11.498 -9.801 1.00 0.00 C ATOM 89 C LYS A 6 -3.956 -10.001 -9.642 1.00 0.00 C ATOM 90 O LYS A 6 -4.292 -9.421 -8.608 1.00 0.00 O ATOM 91 CB LYS A 6 -3.417 -12.248 -8.712 1.00 0.00 C ATOM 92 CG LYS A 6 -3.675 -13.747 -8.719 1.00 0.00 C ATOM 93 CD LYS A 6 -3.439 -14.367 -7.352 1.00 0.00 C ATOM 94 CE LYS A 6 -1.959 -14.432 -6.994 1.00 0.00 C ATOM 95 NZ LYS A 6 -1.191 -15.270 -7.958 1.00 0.00 N ATOM 0 H LYS A 6 -2.790 -12.237 -11.187 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.247 -11.699 -9.700 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.349 -12.070 -8.839 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.695 -11.843 -7.739 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.702 -13.938 -9.032 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.024 -14.224 -9.452 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.968 -13.787 -6.596 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.859 -15.373 -7.334 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.544 -13.424 -6.979 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.846 -14.839 -5.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.289 -15.556 -7.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.744 -16.117 -8.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.003 -14.722 -8.822 1.00 0.00 H new ATOM 109 N THR A 7 -3.385 -9.379 -10.662 1.00 0.00 N ATOM 110 CA THR A 7 -3.116 -7.954 -10.618 1.00 0.00 C ATOM 111 C THR A 7 -4.308 -7.143 -11.105 1.00 0.00 C ATOM 112 O THR A 7 -4.831 -7.370 -12.197 1.00 0.00 O ATOM 113 CB THR A 7 -1.889 -7.590 -11.473 1.00 0.00 C ATOM 114 OG1 THR A 7 -1.916 -8.328 -12.702 1.00 0.00 O ATOM 115 CG2 THR A 7 -0.595 -7.877 -10.731 1.00 0.00 C ATOM 0 H THR A 7 -3.100 -9.839 -11.527 1.00 0.00 H new ATOM 0 HA THR A 7 -2.918 -7.709 -9.574 1.00 0.00 H new ATOM 0 HB THR A 7 -1.930 -6.522 -11.685 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.837 -8.381 -13.032 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.253 -7.609 -11.361 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.564 -7.290 -9.813 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.544 -8.938 -10.485 1.00 0.00 H new ATOM 123 N ALA A 8 -4.725 -6.199 -10.279 1.00 0.00 N ATOM 124 CA ALA A 8 -5.838 -5.322 -10.606 1.00 0.00 C ATOM 125 C ALA A 8 -5.353 -4.126 -11.409 1.00 0.00 C ATOM 126 O ALA A 8 -4.202 -3.706 -11.278 1.00 0.00 O ATOM 127 CB ALA A 8 -6.538 -4.866 -9.342 1.00 0.00 C ATOM 0 H ALA A 8 -4.305 -6.019 -9.367 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.551 -5.878 -11.214 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.369 -4.210 -9.603 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.916 -5.734 -8.802 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.833 -4.325 -8.711 1.00 0.00 H new ATOM 133 N VAL A 9 -6.230 -3.573 -12.232 1.00 0.00 N ATOM 134 CA VAL A 9 -5.871 -2.435 -13.056 1.00 0.00 C ATOM 135 C VAL A 9 -6.640 -1.188 -12.634 1.00 0.00 C ATOM 136 O VAL A 9 -7.873 -1.182 -12.594 1.00 0.00 O ATOM 137 CB VAL A 9 -6.139 -2.713 -14.552 1.00 0.00 C ATOM 138 CG1 VAL A 9 -5.768 -1.505 -15.411 1.00 0.00 C ATOM 139 CG2 VAL A 9 -5.375 -3.946 -15.012 1.00 0.00 C ATOM 0 H VAL A 9 -7.192 -3.894 -12.345 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.804 -2.266 -12.914 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.206 -2.899 -14.673 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.967 -1.729 -16.459 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.363 -0.644 -15.105 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.709 -1.279 -15.283 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.576 -4.126 -16.068 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.306 -3.786 -14.868 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.694 -4.810 -14.430 1.00 0.00 H new ATOM 149 N LEU A 10 -5.899 -0.140 -12.331 1.00 0.00 N ATOM 150 CA LEU A 10 -6.485 1.133 -11.943 1.00 0.00 C ATOM 151 C LEU A 10 -6.192 2.147 -13.029 1.00 0.00 C ATOM 152 O LEU A 10 -5.049 2.269 -13.471 1.00 0.00 O ATOM 153 CB LEU A 10 -5.910 1.645 -10.618 1.00 0.00 C ATOM 154 CG LEU A 10 -6.545 1.117 -9.324 1.00 0.00 C ATOM 155 CD1 LEU A 10 -5.631 1.404 -8.145 1.00 0.00 C ATOM 156 CD2 LEU A 10 -7.909 1.759 -9.091 1.00 0.00 C ATOM 0 H LEU A 10 -4.879 -0.144 -12.346 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.558 0.991 -11.811 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.847 1.403 -10.595 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.989 2.732 -10.614 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.682 0.040 -9.421 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.088 1.027 -7.230 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.671 0.912 -8.301 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.478 2.480 -8.057 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.341 1.371 -8.169 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.793 2.840 -9.011 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.568 1.526 -9.927 1.00 0.00 H new ATOM 168 N LYS A 11 -7.200 2.884 -13.459 1.00 0.00 N ATOM 169 CA LYS A 11 -6.990 3.886 -14.485 1.00 0.00 C ATOM 170 C LYS A 11 -7.190 5.271 -13.897 1.00 0.00 C ATOM 171 O LYS A 11 -8.217 5.556 -13.277 1.00 0.00 O ATOM 172 CB LYS A 11 -7.910 3.687 -15.696 1.00 0.00 C ATOM 173 CG LYS A 11 -7.568 2.465 -16.532 1.00 0.00 C ATOM 174 CD LYS A 11 -8.480 2.348 -17.743 1.00 0.00 C ATOM 175 CE LYS A 11 -8.120 1.143 -18.597 1.00 0.00 C ATOM 176 NZ LYS A 11 -9.011 1.014 -19.784 1.00 0.00 N ATOM 0 H LYS A 11 -8.159 2.809 -13.119 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.966 3.779 -14.842 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.939 3.601 -15.348 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.860 4.574 -16.328 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.530 2.526 -16.861 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.656 1.567 -15.920 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.516 2.265 -17.413 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.408 3.255 -18.343 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.085 1.230 -18.928 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.187 0.238 -17.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.731 0.180 -20.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.996 0.905 -19.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.928 1.866 -20.374 1.00 0.00 H new ATOM 190 N LEU A 12 -6.195 6.120 -14.080 1.00 0.00 N ATOM 191 CA LEU A 12 -6.256 7.477 -13.577 1.00 0.00 C ATOM 192 C LEU A 12 -6.479 8.428 -14.735 1.00 0.00 C ATOM 193 O LEU A 12 -5.693 8.443 -15.680 1.00 0.00 O ATOM 194 CB LEU A 12 -4.955 7.845 -12.857 1.00 0.00 C ATOM 195 CG LEU A 12 -5.118 8.448 -11.457 1.00 0.00 C ATOM 196 CD1 LEU A 12 -3.761 8.811 -10.879 1.00 0.00 C ATOM 197 CD2 LEU A 12 -6.022 9.671 -11.493 1.00 0.00 C ATOM 0 H LEU A 12 -5.333 5.891 -14.575 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.080 7.553 -12.867 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.339 6.949 -12.777 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.406 8.554 -13.477 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.585 7.700 -10.816 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.891 9.238 -9.885 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.143 7.916 -10.811 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.273 9.540 -11.526 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.121 10.080 -10.487 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.588 10.425 -12.150 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.005 9.386 -11.867 1.00 0.00 H new ATOM 209 N TYR A 13 -7.531 9.219 -14.682 1.00 0.00 N ATOM 210 CA TYR A 13 -7.808 10.156 -15.750 1.00 0.00 C ATOM 211 C TYR A 13 -7.320 11.532 -15.329 1.00 0.00 C ATOM 212 O TYR A 13 -7.780 12.078 -14.324 1.00 0.00 O ATOM 213 CB TYR A 13 -9.312 10.180 -16.030 1.00 0.00 C ATOM 214 CG TYR A 13 -9.854 8.834 -16.463 1.00 0.00 C ATOM 215 CD1 TYR A 13 -10.382 7.944 -15.533 1.00 0.00 C ATOM 216 CD2 TYR A 13 -9.828 8.445 -17.797 1.00 0.00 C ATOM 217 CE1 TYR A 13 -10.868 6.709 -15.920 1.00 0.00 C ATOM 218 CE2 TYR A 13 -10.315 7.212 -18.192 1.00 0.00 C ATOM 219 CZ TYR A 13 -10.832 6.348 -17.250 1.00 0.00 C ATOM 220 OH TYR A 13 -11.317 5.119 -17.637 1.00 0.00 O ATOM 0 H TYR A 13 -8.204 9.232 -13.916 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.292 9.856 -16.662 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -9.838 10.506 -15.133 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.520 10.916 -16.806 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -10.413 8.223 -14.490 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -9.421 9.117 -18.538 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -11.274 6.031 -15.184 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -10.290 6.927 -19.234 1.00 0.00 H new ATOM 0 HH TYR A 13 -11.565 5.149 -18.585 1.00 0.00 H new ATOM 230 N VAL A 14 -6.391 12.091 -16.090 1.00 0.00 N ATOM 231 CA VAL A 14 -5.826 13.389 -15.760 1.00 0.00 C ATOM 232 C VAL A 14 -5.964 14.368 -16.913 1.00 0.00 C ATOM 233 O VAL A 14 -6.135 13.969 -18.068 1.00 0.00 O ATOM 234 CB VAL A 14 -4.332 13.270 -15.382 1.00 0.00 C ATOM 235 CG1 VAL A 14 -4.161 12.438 -14.118 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.525 12.676 -16.529 1.00 0.00 C ATOM 0 H VAL A 14 -6.014 11.667 -16.938 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.388 13.764 -14.905 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.953 14.273 -15.186 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.102 12.367 -13.870 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.696 12.912 -13.295 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.563 11.438 -14.283 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.477 12.603 -16.237 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.906 11.682 -16.766 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.614 13.317 -17.406 1.00 0.00 H new ATOM 246 N ALA A 15 -5.878 15.652 -16.594 1.00 0.00 N ATOM 247 CA ALA A 15 -5.988 16.687 -17.602 1.00 0.00 C ATOM 248 C ALA A 15 -4.695 17.487 -17.679 1.00 0.00 C ATOM 249 O ALA A 15 -4.428 18.343 -16.831 1.00 0.00 O ATOM 250 CB ALA A 15 -7.173 17.598 -17.317 1.00 0.00 C ATOM 0 H ALA A 15 -5.733 15.997 -15.645 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.158 16.211 -18.568 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.235 18.367 -18.087 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.091 17.011 -17.316 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.043 18.070 -16.343 1.00 0.00 H new ATOM 256 N GLY A 16 -3.901 17.199 -18.709 1.00 0.00 N ATOM 257 CA GLY A 16 -2.637 17.885 -18.910 1.00 0.00 C ATOM 258 C GLY A 16 -1.668 17.690 -17.761 1.00 0.00 C ATOM 259 O GLY A 16 -1.503 16.579 -17.257 1.00 0.00 O ATOM 0 H GLY A 16 -4.115 16.494 -19.414 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.177 17.526 -19.831 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.825 18.950 -19.042 1.00 0.00 H new ATOM 263 N ASN A 17 -1.030 18.776 -17.343 1.00 0.00 N ATOM 264 CA ASN A 17 -0.069 18.725 -16.248 1.00 0.00 C ATOM 265 C ASN A 17 -0.453 19.703 -15.152 1.00 0.00 C ATOM 266 O ASN A 17 0.389 20.439 -14.634 1.00 0.00 O ATOM 267 CB ASN A 17 1.351 19.020 -16.746 1.00 0.00 C ATOM 268 CG ASN A 17 1.806 18.068 -17.837 1.00 0.00 C ATOM 269 OD1 ASN A 17 2.101 18.485 -18.955 1.00 0.00 O ATOM 270 ND2 ASN A 17 1.867 16.782 -17.517 1.00 0.00 N ATOM 0 H ASN A 17 -1.161 19.704 -17.746 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.085 17.715 -15.838 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.393 20.042 -17.122 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.044 18.960 -15.907 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.168 16.098 -18.211 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.613 16.478 -16.577 1.00 0.00 H new ATOM 277 N THR A 18 -1.733 19.716 -14.814 1.00 0.00 N ATOM 278 CA THR A 18 -2.231 20.586 -13.765 1.00 0.00 C ATOM 279 C THR A 18 -1.745 20.091 -12.417 1.00 0.00 C ATOM 280 O THR A 18 -1.449 18.907 -12.260 1.00 0.00 O ATOM 281 CB THR A 18 -3.772 20.657 -13.773 1.00 0.00 C ATOM 282 OG1 THR A 18 -4.331 19.339 -13.719 1.00 0.00 O ATOM 283 CG2 THR A 18 -4.272 21.385 -15.009 1.00 0.00 C ATOM 0 H THR A 18 -2.445 19.132 -15.253 1.00 0.00 H new ATOM 0 HA THR A 18 -1.849 21.590 -13.949 1.00 0.00 H new ATOM 0 HB THR A 18 -4.092 21.213 -12.892 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.309 19.398 -13.723 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.361 21.423 -14.993 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.874 22.400 -15.020 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.940 20.856 -15.902 1.00 0.00 H new ATOM 291 N PRO A 19 -1.652 20.986 -11.425 1.00 0.00 N ATOM 292 CA PRO A 19 -1.188 20.619 -10.086 1.00 0.00 C ATOM 293 C PRO A 19 -2.032 19.517 -9.466 1.00 0.00 C ATOM 294 O PRO A 19 -1.516 18.677 -8.738 1.00 0.00 O ATOM 295 CB PRO A 19 -1.328 21.923 -9.289 1.00 0.00 C ATOM 296 CG PRO A 19 -2.219 22.796 -10.111 1.00 0.00 C ATOM 297 CD PRO A 19 -1.949 22.421 -11.532 1.00 0.00 C ATOM 0 HA PRO A 19 -0.172 20.223 -10.099 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.759 21.738 -8.305 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.357 22.392 -9.129 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.267 22.637 -9.856 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.004 23.850 -9.936 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.809 22.612 -12.174 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.111 22.980 -11.948 1.00 0.00 H new ATOM 305 N ASN A 20 -3.325 19.524 -9.763 1.00 0.00 N ATOM 306 CA ASN A 20 -4.218 18.486 -9.246 1.00 0.00 C ATOM 307 C ASN A 20 -3.843 17.132 -9.847 1.00 0.00 C ATOM 308 O ASN A 20 -3.798 16.121 -9.148 1.00 0.00 O ATOM 309 CB ASN A 20 -5.690 18.794 -9.563 1.00 0.00 C ATOM 310 CG ASN A 20 -6.196 20.024 -8.837 1.00 0.00 C ATOM 311 OD1 ASN A 20 -6.344 21.090 -9.432 1.00 0.00 O ATOM 312 ND2 ASN A 20 -6.463 19.884 -7.545 1.00 0.00 N ATOM 0 H ASN A 20 -3.777 20.225 -10.350 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.102 18.459 -8.163 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -5.804 18.938 -10.637 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.304 17.936 -9.289 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.805 20.679 -7.006 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.326 18.981 -7.091 1.00 0.00 H new ATOM 319 N SER A 21 -3.569 17.132 -11.158 1.00 0.00 N ATOM 320 CA SER A 21 -3.177 15.921 -11.875 1.00 0.00 C ATOM 321 C SER A 21 -1.786 15.470 -11.465 1.00 0.00 C ATOM 322 O SER A 21 -1.556 14.280 -11.264 1.00 0.00 O ATOM 323 CB SER A 21 -3.225 16.160 -13.384 1.00 0.00 C ATOM 324 OG SER A 21 -4.550 16.419 -13.821 1.00 0.00 O ATOM 0 H SER A 21 -3.613 17.966 -11.744 1.00 0.00 H new ATOM 0 HA SER A 21 -3.883 15.132 -11.616 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.583 17.002 -13.642 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.831 15.288 -13.906 1.00 0.00 H new ATOM 0 HG SER A 21 -4.699 17.387 -13.859 1.00 0.00 H new ATOM 330 N VAL A 22 -0.865 16.415 -11.341 1.00 0.00 N ATOM 331 CA VAL A 22 0.495 16.091 -10.937 1.00 0.00 C ATOM 332 C VAL A 22 0.512 15.541 -9.511 1.00 0.00 C ATOM 333 O VAL A 22 1.177 14.543 -9.226 1.00 0.00 O ATOM 334 CB VAL A 22 1.432 17.312 -11.052 1.00 0.00 C ATOM 335 CG1 VAL A 22 2.771 17.041 -10.387 1.00 0.00 C ATOM 336 CG2 VAL A 22 1.626 17.702 -12.509 1.00 0.00 C ATOM 0 H VAL A 22 -1.033 17.406 -11.513 1.00 0.00 H new ATOM 0 HA VAL A 22 0.866 15.325 -11.618 1.00 0.00 H new ATOM 0 HB VAL A 22 0.962 18.146 -10.530 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.410 17.919 -10.484 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.615 16.821 -9.331 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.250 16.188 -10.868 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.290 18.565 -12.569 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.066 16.867 -13.054 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.662 17.955 -12.950 1.00 0.00 H new ATOM 346 N ARG A 23 -0.241 16.192 -8.632 1.00 0.00 N ATOM 347 CA ARG A 23 -0.331 15.785 -7.236 1.00 0.00 C ATOM 348 C ARG A 23 -0.921 14.389 -7.129 1.00 0.00 C ATOM 349 O ARG A 23 -0.396 13.528 -6.420 1.00 0.00 O ATOM 350 CB ARG A 23 -1.235 16.754 -6.489 1.00 0.00 C ATOM 351 CG ARG A 23 -0.893 16.938 -5.023 1.00 0.00 C ATOM 352 CD ARG A 23 -0.116 18.222 -4.805 1.00 0.00 C ATOM 353 NE ARG A 23 0.163 18.462 -3.391 1.00 0.00 N ATOM 354 CZ ARG A 23 0.855 19.504 -2.940 1.00 0.00 C ATOM 355 NH1 ARG A 23 1.337 20.401 -3.790 1.00 0.00 N ATOM 356 NH2 ARG A 23 1.066 19.648 -1.638 1.00 0.00 N ATOM 0 H ARG A 23 -0.802 17.011 -8.865 1.00 0.00 H new ATOM 0 HA ARG A 23 0.670 15.788 -6.805 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.191 17.725 -6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.264 16.403 -6.567 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.808 16.957 -4.432 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.306 16.089 -4.673 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.823 18.175 -5.356 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.682 19.061 -5.210 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.194 17.791 -2.710 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.177 20.292 -4.791 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.868 21.200 -3.442 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.697 18.959 -0.982 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.597 20.448 -1.293 1.00 0.00 H new ATOM 370 N ALA A 24 -2.023 14.180 -7.845 1.00 0.00 N ATOM 371 CA ALA A 24 -2.707 12.892 -7.839 1.00 0.00 C ATOM 372 C ALA A 24 -1.817 11.792 -8.412 1.00 0.00 C ATOM 373 O ALA A 24 -1.759 10.684 -7.878 1.00 0.00 O ATOM 374 CB ALA A 24 -4.005 12.977 -8.628 1.00 0.00 C ATOM 0 H ALA A 24 -2.460 14.887 -8.436 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.936 12.640 -6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.503 12.008 -8.614 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.656 13.726 -8.178 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.787 13.258 -9.658 1.00 0.00 H new ATOM 380 N LEU A 25 -1.129 12.117 -9.507 1.00 0.00 N ATOM 381 CA LEU A 25 -0.234 11.175 -10.177 1.00 0.00 C ATOM 382 C LEU A 25 0.906 10.737 -9.261 1.00 0.00 C ATOM 383 O LEU A 25 1.185 9.544 -9.146 1.00 0.00 O ATOM 384 CB LEU A 25 0.322 11.804 -11.460 1.00 0.00 C ATOM 385 CG LEU A 25 1.318 10.945 -12.242 1.00 0.00 C ATOM 386 CD1 LEU A 25 0.673 9.643 -12.692 1.00 0.00 C ATOM 387 CD2 LEU A 25 1.855 11.715 -13.439 1.00 0.00 C ATOM 0 H LEU A 25 -1.176 13.034 -9.951 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.810 10.286 -10.434 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.514 12.046 -12.116 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.807 12.745 -11.201 1.00 0.00 H new ATOM 0 HG LEU A 25 2.151 10.701 -11.583 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.400 9.049 -13.246 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.336 9.083 -11.819 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.180 9.862 -13.334 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.562 11.091 -13.985 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.029 11.988 -14.096 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.359 12.618 -13.094 1.00 0.00 H new ATOM 399 N LYS A 26 1.558 11.696 -8.605 1.00 0.00 N ATOM 400 CA LYS A 26 2.658 11.376 -7.698 1.00 0.00 C ATOM 401 C LYS A 26 2.169 10.544 -6.516 1.00 0.00 C ATOM 402 O LYS A 26 2.835 9.600 -6.093 1.00 0.00 O ATOM 403 CB LYS A 26 3.337 12.650 -7.189 1.00 0.00 C ATOM 404 CG LYS A 26 4.139 13.385 -8.252 1.00 0.00 C ATOM 405 CD LYS A 26 4.801 14.632 -7.684 1.00 0.00 C ATOM 406 CE LYS A 26 5.607 15.368 -8.742 1.00 0.00 C ATOM 407 NZ LYS A 26 6.730 14.541 -9.262 1.00 0.00 N ATOM 0 H LYS A 26 1.346 12.691 -8.683 1.00 0.00 H new ATOM 0 HA LYS A 26 3.386 10.791 -8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.576 13.322 -6.792 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.998 12.392 -6.362 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.901 12.720 -8.660 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.483 13.663 -9.077 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.038 15.297 -7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.454 14.354 -6.857 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.952 15.649 -9.566 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.002 16.292 -8.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.371 15.138 -9.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.253 14.125 -8.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.352 13.780 -9.862 1.00 0.00 H new ATOM 421 N THR A 27 0.998 10.901 -5.992 1.00 0.00 N ATOM 422 CA THR A 27 0.407 10.198 -4.860 1.00 0.00 C ATOM 423 C THR A 27 0.021 8.762 -5.229 1.00 0.00 C ATOM 424 O THR A 27 0.319 7.825 -4.490 1.00 0.00 O ATOM 425 CB THR A 27 -0.834 10.962 -4.356 1.00 0.00 C ATOM 426 OG1 THR A 27 -0.459 12.291 -3.974 1.00 0.00 O ATOM 427 CG2 THR A 27 -1.469 10.268 -3.167 1.00 0.00 C ATOM 0 H THR A 27 0.438 11.680 -6.338 1.00 0.00 H new ATOM 0 HA THR A 27 1.154 10.152 -4.068 1.00 0.00 H new ATOM 0 HB THR A 27 -1.560 10.991 -5.168 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.412 12.859 -4.771 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.341 10.834 -2.838 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.776 9.262 -3.454 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.747 10.208 -2.353 1.00 0.00 H new ATOM 435 N LEU A 28 -0.617 8.595 -6.384 1.00 0.00 N ATOM 436 CA LEU A 28 -1.053 7.273 -6.833 1.00 0.00 C ATOM 437 C LEU A 28 0.121 6.377 -7.220 1.00 0.00 C ATOM 438 O LEU A 28 0.216 5.240 -6.757 1.00 0.00 O ATOM 439 CB LEU A 28 -1.997 7.402 -8.037 1.00 0.00 C ATOM 440 CG LEU A 28 -3.466 7.038 -7.785 1.00 0.00 C ATOM 441 CD1 LEU A 28 -3.582 5.672 -7.125 1.00 0.00 C ATOM 442 CD2 LEU A 28 -4.148 8.105 -6.944 1.00 0.00 C ATOM 0 H LEU A 28 -0.844 9.355 -7.025 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.573 6.812 -5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.955 8.430 -8.397 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.619 6.768 -8.839 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.973 6.990 -8.749 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.633 5.437 -6.957 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.140 4.916 -7.774 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.056 5.683 -6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.189 7.827 -6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.638 8.193 -5.985 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.107 9.061 -7.466 1.00 0.00 H new ATOM 454 N ALA A 29 1.014 6.896 -8.062 1.00 0.00 N ATOM 455 CA ALA A 29 2.157 6.121 -8.540 1.00 0.00 C ATOM 456 C ALA A 29 3.096 5.685 -7.421 1.00 0.00 C ATOM 457 O ALA A 29 3.501 4.532 -7.380 1.00 0.00 O ATOM 458 CB ALA A 29 2.926 6.914 -9.586 1.00 0.00 C ATOM 0 H ALA A 29 0.968 7.848 -8.426 1.00 0.00 H new ATOM 0 HA ALA A 29 1.754 5.211 -8.984 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.776 6.327 -9.935 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.270 7.139 -10.427 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.284 7.845 -9.146 1.00 0.00 H new ATOM 464 N ASN A 30 3.419 6.586 -6.498 1.00 0.00 N ATOM 465 CA ASN A 30 4.334 6.246 -5.407 1.00 0.00 C ATOM 466 C ASN A 30 3.732 5.186 -4.491 1.00 0.00 C ATOM 467 O ASN A 30 4.418 4.252 -4.081 1.00 0.00 O ATOM 468 CB ASN A 30 4.716 7.493 -4.603 1.00 0.00 C ATOM 469 CG ASN A 30 5.885 7.246 -3.668 1.00 0.00 C ATOM 470 OD1 ASN A 30 6.844 6.565 -4.023 1.00 0.00 O ATOM 471 ND2 ASN A 30 5.809 7.798 -2.464 1.00 0.00 N ATOM 0 H ASN A 30 3.068 7.544 -6.480 1.00 0.00 H new ATOM 0 HA ASN A 30 5.239 5.834 -5.854 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.969 8.301 -5.290 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.855 7.825 -4.023 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.565 7.664 -1.793 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.994 8.357 -2.210 1.00 0.00 H new ATOM 478 N ILE A 31 2.454 5.332 -4.171 1.00 0.00 N ATOM 479 CA ILE A 31 1.780 4.366 -3.322 1.00 0.00 C ATOM 480 C ILE A 31 1.711 2.994 -3.996 1.00 0.00 C ATOM 481 O ILE A 31 1.983 1.971 -3.376 1.00 0.00 O ATOM 482 CB ILE A 31 0.388 4.868 -2.899 1.00 0.00 C ATOM 483 CG1 ILE A 31 0.567 6.005 -1.895 1.00 0.00 C ATOM 484 CG2 ILE A 31 -0.470 3.752 -2.323 1.00 0.00 C ATOM 485 CD1 ILE A 31 -0.706 6.735 -1.570 1.00 0.00 C ATOM 0 H ILE A 31 1.868 6.106 -4.485 1.00 0.00 H new ATOM 0 HA ILE A 31 2.369 4.251 -2.412 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.141 5.233 -3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.988 5.601 -0.974 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.291 6.716 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.443 4.152 -2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.603 2.972 -3.072 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.021 3.332 -1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.498 7.527 -0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.118 7.170 -2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.426 6.038 -1.143 1.00 0.00 H new ATOM 497 N LEU A 32 1.361 2.981 -5.274 1.00 0.00 N ATOM 498 CA LEU A 32 1.267 1.734 -6.029 1.00 0.00 C ATOM 499 C LEU A 32 2.636 1.107 -6.328 1.00 0.00 C ATOM 500 O LEU A 32 2.730 -0.102 -6.518 1.00 0.00 O ATOM 501 CB LEU A 32 0.467 1.948 -7.312 1.00 0.00 C ATOM 502 CG LEU A 32 -1.036 2.159 -7.091 1.00 0.00 C ATOM 503 CD1 LEU A 32 -1.709 2.622 -8.373 1.00 0.00 C ATOM 504 CD2 LEU A 32 -1.671 0.873 -6.593 1.00 0.00 C ATOM 0 H LEU A 32 1.137 3.818 -5.812 1.00 0.00 H new ATOM 0 HA LEU A 32 0.740 1.020 -5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.870 2.814 -7.837 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.609 1.085 -7.963 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.172 2.935 -6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.774 2.765 -8.193 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.266 3.564 -8.697 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.570 1.869 -9.149 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.738 1.030 -6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.524 0.085 -7.331 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.207 0.579 -5.651 1.00 0.00 H new ATOM 516 N GLU A 33 3.694 1.918 -6.391 1.00 0.00 N ATOM 517 CA GLU A 33 5.039 1.393 -6.667 1.00 0.00 C ATOM 518 C GLU A 33 5.776 1.006 -5.387 1.00 0.00 C ATOM 519 O GLU A 33 6.903 0.521 -5.444 1.00 0.00 O ATOM 520 CB GLU A 33 5.887 2.404 -7.446 1.00 0.00 C ATOM 521 CG GLU A 33 5.311 2.785 -8.799 1.00 0.00 C ATOM 522 CD GLU A 33 6.234 3.688 -9.592 1.00 0.00 C ATOM 523 OE1 GLU A 33 7.373 3.266 -9.882 1.00 0.00 O ATOM 524 OE2 GLU A 33 5.816 4.817 -9.926 1.00 0.00 O ATOM 0 H GLU A 33 3.651 2.928 -6.257 1.00 0.00 H new ATOM 0 HA GLU A 33 4.897 0.499 -7.274 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.001 3.306 -6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.885 1.990 -7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.113 1.880 -9.373 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.354 3.287 -8.654 1.00 0.00 H new ATOM 531 N LYS A 34 5.159 1.236 -4.236 1.00 0.00 N ATOM 532 CA LYS A 34 5.792 0.892 -2.968 1.00 0.00 C ATOM 533 C LYS A 34 4.840 0.107 -2.067 1.00 0.00 C ATOM 534 O LYS A 34 5.101 -1.044 -1.723 1.00 0.00 O ATOM 535 CB LYS A 34 6.269 2.165 -2.256 1.00 0.00 C ATOM 536 CG LYS A 34 6.995 1.906 -0.943 1.00 0.00 C ATOM 537 CD LYS A 34 8.304 1.164 -1.163 1.00 0.00 C ATOM 538 CE LYS A 34 9.063 0.986 0.141 1.00 0.00 C ATOM 539 NZ LYS A 34 10.349 0.261 -0.057 1.00 0.00 N ATOM 0 H LYS A 34 4.232 1.654 -4.152 1.00 0.00 H new ATOM 0 HA LYS A 34 6.652 0.257 -3.180 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.932 2.715 -2.923 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.408 2.805 -2.063 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.193 2.854 -0.443 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.354 1.325 -0.281 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.102 0.188 -1.605 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.921 1.714 -1.874 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.262 1.963 0.581 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.443 0.437 0.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.835 0.161 0.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.159 -0.682 -0.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.952 0.797 -0.713 1.00 0.00 H new ATOM 553 N GLU A 35 3.734 0.744 -1.700 1.00 0.00 N ATOM 554 CA GLU A 35 2.732 0.139 -0.825 1.00 0.00 C ATOM 555 C GLU A 35 2.047 -1.073 -1.464 1.00 0.00 C ATOM 556 O GLU A 35 1.818 -2.082 -0.799 1.00 0.00 O ATOM 557 CB GLU A 35 1.682 1.192 -0.447 1.00 0.00 C ATOM 558 CG GLU A 35 2.207 2.269 0.494 1.00 0.00 C ATOM 559 CD GLU A 35 2.703 1.711 1.813 1.00 0.00 C ATOM 560 OE1 GLU A 35 1.959 0.933 2.447 1.00 0.00 O ATOM 561 OE2 GLU A 35 3.835 2.054 2.213 1.00 0.00 O ATOM 0 H GLU A 35 3.505 1.692 -1.999 1.00 0.00 H new ATOM 0 HA GLU A 35 3.248 -0.219 0.066 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.311 1.665 -1.356 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.833 0.694 0.022 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.019 2.807 0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.415 2.993 0.687 1.00 0.00 H new ATOM 568 N PHE A 36 1.723 -0.973 -2.751 1.00 0.00 N ATOM 569 CA PHE A 36 1.044 -2.066 -3.449 1.00 0.00 C ATOM 570 C PHE A 36 1.814 -2.530 -4.683 1.00 0.00 C ATOM 571 O PHE A 36 1.211 -2.985 -5.662 1.00 0.00 O ATOM 572 CB PHE A 36 -0.374 -1.644 -3.845 1.00 0.00 C ATOM 573 CG PHE A 36 -1.240 -1.300 -2.668 1.00 0.00 C ATOM 574 CD1 PHE A 36 -1.391 0.017 -2.265 1.00 0.00 C ATOM 575 CD2 PHE A 36 -1.893 -2.293 -1.957 1.00 0.00 C ATOM 576 CE1 PHE A 36 -2.176 0.336 -1.175 1.00 0.00 C ATOM 577 CE2 PHE A 36 -2.681 -1.979 -0.867 1.00 0.00 C ATOM 578 CZ PHE A 36 -2.821 -0.663 -0.475 1.00 0.00 C ATOM 0 H PHE A 36 1.917 -0.155 -3.329 1.00 0.00 H new ATOM 0 HA PHE A 36 0.994 -2.907 -2.758 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.317 -0.782 -4.510 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.842 -2.451 -4.409 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.889 0.803 -2.810 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.785 -3.324 -2.258 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.285 1.366 -0.871 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.187 -2.762 -0.322 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.435 -0.415 0.379 1.00 0.00 H new ATOM 588 N LYS A 37 3.139 -2.409 -4.644 1.00 0.00 N ATOM 589 CA LYS A 37 3.971 -2.811 -5.777 1.00 0.00 C ATOM 590 C LYS A 37 3.814 -4.297 -6.080 1.00 0.00 C ATOM 591 O LYS A 37 3.958 -5.144 -5.197 1.00 0.00 O ATOM 592 CB LYS A 37 5.443 -2.489 -5.509 1.00 0.00 C ATOM 593 CG LYS A 37 6.364 -2.825 -6.677 1.00 0.00 C ATOM 594 CD LYS A 37 7.767 -2.277 -6.468 1.00 0.00 C ATOM 595 CE LYS A 37 8.470 -2.962 -5.308 1.00 0.00 C ATOM 596 NZ LYS A 37 8.712 -4.407 -5.577 1.00 0.00 N ATOM 0 H LYS A 37 3.657 -2.039 -3.847 1.00 0.00 H new ATOM 0 HA LYS A 37 3.636 -2.245 -6.646 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.538 -1.428 -5.276 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.772 -3.040 -4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.412 -3.907 -6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.948 -2.415 -7.597 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.350 -2.413 -7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.715 -1.205 -6.280 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.421 -2.465 -5.116 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.867 -2.857 -4.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.378 -4.784 -4.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.813 -4.927 -5.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.114 -4.520 -6.529 1.00 0.00 H new ATOM 610 N GLY A 38 3.515 -4.602 -7.337 1.00 0.00 N ATOM 611 CA GLY A 38 3.345 -5.981 -7.749 1.00 0.00 C ATOM 612 C GLY A 38 1.915 -6.465 -7.618 1.00 0.00 C ATOM 613 O GLY A 38 1.587 -7.562 -8.066 1.00 0.00 O ATOM 0 H GLY A 38 3.387 -3.915 -8.080 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.665 -6.087 -8.785 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.995 -6.617 -7.148 1.00 0.00 H new ATOM 617 N VAL A 39 1.054 -5.653 -7.005 1.00 0.00 N ATOM 618 CA VAL A 39 -0.341 -6.041 -6.831 1.00 0.00 C ATOM 619 C VAL A 39 -1.256 -5.262 -7.778 1.00 0.00 C ATOM 620 O VAL A 39 -2.175 -5.835 -8.368 1.00 0.00 O ATOM 621 CB VAL A 39 -0.817 -5.862 -5.370 1.00 0.00 C ATOM 622 CG1 VAL A 39 -2.235 -6.387 -5.190 1.00 0.00 C ATOM 623 CG2 VAL A 39 0.137 -6.554 -4.405 1.00 0.00 C ATOM 0 H VAL A 39 1.295 -4.737 -6.627 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.401 -7.101 -7.076 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.820 -4.795 -5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.545 -6.249 -4.154 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.911 -5.841 -5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.265 -7.448 -5.440 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.216 -6.416 -3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.178 -7.619 -4.634 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.133 -6.123 -4.506 1.00 0.00 H new ATOM 633 N TYR A 40 -1.015 -3.961 -7.935 1.00 0.00 N ATOM 634 CA TYR A 40 -1.854 -3.165 -8.827 1.00 0.00 C ATOM 635 C TYR A 40 -1.072 -2.604 -10.007 1.00 0.00 C ATOM 636 O TYR A 40 0.102 -2.250 -9.884 1.00 0.00 O ATOM 637 CB TYR A 40 -2.507 -1.994 -8.096 1.00 0.00 C ATOM 638 CG TYR A 40 -3.752 -2.304 -7.308 1.00 0.00 C ATOM 639 CD1 TYR A 40 -3.687 -2.846 -6.033 1.00 0.00 C ATOM 640 CD2 TYR A 40 -4.998 -2.001 -7.832 1.00 0.00 C ATOM 641 CE1 TYR A 40 -4.837 -3.078 -5.305 1.00 0.00 C ATOM 642 CE2 TYR A 40 -6.148 -2.235 -7.115 1.00 0.00 C ATOM 643 CZ TYR A 40 -6.064 -2.770 -5.854 1.00 0.00 C ATOM 644 OH TYR A 40 -7.208 -2.990 -5.135 1.00 0.00 O ATOM 0 H TYR A 40 -0.267 -3.447 -7.470 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.620 -3.850 -9.192 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.772 -1.563 -7.416 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.750 -1.226 -8.831 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.726 -3.089 -5.605 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.068 -1.573 -8.821 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.776 -3.498 -4.312 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -7.112 -1.999 -7.542 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.957 -3.140 -5.749 1.00 0.00 H new ATOM 654 N ALA A 41 -1.741 -2.528 -11.149 1.00 0.00 N ATOM 655 CA ALA A 41 -1.159 -1.957 -12.352 1.00 0.00 C ATOM 656 C ALA A 41 -1.791 -0.586 -12.595 1.00 0.00 C ATOM 657 O ALA A 41 -3.018 -0.471 -12.664 1.00 0.00 O ATOM 658 CB ALA A 41 -1.381 -2.880 -13.541 1.00 0.00 C ATOM 0 H ALA A 41 -2.699 -2.859 -11.266 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.083 -1.842 -12.226 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.939 -2.437 -14.433 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.913 -3.845 -13.345 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.450 -3.021 -13.698 1.00 0.00 H new ATOM 664 N LEU A 42 -0.967 0.450 -12.716 1.00 0.00 N ATOM 665 CA LEU A 42 -1.485 1.803 -12.911 1.00 0.00 C ATOM 666 C LEU A 42 -1.514 2.201 -14.385 1.00 0.00 C ATOM 667 O LEU A 42 -0.516 2.091 -15.098 1.00 0.00 O ATOM 668 CB LEU A 42 -0.658 2.813 -12.105 1.00 0.00 C ATOM 669 CG LEU A 42 -1.107 4.274 -12.219 1.00 0.00 C ATOM 670 CD1 LEU A 42 -2.528 4.447 -11.699 1.00 0.00 C ATOM 671 CD2 LEU A 42 -0.151 5.184 -11.461 1.00 0.00 C ATOM 0 H LEU A 42 0.050 0.383 -12.683 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.514 1.811 -12.550 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.686 2.523 -11.055 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.381 2.744 -12.427 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.093 4.553 -13.273 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.824 5.492 -11.790 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.207 3.825 -12.282 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.571 4.148 -10.652 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.484 6.218 -11.552 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.135 4.899 -10.409 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.851 5.088 -11.879 1.00 0.00 H new ATOM 683 N LYS A 43 -2.679 2.669 -14.820 1.00 0.00 N ATOM 684 CA LYS A 43 -2.893 3.107 -16.187 1.00 0.00 C ATOM 685 C LYS A 43 -3.453 4.522 -16.177 1.00 0.00 C ATOM 686 O LYS A 43 -4.574 4.757 -15.747 1.00 0.00 O ATOM 687 CB LYS A 43 -3.858 2.169 -16.912 1.00 0.00 C ATOM 688 CG LYS A 43 -3.212 1.337 -18.005 1.00 0.00 C ATOM 689 CD LYS A 43 -2.712 0.003 -17.480 1.00 0.00 C ATOM 690 CE LYS A 43 -2.458 -0.972 -18.616 1.00 0.00 C ATOM 691 NZ LYS A 43 -1.263 -0.592 -19.419 1.00 0.00 N ATOM 0 H LYS A 43 -3.504 2.754 -14.227 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.941 3.091 -16.717 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.314 1.500 -16.182 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.663 2.760 -17.348 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.933 1.165 -18.805 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.380 1.891 -18.439 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.793 0.153 -16.913 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.445 -0.418 -16.792 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.319 -1.974 -18.210 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.334 -1.010 -19.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.125 -1.283 -20.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.406 0.353 -19.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.423 -0.581 -18.807 1.00 0.00 H new ATOM 705 N VAL A 44 -2.659 5.461 -16.651 1.00 0.00 N ATOM 706 CA VAL A 44 -3.053 6.862 -16.692 1.00 0.00 C ATOM 707 C VAL A 44 -3.532 7.254 -18.082 1.00 0.00 C ATOM 708 O VAL A 44 -2.861 7.015 -19.087 1.00 0.00 O ATOM 709 CB VAL A 44 -1.884 7.759 -16.242 1.00 0.00 C ATOM 710 CG1 VAL A 44 -2.231 9.236 -16.372 1.00 0.00 C ATOM 711 CG2 VAL A 44 -1.489 7.430 -14.810 1.00 0.00 C ATOM 0 H VAL A 44 -1.725 5.279 -17.018 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.884 7.004 -16.002 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.037 7.559 -16.899 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.384 9.839 -16.046 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.461 9.466 -17.413 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.098 9.462 -15.751 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.662 8.071 -14.504 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.340 7.597 -14.150 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.181 6.386 -14.748 1.00 0.00 H new ATOM 721 N ILE A 45 -4.714 7.860 -18.114 1.00 0.00 N ATOM 722 CA ILE A 45 -5.354 8.275 -19.345 1.00 0.00 C ATOM 723 C ILE A 45 -5.381 9.799 -19.424 1.00 0.00 C ATOM 724 O ILE A 45 -6.000 10.455 -18.583 1.00 0.00 O ATOM 725 CB ILE A 45 -6.808 7.748 -19.367 1.00 0.00 C ATOM 726 CG1 ILE A 45 -6.844 6.240 -19.082 1.00 0.00 C ATOM 727 CG2 ILE A 45 -7.510 8.063 -20.686 1.00 0.00 C ATOM 728 CD1 ILE A 45 -6.075 5.396 -20.074 1.00 0.00 C ATOM 0 H ILE A 45 -5.255 8.076 -17.276 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.797 7.874 -20.192 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.352 8.266 -18.577 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.443 6.062 -18.084 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.883 5.910 -19.071 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.528 7.675 -20.658 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.537 9.142 -20.835 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.967 7.597 -21.508 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.154 4.345 -19.796 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.489 5.540 -21.072 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.027 5.694 -20.070 1.00 0.00 H new ATOM 740 N ASP A 46 -4.703 10.370 -20.415 1.00 0.00 N ATOM 741 CA ASP A 46 -4.693 11.818 -20.569 1.00 0.00 C ATOM 742 C ASP A 46 -5.907 12.245 -21.384 1.00 0.00 C ATOM 743 O ASP A 46 -5.938 12.074 -22.604 1.00 0.00 O ATOM 744 CB ASP A 46 -3.406 12.283 -21.253 1.00 0.00 C ATOM 745 CG ASP A 46 -3.204 13.783 -21.134 1.00 0.00 C ATOM 746 OD1 ASP A 46 -4.049 14.544 -21.651 1.00 0.00 O ATOM 747 OD2 ASP A 46 -2.203 14.198 -20.516 1.00 0.00 O ATOM 0 H ASP A 46 -4.161 9.860 -21.113 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.735 12.280 -19.582 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.554 11.767 -20.810 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.435 12.004 -22.306 1.00 0.00 H new ATOM 752 N VAL A 47 -6.894 12.809 -20.704 1.00 0.00 N ATOM 753 CA VAL A 47 -8.141 13.227 -21.348 1.00 0.00 C ATOM 754 C VAL A 47 -7.981 14.415 -22.313 1.00 0.00 C ATOM 755 O VAL A 47 -8.849 14.642 -23.154 1.00 0.00 O ATOM 756 CB VAL A 47 -9.222 13.558 -20.296 1.00 0.00 C ATOM 757 CG1 VAL A 47 -9.450 12.367 -19.370 1.00 0.00 C ATOM 758 CG2 VAL A 47 -8.850 14.798 -19.495 1.00 0.00 C ATOM 0 H VAL A 47 -6.860 12.991 -19.701 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.452 12.373 -21.950 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.152 13.769 -20.824 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.215 12.619 -18.635 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.778 11.508 -19.956 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.520 12.122 -18.856 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.630 15.006 -18.763 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.905 14.628 -18.980 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.749 15.649 -20.168 1.00 0.00 H new ATOM 768 N LEU A 48 -6.894 15.179 -22.199 1.00 0.00 N ATOM 769 CA LEU A 48 -6.689 16.330 -23.083 1.00 0.00 C ATOM 770 C LEU A 48 -5.915 15.958 -24.347 1.00 0.00 C ATOM 771 O LEU A 48 -6.215 16.466 -25.427 1.00 0.00 O ATOM 772 CB LEU A 48 -5.986 17.477 -22.354 1.00 0.00 C ATOM 773 CG LEU A 48 -6.764 18.086 -21.184 1.00 0.00 C ATOM 774 CD1 LEU A 48 -5.955 19.193 -20.527 1.00 0.00 C ATOM 775 CD2 LEU A 48 -8.110 18.618 -21.655 1.00 0.00 C ATOM 0 H LEU A 48 -6.152 15.027 -21.516 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.681 16.665 -23.386 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.028 17.115 -21.982 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.771 18.266 -23.075 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.943 17.304 -20.446 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.522 19.615 -19.698 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.016 18.785 -20.154 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.746 19.974 -21.258 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.648 19.047 -20.809 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.953 19.386 -22.412 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.695 17.803 -22.081 1.00 0.00 H new ATOM 787 N LYS A 49 -4.916 15.084 -24.220 1.00 0.00 N ATOM 788 CA LYS A 49 -4.133 14.662 -25.384 1.00 0.00 C ATOM 789 C LYS A 49 -4.974 13.774 -26.289 1.00 0.00 C ATOM 790 O LYS A 49 -4.870 13.840 -27.513 1.00 0.00 O ATOM 791 CB LYS A 49 -2.849 13.935 -24.980 1.00 0.00 C ATOM 792 CG LYS A 49 -1.805 14.845 -24.349 1.00 0.00 C ATOM 793 CD LYS A 49 -0.455 14.154 -24.230 1.00 0.00 C ATOM 794 CE LYS A 49 -0.480 13.022 -23.216 1.00 0.00 C ATOM 795 NZ LYS A 49 0.858 12.388 -23.056 1.00 0.00 N ATOM 0 H LYS A 49 -4.632 14.659 -23.337 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.843 15.562 -25.926 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.098 13.140 -24.277 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.419 13.459 -25.861 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.700 15.749 -24.949 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.143 15.156 -23.361 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.162 13.762 -25.204 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.301 14.884 -23.940 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.817 13.405 -22.253 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.203 12.269 -23.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.797 11.621 -22.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.169 11.999 -23.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.543 13.100 -22.731 1.00 0.00 H new ATOM 809 N ASN A 50 -5.803 12.940 -25.676 1.00 0.00 N ATOM 810 CA ASN A 50 -6.685 12.057 -26.427 1.00 0.00 C ATOM 811 C ASN A 50 -8.092 12.140 -25.864 1.00 0.00 C ATOM 812 O ASN A 50 -8.535 11.253 -25.127 1.00 0.00 O ATOM 813 CB ASN A 50 -6.197 10.612 -26.368 1.00 0.00 C ATOM 814 CG ASN A 50 -6.762 9.761 -27.492 1.00 0.00 C ATOM 815 OD1 ASN A 50 -7.973 9.713 -27.705 1.00 0.00 O ATOM 816 ND2 ASN A 50 -5.884 9.084 -28.219 1.00 0.00 N ATOM 0 H ASN A 50 -5.883 12.856 -24.663 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.683 12.379 -27.468 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.108 10.597 -26.418 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.478 10.176 -25.410 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.204 8.496 -28.988 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -4.888 9.152 -28.009 1.00 0.00 H new ATOM 823 N PRO A 51 -8.809 13.225 -26.188 1.00 0.00 N ATOM 824 CA PRO A 51 -10.177 13.430 -25.722 1.00 0.00 C ATOM 825 C PRO A 51 -11.140 12.368 -26.245 1.00 0.00 C ATOM 826 O PRO A 51 -12.217 12.170 -25.686 1.00 0.00 O ATOM 827 CB PRO A 51 -10.542 14.819 -26.253 1.00 0.00 C ATOM 828 CG PRO A 51 -9.586 15.068 -27.371 1.00 0.00 C ATOM 829 CD PRO A 51 -8.328 14.349 -27.008 1.00 0.00 C ATOM 0 HA PRO A 51 -10.250 13.354 -24.637 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.574 14.849 -26.602 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.446 15.577 -25.475 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.987 14.700 -28.316 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.403 16.135 -27.497 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.793 14.003 -27.892 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.644 14.990 -26.452 1.00 0.00 H new ATOM 837 N GLN A 52 -10.750 11.695 -27.327 1.00 0.00 N ATOM 838 CA GLN A 52 -11.563 10.631 -27.902 1.00 0.00 C ATOM 839 C GLN A 52 -11.708 9.504 -26.900 1.00 0.00 C ATOM 840 O GLN A 52 -12.794 8.961 -26.724 1.00 0.00 O ATOM 841 CB GLN A 52 -10.925 10.099 -29.190 1.00 0.00 C ATOM 842 CG GLN A 52 -10.959 11.084 -30.351 1.00 0.00 C ATOM 843 CD GLN A 52 -9.700 11.928 -30.452 1.00 0.00 C ATOM 844 OE1 GLN A 52 -8.999 12.147 -29.464 1.00 0.00 O ATOM 845 NE2 GLN A 52 -9.406 12.410 -31.652 1.00 0.00 N ATOM 0 H GLN A 52 -9.875 11.870 -27.821 1.00 0.00 H new ATOM 0 HA GLN A 52 -12.546 11.035 -28.143 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.889 9.830 -28.986 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -11.439 9.185 -29.487 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -11.097 10.535 -31.282 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -11.822 11.741 -30.238 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.013 12.206 -32.446 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.573 12.985 -31.781 1.00 0.00 H new ATOM 854 N LEU A 53 -10.612 9.179 -26.221 1.00 0.00 N ATOM 855 CA LEU A 53 -10.631 8.122 -25.222 1.00 0.00 C ATOM 856 C LEU A 53 -11.420 8.580 -24.006 1.00 0.00 C ATOM 857 O LEU A 53 -12.125 7.792 -23.374 1.00 0.00 O ATOM 858 CB LEU A 53 -9.216 7.702 -24.835 1.00 0.00 C ATOM 859 CG LEU A 53 -8.440 7.010 -25.953 1.00 0.00 C ATOM 860 CD1 LEU A 53 -6.994 6.782 -25.542 1.00 0.00 C ATOM 861 CD2 LEU A 53 -9.104 5.697 -26.335 1.00 0.00 C ATOM 0 H LEU A 53 -9.706 9.631 -26.345 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.121 7.247 -25.648 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.662 8.585 -24.516 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.270 7.032 -23.977 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.447 7.662 -26.827 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.459 6.288 -26.353 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.522 7.740 -25.327 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.964 6.154 -24.652 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.535 5.220 -27.133 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.134 5.038 -25.467 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.120 5.890 -26.679 1.00 0.00 H new ATOM 873 N ALA A 54 -11.286 9.869 -23.680 1.00 0.00 N ATOM 874 CA ALA A 54 -12.002 10.453 -22.556 1.00 0.00 C ATOM 875 C ALA A 54 -13.499 10.394 -22.812 1.00 0.00 C ATOM 876 O ALA A 54 -14.276 10.099 -21.914 1.00 0.00 O ATOM 877 CB ALA A 54 -11.567 11.892 -22.336 1.00 0.00 C ATOM 0 H ALA A 54 -10.686 10.523 -24.183 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.769 9.881 -21.658 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.113 12.312 -21.491 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.498 11.921 -22.127 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.778 12.477 -23.231 1.00 0.00 H new ATOM 883 N GLU A 55 -13.885 10.696 -24.051 1.00 0.00 N ATOM 884 CA GLU A 55 -15.284 10.654 -24.461 1.00 0.00 C ATOM 885 C GLU A 55 -15.792 9.220 -24.461 1.00 0.00 C ATOM 886 O GLU A 55 -16.945 8.964 -24.116 1.00 0.00 O ATOM 887 CB GLU A 55 -15.481 11.274 -25.844 1.00 0.00 C ATOM 888 CG GLU A 55 -16.941 11.323 -26.275 1.00 0.00 C ATOM 889 CD GLU A 55 -17.136 11.951 -27.642 1.00 0.00 C ATOM 890 OE1 GLU A 55 -16.126 12.348 -28.263 1.00 0.00 O ATOM 891 OE2 GLU A 55 -18.296 12.044 -28.091 1.00 0.00 O ATOM 0 H GLU A 55 -13.241 10.974 -24.792 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.856 11.240 -23.742 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.075 12.285 -25.843 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.911 10.702 -26.576 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -17.345 10.311 -26.286 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.513 11.887 -25.538 1.00 0.00 H new ATOM 898 N GLU A 56 -14.929 8.287 -24.866 1.00 0.00 N ATOM 899 CA GLU A 56 -15.299 6.877 -24.907 1.00 0.00 C ATOM 900 C GLU A 56 -15.678 6.403 -23.506 1.00 0.00 C ATOM 901 O GLU A 56 -16.627 5.638 -23.339 1.00 0.00 O ATOM 902 CB GLU A 56 -14.144 6.025 -25.453 1.00 0.00 C ATOM 903 CG GLU A 56 -13.815 6.283 -26.921 1.00 0.00 C ATOM 904 CD GLU A 56 -12.772 5.325 -27.463 1.00 0.00 C ATOM 905 OE1 GLU A 56 -12.276 4.483 -26.687 1.00 0.00 O ATOM 906 OE2 GLU A 56 -12.450 5.421 -28.666 1.00 0.00 O ATOM 0 H GLU A 56 -13.975 8.483 -25.168 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.154 6.762 -25.573 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.253 6.214 -24.854 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.394 4.971 -25.328 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.725 6.196 -27.514 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.457 7.306 -27.035 1.00 0.00 H new ATOM 913 N ASP A 57 -14.933 6.860 -22.499 1.00 0.00 N ATOM 914 CA ASP A 57 -15.236 6.501 -21.116 1.00 0.00 C ATOM 915 C ASP A 57 -16.047 7.607 -20.434 1.00 0.00 C ATOM 916 O ASP A 57 -16.283 7.551 -19.227 1.00 0.00 O ATOM 917 CB ASP A 57 -13.958 6.182 -20.322 1.00 0.00 C ATOM 918 CG ASP A 57 -13.322 4.865 -20.724 1.00 0.00 C ATOM 919 OD1 ASP A 57 -13.989 4.064 -21.411 1.00 0.00 O ATOM 920 OD2 ASP A 57 -12.151 4.638 -20.347 1.00 0.00 O ATOM 0 H ASP A 57 -14.125 7.472 -22.614 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.842 5.595 -21.133 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.237 6.986 -20.467 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.195 6.155 -19.258 1.00 0.00 H new ATOM 925 N LYS A 58 -16.470 8.597 -21.232 1.00 0.00 N ATOM 926 CA LYS A 58 -17.282 9.729 -20.760 1.00 0.00 C ATOM 927 C LYS A 58 -16.711 10.386 -19.505 1.00 0.00 C ATOM 928 O LYS A 58 -17.402 10.556 -18.500 1.00 0.00 O ATOM 929 CB LYS A 58 -18.733 9.295 -20.544 1.00 0.00 C ATOM 930 CG LYS A 58 -19.453 8.952 -21.843 1.00 0.00 C ATOM 931 CD LYS A 58 -19.769 10.200 -22.654 1.00 0.00 C ATOM 932 CE LYS A 58 -20.563 9.862 -23.905 1.00 0.00 C ATOM 933 NZ LYS A 58 -19.783 9.002 -24.838 1.00 0.00 N ATOM 0 H LYS A 58 -16.258 8.636 -22.229 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.255 10.488 -21.542 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.752 8.427 -19.885 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -19.273 10.094 -20.036 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -18.834 8.279 -22.436 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -20.377 8.420 -21.618 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.335 10.901 -22.040 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -18.841 10.699 -22.934 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -21.484 9.352 -23.624 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -20.851 10.782 -24.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.857 9.381 -25.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.785 8.990 -24.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -20.161 8.034 -24.816 1.00 0.00 H new ATOM 947 N ILE A 59 -15.443 10.765 -19.583 1.00 0.00 N ATOM 948 CA ILE A 59 -14.765 11.408 -18.469 1.00 0.00 C ATOM 949 C ILE A 59 -14.983 12.918 -18.507 1.00 0.00 C ATOM 950 O ILE A 59 -14.442 13.615 -19.368 1.00 0.00 O ATOM 951 CB ILE A 59 -13.253 11.102 -18.508 1.00 0.00 C ATOM 952 CG1 ILE A 59 -13.021 9.590 -18.530 1.00 0.00 C ATOM 953 CG2 ILE A 59 -12.539 11.736 -17.322 1.00 0.00 C ATOM 954 CD1 ILE A 59 -13.582 8.875 -17.321 1.00 0.00 C ATOM 0 H ILE A 59 -14.862 10.637 -20.411 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.185 11.013 -17.544 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.839 11.533 -19.419 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -13.473 9.174 -19.430 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -11.950 9.396 -18.593 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -11.475 11.506 -17.372 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.678 12.817 -17.349 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -12.952 11.340 -16.394 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -13.381 7.807 -17.404 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -13.112 9.264 -16.418 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -14.658 9.039 -17.269 1.00 0.00 H new ATOM 966 N LEU A 60 -15.786 13.417 -17.571 1.00 0.00 N ATOM 967 CA LEU A 60 -16.082 14.845 -17.496 1.00 0.00 C ATOM 968 C LEU A 60 -15.417 15.493 -16.284 1.00 0.00 C ATOM 969 O LEU A 60 -15.620 16.677 -16.018 1.00 0.00 O ATOM 970 CB LEU A 60 -17.597 15.069 -17.441 1.00 0.00 C ATOM 971 CG LEU A 60 -18.383 14.528 -18.640 1.00 0.00 C ATOM 972 CD1 LEU A 60 -19.876 14.736 -18.435 1.00 0.00 C ATOM 973 CD2 LEU A 60 -17.924 15.197 -19.929 1.00 0.00 C ATOM 0 H LEU A 60 -16.243 12.854 -16.854 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.678 15.314 -18.393 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -17.984 14.604 -16.534 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.787 16.139 -17.356 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.191 13.458 -18.722 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -20.419 14.346 -19.296 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -20.196 14.211 -17.535 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -20.084 15.801 -18.327 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -18.494 14.799 -20.768 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -18.085 16.273 -19.858 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.864 14.999 -20.084 1.00 0.00 H new ATOM 985 N ALA A 61 -14.624 14.719 -15.550 1.00 0.00 N ATOM 986 CA ALA A 61 -13.949 15.233 -14.363 1.00 0.00 C ATOM 987 C ALA A 61 -12.530 14.689 -14.248 1.00 0.00 C ATOM 988 O ALA A 61 -12.247 13.570 -14.672 1.00 0.00 O ATOM 989 CB ALA A 61 -14.745 14.886 -13.110 1.00 0.00 C ATOM 0 H ALA A 61 -14.433 13.738 -15.755 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.887 16.317 -14.460 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -14.230 15.276 -12.232 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.738 15.331 -13.175 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.837 13.803 -13.026 1.00 0.00 H new ATOM 995 N THR A 62 -11.645 15.498 -13.674 1.00 0.00 N ATOM 996 CA THR A 62 -10.252 15.127 -13.473 1.00 0.00 C ATOM 997 C THR A 62 -9.710 15.793 -12.211 1.00 0.00 C ATOM 998 O THR A 62 -10.044 16.944 -11.925 1.00 0.00 O ATOM 999 CB THR A 62 -9.358 15.558 -14.662 1.00 0.00 C ATOM 1000 OG1 THR A 62 -9.592 16.936 -14.975 1.00 0.00 O ATOM 1001 CG2 THR A 62 -9.600 14.704 -15.899 1.00 0.00 C ATOM 0 H THR A 62 -11.876 16.432 -13.335 1.00 0.00 H new ATOM 0 HA THR A 62 -10.224 14.041 -13.384 1.00 0.00 H new ATOM 0 HB THR A 62 -8.321 15.416 -14.358 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.770 17.028 -15.934 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.952 15.042 -16.707 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.380 13.661 -15.670 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.642 14.796 -16.207 1.00 0.00 H new ATOM 1009 N PRO A 63 -8.868 15.088 -11.440 1.00 0.00 N ATOM 1010 CA PRO A 63 -8.476 13.706 -11.720 1.00 0.00 C ATOM 1011 C PRO A 63 -9.563 12.712 -11.308 1.00 0.00 C ATOM 1012 O PRO A 63 -10.308 12.948 -10.357 1.00 0.00 O ATOM 1013 CB PRO A 63 -7.215 13.502 -10.860 1.00 0.00 C ATOM 1014 CG PRO A 63 -6.900 14.847 -10.282 1.00 0.00 C ATOM 1015 CD PRO A 63 -8.202 15.588 -10.237 1.00 0.00 C ATOM 0 HA PRO A 63 -8.309 13.537 -12.784 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -7.392 12.769 -10.073 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.386 13.130 -11.462 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.469 14.753 -9.285 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.171 15.375 -10.896 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.769 15.366 -9.333 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.060 16.668 -10.267 1.00 0.00 H new ATOM 1023 N THR A 64 -9.645 11.602 -12.024 1.00 0.00 N ATOM 1024 CA THR A 64 -10.618 10.560 -11.710 1.00 0.00 C ATOM 1025 C THR A 64 -9.912 9.216 -11.580 1.00 0.00 C ATOM 1026 O THR A 64 -9.139 8.822 -12.453 1.00 0.00 O ATOM 1027 CB THR A 64 -11.738 10.449 -12.768 1.00 0.00 C ATOM 1028 OG1 THR A 64 -12.449 11.688 -12.858 1.00 0.00 O ATOM 1029 CG2 THR A 64 -12.722 9.337 -12.424 1.00 0.00 C ATOM 0 H THR A 64 -9.051 11.396 -12.827 1.00 0.00 H new ATOM 0 HA THR A 64 -11.087 10.838 -10.766 1.00 0.00 H new ATOM 0 HB THR A 64 -11.268 10.215 -13.723 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.322 12.074 -13.750 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.497 9.287 -13.189 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.194 8.385 -12.380 1.00 0.00 H new ATOM 0 HG23 THR A 64 -13.180 9.543 -11.457 1.00 0.00 H new ATOM 1037 N LEU A 65 -10.182 8.526 -10.483 1.00 0.00 N ATOM 1038 CA LEU A 65 -9.589 7.225 -10.221 1.00 0.00 C ATOM 1039 C LEU A 65 -10.638 6.140 -10.412 1.00 0.00 C ATOM 1040 O LEU A 65 -11.648 6.127 -9.721 1.00 0.00 O ATOM 1041 CB LEU A 65 -9.050 7.180 -8.786 1.00 0.00 C ATOM 1042 CG LEU A 65 -8.390 5.860 -8.370 1.00 0.00 C ATOM 1043 CD1 LEU A 65 -7.176 5.569 -9.241 1.00 0.00 C ATOM 1044 CD2 LEU A 65 -7.994 5.904 -6.902 1.00 0.00 C ATOM 0 H LEU A 65 -10.816 8.851 -9.752 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.766 7.057 -10.916 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.324 7.984 -8.664 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.872 7.387 -8.101 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.112 5.056 -8.510 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.722 4.628 -8.930 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.485 5.495 -10.284 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.450 6.375 -9.134 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.527 4.960 -6.623 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.289 6.719 -6.740 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.882 6.065 -6.290 1.00 0.00 H new ATOM 1056 N ALA A 66 -10.412 5.236 -11.352 1.00 0.00 N ATOM 1057 CA ALA A 66 -11.363 4.161 -11.595 1.00 0.00 C ATOM 1058 C ALA A 66 -10.649 2.835 -11.785 1.00 0.00 C ATOM 1059 O ALA A 66 -9.678 2.734 -12.529 1.00 0.00 O ATOM 1060 CB ALA A 66 -12.238 4.460 -12.803 1.00 0.00 C ATOM 0 H ALA A 66 -9.588 5.223 -11.954 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.004 4.089 -10.716 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.937 3.638 -12.958 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.794 5.382 -12.631 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.611 4.574 -13.687 1.00 0.00 H new ATOM 1066 N LYS A 67 -11.147 1.819 -11.098 1.00 0.00 N ATOM 1067 CA LYS A 67 -10.586 0.489 -11.194 1.00 0.00 C ATOM 1068 C LYS A 67 -11.378 -0.283 -12.227 1.00 0.00 C ATOM 1069 O LYS A 67 -12.497 -0.719 -11.959 1.00 0.00 O ATOM 1070 CB LYS A 67 -10.658 -0.212 -9.833 1.00 0.00 C ATOM 1071 CG LYS A 67 -9.880 -1.520 -9.749 1.00 0.00 C ATOM 1072 CD LYS A 67 -10.016 -2.148 -8.370 1.00 0.00 C ATOM 1073 CE LYS A 67 -11.063 -3.255 -8.339 1.00 0.00 C ATOM 1074 NZ LYS A 67 -12.156 -3.047 -9.336 1.00 0.00 N ATOM 0 H LYS A 67 -11.943 1.895 -10.465 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.539 0.542 -11.491 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.282 0.468 -9.069 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.703 -0.411 -9.597 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.245 -2.214 -10.506 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.828 -1.336 -9.967 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.052 -2.554 -8.061 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.284 -1.377 -7.647 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.579 -4.212 -8.532 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.495 -3.312 -7.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.914 -3.740 -9.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.538 -2.085 -9.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.778 -3.171 -10.297 1.00 0.00 H new ATOM 1088 N VAL A 68 -10.804 -0.450 -13.402 1.00 0.00 N ATOM 1089 CA VAL A 68 -11.488 -1.152 -14.468 1.00 0.00 C ATOM 1090 C VAL A 68 -11.382 -2.659 -14.299 1.00 0.00 C ATOM 1091 O VAL A 68 -12.261 -3.400 -14.740 1.00 0.00 O ATOM 1092 CB VAL A 68 -10.957 -0.735 -15.853 1.00 0.00 C ATOM 1093 CG1 VAL A 68 -11.243 0.736 -16.108 1.00 0.00 C ATOM 1094 CG2 VAL A 68 -9.467 -1.024 -15.979 1.00 0.00 C ATOM 0 H VAL A 68 -9.872 -0.112 -13.641 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.540 -0.872 -14.407 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.476 -1.326 -16.608 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.862 1.016 -17.090 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.319 0.909 -16.073 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.754 1.340 -15.344 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.120 -0.720 -16.966 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.923 -0.468 -15.216 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.291 -2.091 -15.845 1.00 0.00 H new ATOM 1104 N LEU A 69 -10.313 -3.113 -13.651 1.00 0.00 N ATOM 1105 CA LEU A 69 -10.129 -4.550 -13.446 1.00 0.00 C ATOM 1106 C LEU A 69 -9.661 -4.856 -12.029 1.00 0.00 C ATOM 1107 O LEU A 69 -8.813 -4.148 -11.492 1.00 0.00 O ATOM 1108 CB LEU A 69 -9.114 -5.115 -14.450 1.00 0.00 C ATOM 1109 CG LEU A 69 -9.516 -5.021 -15.926 1.00 0.00 C ATOM 1110 CD1 LEU A 69 -8.355 -5.424 -16.821 1.00 0.00 C ATOM 1111 CD2 LEU A 69 -10.728 -5.896 -16.210 1.00 0.00 C ATOM 0 H LEU A 69 -9.575 -2.524 -13.266 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.097 -5.025 -13.603 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.168 -4.591 -14.316 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.935 -6.162 -14.207 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.780 -3.986 -16.142 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.658 -5.351 -17.865 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.510 -4.760 -16.642 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.063 -6.450 -16.599 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.997 -5.815 -17.263 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.491 -6.934 -15.975 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.566 -5.567 -15.595 1.00 0.00 H new ATOM 1123 N PRO A 70 -10.199 -5.921 -11.397 1.00 0.00 N ATOM 1124 CA PRO A 70 -11.246 -6.785 -11.972 1.00 0.00 C ATOM 1125 C PRO A 70 -12.607 -6.085 -12.040 1.00 0.00 C ATOM 1126 O PRO A 70 -12.878 -5.179 -11.250 1.00 0.00 O ATOM 1127 CB PRO A 70 -11.314 -7.974 -10.996 1.00 0.00 C ATOM 1128 CG PRO A 70 -10.087 -7.861 -10.157 1.00 0.00 C ATOM 1129 CD PRO A 70 -9.805 -6.393 -10.065 1.00 0.00 C ATOM 0 HA PRO A 70 -11.013 -7.069 -12.998 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.215 -7.930 -10.384 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -11.339 -8.923 -11.532 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.245 -8.294 -9.169 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.251 -8.395 -10.609 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.385 -5.915 -9.275 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.754 -6.192 -9.855 1.00 0.00 H new ATOM 1137 N PRO A 71 -13.474 -6.489 -12.990 1.00 0.00 N ATOM 1138 CA PRO A 71 -14.815 -5.908 -13.138 1.00 0.00 C ATOM 1139 C PRO A 71 -15.741 -6.306 -11.983 1.00 0.00 C ATOM 1140 O PRO A 71 -15.517 -7.330 -11.333 1.00 0.00 O ATOM 1141 CB PRO A 71 -15.313 -6.503 -14.459 1.00 0.00 C ATOM 1142 CG PRO A 71 -14.570 -7.786 -14.591 1.00 0.00 C ATOM 1143 CD PRO A 71 -13.211 -7.525 -14.006 1.00 0.00 C ATOM 0 HA PRO A 71 -14.798 -4.818 -13.130 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -16.390 -6.668 -14.439 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -15.108 -5.837 -15.297 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.078 -8.590 -14.059 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.496 -8.091 -15.635 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -12.784 -8.425 -13.562 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -12.507 -7.178 -14.762 1.00 0.00 H new ATOM 1151 N PRO A 72 -16.803 -5.519 -11.704 1.00 0.00 N ATOM 1152 CA PRO A 72 -17.143 -4.292 -12.447 1.00 0.00 C ATOM 1153 C PRO A 72 -16.205 -3.123 -12.151 1.00 0.00 C ATOM 1154 O PRO A 72 -15.441 -3.152 -11.187 1.00 0.00 O ATOM 1155 CB PRO A 72 -18.558 -3.975 -11.961 1.00 0.00 C ATOM 1156 CG PRO A 72 -18.607 -4.534 -10.584 1.00 0.00 C ATOM 1157 CD PRO A 72 -17.771 -5.784 -10.621 1.00 0.00 C ATOM 0 HA PRO A 72 -17.058 -4.441 -13.523 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -18.748 -2.902 -11.962 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -19.311 -4.432 -12.603 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.214 -3.822 -9.858 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -19.632 -4.757 -10.289 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.270 -5.960 -9.669 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -18.376 -6.666 -10.831 1.00 0.00 H new ATOM 1165 N VAL A 73 -16.274 -2.096 -12.994 1.00 0.00 N ATOM 1166 CA VAL A 73 -15.431 -0.915 -12.843 1.00 0.00 C ATOM 1167 C VAL A 73 -15.835 -0.102 -11.610 1.00 0.00 C ATOM 1168 O VAL A 73 -16.997 0.274 -11.450 1.00 0.00 O ATOM 1169 CB VAL A 73 -15.513 -0.016 -14.099 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -14.661 1.238 -13.935 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -15.096 -0.792 -15.340 1.00 0.00 C ATOM 0 H VAL A 73 -16.908 -2.059 -13.792 1.00 0.00 H new ATOM 0 HA VAL A 73 -14.405 -1.262 -12.717 1.00 0.00 H new ATOM 0 HB VAL A 73 -16.550 0.299 -14.221 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.738 1.850 -14.833 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.014 1.808 -13.076 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.621 0.953 -13.779 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -15.160 -0.143 -16.213 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.070 -1.142 -15.223 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.758 -1.647 -15.474 1.00 0.00 H new ATOM 1181 N ARG A 74 -14.859 0.162 -10.749 1.00 0.00 N ATOM 1182 CA ARG A 74 -15.086 0.930 -9.529 1.00 0.00 C ATOM 1183 C ARG A 74 -14.509 2.328 -9.665 1.00 0.00 C ATOM 1184 O ARG A 74 -13.299 2.502 -9.776 1.00 0.00 O ATOM 1185 CB ARG A 74 -14.457 0.201 -8.331 1.00 0.00 C ATOM 1186 CG ARG A 74 -14.405 1.023 -7.048 1.00 0.00 C ATOM 1187 CD ARG A 74 -15.797 1.374 -6.542 1.00 0.00 C ATOM 1188 NE ARG A 74 -16.559 0.188 -6.159 1.00 0.00 N ATOM 1189 CZ ARG A 74 -17.840 0.218 -5.803 1.00 0.00 C ATOM 1190 NH1 ARG A 74 -18.497 1.371 -5.778 1.00 0.00 N ATOM 1191 NH2 ARG A 74 -18.463 -0.905 -5.471 1.00 0.00 N ATOM 0 H ARG A 74 -13.895 -0.147 -10.874 1.00 0.00 H new ATOM 0 HA ARG A 74 -16.159 1.021 -9.363 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.021 -0.712 -8.140 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.444 -0.100 -8.596 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -13.870 0.464 -6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.842 1.939 -7.226 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -15.713 2.042 -5.685 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -16.338 1.917 -7.317 1.00 0.00 H new ATOM 0 HE ARG A 74 -16.082 -0.714 -6.165 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -18.019 2.236 -6.032 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -19.479 1.392 -5.505 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -17.960 -1.792 -5.489 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -19.446 -0.882 -5.198 1.00 0.00 H new ATOM 1205 N ARG A 75 -15.380 3.325 -9.644 1.00 0.00 N ATOM 1206 CA ARG A 75 -14.937 4.700 -9.756 1.00 0.00 C ATOM 1207 C ARG A 75 -14.817 5.324 -8.377 1.00 0.00 C ATOM 1208 O ARG A 75 -15.767 5.326 -7.593 1.00 0.00 O ATOM 1209 CB ARG A 75 -15.889 5.517 -10.621 1.00 0.00 C ATOM 1210 CG ARG A 75 -15.955 5.052 -12.065 1.00 0.00 C ATOM 1211 CD ARG A 75 -16.800 5.991 -12.906 1.00 0.00 C ATOM 1212 NE ARG A 75 -16.877 5.565 -14.302 1.00 0.00 N ATOM 1213 CZ ARG A 75 -17.755 4.672 -14.758 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -18.628 4.110 -13.930 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -17.759 4.345 -16.044 1.00 0.00 N ATOM 0 H ARG A 75 -16.389 3.207 -9.551 1.00 0.00 H new ATOM 0 HA ARG A 75 -13.958 4.702 -10.236 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.888 5.472 -10.188 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.579 6.562 -10.599 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.948 4.996 -12.478 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -16.373 4.046 -12.107 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -17.805 6.044 -12.488 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.381 6.996 -12.857 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.220 5.975 -14.966 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -18.628 4.361 -12.941 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -19.298 3.427 -14.283 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.091 4.777 -16.682 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.430 3.662 -16.394 1.00 0.00 H new ATOM 1229 N ILE A 76 -13.642 5.851 -8.094 1.00 0.00 N ATOM 1230 CA ILE A 76 -13.368 6.477 -6.813 1.00 0.00 C ATOM 1231 C ILE A 76 -13.233 7.990 -6.992 1.00 0.00 C ATOM 1232 O ILE A 76 -12.334 8.464 -7.691 1.00 0.00 O ATOM 1233 CB ILE A 76 -12.086 5.895 -6.184 1.00 0.00 C ATOM 1234 CG1 ILE A 76 -12.236 4.377 -6.036 1.00 0.00 C ATOM 1235 CG2 ILE A 76 -11.801 6.541 -4.832 1.00 0.00 C ATOM 1236 CD1 ILE A 76 -10.989 3.681 -5.557 1.00 0.00 C ATOM 0 H ILE A 76 -12.853 5.858 -8.741 1.00 0.00 H new ATOM 0 HA ILE A 76 -14.200 6.271 -6.140 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.241 6.111 -6.838 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.047 4.169 -5.338 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.528 3.956 -6.998 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.892 6.114 -4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.670 7.615 -4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -12.637 6.356 -4.157 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.177 2.610 -5.478 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.180 3.856 -6.266 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.706 4.072 -4.580 1.00 0.00 H new ATOM 1248 N ILE A 77 -14.129 8.747 -6.362 1.00 0.00 N ATOM 1249 CA ILE A 77 -14.114 10.204 -6.472 1.00 0.00 C ATOM 1250 C ILE A 77 -13.875 10.848 -5.109 1.00 0.00 C ATOM 1251 O ILE A 77 -14.573 10.550 -4.139 1.00 0.00 O ATOM 1252 CB ILE A 77 -15.442 10.739 -7.063 1.00 0.00 C ATOM 1253 CG1 ILE A 77 -15.741 10.081 -8.416 1.00 0.00 C ATOM 1254 CG2 ILE A 77 -15.394 12.257 -7.219 1.00 0.00 C ATOM 1255 CD1 ILE A 77 -14.685 10.336 -9.472 1.00 0.00 C ATOM 0 H ILE A 77 -14.873 8.376 -5.771 1.00 0.00 H new ATOM 0 HA ILE A 77 -13.298 10.468 -7.145 1.00 0.00 H new ATOM 0 HB ILE A 77 -16.242 10.485 -6.368 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -15.843 9.006 -8.271 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -16.701 10.445 -8.781 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.337 12.610 -7.636 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.233 12.718 -6.245 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -14.578 12.528 -7.888 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -14.969 9.838 -10.399 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -14.598 11.408 -9.648 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -13.727 9.946 -9.130 1.00 0.00 H new ATOM 1267 N GLY A 78 -12.880 11.725 -5.041 1.00 0.00 N ATOM 1268 CA GLY A 78 -12.564 12.400 -3.797 1.00 0.00 C ATOM 1269 C GLY A 78 -11.254 13.154 -3.883 1.00 0.00 C ATOM 1270 O GLY A 78 -10.723 13.354 -4.976 1.00 0.00 O ATOM 0 H GLY A 78 -12.285 11.981 -5.829 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.367 13.093 -3.546 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.510 11.669 -2.990 1.00 0.00 H new ATOM 1274 N ASP A 79 -10.730 13.572 -2.737 1.00 0.00 N ATOM 1275 CA ASP A 79 -9.465 14.298 -2.704 1.00 0.00 C ATOM 1276 C ASP A 79 -8.313 13.299 -2.753 1.00 0.00 C ATOM 1277 O ASP A 79 -7.946 12.709 -1.738 1.00 0.00 O ATOM 1278 CB ASP A 79 -9.371 15.154 -1.434 1.00 0.00 C ATOM 1279 CG ASP A 79 -8.115 16.006 -1.380 1.00 0.00 C ATOM 1280 OD1 ASP A 79 -7.345 16.004 -2.365 1.00 0.00 O ATOM 1281 OD2 ASP A 79 -7.898 16.674 -0.349 1.00 0.00 O ATOM 0 H ASP A 79 -11.158 13.422 -1.823 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.408 14.962 -3.567 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.245 15.802 -1.375 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.398 14.502 -0.561 1.00 0.00 H new ATOM 1286 N LEU A 80 -7.740 13.127 -3.939 1.00 0.00 N ATOM 1287 CA LEU A 80 -6.650 12.176 -4.127 1.00 0.00 C ATOM 1288 C LEU A 80 -5.287 12.787 -3.808 1.00 0.00 C ATOM 1289 O LEU A 80 -4.275 12.091 -3.844 1.00 0.00 O ATOM 1290 CB LEU A 80 -6.644 11.646 -5.564 1.00 0.00 C ATOM 1291 CG LEU A 80 -7.902 10.890 -5.997 1.00 0.00 C ATOM 1292 CD1 LEU A 80 -7.812 10.518 -7.469 1.00 0.00 C ATOM 1293 CD2 LEU A 80 -8.102 9.645 -5.145 1.00 0.00 C ATOM 0 H LEU A 80 -8.011 13.632 -4.783 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.823 11.356 -3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.496 12.487 -6.241 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.786 10.985 -5.685 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.763 11.543 -5.853 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.713 9.981 -7.764 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.717 11.424 -8.068 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.941 9.883 -7.631 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.002 9.123 -5.470 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.240 8.986 -5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.207 9.933 -4.099 1.00 0.00 H new ATOM 1305 N SER A 81 -5.255 14.083 -3.517 1.00 0.00 N ATOM 1306 CA SER A 81 -4.000 14.750 -3.181 1.00 0.00 C ATOM 1307 C SER A 81 -3.491 14.250 -1.832 1.00 0.00 C ATOM 1308 O SER A 81 -2.300 14.324 -1.532 1.00 0.00 O ATOM 1309 CB SER A 81 -4.181 16.269 -3.159 1.00 0.00 C ATOM 1310 OG SER A 81 -4.543 16.757 -4.442 1.00 0.00 O ATOM 0 H SER A 81 -6.075 14.689 -3.507 1.00 0.00 H new ATOM 0 HA SER A 81 -3.262 14.511 -3.947 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.950 16.537 -2.434 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.256 16.744 -2.833 1.00 0.00 H new ATOM 0 HG SER A 81 -4.655 17.730 -4.402 1.00 0.00 H new ATOM 1316 N ASN A 82 -4.418 13.754 -1.018 1.00 0.00 N ATOM 1317 CA ASN A 82 -4.088 13.204 0.288 1.00 0.00 C ATOM 1318 C ASN A 82 -3.662 11.749 0.126 1.00 0.00 C ATOM 1319 O ASN A 82 -4.444 10.911 -0.332 1.00 0.00 O ATOM 1320 CB ASN A 82 -5.286 13.318 1.233 1.00 0.00 C ATOM 1321 CG ASN A 82 -4.988 12.830 2.643 1.00 0.00 C ATOM 1322 OD1 ASN A 82 -3.861 12.448 2.963 1.00 0.00 O ATOM 1323 ND2 ASN A 82 -6.001 12.839 3.498 1.00 0.00 N ATOM 0 H ASN A 82 -5.412 13.723 -1.245 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.264 13.770 0.724 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.608 14.358 1.276 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.118 12.744 0.825 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.861 12.523 4.458 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -6.920 13.162 3.196 1.00 0.00 H new ATOM 1330 N ARG A 83 -2.421 11.459 0.506 1.00 0.00 N ATOM 1331 CA ARG A 83 -1.870 10.113 0.375 1.00 0.00 C ATOM 1332 C ARG A 83 -2.679 9.092 1.174 1.00 0.00 C ATOM 1333 O ARG A 83 -2.832 7.951 0.740 1.00 0.00 O ATOM 1334 CB ARG A 83 -0.396 10.075 0.788 1.00 0.00 C ATOM 1335 CG ARG A 83 0.531 10.795 -0.180 1.00 0.00 C ATOM 1336 CD ARG A 83 1.994 10.527 0.144 1.00 0.00 C ATOM 1337 NE ARG A 83 2.380 11.075 1.444 1.00 0.00 N ATOM 1338 CZ ARG A 83 2.819 12.319 1.624 1.00 0.00 C ATOM 1339 NH1 ARG A 83 2.927 13.145 0.591 1.00 0.00 N ATOM 1340 NH2 ARG A 83 3.149 12.735 2.840 1.00 0.00 N ATOM 0 H ARG A 83 -1.776 12.139 0.908 1.00 0.00 H new ATOM 0 HA ARG A 83 -1.937 9.840 -0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.293 10.523 1.776 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.079 9.036 0.875 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.318 10.471 -1.199 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.339 11.867 -0.140 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.175 9.452 0.136 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.622 10.962 -0.633 1.00 0.00 H new ATOM 0 HE ARG A 83 2.309 10.468 2.261 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.673 12.828 -0.345 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.264 14.097 0.733 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.066 12.102 3.636 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.485 13.688 2.979 1.00 0.00 H new ATOM 1354 N GLU A 84 -3.193 9.491 2.335 1.00 0.00 N ATOM 1355 CA GLU A 84 -3.988 8.583 3.158 1.00 0.00 C ATOM 1356 C GLU A 84 -5.240 8.093 2.437 1.00 0.00 C ATOM 1357 O GLU A 84 -5.543 6.908 2.494 1.00 0.00 O ATOM 1358 CB GLU A 84 -4.375 9.248 4.474 1.00 0.00 C ATOM 1359 CG GLU A 84 -3.216 9.367 5.446 1.00 0.00 C ATOM 1360 CD GLU A 84 -3.540 10.233 6.647 1.00 0.00 C ATOM 1361 OE1 GLU A 84 -4.543 10.978 6.591 1.00 0.00 O ATOM 1362 OE2 GLU A 84 -2.791 10.169 7.644 1.00 0.00 O ATOM 0 H GLU A 84 -3.075 10.427 2.724 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.362 7.714 3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.772 10.242 4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.176 8.675 4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.932 8.372 5.788 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.354 9.784 4.926 1.00 0.00 H new ATOM 1369 N LYS A 85 -5.963 8.977 1.751 1.00 0.00 N ATOM 1370 CA LYS A 85 -7.165 8.544 1.034 1.00 0.00 C ATOM 1371 C LYS A 85 -6.805 7.580 -0.089 1.00 0.00 C ATOM 1372 O LYS A 85 -7.504 6.592 -0.306 1.00 0.00 O ATOM 1373 CB LYS A 85 -7.971 9.719 0.483 1.00 0.00 C ATOM 1374 CG LYS A 85 -8.696 10.539 1.534 1.00 0.00 C ATOM 1375 CD LYS A 85 -9.465 11.677 0.882 1.00 0.00 C ATOM 1376 CE LYS A 85 -10.131 12.570 1.917 1.00 0.00 C ATOM 1377 NZ LYS A 85 -11.140 11.828 2.724 1.00 0.00 N ATOM 0 H LYS A 85 -5.748 9.971 1.676 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.796 8.030 1.759 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.299 10.375 -0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.703 9.338 -0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.382 9.902 2.092 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.979 10.940 2.250 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.786 12.272 0.271 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.222 11.268 0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.372 12.987 2.579 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -10.613 13.410 1.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.677 12.499 3.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.791 11.325 2.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.657 11.142 3.338 1.00 0.00 H new ATOM 1391 N VAL A 86 -5.719 7.865 -0.795 1.00 0.00 N ATOM 1392 CA VAL A 86 -5.265 6.992 -1.867 1.00 0.00 C ATOM 1393 C VAL A 86 -4.859 5.628 -1.304 1.00 0.00 C ATOM 1394 O VAL A 86 -5.200 4.587 -1.865 1.00 0.00 O ATOM 1395 CB VAL A 86 -4.095 7.626 -2.656 1.00 0.00 C ATOM 1396 CG1 VAL A 86 -3.500 6.632 -3.642 1.00 0.00 C ATOM 1397 CG2 VAL A 86 -4.580 8.871 -3.379 1.00 0.00 C ATOM 0 H VAL A 86 -5.139 8.690 -0.645 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.094 6.854 -2.561 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.311 7.905 -1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.680 7.103 -4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.126 5.763 -3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.268 6.317 -4.349 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.753 9.315 -3.934 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.378 8.602 -4.071 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.957 9.590 -2.652 1.00 0.00 H new ATOM 1407 N LEU A 87 -4.154 5.647 -0.176 1.00 0.00 N ATOM 1408 CA LEU A 87 -3.709 4.421 0.485 1.00 0.00 C ATOM 1409 C LEU A 87 -4.885 3.643 1.070 1.00 0.00 C ATOM 1410 O LEU A 87 -4.994 2.437 0.862 1.00 0.00 O ATOM 1411 CB LEU A 87 -2.722 4.753 1.606 1.00 0.00 C ATOM 1412 CG LEU A 87 -1.319 4.176 1.451 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -0.387 4.796 2.482 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -1.353 2.658 1.591 1.00 0.00 C ATOM 0 H LEU A 87 -3.876 6.504 0.303 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.222 3.802 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.641 5.837 1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.139 4.396 2.548 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.942 4.415 0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.613 4.379 2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.350 5.876 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.756 4.578 3.484 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.345 2.260 1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.740 2.392 2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.998 2.236 0.821 1.00 0.00 H new ATOM 1426 N ILE A 88 -5.753 4.333 1.799 1.00 0.00 N ATOM 1427 CA ILE A 88 -6.912 3.698 2.417 1.00 0.00 C ATOM 1428 C ILE A 88 -7.847 3.091 1.367 1.00 0.00 C ATOM 1429 O ILE A 88 -8.278 1.943 1.503 1.00 0.00 O ATOM 1430 CB ILE A 88 -7.666 4.701 3.317 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -6.806 5.013 4.547 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -9.029 4.157 3.731 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -7.257 6.226 5.326 1.00 0.00 C ATOM 0 H ILE A 88 -5.677 5.334 1.977 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.551 2.881 3.042 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.844 5.618 2.756 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.811 4.147 5.209 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.775 5.163 4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.535 4.886 4.364 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -9.631 3.969 2.842 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -8.897 3.227 4.284 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.596 6.377 6.179 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.224 7.105 4.682 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.277 6.073 5.680 1.00 0.00 H new ATOM 1445 N ALA A 89 -8.150 3.854 0.316 1.00 0.00 N ATOM 1446 CA ALA A 89 -9.020 3.364 -0.753 1.00 0.00 C ATOM 1447 C ALA A 89 -8.390 2.174 -1.476 1.00 0.00 C ATOM 1448 O ALA A 89 -9.072 1.201 -1.788 1.00 0.00 O ATOM 1449 CB ALA A 89 -9.358 4.477 -1.732 1.00 0.00 C ATOM 0 H ALA A 89 -7.809 4.806 0.183 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.949 3.023 -0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.006 4.087 -2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.871 5.282 -1.205 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.440 4.862 -2.177 1.00 0.00 H new ATOM 1455 N LEU A 90 -7.083 2.250 -1.728 1.00 0.00 N ATOM 1456 CA LEU A 90 -6.370 1.165 -2.400 1.00 0.00 C ATOM 1457 C LEU A 90 -6.310 -0.072 -1.507 1.00 0.00 C ATOM 1458 O LEU A 90 -6.426 -1.199 -1.987 1.00 0.00 O ATOM 1459 CB LEU A 90 -4.952 1.606 -2.799 1.00 0.00 C ATOM 1460 CG LEU A 90 -4.745 1.967 -4.276 1.00 0.00 C ATOM 1461 CD1 LEU A 90 -5.964 2.671 -4.858 1.00 0.00 C ATOM 1462 CD2 LEU A 90 -3.507 2.837 -4.421 1.00 0.00 C ATOM 0 H LEU A 90 -6.499 3.048 -1.478 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.918 0.912 -3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.679 2.470 -2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.259 0.805 -2.542 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.605 1.043 -4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.780 2.911 -5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.832 2.017 -4.783 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.153 3.590 -4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.362 3.092 -5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.634 3.750 -3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.636 2.293 -4.056 1.00 0.00 H new ATOM 1474 N ARG A 91 -6.130 0.144 -0.202 1.00 0.00 N ATOM 1475 CA ARG A 91 -6.061 -0.949 0.765 1.00 0.00 C ATOM 1476 C ARG A 91 -7.389 -1.709 0.833 1.00 0.00 C ATOM 1477 O ARG A 91 -7.409 -2.942 0.807 1.00 0.00 O ATOM 1478 CB ARG A 91 -5.699 -0.399 2.150 1.00 0.00 C ATOM 1479 CG ARG A 91 -5.546 -1.467 3.222 1.00 0.00 C ATOM 1480 CD ARG A 91 -5.005 -0.879 4.517 1.00 0.00 C ATOM 1481 NE ARG A 91 -3.629 -0.408 4.370 1.00 0.00 N ATOM 1482 CZ ARG A 91 -2.956 0.218 5.332 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -3.533 0.452 6.503 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -1.706 0.610 5.119 1.00 0.00 N ATOM 0 H ARG A 91 -6.029 1.072 0.209 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.288 -1.645 0.439 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.767 0.161 2.074 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.470 0.306 2.462 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.511 -1.938 3.409 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.874 -2.248 2.866 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.640 -0.051 4.833 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.049 -1.632 5.304 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.158 -0.568 3.480 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.494 0.152 6.667 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -3.016 0.932 7.240 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.262 0.431 4.218 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.189 1.090 5.856 1.00 0.00 H new ATOM 1498 N LEU A 92 -8.493 -0.966 0.922 1.00 0.00 N ATOM 1499 CA LEU A 92 -9.827 -1.570 0.989 1.00 0.00 C ATOM 1500 C LEU A 92 -10.162 -2.327 -0.294 1.00 0.00 C ATOM 1501 O LEU A 92 -10.763 -3.403 -0.250 1.00 0.00 O ATOM 1502 CB LEU A 92 -10.888 -0.498 1.256 1.00 0.00 C ATOM 1503 CG LEU A 92 -10.846 0.126 2.653 1.00 0.00 C ATOM 1504 CD1 LEU A 92 -11.783 1.321 2.730 1.00 0.00 C ATOM 1505 CD2 LEU A 92 -11.210 -0.906 3.712 1.00 0.00 C ATOM 0 H LEU A 92 -8.491 0.054 0.949 1.00 0.00 H new ATOM 0 HA LEU A 92 -9.825 -2.283 1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.774 0.295 0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -11.873 -0.938 1.101 1.00 0.00 H new ATOM 0 HG LEU A 92 -9.830 0.471 2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.741 1.753 3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.479 2.070 1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.802 0.999 2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.174 -0.443 4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.216 -1.282 3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.501 -1.733 3.673 1.00 0.00 H new ATOM 1517 N LEU A 93 -9.774 -1.761 -1.432 1.00 0.00 N ATOM 1518 CA LEU A 93 -10.028 -2.389 -2.723 1.00 0.00 C ATOM 1519 C LEU A 93 -9.212 -3.674 -2.866 1.00 0.00 C ATOM 1520 O LEU A 93 -9.698 -4.674 -3.398 1.00 0.00 O ATOM 1521 CB LEU A 93 -9.701 -1.419 -3.866 1.00 0.00 C ATOM 1522 CG LEU A 93 -10.885 -0.604 -4.408 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -11.884 -1.510 -5.108 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -11.569 0.180 -3.299 1.00 0.00 C ATOM 0 H LEU A 93 -9.283 -0.869 -1.486 1.00 0.00 H new ATOM 0 HA LEU A 93 -11.086 -2.645 -2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.934 -0.726 -3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.269 -1.989 -4.689 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.492 0.109 -5.133 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.715 -0.913 -5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -11.395 -2.017 -5.940 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.260 -2.251 -4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.403 0.746 -3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.941 -0.510 -2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.855 0.867 -2.845 1.00 0.00 H new ATOM 1536 N ALA A 94 -7.967 -3.636 -2.386 1.00 0.00 N ATOM 1537 CA ALA A 94 -7.070 -4.792 -2.443 1.00 0.00 C ATOM 1538 C ALA A 94 -7.619 -5.961 -1.638 1.00 0.00 C ATOM 1539 O ALA A 94 -7.488 -7.118 -2.042 1.00 0.00 O ATOM 1540 CB ALA A 94 -5.679 -4.419 -1.961 1.00 0.00 C ATOM 0 H ALA A 94 -7.555 -2.811 -1.951 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.002 -5.106 -3.485 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.030 -5.293 -2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -5.274 -3.629 -2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.733 -4.067 -0.931 1.00 0.00 H new ATOM 1546 N GLU A 95 -8.223 -5.654 -0.493 1.00 0.00 N ATOM 1547 CA GLU A 95 -8.806 -6.677 0.366 1.00 0.00 C ATOM 1548 C GLU A 95 -9.914 -7.419 -0.373 1.00 0.00 C ATOM 1549 O GLU A 95 -10.068 -8.633 -0.226 1.00 0.00 O ATOM 1550 CB GLU A 95 -9.362 -6.036 1.640 1.00 0.00 C ATOM 1551 CG GLU A 95 -8.285 -5.525 2.586 1.00 0.00 C ATOM 1552 CD GLU A 95 -8.849 -4.716 3.737 1.00 0.00 C ATOM 1553 OE1 GLU A 95 -10.023 -4.299 3.653 1.00 0.00 O ATOM 1554 OE2 GLU A 95 -8.116 -4.501 4.724 1.00 0.00 O ATOM 0 H GLU A 95 -8.321 -4.702 -0.139 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.029 -7.391 0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.015 -5.208 1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.978 -6.766 2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.725 -6.372 2.983 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.579 -4.910 2.027 1.00 0.00 H new ATOM 1561 N GLU A 96 -10.684 -6.674 -1.161 1.00 0.00 N ATOM 1562 CA GLU A 96 -11.769 -7.247 -1.950 1.00 0.00 C ATOM 1563 C GLU A 96 -11.218 -8.246 -2.964 1.00 0.00 C ATOM 1564 O GLU A 96 -11.796 -9.312 -3.186 1.00 0.00 O ATOM 1565 CB GLU A 96 -12.520 -6.131 -2.683 1.00 0.00 C ATOM 1566 CG GLU A 96 -13.328 -5.225 -1.764 1.00 0.00 C ATOM 1567 CD GLU A 96 -14.386 -5.975 -0.978 1.00 0.00 C ATOM 1568 OE1 GLU A 96 -15.151 -6.744 -1.596 1.00 0.00 O ATOM 1569 OE2 GLU A 96 -14.447 -5.793 0.255 1.00 0.00 O ATOM 0 H GLU A 96 -10.575 -5.666 -1.270 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.453 -7.767 -1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.802 -5.525 -3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.190 -6.579 -3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -12.653 -4.725 -1.070 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -13.807 -4.447 -2.358 1.00 0.00 H new ATOM 1576 N ILE A 97 -10.091 -7.881 -3.570 1.00 0.00 N ATOM 1577 CA ILE A 97 -9.428 -8.717 -4.566 1.00 0.00 C ATOM 1578 C ILE A 97 -8.906 -10.005 -3.932 1.00 0.00 C ATOM 1579 O ILE A 97 -9.081 -11.092 -4.480 1.00 0.00 O ATOM 1580 CB ILE A 97 -8.273 -7.939 -5.226 1.00 0.00 C ATOM 1581 CG1 ILE A 97 -8.857 -6.741 -5.963 1.00 0.00 C ATOM 1582 CG2 ILE A 97 -7.476 -8.823 -6.186 1.00 0.00 C ATOM 1583 CD1 ILE A 97 -7.823 -5.747 -6.400 1.00 0.00 C ATOM 0 H ILE A 97 -9.613 -6.999 -3.385 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.156 -8.985 -5.331 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.581 -7.604 -4.453 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -9.404 -7.093 -6.838 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.579 -6.242 -5.316 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.670 -8.241 -6.633 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -7.054 -9.666 -5.639 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -8.135 -9.193 -6.972 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.309 -4.920 -6.918 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.292 -5.366 -5.527 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.115 -6.231 -7.073 1.00 0.00 H new ATOM 1595 N GLY A 98 -8.265 -9.867 -2.771 1.00 0.00 N ATOM 1596 CA GLY A 98 -7.735 -11.021 -2.060 1.00 0.00 C ATOM 1597 C GLY A 98 -8.825 -11.983 -1.621 1.00 0.00 C ATOM 1598 O GLY A 98 -8.624 -13.197 -1.610 1.00 0.00 O ATOM 0 H GLY A 98 -8.103 -8.972 -2.309 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.028 -11.546 -2.702 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.180 -10.682 -1.185 1.00 0.00 H new ATOM 1602 N ASP A 99 -9.973 -11.427 -1.238 1.00 0.00 N ATOM 1603 CA ASP A 99 -11.119 -12.221 -0.795 1.00 0.00 C ATOM 1604 C ASP A 99 -11.645 -13.117 -1.917 1.00 0.00 C ATOM 1605 O ASP A 99 -12.027 -14.263 -1.680 1.00 0.00 O ATOM 1606 CB ASP A 99 -12.240 -11.306 -0.297 1.00 0.00 C ATOM 1607 CG ASP A 99 -13.394 -12.079 0.310 1.00 0.00 C ATOM 1608 OD1 ASP A 99 -13.190 -12.720 1.363 1.00 0.00 O ATOM 1609 OD2 ASP A 99 -14.501 -12.041 -0.265 1.00 0.00 O ATOM 0 H ASP A 99 -10.135 -10.420 -1.226 1.00 0.00 H new ATOM 0 HA ASP A 99 -10.782 -12.859 0.022 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -11.839 -10.616 0.445 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -12.608 -10.703 -1.127 1.00 0.00 H new ATOM 1614 N TYR A 100 -11.673 -12.584 -3.135 1.00 0.00 N ATOM 1615 CA TYR A 100 -12.161 -13.332 -4.284 1.00 0.00 C ATOM 1616 C TYR A 100 -11.089 -14.283 -4.806 1.00 0.00 C ATOM 1617 O TYR A 100 -10.043 -13.859 -5.296 1.00 0.00 O ATOM 1618 CB TYR A 100 -12.597 -12.367 -5.395 1.00 0.00 C ATOM 1619 CG TYR A 100 -13.109 -13.054 -6.644 1.00 0.00 C ATOM 1620 CD1 TYR A 100 -14.378 -13.620 -6.679 1.00 0.00 C ATOM 1621 CD2 TYR A 100 -12.325 -13.132 -7.788 1.00 0.00 C ATOM 1622 CE1 TYR A 100 -14.848 -14.244 -7.818 1.00 0.00 C ATOM 1623 CE2 TYR A 100 -12.788 -13.756 -8.931 1.00 0.00 C ATOM 1624 CZ TYR A 100 -14.051 -14.310 -8.940 1.00 0.00 C ATOM 1625 OH TYR A 100 -14.516 -14.930 -10.076 1.00 0.00 O ATOM 0 H TYR A 100 -11.363 -11.636 -3.350 1.00 0.00 H new ATOM 0 HA TYR A 100 -13.020 -13.924 -3.969 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -13.377 -11.712 -5.007 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -11.752 -11.732 -5.663 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -15.006 -13.571 -5.802 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -11.336 -12.697 -7.784 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -15.837 -14.679 -7.829 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -12.165 -13.809 -9.811 1.00 0.00 H new ATOM 0 HH TYR A 100 -13.831 -14.888 -10.775 1.00 0.00 H new ATOM 1635 N LYS A 101 -11.367 -15.572 -4.699 1.00 0.00 N ATOM 1636 CA LYS A 101 -10.441 -16.597 -5.161 1.00 0.00 C ATOM 1637 C LYS A 101 -11.007 -17.322 -6.377 1.00 0.00 C ATOM 1638 O LYS A 101 -12.216 -17.538 -6.472 1.00 0.00 O ATOM 1639 CB LYS A 101 -10.150 -17.602 -4.041 1.00 0.00 C ATOM 1640 CG LYS A 101 -9.588 -16.970 -2.774 1.00 0.00 C ATOM 1641 CD LYS A 101 -8.173 -16.447 -2.980 1.00 0.00 C ATOM 1642 CE LYS A 101 -7.153 -17.577 -3.009 1.00 0.00 C ATOM 1643 NZ LYS A 101 -7.110 -18.320 -1.719 1.00 0.00 N ATOM 0 H LYS A 101 -12.230 -15.936 -4.295 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.509 -16.109 -5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.070 -18.132 -3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.443 -18.346 -4.408 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.235 -16.152 -2.459 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.590 -17.706 -1.970 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.124 -15.889 -3.915 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.922 -15.751 -2.179 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -7.398 -18.266 -3.817 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.166 -17.169 -3.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -6.203 -18.822 -1.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.208 -17.650 -0.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.890 -19.008 -1.688 1.00 0.00 H new ATOM 1657 N ASP A 102 -10.131 -17.699 -7.302 1.00 0.00 N ATOM 1658 CA ASP A 102 -10.554 -18.400 -8.509 1.00 0.00 C ATOM 1659 C ASP A 102 -10.553 -19.908 -8.280 1.00 0.00 C ATOM 1660 O ASP A 102 -9.499 -20.542 -8.273 1.00 0.00 O ATOM 1661 CB ASP A 102 -9.632 -18.050 -9.682 1.00 0.00 C ATOM 1662 CG ASP A 102 -10.108 -18.644 -10.995 1.00 0.00 C ATOM 1663 OD1 ASP A 102 -11.319 -18.920 -11.119 1.00 0.00 O ATOM 1664 OD2 ASP A 102 -9.266 -18.832 -11.898 1.00 0.00 O ATOM 0 H ASP A 102 -9.127 -17.532 -7.240 1.00 0.00 H new ATOM 0 HA ASP A 102 -11.568 -18.082 -8.750 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -9.569 -16.966 -9.779 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -8.626 -18.410 -9.468 1.00 0.00 H new ATOM 1669 N ASP A 103 -11.740 -20.475 -8.093 1.00 0.00 N ATOM 1670 CA ASP A 103 -11.871 -21.909 -7.863 1.00 0.00 C ATOM 1671 C ASP A 103 -12.062 -22.640 -9.191 1.00 0.00 C ATOM 1672 O ASP A 103 -13.121 -22.551 -9.809 1.00 0.00 O ATOM 1673 CB ASP A 103 -13.050 -22.197 -6.925 1.00 0.00 C ATOM 1674 CG ASP A 103 -13.141 -23.658 -6.514 1.00 0.00 C ATOM 1675 OD1 ASP A 103 -12.267 -24.455 -6.924 1.00 0.00 O ATOM 1676 OD2 ASP A 103 -14.082 -24.001 -5.770 1.00 0.00 O ATOM 0 H ASP A 103 -12.623 -19.965 -8.096 1.00 0.00 H new ATOM 0 HA ASP A 103 -10.957 -22.270 -7.391 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.955 -21.580 -6.032 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -13.978 -21.906 -7.417 1.00 0.00 H new ATOM 1681 N ASP A 104 -11.023 -23.355 -9.619 1.00 0.00 N ATOM 1682 CA ASP A 104 -11.058 -24.107 -10.876 1.00 0.00 C ATOM 1683 C ASP A 104 -12.080 -25.245 -10.827 1.00 0.00 C ATOM 1684 O ASP A 104 -12.634 -25.636 -11.854 1.00 0.00 O ATOM 1685 CB ASP A 104 -9.670 -24.668 -11.198 1.00 0.00 C ATOM 1686 CG ASP A 104 -9.592 -25.255 -12.594 1.00 0.00 C ATOM 1687 OD1 ASP A 104 -9.772 -24.496 -13.568 1.00 0.00 O ATOM 1688 OD2 ASP A 104 -9.343 -26.473 -12.711 1.00 0.00 O ATOM 0 H ASP A 104 -10.141 -23.431 -9.112 1.00 0.00 H new ATOM 0 HA ASP A 104 -11.362 -23.416 -11.663 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -8.929 -23.875 -11.099 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.414 -25.437 -10.469 1.00 0.00 H new ATOM 1693 N ASP A 105 -12.320 -25.778 -9.634 1.00 0.00 N ATOM 1694 CA ASP A 105 -13.269 -26.875 -9.469 1.00 0.00 C ATOM 1695 C ASP A 105 -14.689 -26.335 -9.312 1.00 0.00 C ATOM 1696 O ASP A 105 -15.053 -25.817 -8.259 1.00 0.00 O ATOM 1697 CB ASP A 105 -12.899 -27.724 -8.250 1.00 0.00 C ATOM 1698 CG ASP A 105 -13.759 -28.966 -8.119 1.00 0.00 C ATOM 1699 OD1 ASP A 105 -14.316 -29.415 -9.142 1.00 0.00 O ATOM 1700 OD2 ASP A 105 -13.871 -29.493 -6.992 1.00 0.00 O ATOM 0 H ASP A 105 -11.873 -25.471 -8.770 1.00 0.00 H new ATOM 0 HA ASP A 105 -13.226 -27.500 -10.361 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.852 -28.018 -8.322 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -13.000 -27.120 -7.348 1.00 0.00 H new ATOM 1705 N LYS A 106 -15.486 -26.462 -10.368 1.00 0.00 N ATOM 1706 CA LYS A 106 -16.865 -25.985 -10.346 1.00 0.00 C ATOM 1707 C LYS A 106 -17.772 -26.967 -9.610 1.00 0.00 C ATOM 1708 O LYS A 106 -17.611 -28.189 -9.816 1.00 0.00 O ATOM 1709 CB LYS A 106 -17.379 -25.772 -11.775 1.00 0.00 C ATOM 1710 CG LYS A 106 -16.507 -24.849 -12.617 1.00 0.00 C ATOM 1711 CD LYS A 106 -16.452 -23.443 -12.039 1.00 0.00 C ATOM 1712 CE LYS A 106 -15.629 -22.513 -12.917 1.00 0.00 C ATOM 1713 NZ LYS A 106 -16.217 -22.368 -14.278 1.00 0.00 N ATOM 1714 OXT LYS A 106 -18.638 -26.507 -8.837 1.00 0.00 O ATOM 0 H LYS A 106 -15.202 -26.891 -11.249 1.00 0.00 H new ATOM 0 HA LYS A 106 -16.883 -25.034 -9.814 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -17.451 -26.739 -12.272 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -18.387 -25.361 -11.730 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -15.498 -25.257 -12.677 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -16.896 -24.809 -13.634 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -17.464 -23.050 -11.938 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -16.022 -23.476 -11.038 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -15.562 -21.533 -12.444 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -14.612 -22.897 -13.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -16.277 -21.359 -14.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -15.615 -22.858 -14.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -17.170 -22.785 -14.291 1.00 0.00 H new TER 1728 LYS A 106