USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 590 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 SER OG : rot -25:sc= 0.198 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 158:sc= -0.248 (180deg=-0.898) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -167:sc= -0.477 USER MOD Single : A 13 MET CE :methyl 163:sc= -1.46! (180deg=-2.58!) USER MOD Single : A 17 ASN : amide:sc= -2.51! C(o=-2.5!,f=-8.4!) USER MOD Single : A 18 SER OG : rot -55:sc= 0.624 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -2.67 K(o=-2.7,f=-3.7!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -168:sc= -5.72! (180deg=-5.91!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= -0.148 (180deg=-0.951) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.501) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -142:sc= -0.275 (180deg=-1.58!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.341) USER MOD Single : A 73 ASN : amide:sc= -1.78! C(o=-1.8!,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -8.402 8.783 -9.724 1.00 0.00 N ATOM 2 CA SER A 2 -7.427 7.957 -8.959 1.00 0.00 C ATOM 3 C SER A 2 -6.043 8.080 -9.600 1.00 0.00 C ATOM 4 O SER A 2 -5.914 8.178 -10.804 1.00 0.00 O ATOM 5 CB SER A 2 -7.869 6.494 -8.984 1.00 0.00 C ATOM 6 OG SER A 2 -8.069 6.090 -10.332 1.00 0.00 O ATOM 0 HA SER A 2 -7.384 8.307 -7.928 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.114 5.865 -8.511 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.790 6.370 -8.414 1.00 0.00 H new ATOM 0 HG SER A 2 -8.278 6.874 -10.881 1.00 0.00 H new ATOM 12 N ASP A 3 -5.008 8.075 -8.807 1.00 0.00 N ATOM 13 CA ASP A 3 -3.637 8.192 -9.377 1.00 0.00 C ATOM 14 C ASP A 3 -3.427 7.098 -10.424 1.00 0.00 C ATOM 15 O ASP A 3 -4.029 6.045 -10.357 1.00 0.00 O ATOM 16 CB ASP A 3 -2.605 8.038 -8.258 1.00 0.00 C ATOM 17 CG ASP A 3 -2.961 8.971 -7.098 1.00 0.00 C ATOM 18 OD1 ASP A 3 -3.781 9.852 -7.304 1.00 0.00 O ATOM 19 OD2 ASP A 3 -2.407 8.790 -6.027 1.00 0.00 O ATOM 0 H ASP A 3 -5.052 7.995 -7.791 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.518 9.169 -9.846 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -2.580 7.005 -7.912 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.609 8.272 -8.634 1.00 0.00 H new ATOM 24 N LYS A 4 -2.577 7.327 -11.393 1.00 0.00 N ATOM 25 CA LYS A 4 -2.346 6.276 -12.425 1.00 0.00 C ATOM 26 C LYS A 4 -0.897 5.735 -12.393 1.00 0.00 C ATOM 27 O LYS A 4 -0.357 5.414 -13.433 1.00 0.00 O ATOM 28 CB LYS A 4 -2.628 6.867 -13.809 1.00 0.00 C ATOM 29 CG LYS A 4 -3.054 5.753 -14.768 1.00 0.00 C ATOM 30 CD LYS A 4 -2.048 5.654 -15.916 1.00 0.00 C ATOM 31 CE LYS A 4 -2.215 6.855 -16.852 1.00 0.00 C ATOM 32 NZ LYS A 4 -2.831 6.404 -18.132 1.00 0.00 N ATOM 0 H LYS A 4 -2.040 8.186 -11.512 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.017 5.444 -12.211 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.412 7.621 -13.740 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.738 7.367 -14.190 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.110 4.803 -14.237 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.050 5.958 -15.160 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.032 5.626 -15.521 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.201 4.726 -16.468 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.842 7.612 -16.381 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.247 7.317 -17.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.945 7.219 -18.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.217 5.696 -18.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.762 5.982 -17.940 1.00 0.00 H new ATOM 46 N PRO A 5 -0.310 5.614 -11.219 1.00 0.00 N ATOM 47 CA PRO A 5 1.054 5.074 -11.073 1.00 0.00 C ATOM 48 C PRO A 5 1.063 3.563 -11.254 1.00 0.00 C ATOM 49 O PRO A 5 0.032 2.928 -11.350 1.00 0.00 O ATOM 50 CB PRO A 5 1.452 5.436 -9.659 1.00 0.00 C ATOM 51 CG PRO A 5 0.144 5.654 -8.895 1.00 0.00 C ATOM 52 CD PRO A 5 -0.927 5.998 -9.940 1.00 0.00 C ATOM 0 HA PRO A 5 1.738 5.478 -11.820 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.042 4.640 -9.204 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.067 6.336 -9.645 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.132 4.759 -8.338 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.250 6.461 -8.170 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -1.851 5.448 -9.761 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.178 7.058 -9.920 1.00 0.00 H new ATOM 60 N LYS A 6 2.227 2.987 -11.298 1.00 0.00 N ATOM 61 CA LYS A 6 2.327 1.510 -11.468 1.00 0.00 C ATOM 62 C LYS A 6 1.804 0.810 -10.207 1.00 0.00 C ATOM 63 O LYS A 6 2.559 0.479 -9.315 1.00 0.00 O ATOM 64 CB LYS A 6 3.779 1.123 -11.721 1.00 0.00 C ATOM 65 CG LYS A 6 3.984 -0.369 -11.444 1.00 0.00 C ATOM 66 CD LYS A 6 4.718 -1.012 -12.622 1.00 0.00 C ATOM 67 CE LYS A 6 6.082 -1.526 -12.156 1.00 0.00 C ATOM 68 NZ LYS A 6 7.084 -0.426 -12.239 1.00 0.00 N ATOM 0 H LYS A 6 3.119 3.475 -11.223 1.00 0.00 H new ATOM 0 HA LYS A 6 1.724 1.199 -12.321 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.049 1.349 -12.752 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.437 1.713 -11.083 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.558 -0.504 -10.527 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.021 -0.857 -11.292 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.127 -1.834 -13.027 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.846 -0.285 -13.424 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.013 -1.893 -11.132 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.397 -2.366 -12.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.880 -0.633 -11.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.433 -0.347 -13.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.639 0.471 -11.957 1.00 0.00 H new ATOM 82 N ARG A 7 0.511 0.607 -10.139 1.00 0.00 N ATOM 83 CA ARG A 7 -0.127 -0.053 -8.961 1.00 0.00 C ATOM 84 C ARG A 7 0.865 -0.980 -8.223 1.00 0.00 C ATOM 85 O ARG A 7 1.300 -1.981 -8.756 1.00 0.00 O ATOM 86 CB ARG A 7 -1.325 -0.878 -9.438 1.00 0.00 C ATOM 87 CG ARG A 7 -0.870 -1.856 -10.525 1.00 0.00 C ATOM 88 CD ARG A 7 -1.396 -1.397 -11.886 1.00 0.00 C ATOM 89 NE ARG A 7 -0.314 -1.531 -12.904 1.00 0.00 N ATOM 90 CZ ARG A 7 -0.586 -1.370 -14.172 1.00 0.00 C ATOM 91 NH1 ARG A 7 -1.651 -0.709 -14.533 1.00 0.00 N ATOM 92 NH2 ARG A 7 0.212 -1.868 -15.078 1.00 0.00 N ATOM 0 H ARG A 7 -0.144 0.879 -10.872 1.00 0.00 H new ATOM 0 HA ARG A 7 -0.446 0.724 -8.267 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.760 -1.424 -8.601 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.102 -0.220 -9.828 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.218 -1.911 -10.545 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.236 -2.858 -10.302 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.260 -1.996 -12.176 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.731 -0.361 -11.829 1.00 0.00 H new ATOM 0 HE ARG A 7 0.638 -1.748 -12.610 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.272 -0.317 -13.825 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.862 -0.584 -15.523 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.047 -2.382 -14.796 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.001 -1.743 -16.068 1.00 0.00 H new ATOM 106 N PRO A 8 1.182 -0.594 -7.012 1.00 0.00 N ATOM 107 CA PRO A 8 2.110 -1.317 -6.130 1.00 0.00 C ATOM 108 C PRO A 8 1.400 -2.482 -5.435 1.00 0.00 C ATOM 109 O PRO A 8 0.257 -2.376 -5.035 1.00 0.00 O ATOM 110 CB PRO A 8 2.525 -0.245 -5.111 1.00 0.00 C ATOM 111 CG PRO A 8 1.402 0.827 -5.123 1.00 0.00 C ATOM 112 CD PRO A 8 0.636 0.629 -6.425 1.00 0.00 C ATOM 0 HA PRO A 8 2.955 -1.756 -6.660 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.639 -0.677 -4.117 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.485 0.195 -5.379 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.743 0.710 -4.263 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.822 1.831 -5.068 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.434 0.533 -6.241 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.770 1.480 -7.093 1.00 0.00 H new ATOM 120 N LEU A 9 2.066 -3.594 -5.295 1.00 0.00 N ATOM 121 CA LEU A 9 1.439 -4.764 -4.634 1.00 0.00 C ATOM 122 C LEU A 9 2.521 -5.729 -4.140 1.00 0.00 C ATOM 123 O LEU A 9 3.654 -5.689 -4.577 1.00 0.00 O ATOM 124 CB LEU A 9 0.498 -5.441 -5.624 1.00 0.00 C ATOM 125 CG LEU A 9 1.235 -5.744 -6.919 1.00 0.00 C ATOM 126 CD1 LEU A 9 2.224 -6.863 -6.653 1.00 0.00 C ATOM 127 CD2 LEU A 9 0.226 -6.191 -7.975 1.00 0.00 C ATOM 0 H LEU A 9 3.024 -3.740 -5.613 1.00 0.00 H new ATOM 0 HA LEU A 9 0.864 -4.444 -3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.107 -6.363 -5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.357 -4.796 -5.825 1.00 0.00 H new ATOM 0 HG LEU A 9 1.761 -4.859 -7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.764 -7.097 -7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.931 -6.549 -5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.688 -7.749 -6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.747 -6.410 -8.907 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.290 -7.086 -7.629 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.500 -5.396 -8.144 1.00 0.00 H new ATOM 139 N SER A 10 2.177 -6.586 -3.217 1.00 0.00 N ATOM 140 CA SER A 10 3.176 -7.551 -2.665 1.00 0.00 C ATOM 141 C SER A 10 3.725 -8.457 -3.773 1.00 0.00 C ATOM 142 O SER A 10 3.077 -8.720 -4.766 1.00 0.00 O ATOM 143 CB SER A 10 2.511 -8.413 -1.591 1.00 0.00 C ATOM 144 OG SER A 10 3.214 -8.262 -0.363 1.00 0.00 O ATOM 0 H SER A 10 1.241 -6.661 -2.818 1.00 0.00 H new ATOM 0 HA SER A 10 4.002 -6.987 -2.233 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.469 -8.118 -1.465 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.511 -9.459 -1.897 1.00 0.00 H new ATOM 0 HG SER A 10 2.789 -8.812 0.327 1.00 0.00 H new ATOM 150 N ALA A 11 4.923 -8.942 -3.603 1.00 0.00 N ATOM 151 CA ALA A 11 5.522 -9.832 -4.635 1.00 0.00 C ATOM 152 C ALA A 11 4.603 -11.033 -4.878 1.00 0.00 C ATOM 153 O ALA A 11 4.320 -11.392 -6.004 1.00 0.00 O ATOM 154 CB ALA A 11 6.886 -10.323 -4.148 1.00 0.00 C ATOM 0 H ALA A 11 5.514 -8.760 -2.792 1.00 0.00 H new ATOM 0 HA ALA A 11 5.643 -9.278 -5.566 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.328 -10.975 -4.901 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.541 -9.468 -3.978 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.762 -10.876 -3.217 1.00 0.00 H new ATOM 160 N TYR A 12 4.135 -11.654 -3.830 1.00 0.00 N ATOM 161 CA TYR A 12 3.238 -12.825 -3.991 1.00 0.00 C ATOM 162 C TYR A 12 2.115 -12.480 -4.970 1.00 0.00 C ATOM 163 O TYR A 12 1.594 -13.333 -5.660 1.00 0.00 O ATOM 164 CB TYR A 12 2.652 -13.161 -2.624 1.00 0.00 C ATOM 165 CG TYR A 12 1.546 -14.177 -2.770 1.00 0.00 C ATOM 166 CD1 TYR A 12 1.778 -15.371 -3.465 1.00 0.00 C ATOM 167 CD2 TYR A 12 0.289 -13.929 -2.206 1.00 0.00 C ATOM 168 CE1 TYR A 12 0.753 -16.315 -3.596 1.00 0.00 C ATOM 169 CE2 TYR A 12 -0.736 -14.874 -2.336 1.00 0.00 C ATOM 170 CZ TYR A 12 -0.503 -16.067 -3.031 1.00 0.00 C ATOM 171 OH TYR A 12 -1.513 -16.998 -3.158 1.00 0.00 O ATOM 0 H TYR A 12 4.339 -11.396 -2.864 1.00 0.00 H new ATOM 0 HA TYR A 12 3.791 -13.679 -4.383 1.00 0.00 H new ATOM 0 HB2 TYR A 12 3.432 -13.553 -1.971 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.266 -12.257 -2.153 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.748 -15.563 -3.900 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.110 -13.008 -1.670 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.931 -17.235 -4.133 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.706 -14.683 -1.901 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.366 -16.593 -2.896 1.00 0.00 H new ATOM 181 N MET A 13 1.738 -11.233 -5.034 1.00 0.00 N ATOM 182 CA MET A 13 0.652 -10.828 -5.961 1.00 0.00 C ATOM 183 C MET A 13 1.188 -10.767 -7.394 1.00 0.00 C ATOM 184 O MET A 13 0.540 -11.211 -8.321 1.00 0.00 O ATOM 185 CB MET A 13 0.126 -9.452 -5.557 1.00 0.00 C ATOM 186 CG MET A 13 0.025 -9.360 -4.034 1.00 0.00 C ATOM 187 SD MET A 13 -1.712 -9.194 -3.555 1.00 0.00 S ATOM 188 CE MET A 13 -2.346 -10.589 -4.518 1.00 0.00 C ATOM 0 H MET A 13 2.139 -10.476 -4.480 1.00 0.00 H new ATOM 0 HA MET A 13 -0.155 -11.559 -5.910 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.790 -8.674 -5.934 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.852 -9.281 -6.006 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.456 -10.250 -3.576 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.597 -8.506 -3.672 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.334 -10.866 -4.150 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.417 -10.304 -5.568 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.670 -11.438 -4.417 1.00 0.00 H new ATOM 198 N LEU A 14 2.362 -10.221 -7.596 1.00 0.00 N ATOM 199 CA LEU A 14 2.893 -10.156 -8.991 1.00 0.00 C ATOM 200 C LEU A 14 2.824 -11.553 -9.599 1.00 0.00 C ATOM 201 O LEU A 14 2.294 -11.748 -10.675 1.00 0.00 O ATOM 202 CB LEU A 14 4.347 -9.667 -9.019 1.00 0.00 C ATOM 203 CG LEU A 14 4.493 -8.382 -8.193 1.00 0.00 C ATOM 204 CD1 LEU A 14 5.976 -8.078 -7.958 1.00 0.00 C ATOM 205 CD2 LEU A 14 3.861 -7.219 -8.961 1.00 0.00 C ATOM 0 H LEU A 14 2.963 -9.826 -6.873 1.00 0.00 H new ATOM 0 HA LEU A 14 2.290 -9.449 -9.561 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.005 -10.440 -8.622 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.656 -9.483 -10.048 1.00 0.00 H new ATOM 0 HG LEU A 14 3.995 -8.513 -7.232 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.072 -7.165 -7.371 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.436 -8.906 -7.418 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.477 -7.947 -8.917 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.961 -6.302 -8.380 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.366 -7.098 -9.919 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.805 -7.427 -9.132 1.00 0.00 H new ATOM 217 N TRP A 15 3.343 -12.533 -8.912 1.00 0.00 N ATOM 218 CA TRP A 15 3.290 -13.918 -9.450 1.00 0.00 C ATOM 219 C TRP A 15 1.825 -14.320 -9.621 1.00 0.00 C ATOM 220 O TRP A 15 1.454 -14.972 -10.575 1.00 0.00 O ATOM 221 CB TRP A 15 3.973 -14.880 -8.474 1.00 0.00 C ATOM 222 CG TRP A 15 3.681 -16.286 -8.884 1.00 0.00 C ATOM 223 CD1 TRP A 15 4.367 -16.978 -9.821 1.00 0.00 C ATOM 224 CD2 TRP A 15 2.640 -17.179 -8.394 1.00 0.00 C ATOM 225 NE1 TRP A 15 3.811 -18.240 -9.940 1.00 0.00 N ATOM 226 CE2 TRP A 15 2.743 -18.411 -9.081 1.00 0.00 C ATOM 227 CE3 TRP A 15 1.625 -17.041 -7.430 1.00 0.00 C ATOM 228 CZ2 TRP A 15 1.871 -19.468 -8.823 1.00 0.00 C ATOM 229 CZ3 TRP A 15 0.745 -18.103 -7.166 1.00 0.00 C ATOM 230 CH2 TRP A 15 0.868 -19.314 -7.861 1.00 0.00 C ATOM 0 H TRP A 15 3.799 -12.434 -8.005 1.00 0.00 H new ATOM 0 HA TRP A 15 3.805 -13.962 -10.410 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.049 -14.707 -8.467 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.615 -14.703 -7.460 1.00 0.00 H new ATOM 0 HD1 TRP A 15 5.210 -16.607 -10.384 1.00 0.00 H new ATOM 0 HE1 TRP A 15 4.149 -18.956 -10.583 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.522 -16.112 -6.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 1.970 -20.399 -9.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.031 -17.986 -6.424 1.00 0.00 H new ATOM 0 HH2 TRP A 15 0.189 -20.128 -7.654 1.00 0.00 H new ATOM 241 N LEU A 16 0.987 -13.925 -8.700 1.00 0.00 N ATOM 242 CA LEU A 16 -0.457 -14.271 -8.803 1.00 0.00 C ATOM 243 C LEU A 16 -0.982 -13.850 -10.178 1.00 0.00 C ATOM 244 O LEU A 16 -1.820 -14.509 -10.760 1.00 0.00 O ATOM 245 CB LEU A 16 -1.236 -13.534 -7.711 1.00 0.00 C ATOM 246 CG LEU A 16 -1.963 -14.549 -6.826 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.050 -15.251 -7.640 1.00 0.00 C ATOM 248 CD2 LEU A 16 -0.962 -15.587 -6.311 1.00 0.00 C ATOM 0 H LEU A 16 1.243 -13.376 -7.879 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.586 -15.346 -8.677 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.556 -12.932 -7.108 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.954 -12.849 -8.162 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.419 -14.032 -5.981 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.567 -15.974 -7.009 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.764 -14.513 -8.007 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.595 -15.767 -8.485 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.480 -16.310 -5.681 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.506 -16.103 -7.156 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.187 -15.088 -5.729 1.00 0.00 H new ATOM 260 N ASN A 17 -0.494 -12.758 -10.702 1.00 0.00 N ATOM 261 CA ASN A 17 -0.963 -12.299 -12.036 1.00 0.00 C ATOM 262 C ASN A 17 -0.451 -13.256 -13.114 1.00 0.00 C ATOM 263 O ASN A 17 -1.117 -13.515 -14.096 1.00 0.00 O ATOM 264 CB ASN A 17 -0.431 -10.903 -12.304 1.00 0.00 C ATOM 265 CG ASN A 17 -0.552 -10.048 -11.042 1.00 0.00 C ATOM 266 OD1 ASN A 17 -1.062 -10.497 -10.034 1.00 0.00 O ATOM 267 ND2 ASN A 17 -0.102 -8.823 -11.053 1.00 0.00 N ATOM 0 H ASN A 17 0.210 -12.165 -10.262 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.053 -12.283 -12.053 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.611 -10.956 -12.619 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.988 -10.443 -13.120 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.179 -8.244 -10.217 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.326 -8.445 -11.898 1.00 0.00 H new ATOM 274 N SER A 18 0.729 -13.784 -12.939 1.00 0.00 N ATOM 275 CA SER A 18 1.283 -14.726 -13.953 1.00 0.00 C ATOM 276 C SER A 18 0.628 -16.099 -13.790 1.00 0.00 C ATOM 277 O SER A 18 0.778 -16.972 -14.621 1.00 0.00 O ATOM 278 CB SER A 18 2.788 -14.850 -13.762 1.00 0.00 C ATOM 279 OG SER A 18 3.062 -15.892 -12.834 1.00 0.00 O ATOM 0 H SER A 18 1.334 -13.604 -12.138 1.00 0.00 H new ATOM 0 HA SER A 18 1.076 -14.346 -14.953 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.271 -15.062 -14.716 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.199 -13.908 -13.399 1.00 0.00 H new ATOM 0 HG SER A 18 2.580 -15.721 -11.998 1.00 0.00 H new ATOM 285 N ALA A 19 -0.099 -16.296 -12.724 1.00 0.00 N ATOM 286 CA ALA A 19 -0.767 -17.611 -12.511 1.00 0.00 C ATOM 287 C ALA A 19 -2.281 -17.407 -12.433 1.00 0.00 C ATOM 288 O ALA A 19 -3.030 -18.345 -12.263 1.00 0.00 O ATOM 289 CB ALA A 19 -0.275 -18.230 -11.201 1.00 0.00 C ATOM 0 H ALA A 19 -0.259 -15.604 -11.992 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.528 -18.275 -13.341 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.764 -19.192 -11.047 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.804 -18.376 -11.250 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.514 -17.564 -10.372 1.00 0.00 H new ATOM 295 N ARG A 20 -2.736 -16.190 -12.547 1.00 0.00 N ATOM 296 CA ARG A 20 -4.203 -15.934 -12.470 1.00 0.00 C ATOM 297 C ARG A 20 -4.919 -16.666 -13.604 1.00 0.00 C ATOM 298 O ARG A 20 -6.029 -17.135 -13.445 1.00 0.00 O ATOM 299 CB ARG A 20 -4.463 -14.432 -12.585 1.00 0.00 C ATOM 300 CG ARG A 20 -5.764 -14.082 -11.862 1.00 0.00 C ATOM 301 CD ARG A 20 -6.445 -12.914 -12.575 1.00 0.00 C ATOM 302 NE ARG A 20 -6.616 -13.247 -14.016 1.00 0.00 N ATOM 303 CZ ARG A 20 -6.993 -12.325 -14.857 1.00 0.00 C ATOM 304 NH1 ARG A 20 -8.114 -11.686 -14.663 1.00 0.00 N ATOM 305 NH2 ARG A 20 -6.250 -12.041 -15.891 1.00 0.00 N ATOM 0 H ARG A 20 -2.157 -15.362 -12.690 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.582 -16.298 -11.515 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.633 -13.874 -12.152 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.528 -14.143 -13.634 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.427 -14.947 -11.844 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.557 -13.818 -10.825 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.414 -12.711 -12.120 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.847 -12.009 -12.468 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.438 -14.196 -14.345 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.694 -11.908 -13.854 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.410 -10.964 -15.320 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.374 -12.540 -16.042 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.546 -11.320 -16.549 1.00 0.00 H new ATOM 319 N GLU A 21 -4.303 -16.770 -14.746 1.00 0.00 N ATOM 320 CA GLU A 21 -4.964 -17.476 -15.877 1.00 0.00 C ATOM 321 C GLU A 21 -4.914 -18.980 -15.626 1.00 0.00 C ATOM 322 O GLU A 21 -5.922 -19.657 -15.636 1.00 0.00 O ATOM 323 CB GLU A 21 -4.239 -17.147 -17.184 1.00 0.00 C ATOM 324 CG GLU A 21 -5.016 -16.068 -17.943 1.00 0.00 C ATOM 325 CD GLU A 21 -5.360 -16.577 -19.343 1.00 0.00 C ATOM 326 OE1 GLU A 21 -4.736 -17.532 -19.775 1.00 0.00 O ATOM 327 OE2 GLU A 21 -6.242 -16.003 -19.962 1.00 0.00 O ATOM 0 H GLU A 21 -3.374 -16.399 -14.946 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.002 -17.152 -15.954 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.227 -16.801 -16.973 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.148 -18.044 -17.797 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.928 -15.814 -17.403 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.421 -15.157 -18.012 1.00 0.00 H new ATOM 334 N SER A 22 -3.748 -19.505 -15.391 1.00 0.00 N ATOM 335 CA SER A 22 -3.630 -20.965 -15.128 1.00 0.00 C ATOM 336 C SER A 22 -4.258 -21.284 -13.770 1.00 0.00 C ATOM 337 O SER A 22 -4.415 -22.431 -13.402 1.00 0.00 O ATOM 338 CB SER A 22 -2.155 -21.366 -15.121 1.00 0.00 C ATOM 339 OG SER A 22 -1.939 -22.382 -16.092 1.00 0.00 O ATOM 0 H SER A 22 -2.870 -18.987 -15.369 1.00 0.00 H new ATOM 0 HA SER A 22 -4.148 -21.522 -15.909 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.530 -20.500 -15.339 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.869 -21.725 -14.132 1.00 0.00 H new ATOM 0 HG SER A 22 -0.994 -22.640 -16.091 1.00 0.00 H new ATOM 345 N ILE A 23 -4.623 -20.277 -13.022 1.00 0.00 N ATOM 346 CA ILE A 23 -5.248 -20.528 -11.695 1.00 0.00 C ATOM 347 C ILE A 23 -6.760 -20.654 -11.877 1.00 0.00 C ATOM 348 O ILE A 23 -7.385 -21.557 -11.357 1.00 0.00 O ATOM 349 CB ILE A 23 -4.932 -19.356 -10.752 1.00 0.00 C ATOM 350 CG1 ILE A 23 -3.572 -19.592 -10.091 1.00 0.00 C ATOM 351 CG2 ILE A 23 -6.003 -19.240 -9.661 1.00 0.00 C ATOM 352 CD1 ILE A 23 -3.111 -18.302 -9.409 1.00 0.00 C ATOM 0 H ILE A 23 -4.515 -19.294 -13.273 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.853 -21.448 -11.264 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.915 -18.434 -11.333 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.645 -20.397 -9.360 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.841 -19.904 -10.837 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.763 -18.405 -9.003 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.976 -19.070 -10.123 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.033 -20.162 -9.081 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.142 -18.466 -8.937 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.023 -17.509 -10.152 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.839 -18.011 -8.652 1.00 0.00 H new ATOM 364 N LYS A 24 -7.356 -19.748 -12.602 1.00 0.00 N ATOM 365 CA LYS A 24 -8.819 -19.807 -12.802 1.00 0.00 C ATOM 366 C LYS A 24 -9.174 -21.014 -13.677 1.00 0.00 C ATOM 367 O LYS A 24 -10.294 -21.485 -13.675 1.00 0.00 O ATOM 368 CB LYS A 24 -9.261 -18.521 -13.489 1.00 0.00 C ATOM 369 CG LYS A 24 -9.450 -17.423 -12.442 1.00 0.00 C ATOM 370 CD LYS A 24 -9.700 -16.086 -13.144 1.00 0.00 C ATOM 371 CE LYS A 24 -10.819 -16.254 -14.173 1.00 0.00 C ATOM 372 NZ LYS A 24 -11.725 -15.071 -14.119 1.00 0.00 N ATOM 0 H LYS A 24 -6.886 -18.969 -13.063 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.326 -19.911 -11.843 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.516 -18.214 -14.223 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.193 -18.687 -14.030 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.290 -17.667 -11.791 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.566 -17.354 -11.809 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.974 -15.325 -12.414 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.788 -15.744 -13.634 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.396 -16.356 -15.172 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.381 -17.166 -13.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.486 -15.185 -14.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.138 -14.993 -13.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.184 -14.209 -14.333 1.00 0.00 H new ATOM 386 N ARG A 25 -8.229 -21.516 -14.429 1.00 0.00 N ATOM 387 CA ARG A 25 -8.519 -22.687 -15.303 1.00 0.00 C ATOM 388 C ARG A 25 -8.243 -23.984 -14.536 1.00 0.00 C ATOM 389 O ARG A 25 -9.124 -24.797 -14.337 1.00 0.00 O ATOM 390 CB ARG A 25 -7.627 -22.633 -16.545 1.00 0.00 C ATOM 391 CG ARG A 25 -7.924 -21.355 -17.334 1.00 0.00 C ATOM 392 CD ARG A 25 -7.644 -21.581 -18.814 1.00 0.00 C ATOM 393 NE ARG A 25 -8.181 -22.906 -19.236 1.00 0.00 N ATOM 394 CZ ARG A 25 -7.612 -23.559 -20.213 1.00 0.00 C ATOM 395 NH1 ARG A 25 -6.558 -24.293 -19.981 1.00 0.00 N ATOM 396 NH2 ARG A 25 -8.098 -23.480 -21.421 1.00 0.00 N ATOM 0 H ARG A 25 -7.272 -21.166 -14.474 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.566 -22.659 -15.604 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.577 -22.657 -16.253 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.803 -23.508 -17.170 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.965 -21.064 -17.192 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.310 -20.536 -16.960 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.103 -20.788 -19.405 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.571 -21.538 -19.001 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.992 -23.302 -18.762 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.179 -24.357 -19.036 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.114 -24.803 -20.744 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.923 -22.908 -21.603 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.653 -23.990 -22.184 1.00 0.00 H new ATOM 410 N GLU A 26 -7.027 -24.183 -14.106 1.00 0.00 N ATOM 411 CA GLU A 26 -6.695 -25.428 -13.357 1.00 0.00 C ATOM 412 C GLU A 26 -7.739 -25.668 -12.263 1.00 0.00 C ATOM 413 O GLU A 26 -8.047 -26.792 -11.923 1.00 0.00 O ATOM 414 CB GLU A 26 -5.314 -25.284 -12.712 1.00 0.00 C ATOM 415 CG GLU A 26 -4.237 -25.745 -13.697 1.00 0.00 C ATOM 416 CD GLU A 26 -3.573 -27.019 -13.169 1.00 0.00 C ATOM 417 OE1 GLU A 26 -4.190 -28.066 -13.263 1.00 0.00 O ATOM 418 OE2 GLU A 26 -2.460 -26.924 -12.680 1.00 0.00 O ATOM 0 H GLU A 26 -6.249 -23.537 -14.241 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.692 -26.271 -14.048 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.141 -24.246 -12.428 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.264 -25.877 -11.799 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.680 -25.932 -14.675 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.491 -24.961 -13.829 1.00 0.00 H new ATOM 425 N ASN A 27 -8.281 -24.619 -11.706 1.00 0.00 N ATOM 426 CA ASN A 27 -9.297 -24.788 -10.631 1.00 0.00 C ATOM 427 C ASN A 27 -10.699 -24.799 -11.233 1.00 0.00 C ATOM 428 O ASN A 27 -10.921 -24.287 -12.311 1.00 0.00 O ATOM 429 CB ASN A 27 -9.196 -23.619 -9.644 1.00 0.00 C ATOM 430 CG ASN A 27 -7.731 -23.367 -9.294 1.00 0.00 C ATOM 431 OD1 ASN A 27 -6.889 -24.220 -9.498 1.00 0.00 O ATOM 432 ND2 ASN A 27 -7.389 -22.225 -8.768 1.00 0.00 N ATOM 0 H ASN A 27 -8.063 -23.653 -11.950 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.112 -25.731 -10.117 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.635 -22.722 -10.081 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.763 -23.843 -8.740 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.414 -22.046 -8.527 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.096 -21.510 -8.597 1.00 0.00 H new ATOM 439 N PRO A 28 -11.610 -25.359 -10.485 1.00 0.00 N ATOM 440 CA PRO A 28 -13.023 -25.431 -10.872 1.00 0.00 C ATOM 441 C PRO A 28 -13.631 -24.043 -10.718 1.00 0.00 C ATOM 442 O PRO A 28 -12.961 -23.047 -10.910 1.00 0.00 O ATOM 443 CB PRO A 28 -13.616 -26.435 -9.884 1.00 0.00 C ATOM 444 CG PRO A 28 -12.671 -26.469 -8.684 1.00 0.00 C ATOM 445 CD PRO A 28 -11.310 -25.968 -9.175 1.00 0.00 C ATOM 0 HA PRO A 28 -13.202 -25.740 -11.902 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -14.619 -26.135 -9.580 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.703 -27.422 -10.338 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -13.047 -25.838 -7.878 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.589 -27.480 -8.285 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.879 -25.242 -8.486 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.593 -26.784 -9.268 1.00 0.00 H new ATOM 453 N GLY A 29 -14.867 -23.947 -10.333 1.00 0.00 N ATOM 454 CA GLY A 29 -15.459 -22.599 -10.117 1.00 0.00 C ATOM 455 C GLY A 29 -15.059 -22.139 -8.708 1.00 0.00 C ATOM 456 O GLY A 29 -15.831 -21.522 -8.001 1.00 0.00 O ATOM 0 H GLY A 29 -15.491 -24.735 -10.159 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -15.096 -21.896 -10.867 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.544 -22.637 -10.214 1.00 0.00 H new ATOM 460 N ILE A 30 -13.855 -22.465 -8.295 1.00 0.00 N ATOM 461 CA ILE A 30 -13.374 -22.097 -6.948 1.00 0.00 C ATOM 462 C ILE A 30 -13.878 -20.710 -6.551 1.00 0.00 C ATOM 463 O ILE A 30 -14.102 -19.856 -7.385 1.00 0.00 O ATOM 464 CB ILE A 30 -11.855 -22.111 -6.960 1.00 0.00 C ATOM 465 CG1 ILE A 30 -11.319 -21.775 -5.566 1.00 0.00 C ATOM 466 CG2 ILE A 30 -11.380 -21.076 -7.957 1.00 0.00 C ATOM 467 CD1 ILE A 30 -9.818 -22.059 -5.517 1.00 0.00 C ATOM 0 H ILE A 30 -13.180 -22.983 -8.858 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.754 -22.813 -6.220 1.00 0.00 H new ATOM 0 HB ILE A 30 -11.491 -23.099 -7.241 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -11.510 -20.727 -5.334 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.837 -22.368 -4.812 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.290 -21.068 -7.982 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.764 -21.321 -8.947 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.743 -20.092 -7.661 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.435 -21.820 -4.525 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.640 -23.113 -5.731 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.307 -21.447 -6.260 1.00 0.00 H new ATOM 479 N LYS A 31 -14.049 -20.479 -5.279 1.00 0.00 N ATOM 480 CA LYS A 31 -14.527 -19.152 -4.818 1.00 0.00 C ATOM 481 C LYS A 31 -13.412 -18.122 -5.006 1.00 0.00 C ATOM 482 O LYS A 31 -12.317 -18.449 -5.418 1.00 0.00 O ATOM 483 CB LYS A 31 -14.892 -19.238 -3.339 1.00 0.00 C ATOM 484 CG LYS A 31 -15.771 -20.466 -3.090 1.00 0.00 C ATOM 485 CD LYS A 31 -17.118 -20.281 -3.788 1.00 0.00 C ATOM 486 CE LYS A 31 -18.220 -20.938 -2.955 1.00 0.00 C ATOM 487 NZ LYS A 31 -19.423 -20.058 -2.937 1.00 0.00 N ATOM 0 H LYS A 31 -13.876 -21.158 -4.538 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.402 -18.853 -5.395 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.987 -19.299 -2.735 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -15.419 -18.334 -3.032 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -15.276 -21.362 -3.464 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -15.921 -20.608 -2.020 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -17.330 -19.220 -3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -17.087 -20.724 -4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.475 -21.912 -3.374 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -17.868 -21.111 -1.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -20.172 -20.505 -2.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -19.175 -19.139 -2.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.763 -19.915 -3.909 1.00 0.00 H new ATOM 501 N VAL A 32 -13.677 -16.881 -4.705 1.00 0.00 N ATOM 502 CA VAL A 32 -12.638 -15.844 -4.861 1.00 0.00 C ATOM 503 C VAL A 32 -11.721 -15.870 -3.633 1.00 0.00 C ATOM 504 O VAL A 32 -10.572 -15.477 -3.694 1.00 0.00 O ATOM 505 CB VAL A 32 -13.311 -14.483 -5.000 1.00 0.00 C ATOM 506 CG1 VAL A 32 -14.506 -14.423 -4.069 1.00 0.00 C ATOM 507 CG2 VAL A 32 -12.335 -13.386 -4.619 1.00 0.00 C ATOM 0 H VAL A 32 -14.575 -16.546 -4.356 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.040 -16.033 -5.753 1.00 0.00 H new ATOM 0 HB VAL A 32 -13.631 -14.343 -6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -14.992 -13.452 -4.163 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -15.213 -15.210 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -14.173 -14.564 -3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -12.821 -12.416 -4.720 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.015 -13.526 -3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.467 -13.427 -5.276 1.00 0.00 H new ATOM 517 N THR A 33 -12.223 -16.333 -2.520 1.00 0.00 N ATOM 518 CA THR A 33 -11.386 -16.388 -1.289 1.00 0.00 C ATOM 519 C THR A 33 -10.489 -17.627 -1.330 1.00 0.00 C ATOM 520 O THR A 33 -9.696 -17.859 -0.439 1.00 0.00 O ATOM 521 CB THR A 33 -12.294 -16.457 -0.059 1.00 0.00 C ATOM 522 OG1 THR A 33 -13.344 -15.508 -0.193 1.00 0.00 O ATOM 523 CG2 THR A 33 -11.480 -16.146 1.198 1.00 0.00 C ATOM 0 H THR A 33 -13.178 -16.676 -2.411 1.00 0.00 H new ATOM 0 HA THR A 33 -10.764 -15.494 -1.235 1.00 0.00 H new ATOM 0 HB THR A 33 -12.717 -17.458 0.024 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.927 -15.552 0.593 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.128 -16.196 2.073 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.676 -16.875 1.300 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.055 -15.146 1.118 1.00 0.00 H new ATOM 531 N GLU A 34 -10.603 -18.425 -2.357 1.00 0.00 N ATOM 532 CA GLU A 34 -9.753 -19.645 -2.448 1.00 0.00 C ATOM 533 C GLU A 34 -8.886 -19.569 -3.706 1.00 0.00 C ATOM 534 O GLU A 34 -7.878 -20.240 -3.818 1.00 0.00 O ATOM 535 CB GLU A 34 -10.644 -20.887 -2.515 1.00 0.00 C ATOM 536 CG GLU A 34 -11.320 -21.103 -1.160 1.00 0.00 C ATOM 537 CD GLU A 34 -10.574 -22.190 -0.382 1.00 0.00 C ATOM 538 OE1 GLU A 34 -9.914 -22.997 -1.015 1.00 0.00 O ATOM 539 OE2 GLU A 34 -10.674 -22.195 0.834 1.00 0.00 O ATOM 0 H GLU A 34 -11.247 -18.285 -3.135 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.112 -19.707 -1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.397 -20.766 -3.294 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.049 -21.761 -2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.324 -20.173 -0.592 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.361 -21.394 -1.304 1.00 0.00 H new ATOM 546 N VAL A 35 -9.264 -18.755 -4.652 1.00 0.00 N ATOM 547 CA VAL A 35 -8.460 -18.633 -5.899 1.00 0.00 C ATOM 548 C VAL A 35 -7.042 -18.187 -5.541 1.00 0.00 C ATOM 549 O VAL A 35 -6.077 -18.588 -6.163 1.00 0.00 O ATOM 550 CB VAL A 35 -9.115 -17.604 -6.818 1.00 0.00 C ATOM 551 CG1 VAL A 35 -8.123 -17.156 -7.895 1.00 0.00 C ATOM 552 CG2 VAL A 35 -10.342 -18.229 -7.485 1.00 0.00 C ATOM 0 H VAL A 35 -10.097 -18.168 -4.615 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.415 -19.594 -6.410 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.416 -16.738 -6.229 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.599 -16.422 -8.546 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.249 -16.708 -7.421 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.814 -18.018 -8.486 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.812 -17.497 -8.142 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.036 -19.097 -8.069 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.054 -18.539 -6.720 1.00 0.00 H new ATOM 562 N ALA A 36 -6.909 -17.363 -4.542 1.00 0.00 N ATOM 563 CA ALA A 36 -5.557 -16.890 -4.139 1.00 0.00 C ATOM 564 C ALA A 36 -4.956 -17.876 -3.134 1.00 0.00 C ATOM 565 O ALA A 36 -3.754 -17.991 -3.005 1.00 0.00 O ATOM 566 CB ALA A 36 -5.673 -15.509 -3.492 1.00 0.00 C ATOM 0 H ALA A 36 -7.680 -16.995 -3.985 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.914 -16.826 -5.017 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.683 -15.161 -3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.106 -14.808 -4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.313 -15.572 -2.612 1.00 0.00 H new ATOM 572 N LYS A 37 -5.786 -18.590 -2.423 1.00 0.00 N ATOM 573 CA LYS A 37 -5.269 -19.567 -1.431 1.00 0.00 C ATOM 574 C LYS A 37 -4.482 -20.660 -2.156 1.00 0.00 C ATOM 575 O LYS A 37 -3.316 -20.881 -1.894 1.00 0.00 O ATOM 576 CB LYS A 37 -6.452 -20.163 -0.675 1.00 0.00 C ATOM 577 CG LYS A 37 -6.101 -21.550 -0.125 1.00 0.00 C ATOM 578 CD LYS A 37 -4.787 -21.471 0.653 1.00 0.00 C ATOM 579 CE LYS A 37 -4.775 -22.541 1.748 1.00 0.00 C ATOM 580 NZ LYS A 37 -3.866 -23.651 1.349 1.00 0.00 N ATOM 0 H LYS A 37 -6.802 -18.536 -2.489 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.601 -19.076 -0.723 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.736 -19.503 0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.314 -20.237 -1.338 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.900 -21.909 0.524 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.010 -22.265 -0.943 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.944 -21.617 -0.022 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.673 -20.481 1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.444 -22.107 2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.783 -22.923 1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.858 -24.378 2.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.201 -24.071 0.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.903 -23.281 1.217 1.00 0.00 H new ATOM 594 N ARG A 38 -5.113 -21.343 -3.066 1.00 0.00 N ATOM 595 CA ARG A 38 -4.411 -22.421 -3.816 1.00 0.00 C ATOM 596 C ARG A 38 -3.288 -21.809 -4.654 1.00 0.00 C ATOM 597 O ARG A 38 -2.380 -22.491 -5.079 1.00 0.00 O ATOM 598 CB ARG A 38 -5.407 -23.128 -4.737 1.00 0.00 C ATOM 599 CG ARG A 38 -5.633 -24.560 -4.247 1.00 0.00 C ATOM 600 CD ARG A 38 -5.911 -24.551 -2.744 1.00 0.00 C ATOM 601 NE ARG A 38 -6.704 -25.758 -2.379 1.00 0.00 N ATOM 602 CZ ARG A 38 -7.977 -25.647 -2.112 1.00 0.00 C ATOM 603 NH1 ARG A 38 -8.704 -24.772 -2.753 1.00 0.00 N ATOM 604 NH2 ARG A 38 -8.523 -26.410 -1.206 1.00 0.00 N ATOM 0 H ARG A 38 -6.089 -21.201 -3.325 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.989 -23.140 -3.114 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.352 -22.585 -4.752 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.028 -23.138 -5.759 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.472 -25.009 -4.779 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.756 -25.171 -4.461 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.973 -24.538 -2.190 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.456 -23.648 -2.469 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.252 -26.672 -2.338 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.277 -24.176 -3.462 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.699 -24.685 -2.545 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.955 -27.094 -0.706 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.518 -26.323 -0.998 1.00 0.00 H new ATOM 618 N GLY A 39 -3.341 -20.529 -4.891 1.00 0.00 N ATOM 619 CA GLY A 39 -2.273 -19.879 -5.703 1.00 0.00 C ATOM 620 C GLY A 39 -0.975 -19.840 -4.895 1.00 0.00 C ATOM 621 O GLY A 39 0.110 -19.895 -5.441 1.00 0.00 O ATOM 0 H GLY A 39 -4.076 -19.905 -4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.120 -20.430 -6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.574 -18.868 -5.978 1.00 0.00 H new ATOM 625 N GLY A 40 -1.076 -19.744 -3.597 1.00 0.00 N ATOM 626 CA GLY A 40 0.153 -19.701 -2.755 1.00 0.00 C ATOM 627 C GLY A 40 0.883 -21.042 -2.844 1.00 0.00 C ATOM 628 O GLY A 40 2.034 -21.158 -2.474 1.00 0.00 O ATOM 0 H GLY A 40 -1.956 -19.694 -3.084 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.807 -18.896 -3.090 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.111 -19.487 -1.719 1.00 0.00 H new ATOM 632 N GLU A 41 0.223 -22.058 -3.331 1.00 0.00 N ATOM 633 CA GLU A 41 0.885 -23.388 -3.440 1.00 0.00 C ATOM 634 C GLU A 41 2.018 -23.319 -4.470 1.00 0.00 C ATOM 635 O GLU A 41 3.099 -23.826 -4.251 1.00 0.00 O ATOM 636 CB GLU A 41 -0.146 -24.444 -3.855 1.00 0.00 C ATOM 637 CG GLU A 41 -0.311 -24.466 -5.379 1.00 0.00 C ATOM 638 CD GLU A 41 -1.284 -25.579 -5.773 1.00 0.00 C ATOM 639 OE1 GLU A 41 -2.475 -25.314 -5.808 1.00 0.00 O ATOM 640 OE2 GLU A 41 -0.822 -26.678 -6.035 1.00 0.00 O ATOM 0 H GLU A 41 -0.743 -22.024 -3.657 1.00 0.00 H new ATOM 0 HA GLU A 41 1.305 -23.665 -2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.170 -25.426 -3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.105 -24.230 -3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.683 -23.503 -5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.655 -24.627 -5.857 1.00 0.00 H new ATOM 647 N LEU A 42 1.772 -22.700 -5.593 1.00 0.00 N ATOM 648 CA LEU A 42 2.825 -22.601 -6.639 1.00 0.00 C ATOM 649 C LEU A 42 3.791 -21.466 -6.291 1.00 0.00 C ATOM 650 O LEU A 42 4.947 -21.486 -6.663 1.00 0.00 O ATOM 651 CB LEU A 42 2.164 -22.306 -7.986 1.00 0.00 C ATOM 652 CG LEU A 42 1.648 -23.607 -8.600 1.00 0.00 C ATOM 653 CD1 LEU A 42 0.762 -23.285 -9.804 1.00 0.00 C ATOM 654 CD2 LEU A 42 2.833 -24.461 -9.053 1.00 0.00 C ATOM 0 H LEU A 42 0.884 -22.258 -5.830 1.00 0.00 H new ATOM 0 HA LEU A 42 3.376 -23.540 -6.693 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.341 -21.604 -7.853 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.880 -21.834 -8.658 1.00 0.00 H new ATOM 0 HG LEU A 42 1.068 -24.155 -7.858 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.393 -24.212 -10.243 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.082 -22.675 -9.482 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.342 -22.738 -10.547 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.466 -25.389 -9.491 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.413 -23.914 -9.796 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.466 -24.690 -8.195 1.00 0.00 H new ATOM 666 N TRP A 43 3.324 -20.476 -5.583 1.00 0.00 N ATOM 667 CA TRP A 43 4.209 -19.336 -5.215 1.00 0.00 C ATOM 668 C TRP A 43 5.445 -19.857 -4.476 1.00 0.00 C ATOM 669 O TRP A 43 6.567 -19.624 -4.882 1.00 0.00 O ATOM 670 CB TRP A 43 3.439 -18.371 -4.309 1.00 0.00 C ATOM 671 CG TRP A 43 4.385 -17.388 -3.696 1.00 0.00 C ATOM 672 CD1 TRP A 43 4.856 -17.450 -2.430 1.00 0.00 C ATOM 673 CD2 TRP A 43 4.982 -16.202 -4.296 1.00 0.00 C ATOM 674 NE1 TRP A 43 5.703 -16.379 -2.213 1.00 0.00 N ATOM 675 CE2 TRP A 43 5.813 -15.580 -3.335 1.00 0.00 C ATOM 676 CE3 TRP A 43 4.883 -15.611 -5.568 1.00 0.00 C ATOM 677 CZ2 TRP A 43 6.523 -14.414 -3.625 1.00 0.00 C ATOM 678 CZ3 TRP A 43 5.595 -14.437 -5.864 1.00 0.00 C ATOM 679 CH2 TRP A 43 6.413 -13.840 -4.894 1.00 0.00 C ATOM 0 H TRP A 43 2.365 -20.407 -5.242 1.00 0.00 H new ATOM 0 HA TRP A 43 4.526 -18.816 -6.119 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.677 -17.846 -4.885 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.921 -18.927 -3.528 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.610 -18.213 -1.706 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.187 -16.201 -1.333 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.256 -16.063 -6.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.152 -13.959 -2.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.512 -13.992 -6.844 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.958 -12.937 -5.128 1.00 0.00 H new ATOM 690 N ARG A 44 5.251 -20.551 -3.389 1.00 0.00 N ATOM 691 CA ARG A 44 6.415 -21.075 -2.622 1.00 0.00 C ATOM 692 C ARG A 44 6.887 -22.399 -3.225 1.00 0.00 C ATOM 693 O ARG A 44 7.735 -23.072 -2.675 1.00 0.00 O ATOM 694 CB ARG A 44 6.008 -21.296 -1.163 1.00 0.00 C ATOM 695 CG ARG A 44 6.507 -20.128 -0.310 1.00 0.00 C ATOM 696 CD ARG A 44 7.726 -20.571 0.502 1.00 0.00 C ATOM 697 NE ARG A 44 8.421 -19.373 1.049 1.00 0.00 N ATOM 698 CZ ARG A 44 8.161 -18.964 2.261 1.00 0.00 C ATOM 699 NH1 ARG A 44 8.806 -19.473 3.274 1.00 0.00 N ATOM 700 NH2 ARG A 44 7.256 -18.045 2.460 1.00 0.00 N ATOM 0 H ARG A 44 4.336 -20.778 -2.999 1.00 0.00 H new ATOM 0 HA ARG A 44 7.228 -20.351 -2.670 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.924 -21.379 -1.086 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.427 -22.233 -0.796 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.769 -19.284 -0.948 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.716 -19.788 0.358 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.416 -21.227 1.315 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.407 -21.144 -0.128 1.00 0.00 H new ATOM 0 HE ARG A 44 9.100 -18.872 0.476 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.514 -20.191 3.119 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.603 -19.153 4.221 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.752 -17.646 1.668 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.053 -17.726 3.407 1.00 0.00 H new ATOM 714 N ALA A 45 6.343 -22.784 -4.347 1.00 0.00 N ATOM 715 CA ALA A 45 6.766 -24.069 -4.969 1.00 0.00 C ATOM 716 C ALA A 45 7.334 -23.811 -6.367 1.00 0.00 C ATOM 717 O ALA A 45 7.773 -24.721 -7.043 1.00 0.00 O ATOM 718 CB ALA A 45 5.555 -24.990 -5.079 1.00 0.00 C ATOM 0 H ALA A 45 5.627 -22.267 -4.857 1.00 0.00 H new ATOM 0 HA ALA A 45 7.535 -24.534 -4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.856 -25.934 -5.534 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.150 -25.179 -4.085 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.793 -24.516 -5.697 1.00 0.00 H new ATOM 724 N MET A 46 7.327 -22.585 -6.812 1.00 0.00 N ATOM 725 CA MET A 46 7.858 -22.281 -8.159 1.00 0.00 C ATOM 726 C MET A 46 9.390 -22.202 -8.100 1.00 0.00 C ATOM 727 O MET A 46 10.058 -23.195 -7.892 1.00 0.00 O ATOM 728 CB MET A 46 7.263 -20.956 -8.621 1.00 0.00 C ATOM 729 CG MET A 46 7.363 -19.942 -7.487 1.00 0.00 C ATOM 730 SD MET A 46 7.812 -18.322 -8.157 1.00 0.00 S ATOM 731 CE MET A 46 6.500 -17.375 -7.349 1.00 0.00 C ATOM 0 H MET A 46 6.973 -21.781 -6.294 1.00 0.00 H new ATOM 0 HA MET A 46 7.586 -23.064 -8.866 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.795 -20.591 -9.500 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.222 -21.093 -8.913 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.412 -19.877 -6.959 1.00 0.00 H new ATOM 0 HG3 MET A 46 8.109 -20.266 -6.761 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.450 -16.377 -7.785 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.545 -17.881 -7.491 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.713 -17.295 -6.283 1.00 0.00 H new ATOM 741 N LYS A 47 9.954 -21.040 -8.288 1.00 0.00 N ATOM 742 CA LYS A 47 11.429 -20.910 -8.251 1.00 0.00 C ATOM 743 C LYS A 47 11.846 -20.154 -6.987 1.00 0.00 C ATOM 744 O LYS A 47 12.135 -20.743 -5.964 1.00 0.00 O ATOM 745 CB LYS A 47 11.864 -20.127 -9.481 1.00 0.00 C ATOM 746 CG LYS A 47 12.312 -21.096 -10.578 1.00 0.00 C ATOM 747 CD LYS A 47 11.087 -21.619 -11.330 1.00 0.00 C ATOM 748 CE LYS A 47 10.975 -23.133 -11.135 1.00 0.00 C ATOM 749 NZ LYS A 47 11.337 -23.825 -12.403 1.00 0.00 N ATOM 0 H LYS A 47 9.448 -20.172 -8.466 1.00 0.00 H new ATOM 0 HA LYS A 47 11.897 -21.894 -8.243 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.041 -19.510 -9.841 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.680 -19.451 -9.224 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.988 -20.592 -11.269 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.865 -21.927 -10.140 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.186 -21.127 -10.965 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.171 -21.384 -12.391 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.635 -23.457 -10.330 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.960 -23.398 -10.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.261 -24.854 -12.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.690 -23.524 -13.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.313 -23.581 -12.665 1.00 0.00 H new ATOM 763 N ASP A 48 11.878 -18.850 -7.050 1.00 0.00 N ATOM 764 CA ASP A 48 12.276 -18.050 -5.857 1.00 0.00 C ATOM 765 C ASP A 48 11.286 -16.896 -5.665 1.00 0.00 C ATOM 766 O ASP A 48 10.355 -16.734 -6.427 1.00 0.00 O ATOM 767 CB ASP A 48 13.683 -17.487 -6.066 1.00 0.00 C ATOM 768 CG ASP A 48 14.719 -18.543 -5.675 1.00 0.00 C ATOM 769 OD1 ASP A 48 15.094 -19.323 -6.534 1.00 0.00 O ATOM 770 OD2 ASP A 48 15.120 -18.553 -4.522 1.00 0.00 O ATOM 0 H ASP A 48 11.645 -18.303 -7.879 1.00 0.00 H new ATOM 0 HA ASP A 48 12.269 -18.687 -4.972 1.00 0.00 H new ATOM 0 HB2 ASP A 48 13.819 -17.197 -7.108 1.00 0.00 H new ATOM 0 HB3 ASP A 48 13.820 -16.588 -5.465 1.00 0.00 H new ATOM 775 N LYS A 49 11.482 -16.094 -4.654 1.00 0.00 N ATOM 776 CA LYS A 49 10.551 -14.953 -4.417 1.00 0.00 C ATOM 777 C LYS A 49 11.304 -13.635 -4.610 1.00 0.00 C ATOM 778 O LYS A 49 10.707 -12.590 -4.786 1.00 0.00 O ATOM 779 CB LYS A 49 10.002 -15.024 -2.990 1.00 0.00 C ATOM 780 CG LYS A 49 9.317 -16.375 -2.773 1.00 0.00 C ATOM 781 CD LYS A 49 10.101 -17.187 -1.739 1.00 0.00 C ATOM 782 CE LYS A 49 10.092 -16.453 -0.397 1.00 0.00 C ATOM 783 NZ LYS A 49 8.685 -16.222 0.033 1.00 0.00 N ATOM 0 H LYS A 49 12.245 -16.179 -3.983 1.00 0.00 H new ATOM 0 HA LYS A 49 9.723 -15.008 -5.124 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.811 -14.895 -2.271 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.293 -14.214 -2.821 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.293 -16.224 -2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.262 -16.922 -3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.658 -18.177 -1.627 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.126 -17.333 -2.078 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.621 -17.039 0.354 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.617 -15.502 -0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.662 -16.027 1.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.293 -15.409 -0.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.116 -17.068 -0.171 1.00 0.00 H new ATOM 797 N SER A 50 12.608 -13.673 -4.586 1.00 0.00 N ATOM 798 CA SER A 50 13.390 -12.419 -4.775 1.00 0.00 C ATOM 799 C SER A 50 13.119 -11.868 -6.175 1.00 0.00 C ATOM 800 O SER A 50 13.438 -10.735 -6.482 1.00 0.00 O ATOM 801 CB SER A 50 14.884 -12.713 -4.619 1.00 0.00 C ATOM 802 OG SER A 50 15.467 -11.735 -3.768 1.00 0.00 O ATOM 0 H SER A 50 13.164 -14.516 -4.444 1.00 0.00 H new ATOM 0 HA SER A 50 13.091 -11.685 -4.026 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.029 -13.709 -4.201 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.373 -12.702 -5.593 1.00 0.00 H new ATOM 0 HG SER A 50 16.424 -11.920 -3.664 1.00 0.00 H new ATOM 808 N GLU A 51 12.517 -12.657 -7.025 1.00 0.00 N ATOM 809 CA GLU A 51 12.210 -12.186 -8.397 1.00 0.00 C ATOM 810 C GLU A 51 11.135 -11.107 -8.322 1.00 0.00 C ATOM 811 O GLU A 51 11.396 -9.933 -8.518 1.00 0.00 O ATOM 812 CB GLU A 51 11.709 -13.351 -9.219 1.00 0.00 C ATOM 813 CG GLU A 51 12.518 -14.607 -8.884 1.00 0.00 C ATOM 814 CD GLU A 51 12.654 -15.474 -10.137 1.00 0.00 C ATOM 815 OE1 GLU A 51 12.903 -14.918 -11.194 1.00 0.00 O ATOM 816 OE2 GLU A 51 12.506 -16.679 -10.018 1.00 0.00 O ATOM 0 H GLU A 51 12.225 -13.613 -6.822 1.00 0.00 H new ATOM 0 HA GLU A 51 13.106 -11.775 -8.862 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.652 -13.523 -9.016 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.797 -13.123 -10.281 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.504 -14.329 -8.512 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.025 -15.170 -8.091 1.00 0.00 H new ATOM 823 N TRP A 52 9.931 -11.492 -8.015 1.00 0.00 N ATOM 824 CA TRP A 52 8.846 -10.490 -7.903 1.00 0.00 C ATOM 825 C TRP A 52 9.229 -9.495 -6.828 1.00 0.00 C ATOM 826 O TRP A 52 9.204 -8.310 -7.042 1.00 0.00 O ATOM 827 CB TRP A 52 7.563 -11.180 -7.480 1.00 0.00 C ATOM 828 CG TRP A 52 7.278 -12.300 -8.389 1.00 0.00 C ATOM 829 CD1 TRP A 52 7.553 -13.566 -8.109 1.00 0.00 C ATOM 830 CD2 TRP A 52 6.658 -12.279 -9.693 1.00 0.00 C ATOM 831 NE1 TRP A 52 7.136 -14.360 -9.161 1.00 0.00 N ATOM 832 CE2 TRP A 52 6.572 -13.602 -10.170 1.00 0.00 C ATOM 833 CE3 TRP A 52 6.165 -11.246 -10.494 1.00 0.00 C ATOM 834 CZ2 TRP A 52 6.008 -13.893 -11.414 1.00 0.00 C ATOM 835 CZ3 TRP A 52 5.598 -11.524 -11.738 1.00 0.00 C ATOM 836 CH2 TRP A 52 5.514 -12.848 -12.202 1.00 0.00 C ATOM 0 H TRP A 52 9.654 -12.457 -7.837 1.00 0.00 H new ATOM 0 HA TRP A 52 8.699 -9.992 -8.862 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.655 -11.544 -6.457 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.736 -10.470 -7.492 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.026 -13.920 -7.205 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.232 -15.375 -9.189 1.00 0.00 H new ATOM 0 HE3 TRP A 52 6.223 -10.225 -10.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.954 -14.913 -11.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 5.221 -10.717 -12.348 1.00 0.00 H new ATOM 0 HH2 TRP A 52 5.070 -13.058 -13.164 1.00 0.00 H new ATOM 847 N GLU A 53 9.569 -9.988 -5.668 1.00 0.00 N ATOM 848 CA GLU A 53 9.953 -9.087 -4.537 1.00 0.00 C ATOM 849 C GLU A 53 10.678 -7.844 -5.064 1.00 0.00 C ATOM 850 O GLU A 53 10.183 -6.738 -4.959 1.00 0.00 O ATOM 851 CB GLU A 53 10.873 -9.841 -3.576 1.00 0.00 C ATOM 852 CG GLU A 53 10.033 -10.576 -2.530 1.00 0.00 C ATOM 853 CD GLU A 53 10.861 -10.777 -1.260 1.00 0.00 C ATOM 854 OE1 GLU A 53 10.885 -9.872 -0.442 1.00 0.00 O ATOM 855 OE2 GLU A 53 11.458 -11.833 -1.125 1.00 0.00 O ATOM 0 H GLU A 53 9.598 -10.984 -5.451 1.00 0.00 H new ATOM 0 HA GLU A 53 9.049 -8.773 -4.016 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.488 -10.552 -4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.553 -9.144 -3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.133 -10.004 -2.303 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.708 -11.540 -2.921 1.00 0.00 H new ATOM 862 N ALA A 54 11.842 -8.006 -5.632 1.00 0.00 N ATOM 863 CA ALA A 54 12.579 -6.822 -6.159 1.00 0.00 C ATOM 864 C ALA A 54 11.661 -6.031 -7.092 1.00 0.00 C ATOM 865 O ALA A 54 11.626 -4.817 -7.064 1.00 0.00 O ATOM 866 CB ALA A 54 13.814 -7.288 -6.934 1.00 0.00 C ATOM 0 H ALA A 54 12.313 -8.903 -5.754 1.00 0.00 H new ATOM 0 HA ALA A 54 12.892 -6.189 -5.329 1.00 0.00 H new ATOM 0 HB1 ALA A 54 14.351 -6.421 -7.318 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.467 -7.855 -6.271 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.504 -7.921 -7.766 1.00 0.00 H new ATOM 872 N LYS A 55 10.921 -6.711 -7.919 1.00 0.00 N ATOM 873 CA LYS A 55 10.005 -6.004 -8.861 1.00 0.00 C ATOM 874 C LYS A 55 9.039 -5.101 -8.086 1.00 0.00 C ATOM 875 O LYS A 55 8.767 -3.986 -8.485 1.00 0.00 O ATOM 876 CB LYS A 55 9.206 -7.030 -9.662 1.00 0.00 C ATOM 877 CG LYS A 55 9.061 -6.545 -11.105 1.00 0.00 C ATOM 878 CD LYS A 55 7.752 -7.070 -11.692 1.00 0.00 C ATOM 879 CE LYS A 55 7.395 -6.263 -12.942 1.00 0.00 C ATOM 880 NZ LYS A 55 8.573 -6.212 -13.854 1.00 0.00 N ATOM 0 H LYS A 55 10.909 -7.729 -7.986 1.00 0.00 H new ATOM 0 HA LYS A 55 10.600 -5.390 -9.537 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.709 -7.997 -9.640 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.223 -7.172 -9.214 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.074 -5.456 -11.136 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.904 -6.892 -11.702 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.851 -8.126 -11.944 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.953 -6.992 -10.955 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.546 -6.719 -13.452 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.094 -5.253 -12.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.255 -5.993 -14.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.231 -5.474 -13.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.056 -7.133 -13.849 1.00 0.00 H new ATOM 894 N ALA A 56 8.519 -5.568 -6.984 1.00 0.00 N ATOM 895 CA ALA A 56 7.576 -4.730 -6.197 1.00 0.00 C ATOM 896 C ALA A 56 8.268 -3.409 -5.871 1.00 0.00 C ATOM 897 O ALA A 56 7.646 -2.370 -5.776 1.00 0.00 O ATOM 898 CB ALA A 56 7.208 -5.453 -4.898 1.00 0.00 C ATOM 0 H ALA A 56 8.707 -6.493 -6.596 1.00 0.00 H new ATOM 0 HA ALA A 56 6.666 -4.547 -6.769 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.517 -4.837 -4.322 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.735 -6.406 -5.134 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.110 -5.630 -4.312 1.00 0.00 H new ATOM 904 N ALA A 57 9.562 -3.450 -5.706 1.00 0.00 N ATOM 905 CA ALA A 57 10.324 -2.211 -5.395 1.00 0.00 C ATOM 906 C ALA A 57 10.253 -1.261 -6.590 1.00 0.00 C ATOM 907 O ALA A 57 10.025 -0.077 -6.445 1.00 0.00 O ATOM 908 CB ALA A 57 11.784 -2.574 -5.128 1.00 0.00 C ATOM 0 H ALA A 57 10.127 -4.297 -5.774 1.00 0.00 H new ATOM 0 HA ALA A 57 9.897 -1.728 -4.516 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.348 -1.670 -4.899 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.840 -3.260 -4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.207 -3.052 -6.011 1.00 0.00 H new ATOM 914 N LYS A 58 10.458 -1.774 -7.772 1.00 0.00 N ATOM 915 CA LYS A 58 10.410 -0.908 -8.982 1.00 0.00 C ATOM 916 C LYS A 58 9.053 -0.209 -9.062 1.00 0.00 C ATOM 917 O LYS A 58 8.972 0.957 -9.382 1.00 0.00 O ATOM 918 CB LYS A 58 10.622 -1.764 -10.234 1.00 0.00 C ATOM 919 CG LYS A 58 10.924 -0.860 -11.430 1.00 0.00 C ATOM 920 CD LYS A 58 11.117 -1.719 -12.683 1.00 0.00 C ATOM 921 CE LYS A 58 12.598 -1.742 -13.063 1.00 0.00 C ATOM 922 NZ LYS A 58 12.729 -1.831 -14.545 1.00 0.00 N ATOM 0 H LYS A 58 10.657 -2.758 -7.952 1.00 0.00 H new ATOM 0 HA LYS A 58 11.198 -0.157 -8.919 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.445 -2.461 -10.075 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.732 -2.362 -10.433 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.107 -0.155 -11.582 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.821 -0.272 -11.238 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.762 -2.733 -12.500 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.526 -1.318 -13.506 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.092 -0.842 -12.697 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.092 -2.592 -12.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.736 -1.847 -14.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.271 -2.702 -14.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.271 -1.007 -14.984 1.00 0.00 H new ATOM 936 N ALA A 59 7.985 -0.902 -8.772 1.00 0.00 N ATOM 937 CA ALA A 59 6.648 -0.245 -8.828 1.00 0.00 C ATOM 938 C ALA A 59 6.608 0.869 -7.785 1.00 0.00 C ATOM 939 O ALA A 59 5.895 1.840 -7.921 1.00 0.00 O ATOM 940 CB ALA A 59 5.547 -1.266 -8.519 1.00 0.00 C ATOM 0 H ALA A 59 7.980 -1.885 -8.501 1.00 0.00 H new ATOM 0 HA ALA A 59 6.483 0.163 -9.825 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.574 -0.776 -8.562 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.581 -2.071 -9.253 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.702 -1.678 -7.522 1.00 0.00 H new ATOM 946 N LYS A 60 7.379 0.730 -6.744 1.00 0.00 N ATOM 947 CA LYS A 60 7.413 1.759 -5.676 1.00 0.00 C ATOM 948 C LYS A 60 7.993 3.056 -6.228 1.00 0.00 C ATOM 949 O LYS A 60 7.358 4.092 -6.220 1.00 0.00 O ATOM 950 CB LYS A 60 8.321 1.250 -4.565 1.00 0.00 C ATOM 951 CG LYS A 60 7.666 1.473 -3.199 1.00 0.00 C ATOM 952 CD LYS A 60 8.598 0.953 -2.101 1.00 0.00 C ATOM 953 CE LYS A 60 8.456 1.823 -0.851 1.00 0.00 C ATOM 954 NZ LYS A 60 8.784 3.236 -1.191 1.00 0.00 N ATOM 0 H LYS A 60 7.996 -0.067 -6.588 1.00 0.00 H new ATOM 0 HA LYS A 60 6.406 1.946 -5.304 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.524 0.189 -4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.280 1.766 -4.605 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.464 2.533 -3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.707 0.956 -3.154 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.355 -0.083 -1.865 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.630 0.967 -2.450 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.440 1.757 -0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.121 1.463 -0.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.304 3.671 -0.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.373 3.259 -2.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.905 3.765 -1.360 1.00 0.00 H new ATOM 968 N ASP A 61 9.208 3.006 -6.691 1.00 0.00 N ATOM 969 CA ASP A 61 9.854 4.235 -7.232 1.00 0.00 C ATOM 970 C ASP A 61 9.077 4.747 -8.447 1.00 0.00 C ATOM 971 O ASP A 61 9.013 5.934 -8.698 1.00 0.00 O ATOM 972 CB ASP A 61 11.292 3.909 -7.640 1.00 0.00 C ATOM 973 CG ASP A 61 12.217 4.076 -6.432 1.00 0.00 C ATOM 974 OD1 ASP A 61 12.205 3.206 -5.577 1.00 0.00 O ATOM 975 OD2 ASP A 61 12.920 5.071 -6.384 1.00 0.00 O ATOM 0 H ASP A 61 9.785 2.165 -6.719 1.00 0.00 H new ATOM 0 HA ASP A 61 9.855 5.009 -6.464 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.351 2.888 -8.018 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.610 4.567 -8.448 1.00 0.00 H new ATOM 980 N ASP A 62 8.481 3.867 -9.201 1.00 0.00 N ATOM 981 CA ASP A 62 7.706 4.311 -10.394 1.00 0.00 C ATOM 982 C ASP A 62 6.333 4.803 -9.941 1.00 0.00 C ATOM 983 O ASP A 62 5.608 5.426 -10.685 1.00 0.00 O ATOM 984 CB ASP A 62 7.533 3.135 -11.356 1.00 0.00 C ATOM 985 CG ASP A 62 8.830 2.922 -12.139 1.00 0.00 C ATOM 986 OD1 ASP A 62 9.882 2.944 -11.522 1.00 0.00 O ATOM 987 OD2 ASP A 62 8.749 2.742 -13.344 1.00 0.00 O ATOM 0 H ASP A 62 8.496 2.859 -9.043 1.00 0.00 H new ATOM 0 HA ASP A 62 8.238 5.116 -10.900 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.278 2.232 -10.801 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.709 3.331 -12.042 1.00 0.00 H new ATOM 992 N TYR A 63 5.970 4.518 -8.724 1.00 0.00 N ATOM 993 CA TYR A 63 4.645 4.954 -8.212 1.00 0.00 C ATOM 994 C TYR A 63 4.729 6.393 -7.693 1.00 0.00 C ATOM 995 O TYR A 63 3.880 7.212 -7.981 1.00 0.00 O ATOM 996 CB TYR A 63 4.223 4.006 -7.095 1.00 0.00 C ATOM 997 CG TYR A 63 2.831 4.314 -6.673 1.00 0.00 C ATOM 998 CD1 TYR A 63 2.517 5.534 -6.075 1.00 0.00 C ATOM 999 CD2 TYR A 63 1.861 3.357 -6.870 1.00 0.00 C ATOM 1000 CE1 TYR A 63 1.202 5.789 -5.678 1.00 0.00 C ATOM 1001 CE2 TYR A 63 0.553 3.592 -6.477 1.00 0.00 C ATOM 1002 CZ TYR A 63 0.211 4.814 -5.880 1.00 0.00 C ATOM 1003 OH TYR A 63 -1.090 5.054 -5.486 1.00 0.00 O ATOM 0 H TYR A 63 6.540 3.997 -8.057 1.00 0.00 H new ATOM 0 HA TYR A 63 3.907 4.927 -9.013 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.289 2.973 -7.438 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.900 4.104 -6.247 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.285 6.277 -5.920 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.121 2.417 -7.334 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.948 6.732 -5.217 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.202 2.835 -6.630 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.646 4.276 -5.701 1.00 0.00 H new ATOM 1013 N ASP A 64 5.745 6.714 -6.943 1.00 0.00 N ATOM 1014 CA ASP A 64 5.876 8.103 -6.424 1.00 0.00 C ATOM 1015 C ASP A 64 6.279 9.014 -7.569 1.00 0.00 C ATOM 1016 O ASP A 64 5.904 10.168 -7.636 1.00 0.00 O ATOM 1017 CB ASP A 64 6.955 8.137 -5.365 1.00 0.00 C ATOM 1018 CG ASP A 64 6.854 9.438 -4.564 1.00 0.00 C ATOM 1019 OD1 ASP A 64 7.158 10.480 -5.124 1.00 0.00 O ATOM 1020 OD2 ASP A 64 6.478 9.371 -3.405 1.00 0.00 O ATOM 0 H ASP A 64 6.490 6.075 -6.667 1.00 0.00 H new ATOM 0 HA ASP A 64 4.929 8.433 -5.996 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.851 7.280 -4.699 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.937 8.061 -5.831 1.00 0.00 H new ATOM 1025 N ARG A 65 7.062 8.492 -8.460 1.00 0.00 N ATOM 1026 CA ARG A 65 7.530 9.302 -9.615 1.00 0.00 C ATOM 1027 C ARG A 65 6.447 9.371 -10.698 1.00 0.00 C ATOM 1028 O ARG A 65 6.280 10.378 -11.357 1.00 0.00 O ATOM 1029 CB ARG A 65 8.789 8.663 -10.205 1.00 0.00 C ATOM 1030 CG ARG A 65 9.559 9.706 -11.016 1.00 0.00 C ATOM 1031 CD ARG A 65 10.847 9.087 -11.565 1.00 0.00 C ATOM 1032 NE ARG A 65 11.424 9.992 -12.599 1.00 0.00 N ATOM 1033 CZ ARG A 65 12.539 9.676 -13.203 1.00 0.00 C ATOM 1034 NH1 ARG A 65 13.190 8.598 -12.861 1.00 0.00 N ATOM 1035 NH2 ARG A 65 13.006 10.444 -14.151 1.00 0.00 N ATOM 0 H ARG A 65 7.403 7.531 -8.440 1.00 0.00 H new ATOM 0 HA ARG A 65 7.749 10.312 -9.268 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.419 8.270 -9.407 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.518 7.820 -10.841 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.941 10.071 -11.837 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.796 10.565 -10.389 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.564 8.934 -10.758 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.639 8.108 -11.997 1.00 0.00 H new ATOM 0 HE ARG A 65 10.947 10.862 -12.836 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.829 7.998 -12.119 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.060 8.355 -13.335 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.501 11.289 -14.419 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.876 10.199 -14.624 1.00 0.00 H new ATOM 1049 N ALA A 66 5.727 8.304 -10.905 1.00 0.00 N ATOM 1050 CA ALA A 66 4.675 8.306 -11.967 1.00 0.00 C ATOM 1051 C ALA A 66 3.462 9.129 -11.535 1.00 0.00 C ATOM 1052 O ALA A 66 2.747 9.646 -12.365 1.00 0.00 O ATOM 1053 CB ALA A 66 4.226 6.873 -12.250 1.00 0.00 C ATOM 0 H ALA A 66 5.819 7.430 -10.387 1.00 0.00 H new ATOM 0 HA ALA A 66 5.102 8.751 -12.866 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.459 6.878 -13.025 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.079 6.284 -12.588 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.819 6.433 -11.340 1.00 0.00 H new ATOM 1059 N VAL A 67 3.204 9.263 -10.263 1.00 0.00 N ATOM 1060 CA VAL A 67 2.024 10.068 -9.856 1.00 0.00 C ATOM 1061 C VAL A 67 2.264 11.519 -10.231 1.00 0.00 C ATOM 1062 O VAL A 67 1.383 12.197 -10.690 1.00 0.00 O ATOM 1063 CB VAL A 67 1.807 9.992 -8.368 1.00 0.00 C ATOM 1064 CG1 VAL A 67 1.630 8.544 -7.947 1.00 0.00 C ATOM 1065 CG2 VAL A 67 3.001 10.604 -7.693 1.00 0.00 C ATOM 0 H VAL A 67 3.749 8.857 -9.502 1.00 0.00 H new ATOM 0 HA VAL A 67 1.145 9.673 -10.364 1.00 0.00 H new ATOM 0 HB VAL A 67 0.906 10.535 -8.082 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.473 8.495 -6.869 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.767 8.119 -8.459 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.523 7.977 -8.210 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.869 10.562 -6.612 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.899 10.052 -7.971 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.103 11.643 -8.006 1.00 0.00 H new ATOM 1075 N LYS A 68 3.458 11.994 -10.022 1.00 0.00 N ATOM 1076 CA LYS A 68 3.781 13.412 -10.361 1.00 0.00 C ATOM 1077 C LYS A 68 3.513 13.649 -11.850 1.00 0.00 C ATOM 1078 O LYS A 68 2.740 14.508 -12.224 1.00 0.00 O ATOM 1079 CB LYS A 68 5.254 13.685 -10.055 1.00 0.00 C ATOM 1080 CG LYS A 68 5.434 13.869 -8.546 1.00 0.00 C ATOM 1081 CD LYS A 68 6.822 14.446 -8.264 1.00 0.00 C ATOM 1082 CE LYS A 68 7.600 13.484 -7.364 1.00 0.00 C ATOM 1083 NZ LYS A 68 8.604 12.744 -8.178 1.00 0.00 N ATOM 0 H LYS A 68 4.232 11.459 -9.628 1.00 0.00 H new ATOM 0 HA LYS A 68 3.159 14.082 -9.768 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.870 12.857 -10.408 1.00 0.00 H new ATOM 0 HB3 LYS A 68 5.587 14.578 -10.584 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.665 14.536 -8.156 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.315 12.913 -8.036 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.360 14.602 -9.199 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.732 15.420 -7.782 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.098 14.037 -6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.916 12.783 -6.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.939 11.915 -7.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.167 12.431 -9.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.408 13.369 -8.389 1.00 0.00 H new ATOM 1097 N GLU A 69 4.134 12.877 -12.701 1.00 0.00 N ATOM 1098 CA GLU A 69 3.902 13.031 -14.164 1.00 0.00 C ATOM 1099 C GLU A 69 2.414 12.826 -14.424 1.00 0.00 C ATOM 1100 O GLU A 69 1.814 13.409 -15.305 1.00 0.00 O ATOM 1101 CB GLU A 69 4.698 11.945 -14.882 1.00 0.00 C ATOM 1102 CG GLU A 69 6.085 12.482 -15.243 1.00 0.00 C ATOM 1103 CD GLU A 69 6.956 11.340 -15.771 1.00 0.00 C ATOM 1104 OE1 GLU A 69 6.612 10.196 -15.526 1.00 0.00 O ATOM 1105 OE2 GLU A 69 7.953 11.630 -16.413 1.00 0.00 O ATOM 0 H GLU A 69 4.794 12.144 -12.443 1.00 0.00 H new ATOM 0 HA GLU A 69 4.211 14.015 -14.517 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.791 11.066 -14.244 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.172 11.630 -15.784 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.998 13.265 -15.996 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.551 12.933 -14.367 1.00 0.00 H new ATOM 1112 N PHE A 70 1.838 11.988 -13.624 1.00 0.00 N ATOM 1113 CA PHE A 70 0.390 11.662 -13.710 1.00 0.00 C ATOM 1114 C PHE A 70 -0.452 12.841 -13.223 1.00 0.00 C ATOM 1115 O PHE A 70 -1.579 13.030 -13.633 1.00 0.00 O ATOM 1116 CB PHE A 70 0.153 10.501 -12.773 1.00 0.00 C ATOM 1117 CG PHE A 70 -1.273 10.506 -12.374 1.00 0.00 C ATOM 1118 CD1 PHE A 70 -2.209 9.972 -13.230 1.00 0.00 C ATOM 1119 CD2 PHE A 70 -1.643 11.097 -11.175 1.00 0.00 C ATOM 1120 CE1 PHE A 70 -3.559 10.015 -12.895 1.00 0.00 C ATOM 1121 CE2 PHE A 70 -2.993 11.143 -10.819 1.00 0.00 C ATOM 1122 CZ PHE A 70 -3.959 10.600 -11.683 1.00 0.00 C ATOM 0 H PHE A 70 2.330 11.492 -12.881 1.00 0.00 H new ATOM 0 HA PHE A 70 0.115 11.433 -14.740 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.407 9.561 -13.263 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.793 10.586 -11.895 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.896 9.520 -14.160 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.893 11.518 -10.522 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.297 9.600 -13.565 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.293 11.594 -9.884 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.005 10.633 -11.416 1.00 0.00 H new ATOM 1132 N GLU A 71 0.078 13.602 -12.323 1.00 0.00 N ATOM 1133 CA GLU A 71 -0.690 14.736 -11.766 1.00 0.00 C ATOM 1134 C GLU A 71 -0.384 15.977 -12.594 1.00 0.00 C ATOM 1135 O GLU A 71 -1.005 17.012 -12.461 1.00 0.00 O ATOM 1136 CB GLU A 71 -0.265 14.962 -10.313 1.00 0.00 C ATOM 1137 CG GLU A 71 -0.671 13.749 -9.467 1.00 0.00 C ATOM 1138 CD GLU A 71 -1.245 14.223 -8.131 1.00 0.00 C ATOM 1139 OE1 GLU A 71 -2.331 14.779 -8.139 1.00 0.00 O ATOM 1140 OE2 GLU A 71 -0.591 14.017 -7.122 1.00 0.00 O ATOM 0 H GLU A 71 1.018 13.488 -11.945 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.759 14.527 -11.797 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.813 15.113 -10.258 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.734 15.865 -9.922 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.411 13.152 -10.001 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.193 13.107 -9.296 1.00 0.00 H new ATOM 1147 N ALA A 72 0.595 15.863 -13.439 1.00 0.00 N ATOM 1148 CA ALA A 72 1.013 16.992 -14.291 1.00 0.00 C ATOM 1149 C ALA A 72 0.227 16.972 -15.605 1.00 0.00 C ATOM 1150 O ALA A 72 0.674 17.478 -16.616 1.00 0.00 O ATOM 1151 CB ALA A 72 2.498 16.802 -14.563 1.00 0.00 C ATOM 0 H ALA A 72 1.135 15.008 -13.575 1.00 0.00 H new ATOM 0 HA ALA A 72 0.823 17.949 -13.805 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.859 17.615 -15.193 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.044 16.804 -13.620 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.656 15.851 -15.072 1.00 0.00 H new ATOM 1157 N ASN A 73 -0.941 16.388 -15.599 1.00 0.00 N ATOM 1158 CA ASN A 73 -1.755 16.332 -16.847 1.00 0.00 C ATOM 1159 C ASN A 73 -2.881 17.367 -16.774 1.00 0.00 C ATOM 1160 O ASN A 73 -4.026 17.070 -17.050 1.00 0.00 O ATOM 1161 CB ASN A 73 -2.361 14.936 -16.999 1.00 0.00 C ATOM 1162 CG ASN A 73 -3.438 14.730 -15.942 1.00 0.00 C ATOM 1163 OD1 ASN A 73 -3.566 15.512 -15.023 1.00 0.00 O ATOM 1164 ND2 ASN A 73 -4.224 13.697 -16.037 1.00 0.00 N ATOM 0 H ASN A 73 -1.367 15.947 -14.784 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.116 16.549 -17.703 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.788 14.820 -17.995 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.585 14.178 -16.895 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.950 13.543 -15.338 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.114 13.042 -16.811 1.00 0.00 H new ATOM 1171 N GLY A 74 -2.566 18.578 -16.406 1.00 0.00 N ATOM 1172 CA GLY A 74 -3.624 19.626 -16.317 1.00 0.00 C ATOM 1173 C GLY A 74 -3.008 20.999 -16.594 1.00 0.00 C ATOM 1174 O GLY A 74 -1.803 21.063 -16.770 1.00 0.00 O ATOM 1175 OXT GLY A 74 -3.755 21.964 -16.625 1.00 0.00 O ATOM 0 H GLY A 74 -1.625 18.888 -16.163 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.417 19.420 -17.036 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.081 19.614 -15.327 1.00 0.00 H new TER 1179 GLY A 74