USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 475 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 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HE2:sc= -5.79! C(o=-5.8!,f=-4.1!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.247 X(o=0.25,f=0) USER MOD Single : A 14 MET CE :methyl -112:sc= -8.12! (180deg=-16.1!) USER MOD Single : A 15 THR OG1 : rot 92:sc= 0.594 USER MOD Single : A 17 HIS : no HD1:sc= -6.48! C(o=-6.5!,f=-4.8!) USER MOD Single : A 19 LYS NZ :NH3+ -123:sc= -0.216 (180deg=-1) USER MOD Single : A 31 ASN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 34 THR OG1 : rot 22:sc= -6.39! USER MOD Single : A 36 CYS SG : rot 49:sc= -9.31! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 4:sc= 0.322 USER MOD Single : A 53 SER OG : rot -87:sc= 0.00324! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -158:sc= -13.5! (180deg=-18.2!) USER MOD Single : A 66 GLN : amide:sc= -2.22! C(o=-2.2!,f=-2.9!) USER MOD Single : A 67 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0212) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -3.332 7.545 5.123 1.00 0.00 N ATOM 2 CA PRO A 1 -2.861 6.649 4.021 1.00 0.00 C ATOM 3 C PRO A 1 -3.300 5.210 4.306 1.00 0.00 C ATOM 4 O PRO A 1 -3.923 4.568 3.484 1.00 0.00 O ATOM 5 CB PRO A 1 -1.335 6.725 3.964 1.00 0.00 C ATOM 6 CG PRO A 1 -0.888 7.688 5.055 1.00 0.00 C ATOM 7 CD PRO A 1 -2.145 8.186 5.766 1.00 0.00 C ATOM 0 H2 PRO A 1 -3.860 7.009 5.812 1.00 0.00 H new ATOM 0 H3 PRO A 1 -3.961 8.258 4.754 1.00 0.00 H new ATOM 0 HA PRO A 1 -3.288 6.962 3.068 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -0.895 5.740 4.118 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -1.004 7.073 2.985 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -0.221 7.189 5.758 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -0.333 8.523 4.627 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -2.106 7.936 6.826 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -2.216 9.272 5.697 1.00 0.00 H new ATOM 17 N ILE A 2 -2.982 4.701 5.466 1.00 0.00 N ATOM 18 CA ILE A 2 -3.387 3.307 5.803 1.00 0.00 C ATOM 19 C ILE A 2 -4.851 3.301 6.248 1.00 0.00 C ATOM 20 O ILE A 2 -5.699 2.688 5.628 1.00 0.00 O ATOM 21 CB ILE A 2 -2.507 2.778 6.938 1.00 0.00 C ATOM 22 CG1 ILE A 2 -1.090 3.342 6.793 1.00 0.00 C ATOM 23 CG2 ILE A 2 -2.452 1.251 6.875 1.00 0.00 C ATOM 24 CD1 ILE A 2 -0.613 3.163 5.351 1.00 0.00 C ATOM 0 H ILE A 2 -2.460 5.190 6.193 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.267 2.670 4.927 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.928 3.088 7.894 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.079 4.398 7.062 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.412 2.831 7.477 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.825 0.876 7.684 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.459 0.846 6.979 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.033 0.941 5.918 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.395 3.565 5.249 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.609 2.103 5.098 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.285 3.694 4.677 1.00 0.00 H new ATOM 36 N SER A 3 -5.152 3.982 7.320 1.00 0.00 N ATOM 37 CA SER A 3 -6.558 4.020 7.810 1.00 0.00 C ATOM 38 C SER A 3 -7.481 4.484 6.680 1.00 0.00 C ATOM 39 O SER A 3 -8.556 3.951 6.488 1.00 0.00 O ATOM 40 CB SER A 3 -6.657 4.987 8.991 1.00 0.00 C ATOM 41 OG SER A 3 -7.838 5.769 8.867 1.00 0.00 O ATOM 0 H SER A 3 -4.484 4.514 7.878 1.00 0.00 H new ATOM 0 HA SER A 3 -6.861 3.024 8.133 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.673 4.432 9.929 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.781 5.635 9.019 1.00 0.00 H new ATOM 0 HG SER A 3 -7.902 6.387 9.625 1.00 0.00 H new ATOM 47 N GLN A 4 -7.074 5.472 5.929 1.00 0.00 N ATOM 48 CA GLN A 4 -7.935 5.957 4.814 1.00 0.00 C ATOM 49 C GLN A 4 -8.233 4.790 3.874 1.00 0.00 C ATOM 50 O GLN A 4 -9.377 4.503 3.559 1.00 0.00 O ATOM 51 CB GLN A 4 -7.210 7.066 4.049 1.00 0.00 C ATOM 52 CG GLN A 4 -7.299 8.372 4.841 1.00 0.00 C ATOM 53 CD GLN A 4 -8.214 9.354 4.105 1.00 0.00 C ATOM 54 OE1 GLN A 4 -9.412 9.354 4.310 1.00 0.00 O ATOM 55 NE2 GLN A 4 -7.698 10.197 3.254 1.00 0.00 N ATOM 0 H GLN A 4 -6.186 5.962 6.039 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.868 6.354 5.214 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -6.166 6.793 3.893 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.657 7.195 3.063 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.686 8.178 5.841 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -6.306 8.805 4.962 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -6.693 10.197 3.082 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -8.300 10.856 2.761 1.00 0.00 H new ATOM 64 N VAL A 5 -7.222 4.098 3.428 1.00 0.00 N ATOM 65 CA VAL A 5 -7.481 2.947 2.530 1.00 0.00 C ATOM 66 C VAL A 5 -8.441 2.012 3.245 1.00 0.00 C ATOM 67 O VAL A 5 -9.575 1.881 2.861 1.00 0.00 O ATOM 68 CB VAL A 5 -6.181 2.194 2.228 1.00 0.00 C ATOM 69 CG1 VAL A 5 -6.488 0.912 1.446 1.00 0.00 C ATOM 70 CG2 VAL A 5 -5.229 3.078 1.421 1.00 0.00 C ATOM 0 H VAL A 5 -6.242 4.279 3.644 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.900 3.301 1.588 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.703 1.932 3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.559 0.383 1.235 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.143 0.273 2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.981 1.167 0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.310 2.529 1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.703 3.359 0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.994 3.976 1.992 1.00 0.00 H new ATOM 80 N HIS A 6 -7.996 1.383 4.299 1.00 0.00 N ATOM 81 CA HIS A 6 -8.881 0.466 5.066 1.00 0.00 C ATOM 82 C HIS A 6 -10.310 1.012 5.064 1.00 0.00 C ATOM 83 O HIS A 6 -11.277 0.272 5.036 1.00 0.00 O ATOM 84 CB HIS A 6 -8.380 0.404 6.504 1.00 0.00 C ATOM 85 CG HIS A 6 -7.128 -0.427 6.574 1.00 0.00 C ATOM 86 ND1 HIS A 6 -7.153 -1.813 6.532 1.00 0.00 N ATOM 87 CD2 HIS A 6 -5.805 -0.079 6.692 1.00 0.00 C ATOM 88 CE1 HIS A 6 -5.881 -2.243 6.624 1.00 0.00 C ATOM 89 NE2 HIS A 6 -5.019 -1.227 6.723 1.00 0.00 N ATOM 0 H HIS A 6 -7.047 1.468 4.663 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.870 -0.525 4.613 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.180 1.410 6.872 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.148 -0.025 7.148 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -7.983 -2.399 6.447 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.431 0.932 6.752 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.592 -3.284 6.618 1.00 0.00 H new ATOM 97 N GLU A 7 -10.440 2.312 5.091 1.00 0.00 N ATOM 98 CA GLU A 7 -11.791 2.931 5.102 1.00 0.00 C ATOM 99 C GLU A 7 -12.496 2.708 3.762 1.00 0.00 C ATOM 100 O GLU A 7 -13.613 2.243 3.724 1.00 0.00 O ATOM 101 CB GLU A 7 -11.664 4.432 5.369 1.00 0.00 C ATOM 102 CG GLU A 7 -12.018 4.721 6.829 1.00 0.00 C ATOM 103 CD GLU A 7 -11.605 6.150 7.182 1.00 0.00 C ATOM 104 OE1 GLU A 7 -10.616 6.612 6.637 1.00 0.00 O ATOM 105 OE2 GLU A 7 -12.283 6.758 7.994 1.00 0.00 O ATOM 0 H GLU A 7 -9.663 2.972 5.106 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.382 2.465 5.890 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.648 4.765 5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.327 4.988 4.706 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.089 4.591 6.987 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.511 4.013 7.484 1.00 0.00 H new ATOM 112 N ILE A 8 -11.872 3.047 2.663 1.00 0.00 N ATOM 113 CA ILE A 8 -12.570 2.850 1.345 1.00 0.00 C ATOM 114 C ILE A 8 -12.598 1.349 1.023 1.00 0.00 C ATOM 115 O ILE A 8 -13.604 0.808 0.614 1.00 0.00 O ATOM 116 CB ILE A 8 -11.867 3.649 0.200 1.00 0.00 C ATOM 117 CG1 ILE A 8 -11.480 2.736 -0.988 1.00 0.00 C ATOM 118 CG2 ILE A 8 -10.607 4.345 0.719 1.00 0.00 C ATOM 119 CD1 ILE A 8 -10.199 1.943 -0.698 1.00 0.00 C ATOM 0 H ILE A 8 -10.933 3.442 2.614 1.00 0.00 H new ATOM 0 HA ILE A 8 -13.588 3.232 1.420 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.584 4.392 -0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.297 2.045 -1.197 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.338 3.343 -1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -10.134 4.895 -0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.876 5.037 1.517 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.912 3.599 1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.959 1.313 -1.555 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.377 2.635 -0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.350 1.317 0.181 1.00 0.00 H new ATOM 131 N GLY A 9 -11.492 0.687 1.191 1.00 0.00 N ATOM 132 CA GLY A 9 -11.423 -0.763 0.889 1.00 0.00 C ATOM 133 C GLY A 9 -12.574 -1.481 1.586 1.00 0.00 C ATOM 134 O GLY A 9 -13.328 -2.205 0.970 1.00 0.00 O ATOM 0 H GLY A 9 -10.621 1.096 1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.478 -0.924 -0.188 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.469 -1.171 1.224 1.00 0.00 H new ATOM 138 N ILE A 10 -12.721 -1.291 2.867 1.00 0.00 N ATOM 139 CA ILE A 10 -13.831 -1.976 3.580 1.00 0.00 C ATOM 140 C ILE A 10 -15.176 -1.406 3.101 1.00 0.00 C ATOM 141 O ILE A 10 -16.099 -2.137 2.800 1.00 0.00 O ATOM 142 CB ILE A 10 -13.650 -1.771 5.098 1.00 0.00 C ATOM 143 CG1 ILE A 10 -13.155 -3.080 5.700 1.00 0.00 C ATOM 144 CG2 ILE A 10 -14.972 -1.378 5.774 1.00 0.00 C ATOM 145 CD1 ILE A 10 -14.140 -4.191 5.337 1.00 0.00 C ATOM 0 H ILE A 10 -12.127 -0.697 3.445 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.819 -3.045 3.366 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.935 -0.965 5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.161 -3.318 5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.070 -2.989 6.783 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.808 -1.242 6.843 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.339 -0.447 5.342 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.709 -2.166 5.618 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.797 -5.134 5.762 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -15.125 -3.949 5.737 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.201 -4.283 4.253 1.00 0.00 H new ATOM 157 N LYS A 11 -15.294 -0.108 3.043 1.00 0.00 N ATOM 158 CA LYS A 11 -16.577 0.512 2.603 1.00 0.00 C ATOM 159 C LYS A 11 -16.874 0.144 1.149 1.00 0.00 C ATOM 160 O LYS A 11 -17.949 0.399 0.644 1.00 0.00 O ATOM 161 CB LYS A 11 -16.465 2.034 2.718 1.00 0.00 C ATOM 162 CG LYS A 11 -17.229 2.514 3.953 1.00 0.00 C ATOM 163 CD LYS A 11 -18.405 3.391 3.520 1.00 0.00 C ATOM 164 CE LYS A 11 -19.178 3.853 4.757 1.00 0.00 C ATOM 165 NZ LYS A 11 -20.311 2.920 5.010 1.00 0.00 N ATOM 0 H LYS A 11 -14.555 0.553 3.282 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.384 0.143 3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.418 2.327 2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.868 2.507 1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -17.591 1.659 4.524 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -16.564 3.077 4.608 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.043 4.254 2.961 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -19.063 2.833 2.854 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.516 3.882 5.623 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -19.553 4.866 4.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -20.837 3.233 5.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -20.946 2.914 4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -19.942 1.961 5.170 1.00 0.00 H new ATOM 179 N ARG A 12 -15.933 -0.443 0.467 1.00 0.00 N ATOM 180 CA ARG A 12 -16.173 -0.810 -0.958 1.00 0.00 C ATOM 181 C ARG A 12 -15.899 -2.299 -1.163 1.00 0.00 C ATOM 182 O ARG A 12 -15.881 -2.786 -2.276 1.00 0.00 O ATOM 183 CB ARG A 12 -15.241 0.006 -1.858 1.00 0.00 C ATOM 184 CG ARG A 12 -15.695 -0.127 -3.314 1.00 0.00 C ATOM 185 CD ARG A 12 -14.475 -0.089 -4.238 1.00 0.00 C ATOM 186 NE ARG A 12 -14.047 1.324 -4.450 1.00 0.00 N ATOM 187 CZ ARG A 12 -14.939 2.274 -4.540 1.00 0.00 C ATOM 188 NH1 ARG A 12 -16.028 2.082 -5.233 1.00 0.00 N ATOM 189 NH2 ARG A 12 -14.741 3.414 -3.939 1.00 0.00 N ATOM 0 H ARG A 12 -15.011 -0.685 0.831 1.00 0.00 H new ATOM 0 HA ARG A 12 -17.211 -0.596 -1.214 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.251 1.053 -1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.215 -0.346 -1.752 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -16.239 -1.061 -3.452 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -16.381 0.682 -3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -13.659 -0.665 -3.802 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.717 -0.553 -5.194 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.055 1.549 -4.525 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.182 1.190 -5.704 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -16.725 2.823 -5.304 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.889 3.564 -3.398 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.438 4.156 -4.010 1.00 0.00 H new ATOM 203 N ASN A 13 -15.676 -3.021 -0.099 1.00 0.00 N ATOM 204 CA ASN A 13 -15.395 -4.481 -0.223 1.00 0.00 C ATOM 205 C ASN A 13 -13.929 -4.693 -0.614 1.00 0.00 C ATOM 206 O ASN A 13 -13.425 -5.798 -0.575 1.00 0.00 O ATOM 207 CB ASN A 13 -16.306 -5.094 -1.291 1.00 0.00 C ATOM 208 CG ASN A 13 -16.782 -6.472 -0.827 1.00 0.00 C ATOM 209 OD1 ASN A 13 -17.955 -6.672 -0.580 1.00 0.00 O ATOM 210 ND2 ASN A 13 -15.914 -7.439 -0.698 1.00 0.00 N ATOM 0 H ASN A 13 -15.676 -2.661 0.856 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.586 -4.966 0.734 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -17.162 -4.444 -1.471 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -15.769 -5.182 -2.235 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -16.221 -8.362 -0.390 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -14.929 -7.272 -0.905 1.00 0.00 H new ATOM 217 N MET A 14 -13.235 -3.647 -0.983 1.00 0.00 N ATOM 218 CA MET A 14 -11.806 -3.803 -1.363 1.00 0.00 C ATOM 219 C MET A 14 -10.978 -4.056 -0.102 1.00 0.00 C ATOM 220 O MET A 14 -10.493 -3.137 0.528 1.00 0.00 O ATOM 221 CB MET A 14 -11.318 -2.525 -2.048 1.00 0.00 C ATOM 222 CG MET A 14 -11.317 -2.729 -3.563 1.00 0.00 C ATOM 223 SD MET A 14 -11.067 -1.137 -4.386 1.00 0.00 S ATOM 224 CE MET A 14 -9.902 -1.715 -5.642 1.00 0.00 C ATOM 0 H MET A 14 -13.598 -2.695 -1.036 1.00 0.00 H new ATOM 0 HA MET A 14 -11.697 -4.643 -2.049 1.00 0.00 H new ATOM 0 HB2 MET A 14 -11.964 -1.688 -1.783 1.00 0.00 H new ATOM 0 HB3 MET A 14 -10.315 -2.275 -1.703 1.00 0.00 H new ATOM 0 HG2 MET A 14 -10.527 -3.425 -3.846 1.00 0.00 H new ATOM 0 HG3 MET A 14 -12.261 -3.171 -3.882 1.00 0.00 H new ATOM 0 HE1 MET A 14 -8.919 -1.286 -5.451 1.00 0.00 H new ATOM 0 HE2 MET A 14 -9.837 -2.802 -5.605 1.00 0.00 H new ATOM 0 HE3 MET A 14 -10.248 -1.406 -6.628 1.00 0.00 H new ATOM 234 N THR A 15 -10.818 -5.296 0.274 1.00 0.00 N ATOM 235 CA THR A 15 -10.026 -5.606 1.498 1.00 0.00 C ATOM 236 C THR A 15 -8.761 -4.753 1.516 1.00 0.00 C ATOM 237 O THR A 15 -8.226 -4.405 0.489 1.00 0.00 O ATOM 238 CB THR A 15 -9.647 -7.092 1.509 1.00 0.00 C ATOM 239 OG1 THR A 15 -10.154 -7.720 0.338 1.00 0.00 O ATOM 240 CG2 THR A 15 -10.261 -7.745 2.747 1.00 0.00 C ATOM 0 H THR A 15 -11.201 -6.106 -0.213 1.00 0.00 H new ATOM 0 HA THR A 15 -10.626 -5.384 2.381 1.00 0.00 H new ATOM 0 HB THR A 15 -8.563 -7.200 1.531 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.472 -7.701 -0.365 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.999 -8.803 2.768 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.877 -7.258 3.643 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.345 -7.640 2.714 1.00 0.00 H new ATOM 248 N VAL A 16 -8.280 -4.410 2.676 1.00 0.00 N ATOM 249 CA VAL A 16 -7.047 -3.578 2.753 1.00 0.00 C ATOM 250 C VAL A 16 -6.026 -4.283 3.639 1.00 0.00 C ATOM 251 O VAL A 16 -6.133 -4.271 4.850 1.00 0.00 O ATOM 252 CB VAL A 16 -7.390 -2.211 3.349 1.00 0.00 C ATOM 253 CG1 VAL A 16 -6.150 -1.314 3.313 1.00 0.00 C ATOM 254 CG2 VAL A 16 -8.510 -1.570 2.525 1.00 0.00 C ATOM 0 H VAL A 16 -8.686 -4.669 3.575 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.632 -3.439 1.755 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.718 -2.332 4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.393 -0.340 3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.351 -1.774 3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.822 -1.189 2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.759 -0.595 2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.178 -1.447 1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.391 -2.211 2.548 1.00 0.00 H new ATOM 264 N HIS A 17 -5.040 -4.912 3.058 1.00 0.00 N ATOM 265 CA HIS A 17 -4.030 -5.624 3.913 1.00 0.00 C ATOM 266 C HIS A 17 -2.625 -5.083 3.646 1.00 0.00 C ATOM 267 O HIS A 17 -1.943 -5.509 2.737 1.00 0.00 O ATOM 268 CB HIS A 17 -4.057 -7.129 3.625 1.00 0.00 C ATOM 269 CG HIS A 17 -5.383 -7.702 4.051 1.00 0.00 C ATOM 270 ND1 HIS A 17 -6.000 -7.332 5.235 1.00 0.00 N ATOM 271 CD2 HIS A 17 -6.221 -8.622 3.463 1.00 0.00 C ATOM 272 CE1 HIS A 17 -7.154 -8.018 5.325 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.338 -8.818 4.271 1.00 0.00 N ATOM 0 H HIS A 17 -4.886 -4.967 2.051 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.287 -5.451 4.958 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.897 -7.309 2.562 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.247 -7.626 4.158 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.040 -9.116 2.520 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.847 -7.932 6.149 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -8.128 -9.439 4.096 1.00 0.00 H new ATOM 281 N PHE A 18 -2.184 -4.148 4.441 1.00 0.00 N ATOM 282 CA PHE A 18 -0.825 -3.575 4.240 1.00 0.00 C ATOM 283 C PHE A 18 0.225 -4.495 4.858 1.00 0.00 C ATOM 284 O PHE A 18 0.129 -4.893 6.002 1.00 0.00 O ATOM 285 CB PHE A 18 -0.745 -2.207 4.914 1.00 0.00 C ATOM 286 CG PHE A 18 -1.402 -1.175 4.037 1.00 0.00 C ATOM 287 CD1 PHE A 18 -2.595 -1.475 3.367 1.00 0.00 C ATOM 288 CD2 PHE A 18 -0.825 0.091 3.900 1.00 0.00 C ATOM 289 CE1 PHE A 18 -3.208 -0.514 2.566 1.00 0.00 C ATOM 290 CE2 PHE A 18 -1.439 1.052 3.093 1.00 0.00 C ATOM 291 CZ PHE A 18 -2.633 0.746 2.429 1.00 0.00 C ATOM 0 H PHE A 18 -2.708 -3.755 5.223 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.637 -3.475 3.171 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.237 -2.240 5.886 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.296 -1.938 5.092 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.041 -2.453 3.472 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.094 0.326 4.417 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.129 -0.747 2.052 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.993 2.029 2.982 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.110 1.490 1.808 1.00 0.00 H new ATOM 301 N LYS A 19 1.237 -4.822 4.109 1.00 0.00 N ATOM 302 CA LYS A 19 2.313 -5.699 4.635 1.00 0.00 C ATOM 303 C LYS A 19 3.614 -5.338 3.924 1.00 0.00 C ATOM 304 O LYS A 19 3.762 -5.569 2.741 1.00 0.00 O ATOM 305 CB LYS A 19 1.962 -7.165 4.361 1.00 0.00 C ATOM 306 CG LYS A 19 1.982 -7.949 5.675 1.00 0.00 C ATOM 307 CD LYS A 19 2.541 -9.351 5.425 1.00 0.00 C ATOM 308 CE LYS A 19 1.675 -10.069 4.389 1.00 0.00 C ATOM 309 NZ LYS A 19 2.401 -10.123 3.088 1.00 0.00 N ATOM 0 H LYS A 19 1.365 -4.515 3.145 1.00 0.00 H new ATOM 0 HA LYS A 19 2.422 -5.560 5.711 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.977 -7.234 3.899 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.675 -7.595 3.658 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.593 -7.428 6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.975 -8.016 6.086 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.570 -9.286 5.072 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.559 -9.918 6.356 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.442 -11.078 4.730 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.726 -9.547 4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.822 -9.676 2.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.305 -9.616 3.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.583 -11.115 2.833 1.00 0.00 H new ATOM 323 N VAL A 20 4.555 -4.766 4.619 1.00 0.00 N ATOM 324 CA VAL A 20 5.826 -4.391 3.947 1.00 0.00 C ATOM 325 C VAL A 20 6.685 -5.638 3.777 1.00 0.00 C ATOM 326 O VAL A 20 7.296 -6.126 4.707 1.00 0.00 O ATOM 327 CB VAL A 20 6.566 -3.343 4.780 1.00 0.00 C ATOM 328 CG1 VAL A 20 7.944 -3.078 4.165 1.00 0.00 C ATOM 329 CG2 VAL A 20 5.756 -2.042 4.785 1.00 0.00 C ATOM 0 H VAL A 20 4.500 -4.544 5.613 1.00 0.00 H new ATOM 0 HA VAL A 20 5.613 -3.964 2.967 1.00 0.00 H new ATOM 0 HB VAL A 20 6.688 -3.707 5.800 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.470 -2.331 4.759 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.520 -4.003 4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.823 -2.711 3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.278 -1.291 5.377 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.640 -1.682 3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.773 -2.227 5.218 1.00 0.00 H new ATOM 339 N LEU A 21 6.718 -6.158 2.584 1.00 0.00 N ATOM 340 CA LEU A 21 7.520 -7.387 2.324 1.00 0.00 C ATOM 341 C LEU A 21 8.944 -7.008 1.918 1.00 0.00 C ATOM 342 O LEU A 21 9.861 -7.796 2.043 1.00 0.00 O ATOM 343 CB LEU A 21 6.875 -8.232 1.213 1.00 0.00 C ATOM 344 CG LEU A 21 6.065 -7.368 0.250 1.00 0.00 C ATOM 345 CD1 LEU A 21 6.109 -7.985 -1.149 1.00 0.00 C ATOM 346 CD2 LEU A 21 4.622 -7.336 0.745 1.00 0.00 C ATOM 0 H LEU A 21 6.223 -5.785 1.774 1.00 0.00 H new ATOM 0 HA LEU A 21 7.549 -7.976 3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.651 -8.763 0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.227 -8.987 1.659 1.00 0.00 H new ATOM 0 HG LEU A 21 6.476 -6.359 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.531 -7.368 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.143 -8.038 -1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.685 -8.989 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.020 -6.724 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.223 -8.350 0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.591 -6.911 1.748 1.00 0.00 H new ATOM 358 N ARG A 22 9.147 -5.813 1.439 1.00 0.00 N ATOM 359 CA ARG A 22 10.522 -5.405 1.039 1.00 0.00 C ATOM 360 C ARG A 22 10.845 -4.034 1.634 1.00 0.00 C ATOM 361 O ARG A 22 9.990 -3.176 1.744 1.00 0.00 O ATOM 362 CB ARG A 22 10.617 -5.339 -0.485 1.00 0.00 C ATOM 363 CG ARG A 22 11.226 -6.639 -1.011 1.00 0.00 C ATOM 364 CD ARG A 22 10.167 -7.432 -1.779 1.00 0.00 C ATOM 365 NE ARG A 22 10.783 -8.667 -2.347 1.00 0.00 N ATOM 366 CZ ARG A 22 12.008 -8.641 -2.799 1.00 0.00 C ATOM 367 NH1 ARG A 22 12.391 -7.679 -3.594 1.00 0.00 N ATOM 368 NH2 ARG A 22 12.851 -9.576 -2.455 1.00 0.00 N ATOM 0 H ARG A 22 8.425 -5.105 1.308 1.00 0.00 H new ATOM 0 HA ARG A 22 11.237 -6.138 1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.627 -5.187 -0.916 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.230 -4.489 -0.786 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.072 -6.418 -1.662 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.609 -7.234 -0.182 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.343 -7.696 -1.116 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.749 -6.821 -2.579 1.00 0.00 H new ATOM 0 HE ARG A 22 10.246 -9.533 -2.382 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.733 -6.947 -3.863 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.348 -7.659 -3.947 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.553 -10.327 -1.833 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.808 -9.555 -2.808 1.00 0.00 H new ATOM 499 N ASN A 31 14.034 1.774 -1.782 1.00 0.00 N ATOM 500 CA ASN A 31 12.546 1.869 -1.814 1.00 0.00 C ATOM 501 C ASN A 31 11.916 0.752 -0.981 1.00 0.00 C ATOM 502 O ASN A 31 12.423 -0.349 -0.913 1.00 0.00 O ATOM 503 CB ASN A 31 12.073 1.718 -3.254 1.00 0.00 C ATOM 504 CG ASN A 31 13.033 2.453 -4.191 1.00 0.00 C ATOM 505 OD1 ASN A 31 13.450 1.914 -5.197 1.00 0.00 O ATOM 506 ND2 ASN A 31 13.405 3.670 -3.901 1.00 0.00 N ATOM 0 HA ASN A 31 12.249 2.834 -1.404 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.024 0.663 -3.522 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.066 2.121 -3.360 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.046 4.168 -4.519 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.055 4.123 -3.057 1.00 0.00 H new ATOM 513 N PHE A 32 10.794 1.027 -0.370 1.00 0.00 N ATOM 514 CA PHE A 32 10.101 -0.014 0.443 1.00 0.00 C ATOM 515 C PHE A 32 8.898 -0.540 -0.346 1.00 0.00 C ATOM 516 O PHE A 32 7.990 0.204 -0.662 1.00 0.00 O ATOM 517 CB PHE A 32 9.587 0.608 1.743 1.00 0.00 C ATOM 518 CG PHE A 32 10.715 0.770 2.731 1.00 0.00 C ATOM 519 CD1 PHE A 32 11.744 1.686 2.483 1.00 0.00 C ATOM 520 CD2 PHE A 32 10.721 0.009 3.905 1.00 0.00 C ATOM 521 CE1 PHE A 32 12.781 1.839 3.411 1.00 0.00 C ATOM 522 CE2 PHE A 32 11.756 0.160 4.832 1.00 0.00 C ATOM 523 CZ PHE A 32 12.788 1.075 4.586 1.00 0.00 C ATOM 0 H PHE A 32 10.326 1.933 -0.400 1.00 0.00 H new ATOM 0 HA PHE A 32 10.798 -0.822 0.666 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.135 1.578 1.536 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.808 -0.022 2.172 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.738 2.274 1.577 1.00 0.00 H new ATOM 0 HD2 PHE A 32 9.925 -0.696 4.095 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.575 2.546 3.222 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.760 -0.428 5.738 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.589 1.192 5.301 1.00 0.00 H new ATOM 533 N ILE A 33 8.864 -1.811 -0.655 1.00 0.00 N ATOM 534 CA ILE A 33 7.697 -2.348 -1.410 1.00 0.00 C ATOM 535 C ILE A 33 6.632 -2.798 -0.422 1.00 0.00 C ATOM 536 O ILE A 33 6.629 -3.922 0.042 1.00 0.00 O ATOM 537 CB ILE A 33 8.115 -3.538 -2.270 1.00 0.00 C ATOM 538 CG1 ILE A 33 9.579 -3.384 -2.692 1.00 0.00 C ATOM 539 CG2 ILE A 33 7.230 -3.600 -3.516 1.00 0.00 C ATOM 540 CD1 ILE A 33 9.760 -2.052 -3.418 1.00 0.00 C ATOM 0 H ILE A 33 9.586 -2.492 -0.420 1.00 0.00 H new ATOM 0 HA ILE A 33 7.306 -1.565 -2.060 1.00 0.00 H new ATOM 0 HB ILE A 33 8.002 -4.456 -1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.228 -3.425 -1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.870 -4.208 -3.343 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.527 -4.449 -4.131 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.188 -3.715 -3.217 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.343 -2.680 -4.089 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.802 -1.940 -3.719 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.122 -2.030 -4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.485 -1.234 -2.752 1.00 0.00 H new ATOM 552 N THR A 34 5.727 -1.928 -0.096 1.00 0.00 N ATOM 553 CA THR A 34 4.657 -2.298 0.862 1.00 0.00 C ATOM 554 C THR A 34 3.476 -2.880 0.092 1.00 0.00 C ATOM 555 O THR A 34 2.825 -2.206 -0.682 1.00 0.00 O ATOM 556 CB THR A 34 4.214 -1.059 1.647 1.00 0.00 C ATOM 557 OG1 THR A 34 5.249 -0.674 2.539 1.00 0.00 O ATOM 558 CG2 THR A 34 2.946 -1.381 2.443 1.00 0.00 C ATOM 0 H THR A 34 5.681 -0.973 -0.452 1.00 0.00 H new ATOM 0 HA THR A 34 5.033 -3.042 1.564 1.00 0.00 H new ATOM 0 HB THR A 34 4.007 -0.244 0.954 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.104 -1.036 2.224 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.633 -0.498 3.001 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.152 -1.678 1.758 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.150 -2.196 3.138 1.00 0.00 H new ATOM 566 N ALA A 35 3.211 -4.139 0.284 1.00 0.00 N ATOM 567 CA ALA A 35 2.083 -4.786 -0.440 1.00 0.00 C ATOM 568 C ALA A 35 0.755 -4.455 0.245 1.00 0.00 C ATOM 569 O ALA A 35 0.517 -4.840 1.369 1.00 0.00 O ATOM 570 CB ALA A 35 2.298 -6.292 -0.429 1.00 0.00 C ATOM 0 H ALA A 35 3.729 -4.752 0.914 1.00 0.00 H new ATOM 0 HA ALA A 35 2.049 -4.417 -1.465 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.479 -6.780 -0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.240 -6.529 -0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.330 -6.648 0.601 1.00 0.00 H new ATOM 576 N CYS A 36 -0.130 -3.765 -0.428 1.00 0.00 N ATOM 577 CA CYS A 36 -1.442 -3.444 0.201 1.00 0.00 C ATOM 578 C CYS A 36 -2.520 -4.203 -0.574 1.00 0.00 C ATOM 579 O CYS A 36 -2.725 -3.978 -1.750 1.00 0.00 O ATOM 580 CB CYS A 36 -1.714 -1.917 0.184 1.00 0.00 C ATOM 581 SG CYS A 36 -0.453 -1.040 -0.779 1.00 0.00 S ATOM 0 H CYS A 36 -0.001 -3.414 -1.377 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.442 -3.748 1.248 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.699 -1.725 -0.241 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.727 -1.535 1.205 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.290 -1.634 -1.924 1.00 0.00 H new ATOM 587 N ILE A 37 -3.185 -5.134 0.064 1.00 0.00 N ATOM 588 CA ILE A 37 -4.212 -5.938 -0.658 1.00 0.00 C ATOM 589 C ILE A 37 -5.477 -5.120 -0.839 1.00 0.00 C ATOM 590 O ILE A 37 -5.953 -4.488 0.092 1.00 0.00 O ATOM 591 CB ILE A 37 -4.518 -7.234 0.134 1.00 0.00 C ATOM 592 CG1 ILE A 37 -4.714 -8.396 -0.840 1.00 0.00 C ATOM 593 CG2 ILE A 37 -5.793 -7.107 0.994 1.00 0.00 C ATOM 594 CD1 ILE A 37 -6.098 -8.302 -1.477 1.00 0.00 C ATOM 0 H ILE A 37 -3.060 -5.369 1.049 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.828 -6.210 -1.641 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.670 -7.412 0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.945 -8.370 -1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.608 -9.345 -0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.965 -8.041 1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.669 -6.295 1.711 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.647 -6.896 0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.236 -9.131 -2.171 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.860 -8.349 -0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.187 -7.359 -2.016 1.00 0.00 H new ATOM 606 N VAL A 38 -6.018 -5.167 -2.031 1.00 0.00 N ATOM 607 CA VAL A 38 -7.273 -4.440 -2.355 1.00 0.00 C ATOM 608 C VAL A 38 -8.239 -5.423 -3.037 1.00 0.00 C ATOM 609 O VAL A 38 -7.857 -6.175 -3.913 1.00 0.00 O ATOM 610 CB VAL A 38 -6.940 -3.252 -3.283 1.00 0.00 C ATOM 611 CG1 VAL A 38 -7.636 -3.387 -4.645 1.00 0.00 C ATOM 612 CG2 VAL A 38 -7.400 -1.959 -2.615 1.00 0.00 C ATOM 0 H VAL A 38 -5.627 -5.695 -2.811 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.744 -4.049 -1.453 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.863 -3.241 -3.451 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.378 -2.533 -5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.308 -4.306 -5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.716 -3.418 -4.500 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.169 -1.113 -3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.475 -2.001 -2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.884 -1.838 -1.662 1.00 0.00 H new ATOM 622 N GLY A 39 -9.482 -5.421 -2.648 1.00 0.00 N ATOM 623 CA GLY A 39 -10.461 -6.352 -3.279 1.00 0.00 C ATOM 624 C GLY A 39 -9.888 -7.772 -3.301 1.00 0.00 C ATOM 625 O GLY A 39 -9.467 -8.297 -2.288 1.00 0.00 O ATOM 0 H GLY A 39 -9.864 -4.816 -1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.400 -6.337 -2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.685 -6.025 -4.294 1.00 0.00 H new ATOM 629 N SER A 40 -9.871 -8.398 -4.446 1.00 0.00 N ATOM 630 CA SER A 40 -9.329 -9.784 -4.530 1.00 0.00 C ATOM 631 C SER A 40 -7.940 -9.759 -5.175 1.00 0.00 C ATOM 632 O SER A 40 -7.344 -10.788 -5.423 1.00 0.00 O ATOM 633 CB SER A 40 -10.266 -10.649 -5.375 1.00 0.00 C ATOM 634 OG SER A 40 -11.613 -10.363 -5.023 1.00 0.00 O ATOM 0 H SER A 40 -10.209 -8.010 -5.327 1.00 0.00 H new ATOM 0 HA SER A 40 -9.253 -10.201 -3.526 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.105 -10.452 -6.435 1.00 0.00 H new ATOM 0 HB3 SER A 40 -10.051 -11.705 -5.211 1.00 0.00 H new ATOM 0 HG SER A 40 -12.217 -10.914 -5.564 1.00 0.00 H new ATOM 640 N ILE A 41 -7.419 -8.595 -5.443 1.00 0.00 N ATOM 641 CA ILE A 41 -6.069 -8.507 -6.065 1.00 0.00 C ATOM 642 C ILE A 41 -5.159 -7.683 -5.157 1.00 0.00 C ATOM 643 O ILE A 41 -5.616 -6.825 -4.431 1.00 0.00 O ATOM 644 CB ILE A 41 -6.178 -7.829 -7.431 1.00 0.00 C ATOM 645 CG1 ILE A 41 -7.489 -8.246 -8.101 1.00 0.00 C ATOM 646 CG2 ILE A 41 -5.000 -8.255 -8.308 1.00 0.00 C ATOM 647 CD1 ILE A 41 -8.484 -7.086 -8.045 1.00 0.00 C ATOM 0 H ILE A 41 -7.870 -7.699 -5.258 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.655 -9.507 -6.194 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.162 -6.747 -7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.305 -8.531 -9.137 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.904 -9.120 -7.599 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.078 -7.772 -9.282 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.066 -7.960 -7.830 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.016 -9.337 -8.438 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -9.417 -7.384 -8.522 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -8.677 -6.822 -7.005 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -8.068 -6.224 -8.567 1.00 0.00 H new ATOM 659 N VAL A 42 -3.877 -7.930 -5.181 1.00 0.00 N ATOM 660 CA VAL A 42 -2.966 -7.143 -4.299 1.00 0.00 C ATOM 661 C VAL A 42 -2.487 -5.898 -5.034 1.00 0.00 C ATOM 662 O VAL A 42 -2.527 -5.812 -6.245 1.00 0.00 O ATOM 663 CB VAL A 42 -1.732 -7.958 -3.893 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.551 -7.881 -2.379 1.00 0.00 C ATOM 665 CG2 VAL A 42 -1.891 -9.422 -4.315 1.00 0.00 C ATOM 0 H VAL A 42 -3.425 -8.633 -5.765 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.529 -6.876 -3.404 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.857 -7.544 -4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.674 -8.460 -2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.415 -6.841 -2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.434 -8.287 -1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.006 -9.984 -4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.770 -9.847 -3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.011 -9.478 -5.397 1.00 0.00 H new ATOM 675 N THR A 43 -2.016 -4.945 -4.292 1.00 0.00 N ATOM 676 CA THR A 43 -1.500 -3.693 -4.901 1.00 0.00 C ATOM 677 C THR A 43 -0.411 -3.141 -3.986 1.00 0.00 C ATOM 678 O THR A 43 -0.687 -2.422 -3.054 1.00 0.00 O ATOM 679 CB THR A 43 -2.637 -2.675 -5.028 1.00 0.00 C ATOM 680 OG1 THR A 43 -3.552 -3.113 -6.022 1.00 0.00 O ATOM 681 CG2 THR A 43 -2.068 -1.310 -5.422 1.00 0.00 C ATOM 0 H THR A 43 -1.965 -4.979 -3.274 1.00 0.00 H new ATOM 0 HA THR A 43 -1.097 -3.889 -5.894 1.00 0.00 H new ATOM 0 HB THR A 43 -3.151 -2.586 -4.071 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.278 -3.994 -6.353 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.881 -0.589 -5.511 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.367 -0.974 -4.658 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.551 -1.394 -6.378 1.00 0.00 H new ATOM 689 N GLU A 44 0.821 -3.492 -4.217 1.00 0.00 N ATOM 690 CA GLU A 44 1.904 -2.987 -3.324 1.00 0.00 C ATOM 691 C GLU A 44 2.310 -1.575 -3.726 1.00 0.00 C ATOM 692 O GLU A 44 1.707 -0.955 -4.578 1.00 0.00 O ATOM 693 CB GLU A 44 3.126 -3.901 -3.411 1.00 0.00 C ATOM 694 CG GLU A 44 3.672 -3.897 -4.839 1.00 0.00 C ATOM 695 CD GLU A 44 3.396 -5.251 -5.494 1.00 0.00 C ATOM 696 OE1 GLU A 44 3.306 -6.229 -4.771 1.00 0.00 O ATOM 697 OE2 GLU A 44 3.281 -5.288 -6.708 1.00 0.00 O ATOM 0 H GLU A 44 1.126 -4.100 -4.977 1.00 0.00 H new ATOM 0 HA GLU A 44 1.526 -2.976 -2.302 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.895 -3.563 -2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.855 -4.915 -3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.204 -3.100 -5.416 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.743 -3.697 -4.830 1.00 0.00 H new ATOM 704 N GLY A 45 3.335 -1.066 -3.104 1.00 0.00 N ATOM 705 CA GLY A 45 3.797 0.314 -3.433 1.00 0.00 C ATOM 706 C GLY A 45 5.245 0.471 -2.982 1.00 0.00 C ATOM 707 O GLY A 45 5.537 0.481 -1.807 1.00 0.00 O ATOM 0 H GLY A 45 3.874 -1.544 -2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.715 0.494 -4.505 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.166 1.051 -2.937 1.00 0.00 H new ATOM 711 N GLU A 46 6.155 0.579 -3.904 1.00 0.00 N ATOM 712 CA GLU A 46 7.583 0.709 -3.521 1.00 0.00 C ATOM 713 C GLU A 46 7.899 2.142 -3.094 1.00 0.00 C ATOM 714 O GLU A 46 8.523 2.893 -3.818 1.00 0.00 O ATOM 715 CB GLU A 46 8.449 0.318 -4.712 1.00 0.00 C ATOM 716 CG GLU A 46 7.906 0.975 -5.982 1.00 0.00 C ATOM 717 CD GLU A 46 9.071 1.385 -6.884 1.00 0.00 C ATOM 718 OE1 GLU A 46 10.195 1.047 -6.555 1.00 0.00 O ATOM 719 OE2 GLU A 46 8.819 2.030 -7.888 1.00 0.00 O ATOM 0 H GLU A 46 5.971 0.583 -4.907 1.00 0.00 H new ATOM 0 HA GLU A 46 7.790 0.051 -2.677 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.480 0.629 -4.542 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.458 -0.766 -4.827 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.250 0.283 -6.510 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.307 1.848 -5.724 1.00 0.00 H new ATOM 726 N GLY A 47 7.488 2.522 -1.913 1.00 0.00 N ATOM 727 CA GLY A 47 7.786 3.902 -1.433 1.00 0.00 C ATOM 728 C GLY A 47 9.279 4.187 -1.634 1.00 0.00 C ATOM 729 O GLY A 47 10.043 3.299 -1.957 1.00 0.00 O ATOM 0 H GLY A 47 6.961 1.939 -1.263 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.187 4.629 -1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.522 4.000 -0.380 1.00 0.00 H new ATOM 798 N VAL A 52 8.346 6.357 4.385 1.00 0.00 N ATOM 799 CA VAL A 52 7.498 5.931 3.244 1.00 0.00 C ATOM 800 C VAL A 52 7.125 4.453 3.404 1.00 0.00 C ATOM 801 O VAL A 52 7.160 3.912 4.490 1.00 0.00 O ATOM 802 CB VAL A 52 8.288 6.153 1.942 1.00 0.00 C ATOM 803 CG1 VAL A 52 9.176 4.940 1.637 1.00 0.00 C ATOM 804 CG2 VAL A 52 7.319 6.385 0.785 1.00 0.00 C ATOM 0 HA VAL A 52 6.578 6.514 3.214 1.00 0.00 H new ATOM 0 HB VAL A 52 8.925 7.029 2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.727 5.115 0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.880 4.789 2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.553 4.052 1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.882 6.542 -0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.673 5.514 0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.709 7.265 0.992 1.00 0.00 H new ATOM 814 N SER A 53 6.773 3.809 2.322 1.00 0.00 N ATOM 815 CA SER A 53 6.396 2.370 2.368 1.00 0.00 C ATOM 816 C SER A 53 4.926 2.236 2.749 1.00 0.00 C ATOM 817 O SER A 53 4.142 1.667 2.023 1.00 0.00 O ATOM 818 CB SER A 53 7.259 1.630 3.388 1.00 0.00 C ATOM 819 OG SER A 53 6.623 1.663 4.659 1.00 0.00 O ATOM 0 H SER A 53 6.731 4.229 1.394 1.00 0.00 H new ATOM 0 HA SER A 53 6.558 1.932 1.383 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.410 0.598 3.072 1.00 0.00 H new ATOM 0 HB3 SER A 53 8.244 2.092 3.450 1.00 0.00 H new ATOM 0 HG SER A 53 6.876 2.484 5.130 1.00 0.00 H new ATOM 825 N LYS A 54 4.547 2.757 3.877 1.00 0.00 N ATOM 826 CA LYS A 54 3.121 2.658 4.295 1.00 0.00 C ATOM 827 C LYS A 54 2.313 3.730 3.563 1.00 0.00 C ATOM 828 O LYS A 54 1.279 3.457 2.981 1.00 0.00 O ATOM 829 CB LYS A 54 3.012 2.867 5.809 1.00 0.00 C ATOM 830 CG LYS A 54 3.556 4.247 6.186 1.00 0.00 C ATOM 831 CD LYS A 54 3.932 4.261 7.670 1.00 0.00 C ATOM 832 CE LYS A 54 3.705 5.662 8.241 1.00 0.00 C ATOM 833 NZ LYS A 54 2.263 5.836 8.573 1.00 0.00 N ATOM 0 H LYS A 54 5.160 3.247 4.529 1.00 0.00 H new ATOM 0 HA LYS A 54 2.730 1.671 4.045 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.972 2.779 6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.570 2.091 6.333 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.428 4.484 5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.807 5.013 5.983 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.331 3.533 8.215 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.975 3.971 7.794 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.314 5.806 9.133 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.016 6.416 7.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.109 6.788 8.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.692 5.716 7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.981 5.125 9.278 1.00 0.00 H new ATOM 847 N LYS A 55 2.783 4.948 3.576 1.00 0.00 N ATOM 848 CA LYS A 55 2.052 6.036 2.875 1.00 0.00 C ATOM 849 C LYS A 55 2.131 5.803 1.365 1.00 0.00 C ATOM 850 O LYS A 55 1.240 6.167 0.624 1.00 0.00 O ATOM 851 CB LYS A 55 2.692 7.384 3.220 1.00 0.00 C ATOM 852 CG LYS A 55 2.506 7.670 4.711 1.00 0.00 C ATOM 853 CD LYS A 55 3.174 8.999 5.066 1.00 0.00 C ATOM 854 CE LYS A 55 3.117 9.212 6.580 1.00 0.00 C ATOM 855 NZ LYS A 55 3.697 10.542 6.918 1.00 0.00 N ATOM 0 H LYS A 55 3.643 5.234 4.043 1.00 0.00 H new ATOM 0 HA LYS A 55 1.009 6.040 3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.753 7.369 2.971 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.237 8.177 2.627 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.444 7.709 4.954 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.940 6.864 5.303 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.210 8.999 4.727 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.671 9.819 4.554 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.085 9.155 6.927 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.669 8.423 7.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.658 10.686 7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.687 10.580 6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.152 11.289 6.443 1.00 0.00 H new ATOM 869 N ARG A 56 3.191 5.193 0.903 1.00 0.00 N ATOM 870 CA ARG A 56 3.318 4.937 -0.559 1.00 0.00 C ATOM 871 C ARG A 56 2.481 3.716 -0.937 1.00 0.00 C ATOM 872 O ARG A 56 1.849 3.688 -1.971 1.00 0.00 O ATOM 873 CB ARG A 56 4.785 4.697 -0.920 1.00 0.00 C ATOM 874 CG ARG A 56 5.331 5.951 -1.607 1.00 0.00 C ATOM 875 CD ARG A 56 5.246 5.784 -3.125 1.00 0.00 C ATOM 876 NE ARG A 56 6.280 6.637 -3.774 1.00 0.00 N ATOM 877 CZ ARG A 56 6.591 6.447 -5.026 1.00 0.00 C ATOM 878 NH1 ARG A 56 5.680 6.576 -5.951 1.00 0.00 N ATOM 879 NH2 ARG A 56 7.813 6.129 -5.354 1.00 0.00 N ATOM 0 H ARG A 56 3.970 4.863 1.473 1.00 0.00 H new ATOM 0 HA ARG A 56 2.957 5.805 -1.110 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.364 4.475 -0.023 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.876 3.834 -1.580 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.761 6.826 -1.295 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.365 6.121 -1.307 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.398 4.739 -3.396 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.253 6.064 -3.478 1.00 0.00 H new ATOM 0 HE ARG A 56 6.745 7.370 -3.239 1.00 0.00 H new ATOM 0 HH11 ARG A 56 4.725 6.825 -5.695 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.923 6.427 -6.930 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.525 6.029 -4.631 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.056 5.980 -6.333 1.00 0.00 H new ATOM 893 N ALA A 57 2.459 2.710 -0.109 1.00 0.00 N ATOM 894 CA ALA A 57 1.639 1.511 -0.434 1.00 0.00 C ATOM 895 C ALA A 57 0.171 1.932 -0.492 1.00 0.00 C ATOM 896 O ALA A 57 -0.532 1.623 -1.427 1.00 0.00 O ATOM 897 CB ALA A 57 1.809 0.431 0.641 1.00 0.00 C ATOM 0 H ALA A 57 2.970 2.666 0.773 1.00 0.00 H new ATOM 0 HA ALA A 57 1.963 1.102 -1.391 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.201 -0.437 0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.857 0.136 0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.490 0.825 1.606 1.00 0.00 H new ATOM 903 N ALA A 58 -0.296 2.635 0.514 1.00 0.00 N ATOM 904 CA ALA A 58 -1.722 3.083 0.527 1.00 0.00 C ATOM 905 C ALA A 58 -1.976 4.072 -0.613 1.00 0.00 C ATOM 906 O ALA A 58 -2.862 3.876 -1.417 1.00 0.00 O ATOM 907 CB ALA A 58 -2.048 3.762 1.862 1.00 0.00 C ATOM 0 H ALA A 58 0.252 2.917 1.327 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.359 2.208 0.397 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.089 4.085 1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.887 3.057 2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.400 4.628 1.998 1.00 0.00 H new ATOM 913 N GLU A 59 -1.218 5.134 -0.703 1.00 0.00 N ATOM 914 CA GLU A 59 -1.457 6.096 -1.816 1.00 0.00 C ATOM 915 C GLU A 59 -1.555 5.297 -3.107 1.00 0.00 C ATOM 916 O GLU A 59 -2.408 5.526 -3.935 1.00 0.00 O ATOM 917 CB GLU A 59 -0.296 7.085 -1.927 1.00 0.00 C ATOM 918 CG GLU A 59 -0.531 8.263 -0.978 1.00 0.00 C ATOM 919 CD GLU A 59 -0.244 9.575 -1.712 1.00 0.00 C ATOM 920 OE1 GLU A 59 0.812 9.675 -2.314 1.00 0.00 O ATOM 921 OE2 GLU A 59 -1.086 10.457 -1.659 1.00 0.00 O ATOM 0 H GLU A 59 -0.458 5.373 -0.066 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.373 6.657 -1.629 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.643 6.588 -1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.207 7.443 -2.953 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.559 8.253 -0.617 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.114 8.174 -0.104 1.00 0.00 H new ATOM 928 N LYS A 60 -0.686 4.344 -3.261 1.00 0.00 N ATOM 929 CA LYS A 60 -0.699 3.487 -4.474 1.00 0.00 C ATOM 930 C LYS A 60 -2.021 2.718 -4.521 1.00 0.00 C ATOM 931 O LYS A 60 -2.618 2.537 -5.562 1.00 0.00 O ATOM 932 CB LYS A 60 0.470 2.501 -4.385 1.00 0.00 C ATOM 933 CG LYS A 60 0.634 1.774 -5.721 1.00 0.00 C ATOM 934 CD LYS A 60 1.661 2.512 -6.582 1.00 0.00 C ATOM 935 CE LYS A 60 2.126 1.598 -7.717 1.00 0.00 C ATOM 936 NZ LYS A 60 1.599 2.108 -9.014 1.00 0.00 N ATOM 0 H LYS A 60 0.045 4.118 -2.587 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.601 4.094 -5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.388 3.032 -4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.290 1.780 -3.587 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.957 0.747 -5.551 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.323 1.725 -6.240 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.222 3.422 -6.990 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.512 2.814 -5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.215 1.560 -7.745 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.776 0.580 -7.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.915 1.487 -9.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.560 2.122 -8.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.954 3.072 -9.178 1.00 0.00 H new ATOM 950 N MET A 61 -2.473 2.268 -3.385 1.00 0.00 N ATOM 951 CA MET A 61 -3.744 1.505 -3.306 1.00 0.00 C ATOM 952 C MET A 61 -4.925 2.409 -3.682 1.00 0.00 C ATOM 953 O MET A 61 -5.525 2.263 -4.730 1.00 0.00 O ATOM 954 CB MET A 61 -3.901 1.010 -1.867 1.00 0.00 C ATOM 955 CG MET A 61 -5.320 0.510 -1.633 1.00 0.00 C ATOM 956 SD MET A 61 -5.249 -1.089 -0.789 1.00 0.00 S ATOM 957 CE MET A 61 -4.386 -1.993 -2.097 1.00 0.00 C ATOM 0 H MET A 61 -2.003 2.401 -2.490 1.00 0.00 H new ATOM 0 HA MET A 61 -3.726 0.664 -3.999 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.189 0.209 -1.671 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.673 1.817 -1.171 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.878 1.228 -1.032 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.846 0.412 -2.583 1.00 0.00 H new ATOM 0 HE1 MET A 61 -4.569 -3.061 -1.983 1.00 0.00 H new ATOM 0 HE2 MET A 61 -4.752 -1.664 -3.069 1.00 0.00 H new ATOM 0 HE3 MET A 61 -3.316 -1.799 -2.028 1.00 0.00 H new ATOM 967 N LEU A 62 -5.268 3.338 -2.832 1.00 0.00 N ATOM 968 CA LEU A 62 -6.413 4.242 -3.139 1.00 0.00 C ATOM 969 C LEU A 62 -6.212 4.848 -4.526 1.00 0.00 C ATOM 970 O LEU A 62 -7.033 4.699 -5.409 1.00 0.00 O ATOM 971 CB LEU A 62 -6.485 5.342 -2.081 1.00 0.00 C ATOM 972 CG LEU A 62 -6.683 4.735 -0.676 1.00 0.00 C ATOM 973 CD1 LEU A 62 -7.652 5.613 0.105 1.00 0.00 C ATOM 974 CD2 LEU A 62 -7.284 3.318 -0.737 1.00 0.00 C ATOM 0 H LEU A 62 -4.806 3.510 -1.939 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.348 3.682 -3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.570 5.934 -2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.308 6.020 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.704 4.681 -0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.801 5.195 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.242 6.619 0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.608 5.654 -0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.406 2.931 0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.255 3.356 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.617 2.664 -1.298 1.00 0.00 H new ATOM 986 N VAL A 63 -5.114 5.510 -4.736 1.00 0.00 N ATOM 987 CA VAL A 63 -4.857 6.094 -6.077 1.00 0.00 C ATOM 988 C VAL A 63 -5.149 5.028 -7.135 1.00 0.00 C ATOM 989 O VAL A 63 -5.695 5.306 -8.183 1.00 0.00 O ATOM 990 CB VAL A 63 -3.392 6.517 -6.171 1.00 0.00 C ATOM 991 CG1 VAL A 63 -3.087 6.988 -7.586 1.00 0.00 C ATOM 992 CG2 VAL A 63 -3.122 7.655 -5.184 1.00 0.00 C ATOM 0 H VAL A 63 -4.385 5.672 -4.041 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.494 6.964 -6.237 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.755 5.667 -5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.042 7.290 -7.652 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.275 6.176 -8.288 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.725 7.836 -7.833 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.076 7.956 -5.252 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.760 8.505 -5.425 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.337 7.316 -4.170 1.00 0.00 H new ATOM 1002 N GLU A 64 -4.782 3.805 -6.860 1.00 0.00 N ATOM 1003 CA GLU A 64 -5.026 2.705 -7.837 1.00 0.00 C ATOM 1004 C GLU A 64 -6.529 2.545 -8.097 1.00 0.00 C ATOM 1005 O GLU A 64 -7.006 2.807 -9.184 1.00 0.00 O ATOM 1006 CB GLU A 64 -4.469 1.392 -7.282 1.00 0.00 C ATOM 1007 CG GLU A 64 -3.154 1.057 -7.988 1.00 0.00 C ATOM 1008 CD GLU A 64 -3.300 -0.269 -8.737 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -4.394 -0.548 -9.198 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -2.315 -0.983 -8.835 1.00 0.00 O ATOM 0 H GLU A 64 -4.321 3.519 -5.996 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.526 2.953 -8.774 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.305 1.479 -6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.189 0.587 -7.431 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.890 1.853 -8.684 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.345 0.989 -7.260 1.00 0.00 H new ATOM 1017 N LEU A 65 -7.283 2.095 -7.124 1.00 0.00 N ATOM 1018 CA LEU A 65 -8.747 1.906 -7.365 1.00 0.00 C ATOM 1019 C LEU A 65 -9.329 3.147 -8.046 1.00 0.00 C ATOM 1020 O LEU A 65 -10.305 3.064 -8.765 1.00 0.00 O ATOM 1021 CB LEU A 65 -9.505 1.653 -6.056 1.00 0.00 C ATOM 1022 CG LEU A 65 -8.727 2.210 -4.872 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -9.698 2.879 -3.897 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -8.007 1.064 -4.172 1.00 0.00 C ATOM 0 H LEU A 65 -6.955 1.854 -6.189 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.865 1.034 -8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.489 2.119 -6.103 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.665 0.583 -5.923 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.000 2.945 -5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.143 3.279 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.221 3.690 -4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.422 2.145 -3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.446 1.452 -3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.738 0.335 -3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.321 0.584 -4.871 1.00 0.00 H new ATOM 1036 N GLN A 66 -8.752 4.299 -7.827 1.00 0.00 N ATOM 1037 CA GLN A 66 -9.303 5.526 -8.472 1.00 0.00 C ATOM 1038 C GLN A 66 -9.402 5.309 -9.984 1.00 0.00 C ATOM 1039 O GLN A 66 -10.426 5.558 -10.588 1.00 0.00 O ATOM 1040 CB GLN A 66 -8.391 6.727 -8.185 1.00 0.00 C ATOM 1041 CG GLN A 66 -8.384 7.065 -6.682 1.00 0.00 C ATOM 1042 CD GLN A 66 -9.673 6.647 -6.017 1.00 0.00 C ATOM 1043 OE1 GLN A 66 -10.755 6.975 -6.462 1.00 0.00 O ATOM 1044 NE2 GLN A 66 -9.586 5.926 -4.950 1.00 0.00 N ATOM 0 H GLN A 66 -7.933 4.443 -7.237 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.294 5.727 -8.066 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.377 6.506 -8.517 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.731 7.592 -8.755 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.545 6.564 -6.199 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -8.235 8.137 -6.549 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -8.670 5.659 -4.588 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.433 5.624 -4.468 1.00 0.00 H new ATOM 1053 N LYS A 67 -8.350 4.844 -10.602 1.00 0.00 N ATOM 1054 CA LYS A 67 -8.398 4.613 -12.074 1.00 0.00 C ATOM 1055 C LYS A 67 -9.322 3.434 -12.371 1.00 0.00 C ATOM 1056 O LYS A 67 -10.217 3.522 -13.188 1.00 0.00 O ATOM 1057 CB LYS A 67 -6.991 4.306 -12.592 1.00 0.00 C ATOM 1058 CG LYS A 67 -6.404 5.559 -13.245 1.00 0.00 C ATOM 1059 CD LYS A 67 -5.170 6.012 -12.463 1.00 0.00 C ATOM 1060 CE LYS A 67 -3.908 5.500 -13.159 1.00 0.00 C ATOM 1061 NZ LYS A 67 -3.605 6.363 -14.336 1.00 0.00 N ATOM 0 H LYS A 67 -7.463 4.615 -10.153 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.777 5.506 -12.571 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.353 3.978 -11.771 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.027 3.490 -13.314 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.135 5.350 -14.280 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.148 6.355 -13.263 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.146 7.100 -12.398 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.214 5.633 -11.442 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.068 5.507 -12.464 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.049 4.467 -13.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.112 5.802 -15.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.492 6.735 -14.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.999 7.155 -14.039 1.00 0.00 H new ATOM 1075 N LEU A 68 -9.113 2.331 -11.713 1.00 0.00 N ATOM 1076 CA LEU A 68 -9.975 1.144 -11.950 1.00 0.00 C ATOM 1077 C LEU A 68 -11.383 1.421 -11.417 1.00 0.00 C ATOM 1078 O LEU A 68 -11.726 0.864 -10.388 1.00 0.00 O ATOM 1079 CB LEU A 68 -9.378 -0.058 -11.218 1.00 0.00 C ATOM 1080 CG LEU A 68 -7.874 -0.125 -11.485 1.00 0.00 C ATOM 1081 CD1 LEU A 68 -7.326 -1.464 -10.991 1.00 0.00 C ATOM 1082 CD2 LEU A 68 -7.617 0.006 -12.988 1.00 0.00 C ATOM 1083 OXT LEU A 68 -12.094 2.184 -12.051 1.00 0.00 O ATOM 0 H LEU A 68 -8.378 2.200 -11.018 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.030 0.934 -13.018 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.564 0.026 -10.147 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.859 -0.977 -11.554 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.376 0.688 -10.957 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.254 -1.511 -11.182 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.509 -1.559 -9.921 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.824 -2.278 -11.518 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.545 -0.042 -13.179 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.116 -0.807 -13.515 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.007 0.960 -13.342 1.00 0.00 H new