USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 747 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 88 HIS : no HD1:sc= -0.415 K(o=-0.41,f=0.16) USER MOD Set 2.1: A 63 LYS NZ :NH3+ -118:sc= 1.08 (180deg=0.279) USER MOD Set 2.2: A 67 SER OG : rot -140:sc= -0.671 USER MOD Set 3.1: A 36 THR OG1 : rot 113:sc= 0.0848 USER MOD Set 3.2: A 38 SER OG : rot 180:sc= 0.107 USER MOD Single : A 1 MET CE :methyl -155:sc= -6.42! (180deg=-9.02!) USER MOD Single : A 1 MET N :NH3+ -126:sc= -1.34! (180deg=-5.64!) USER MOD Single : A 4 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.081) USER MOD Single : A 7 ASN : amide:sc= -0.491 K(o=-0.49,f=-1.4) USER MOD Single : A 8 CYS SG : rot 89:sc= 0.89 USER MOD Single : A 11 GLN : amide:sc= -1.54! K(o=-1.5!,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -3.31 X(o=-3.3,f=-2.9!) USER MOD Single : A 18 LYS NZ :NH3+ -126:sc= 1.09 (180deg=-0.273) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 23 SER OG : rot 180:sc= -1.01 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 169:sc= -0.622 (180deg=-0.996) USER MOD Single : A 28 HIS : no HD1:sc= -0.0711 K(o=-0.071,f=-5.3!) USER MOD Single : A 29 MET CE :methyl 146:sc= -0.312 (180deg=-0.468) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.0401 X(o=0.04,f=-0.0042) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.498 K(o=0.5,f=-0.3) USER MOD Single : A 50 GLN : amide:sc= 1.21 K(o=1.2,f=-0.064) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 55 MET CE :methyl -158:sc= -0.0485 (180deg=-0.726) USER MOD Single : A 58 LYS NZ :NH3+ 167:sc= -0.031 (180deg=-0.219) USER MOD Single : A 59 MET CE :methyl -154:sc= -5.82! (180deg=-9.73!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.234 K(o=-0.23,f=-1.7!) USER MOD Single : A 68 TYR OH : rot 123:sc= -5.06! USER MOD Single : A 70 SER OG : rot 147:sc= 0.167 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 77 HIS : no HE2:sc= 0.0175 X(o=0.017,f=-0.095) USER MOD Single : A 80 TYR OH : rot 165:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00182) USER MOD ----------------------------------------------------------------- ATOM 61 N MET A 1 5.441 -7.184 -8.970 1.00 0.00 N ATOM 62 CA MET A 1 5.153 -6.495 -10.214 1.00 0.00 C ATOM 63 C MET A 1 6.392 -6.426 -11.077 1.00 0.00 C ATOM 64 O MET A 1 7.512 -6.633 -10.610 1.00 0.00 O ATOM 65 CB MET A 1 4.613 -5.079 -9.976 1.00 0.00 C ATOM 66 CG MET A 1 5.593 -4.124 -9.312 1.00 0.00 C ATOM 67 SD MET A 1 5.694 -4.360 -7.527 1.00 0.00 S ATOM 68 CE MET A 1 4.200 -3.520 -7.014 1.00 0.00 C ATOM 0 H1 MET A 1 4.767 -7.966 -8.842 1.00 0.00 H new ATOM 0 H2 MET A 1 6.409 -7.563 -8.999 1.00 0.00 H new ATOM 0 H3 MET A 1 5.353 -6.518 -8.176 1.00 0.00 H new ATOM 0 HA MET A 1 4.380 -7.068 -10.726 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.308 -4.656 -10.933 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.718 -5.146 -9.358 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.582 -4.263 -9.749 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.293 -3.098 -9.522 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.309 -3.179 -5.984 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.023 -2.662 -7.663 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.356 -4.206 -7.081 1.00 0.00 H new ATOM 78 N ASP A 2 6.168 -6.134 -12.333 1.00 0.00 N ATOM 79 CA ASP A 2 7.252 -6.030 -13.303 1.00 0.00 C ATOM 80 C ASP A 2 8.050 -4.752 -13.109 1.00 0.00 C ATOM 81 O ASP A 2 7.551 -3.763 -12.566 1.00 0.00 O ATOM 82 CB ASP A 2 6.726 -6.110 -14.736 1.00 0.00 C ATOM 83 CG ASP A 2 7.846 -6.178 -15.753 1.00 0.00 C ATOM 84 OD1 ASP A 2 8.647 -7.131 -15.692 1.00 0.00 O ATOM 85 OD2 ASP A 2 7.944 -5.272 -16.607 1.00 0.00 O ATOM 0 H ASP A 2 5.240 -5.961 -12.720 1.00 0.00 H new ATOM 0 HA ASP A 2 7.916 -6.877 -13.132 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.090 -6.989 -14.839 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.103 -5.240 -14.942 1.00 0.00 H new ATOM 90 N ALA A 3 9.293 -4.790 -13.563 1.00 0.00 N ATOM 91 CA ALA A 3 10.182 -3.669 -13.462 1.00 0.00 C ATOM 92 C ALA A 3 9.694 -2.535 -14.333 1.00 0.00 C ATOM 93 O ALA A 3 9.598 -1.424 -13.876 1.00 0.00 O ATOM 94 CB ALA A 3 11.600 -4.066 -13.849 1.00 0.00 C ATOM 0 H ALA A 3 9.705 -5.608 -14.012 1.00 0.00 H new ATOM 0 HA ALA A 3 10.195 -3.333 -12.425 1.00 0.00 H new ATOM 0 HB1 ALA A 3 12.256 -3.200 -13.765 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.952 -4.854 -13.183 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.609 -4.429 -14.877 1.00 0.00 H new ATOM 100 N LYS A 4 9.362 -2.808 -15.584 1.00 0.00 N ATOM 101 CA LYS A 4 8.887 -1.750 -16.474 1.00 0.00 C ATOM 102 C LYS A 4 7.718 -0.966 -15.865 1.00 0.00 C ATOM 103 O LYS A 4 7.538 0.212 -16.159 1.00 0.00 O ATOM 104 CB LYS A 4 8.520 -2.305 -17.853 1.00 0.00 C ATOM 105 CG LYS A 4 9.732 -2.719 -18.677 1.00 0.00 C ATOM 106 CD LYS A 4 10.707 -1.563 -18.835 1.00 0.00 C ATOM 107 CE LYS A 4 11.945 -1.978 -19.615 1.00 0.00 C ATOM 108 NZ LYS A 4 11.622 -2.353 -21.021 1.00 0.00 N ATOM 0 H LYS A 4 9.410 -3.736 -16.005 1.00 0.00 H new ATOM 0 HA LYS A 4 9.712 -1.049 -16.602 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.863 -3.166 -17.728 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.956 -1.551 -18.402 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.233 -3.559 -18.196 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.408 -3.062 -19.659 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.213 -0.737 -19.347 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.002 -1.197 -17.851 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.664 -1.159 -19.615 1.00 0.00 H new ATOM 0 HE3 LYS A 4 12.422 -2.821 -19.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.504 -2.481 -21.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.080 -3.241 -21.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.056 -1.599 -21.460 1.00 0.00 H new ATOM 122 N ALA A 5 6.961 -1.603 -14.989 1.00 0.00 N ATOM 123 CA ALA A 5 5.854 -0.944 -14.316 1.00 0.00 C ATOM 124 C ALA A 5 6.337 -0.288 -13.025 1.00 0.00 C ATOM 125 O ALA A 5 6.217 0.926 -12.855 1.00 0.00 O ATOM 126 CB ALA A 5 4.758 -1.958 -14.012 1.00 0.00 C ATOM 0 H ALA A 5 7.093 -2.580 -14.726 1.00 0.00 H new ATOM 0 HA ALA A 5 5.451 -0.170 -14.970 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.931 -1.459 -13.508 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.402 -2.399 -14.943 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.156 -2.742 -13.368 1.00 0.00 H new ATOM 132 N ARG A 6 6.895 -1.096 -12.126 1.00 0.00 N ATOM 133 CA ARG A 6 7.391 -0.603 -10.836 1.00 0.00 C ATOM 134 C ARG A 6 8.480 0.465 -10.993 1.00 0.00 C ATOM 135 O ARG A 6 8.657 1.332 -10.138 1.00 0.00 O ATOM 136 CB ARG A 6 7.947 -1.782 -10.043 1.00 0.00 C ATOM 137 CG ARG A 6 8.233 -1.479 -8.585 1.00 0.00 C ATOM 138 CD ARG A 6 8.647 -2.735 -7.852 1.00 0.00 C ATOM 139 NE ARG A 6 9.976 -3.200 -8.255 1.00 0.00 N ATOM 140 CZ ARG A 6 10.419 -4.441 -8.077 1.00 0.00 C ATOM 141 NH1 ARG A 6 9.619 -5.365 -7.574 1.00 0.00 N ATOM 142 NH2 ARG A 6 11.657 -4.759 -8.414 1.00 0.00 N ATOM 0 H ARG A 6 7.017 -2.099 -12.265 1.00 0.00 H new ATOM 0 HA ARG A 6 6.557 -0.136 -10.313 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.237 -2.607 -10.097 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.867 -2.122 -10.518 1.00 0.00 H new ATOM 0 HG2 ARG A 6 9.023 -0.731 -8.511 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.346 -1.053 -8.116 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.641 -2.546 -6.779 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.916 -3.521 -8.041 1.00 0.00 H new ATOM 0 HE ARG A 6 10.602 -2.529 -8.701 1.00 0.00 H new ATOM 0 HH11 ARG A 6 8.660 -5.127 -7.322 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.961 -6.316 -7.438 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.275 -4.052 -8.812 1.00 0.00 H new ATOM 0 HH22 ARG A 6 11.994 -5.712 -8.276 1.00 0.00 H new ATOM 156 N ASN A 7 9.210 0.374 -12.080 1.00 0.00 N ATOM 157 CA ASN A 7 10.298 1.283 -12.380 1.00 0.00 C ATOM 158 C ASN A 7 9.772 2.573 -12.954 1.00 0.00 C ATOM 159 O ASN A 7 10.145 3.623 -12.490 1.00 0.00 O ATOM 160 CB ASN A 7 11.279 0.584 -13.326 1.00 0.00 C ATOM 161 CG ASN A 7 12.419 1.426 -13.825 1.00 0.00 C ATOM 162 OD1 ASN A 7 12.952 2.286 -13.128 1.00 0.00 O ATOM 163 ND2 ASN A 7 12.843 1.114 -15.034 1.00 0.00 N ATOM 0 H ASN A 7 9.065 -0.342 -12.792 1.00 0.00 H new ATOM 0 HA ASN A 7 10.829 1.546 -11.465 1.00 0.00 H new ATOM 0 HB2 ASN A 7 11.691 -0.285 -12.814 1.00 0.00 H new ATOM 0 HB3 ASN A 7 10.722 0.213 -14.187 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.650 1.595 -15.431 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.364 0.391 -15.572 1.00 0.00 H new ATOM 170 N CYS A 8 8.865 2.509 -13.917 1.00 0.00 N ATOM 171 CA CYS A 8 8.279 3.738 -14.468 1.00 0.00 C ATOM 172 C CYS A 8 7.628 4.536 -13.351 1.00 0.00 C ATOM 173 O CYS A 8 7.472 5.753 -13.439 1.00 0.00 O ATOM 174 CB CYS A 8 7.257 3.413 -15.565 1.00 0.00 C ATOM 175 SG CYS A 8 7.984 2.860 -17.127 1.00 0.00 S ATOM 0 H CYS A 8 8.520 1.643 -14.331 1.00 0.00 H new ATOM 0 HA CYS A 8 9.072 4.335 -14.919 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.583 2.639 -15.198 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.652 4.299 -15.754 1.00 0.00 H new ATOM 0 HG CYS A 8 8.141 1.570 -17.100 1.00 0.00 H new ATOM 181 N LEU A 9 7.302 3.835 -12.280 1.00 0.00 N ATOM 182 CA LEU A 9 6.719 4.438 -11.110 1.00 0.00 C ATOM 183 C LEU A 9 7.773 5.207 -10.321 1.00 0.00 C ATOM 184 O LEU A 9 7.685 6.423 -10.171 1.00 0.00 O ATOM 185 CB LEU A 9 6.092 3.337 -10.244 1.00 0.00 C ATOM 186 CG LEU A 9 6.069 3.608 -8.746 1.00 0.00 C ATOM 187 CD1 LEU A 9 4.957 4.571 -8.371 1.00 0.00 C ATOM 188 CD2 LEU A 9 5.944 2.305 -7.973 1.00 0.00 C ATOM 0 H LEU A 9 7.438 2.827 -12.204 1.00 0.00 H new ATOM 0 HA LEU A 9 5.948 5.147 -11.412 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.068 3.174 -10.581 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.636 2.409 -10.418 1.00 0.00 H new ATOM 0 HG LEU A 9 7.013 4.081 -8.476 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.971 4.741 -7.294 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.105 5.518 -8.890 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.995 4.146 -8.659 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.929 2.516 -6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.020 1.801 -8.256 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.793 1.662 -8.204 1.00 0.00 H new ATOM 200 N LEU A 10 8.765 4.482 -9.815 1.00 0.00 N ATOM 201 CA LEU A 10 9.831 5.082 -9.012 1.00 0.00 C ATOM 202 C LEU A 10 10.810 5.931 -9.848 1.00 0.00 C ATOM 203 O LEU A 10 11.386 6.894 -9.348 1.00 0.00 O ATOM 204 CB LEU A 10 10.603 3.972 -8.306 1.00 0.00 C ATOM 205 CG LEU A 10 9.847 3.256 -7.190 1.00 0.00 C ATOM 206 CD1 LEU A 10 10.567 1.976 -6.799 1.00 0.00 C ATOM 207 CD2 LEU A 10 9.691 4.168 -5.987 1.00 0.00 C ATOM 0 H LEU A 10 8.855 3.474 -9.946 1.00 0.00 H new ATOM 0 HA LEU A 10 9.360 5.753 -8.294 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.905 3.234 -9.049 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.516 4.396 -7.889 1.00 0.00 H new ATOM 0 HG LEU A 10 8.854 2.995 -7.555 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.015 1.477 -6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.631 1.316 -7.664 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.571 2.216 -6.450 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.150 3.643 -5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.676 4.457 -5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.135 5.060 -6.276 1.00 0.00 H new ATOM 219 N GLN A 11 11.004 5.555 -11.105 1.00 0.00 N ATOM 220 CA GLN A 11 11.920 6.256 -12.015 1.00 0.00 C ATOM 221 C GLN A 11 11.493 7.705 -12.208 1.00 0.00 C ATOM 222 O GLN A 11 12.334 8.593 -12.339 1.00 0.00 O ATOM 223 CB GLN A 11 11.957 5.542 -13.367 1.00 0.00 C ATOM 224 CG GLN A 11 12.953 6.101 -14.365 1.00 0.00 C ATOM 225 CD GLN A 11 12.931 5.338 -15.675 1.00 0.00 C ATOM 226 OE1 GLN A 11 13.652 5.662 -16.615 1.00 0.00 O ATOM 227 NE2 GLN A 11 12.102 4.309 -15.737 1.00 0.00 N ATOM 0 H GLN A 11 10.534 4.756 -11.529 1.00 0.00 H new ATOM 0 HA GLN A 11 12.916 6.248 -11.572 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.187 4.490 -13.198 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.962 5.583 -13.809 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.728 7.151 -14.553 1.00 0.00 H new ATOM 0 HG3 GLN A 11 13.955 6.061 -13.939 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.520 4.074 -14.933 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.045 3.751 -16.589 1.00 0.00 H new ATOM 236 N HIS A 12 10.185 7.944 -12.189 1.00 0.00 N ATOM 237 CA HIS A 12 9.655 9.289 -12.325 1.00 0.00 C ATOM 238 C HIS A 12 9.749 10.025 -11.002 1.00 0.00 C ATOM 239 O HIS A 12 8.861 10.772 -10.633 1.00 0.00 O ATOM 240 CB HIS A 12 8.221 9.279 -12.852 1.00 0.00 C ATOM 241 CG HIS A 12 8.140 9.116 -14.338 1.00 0.00 C ATOM 242 ND1 HIS A 12 8.752 9.974 -15.224 1.00 0.00 N ATOM 243 CD2 HIS A 12 7.512 8.188 -15.091 1.00 0.00 C ATOM 244 CE1 HIS A 12 8.501 9.583 -16.458 1.00 0.00 C ATOM 245 NE2 HIS A 12 7.752 8.497 -16.405 1.00 0.00 N ATOM 0 H HIS A 12 9.475 7.220 -12.080 1.00 0.00 H new ATOM 0 HA HIS A 12 10.261 9.819 -13.060 1.00 0.00 H new ATOM 0 HB2 HIS A 12 7.671 8.469 -12.374 1.00 0.00 H new ATOM 0 HB3 HIS A 12 7.730 10.210 -12.568 1.00 0.00 H new ATOM 0 HD2 HIS A 12 6.928 7.356 -14.726 1.00 0.00 H new ATOM 0 HE1 HIS A 12 8.849 10.068 -17.358 1.00 0.00 H new ATOM 0 HE2 HIS A 12 7.408 7.973 -17.210 1.00 0.00 H new ATOM 254 N ARG A 13 10.870 9.789 -10.322 1.00 0.00 N ATOM 255 CA ARG A 13 11.207 10.405 -9.033 1.00 0.00 C ATOM 256 C ARG A 13 10.959 11.912 -9.052 1.00 0.00 C ATOM 257 O ARG A 13 10.575 12.504 -8.037 1.00 0.00 O ATOM 258 CB ARG A 13 12.670 10.132 -8.674 1.00 0.00 C ATOM 259 CG ARG A 13 12.868 8.919 -7.775 1.00 0.00 C ATOM 260 CD ARG A 13 12.319 9.166 -6.382 1.00 0.00 C ATOM 261 NE ARG A 13 12.518 8.025 -5.491 1.00 0.00 N ATOM 262 CZ ARG A 13 12.424 8.092 -4.169 1.00 0.00 C ATOM 263 NH1 ARG A 13 12.171 9.246 -3.577 1.00 0.00 N ATOM 264 NH2 ARG A 13 12.597 7.007 -3.440 1.00 0.00 N ATOM 0 H ARG A 13 11.589 9.148 -10.658 1.00 0.00 H new ATOM 0 HA ARG A 13 10.559 9.958 -8.279 1.00 0.00 H new ATOM 0 HB2 ARG A 13 13.239 9.988 -9.593 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.082 11.011 -8.178 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.372 8.054 -8.215 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.930 8.680 -7.712 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.802 10.045 -5.955 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.254 9.389 -6.449 1.00 0.00 H new ATOM 0 HE ARG A 13 12.743 7.123 -5.910 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.047 10.090 -4.136 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.100 9.293 -2.561 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.803 6.116 -3.892 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.525 7.058 -2.424 1.00 0.00 H new ATOM 278 N GLU A 14 11.168 12.523 -10.215 1.00 0.00 N ATOM 279 CA GLU A 14 10.940 13.953 -10.394 1.00 0.00 C ATOM 280 C GLU A 14 9.498 14.305 -10.009 1.00 0.00 C ATOM 281 O GLU A 14 9.212 15.422 -9.579 1.00 0.00 O ATOM 282 CB GLU A 14 11.228 14.352 -11.845 1.00 0.00 C ATOM 283 CG GLU A 14 11.057 15.836 -12.124 1.00 0.00 C ATOM 284 CD GLU A 14 11.366 16.199 -13.562 1.00 0.00 C ATOM 285 OE1 GLU A 14 11.796 15.315 -14.327 1.00 0.00 O ATOM 286 OE2 GLU A 14 11.188 17.374 -13.934 1.00 0.00 O ATOM 0 H GLU A 14 11.498 12.045 -11.054 1.00 0.00 H new ATOM 0 HA GLU A 14 11.616 14.509 -9.744 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.248 14.061 -12.095 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.566 13.790 -12.504 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.034 16.130 -11.891 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.710 16.404 -11.462 1.00 0.00 H new ATOM 293 N ALA A 15 8.603 13.330 -10.144 1.00 0.00 N ATOM 294 CA ALA A 15 7.206 13.506 -9.786 1.00 0.00 C ATOM 295 C ALA A 15 6.826 12.571 -8.633 1.00 0.00 C ATOM 296 O ALA A 15 5.801 12.760 -7.988 1.00 0.00 O ATOM 297 CB ALA A 15 6.320 13.270 -11.001 1.00 0.00 C ATOM 0 H ALA A 15 8.828 12.402 -10.503 1.00 0.00 H new ATOM 0 HA ALA A 15 7.054 14.531 -9.448 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.275 13.405 -10.721 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.580 13.981 -11.785 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.469 12.255 -11.368 1.00 0.00 H new ATOM 303 N LEU A 16 7.676 11.567 -8.388 1.00 0.00 N ATOM 304 CA LEU A 16 7.482 10.575 -7.317 1.00 0.00 C ATOM 305 C LEU A 16 7.174 11.263 -5.977 1.00 0.00 C ATOM 306 O LEU A 16 6.017 11.427 -5.587 1.00 0.00 O ATOM 307 CB LEU A 16 8.771 9.742 -7.191 1.00 0.00 C ATOM 308 CG LEU A 16 8.682 8.344 -6.558 1.00 0.00 C ATOM 309 CD1 LEU A 16 8.144 8.392 -5.145 1.00 0.00 C ATOM 310 CD2 LEU A 16 7.847 7.425 -7.425 1.00 0.00 C ATOM 0 H LEU A 16 8.526 11.416 -8.931 1.00 0.00 H new ATOM 0 HA LEU A 16 6.635 9.936 -7.566 1.00 0.00 H new ATOM 0 HB2 LEU A 16 9.190 9.627 -8.190 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.486 10.324 -6.610 1.00 0.00 H new ATOM 0 HG LEU A 16 9.695 7.945 -6.498 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.099 7.382 -4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.801 9.003 -4.526 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.144 8.826 -5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.793 6.439 -6.964 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.842 7.834 -7.526 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.304 7.340 -8.411 1.00 0.00 H new ATOM 322 N GLU A 17 8.229 11.657 -5.282 1.00 0.00 N ATOM 323 CA GLU A 17 8.127 12.324 -3.982 1.00 0.00 C ATOM 324 C GLU A 17 7.328 13.636 -4.084 1.00 0.00 C ATOM 325 O GLU A 17 6.850 14.173 -3.082 1.00 0.00 O ATOM 326 CB GLU A 17 9.547 12.606 -3.464 1.00 0.00 C ATOM 327 CG GLU A 17 9.617 13.299 -2.112 1.00 0.00 C ATOM 328 CD GLU A 17 9.522 12.346 -0.938 1.00 0.00 C ATOM 329 OE1 GLU A 17 9.458 11.120 -1.154 1.00 0.00 O ATOM 330 OE2 GLU A 17 9.535 12.823 0.220 1.00 0.00 O ATOM 0 H GLU A 17 9.189 11.525 -5.601 1.00 0.00 H new ATOM 0 HA GLU A 17 7.595 11.672 -3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.087 11.661 -3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.069 13.221 -4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.553 13.853 -2.045 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.809 14.028 -2.044 1.00 0.00 H new ATOM 337 N LYS A 18 7.197 14.150 -5.294 1.00 0.00 N ATOM 338 CA LYS A 18 6.482 15.396 -5.526 1.00 0.00 C ATOM 339 C LYS A 18 4.967 15.242 -5.465 1.00 0.00 C ATOM 340 O LYS A 18 4.289 16.073 -4.861 1.00 0.00 O ATOM 341 CB LYS A 18 6.854 15.981 -6.890 1.00 0.00 C ATOM 342 CG LYS A 18 8.045 16.927 -6.865 1.00 0.00 C ATOM 343 CD LYS A 18 9.349 16.214 -6.548 1.00 0.00 C ATOM 344 CE LYS A 18 10.544 17.087 -6.888 1.00 0.00 C ATOM 345 NZ LYS A 18 10.596 17.421 -8.339 1.00 0.00 N ATOM 0 H LYS A 18 7.579 13.722 -6.137 1.00 0.00 H new ATOM 0 HA LYS A 18 6.784 16.065 -4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.070 15.162 -7.576 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.991 16.513 -7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.132 17.422 -7.832 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.871 17.706 -6.122 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.376 15.951 -5.491 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.404 15.282 -7.110 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.498 18.007 -6.306 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.462 16.573 -6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.525 17.155 -8.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.851 16.899 -8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.449 18.443 -8.466 1.00 0.00 H new ATOM 359 N ASP A 19 4.427 14.230 -6.134 1.00 0.00 N ATOM 360 CA ASP A 19 2.976 14.077 -6.178 1.00 0.00 C ATOM 361 C ASP A 19 2.447 12.736 -5.682 1.00 0.00 C ATOM 362 O ASP A 19 1.232 12.527 -5.692 1.00 0.00 O ATOM 363 CB ASP A 19 2.469 14.344 -7.595 1.00 0.00 C ATOM 364 CG ASP A 19 2.391 15.824 -7.907 1.00 0.00 C ATOM 365 OD1 ASP A 19 1.607 16.535 -7.242 1.00 0.00 O ATOM 366 OD2 ASP A 19 3.112 16.290 -8.819 1.00 0.00 O ATOM 0 H ASP A 19 4.955 13.520 -6.641 1.00 0.00 H new ATOM 0 HA ASP A 19 2.588 14.815 -5.475 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.130 13.858 -8.313 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.482 13.897 -7.716 1.00 0.00 H new ATOM 371 N ILE A 20 3.305 11.832 -5.220 1.00 0.00 N ATOM 372 CA ILE A 20 2.793 10.564 -4.701 1.00 0.00 C ATOM 373 C ILE A 20 2.214 10.788 -3.300 1.00 0.00 C ATOM 374 O ILE A 20 2.889 10.646 -2.278 1.00 0.00 O ATOM 375 CB ILE A 20 3.846 9.427 -4.686 1.00 0.00 C ATOM 376 CG1 ILE A 20 4.215 9.019 -6.109 1.00 0.00 C ATOM 377 CG2 ILE A 20 3.336 8.199 -3.942 1.00 0.00 C ATOM 378 CD1 ILE A 20 4.866 7.655 -6.178 1.00 0.00 C ATOM 0 H ILE A 20 4.319 11.943 -5.192 1.00 0.00 H new ATOM 0 HA ILE A 20 2.012 10.229 -5.383 1.00 0.00 H new ATOM 0 HB ILE A 20 4.725 9.813 -4.169 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.317 9.019 -6.727 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.892 9.762 -6.531 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.102 7.423 -3.953 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.106 8.468 -2.911 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.435 7.826 -4.429 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.106 7.418 -7.215 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.781 7.658 -5.585 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.181 6.904 -5.784 1.00 0.00 H new ATOM 390 N LYS A 21 0.951 11.176 -3.290 1.00 0.00 N ATOM 391 CA LYS A 21 0.215 11.460 -2.070 1.00 0.00 C ATOM 392 C LYS A 21 -0.411 10.188 -1.512 1.00 0.00 C ATOM 393 O LYS A 21 -0.849 9.323 -2.268 1.00 0.00 O ATOM 394 CB LYS A 21 -0.865 12.502 -2.378 1.00 0.00 C ATOM 395 CG LYS A 21 -1.778 12.857 -1.209 1.00 0.00 C ATOM 396 CD LYS A 21 -2.806 13.895 -1.617 1.00 0.00 C ATOM 397 CE LYS A 21 -3.764 14.219 -0.481 1.00 0.00 C ATOM 398 NZ LYS A 21 -4.766 15.239 -0.880 1.00 0.00 N ATOM 0 H LYS A 21 0.401 11.304 -4.139 1.00 0.00 H new ATOM 0 HA LYS A 21 0.897 11.852 -1.315 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.379 13.413 -2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.480 12.133 -3.199 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.284 11.960 -0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.182 13.237 -0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.297 14.805 -1.934 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.370 13.530 -2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.276 13.310 -0.167 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.200 14.580 0.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.401 15.433 -0.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.278 16.115 -1.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.322 14.884 -1.684 1.00 0.00 H new ATOM 412 N THR A 22 -0.453 10.073 -0.192 1.00 0.00 N ATOM 413 CA THR A 22 -1.038 8.902 0.432 1.00 0.00 C ATOM 414 C THR A 22 -2.479 9.214 0.879 1.00 0.00 C ATOM 415 O THR A 22 -3.365 9.301 0.031 1.00 0.00 O ATOM 416 CB THR A 22 -0.149 8.405 1.611 1.00 0.00 C ATOM 417 OG1 THR A 22 -0.846 7.451 2.422 1.00 0.00 O ATOM 418 CG2 THR A 22 0.333 9.568 2.472 1.00 0.00 C ATOM 0 H THR A 22 -0.092 10.770 0.459 1.00 0.00 H new ATOM 0 HA THR A 22 -1.084 8.089 -0.293 1.00 0.00 H new ATOM 0 HB THR A 22 0.721 7.917 1.172 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.264 7.155 3.153 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.950 9.187 3.285 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.920 10.254 1.861 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.527 10.095 2.885 1.00 0.00 H new ATOM 426 N SER A 23 -2.691 9.431 2.179 1.00 0.00 N ATOM 427 CA SER A 23 -4.005 9.766 2.738 1.00 0.00 C ATOM 428 C SER A 23 -5.160 8.978 2.087 1.00 0.00 C ATOM 429 O SER A 23 -5.309 7.777 2.314 1.00 0.00 O ATOM 430 CB SER A 23 -4.231 11.282 2.623 1.00 0.00 C ATOM 431 OG SER A 23 -5.479 11.681 3.170 1.00 0.00 O ATOM 0 H SER A 23 -1.951 9.379 2.879 1.00 0.00 H new ATOM 0 HA SER A 23 -4.005 9.471 3.787 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.426 11.808 3.137 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.185 11.576 1.574 1.00 0.00 H new ATOM 0 HG SER A 23 -5.581 12.651 3.078 1.00 0.00 H new ATOM 437 N TYR A 24 -5.979 9.672 1.300 1.00 0.00 N ATOM 438 CA TYR A 24 -7.139 9.072 0.635 1.00 0.00 C ATOM 439 C TYR A 24 -6.767 8.011 -0.399 1.00 0.00 C ATOM 440 O TYR A 24 -7.486 7.027 -0.558 1.00 0.00 O ATOM 441 CB TYR A 24 -7.975 10.161 -0.017 1.00 0.00 C ATOM 442 CG TYR A 24 -8.887 10.887 0.945 1.00 0.00 C ATOM 443 CD1 TYR A 24 -8.374 11.549 2.053 1.00 0.00 C ATOM 444 CD2 TYR A 24 -10.263 10.889 0.761 1.00 0.00 C ATOM 445 CE1 TYR A 24 -9.203 12.196 2.951 1.00 0.00 C ATOM 446 CE2 TYR A 24 -11.104 11.541 1.651 1.00 0.00 C ATOM 447 CZ TYR A 24 -10.569 12.190 2.751 1.00 0.00 C ATOM 448 OH TYR A 24 -11.399 12.824 3.659 1.00 0.00 O ATOM 0 H TYR A 24 -5.859 10.666 1.104 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.714 8.561 1.408 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -7.309 10.884 -0.488 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -8.577 9.718 -0.810 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.306 11.559 2.216 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.686 10.374 -0.089 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.783 12.705 3.806 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.171 11.542 1.487 1.00 0.00 H new ATOM 0 HH TYR A 24 -12.331 12.728 3.372 1.00 0.00 H new ATOM 458 N ILE A 25 -5.645 8.192 -1.083 1.00 0.00 N ATOM 459 CA ILE A 25 -5.195 7.213 -2.068 1.00 0.00 C ATOM 460 C ILE A 25 -4.937 5.888 -1.362 1.00 0.00 C ATOM 461 O ILE A 25 -5.292 4.816 -1.849 1.00 0.00 O ATOM 462 CB ILE A 25 -3.914 7.691 -2.792 1.00 0.00 C ATOM 463 CG1 ILE A 25 -4.251 8.862 -3.706 1.00 0.00 C ATOM 464 CG2 ILE A 25 -3.265 6.560 -3.576 1.00 0.00 C ATOM 465 CD1 ILE A 25 -3.066 9.412 -4.469 1.00 0.00 C ATOM 0 H ILE A 25 -5.033 9.001 -0.977 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.971 7.089 -2.823 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.193 8.019 -2.043 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.013 8.545 -4.418 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.687 9.662 -3.108 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.368 6.930 -4.073 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.996 5.753 -2.895 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.965 6.186 -4.323 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.391 10.242 -5.096 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.311 9.762 -3.765 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.642 8.628 -5.096 1.00 0.00 H new ATOM 477 N MET A 26 -4.355 5.992 -0.181 1.00 0.00 N ATOM 478 CA MET A 26 -4.072 4.842 0.652 1.00 0.00 C ATOM 479 C MET A 26 -5.356 4.313 1.288 1.00 0.00 C ATOM 480 O MET A 26 -5.448 3.144 1.651 1.00 0.00 O ATOM 481 CB MET A 26 -3.077 5.253 1.741 1.00 0.00 C ATOM 482 CG MET A 26 -2.919 4.242 2.861 1.00 0.00 C ATOM 483 SD MET A 26 -1.971 4.897 4.242 1.00 0.00 S ATOM 484 CE MET A 26 -2.133 3.569 5.435 1.00 0.00 C ATOM 0 H MET A 26 -4.065 6.881 0.227 1.00 0.00 H new ATOM 0 HA MET A 26 -3.644 4.048 0.040 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.103 5.422 1.281 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.397 6.203 2.168 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.904 3.935 3.212 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.426 3.350 2.475 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.444 3.737 6.263 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.155 3.542 5.813 1.00 0.00 H new ATOM 0 HE3 MET A 26 -1.899 2.619 4.955 1.00 0.00 H new ATOM 494 N ASP A 27 -6.356 5.174 1.411 1.00 0.00 N ATOM 495 CA ASP A 27 -7.620 4.768 2.014 1.00 0.00 C ATOM 496 C ASP A 27 -8.387 3.893 1.041 1.00 0.00 C ATOM 497 O ASP A 27 -8.947 2.863 1.415 1.00 0.00 O ATOM 498 CB ASP A 27 -8.441 6.004 2.413 1.00 0.00 C ATOM 499 CG ASP A 27 -9.614 5.690 3.329 1.00 0.00 C ATOM 500 OD1 ASP A 27 -9.838 4.507 3.651 1.00 0.00 O ATOM 501 OD2 ASP A 27 -10.323 6.635 3.730 1.00 0.00 O ATOM 0 H ASP A 27 -6.320 6.147 1.106 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.423 4.193 2.919 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.786 6.720 2.909 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.815 6.487 1.511 1.00 0.00 H new ATOM 506 N HIS A 28 -8.367 4.299 -0.220 1.00 0.00 N ATOM 507 CA HIS A 28 -9.029 3.554 -1.280 1.00 0.00 C ATOM 508 C HIS A 28 -8.353 2.203 -1.497 1.00 0.00 C ATOM 509 O HIS A 28 -9.014 1.230 -1.839 1.00 0.00 O ATOM 510 CB HIS A 28 -9.025 4.348 -2.587 1.00 0.00 C ATOM 511 CG HIS A 28 -9.823 5.616 -2.525 1.00 0.00 C ATOM 512 ND1 HIS A 28 -11.169 5.647 -2.227 1.00 0.00 N ATOM 513 CD2 HIS A 28 -9.459 6.901 -2.733 1.00 0.00 C ATOM 514 CE1 HIS A 28 -11.597 6.895 -2.260 1.00 0.00 C ATOM 515 NE2 HIS A 28 -10.577 7.676 -2.562 1.00 0.00 N ATOM 0 H HIS A 28 -7.896 5.147 -0.535 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.061 3.387 -0.972 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.996 4.590 -2.852 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.420 3.719 -3.385 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.470 7.252 -2.987 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.609 7.221 -2.072 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.614 8.691 -2.653 1.00 0.00 H new ATOM 524 N MET A 29 -7.032 2.145 -1.305 1.00 0.00 N ATOM 525 CA MET A 29 -6.297 0.893 -1.504 1.00 0.00 C ATOM 526 C MET A 29 -6.584 -0.126 -0.393 1.00 0.00 C ATOM 527 O MET A 29 -6.667 -1.331 -0.647 1.00 0.00 O ATOM 528 CB MET A 29 -4.793 1.154 -1.616 1.00 0.00 C ATOM 529 CG MET A 29 -4.025 -0.057 -2.110 1.00 0.00 C ATOM 530 SD MET A 29 -2.269 0.275 -2.367 1.00 0.00 S ATOM 531 CE MET A 29 -1.737 -1.326 -2.978 1.00 0.00 C ATOM 0 H MET A 29 -6.457 2.937 -1.017 1.00 0.00 H new ATOM 0 HA MET A 29 -6.648 0.463 -2.442 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.623 1.989 -2.295 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.406 1.452 -0.641 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.134 -0.868 -1.389 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.464 -0.402 -3.046 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.943 -1.190 -3.712 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.365 -1.927 -2.148 1.00 0.00 H new ATOM 0 HE3 MET A 29 -2.580 -1.835 -3.445 1.00 0.00 H new ATOM 541 N ILE A 30 -6.751 0.347 0.836 1.00 0.00 N ATOM 542 CA ILE A 30 -7.047 -0.544 1.953 1.00 0.00 C ATOM 543 C ILE A 30 -8.501 -0.980 1.861 1.00 0.00 C ATOM 544 O ILE A 30 -8.832 -2.133 2.125 1.00 0.00 O ATOM 545 CB ILE A 30 -6.803 0.138 3.314 1.00 0.00 C ATOM 546 CG1 ILE A 30 -5.434 0.809 3.348 1.00 0.00 C ATOM 547 CG2 ILE A 30 -6.904 -0.860 4.455 1.00 0.00 C ATOM 548 CD1 ILE A 30 -5.114 1.455 4.677 1.00 0.00 C ATOM 0 H ILE A 30 -6.687 1.334 1.084 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.380 -1.403 1.889 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.576 0.896 3.440 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.669 0.067 3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.389 1.566 2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.727 -0.349 5.402 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.899 -1.304 4.463 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.158 -1.643 4.320 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.126 1.913 4.630 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.858 2.220 4.898 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.127 0.699 5.462 1.00 0.00 H new ATOM 560 N SER A 31 -9.355 -0.048 1.441 1.00 0.00 N ATOM 561 CA SER A 31 -10.771 -0.325 1.267 1.00 0.00 C ATOM 562 C SER A 31 -10.948 -1.307 0.106 1.00 0.00 C ATOM 563 O SER A 31 -11.933 -2.046 0.037 1.00 0.00 O ATOM 564 CB SER A 31 -11.543 0.973 1.001 1.00 0.00 C ATOM 565 OG SER A 31 -12.945 0.757 1.009 1.00 0.00 O ATOM 0 H SER A 31 -9.084 0.909 1.215 1.00 0.00 H new ATOM 0 HA SER A 31 -11.170 -0.769 2.179 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.284 1.713 1.758 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.243 1.385 0.037 1.00 0.00 H new ATOM 0 HG SER A 31 -13.407 1.604 0.838 1.00 0.00 H new ATOM 571 N ASP A 32 -9.957 -1.334 -0.785 1.00 0.00 N ATOM 572 CA ASP A 32 -9.970 -2.251 -1.907 1.00 0.00 C ATOM 573 C ASP A 32 -9.618 -3.636 -1.382 1.00 0.00 C ATOM 574 O ASP A 32 -10.055 -4.654 -1.920 1.00 0.00 O ATOM 575 CB ASP A 32 -8.966 -1.810 -2.984 1.00 0.00 C ATOM 576 CG ASP A 32 -9.263 -2.383 -4.362 1.00 0.00 C ATOM 577 OD1 ASP A 32 -9.341 -3.621 -4.506 1.00 0.00 O ATOM 578 OD2 ASP A 32 -9.408 -1.593 -5.317 1.00 0.00 O ATOM 0 H ASP A 32 -9.138 -0.728 -0.745 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.957 -2.262 -2.369 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.965 -0.722 -3.044 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.964 -2.114 -2.681 1.00 0.00 H new ATOM 583 N GLY A 33 -8.848 -3.665 -0.290 1.00 0.00 N ATOM 584 CA GLY A 33 -8.484 -4.929 0.315 1.00 0.00 C ATOM 585 C GLY A 33 -7.072 -5.372 -0.017 1.00 0.00 C ATOM 586 O GLY A 33 -6.651 -6.447 0.400 1.00 0.00 O ATOM 0 H GLY A 33 -8.476 -2.839 0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.586 -4.848 1.397 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.184 -5.696 -0.015 1.00 0.00 H new ATOM 590 N PHE A 34 -6.330 -4.556 -0.762 1.00 0.00 N ATOM 591 CA PHE A 34 -4.965 -4.919 -1.116 1.00 0.00 C ATOM 592 C PHE A 34 -4.006 -4.565 0.008 1.00 0.00 C ATOM 593 O PHE A 34 -2.933 -5.160 0.134 1.00 0.00 O ATOM 594 CB PHE A 34 -4.540 -4.275 -2.434 1.00 0.00 C ATOM 595 CG PHE A 34 -5.097 -4.993 -3.626 1.00 0.00 C ATOM 596 CD1 PHE A 34 -6.455 -4.974 -3.907 1.00 0.00 C ATOM 597 CD2 PHE A 34 -4.258 -5.713 -4.457 1.00 0.00 C ATOM 598 CE1 PHE A 34 -6.962 -5.660 -4.992 1.00 0.00 C ATOM 599 CE2 PHE A 34 -4.762 -6.399 -5.546 1.00 0.00 C ATOM 600 CZ PHE A 34 -6.116 -6.371 -5.813 1.00 0.00 C ATOM 0 H PHE A 34 -6.645 -3.656 -1.125 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.932 -5.999 -1.259 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.871 -3.237 -2.451 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.452 -4.264 -2.496 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.124 -4.416 -3.269 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.198 -5.740 -4.253 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -8.022 -5.639 -5.197 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.096 -6.957 -6.188 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.511 -6.906 -6.664 1.00 0.00 H new ATOM 610 N LEU A 35 -4.412 -3.637 0.857 1.00 0.00 N ATOM 611 CA LEU A 35 -3.597 -3.268 2.002 1.00 0.00 C ATOM 612 C LEU A 35 -4.273 -3.758 3.271 1.00 0.00 C ATOM 613 O LEU A 35 -5.402 -3.380 3.574 1.00 0.00 O ATOM 614 CB LEU A 35 -3.340 -1.757 2.066 1.00 0.00 C ATOM 615 CG LEU A 35 -2.490 -1.192 0.929 1.00 0.00 C ATOM 616 CD1 LEU A 35 -2.069 0.238 1.234 1.00 0.00 C ATOM 617 CD2 LEU A 35 -1.279 -2.073 0.690 1.00 0.00 C ATOM 0 H LEU A 35 -5.293 -3.129 0.777 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.622 -3.743 1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.300 -1.241 2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.850 -1.528 3.012 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.090 -1.179 0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.465 0.622 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.956 0.860 1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.485 0.257 2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.682 -1.659 -0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.676 -2.117 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.607 -3.078 0.424 1.00 0.00 H new ATOM 629 N THR A 36 -3.583 -4.623 3.991 1.00 0.00 N ATOM 630 CA THR A 36 -4.112 -5.195 5.217 1.00 0.00 C ATOM 631 C THR A 36 -3.895 -4.264 6.401 1.00 0.00 C ATOM 632 O THR A 36 -3.276 -3.212 6.263 1.00 0.00 O ATOM 633 CB THR A 36 -3.461 -6.559 5.503 1.00 0.00 C ATOM 634 OG1 THR A 36 -2.038 -6.452 5.350 1.00 0.00 O ATOM 635 CG2 THR A 36 -3.989 -7.623 4.556 1.00 0.00 C ATOM 0 H THR A 36 -2.648 -4.947 3.746 1.00 0.00 H new ATOM 0 HA THR A 36 -5.184 -5.332 5.079 1.00 0.00 H new ATOM 0 HB THR A 36 -3.707 -6.850 6.524 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.606 -6.567 6.222 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.513 -8.578 4.779 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.068 -7.718 4.680 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.766 -7.338 3.528 1.00 0.00 H new ATOM 643 N ILE A 37 -4.411 -4.652 7.558 1.00 0.00 N ATOM 644 CA ILE A 37 -4.277 -3.850 8.766 1.00 0.00 C ATOM 645 C ILE A 37 -2.799 -3.654 9.127 1.00 0.00 C ATOM 646 O ILE A 37 -2.407 -2.590 9.602 1.00 0.00 O ATOM 647 CB ILE A 37 -5.025 -4.501 9.951 1.00 0.00 C ATOM 648 CG1 ILE A 37 -6.498 -4.722 9.585 1.00 0.00 C ATOM 649 CG2 ILE A 37 -4.907 -3.640 11.205 1.00 0.00 C ATOM 650 CD1 ILE A 37 -7.291 -5.441 10.658 1.00 0.00 C ATOM 0 H ILE A 37 -4.929 -5.521 7.686 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.724 -2.876 8.567 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.567 -5.467 10.162 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.963 -3.756 9.388 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.551 -5.296 8.660 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.441 -4.118 12.026 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.856 -3.528 11.472 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.339 -2.658 11.014 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.323 -5.561 10.329 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.851 -6.422 10.840 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.270 -4.858 11.579 1.00 0.00 H new ATOM 662 N SER A 38 -1.984 -4.675 8.873 1.00 0.00 N ATOM 663 CA SER A 38 -0.549 -4.602 9.151 1.00 0.00 C ATOM 664 C SER A 38 0.142 -3.723 8.117 1.00 0.00 C ATOM 665 O SER A 38 1.047 -2.952 8.445 1.00 0.00 O ATOM 666 CB SER A 38 0.071 -6.004 9.163 1.00 0.00 C ATOM 667 OG SER A 38 -0.278 -6.728 7.993 1.00 0.00 O ATOM 0 H SER A 38 -2.291 -5.563 8.475 1.00 0.00 H new ATOM 0 HA SER A 38 -0.409 -4.159 10.137 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.156 -5.925 9.235 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.268 -6.547 10.045 1.00 0.00 H new ATOM 0 HG SER A 38 0.131 -7.618 8.025 1.00 0.00 H new ATOM 673 N GLU A 39 -0.319 -3.802 6.875 1.00 0.00 N ATOM 674 CA GLU A 39 0.229 -2.972 5.818 1.00 0.00 C ATOM 675 C GLU A 39 -0.146 -1.522 6.105 1.00 0.00 C ATOM 676 O GLU A 39 0.653 -0.606 5.904 1.00 0.00 O ATOM 677 CB GLU A 39 -0.269 -3.435 4.450 1.00 0.00 C ATOM 678 CG GLU A 39 0.382 -4.740 4.012 1.00 0.00 C ATOM 679 CD GLU A 39 -0.233 -5.322 2.763 1.00 0.00 C ATOM 680 OE1 GLU A 39 -1.419 -5.692 2.805 1.00 0.00 O ATOM 681 OE2 GLU A 39 0.473 -5.421 1.733 1.00 0.00 O ATOM 0 H GLU A 39 -1.067 -4.430 6.579 1.00 0.00 H new ATOM 0 HA GLU A 39 1.315 -3.059 5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.351 -3.564 4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.063 -2.662 3.710 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.445 -4.568 3.840 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.303 -5.467 4.820 1.00 0.00 H new ATOM 688 N GLU A 40 -1.351 -1.341 6.642 1.00 0.00 N ATOM 689 CA GLU A 40 -1.824 -0.025 7.032 1.00 0.00 C ATOM 690 C GLU A 40 -0.986 0.476 8.208 1.00 0.00 C ATOM 691 O GLU A 40 -0.487 1.591 8.198 1.00 0.00 O ATOM 692 CB GLU A 40 -3.294 -0.066 7.472 1.00 0.00 C ATOM 693 CG GLU A 40 -3.825 1.301 7.889 1.00 0.00 C ATOM 694 CD GLU A 40 -4.993 1.230 8.855 1.00 0.00 C ATOM 695 OE1 GLU A 40 -5.322 0.123 9.327 1.00 0.00 O ATOM 696 OE2 GLU A 40 -5.567 2.292 9.168 1.00 0.00 O ATOM 0 H GLU A 40 -2.016 -2.095 6.815 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.733 0.637 6.171 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.902 -0.453 6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.400 -0.761 8.305 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.017 1.870 8.350 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.133 1.849 6.999 1.00 0.00 H new ATOM 703 N GLU A 41 -0.871 -0.391 9.214 1.00 0.00 N ATOM 704 CA GLU A 41 -0.143 -0.134 10.463 1.00 0.00 C ATOM 705 C GLU A 41 1.149 0.660 10.271 1.00 0.00 C ATOM 706 O GLU A 41 1.330 1.710 10.875 1.00 0.00 O ATOM 707 CB GLU A 41 0.168 -1.469 11.146 1.00 0.00 C ATOM 708 CG GLU A 41 0.774 -1.343 12.536 1.00 0.00 C ATOM 709 CD GLU A 41 1.041 -2.695 13.167 1.00 0.00 C ATOM 710 OE1 GLU A 41 0.093 -3.504 13.273 1.00 0.00 O ATOM 711 OE2 GLU A 41 2.194 -2.961 13.558 1.00 0.00 O ATOM 0 H GLU A 41 -1.293 -1.319 9.185 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.791 0.484 11.085 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.752 -2.049 11.216 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.854 -2.034 10.515 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.706 -0.782 12.475 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.100 -0.772 13.175 1.00 0.00 H new ATOM 718 N LYS A 42 2.059 0.146 9.458 1.00 0.00 N ATOM 719 CA LYS A 42 3.344 0.821 9.235 1.00 0.00 C ATOM 720 C LYS A 42 3.197 2.184 8.533 1.00 0.00 C ATOM 721 O LYS A 42 3.709 3.206 9.021 1.00 0.00 O ATOM 722 CB LYS A 42 4.285 -0.093 8.447 1.00 0.00 C ATOM 723 CG LYS A 42 4.713 -1.321 9.236 1.00 0.00 C ATOM 724 CD LYS A 42 5.727 -2.168 8.484 1.00 0.00 C ATOM 725 CE LYS A 42 5.091 -2.951 7.343 1.00 0.00 C ATOM 726 NZ LYS A 42 6.077 -3.837 6.662 1.00 0.00 N ATOM 0 H LYS A 42 1.941 -0.727 8.943 1.00 0.00 H new ATOM 0 HA LYS A 42 3.770 1.027 10.217 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.791 -0.411 7.529 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.170 0.471 8.153 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.141 -1.007 10.188 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.836 -1.927 9.465 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.512 -1.524 8.087 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.203 -2.862 9.177 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.268 -3.552 7.729 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.665 -2.257 6.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.606 -4.353 5.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.850 -3.261 6.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.465 -4.516 7.347 1.00 0.00 H new ATOM 740 N VAL A 43 2.513 2.205 7.394 1.00 0.00 N ATOM 741 CA VAL A 43 2.317 3.445 6.639 1.00 0.00 C ATOM 742 C VAL A 43 1.565 4.475 7.490 1.00 0.00 C ATOM 743 O VAL A 43 1.810 5.677 7.408 1.00 0.00 O ATOM 744 CB VAL A 43 1.518 3.187 5.344 1.00 0.00 C ATOM 745 CG1 VAL A 43 1.443 4.441 4.488 1.00 0.00 C ATOM 746 CG2 VAL A 43 2.133 2.045 4.555 1.00 0.00 C ATOM 0 H VAL A 43 2.085 1.382 6.971 1.00 0.00 H new ATOM 0 HA VAL A 43 3.303 3.830 6.378 1.00 0.00 H new ATOM 0 HB VAL A 43 0.503 2.908 5.627 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.874 4.230 3.582 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.950 5.235 5.049 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.450 4.758 4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.555 1.879 3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.160 2.297 4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.125 1.139 5.161 1.00 0.00 H new ATOM 756 N ARG A 44 0.645 3.982 8.309 1.00 0.00 N ATOM 757 CA ARG A 44 -0.161 4.831 9.180 1.00 0.00 C ATOM 758 C ARG A 44 0.645 5.272 10.395 1.00 0.00 C ATOM 759 O ARG A 44 0.430 6.360 10.926 1.00 0.00 O ATOM 760 CB ARG A 44 -1.413 4.074 9.634 1.00 0.00 C ATOM 761 CG ARG A 44 -2.645 4.941 9.858 1.00 0.00 C ATOM 762 CD ARG A 44 -2.548 5.805 11.111 1.00 0.00 C ATOM 763 NE ARG A 44 -3.830 6.429 11.440 1.00 0.00 N ATOM 764 CZ ARG A 44 -4.004 7.332 12.400 1.00 0.00 C ATOM 765 NH1 ARG A 44 -2.981 7.735 13.139 1.00 0.00 N ATOM 766 NH2 ARG A 44 -5.209 7.824 12.631 1.00 0.00 N ATOM 0 H ARG A 44 0.436 2.987 8.389 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.459 5.717 8.620 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.652 3.316 8.888 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.185 3.548 10.561 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.792 5.584 8.991 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.524 4.301 9.932 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.215 5.193 11.950 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.795 6.578 10.962 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.647 6.152 10.895 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.050 7.352 12.974 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.124 8.428 13.873 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.003 7.511 12.073 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.344 8.517 13.367 1.00 0.00 H new ATOM 780 N ASN A 45 1.574 4.417 10.829 1.00 0.00 N ATOM 781 CA ASN A 45 2.420 4.721 11.983 1.00 0.00 C ATOM 782 C ASN A 45 3.144 6.033 11.757 1.00 0.00 C ATOM 783 O ASN A 45 3.230 6.862 12.662 1.00 0.00 O ATOM 784 CB ASN A 45 3.425 3.601 12.249 1.00 0.00 C ATOM 785 CG ASN A 45 3.153 2.892 13.560 1.00 0.00 C ATOM 786 OD1 ASN A 45 3.234 3.490 14.634 1.00 0.00 O ATOM 787 ND2 ASN A 45 2.820 1.613 13.481 1.00 0.00 N ATOM 0 H ASN A 45 1.758 3.511 10.399 1.00 0.00 H new ATOM 0 HA ASN A 45 1.780 4.807 12.861 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.388 2.880 11.433 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.433 4.015 12.263 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.619 1.085 14.330 1.00 0.00 H new ATOM 0 HD22 ASN A 45 2.764 1.156 12.571 1.00 0.00 H new ATOM 794 N GLU A 46 3.617 6.236 10.534 1.00 0.00 N ATOM 795 CA GLU A 46 4.276 7.486 10.192 1.00 0.00 C ATOM 796 C GLU A 46 3.239 8.598 10.074 1.00 0.00 C ATOM 797 O GLU A 46 2.290 8.492 9.297 1.00 0.00 O ATOM 798 CB GLU A 46 5.065 7.336 8.906 1.00 0.00 C ATOM 799 CG GLU A 46 6.426 6.710 9.118 1.00 0.00 C ATOM 800 CD GLU A 46 7.295 7.534 10.045 1.00 0.00 C ATOM 801 OE1 GLU A 46 7.133 7.434 11.276 1.00 0.00 O ATOM 802 OE2 GLU A 46 8.125 8.317 9.545 1.00 0.00 O ATOM 0 H GLU A 46 3.557 5.560 9.773 1.00 0.00 H new ATOM 0 HA GLU A 46 4.978 7.749 10.983 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.495 6.725 8.206 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.190 8.316 8.446 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.303 5.709 9.532 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.927 6.599 8.156 1.00 0.00 H new ATOM 809 N PRO A 47 3.373 9.651 10.896 1.00 0.00 N ATOM 810 CA PRO A 47 2.416 10.763 10.952 1.00 0.00 C ATOM 811 C PRO A 47 2.595 11.844 9.882 1.00 0.00 C ATOM 812 O PRO A 47 1.812 12.799 9.846 1.00 0.00 O ATOM 813 CB PRO A 47 2.654 11.365 12.349 1.00 0.00 C ATOM 814 CG PRO A 47 3.695 10.512 13.006 1.00 0.00 C ATOM 815 CD PRO A 47 4.429 9.821 11.897 1.00 0.00 C ATOM 0 HA PRO A 47 1.408 10.392 10.766 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.990 12.399 12.274 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.733 11.371 12.931 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.375 11.119 13.604 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.237 9.788 13.680 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.257 10.421 11.519 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.847 8.866 12.216 1.00 0.00 H new ATOM 823 N THR A 48 3.598 11.730 9.019 1.00 0.00 N ATOM 824 CA THR A 48 3.792 12.744 7.992 1.00 0.00 C ATOM 825 C THR A 48 4.146 12.107 6.663 1.00 0.00 C ATOM 826 O THR A 48 4.447 10.918 6.610 1.00 0.00 O ATOM 827 CB THR A 48 4.887 13.762 8.394 1.00 0.00 C ATOM 828 OG1 THR A 48 6.014 13.088 8.970 1.00 0.00 O ATOM 829 CG2 THR A 48 4.349 14.781 9.387 1.00 0.00 C ATOM 0 H THR A 48 4.273 10.966 9.008 1.00 0.00 H new ATOM 0 HA THR A 48 2.849 13.280 7.889 1.00 0.00 H new ATOM 0 HB THR A 48 5.200 14.283 7.489 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.697 13.746 9.217 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.139 15.483 9.652 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.517 15.323 8.937 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.004 14.267 10.285 1.00 0.00 H new ATOM 837 N GLN A 49 4.138 12.906 5.599 1.00 0.00 N ATOM 838 CA GLN A 49 4.474 12.428 4.261 1.00 0.00 C ATOM 839 C GLN A 49 5.859 11.788 4.266 1.00 0.00 C ATOM 840 O GLN A 49 6.187 11.011 3.374 1.00 0.00 O ATOM 841 CB GLN A 49 4.409 13.584 3.252 1.00 0.00 C ATOM 842 CG GLN A 49 4.822 13.201 1.834 1.00 0.00 C ATOM 843 CD GLN A 49 6.257 13.589 1.505 1.00 0.00 C ATOM 844 OE1 GLN A 49 6.633 14.757 1.559 1.00 0.00 O ATOM 845 NE2 GLN A 49 7.060 12.614 1.138 1.00 0.00 N ATOM 0 H GLN A 49 3.900 13.897 5.639 1.00 0.00 H new ATOM 0 HA GLN A 49 3.748 11.673 3.961 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.392 13.974 3.229 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.053 14.392 3.600 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.704 12.125 1.706 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.150 13.682 1.124 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.715 11.655 1.104 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.028 12.817 0.887 1.00 0.00 H new ATOM 854 N GLN A 50 6.623 12.100 5.317 1.00 0.00 N ATOM 855 CA GLN A 50 7.967 11.578 5.554 1.00 0.00 C ATOM 856 C GLN A 50 8.057 10.111 5.173 1.00 0.00 C ATOM 857 O GLN A 50 8.284 9.764 4.006 1.00 0.00 O ATOM 858 CB GLN A 50 8.302 11.774 7.039 1.00 0.00 C ATOM 859 CG GLN A 50 9.668 11.259 7.468 1.00 0.00 C ATOM 860 CD GLN A 50 9.949 11.523 8.936 1.00 0.00 C ATOM 861 OE1 GLN A 50 10.379 12.608 9.312 1.00 0.00 O ATOM 862 NE2 GLN A 50 9.674 10.539 9.780 1.00 0.00 N ATOM 0 H GLN A 50 6.312 12.742 6.046 1.00 0.00 H new ATOM 0 HA GLN A 50 8.685 12.116 4.935 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.243 12.837 7.271 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.539 11.275 7.636 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.726 10.188 7.276 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.439 11.734 6.862 1.00 0.00 H new ATOM 0 HE21 GLN A 50 9.318 9.650 9.429 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.819 10.670 10.781 1.00 0.00 H new ATOM 871 N GLN A 51 7.849 9.238 6.127 1.00 0.00 N ATOM 872 CA GLN A 51 7.891 7.844 5.812 1.00 0.00 C ATOM 873 C GLN A 51 6.490 7.303 5.611 1.00 0.00 C ATOM 874 O GLN A 51 6.340 6.142 5.321 1.00 0.00 O ATOM 875 CB GLN A 51 8.672 7.029 6.838 1.00 0.00 C ATOM 876 CG GLN A 51 10.178 7.208 6.727 1.00 0.00 C ATOM 877 CD GLN A 51 10.951 6.072 7.361 1.00 0.00 C ATOM 878 OE1 GLN A 51 10.780 4.912 6.995 1.00 0.00 O ATOM 879 NE2 GLN A 51 11.818 6.399 8.299 1.00 0.00 N ATOM 0 H GLN A 51 7.654 9.465 7.102 1.00 0.00 H new ATOM 0 HA GLN A 51 8.436 7.741 4.874 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.352 7.316 7.840 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.428 5.974 6.715 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.454 7.287 5.675 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.464 8.146 7.203 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.929 7.375 8.573 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.378 5.676 8.750 1.00 0.00 H new ATOM 888 N ARG A 52 5.457 8.146 5.705 1.00 0.00 N ATOM 889 CA ARG A 52 4.107 7.648 5.441 1.00 0.00 C ATOM 890 C ARG A 52 3.981 7.473 3.935 1.00 0.00 C ATOM 891 O ARG A 52 3.664 6.390 3.444 1.00 0.00 O ATOM 892 CB ARG A 52 2.999 8.566 5.980 1.00 0.00 C ATOM 893 CG ARG A 52 1.623 8.182 5.466 1.00 0.00 C ATOM 894 CD ARG A 52 0.505 8.542 6.430 1.00 0.00 C ATOM 895 NE ARG A 52 0.424 9.977 6.687 1.00 0.00 N ATOM 896 CZ ARG A 52 -0.623 10.565 7.265 1.00 0.00 C ATOM 897 NH1 ARG A 52 -1.731 9.883 7.480 1.00 0.00 N ATOM 898 NH2 ARG A 52 -0.581 11.844 7.578 1.00 0.00 N ATOM 0 H ARG A 52 5.523 9.134 5.951 1.00 0.00 H new ATOM 0 HA ARG A 52 3.971 6.703 5.968 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.999 8.529 7.069 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.215 9.596 5.696 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.446 8.679 4.512 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.599 7.109 5.276 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.445 8.195 6.024 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.660 8.016 7.372 1.00 0.00 H new ATOM 0 HE ARG A 52 1.212 10.562 6.409 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.788 8.903 7.204 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.531 10.336 7.923 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.257 12.391 7.378 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.386 12.288 8.020 1.00 0.00 H new ATOM 912 N ALA A 53 4.314 8.529 3.201 1.00 0.00 N ATOM 913 CA ALA A 53 4.313 8.457 1.751 1.00 0.00 C ATOM 914 C ALA A 53 5.439 7.545 1.325 1.00 0.00 C ATOM 915 O ALA A 53 5.255 6.696 0.466 1.00 0.00 O ATOM 916 CB ALA A 53 4.464 9.835 1.122 1.00 0.00 C ATOM 0 H ALA A 53 4.585 9.435 3.584 1.00 0.00 H new ATOM 0 HA ALA A 53 3.357 8.060 1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.459 9.742 0.036 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.636 10.471 1.435 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.405 10.281 1.444 1.00 0.00 H new ATOM 922 N ALA A 54 6.605 7.705 1.958 1.00 0.00 N ATOM 923 CA ALA A 54 7.748 6.864 1.636 1.00 0.00 C ATOM 924 C ALA A 54 7.448 5.383 1.870 1.00 0.00 C ATOM 925 O ALA A 54 7.910 4.542 1.110 1.00 0.00 O ATOM 926 CB ALA A 54 8.969 7.261 2.442 1.00 0.00 C ATOM 0 H ALA A 54 6.776 8.400 2.685 1.00 0.00 H new ATOM 0 HA ALA A 54 7.954 7.015 0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.805 6.614 2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 54 9.229 8.297 2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.752 7.158 3.505 1.00 0.00 H new ATOM 932 N MET A 55 6.685 5.061 2.923 1.00 0.00 N ATOM 933 CA MET A 55 6.363 3.676 3.229 1.00 0.00 C ATOM 934 C MET A 55 5.355 3.140 2.232 1.00 0.00 C ATOM 935 O MET A 55 5.431 1.984 1.827 1.00 0.00 O ATOM 936 CB MET A 55 5.829 3.552 4.654 1.00 0.00 C ATOM 937 CG MET A 55 5.685 2.115 5.121 1.00 0.00 C ATOM 938 SD MET A 55 7.257 1.231 5.060 1.00 0.00 S ATOM 939 CE MET A 55 6.714 -0.447 5.368 1.00 0.00 C ATOM 0 H MET A 55 6.285 5.742 3.569 1.00 0.00 H new ATOM 0 HA MET A 55 7.274 3.082 3.154 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.498 4.081 5.332 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.859 4.045 4.715 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.299 2.101 6.140 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.954 1.601 4.496 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.550 -1.037 5.745 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.913 -0.440 6.107 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.348 -0.887 4.440 1.00 0.00 H new ATOM 949 N LEU A 56 4.436 3.999 1.806 1.00 0.00 N ATOM 950 CA LEU A 56 3.449 3.611 0.815 1.00 0.00 C ATOM 951 C LEU A 56 4.183 3.217 -0.463 1.00 0.00 C ATOM 952 O LEU A 56 4.021 2.113 -0.977 1.00 0.00 O ATOM 953 CB LEU A 56 2.484 4.774 0.541 1.00 0.00 C ATOM 954 CG LEU A 56 1.229 4.414 -0.259 1.00 0.00 C ATOM 955 CD1 LEU A 56 0.266 3.611 0.595 1.00 0.00 C ATOM 956 CD2 LEU A 56 0.551 5.672 -0.784 1.00 0.00 C ATOM 0 H LEU A 56 4.357 4.962 2.131 1.00 0.00 H new ATOM 0 HA LEU A 56 2.863 2.768 1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.175 5.200 1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.025 5.553 0.004 1.00 0.00 H new ATOM 0 HG LEU A 56 1.528 3.802 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.620 3.364 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.751 2.692 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.026 4.199 1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.339 5.397 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.266 6.308 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.240 6.213 -1.432 1.00 0.00 H new ATOM 968 N ILE A 57 5.029 4.129 -0.928 1.00 0.00 N ATOM 969 CA ILE A 57 5.850 3.927 -2.122 1.00 0.00 C ATOM 970 C ILE A 57 6.818 2.755 -1.912 1.00 0.00 C ATOM 971 O ILE A 57 7.207 2.072 -2.858 1.00 0.00 O ATOM 972 CB ILE A 57 6.642 5.226 -2.435 1.00 0.00 C ATOM 973 CG1 ILE A 57 5.699 6.427 -2.400 1.00 0.00 C ATOM 974 CG2 ILE A 57 7.330 5.155 -3.792 1.00 0.00 C ATOM 975 CD1 ILE A 57 6.407 7.762 -2.337 1.00 0.00 C ATOM 0 H ILE A 57 5.168 5.037 -0.485 1.00 0.00 H new ATOM 0 HA ILE A 57 5.200 3.691 -2.965 1.00 0.00 H new ATOM 0 HB ILE A 57 7.414 5.336 -1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.065 6.405 -3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.041 6.335 -1.536 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.873 6.082 -3.974 1.00 0.00 H new ATOM 0 HG22 ILE A 57 8.028 4.318 -3.803 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.582 5.014 -4.572 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.669 8.564 -2.315 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.019 7.807 -1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.043 7.878 -3.214 1.00 0.00 H new ATOM 987 N LYS A 58 7.185 2.525 -0.654 1.00 0.00 N ATOM 988 CA LYS A 58 8.092 1.436 -0.300 1.00 0.00 C ATOM 989 C LYS A 58 7.380 0.086 -0.371 1.00 0.00 C ATOM 990 O LYS A 58 7.999 -0.921 -0.720 1.00 0.00 O ATOM 991 CB LYS A 58 8.708 1.677 1.084 1.00 0.00 C ATOM 992 CG LYS A 58 9.659 0.582 1.542 1.00 0.00 C ATOM 993 CD LYS A 58 10.332 0.944 2.859 1.00 0.00 C ATOM 994 CE LYS A 58 11.313 -0.128 3.311 1.00 0.00 C ATOM 995 NZ LYS A 58 12.411 -0.317 2.331 1.00 0.00 N ATOM 0 H LYS A 58 6.867 3.080 0.140 1.00 0.00 H new ATOM 0 HA LYS A 58 8.904 1.413 -1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.244 2.626 1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.905 1.775 1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.111 -0.353 1.657 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.418 0.415 0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.857 1.893 2.749 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.572 1.087 3.627 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.733 0.148 4.279 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.783 -1.070 3.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.168 -0.884 2.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.046 -0.810 1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.790 0.610 2.051 1.00 0.00 H new ATOM 1009 N MET A 59 6.076 0.062 -0.077 1.00 0.00 N ATOM 1010 CA MET A 59 5.316 -1.181 -0.163 1.00 0.00 C ATOM 1011 C MET A 59 5.266 -1.633 -1.604 1.00 0.00 C ATOM 1012 O MET A 59 5.598 -2.774 -1.919 1.00 0.00 O ATOM 1013 CB MET A 59 3.882 -1.018 0.320 1.00 0.00 C ATOM 1014 CG MET A 59 3.728 -0.523 1.733 1.00 0.00 C ATOM 1015 SD MET A 59 1.996 -0.485 2.229 1.00 0.00 S ATOM 1016 CE MET A 59 1.243 0.242 0.769 1.00 0.00 C ATOM 0 H MET A 59 5.536 0.876 0.217 1.00 0.00 H new ATOM 0 HA MET A 59 5.818 -1.909 0.474 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.368 -0.326 -0.347 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.376 -1.979 0.233 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.288 -1.168 2.410 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.155 0.476 1.819 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.320 0.749 1.050 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.931 0.961 0.325 1.00 0.00 H new ATOM 0 HE3 MET A 59 1.021 -0.542 0.045 1.00 0.00 H new ATOM 1026 N ILE A 60 4.837 -0.719 -2.478 1.00 0.00 N ATOM 1027 CA ILE A 60 4.729 -1.003 -3.897 1.00 0.00 C ATOM 1028 C ILE A 60 6.122 -1.218 -4.510 1.00 0.00 C ATOM 1029 O ILE A 60 6.265 -1.843 -5.561 1.00 0.00 O ATOM 1030 CB ILE A 60 3.949 0.126 -4.633 1.00 0.00 C ATOM 1031 CG1 ILE A 60 2.497 0.171 -4.156 1.00 0.00 C ATOM 1032 CG2 ILE A 60 3.967 -0.077 -6.139 1.00 0.00 C ATOM 1033 CD1 ILE A 60 2.223 1.246 -3.136 1.00 0.00 C ATOM 0 H ILE A 60 4.559 0.227 -2.218 1.00 0.00 H new ATOM 0 HA ILE A 60 4.162 -1.926 -4.023 1.00 0.00 H new ATOM 0 HB ILE A 60 4.445 1.068 -4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.847 0.326 -5.017 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.235 -0.797 -3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.414 0.729 -6.621 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.997 -0.073 -6.494 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.503 -1.033 -6.383 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.172 1.214 -2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.846 1.081 -2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.452 2.222 -3.565 1.00 0.00 H new ATOM 1045 N LEU A 61 7.154 -0.732 -3.819 1.00 0.00 N ATOM 1046 CA LEU A 61 8.530 -0.901 -4.269 1.00 0.00 C ATOM 1047 C LEU A 61 8.894 -2.392 -4.267 1.00 0.00 C ATOM 1048 O LEU A 61 9.811 -2.825 -4.963 1.00 0.00 O ATOM 1049 CB LEU A 61 9.479 -0.095 -3.368 1.00 0.00 C ATOM 1050 CG LEU A 61 10.980 -0.214 -3.678 1.00 0.00 C ATOM 1051 CD1 LEU A 61 11.677 1.115 -3.437 1.00 0.00 C ATOM 1052 CD2 LEU A 61 11.619 -1.290 -2.812 1.00 0.00 C ATOM 0 H LEU A 61 7.059 -0.217 -2.944 1.00 0.00 H new ATOM 0 HA LEU A 61 8.632 -0.525 -5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.199 0.957 -3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.317 -0.406 -2.336 1.00 0.00 H new ATOM 0 HG LEU A 61 11.091 -0.490 -4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.739 1.015 -3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.241 1.877 -4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.552 1.408 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.682 -1.361 -3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.494 -1.032 -1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.140 -2.249 -3.010 1.00 0.00 H new ATOM 1064 N LYS A 62 8.145 -3.171 -3.490 1.00 0.00 N ATOM 1065 CA LYS A 62 8.360 -4.606 -3.402 1.00 0.00 C ATOM 1066 C LYS A 62 7.039 -5.327 -3.101 1.00 0.00 C ATOM 1067 O LYS A 62 6.905 -6.014 -2.086 1.00 0.00 O ATOM 1068 CB LYS A 62 9.394 -4.920 -2.315 1.00 0.00 C ATOM 1069 CG LYS A 62 9.864 -6.369 -2.295 1.00 0.00 C ATOM 1070 CD LYS A 62 10.588 -6.703 -0.999 1.00 0.00 C ATOM 1071 CE LYS A 62 9.681 -6.514 0.213 1.00 0.00 C ATOM 1072 NZ LYS A 62 10.299 -7.032 1.466 1.00 0.00 N ATOM 0 H LYS A 62 7.380 -2.826 -2.910 1.00 0.00 H new ATOM 0 HA LYS A 62 8.739 -4.961 -4.361 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.259 -4.272 -2.455 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.967 -4.676 -1.342 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.007 -7.032 -2.416 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.528 -6.549 -3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.941 -7.734 -1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.468 -6.068 -0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.454 -5.455 0.333 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.734 -7.025 0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.647 -6.882 2.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.492 -8.049 1.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.190 -6.527 1.648 1.00 0.00 H new ATOM 1086 N LYS A 63 6.053 -5.164 -3.978 1.00 0.00 N ATOM 1087 CA LYS A 63 4.762 -5.802 -3.776 1.00 0.00 C ATOM 1088 C LYS A 63 4.414 -6.715 -4.960 1.00 0.00 C ATOM 1089 O LYS A 63 5.058 -7.735 -5.153 1.00 0.00 O ATOM 1090 CB LYS A 63 3.679 -4.742 -3.547 1.00 0.00 C ATOM 1091 CG LYS A 63 2.392 -5.300 -2.961 1.00 0.00 C ATOM 1092 CD LYS A 63 2.645 -5.978 -1.624 1.00 0.00 C ATOM 1093 CE LYS A 63 1.408 -6.700 -1.117 1.00 0.00 C ATOM 1094 NZ LYS A 63 0.283 -5.778 -0.808 1.00 0.00 N ATOM 0 H LYS A 63 6.124 -4.601 -4.826 1.00 0.00 H new ATOM 0 HA LYS A 63 4.815 -6.429 -2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.070 -3.975 -2.878 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.454 -4.254 -4.495 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.669 -4.495 -2.832 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.952 -6.015 -3.657 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.465 -6.689 -1.726 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.958 -5.233 -0.892 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.083 -7.422 -1.866 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.665 -7.264 -0.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.049 -5.843 0.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.561 -4.802 -1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.548 -6.043 -1.374 1.00 0.00 H new ATOM 1108 N ASP A 64 3.402 -6.347 -5.746 1.00 0.00 N ATOM 1109 CA ASP A 64 2.974 -7.150 -6.902 1.00 0.00 C ATOM 1110 C ASP A 64 2.162 -6.283 -7.850 1.00 0.00 C ATOM 1111 O ASP A 64 1.642 -5.243 -7.444 1.00 0.00 O ATOM 1112 CB ASP A 64 2.138 -8.348 -6.425 1.00 0.00 C ATOM 1113 CG ASP A 64 1.799 -9.330 -7.532 1.00 0.00 C ATOM 1114 OD1 ASP A 64 2.420 -9.257 -8.606 1.00 0.00 O ATOM 1115 OD2 ASP A 64 0.911 -10.183 -7.319 1.00 0.00 O ATOM 0 H ASP A 64 2.859 -5.495 -5.606 1.00 0.00 H new ATOM 0 HA ASP A 64 3.852 -7.525 -7.428 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.684 -8.872 -5.640 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.213 -7.981 -5.980 1.00 0.00 H new ATOM 1120 N ASN A 65 2.054 -6.710 -9.106 1.00 0.00 N ATOM 1121 CA ASN A 65 1.304 -5.958 -10.113 1.00 0.00 C ATOM 1122 C ASN A 65 -0.152 -5.829 -9.724 1.00 0.00 C ATOM 1123 O ASN A 65 -0.778 -4.821 -10.016 1.00 0.00 O ATOM 1124 CB ASN A 65 1.438 -6.569 -11.514 1.00 0.00 C ATOM 1125 CG ASN A 65 1.404 -8.083 -11.524 1.00 0.00 C ATOM 1126 OD1 ASN A 65 0.460 -8.710 -11.054 1.00 0.00 O ATOM 1127 ND2 ASN A 65 2.441 -8.676 -12.081 1.00 0.00 N ATOM 0 H ASN A 65 2.475 -7.572 -9.452 1.00 0.00 H new ATOM 0 HA ASN A 65 1.742 -4.961 -10.152 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.632 -6.192 -12.144 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.374 -6.233 -11.959 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.479 -9.694 -12.133 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.205 -8.117 -12.460 1.00 0.00 H new ATOM 1134 N ASP A 66 -0.681 -6.828 -9.038 1.00 0.00 N ATOM 1135 CA ASP A 66 -2.064 -6.774 -8.594 1.00 0.00 C ATOM 1136 C ASP A 66 -2.260 -5.568 -7.676 1.00 0.00 C ATOM 1137 O ASP A 66 -3.183 -4.776 -7.856 1.00 0.00 O ATOM 1138 CB ASP A 66 -2.468 -8.062 -7.872 1.00 0.00 C ATOM 1139 CG ASP A 66 -2.769 -9.197 -8.829 1.00 0.00 C ATOM 1140 OD1 ASP A 66 -2.640 -9.002 -10.052 1.00 0.00 O ATOM 1141 OD2 ASP A 66 -3.141 -10.291 -8.360 1.00 0.00 O ATOM 0 H ASP A 66 -0.180 -7.678 -8.778 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.703 -6.672 -9.471 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.666 -8.363 -7.198 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.346 -7.869 -7.256 1.00 0.00 H new ATOM 1146 N SER A 67 -1.358 -5.416 -6.714 1.00 0.00 N ATOM 1147 CA SER A 67 -1.420 -4.291 -5.793 1.00 0.00 C ATOM 1148 C SER A 67 -0.985 -3.025 -6.489 1.00 0.00 C ATOM 1149 O SER A 67 -1.399 -1.934 -6.122 1.00 0.00 O ATOM 1150 CB SER A 67 -0.511 -4.516 -4.602 1.00 0.00 C ATOM 1151 OG SER A 67 -0.190 -5.891 -4.451 1.00 0.00 O ATOM 0 H SER A 67 -0.579 -6.055 -6.553 1.00 0.00 H new ATOM 0 HA SER A 67 -2.451 -4.200 -5.452 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.405 -3.938 -4.726 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.997 -4.152 -3.697 1.00 0.00 H new ATOM 0 HG SER A 67 -0.196 -6.126 -3.500 1.00 0.00 H new ATOM 1157 N TYR A 68 -0.138 -3.180 -7.489 1.00 0.00 N ATOM 1158 CA TYR A 68 0.358 -2.049 -8.234 1.00 0.00 C ATOM 1159 C TYR A 68 -0.785 -1.418 -9.004 1.00 0.00 C ATOM 1160 O TYR A 68 -0.917 -0.202 -9.028 1.00 0.00 O ATOM 1161 CB TYR A 68 1.479 -2.481 -9.176 1.00 0.00 C ATOM 1162 CG TYR A 68 2.144 -1.331 -9.879 1.00 0.00 C ATOM 1163 CD1 TYR A 68 2.488 -0.179 -9.182 1.00 0.00 C ATOM 1164 CD2 TYR A 68 2.431 -1.394 -11.231 1.00 0.00 C ATOM 1165 CE1 TYR A 68 3.090 0.881 -9.819 1.00 0.00 C ATOM 1166 CE2 TYR A 68 3.029 -0.336 -11.874 1.00 0.00 C ATOM 1167 CZ TYR A 68 3.361 0.791 -11.168 1.00 0.00 C ATOM 1168 OH TYR A 68 3.957 1.834 -11.820 1.00 0.00 O ATOM 0 H TYR A 68 0.219 -4.083 -7.801 1.00 0.00 H new ATOM 0 HA TYR A 68 0.770 -1.312 -7.545 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.228 -3.032 -8.608 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.074 -3.167 -9.920 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.280 -0.115 -8.124 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.182 -2.285 -11.788 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.348 1.774 -9.269 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.237 -0.393 -12.932 1.00 0.00 H new ATOM 0 HH TYR A 68 4.785 1.525 -12.243 1.00 0.00 H new ATOM 1178 N VAL A 69 -1.636 -2.254 -9.601 1.00 0.00 N ATOM 1179 CA VAL A 69 -2.782 -1.747 -10.331 1.00 0.00 C ATOM 1180 C VAL A 69 -3.786 -1.171 -9.335 1.00 0.00 C ATOM 1181 O VAL A 69 -4.518 -0.237 -9.641 1.00 0.00 O ATOM 1182 CB VAL A 69 -3.457 -2.823 -11.210 1.00 0.00 C ATOM 1183 CG1 VAL A 69 -4.559 -2.201 -12.058 1.00 0.00 C ATOM 1184 CG2 VAL A 69 -2.442 -3.508 -12.105 1.00 0.00 C ATOM 0 H VAL A 69 -1.550 -3.270 -9.590 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.429 -0.972 -11.011 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.895 -3.571 -10.549 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.025 -2.972 -12.672 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.310 -1.752 -11.407 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.132 -1.433 -12.703 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.943 -4.261 -12.713 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.973 -2.769 -12.755 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.679 -3.987 -11.491 1.00 0.00 H new ATOM 1194 N SER A 70 -3.778 -1.702 -8.110 1.00 0.00 N ATOM 1195 CA SER A 70 -4.653 -1.196 -7.050 1.00 0.00 C ATOM 1196 C SER A 70 -4.162 0.187 -6.627 1.00 0.00 C ATOM 1197 O SER A 70 -4.930 1.147 -6.644 1.00 0.00 O ATOM 1198 CB SER A 70 -4.675 -2.154 -5.858 1.00 0.00 C ATOM 1199 OG SER A 70 -5.628 -1.747 -4.887 1.00 0.00 O ATOM 0 H SER A 70 -3.179 -2.478 -7.829 1.00 0.00 H new ATOM 0 HA SER A 70 -5.674 -1.121 -7.425 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.911 -3.161 -6.202 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.685 -2.196 -5.404 1.00 0.00 H new ATOM 0 HG SER A 70 -6.016 -2.538 -4.458 1.00 0.00 H new ATOM 1205 N PHE A 71 -2.871 0.302 -6.290 1.00 0.00 N ATOM 1206 CA PHE A 71 -2.299 1.604 -5.930 1.00 0.00 C ATOM 1207 C PHE A 71 -2.509 2.575 -7.103 1.00 0.00 C ATOM 1208 O PHE A 71 -2.845 3.744 -6.912 1.00 0.00 O ATOM 1209 CB PHE A 71 -0.809 1.463 -5.572 1.00 0.00 C ATOM 1210 CG PHE A 71 -0.055 2.767 -5.497 1.00 0.00 C ATOM 1211 CD1 PHE A 71 -0.455 3.776 -4.637 1.00 0.00 C ATOM 1212 CD2 PHE A 71 1.066 2.979 -6.289 1.00 0.00 C ATOM 1213 CE1 PHE A 71 0.244 4.969 -4.572 1.00 0.00 C ATOM 1214 CE2 PHE A 71 1.764 4.169 -6.228 1.00 0.00 C ATOM 1215 CZ PHE A 71 1.356 5.164 -5.368 1.00 0.00 C ATOM 0 H PHE A 71 -2.213 -0.477 -6.259 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.802 1.999 -5.047 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.726 0.955 -4.611 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.330 0.823 -6.313 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.322 3.630 -4.010 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.397 2.202 -6.962 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.080 5.748 -3.898 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.630 4.319 -6.855 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.903 6.094 -5.316 1.00 0.00 H new ATOM 1225 N TYR A 72 -2.358 2.041 -8.316 1.00 0.00 N ATOM 1226 CA TYR A 72 -2.576 2.788 -9.556 1.00 0.00 C ATOM 1227 C TYR A 72 -4.003 3.330 -9.601 1.00 0.00 C ATOM 1228 O TYR A 72 -4.238 4.512 -9.835 1.00 0.00 O ATOM 1229 CB TYR A 72 -2.338 1.837 -10.741 1.00 0.00 C ATOM 1230 CG TYR A 72 -2.883 2.301 -12.076 1.00 0.00 C ATOM 1231 CD1 TYR A 72 -2.251 3.290 -12.804 1.00 0.00 C ATOM 1232 CD2 TYR A 72 -4.034 1.731 -12.602 1.00 0.00 C ATOM 1233 CE1 TYR A 72 -2.751 3.704 -14.022 1.00 0.00 C ATOM 1234 CE2 TYR A 72 -4.540 2.138 -13.815 1.00 0.00 C ATOM 1235 CZ TYR A 72 -3.894 3.125 -14.521 1.00 0.00 C ATOM 1236 OH TYR A 72 -4.392 3.541 -15.731 1.00 0.00 O ATOM 0 H TYR A 72 -2.079 1.072 -8.467 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.888 3.632 -9.607 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.265 1.676 -10.844 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.784 0.871 -10.503 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.353 3.746 -12.415 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.541 0.954 -12.049 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.247 4.479 -14.580 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.438 1.686 -14.209 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.203 3.033 -15.943 1.00 0.00 H new ATOM 1246 N ASN A 73 -4.940 2.428 -9.359 1.00 0.00 N ATOM 1247 CA ASN A 73 -6.364 2.740 -9.349 1.00 0.00 C ATOM 1248 C ASN A 73 -6.703 3.791 -8.290 1.00 0.00 C ATOM 1249 O ASN A 73 -7.575 4.635 -8.496 1.00 0.00 O ATOM 1250 CB ASN A 73 -7.164 1.463 -9.089 1.00 0.00 C ATOM 1251 CG ASN A 73 -7.865 0.944 -10.330 1.00 0.00 C ATOM 1252 OD1 ASN A 73 -8.653 1.644 -10.961 1.00 0.00 O ATOM 1253 ND2 ASN A 73 -7.607 -0.306 -10.680 1.00 0.00 N ATOM 0 H ASN A 73 -4.734 1.449 -9.162 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.628 3.152 -10.323 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.495 0.692 -8.707 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -7.905 1.656 -8.313 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.068 -0.713 -11.494 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.948 -0.862 -10.136 1.00 0.00 H new ATOM 1260 N ALA A 74 -6.001 3.747 -7.162 1.00 0.00 N ATOM 1261 CA ALA A 74 -6.222 4.701 -6.083 1.00 0.00 C ATOM 1262 C ALA A 74 -5.781 6.096 -6.505 1.00 0.00 C ATOM 1263 O ALA A 74 -6.376 7.098 -6.102 1.00 0.00 O ATOM 1264 CB ALA A 74 -5.487 4.258 -4.833 1.00 0.00 C ATOM 0 H ALA A 74 -5.273 3.059 -6.972 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.288 4.736 -5.860 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.660 4.979 -4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.853 3.279 -4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.419 4.197 -5.041 1.00 0.00 H new ATOM 1270 N LEU A 75 -4.755 6.151 -7.345 1.00 0.00 N ATOM 1271 CA LEU A 75 -4.249 7.416 -7.866 1.00 0.00 C ATOM 1272 C LEU A 75 -5.326 8.070 -8.722 1.00 0.00 C ATOM 1273 O LEU A 75 -5.486 9.286 -8.719 1.00 0.00 O ATOM 1274 CB LEU A 75 -2.984 7.188 -8.688 1.00 0.00 C ATOM 1275 CG LEU A 75 -1.775 6.684 -7.896 1.00 0.00 C ATOM 1276 CD1 LEU A 75 -0.701 6.170 -8.840 1.00 0.00 C ATOM 1277 CD2 LEU A 75 -1.212 7.796 -7.019 1.00 0.00 C ATOM 0 H LEU A 75 -4.254 5.329 -7.682 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.997 8.073 -7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.207 6.469 -9.477 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.714 8.124 -9.177 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.101 5.864 -7.255 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.152 5.815 -8.262 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.102 5.350 -9.435 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.381 6.976 -9.501 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.353 7.421 -6.463 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.901 8.632 -7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.978 8.132 -6.320 1.00 0.00 H new ATOM 1289 N LEU A 76 -6.091 7.243 -9.426 1.00 0.00 N ATOM 1290 CA LEU A 76 -7.183 7.735 -10.265 1.00 0.00 C ATOM 1291 C LEU A 76 -8.363 8.187 -9.412 1.00 0.00 C ATOM 1292 O LEU A 76 -9.254 8.890 -9.896 1.00 0.00 O ATOM 1293 CB LEU A 76 -7.649 6.655 -11.247 1.00 0.00 C ATOM 1294 CG LEU A 76 -6.876 6.572 -12.567 1.00 0.00 C ATOM 1295 CD1 LEU A 76 -5.460 6.070 -12.339 1.00 0.00 C ATOM 1296 CD2 LEU A 76 -7.602 5.676 -13.548 1.00 0.00 C ATOM 0 H LEU A 76 -5.977 6.229 -9.434 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.804 8.587 -10.829 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.585 5.687 -10.750 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.701 6.828 -11.475 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.816 7.576 -12.988 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.934 6.021 -13.292 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.936 6.752 -11.670 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.494 5.077 -11.891 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.040 5.627 -14.481 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.694 4.675 -13.127 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.595 6.080 -13.743 1.00 0.00 H new ATOM 1308 N HIS A 77 -8.378 7.781 -8.147 1.00 0.00 N ATOM 1309 CA HIS A 77 -9.463 8.159 -7.256 1.00 0.00 C ATOM 1310 C HIS A 77 -9.217 9.517 -6.616 1.00 0.00 C ATOM 1311 O HIS A 77 -10.166 10.212 -6.273 1.00 0.00 O ATOM 1312 CB HIS A 77 -9.676 7.126 -6.146 1.00 0.00 C ATOM 1313 CG HIS A 77 -11.124 6.821 -5.919 1.00 0.00 C ATOM 1314 ND1 HIS A 77 -12.052 7.792 -5.624 1.00 0.00 N ATOM 1315 CD2 HIS A 77 -11.810 5.653 -5.967 1.00 0.00 C ATOM 1316 CE1 HIS A 77 -13.241 7.238 -5.499 1.00 0.00 C ATOM 1317 NE2 HIS A 77 -13.125 5.942 -5.704 1.00 0.00 N ATOM 0 H HIS A 77 -7.659 7.197 -7.721 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.358 8.208 -7.876 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -9.150 6.207 -6.404 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -9.236 7.496 -5.220 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -11.851 8.786 -5.518 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -11.398 4.676 -6.174 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -14.158 7.760 -5.267 1.00 0.00 H new ATOM 1326 N GLU A 78 -7.952 9.880 -6.404 1.00 0.00 N ATOM 1327 CA GLU A 78 -7.664 11.155 -5.744 1.00 0.00 C ATOM 1328 C GLU A 78 -6.913 12.161 -6.620 1.00 0.00 C ATOM 1329 O GLU A 78 -6.086 12.931 -6.123 1.00 0.00 O ATOM 1330 CB GLU A 78 -6.920 10.913 -4.429 1.00 0.00 C ATOM 1331 CG GLU A 78 -7.748 10.155 -3.406 1.00 0.00 C ATOM 1332 CD GLU A 78 -9.074 10.826 -3.122 1.00 0.00 C ATOM 1333 OE1 GLU A 78 -9.070 12.022 -2.765 1.00 0.00 O ATOM 1334 OE2 GLU A 78 -10.123 10.155 -3.235 1.00 0.00 O ATOM 0 H GLU A 78 -7.134 9.331 -6.669 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.631 11.616 -5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.006 10.355 -4.633 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.620 11.872 -4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.927 9.142 -3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.183 10.068 -2.478 1.00 0.00 H new ATOM 1341 N GLY A 79 -7.274 12.213 -7.894 1.00 0.00 N ATOM 1342 CA GLY A 79 -6.703 13.187 -8.821 1.00 0.00 C ATOM 1343 C GLY A 79 -5.222 13.034 -9.170 1.00 0.00 C ATOM 1344 O GLY A 79 -4.550 14.032 -9.435 1.00 0.00 O ATOM 0 H GLY A 79 -7.963 11.589 -8.314 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.275 13.146 -9.748 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.850 14.181 -8.399 1.00 0.00 H new ATOM 1348 N TYR A 80 -4.702 11.817 -9.228 1.00 0.00 N ATOM 1349 CA TYR A 80 -3.307 11.622 -9.614 1.00 0.00 C ATOM 1350 C TYR A 80 -3.224 10.633 -10.769 1.00 0.00 C ATOM 1351 O TYR A 80 -2.449 9.671 -10.753 1.00 0.00 O ATOM 1352 CB TYR A 80 -2.447 11.185 -8.431 1.00 0.00 C ATOM 1353 CG TYR A 80 -2.228 12.304 -7.441 1.00 0.00 C ATOM 1354 CD1 TYR A 80 -1.275 13.282 -7.685 1.00 0.00 C ATOM 1355 CD2 TYR A 80 -2.963 12.390 -6.265 1.00 0.00 C ATOM 1356 CE1 TYR A 80 -1.066 14.318 -6.795 1.00 0.00 C ATOM 1357 CE2 TYR A 80 -2.756 13.424 -5.366 1.00 0.00 C ATOM 1358 CZ TYR A 80 -1.806 14.383 -5.635 1.00 0.00 C ATOM 1359 OH TYR A 80 -1.599 15.422 -4.750 1.00 0.00 O ATOM 0 H TYR A 80 -5.213 10.960 -9.017 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.905 12.578 -9.949 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.925 10.345 -7.927 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.483 10.831 -8.796 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.685 13.233 -8.588 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.708 11.639 -6.048 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.325 15.074 -7.008 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.338 13.477 -4.458 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.344 15.464 -4.115 1.00 0.00 H new ATOM 1369 N LYS A 81 -4.049 10.900 -11.775 1.00 0.00 N ATOM 1370 CA LYS A 81 -4.130 10.082 -12.971 1.00 0.00 C ATOM 1371 C LYS A 81 -2.888 10.271 -13.840 1.00 0.00 C ATOM 1372 O LYS A 81 -2.546 9.399 -14.632 1.00 0.00 O ATOM 1373 CB LYS A 81 -5.400 10.460 -13.741 1.00 0.00 C ATOM 1374 CG LYS A 81 -5.688 9.600 -14.962 1.00 0.00 C ATOM 1375 CD LYS A 81 -7.050 9.941 -15.556 1.00 0.00 C ATOM 1376 CE LYS A 81 -7.345 9.137 -16.815 1.00 0.00 C ATOM 1377 NZ LYS A 81 -6.515 9.561 -17.973 1.00 0.00 N ATOM 0 H LYS A 81 -4.684 11.698 -11.780 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.175 9.029 -12.692 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.251 10.398 -13.062 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.319 11.500 -14.058 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.911 9.753 -15.711 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.661 8.546 -14.685 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.826 9.750 -14.815 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.087 11.005 -15.789 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.170 8.080 -16.615 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.399 9.243 -17.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.768 8.994 -18.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.687 10.567 -18.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.509 9.419 -17.750 1.00 0.00 H new ATOM 1391 N ASP A 82 -2.214 11.408 -13.679 1.00 0.00 N ATOM 1392 CA ASP A 82 -1.001 11.701 -14.451 1.00 0.00 C ATOM 1393 C ASP A 82 0.136 10.769 -14.040 1.00 0.00 C ATOM 1394 O ASP A 82 0.720 10.088 -14.882 1.00 0.00 O ATOM 1395 CB ASP A 82 -0.591 13.162 -14.256 1.00 0.00 C ATOM 1396 CG ASP A 82 0.517 13.614 -15.194 1.00 0.00 C ATOM 1397 OD1 ASP A 82 0.926 12.829 -16.071 1.00 0.00 O ATOM 1398 OD2 ASP A 82 0.974 14.769 -15.059 1.00 0.00 O ATOM 0 H ASP A 82 -2.484 12.142 -13.024 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.214 11.535 -15.507 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.463 13.798 -14.405 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.264 13.305 -13.226 1.00 0.00 H new ATOM 1403 N LEU A 83 0.433 10.719 -12.745 1.00 0.00 N ATOM 1404 CA LEU A 83 1.490 9.838 -12.243 1.00 0.00 C ATOM 1405 C LEU A 83 1.157 8.409 -12.625 1.00 0.00 C ATOM 1406 O LEU A 83 1.995 7.681 -13.137 1.00 0.00 O ATOM 1407 CB LEU A 83 1.612 9.957 -10.713 1.00 0.00 C ATOM 1408 CG LEU A 83 3.024 9.808 -10.114 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.685 8.487 -10.503 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.903 10.976 -10.531 1.00 0.00 C ATOM 0 H LEU A 83 -0.037 11.271 -12.027 1.00 0.00 H new ATOM 0 HA LEU A 83 2.443 10.130 -12.684 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.218 10.929 -10.416 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.970 9.201 -10.261 1.00 0.00 H new ATOM 0 HG LEU A 83 2.912 9.808 -9.030 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.677 8.431 -10.056 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.078 7.656 -10.143 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.772 8.429 -11.588 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.897 10.856 -10.100 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.980 11.003 -11.618 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.463 11.908 -10.175 1.00 0.00 H new ATOM 1422 N ALA A 84 -0.090 8.034 -12.393 1.00 0.00 N ATOM 1423 CA ALA A 84 -0.570 6.699 -12.726 1.00 0.00 C ATOM 1424 C ALA A 84 -0.479 6.431 -14.225 1.00 0.00 C ATOM 1425 O ALA A 84 -0.198 5.313 -14.629 1.00 0.00 O ATOM 1426 CB ALA A 84 -1.998 6.534 -12.242 1.00 0.00 C ATOM 0 H ALA A 84 -0.795 8.639 -11.972 1.00 0.00 H new ATOM 0 HA ALA A 84 0.067 5.971 -12.224 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.354 5.535 -12.493 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.034 6.672 -11.161 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.634 7.277 -12.724 1.00 0.00 H new ATOM 1432 N ALA A 85 -0.694 7.460 -15.046 1.00 0.00 N ATOM 1433 CA ALA A 85 -0.598 7.304 -16.496 1.00 0.00 C ATOM 1434 C ALA A 85 0.843 6.996 -16.861 1.00 0.00 C ATOM 1435 O ALA A 85 1.114 6.201 -17.761 1.00 0.00 O ATOM 1436 CB ALA A 85 -1.087 8.547 -17.226 1.00 0.00 C ATOM 0 H ALA A 85 -0.933 8.401 -14.735 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.241 6.480 -16.807 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.001 8.395 -18.302 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.129 8.734 -16.968 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.481 9.404 -16.931 1.00 0.00 H new ATOM 1442 N LEU A 86 1.764 7.596 -16.112 1.00 0.00 N ATOM 1443 CA LEU A 86 3.192 7.352 -16.300 1.00 0.00 C ATOM 1444 C LEU A 86 3.510 5.889 -15.985 1.00 0.00 C ATOM 1445 O LEU A 86 4.531 5.349 -16.403 1.00 0.00 O ATOM 1446 CB LEU A 86 4.004 8.253 -15.368 1.00 0.00 C ATOM 1447 CG LEU A 86 3.945 9.743 -15.687 1.00 0.00 C ATOM 1448 CD1 LEU A 86 4.457 10.559 -14.517 1.00 0.00 C ATOM 1449 CD2 LEU A 86 4.757 10.043 -16.929 1.00 0.00 C ATOM 0 H LEU A 86 1.546 8.257 -15.366 1.00 0.00 H new ATOM 0 HA LEU A 86 3.454 7.572 -17.335 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.653 8.103 -14.347 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.046 7.933 -15.397 1.00 0.00 H new ATOM 0 HG LEU A 86 2.906 10.017 -15.870 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.407 11.620 -14.764 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.842 10.361 -13.639 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.490 10.284 -14.306 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.708 11.110 -17.147 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.795 9.754 -16.764 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.354 9.481 -17.772 1.00 0.00 H new ATOM 1461 N LEU A 87 2.630 5.262 -15.205 1.00 0.00 N ATOM 1462 CA LEU A 87 2.804 3.881 -14.794 1.00 0.00 C ATOM 1463 C LEU A 87 1.911 2.949 -15.607 1.00 0.00 C ATOM 1464 O LEU A 87 2.067 1.730 -15.564 1.00 0.00 O ATOM 1465 CB LEU A 87 2.447 3.741 -13.323 1.00 0.00 C ATOM 1466 CG LEU A 87 2.782 4.938 -12.427 1.00 0.00 C ATOM 1467 CD1 LEU A 87 2.535 4.590 -10.966 1.00 0.00 C ATOM 1468 CD2 LEU A 87 4.226 5.376 -12.631 1.00 0.00 C ATOM 0 H LEU A 87 1.782 5.700 -14.845 1.00 0.00 H new ATOM 0 HA LEU A 87 3.845 3.606 -14.962 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.377 3.546 -13.247 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.960 2.864 -12.928 1.00 0.00 H new ATOM 0 HG LEU A 87 2.131 5.767 -12.704 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.777 5.450 -10.341 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.487 4.324 -10.827 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.164 3.746 -10.682 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.443 6.227 -11.985 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.895 4.552 -12.382 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.376 5.663 -13.672 1.00 0.00 H new ATOM 1480 N HIS A 88 0.971 3.536 -16.342 1.00 0.00 N ATOM 1481 CA HIS A 88 0.028 2.786 -17.169 1.00 0.00 C ATOM 1482 C HIS A 88 0.781 1.953 -18.196 1.00 0.00 C ATOM 1483 O HIS A 88 0.275 0.950 -18.696 1.00 0.00 O ATOM 1484 CB HIS A 88 -0.915 3.761 -17.869 1.00 0.00 C ATOM 1485 CG HIS A 88 -2.163 3.156 -18.431 1.00 0.00 C ATOM 1486 ND1 HIS A 88 -2.963 3.823 -19.335 1.00 0.00 N ATOM 1487 CD2 HIS A 88 -2.767 1.964 -18.208 1.00 0.00 C ATOM 1488 CE1 HIS A 88 -4.005 3.076 -19.642 1.00 0.00 C ATOM 1489 NE2 HIS A 88 -3.911 1.942 -18.977 1.00 0.00 N ATOM 0 H HIS A 88 0.841 4.547 -16.382 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.553 2.114 -16.538 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.196 4.540 -17.160 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.371 4.248 -18.678 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.418 1.180 -17.552 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.799 3.347 -20.322 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.578 1.172 -19.024 1.00 0.00 H new ATOM 1498 N ASP A 89 2.008 2.367 -18.472 1.00 0.00 N ATOM 1499 CA ASP A 89 2.873 1.659 -19.414 1.00 0.00 C ATOM 1500 C ASP A 89 3.149 0.245 -18.908 1.00 0.00 C ATOM 1501 O ASP A 89 3.300 -0.695 -19.691 1.00 0.00 O ATOM 1502 CB ASP A 89 4.197 2.415 -19.586 1.00 0.00 C ATOM 1503 CG ASP A 89 5.059 1.865 -20.710 1.00 0.00 C ATOM 1504 OD1 ASP A 89 4.527 1.154 -21.587 1.00 0.00 O ATOM 1505 OD2 ASP A 89 6.274 2.166 -20.736 1.00 0.00 O ATOM 0 H ASP A 89 2.433 3.195 -18.056 1.00 0.00 H new ATOM 0 HA ASP A 89 2.368 1.602 -20.378 1.00 0.00 H new ATOM 0 HB2 ASP A 89 3.985 3.466 -19.781 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.757 2.370 -18.652 1.00 0.00 H new ATOM 1510 N GLY A 90 3.208 0.107 -17.590 1.00 0.00 N ATOM 1511 CA GLY A 90 3.465 -1.184 -16.987 1.00 0.00 C ATOM 1512 C GLY A 90 2.202 -1.870 -16.492 1.00 0.00 C ATOM 1513 O GLY A 90 2.216 -3.064 -16.215 1.00 0.00 O ATOM 0 H GLY A 90 3.082 0.871 -16.926 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.960 -1.827 -17.715 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.155 -1.058 -16.152 1.00 0.00 H new ATOM 1517 N ILE A 91 1.111 -1.118 -16.376 1.00 0.00 N ATOM 1518 CA ILE A 91 -0.158 -1.672 -15.912 1.00 0.00 C ATOM 1519 C ILE A 91 -0.785 -2.556 -16.995 1.00 0.00 C ATOM 1520 O ILE A 91 -1.188 -2.070 -18.053 1.00 0.00 O ATOM 1521 CB ILE A 91 -1.144 -0.550 -15.520 1.00 0.00 C ATOM 1522 CG1 ILE A 91 -0.543 0.327 -14.409 1.00 0.00 C ATOM 1523 CG2 ILE A 91 -2.481 -1.132 -15.068 1.00 0.00 C ATOM 1524 CD1 ILE A 91 -0.129 -0.452 -13.173 1.00 0.00 C ATOM 0 H ILE A 91 1.080 -0.123 -16.597 1.00 0.00 H new ATOM 0 HA ILE A 91 0.047 -2.278 -15.029 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.321 0.068 -16.400 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.326 0.853 -14.804 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.272 1.085 -14.123 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.158 -0.322 -14.797 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.918 -1.714 -15.880 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.323 -1.777 -14.204 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.286 0.233 -12.433 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.999 -0.957 -12.753 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.624 -1.192 -13.445 1.00 0.00 H new ATOM 1536 N PRO A 92 -0.869 -3.872 -16.749 1.00 0.00 N ATOM 1537 CA PRO A 92 -1.432 -4.830 -17.707 1.00 0.00 C ATOM 1538 C PRO A 92 -2.962 -4.742 -17.807 1.00 0.00 C ATOM 1539 O PRO A 92 -3.502 -4.250 -18.803 1.00 0.00 O ATOM 1540 CB PRO A 92 -1.009 -6.198 -17.144 1.00 0.00 C ATOM 1541 CG PRO A 92 -0.060 -5.913 -16.024 1.00 0.00 C ATOM 1542 CD PRO A 92 -0.407 -4.542 -15.531 1.00 0.00 C ATOM 0 HA PRO A 92 -1.074 -4.640 -18.719 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.874 -6.757 -16.788 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.532 -6.805 -17.913 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.161 -6.651 -15.229 1.00 0.00 H new ATOM 0 HG3 PRO A 92 0.974 -5.955 -16.368 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.182 -4.571 -14.765 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.455 -4.038 -15.093 1.00 0.00 H new