USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 988 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 128 CYS SG : rot -84:sc= -0.0161 USER MOD Set 1.2: A 129 GLN : amide:sc= -6.01! C(o=-6!,f=-8.3!) USER MOD Set 2.1: A 86 ASN :FLIP amide:sc= -4.57! C(o=-11!,f=-4.6!) USER MOD Set 2.2: A 95 THR OG1 : rot 180:sc= -0.0437 USER MOD Set 3.1: A 44 THR OG1 : rot 101:sc= -2.1! USER MOD Set 3.2: A 47 LYS NZ :NH3+ -162:sc= -0.0514! (180deg=-0.241) USER MOD Single : A 11 CYS SG : rot -113:sc= -11.5! USER MOD Single : A 19 CYS SG : rot 41:sc= -0.919! USER MOD Single : A 35 GLN :FLIP amide:sc= -2.36 F(o=-4.3!,f=-2.4) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS :FLIP no HD1:sc= -1.43 F(o=-4.1!,f=-1.4) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -3.12! C(o=-7.8!,f=-3.1!) USER MOD Single : A 59 THR OG1 : rot -69:sc= -3.78! USER MOD Single : A 64 THR OG1 : rot 74:sc= -2.67! USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -3.89! C(o=-3.9!,f=-8.7!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot -161:sc= -0.621 USER MOD Single : A 104 LYS NZ :NH3+ -177:sc= -3.34! (180deg=-3.47!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 95:sc= 0.00781 USER MOD Single : A 114 HIS :FLIP no HD1:sc= -2.52! C(o=-4.3!,f=-2.5!) USER MOD Single : A 116 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-3.4!) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.12) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 MET CE :methyl -128:sc= -6.68! (180deg=-15.7!) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 GLN :FLIP amide:sc=-0.00663 F(o=-1.4!,f=-0.0066) USER MOD Single : A 144 HIS : no HE2:sc= -14.7! C(o=-15!,f=-23!) USER MOD Single : A 145 GLN : amide:sc= -0.0728 X(o=-0.073,f=-0.21) USER MOD Single : A 148 CYS SG : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot 72:sc= 0.159 USER MOD ----------------------------------------------------------------- ATOM 105 N ARG A 9 12.040 -3.515 -6.934 1.00 0.00 N ATOM 106 CA ARG A 9 11.138 -2.432 -7.405 1.00 0.00 C ATOM 107 C ARG A 9 10.119 -3.045 -8.359 1.00 0.00 C ATOM 108 O ARG A 9 10.467 -3.764 -9.275 1.00 0.00 O ATOM 109 CB ARG A 9 11.939 -1.337 -8.121 1.00 0.00 C ATOM 110 CG ARG A 9 12.258 -1.751 -9.559 1.00 0.00 C ATOM 111 CD ARG A 9 13.099 -0.655 -10.213 1.00 0.00 C ATOM 112 NE ARG A 9 13.280 -0.960 -11.660 1.00 0.00 N ATOM 113 CZ ARG A 9 14.331 -1.620 -12.069 1.00 0.00 C ATOM 114 NH1 ARG A 9 15.227 -2.027 -11.210 1.00 0.00 N ATOM 115 NH2 ARG A 9 14.483 -1.876 -13.339 1.00 0.00 N ATOM 0 HA ARG A 9 10.633 -1.975 -6.554 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.371 -0.407 -8.123 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.865 -1.144 -7.579 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.799 -2.697 -9.568 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.337 -1.905 -10.120 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.611 0.312 -10.093 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.069 -0.585 -9.722 1.00 0.00 H new ATOM 0 HE ARG A 9 12.580 -0.652 -12.335 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.107 -1.830 -10.216 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.046 -2.542 -11.533 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.782 -1.561 -14.010 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.302 -2.391 -13.661 1.00 0.00 H new ATOM 129 N ALA A 10 8.866 -2.775 -8.155 1.00 0.00 N ATOM 130 CA ALA A 10 7.832 -3.349 -9.053 1.00 0.00 C ATOM 131 C ALA A 10 7.153 -2.215 -9.810 1.00 0.00 C ATOM 132 O ALA A 10 7.337 -1.053 -9.506 1.00 0.00 O ATOM 133 CB ALA A 10 6.795 -4.114 -8.226 1.00 0.00 C ATOM 0 H ALA A 10 8.511 -2.181 -7.405 1.00 0.00 H new ATOM 0 HA ALA A 10 8.297 -4.037 -9.759 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.038 -4.533 -8.889 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.287 -4.920 -7.681 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.321 -3.434 -7.518 1.00 0.00 H new ATOM 139 N CYS A 11 6.385 -2.531 -10.804 1.00 0.00 N ATOM 140 CA CYS A 11 5.714 -1.460 -11.576 1.00 0.00 C ATOM 141 C CYS A 11 4.323 -1.929 -11.994 1.00 0.00 C ATOM 142 O CYS A 11 4.126 -3.071 -12.357 1.00 0.00 O ATOM 143 CB CYS A 11 6.559 -1.134 -12.807 1.00 0.00 C ATOM 144 SG CYS A 11 8.146 -1.996 -12.692 1.00 0.00 S ATOM 0 H CYS A 11 6.192 -3.483 -11.116 1.00 0.00 H new ATOM 0 HA CYS A 11 5.610 -0.564 -10.964 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.033 -1.436 -13.713 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.721 -0.058 -12.876 1.00 0.00 H new ATOM 0 HG CYS A 11 9.102 -1.127 -12.547 1.00 0.00 H new ATOM 150 N GLY A 12 3.353 -1.059 -11.936 1.00 0.00 N ATOM 151 CA GLY A 12 1.969 -1.457 -12.326 1.00 0.00 C ATOM 152 C GLY A 12 1.278 -0.298 -13.045 1.00 0.00 C ATOM 153 O GLY A 12 1.808 0.792 -13.141 1.00 0.00 O ATOM 0 H GLY A 12 3.458 -0.090 -11.636 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.002 -2.332 -12.976 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.399 -1.739 -11.441 1.00 0.00 H new ATOM 157 N LEU A 13 0.094 -0.524 -13.549 1.00 0.00 N ATOM 158 CA LEU A 13 -0.636 0.563 -14.261 1.00 0.00 C ATOM 159 C LEU A 13 -1.900 0.946 -13.504 1.00 0.00 C ATOM 160 O LEU A 13 -2.746 0.114 -13.238 1.00 0.00 O ATOM 161 CB LEU A 13 -1.084 0.083 -15.646 1.00 0.00 C ATOM 162 CG LEU A 13 0.110 -0.186 -16.552 1.00 0.00 C ATOM 163 CD1 LEU A 13 -0.403 -0.519 -17.953 1.00 0.00 C ATOM 164 CD2 LEU A 13 0.976 1.064 -16.632 1.00 0.00 C ATOM 0 H LEU A 13 -0.399 -1.416 -13.498 1.00 0.00 H new ATOM 0 HA LEU A 13 0.043 1.412 -14.338 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.677 -0.826 -15.544 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.728 0.835 -16.103 1.00 0.00 H new ATOM 0 HG LEU A 13 0.696 -1.015 -16.154 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.442 -0.714 -18.613 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.039 -1.403 -17.907 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.978 0.322 -18.339 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.831 0.873 -17.280 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.389 1.888 -17.038 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.328 1.327 -15.635 1.00 0.00 H new ATOM 176 N ILE A 14 -2.086 2.203 -13.226 1.00 0.00 N ATOM 177 CA ILE A 14 -3.354 2.602 -12.577 1.00 0.00 C ATOM 178 C ILE A 14 -4.419 2.418 -13.647 1.00 0.00 C ATOM 179 O ILE A 14 -4.704 3.315 -14.415 1.00 0.00 O ATOM 180 CB ILE A 14 -3.281 4.071 -12.156 1.00 0.00 C ATOM 181 CG1 ILE A 14 -2.289 4.223 -11.004 1.00 0.00 C ATOM 182 CG2 ILE A 14 -4.661 4.573 -11.728 1.00 0.00 C ATOM 183 CD1 ILE A 14 -2.734 3.370 -9.813 1.00 0.00 C ATOM 0 H ILE A 14 -1.426 2.957 -13.417 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.565 2.015 -11.683 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.945 4.667 -13.005 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.294 3.919 -11.328 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.222 5.270 -10.707 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.592 5.620 -11.432 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.357 4.477 -12.561 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.019 3.980 -10.886 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.021 3.485 -8.997 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.720 3.694 -9.481 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.778 2.323 -10.112 1.00 0.00 H new ATOM 195 N ILE A 15 -4.973 1.244 -13.739 1.00 0.00 N ATOM 196 CA ILE A 15 -5.974 0.996 -14.803 1.00 0.00 C ATOM 197 C ILE A 15 -7.314 1.594 -14.417 1.00 0.00 C ATOM 198 O ILE A 15 -7.854 1.333 -13.360 1.00 0.00 O ATOM 199 CB ILE A 15 -6.126 -0.509 -15.027 1.00 0.00 C ATOM 200 CG1 ILE A 15 -4.779 -1.098 -15.455 1.00 0.00 C ATOM 201 CG2 ILE A 15 -7.163 -0.763 -16.122 1.00 0.00 C ATOM 202 CD1 ILE A 15 -5.020 -2.397 -16.223 1.00 0.00 C ATOM 0 H ILE A 15 -4.776 0.452 -13.127 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.632 1.467 -15.724 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.454 -0.982 -14.101 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.240 -0.387 -16.080 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.157 -1.289 -14.580 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.270 -1.836 -16.280 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.122 -0.344 -15.819 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.837 -0.290 -17.049 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.064 -2.821 -16.530 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.542 -3.107 -15.582 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.626 -2.191 -17.105 1.00 0.00 H new ATOM 214 N PHE A 16 -7.858 2.386 -15.288 1.00 0.00 N ATOM 215 CA PHE A 16 -9.171 3.002 -15.008 1.00 0.00 C ATOM 216 C PHE A 16 -9.922 3.172 -16.326 1.00 0.00 C ATOM 217 O PHE A 16 -9.333 3.297 -17.381 1.00 0.00 O ATOM 218 CB PHE A 16 -8.977 4.371 -14.359 1.00 0.00 C ATOM 219 CG PHE A 16 -8.510 5.352 -15.398 1.00 0.00 C ATOM 220 CD1 PHE A 16 -9.444 5.990 -16.218 1.00 0.00 C ATOM 221 CD2 PHE A 16 -7.146 5.635 -15.533 1.00 0.00 C ATOM 222 CE1 PHE A 16 -9.018 6.911 -17.176 1.00 0.00 C ATOM 223 CE2 PHE A 16 -6.716 6.554 -16.494 1.00 0.00 C ATOM 224 CZ PHE A 16 -7.655 7.196 -17.317 1.00 0.00 C ATOM 0 H PHE A 16 -7.445 2.634 -16.187 1.00 0.00 H new ATOM 0 HA PHE A 16 -9.737 2.364 -14.329 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -9.912 4.712 -13.915 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.247 4.304 -13.552 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -10.496 5.770 -16.110 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.426 5.144 -14.895 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.741 7.404 -17.809 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.663 6.770 -16.603 1.00 0.00 H new ATOM 0 HZ PHE A 16 -7.326 7.909 -18.058 1.00 0.00 H new ATOM 234 N ARG A 17 -11.215 3.174 -16.269 1.00 0.00 N ATOM 235 CA ARG A 17 -12.020 3.334 -17.509 1.00 0.00 C ATOM 236 C ARG A 17 -12.953 4.538 -17.360 1.00 0.00 C ATOM 237 O ARG A 17 -13.731 4.616 -16.432 1.00 0.00 O ATOM 238 CB ARG A 17 -12.853 2.068 -17.717 1.00 0.00 C ATOM 239 CG ARG A 17 -13.758 2.227 -18.939 1.00 0.00 C ATOM 240 CD ARG A 17 -14.705 1.030 -19.019 1.00 0.00 C ATOM 241 NE ARG A 17 -15.508 0.950 -17.766 1.00 0.00 N ATOM 242 CZ ARG A 17 -16.130 -0.154 -17.457 1.00 0.00 C ATOM 243 NH1 ARG A 17 -16.061 -1.186 -18.253 1.00 0.00 N ATOM 244 NH2 ARG A 17 -16.822 -0.226 -16.353 1.00 0.00 N ATOM 0 H ARG A 17 -11.758 3.071 -15.412 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.362 3.494 -18.363 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.195 1.209 -17.852 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.457 1.871 -16.831 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.328 3.153 -18.867 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.157 2.292 -19.846 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.365 1.131 -19.881 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -14.136 0.111 -19.159 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.571 1.760 -17.149 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.521 -1.129 -19.116 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.547 -2.050 -18.012 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.876 0.581 -15.732 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.308 -1.089 -16.111 1.00 0.00 H new ATOM 258 N ARG A 18 -12.889 5.475 -18.271 1.00 0.00 N ATOM 259 CA ARG A 18 -13.786 6.659 -18.168 1.00 0.00 C ATOM 260 C ARG A 18 -15.015 6.446 -19.054 1.00 0.00 C ATOM 261 O ARG A 18 -14.910 6.049 -20.197 1.00 0.00 O ATOM 262 CB ARG A 18 -13.044 7.931 -18.589 1.00 0.00 C ATOM 263 CG ARG A 18 -12.708 7.880 -20.078 1.00 0.00 C ATOM 264 CD ARG A 18 -11.794 9.060 -20.424 1.00 0.00 C ATOM 265 NE ARG A 18 -12.590 10.128 -21.092 1.00 0.00 N ATOM 266 CZ ARG A 18 -11.983 11.154 -21.625 1.00 0.00 C ATOM 267 NH1 ARG A 18 -10.682 11.245 -21.568 1.00 0.00 N ATOM 268 NH2 ARG A 18 -12.678 12.091 -22.212 1.00 0.00 N ATOM 0 H ARG A 18 -12.260 5.470 -19.074 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.104 6.776 -17.132 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.659 8.806 -18.378 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.129 8.036 -18.006 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.215 6.938 -20.321 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.621 7.924 -20.672 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.329 9.451 -19.519 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.988 8.729 -21.079 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.607 10.058 -21.133 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.139 10.515 -21.107 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.208 12.046 -21.984 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.695 12.021 -22.254 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.204 12.893 -22.628 1.00 0.00 H new ATOM 282 N CYS A 19 -16.183 6.698 -18.528 1.00 0.00 N ATOM 283 CA CYS A 19 -17.421 6.500 -19.332 1.00 0.00 C ATOM 284 C CYS A 19 -17.819 7.820 -19.992 1.00 0.00 C ATOM 285 O CYS A 19 -17.192 8.841 -19.789 1.00 0.00 O ATOM 286 CB CYS A 19 -18.552 6.024 -18.420 1.00 0.00 C ATOM 287 SG CYS A 19 -17.859 5.069 -17.047 1.00 0.00 S ATOM 0 H CYS A 19 -16.333 7.032 -17.576 1.00 0.00 H new ATOM 0 HA CYS A 19 -17.236 5.751 -20.102 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -19.109 6.879 -18.037 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -19.255 5.412 -18.984 1.00 0.00 H new ATOM 0 HG CYS A 19 -16.775 5.646 -16.621 1.00 0.00 H new ATOM 424 N ALA A 28 -18.074 8.557 -14.165 1.00 0.00 N ATOM 425 CA ALA A 28 -17.611 8.151 -15.519 1.00 0.00 C ATOM 426 C ALA A 28 -16.261 7.446 -15.402 1.00 0.00 C ATOM 427 O ALA A 28 -15.912 6.623 -16.222 1.00 0.00 O ATOM 428 CB ALA A 28 -17.460 9.392 -16.401 1.00 0.00 C ATOM 0 HA ALA A 28 -18.340 7.475 -15.965 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.121 9.094 -17.393 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.421 9.899 -16.483 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.730 10.068 -15.956 1.00 0.00 H new ATOM 434 N ILE A 29 -15.495 7.764 -14.391 1.00 0.00 N ATOM 435 CA ILE A 29 -14.158 7.118 -14.237 1.00 0.00 C ATOM 436 C ILE A 29 -14.201 6.046 -13.146 1.00 0.00 C ATOM 437 O ILE A 29 -14.707 6.260 -12.062 1.00 0.00 O ATOM 438 CB ILE A 29 -13.122 8.179 -13.868 1.00 0.00 C ATOM 439 CG1 ILE A 29 -13.097 9.261 -14.959 1.00 0.00 C ATOM 440 CG2 ILE A 29 -11.747 7.525 -13.733 1.00 0.00 C ATOM 441 CD1 ILE A 29 -11.690 9.392 -15.551 1.00 0.00 C ATOM 0 H ILE A 29 -15.737 8.441 -13.667 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.886 6.645 -15.181 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.384 8.640 -12.916 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.807 9.009 -15.746 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.412 10.216 -14.540 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.008 8.282 -13.470 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.781 6.764 -12.953 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.470 7.062 -14.680 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.690 10.162 -16.322 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.988 9.667 -14.764 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.390 8.440 -15.989 1.00 0.00 H new ATOM 453 N GLU A 30 -13.659 4.894 -13.436 1.00 0.00 N ATOM 454 CA GLU A 30 -13.645 3.791 -12.436 1.00 0.00 C ATOM 455 C GLU A 30 -12.256 3.151 -12.414 1.00 0.00 C ATOM 456 O GLU A 30 -11.520 3.228 -13.375 1.00 0.00 O ATOM 457 CB GLU A 30 -14.690 2.741 -12.826 1.00 0.00 C ATOM 458 CG GLU A 30 -16.081 3.377 -12.815 1.00 0.00 C ATOM 459 CD GLU A 30 -17.133 2.313 -13.129 1.00 0.00 C ATOM 460 OE1 GLU A 30 -18.309 2.611 -12.988 1.00 0.00 O ATOM 461 OE2 GLU A 30 -16.747 1.219 -13.504 1.00 0.00 O ATOM 0 H GLU A 30 -13.222 4.669 -14.330 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.880 4.185 -11.447 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.469 2.342 -13.816 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.656 1.903 -12.130 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.280 3.824 -11.841 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.131 4.180 -13.550 1.00 0.00 H new ATOM 469 N PHE A 31 -11.892 2.515 -11.333 1.00 0.00 N ATOM 470 CA PHE A 31 -10.545 1.873 -11.270 1.00 0.00 C ATOM 471 C PHE A 31 -10.688 0.358 -11.321 1.00 0.00 C ATOM 472 O PHE A 31 -11.588 -0.216 -10.738 1.00 0.00 O ATOM 473 CB PHE A 31 -9.835 2.245 -9.968 1.00 0.00 C ATOM 474 CG PHE A 31 -9.480 3.706 -9.969 1.00 0.00 C ATOM 475 CD1 PHE A 31 -8.542 4.199 -10.882 1.00 0.00 C ATOM 476 CD2 PHE A 31 -10.079 4.564 -9.047 1.00 0.00 C ATOM 477 CE1 PHE A 31 -8.208 5.558 -10.874 1.00 0.00 C ATOM 478 CE2 PHE A 31 -9.748 5.918 -9.035 1.00 0.00 C ATOM 479 CZ PHE A 31 -8.812 6.419 -9.948 1.00 0.00 C ATOM 0 H PHE A 31 -12.464 2.412 -10.495 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.962 2.226 -12.121 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.478 2.020 -9.117 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.933 1.644 -9.853 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.076 3.532 -11.592 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -10.800 4.179 -8.341 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.486 5.942 -11.580 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.214 6.581 -8.321 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.556 7.468 -9.939 1.00 0.00 H new ATOM 489 N LEU A 32 -9.792 -0.296 -11.999 1.00 0.00 N ATOM 490 CA LEU A 32 -9.847 -1.776 -12.075 1.00 0.00 C ATOM 491 C LEU A 32 -8.819 -2.360 -11.092 1.00 0.00 C ATOM 492 O LEU A 32 -7.625 -2.257 -11.289 1.00 0.00 O ATOM 493 CB LEU A 32 -9.547 -2.199 -13.526 1.00 0.00 C ATOM 494 CG LEU A 32 -9.194 -3.693 -13.602 1.00 0.00 C ATOM 495 CD1 LEU A 32 -10.453 -4.541 -13.463 1.00 0.00 C ATOM 496 CD2 LEU A 32 -8.557 -4.003 -14.955 1.00 0.00 C ATOM 0 H LEU A 32 -9.019 0.135 -12.507 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.832 -2.152 -11.800 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.413 -1.994 -14.155 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.721 -1.606 -13.918 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.501 -3.924 -12.793 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.188 -5.597 -13.519 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.926 -4.335 -12.503 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.146 -4.298 -14.268 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.308 -5.063 -15.006 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.258 -3.757 -15.752 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.650 -3.411 -15.074 1.00 0.00 H new ATOM 508 N LEU A 33 -9.287 -2.972 -10.029 1.00 0.00 N ATOM 509 CA LEU A 33 -8.358 -3.569 -9.017 1.00 0.00 C ATOM 510 C LEU A 33 -8.491 -5.090 -9.052 1.00 0.00 C ATOM 511 O LEU A 33 -9.498 -5.617 -9.473 1.00 0.00 O ATOM 512 CB LEU A 33 -8.727 -3.087 -7.609 1.00 0.00 C ATOM 513 CG LEU A 33 -8.365 -1.611 -7.429 1.00 0.00 C ATOM 514 CD1 LEU A 33 -9.048 -1.078 -6.168 1.00 0.00 C ATOM 515 CD2 LEU A 33 -6.852 -1.471 -7.262 1.00 0.00 C ATOM 0 H LEU A 33 -10.279 -3.084 -9.818 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.338 -3.265 -9.253 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.794 -3.228 -7.439 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.204 -3.688 -6.865 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.694 -1.049 -8.303 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.794 -0.026 -6.034 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.129 -1.181 -6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.708 -1.647 -5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.596 -0.419 -7.134 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.529 -2.032 -6.385 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.351 -1.861 -8.148 1.00 0.00 H new ATOM 527 N LEU A 34 -7.484 -5.796 -8.614 1.00 0.00 N ATOM 528 CA LEU A 34 -7.561 -7.285 -8.624 1.00 0.00 C ATOM 529 C LEU A 34 -7.462 -7.840 -7.205 1.00 0.00 C ATOM 530 O LEU A 34 -6.654 -7.400 -6.410 1.00 0.00 O ATOM 531 CB LEU A 34 -6.411 -7.853 -9.453 1.00 0.00 C ATOM 532 CG LEU A 34 -6.474 -7.298 -10.874 1.00 0.00 C ATOM 533 CD1 LEU A 34 -5.484 -8.051 -11.760 1.00 0.00 C ATOM 534 CD2 LEU A 34 -7.883 -7.492 -11.422 1.00 0.00 C ATOM 0 H LEU A 34 -6.614 -5.408 -8.251 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.518 -7.575 -9.057 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.457 -7.594 -8.994 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.469 -8.941 -9.475 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.221 -6.238 -10.864 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.529 -7.655 -12.774 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.475 -7.926 -11.366 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.740 -9.110 -11.773 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.936 -7.098 -12.437 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.126 -8.554 -11.432 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.596 -6.962 -10.789 1.00 0.00 H new ATOM 546 N GLN A 35 -8.253 -8.833 -6.893 1.00 0.00 N ATOM 547 CA GLN A 35 -8.174 -9.445 -5.540 1.00 0.00 C ATOM 548 C GLN A 35 -7.483 -10.798 -5.680 1.00 0.00 C ATOM 549 O GLN A 35 -8.096 -11.786 -6.033 1.00 0.00 O ATOM 550 CB GLN A 35 -9.574 -9.645 -4.960 1.00 0.00 C ATOM 551 CG GLN A 35 -9.523 -9.453 -3.442 1.00 0.00 C ATOM 552 CD GLN A 35 -10.899 -9.749 -2.842 1.00 0.00 C ATOM 553 OE1 GLN A 35 -11.909 -9.985 -3.634 1.00 0.00 O flip ATOM 554 NE2 GLN A 35 -11.056 -9.767 -1.637 1.00 0.00 N flip ATOM 0 H GLN A 35 -8.948 -9.244 -7.517 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.617 -8.791 -4.869 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.270 -8.934 -5.405 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.941 -10.643 -5.200 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.775 -10.115 -3.006 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.223 -8.433 -3.204 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.267 -9.583 -1.017 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.977 -9.966 -1.246 1.00 0.00 H new ATOM 563 N ALA A 36 -6.208 -10.849 -5.428 1.00 0.00 N ATOM 564 CA ALA A 36 -5.478 -12.135 -5.572 1.00 0.00 C ATOM 565 C ALA A 36 -6.163 -13.211 -4.731 1.00 0.00 C ATOM 566 O ALA A 36 -6.577 -12.970 -3.617 1.00 0.00 O ATOM 567 CB ALA A 36 -4.038 -11.953 -5.098 1.00 0.00 C ATOM 0 H ALA A 36 -5.640 -10.056 -5.129 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.482 -12.441 -6.618 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.499 -12.895 -5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.550 -11.187 -5.701 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.035 -11.647 -4.052 1.00 0.00 H new ATOM 573 N SER A 37 -6.286 -14.398 -5.256 1.00 0.00 N ATOM 574 CA SER A 37 -6.944 -15.487 -4.479 1.00 0.00 C ATOM 575 C SER A 37 -5.878 -16.257 -3.701 1.00 0.00 C ATOM 576 O SER A 37 -6.169 -16.950 -2.745 1.00 0.00 O ATOM 577 CB SER A 37 -7.672 -16.432 -5.435 1.00 0.00 C ATOM 578 OG SER A 37 -8.142 -17.562 -4.711 1.00 0.00 O ATOM 0 H SER A 37 -5.961 -14.661 -6.186 1.00 0.00 H new ATOM 0 HA SER A 37 -7.667 -15.060 -3.784 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.507 -15.916 -5.909 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.000 -16.750 -6.232 1.00 0.00 H new ATOM 0 HG SER A 37 -8.611 -18.169 -5.321 1.00 0.00 H new ATOM 641 N HIS A 42 -6.117 -9.786 -1.040 1.00 0.00 N ATOM 642 CA HIS A 42 -5.997 -8.304 -0.956 1.00 0.00 C ATOM 643 C HIS A 42 -6.336 -7.691 -2.316 1.00 0.00 C ATOM 644 O HIS A 42 -6.190 -8.323 -3.342 1.00 0.00 O ATOM 645 CB HIS A 42 -4.560 -7.936 -0.581 1.00 0.00 C ATOM 646 CG HIS A 42 -3.624 -8.364 -1.683 1.00 0.00 C ATOM 647 ND1 HIS A 42 -3.531 -7.998 -3.005 1.00 0.00 N flip ATOM 648 CD2 HIS A 42 -2.616 -9.297 -1.477 1.00 0.00 C flip ATOM 649 CE1 HIS A 42 -2.485 -8.690 -3.604 1.00 0.00 C flip ATOM 650 NE2 HIS A 42 -1.966 -9.458 -2.646 1.00 0.00 N flip ATOM 0 HA HIS A 42 -6.684 -7.922 -0.201 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.480 -6.861 -0.419 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -4.282 -8.421 0.355 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -2.394 -9.802 -0.548 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -2.160 -8.620 -4.632 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -1.176 -10.089 -2.781 1.00 0.00 H new ATOM 659 N TRP A 43 -6.780 -6.463 -2.334 1.00 0.00 N ATOM 660 CA TRP A 43 -7.124 -5.813 -3.631 1.00 0.00 C ATOM 661 C TRP A 43 -5.958 -4.947 -4.106 1.00 0.00 C ATOM 662 O TRP A 43 -5.356 -4.224 -3.339 1.00 0.00 O ATOM 663 CB TRP A 43 -8.353 -4.921 -3.450 1.00 0.00 C ATOM 664 CG TRP A 43 -9.602 -5.737 -3.533 1.00 0.00 C ATOM 665 CD1 TRP A 43 -10.362 -6.111 -2.479 1.00 0.00 C ATOM 666 CD2 TRP A 43 -10.254 -6.270 -4.718 1.00 0.00 C ATOM 667 NE1 TRP A 43 -11.438 -6.844 -2.943 1.00 0.00 N ATOM 668 CE2 TRP A 43 -11.416 -6.971 -4.317 1.00 0.00 C ATOM 669 CE3 TRP A 43 -9.952 -6.213 -6.090 1.00 0.00 C ATOM 670 CZ2 TRP A 43 -12.247 -7.596 -5.245 1.00 0.00 C ATOM 671 CZ3 TRP A 43 -10.785 -6.843 -7.027 1.00 0.00 C ATOM 672 CH2 TRP A 43 -11.931 -7.531 -6.605 1.00 0.00 C ATOM 0 H TRP A 43 -6.919 -5.882 -1.507 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.331 -6.589 -4.368 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.305 -4.415 -2.486 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.365 -4.146 -4.217 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -10.161 -5.876 -1.444 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -12.160 -7.242 -2.343 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.074 -5.681 -6.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -13.128 -8.126 -4.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.542 -6.798 -8.078 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -12.570 -8.011 -7.331 1.00 0.00 H new ATOM 683 N THR A 44 -5.645 -5.002 -5.370 1.00 0.00 N ATOM 684 CA THR A 44 -4.531 -4.169 -5.901 1.00 0.00 C ATOM 685 C THR A 44 -4.574 -4.199 -7.431 1.00 0.00 C ATOM 686 O THR A 44 -4.972 -5.185 -8.020 1.00 0.00 O ATOM 687 CB THR A 44 -3.193 -4.729 -5.413 1.00 0.00 C ATOM 688 OG1 THR A 44 -2.131 -4.015 -6.029 1.00 0.00 O ATOM 689 CG2 THR A 44 -3.089 -6.213 -5.774 1.00 0.00 C ATOM 0 H THR A 44 -6.114 -5.589 -6.060 1.00 0.00 H new ATOM 0 HA THR A 44 -4.637 -3.143 -5.549 1.00 0.00 H new ATOM 0 HB THR A 44 -3.129 -4.619 -4.331 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.772 -3.355 -5.400 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.135 -6.607 -5.424 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.903 -6.761 -5.299 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.155 -6.330 -6.856 1.00 0.00 H new ATOM 697 N PRO A 45 -4.171 -3.134 -8.079 1.00 0.00 N ATOM 698 CA PRO A 45 -4.177 -3.074 -9.559 1.00 0.00 C ATOM 699 C PRO A 45 -3.094 -3.961 -10.171 1.00 0.00 C ATOM 700 O PRO A 45 -2.162 -4.366 -9.504 1.00 0.00 O ATOM 701 CB PRO A 45 -3.923 -1.610 -9.909 1.00 0.00 C ATOM 702 CG PRO A 45 -3.486 -0.925 -8.655 1.00 0.00 C ATOM 703 CD PRO A 45 -3.669 -1.891 -7.478 1.00 0.00 C ATOM 0 HA PRO A 45 -5.124 -3.438 -9.957 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.157 -1.526 -10.680 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.827 -1.147 -10.305 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.443 -0.620 -8.735 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.071 -0.020 -8.495 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.727 -2.058 -6.955 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.374 -1.494 -6.747 1.00 0.00 H new ATOM 711 N PRO A 46 -3.223 -4.263 -11.430 1.00 0.00 N ATOM 712 CA PRO A 46 -2.247 -5.127 -12.160 1.00 0.00 C ATOM 713 C PRO A 46 -0.800 -4.624 -12.030 1.00 0.00 C ATOM 714 O PRO A 46 -0.351 -3.798 -12.799 1.00 0.00 O ATOM 715 CB PRO A 46 -2.712 -5.036 -13.612 1.00 0.00 C ATOM 716 CG PRO A 46 -4.159 -4.687 -13.541 1.00 0.00 C ATOM 717 CD PRO A 46 -4.315 -3.809 -12.310 1.00 0.00 C ATOM 0 HA PRO A 46 -2.230 -6.142 -11.763 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.151 -4.277 -14.158 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.561 -5.981 -14.133 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.478 -4.160 -14.440 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.774 -5.584 -13.462 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.221 -2.751 -12.556 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.290 -3.942 -11.842 1.00 0.00 H new ATOM 725 N LYS A 47 -0.067 -5.124 -11.070 1.00 0.00 N ATOM 726 CA LYS A 47 1.350 -4.682 -10.902 1.00 0.00 C ATOM 727 C LYS A 47 2.231 -5.897 -10.588 1.00 0.00 C ATOM 728 O LYS A 47 1.844 -6.776 -9.844 1.00 0.00 O ATOM 729 CB LYS A 47 1.439 -3.674 -9.752 1.00 0.00 C ATOM 730 CG LYS A 47 1.256 -4.397 -8.418 1.00 0.00 C ATOM 731 CD LYS A 47 1.195 -3.372 -7.292 1.00 0.00 C ATOM 732 CE LYS A 47 1.230 -4.096 -5.949 1.00 0.00 C ATOM 733 NZ LYS A 47 0.004 -4.928 -5.801 1.00 0.00 N ATOM 0 H LYS A 47 -0.387 -5.819 -10.395 1.00 0.00 H new ATOM 0 HA LYS A 47 1.695 -4.212 -11.823 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.404 -3.168 -9.773 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.674 -2.906 -9.869 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.341 -4.990 -8.435 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.081 -5.089 -8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.035 -2.681 -7.368 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.285 -2.778 -7.374 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.118 -4.724 -5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.292 -3.373 -5.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.130 -5.173 -4.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.821 -4.394 -6.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.106 -5.799 -6.360 1.00 0.00 H new ATOM 747 N GLY A 48 3.415 -5.955 -11.142 1.00 0.00 N ATOM 748 CA GLY A 48 4.308 -7.120 -10.866 1.00 0.00 C ATOM 749 C GLY A 48 5.741 -6.638 -10.617 1.00 0.00 C ATOM 750 O GLY A 48 6.106 -5.533 -10.963 1.00 0.00 O ATOM 0 H GLY A 48 3.800 -5.250 -11.770 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.945 -7.669 -9.997 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.290 -7.810 -11.710 1.00 0.00 H new ATOM 754 N HIS A 49 6.559 -7.470 -10.021 1.00 0.00 N ATOM 755 CA HIS A 49 7.973 -7.076 -9.749 1.00 0.00 C ATOM 756 C HIS A 49 8.717 -6.903 -11.072 1.00 0.00 C ATOM 757 O HIS A 49 8.253 -7.325 -12.113 1.00 0.00 O ATOM 758 CB HIS A 49 8.654 -8.160 -8.919 1.00 0.00 C ATOM 759 CG HIS A 49 10.146 -7.960 -8.956 1.00 0.00 C ATOM 760 ND1 HIS A 49 10.947 -6.906 -8.577 1.00 0.00 N flip ATOM 761 CD2 HIS A 49 11.009 -8.931 -9.447 1.00 0.00 C flip ATOM 762 CE1 HIS A 49 12.276 -7.222 -8.827 1.00 0.00 C flip ATOM 763 NE2 HIS A 49 12.262 -8.449 -9.349 1.00 0.00 N flip ATOM 0 H HIS A 49 6.306 -8.408 -9.711 1.00 0.00 H new ATOM 0 HA HIS A 49 7.988 -6.135 -9.198 1.00 0.00 H new ATOM 0 HB2 HIS A 49 8.297 -8.123 -7.890 1.00 0.00 H new ATOM 0 HB3 HIS A 49 8.399 -9.145 -9.309 1.00 0.00 H new ATOM 0 HD2 HIS A 49 10.726 -9.898 -9.837 1.00 0.00 H new ATOM 0 HE1 HIS A 49 13.141 -6.603 -8.638 1.00 0.00 H new ATOM 0 HE2 HIS A 49 13.097 -8.959 -9.638 1.00 0.00 H new ATOM 772 N VAL A 50 9.866 -6.282 -11.050 1.00 0.00 N ATOM 773 CA VAL A 50 10.617 -6.085 -12.320 1.00 0.00 C ATOM 774 C VAL A 50 11.649 -7.200 -12.497 1.00 0.00 C ATOM 775 O VAL A 50 12.458 -7.460 -11.630 1.00 0.00 O ATOM 776 CB VAL A 50 11.312 -4.719 -12.296 1.00 0.00 C ATOM 777 CG1 VAL A 50 12.806 -4.884 -11.995 1.00 0.00 C ATOM 778 CG2 VAL A 50 11.142 -4.041 -13.655 1.00 0.00 C ATOM 0 H VAL A 50 10.313 -5.906 -10.214 1.00 0.00 H new ATOM 0 HA VAL A 50 9.922 -6.118 -13.159 1.00 0.00 H new ATOM 0 HB VAL A 50 10.860 -4.107 -11.515 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.285 -3.905 -11.982 1.00 0.00 H new ATOM 0 HG12 VAL A 50 12.931 -5.362 -11.024 1.00 0.00 H new ATOM 0 HG13 VAL A 50 13.266 -5.502 -12.766 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.635 -3.069 -13.641 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.588 -4.663 -14.431 1.00 0.00 H new ATOM 0 HG23 VAL A 50 10.081 -3.906 -13.864 1.00 0.00 H new ATOM 841 N ASP A 55 11.324 -3.968 -18.469 1.00 0.00 N ATOM 842 CA ASP A 55 11.704 -2.604 -18.002 1.00 0.00 C ATOM 843 C ASP A 55 10.772 -2.184 -16.863 1.00 0.00 C ATOM 844 O ASP A 55 9.861 -2.901 -16.503 1.00 0.00 O ATOM 845 CB ASP A 55 11.567 -1.612 -19.156 1.00 0.00 C ATOM 846 CG ASP A 55 12.473 -0.404 -18.905 1.00 0.00 C ATOM 847 OD1 ASP A 55 12.447 0.509 -19.714 1.00 0.00 O ATOM 848 OD2 ASP A 55 13.179 -0.412 -17.908 1.00 0.00 O ATOM 0 HA ASP A 55 12.736 -2.614 -17.651 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.837 -2.093 -20.096 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.530 -1.289 -19.250 1.00 0.00 H new ATOM 854 N ASP A 56 10.991 -1.031 -16.291 1.00 0.00 N ATOM 855 CA ASP A 56 10.112 -0.580 -15.173 1.00 0.00 C ATOM 856 C ASP A 56 8.670 -0.453 -15.673 1.00 0.00 C ATOM 857 O ASP A 56 7.778 -1.111 -15.177 1.00 0.00 O ATOM 858 CB ASP A 56 10.597 0.778 -14.659 1.00 0.00 C ATOM 859 CG ASP A 56 11.970 0.615 -14.007 1.00 0.00 C ATOM 860 OD1 ASP A 56 12.368 -0.517 -13.786 1.00 0.00 O ATOM 861 OD2 ASP A 56 12.601 1.625 -13.743 1.00 0.00 O ATOM 0 H ASP A 56 11.737 -0.384 -16.548 1.00 0.00 H new ATOM 0 HA ASP A 56 10.151 -1.310 -14.364 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.656 1.491 -15.482 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.886 1.181 -13.938 1.00 0.00 H new ATOM 867 N LEU A 57 8.426 0.370 -16.658 1.00 0.00 N ATOM 868 CA LEU A 57 7.033 0.489 -17.173 1.00 0.00 C ATOM 869 C LEU A 57 6.674 -0.787 -17.922 1.00 0.00 C ATOM 870 O LEU A 57 5.581 -1.304 -17.800 1.00 0.00 O ATOM 871 CB LEU A 57 6.905 1.684 -18.120 1.00 0.00 C ATOM 872 CG LEU A 57 5.529 1.651 -18.800 1.00 0.00 C ATOM 873 CD1 LEU A 57 4.432 2.052 -17.810 1.00 0.00 C ATOM 874 CD2 LEU A 57 5.528 2.623 -19.977 1.00 0.00 C ATOM 0 H LEU A 57 9.120 0.956 -17.122 1.00 0.00 H new ATOM 0 HA LEU A 57 6.356 0.640 -16.332 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.027 2.615 -17.567 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.695 1.653 -18.871 1.00 0.00 H new ATOM 0 HG LEU A 57 5.332 0.638 -19.151 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.463 2.023 -18.309 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.428 1.357 -16.970 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.622 3.061 -17.445 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.553 2.604 -20.464 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.734 3.631 -19.617 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.296 2.329 -20.692 1.00 0.00 H new ATOM 886 N GLU A 58 7.588 -1.308 -18.688 1.00 0.00 N ATOM 887 CA GLU A 58 7.290 -2.558 -19.427 1.00 0.00 C ATOM 888 C GLU A 58 6.862 -3.599 -18.401 1.00 0.00 C ATOM 889 O GLU A 58 5.990 -4.412 -18.643 1.00 0.00 O ATOM 890 CB GLU A 58 8.546 -3.025 -20.166 1.00 0.00 C ATOM 891 CG GLU A 58 8.901 -2.014 -21.258 1.00 0.00 C ATOM 892 CD GLU A 58 7.767 -1.954 -22.286 1.00 0.00 C ATOM 893 OE1 GLU A 58 6.966 -2.873 -22.311 1.00 0.00 O ATOM 894 OE2 GLU A 58 7.721 -0.988 -23.031 1.00 0.00 O ATOM 0 H GLU A 58 8.522 -0.924 -18.833 1.00 0.00 H new ATOM 0 HA GLU A 58 6.500 -2.403 -20.162 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.376 -3.127 -19.466 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.378 -4.008 -20.606 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.061 -1.029 -20.819 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.833 -2.301 -21.745 1.00 0.00 H new ATOM 902 N THR A 59 7.445 -3.548 -17.235 1.00 0.00 N ATOM 903 CA THR A 59 7.052 -4.497 -16.166 1.00 0.00 C ATOM 904 C THR A 59 5.596 -4.215 -15.804 1.00 0.00 C ATOM 905 O THR A 59 4.796 -5.115 -15.634 1.00 0.00 O ATOM 906 CB THR A 59 7.938 -4.276 -14.941 1.00 0.00 C ATOM 907 OG1 THR A 59 9.035 -5.174 -14.983 1.00 0.00 O ATOM 908 CG2 THR A 59 7.122 -4.509 -13.670 1.00 0.00 C ATOM 0 H THR A 59 8.178 -2.887 -16.980 1.00 0.00 H new ATOM 0 HA THR A 59 7.168 -5.527 -16.504 1.00 0.00 H new ATOM 0 HB THR A 59 8.313 -3.252 -14.941 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.715 -6.089 -14.838 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.755 -4.351 -12.797 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.285 -3.811 -13.642 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.743 -5.531 -13.663 1.00 0.00 H new ATOM 916 N ALA A 60 5.242 -2.961 -15.710 1.00 0.00 N ATOM 917 CA ALA A 60 3.835 -2.612 -15.392 1.00 0.00 C ATOM 918 C ALA A 60 2.965 -3.103 -16.542 1.00 0.00 C ATOM 919 O ALA A 60 1.957 -3.750 -16.345 1.00 0.00 O ATOM 920 CB ALA A 60 3.703 -1.093 -15.263 1.00 0.00 C ATOM 0 H ALA A 60 5.869 -2.167 -15.840 1.00 0.00 H new ATOM 0 HA ALA A 60 3.527 -3.073 -14.454 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.670 -0.836 -15.029 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.355 -0.738 -14.465 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.990 -0.622 -16.203 1.00 0.00 H new ATOM 926 N LEU A 61 3.377 -2.823 -17.745 1.00 0.00 N ATOM 927 CA LEU A 61 2.609 -3.292 -18.925 1.00 0.00 C ATOM 928 C LEU A 61 2.624 -4.820 -18.923 1.00 0.00 C ATOM 929 O LEU A 61 1.666 -5.466 -19.298 1.00 0.00 O ATOM 930 CB LEU A 61 3.270 -2.748 -20.197 1.00 0.00 C ATOM 931 CG LEU A 61 3.098 -1.224 -20.234 1.00 0.00 C ATOM 932 CD1 LEU A 61 4.064 -0.609 -21.246 1.00 0.00 C ATOM 933 CD2 LEU A 61 1.669 -0.880 -20.650 1.00 0.00 C ATOM 0 H LEU A 61 4.217 -2.287 -17.961 1.00 0.00 H new ATOM 0 HA LEU A 61 1.579 -2.938 -18.889 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.328 -3.008 -20.213 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.818 -3.200 -21.080 1.00 0.00 H new ATOM 0 HG LEU A 61 3.307 -0.825 -19.241 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.933 0.473 -21.263 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.089 -0.846 -20.961 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.860 -1.015 -22.237 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.548 0.203 -20.676 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.469 -1.291 -21.640 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.968 -1.306 -19.932 1.00 0.00 H new ATOM 945 N ARG A 62 3.709 -5.398 -18.480 1.00 0.00 N ATOM 946 CA ARG A 62 3.805 -6.883 -18.425 1.00 0.00 C ATOM 947 C ARG A 62 2.747 -7.427 -17.462 1.00 0.00 C ATOM 948 O ARG A 62 2.003 -8.331 -17.785 1.00 0.00 O ATOM 949 CB ARG A 62 5.197 -7.266 -17.919 1.00 0.00 C ATOM 950 CG ARG A 62 5.317 -8.786 -17.802 1.00 0.00 C ATOM 951 CD ARG A 62 6.646 -9.129 -17.125 1.00 0.00 C ATOM 952 NE ARG A 62 6.764 -10.606 -16.976 1.00 0.00 N ATOM 953 CZ ARG A 62 6.186 -11.205 -15.971 1.00 0.00 C ATOM 954 NH1 ARG A 62 5.505 -10.509 -15.102 1.00 0.00 N ATOM 955 NH2 ARG A 62 6.291 -12.497 -15.834 1.00 0.00 N ATOM 0 H ARG A 62 4.537 -4.901 -18.152 1.00 0.00 H new ATOM 0 HA ARG A 62 3.639 -7.304 -19.417 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.957 -6.885 -18.601 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.379 -6.804 -16.949 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.485 -9.186 -17.223 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.268 -9.245 -18.789 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.477 -8.746 -17.717 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.703 -8.649 -16.148 1.00 0.00 H new ATOM 0 HE ARG A 62 7.295 -11.148 -17.658 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.425 -9.498 -15.209 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.053 -10.976 -14.316 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.825 -13.040 -16.512 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.839 -12.965 -15.048 1.00 0.00 H new ATOM 969 N ALA A 63 2.673 -6.876 -16.280 1.00 0.00 N ATOM 970 CA ALA A 63 1.661 -7.355 -15.295 1.00 0.00 C ATOM 971 C ALA A 63 0.273 -6.895 -15.738 1.00 0.00 C ATOM 972 O ALA A 63 -0.716 -7.568 -15.521 1.00 0.00 O ATOM 973 CB ALA A 63 1.977 -6.776 -13.914 1.00 0.00 C ATOM 0 H ALA A 63 3.269 -6.115 -15.954 1.00 0.00 H new ATOM 0 HA ALA A 63 1.686 -8.443 -15.243 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.237 -7.126 -13.195 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.969 -7.101 -13.602 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.950 -5.687 -13.961 1.00 0.00 H new ATOM 979 N THR A 64 0.194 -5.748 -16.354 1.00 0.00 N ATOM 980 CA THR A 64 -1.127 -5.235 -16.809 1.00 0.00 C ATOM 981 C THR A 64 -1.806 -6.282 -17.687 1.00 0.00 C ATOM 982 O THR A 64 -2.952 -6.632 -17.483 1.00 0.00 O ATOM 983 CB THR A 64 -0.905 -3.947 -17.610 1.00 0.00 C ATOM 984 OG1 THR A 64 -0.135 -3.043 -16.832 1.00 0.00 O ATOM 985 CG2 THR A 64 -2.245 -3.297 -17.956 1.00 0.00 C ATOM 0 H THR A 64 0.989 -5.144 -16.562 1.00 0.00 H new ATOM 0 HA THR A 64 -1.764 -5.028 -15.949 1.00 0.00 H new ATOM 0 HB THR A 64 -0.381 -4.190 -18.534 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.796 -3.349 -16.801 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.070 -2.384 -18.525 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.841 -3.988 -18.553 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.780 -3.056 -17.038 1.00 0.00 H new ATOM 993 N GLN A 65 -1.107 -6.790 -18.660 1.00 0.00 N ATOM 994 CA GLN A 65 -1.709 -7.822 -19.546 1.00 0.00 C ATOM 995 C GLN A 65 -1.741 -9.174 -18.830 1.00 0.00 C ATOM 996 O GLN A 65 -2.630 -9.971 -19.033 1.00 0.00 O ATOM 997 CB GLN A 65 -0.879 -7.934 -20.828 1.00 0.00 C ATOM 998 CG GLN A 65 0.287 -8.902 -20.607 1.00 0.00 C ATOM 999 CD GLN A 65 1.242 -8.821 -21.799 1.00 0.00 C ATOM 1000 OE1 GLN A 65 1.990 -7.873 -21.929 1.00 0.00 O ATOM 1001 NE2 GLN A 65 1.247 -9.782 -22.681 1.00 0.00 N ATOM 0 H GLN A 65 -0.144 -6.535 -18.881 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.730 -7.532 -19.796 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.505 -8.285 -21.648 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.500 -6.953 -21.114 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.814 -8.651 -19.686 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.086 -9.920 -20.494 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.619 -10.578 -22.571 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.879 -9.737 -23.480 1.00 0.00 H new ATOM 1010 N GLU A 66 -0.762 -9.456 -18.017 1.00 0.00 N ATOM 1011 CA GLU A 66 -0.726 -10.774 -17.321 1.00 0.00 C ATOM 1012 C GLU A 66 -1.643 -10.791 -16.091 1.00 0.00 C ATOM 1013 O GLU A 66 -2.474 -11.665 -15.942 1.00 0.00 O ATOM 1014 CB GLU A 66 0.711 -11.068 -16.887 1.00 0.00 C ATOM 1015 CG GLU A 66 1.558 -11.399 -18.118 1.00 0.00 C ATOM 1016 CD GLU A 66 2.982 -11.745 -17.681 1.00 0.00 C ATOM 1017 OE1 GLU A 66 3.742 -12.200 -18.520 1.00 0.00 O ATOM 1018 OE2 GLU A 66 3.287 -11.549 -16.517 1.00 0.00 O ATOM 0 H GLU A 66 0.016 -8.831 -17.804 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.082 -11.537 -18.014 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.128 -10.206 -16.366 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.727 -11.903 -16.186 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.119 -12.237 -18.660 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.572 -10.550 -18.801 1.00 0.00 H new ATOM 1026 N GLU A 67 -1.479 -9.861 -15.191 1.00 0.00 N ATOM 1027 CA GLU A 67 -2.322 -9.864 -13.958 1.00 0.00 C ATOM 1028 C GLU A 67 -3.789 -9.536 -14.264 1.00 0.00 C ATOM 1029 O GLU A 67 -4.681 -10.033 -13.607 1.00 0.00 O ATOM 1030 CB GLU A 67 -1.763 -8.851 -12.958 1.00 0.00 C ATOM 1031 CG GLU A 67 -0.402 -9.337 -12.456 1.00 0.00 C ATOM 1032 CD GLU A 67 0.110 -8.399 -11.364 1.00 0.00 C ATOM 1033 OE1 GLU A 67 1.129 -8.713 -10.773 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -0.527 -7.386 -11.135 1.00 0.00 O ATOM 0 H GLU A 67 -0.801 -9.101 -15.254 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.292 -10.868 -13.534 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.662 -7.874 -13.430 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.451 -8.731 -12.121 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.489 -10.351 -12.066 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.309 -9.372 -13.281 1.00 0.00 H new ATOM 1042 N ALA A 68 -4.059 -8.700 -15.234 1.00 0.00 N ATOM 1043 CA ALA A 68 -5.486 -8.358 -15.529 1.00 0.00 C ATOM 1044 C ALA A 68 -5.893 -8.885 -16.900 1.00 0.00 C ATOM 1045 O ALA A 68 -7.062 -9.074 -17.174 1.00 0.00 O ATOM 1046 CB ALA A 68 -5.665 -6.844 -15.518 1.00 0.00 C ATOM 0 H ALA A 68 -3.366 -8.245 -15.827 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.112 -8.819 -14.764 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.705 -6.599 -15.733 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.396 -6.453 -14.537 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.022 -6.396 -16.276 1.00 0.00 H new ATOM 1052 N GLY A 69 -4.958 -9.119 -17.771 1.00 0.00 N ATOM 1053 CA GLY A 69 -5.332 -9.625 -19.117 1.00 0.00 C ATOM 1054 C GLY A 69 -5.473 -8.454 -20.086 1.00 0.00 C ATOM 1055 O GLY A 69 -5.933 -8.621 -21.198 1.00 0.00 O ATOM 0 H GLY A 69 -3.959 -8.984 -17.613 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.574 -10.319 -19.479 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.270 -10.178 -19.061 1.00 0.00 H new ATOM 1059 N ILE A 70 -5.094 -7.268 -19.684 1.00 0.00 N ATOM 1060 CA ILE A 70 -5.235 -6.117 -20.612 1.00 0.00 C ATOM 1061 C ILE A 70 -3.867 -5.765 -21.198 1.00 0.00 C ATOM 1062 O ILE A 70 -2.927 -5.486 -20.482 1.00 0.00 O ATOM 1063 CB ILE A 70 -5.782 -4.904 -19.863 1.00 0.00 C ATOM 1064 CG1 ILE A 70 -6.959 -5.330 -18.990 1.00 0.00 C ATOM 1065 CG2 ILE A 70 -6.273 -3.874 -20.881 1.00 0.00 C ATOM 1066 CD1 ILE A 70 -7.303 -4.205 -18.012 1.00 0.00 C ATOM 0 H ILE A 70 -4.700 -7.053 -18.768 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.924 -6.389 -21.411 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.997 -4.477 -19.239 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.823 -5.561 -19.613 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.709 -6.239 -18.442 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.666 -3.003 -20.357 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.444 -3.570 -21.519 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.060 -4.314 -21.494 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.144 -4.509 -17.389 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.440 -3.995 -17.380 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.571 -3.308 -18.569 1.00 0.00 H new ATOM 1078 N GLU A 71 -3.750 -5.768 -22.497 1.00 0.00 N ATOM 1079 CA GLU A 71 -2.442 -5.427 -23.117 1.00 0.00 C ATOM 1080 C GLU A 71 -2.346 -3.921 -23.314 1.00 0.00 C ATOM 1081 O GLU A 71 -3.335 -3.216 -23.323 1.00 0.00 O ATOM 1082 CB GLU A 71 -2.312 -6.125 -24.471 1.00 0.00 C ATOM 1083 CG GLU A 71 -3.379 -5.590 -25.426 1.00 0.00 C ATOM 1084 CD GLU A 71 -3.318 -6.358 -26.747 1.00 0.00 C ATOM 1085 OE1 GLU A 71 -2.413 -7.161 -26.902 1.00 0.00 O ATOM 1086 OE2 GLU A 71 -4.179 -6.130 -27.582 1.00 0.00 O ATOM 0 H GLU A 71 -4.500 -5.991 -23.152 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.639 -5.761 -22.460 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.319 -5.954 -24.886 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.425 -7.202 -24.349 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.367 -5.695 -24.978 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.221 -4.526 -25.605 1.00 0.00 H new ATOM 1094 N ALA A 72 -1.159 -3.422 -23.475 1.00 0.00 N ATOM 1095 CA ALA A 72 -0.994 -1.962 -23.677 1.00 0.00 C ATOM 1096 C ALA A 72 -1.657 -1.564 -24.993 1.00 0.00 C ATOM 1097 O ALA A 72 -2.077 -0.439 -25.176 1.00 0.00 O ATOM 1098 CB ALA A 72 0.492 -1.621 -23.727 1.00 0.00 C ATOM 0 H ALA A 72 -0.294 -3.962 -23.476 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.459 -1.419 -22.854 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.614 -0.548 -23.875 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.964 -1.914 -22.789 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.961 -2.157 -24.552 1.00 0.00 H new ATOM 1104 N GLY A 73 -1.748 -2.484 -25.914 1.00 0.00 N ATOM 1105 CA GLY A 73 -2.379 -2.169 -27.226 1.00 0.00 C ATOM 1106 C GLY A 73 -3.782 -1.604 -27.006 1.00 0.00 C ATOM 1107 O GLY A 73 -4.234 -0.745 -27.740 1.00 0.00 O ATOM 0 H GLY A 73 -1.412 -3.442 -25.814 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.768 -1.448 -27.769 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.432 -3.069 -27.839 1.00 0.00 H new ATOM 1111 N GLN A 74 -4.483 -2.071 -26.005 1.00 0.00 N ATOM 1112 CA GLN A 74 -5.856 -1.543 -25.764 1.00 0.00 C ATOM 1113 C GLN A 74 -5.822 -0.480 -24.658 1.00 0.00 C ATOM 1114 O GLN A 74 -6.840 0.049 -24.260 1.00 0.00 O ATOM 1115 CB GLN A 74 -6.808 -2.682 -25.377 1.00 0.00 C ATOM 1116 CG GLN A 74 -6.216 -3.507 -24.237 1.00 0.00 C ATOM 1117 CD GLN A 74 -6.981 -4.825 -24.121 1.00 0.00 C ATOM 1118 OE1 GLN A 74 -6.556 -5.730 -23.434 1.00 0.00 O ATOM 1119 NE2 GLN A 74 -8.102 -4.974 -24.771 1.00 0.00 N ATOM 0 H GLN A 74 -4.167 -2.787 -25.351 1.00 0.00 H new ATOM 0 HA GLN A 74 -6.222 -1.085 -26.683 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -7.772 -2.272 -25.075 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -6.990 -3.322 -26.241 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.160 -3.701 -24.423 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -6.278 -2.953 -23.300 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.461 -4.214 -25.349 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.619 -5.850 -24.701 1.00 0.00 H new ATOM 1128 N LEU A 75 -4.652 -0.159 -24.168 1.00 0.00 N ATOM 1129 CA LEU A 75 -4.545 0.880 -23.097 1.00 0.00 C ATOM 1130 C LEU A 75 -3.731 2.070 -23.591 1.00 0.00 C ATOM 1131 O LEU A 75 -2.809 1.931 -24.369 1.00 0.00 O ATOM 1132 CB LEU A 75 -3.820 0.315 -21.882 1.00 0.00 C ATOM 1133 CG LEU A 75 -4.589 -0.864 -21.310 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -3.658 -1.656 -20.394 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -5.783 -0.346 -20.502 1.00 0.00 C ATOM 0 H LEU A 75 -3.766 -0.570 -24.462 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.558 1.187 -22.835 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.815 0.000 -22.164 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.711 1.089 -21.123 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.950 -1.503 -22.116 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.196 -2.506 -19.975 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.802 -2.014 -20.967 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.310 -1.013 -19.585 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.337 -1.190 -20.090 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.425 0.285 -19.689 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.437 0.235 -21.152 1.00 0.00 H new ATOM 1147 N THR A 76 -4.041 3.234 -23.100 1.00 0.00 N ATOM 1148 CA THR A 76 -3.267 4.441 -23.480 1.00 0.00 C ATOM 1149 C THR A 76 -2.570 4.959 -22.222 1.00 0.00 C ATOM 1150 O THR A 76 -3.214 5.355 -21.270 1.00 0.00 O ATOM 1151 CB THR A 76 -4.214 5.509 -24.033 1.00 0.00 C ATOM 1152 OG1 THR A 76 -4.207 5.456 -25.453 1.00 0.00 O ATOM 1153 CG2 THR A 76 -3.760 6.891 -23.566 1.00 0.00 C ATOM 0 H THR A 76 -4.805 3.401 -22.445 1.00 0.00 H new ATOM 0 HA THR A 76 -2.533 4.202 -24.250 1.00 0.00 H new ATOM 0 HB THR A 76 -5.224 5.323 -23.668 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.814 6.138 -25.809 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.436 7.649 -23.961 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.770 6.928 -22.477 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.749 7.083 -23.926 1.00 0.00 H new ATOM 1161 N ILE A 77 -1.267 4.949 -22.190 1.00 0.00 N ATOM 1162 CA ILE A 77 -0.576 5.437 -20.967 1.00 0.00 C ATOM 1163 C ILE A 77 -0.739 6.944 -20.866 1.00 0.00 C ATOM 1164 O ILE A 77 0.091 7.701 -21.328 1.00 0.00 O ATOM 1165 CB ILE A 77 0.915 5.104 -21.024 1.00 0.00 C ATOM 1166 CG1 ILE A 77 1.104 3.586 -21.077 1.00 0.00 C ATOM 1167 CG2 ILE A 77 1.605 5.663 -19.770 1.00 0.00 C ATOM 1168 CD1 ILE A 77 1.304 3.046 -19.660 1.00 0.00 C ATOM 0 H ILE A 77 -0.660 4.630 -22.945 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.018 4.949 -20.098 1.00 0.00 H new ATOM 0 HB ILE A 77 1.354 5.551 -21.916 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.234 3.117 -21.537 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.965 3.338 -21.697 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.669 5.428 -19.805 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.473 6.744 -19.733 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.163 5.213 -18.881 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.439 1.965 -19.698 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.187 3.506 -19.217 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.429 3.282 -19.054 1.00 0.00 H new ATOM 1180 N ILE A 78 -1.784 7.393 -20.239 1.00 0.00 N ATOM 1181 CA ILE A 78 -1.963 8.856 -20.091 1.00 0.00 C ATOM 1182 C ILE A 78 -0.658 9.408 -19.573 1.00 0.00 C ATOM 1183 O ILE A 78 -0.220 10.484 -19.931 1.00 0.00 O ATOM 1184 CB ILE A 78 -3.045 9.151 -19.060 1.00 0.00 C ATOM 1185 CG1 ILE A 78 -4.425 8.944 -19.683 1.00 0.00 C ATOM 1186 CG2 ILE A 78 -2.885 10.595 -18.575 1.00 0.00 C ATOM 1187 CD1 ILE A 78 -4.771 7.455 -19.644 1.00 0.00 C ATOM 0 H ILE A 78 -2.516 6.815 -19.826 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.249 9.300 -21.045 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.947 8.473 -18.212 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.174 9.519 -19.138 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.432 9.305 -20.711 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.655 10.818 -17.836 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.901 10.720 -18.123 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.985 11.276 -19.420 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.755 7.298 -20.087 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.026 6.893 -20.207 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.780 7.110 -18.610 1.00 0.00 H new ATOM 1199 N GLU A 79 -0.042 8.660 -18.716 1.00 0.00 N ATOM 1200 CA GLU A 79 1.238 9.100 -18.136 1.00 0.00 C ATOM 1201 C GLU A 79 0.980 10.317 -17.251 1.00 0.00 C ATOM 1202 O GLU A 79 0.123 10.287 -16.392 1.00 0.00 O ATOM 1203 CB GLU A 79 2.201 9.444 -19.269 1.00 0.00 C ATOM 1204 CG GLU A 79 3.561 8.851 -18.943 1.00 0.00 C ATOM 1205 CD GLU A 79 4.553 9.176 -20.061 1.00 0.00 C ATOM 1206 OE1 GLU A 79 5.711 8.819 -19.921 1.00 0.00 O ATOM 1207 OE2 GLU A 79 4.137 9.776 -21.039 1.00 0.00 O ATOM 0 H GLU A 79 -0.376 7.753 -18.390 1.00 0.00 H new ATOM 0 HA GLU A 79 1.682 8.311 -17.529 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.831 9.046 -20.214 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.277 10.525 -19.386 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.924 9.250 -17.996 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.477 7.771 -18.822 1.00 0.00 H new ATOM 1215 N GLY A 80 1.699 11.383 -17.443 1.00 0.00 N ATOM 1216 CA GLY A 80 1.469 12.579 -16.592 1.00 0.00 C ATOM 1217 C GLY A 80 1.792 12.220 -15.145 1.00 0.00 C ATOM 1218 O GLY A 80 2.623 12.843 -14.512 1.00 0.00 O ATOM 0 H GLY A 80 2.431 11.479 -18.147 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.096 13.406 -16.925 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.434 12.910 -16.677 1.00 0.00 H new ATOM 1222 N PHE A 81 1.150 11.212 -14.612 1.00 0.00 N ATOM 1223 CA PHE A 81 1.441 10.817 -13.208 1.00 0.00 C ATOM 1224 C PHE A 81 2.292 9.546 -13.205 1.00 0.00 C ATOM 1225 O PHE A 81 1.871 8.502 -13.666 1.00 0.00 O ATOM 1226 CB PHE A 81 0.129 10.551 -12.470 1.00 0.00 C ATOM 1227 CG PHE A 81 0.414 10.314 -11.005 1.00 0.00 C ATOM 1228 CD1 PHE A 81 0.752 9.033 -10.554 1.00 0.00 C ATOM 1229 CD2 PHE A 81 0.345 11.379 -10.098 1.00 0.00 C ATOM 1230 CE1 PHE A 81 1.019 8.813 -9.198 1.00 0.00 C ATOM 1231 CE2 PHE A 81 0.611 11.161 -8.740 1.00 0.00 C ATOM 1232 CZ PHE A 81 0.949 9.879 -8.290 1.00 0.00 C ATOM 0 H PHE A 81 0.443 10.651 -15.087 1.00 0.00 H new ATOM 0 HA PHE A 81 1.982 11.621 -12.709 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.545 11.399 -12.588 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.372 9.683 -12.899 1.00 0.00 H new ATOM 0 HD1 PHE A 81 0.807 8.212 -11.254 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.087 12.368 -10.446 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.279 7.824 -8.851 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.555 11.982 -8.040 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.156 9.711 -7.243 1.00 0.00 H new ATOM 1242 N LYS A 82 3.477 9.624 -12.670 1.00 0.00 N ATOM 1243 CA LYS A 82 4.359 8.425 -12.607 1.00 0.00 C ATOM 1244 C LYS A 82 5.277 8.573 -11.413 1.00 0.00 C ATOM 1245 O LYS A 82 6.173 9.389 -11.409 1.00 0.00 O ATOM 1246 CB LYS A 82 5.211 8.316 -13.875 1.00 0.00 C ATOM 1247 CG LYS A 82 6.223 7.165 -13.742 1.00 0.00 C ATOM 1248 CD LYS A 82 7.391 7.569 -12.830 1.00 0.00 C ATOM 1249 CE LYS A 82 8.634 6.754 -13.198 1.00 0.00 C ATOM 1250 NZ LYS A 82 9.845 7.424 -12.644 1.00 0.00 N ATOM 0 H LYS A 82 3.876 10.473 -12.270 1.00 0.00 H new ATOM 0 HA LYS A 82 3.744 7.529 -12.519 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.569 8.146 -14.739 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.738 9.254 -14.049 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.727 6.283 -13.336 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.602 6.892 -14.727 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.597 8.634 -12.936 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.127 7.398 -11.786 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.550 5.742 -12.801 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.717 6.665 -14.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.691 6.873 -12.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.926 8.381 -13.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.764 7.487 -11.609 1.00 0.00 H new ATOM 1264 N ARG A 83 5.080 7.784 -10.407 1.00 0.00 N ATOM 1265 CA ARG A 83 5.963 7.878 -9.222 1.00 0.00 C ATOM 1266 C ARG A 83 6.192 6.482 -8.663 1.00 0.00 C ATOM 1267 O ARG A 83 5.522 5.537 -9.030 1.00 0.00 O ATOM 1268 CB ARG A 83 5.320 8.769 -8.158 1.00 0.00 C ATOM 1269 CG ARG A 83 5.197 10.200 -8.693 1.00 0.00 C ATOM 1270 CD ARG A 83 6.588 10.758 -9.011 1.00 0.00 C ATOM 1271 NE ARG A 83 6.718 12.125 -8.426 1.00 0.00 N ATOM 1272 CZ ARG A 83 7.539 12.347 -7.433 1.00 0.00 C ATOM 1273 NH1 ARG A 83 8.241 11.372 -6.922 1.00 0.00 N ATOM 1274 NH2 ARG A 83 7.654 13.553 -6.947 1.00 0.00 N ATOM 0 H ARG A 83 4.347 7.077 -10.352 1.00 0.00 H new ATOM 0 HA ARG A 83 6.918 8.317 -9.512 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.336 8.383 -7.892 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.922 8.760 -7.249 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.577 10.210 -9.590 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.702 10.832 -7.956 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.357 10.101 -8.604 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.739 10.796 -10.090 1.00 0.00 H new ATOM 0 HE ARG A 83 6.162 12.892 -8.804 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.151 10.428 -7.297 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.879 11.554 -6.147 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.105 14.316 -7.342 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.293 13.732 -6.172 1.00 0.00 H new ATOM 1288 N GLU A 84 7.137 6.334 -7.785 1.00 0.00 N ATOM 1289 CA GLU A 84 7.403 4.992 -7.222 1.00 0.00 C ATOM 1290 C GLU A 84 6.500 4.754 -6.014 1.00 0.00 C ATOM 1291 O GLU A 84 6.750 5.233 -4.928 1.00 0.00 O ATOM 1292 CB GLU A 84 8.870 4.897 -6.804 1.00 0.00 C ATOM 1293 CG GLU A 84 9.754 5.063 -8.044 1.00 0.00 C ATOM 1294 CD GLU A 84 10.028 6.547 -8.287 1.00 0.00 C ATOM 1295 OE1 GLU A 84 10.730 6.850 -9.238 1.00 0.00 O ATOM 1296 OE2 GLU A 84 9.530 7.358 -7.524 1.00 0.00 O ATOM 0 H GLU A 84 7.734 7.083 -7.435 1.00 0.00 H new ATOM 0 HA GLU A 84 7.195 4.233 -7.976 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.103 5.668 -6.070 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.065 3.935 -6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.694 4.528 -7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.263 4.627 -8.914 1.00 0.00 H new ATOM 1304 N LEU A 85 5.460 3.990 -6.202 1.00 0.00 N ATOM 1305 CA LEU A 85 4.539 3.683 -5.076 1.00 0.00 C ATOM 1306 C LEU A 85 5.265 2.709 -4.154 1.00 0.00 C ATOM 1307 O LEU A 85 5.820 1.729 -4.606 1.00 0.00 O ATOM 1308 CB LEU A 85 3.274 3.014 -5.628 1.00 0.00 C ATOM 1309 CG LEU A 85 2.071 3.353 -4.742 1.00 0.00 C ATOM 1310 CD1 LEU A 85 1.185 4.404 -5.415 1.00 0.00 C ATOM 1311 CD2 LEU A 85 1.240 2.098 -4.491 1.00 0.00 C ATOM 0 H LEU A 85 5.208 3.563 -7.094 1.00 0.00 H new ATOM 0 HA LEU A 85 4.256 4.589 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.091 3.351 -6.648 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.413 1.934 -5.669 1.00 0.00 H new ATOM 0 HG LEU A 85 2.445 3.748 -3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.336 4.631 -4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.764 5.312 -5.587 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.823 4.019 -6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.387 2.347 -3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.885 1.701 -5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.854 1.349 -3.991 1.00 0.00 H new ATOM 1323 N ASN A 86 5.305 2.968 -2.879 1.00 0.00 N ATOM 1324 CA ASN A 86 6.040 2.038 -1.978 1.00 0.00 C ATOM 1325 C ASN A 86 5.181 1.643 -0.781 1.00 0.00 C ATOM 1326 O ASN A 86 4.668 2.474 -0.058 1.00 0.00 O ATOM 1327 CB ASN A 86 7.323 2.716 -1.505 1.00 0.00 C ATOM 1328 CG ASN A 86 8.216 2.966 -2.720 1.00 0.00 C ATOM 1329 OD1 ASN A 86 7.851 2.484 -3.878 1.00 0.00 O flip ATOM 1330 ND2 ASN A 86 9.251 3.592 -2.617 1.00 0.00 N flip ATOM 0 H ASN A 86 4.868 3.771 -2.426 1.00 0.00 H new ATOM 0 HA ASN A 86 6.283 1.129 -2.528 1.00 0.00 H new ATOM 0 HB2 ASN A 86 7.092 3.656 -1.005 1.00 0.00 H new ATOM 0 HB3 ASN A 86 7.838 2.087 -0.779 1.00 0.00 H new ATOM 0 HD21 ASN A 86 9.532 3.967 -1.711 1.00 0.00 H new ATOM 0 HD22 ASN A 86 9.839 3.743 -3.436 1.00 0.00 H new ATOM 1480 N THR A 95 9.729 -1.434 -3.894 1.00 0.00 N ATOM 1481 CA THR A 95 9.158 -0.210 -4.522 1.00 0.00 C ATOM 1482 C THR A 95 8.184 -0.596 -5.631 1.00 0.00 C ATOM 1483 O THR A 95 8.315 -1.622 -6.266 1.00 0.00 O ATOM 1484 CB THR A 95 10.288 0.644 -5.110 1.00 0.00 C ATOM 1485 OG1 THR A 95 10.693 1.615 -4.153 1.00 0.00 O ATOM 1486 CG2 THR A 95 9.804 1.344 -6.385 1.00 0.00 C ATOM 0 HA THR A 95 8.626 0.362 -3.762 1.00 0.00 H new ATOM 0 HB THR A 95 11.134 0.002 -5.357 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.416 2.161 -4.527 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.612 1.949 -6.797 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.500 0.596 -7.118 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.955 1.985 -6.148 1.00 0.00 H new ATOM 1494 N VAL A 96 7.204 0.227 -5.858 1.00 0.00 N ATOM 1495 CA VAL A 96 6.199 -0.062 -6.915 1.00 0.00 C ATOM 1496 C VAL A 96 5.941 1.212 -7.723 1.00 0.00 C ATOM 1497 O VAL A 96 5.797 2.276 -7.166 1.00 0.00 O ATOM 1498 CB VAL A 96 4.911 -0.524 -6.236 1.00 0.00 C ATOM 1499 CG1 VAL A 96 3.772 -0.607 -7.253 1.00 0.00 C ATOM 1500 CG2 VAL A 96 5.143 -1.905 -5.615 1.00 0.00 C ATOM 0 H VAL A 96 7.054 1.099 -5.350 1.00 0.00 H new ATOM 0 HA VAL A 96 6.559 -0.839 -7.589 1.00 0.00 H new ATOM 0 HB VAL A 96 4.637 0.194 -5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.861 -0.938 -6.753 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.607 0.375 -7.695 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.035 -1.318 -8.036 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.228 -2.243 -5.128 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.421 -2.613 -6.396 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.945 -1.843 -4.879 1.00 0.00 H new ATOM 1510 N ILE A 97 5.875 1.123 -9.026 1.00 0.00 N ATOM 1511 CA ILE A 97 5.620 2.351 -9.839 1.00 0.00 C ATOM 1512 C ILE A 97 4.226 2.256 -10.450 1.00 0.00 C ATOM 1513 O ILE A 97 3.824 1.224 -10.948 1.00 0.00 O ATOM 1514 CB ILE A 97 6.674 2.473 -10.938 1.00 0.00 C ATOM 1515 CG1 ILE A 97 8.027 2.038 -10.376 1.00 0.00 C ATOM 1516 CG2 ILE A 97 6.768 3.933 -11.398 1.00 0.00 C ATOM 1517 CD1 ILE A 97 9.140 2.537 -11.292 1.00 0.00 C ATOM 0 H ILE A 97 5.986 0.261 -9.560 1.00 0.00 H new ATOM 0 HA ILE A 97 5.679 3.236 -9.205 1.00 0.00 H new ATOM 0 HB ILE A 97 6.398 1.842 -11.783 1.00 0.00 H new ATOM 0 HG12 ILE A 97 8.161 2.438 -9.371 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.067 0.952 -10.295 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.520 4.020 -12.182 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.801 4.255 -11.785 1.00 0.00 H new ATOM 0 HG23 ILE A 97 7.049 4.563 -10.554 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.106 2.228 -10.893 1.00 0.00 H new ATOM 0 HD12 ILE A 97 9.007 2.116 -12.288 1.00 0.00 H new ATOM 0 HD13 ILE A 97 9.103 3.625 -11.350 1.00 0.00 H new ATOM 1529 N TYR A 98 3.474 3.322 -10.384 1.00 0.00 N ATOM 1530 CA TYR A 98 2.078 3.302 -10.915 1.00 0.00 C ATOM 1531 C TYR A 98 1.896 4.338 -12.041 1.00 0.00 C ATOM 1532 O TYR A 98 2.175 5.509 -11.876 1.00 0.00 O ATOM 1533 CB TYR A 98 1.137 3.656 -9.747 1.00 0.00 C ATOM 1534 CG TYR A 98 0.797 2.446 -8.890 1.00 0.00 C ATOM 1535 CD1 TYR A 98 1.355 1.178 -9.133 1.00 0.00 C ATOM 1536 CD2 TYR A 98 -0.095 2.612 -7.822 1.00 0.00 C ATOM 1537 CE1 TYR A 98 1.017 0.093 -8.311 1.00 0.00 C ATOM 1538 CE2 TYR A 98 -0.427 1.533 -7.006 1.00 0.00 C ATOM 1539 CZ TYR A 98 0.124 0.272 -7.249 1.00 0.00 C ATOM 1540 OH TYR A 98 -0.209 -0.795 -6.438 1.00 0.00 O ATOM 0 H TYR A 98 3.768 4.212 -9.982 1.00 0.00 H new ATOM 0 HA TYR A 98 1.857 2.317 -11.327 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.605 4.419 -9.125 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.218 4.088 -10.143 1.00 0.00 H new ATOM 0 HD1 TYR A 98 2.044 1.040 -9.953 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.528 3.583 -7.630 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.446 -0.880 -8.498 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -1.112 1.671 -6.183 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.043 -0.597 -5.964 1.00 0.00 H new ATOM 1550 N TRP A 99 1.401 3.905 -13.179 1.00 0.00 N ATOM 1551 CA TRP A 99 1.159 4.842 -14.322 1.00 0.00 C ATOM 1552 C TRP A 99 -0.343 4.939 -14.590 1.00 0.00 C ATOM 1553 O TRP A 99 -1.104 4.066 -14.227 1.00 0.00 O ATOM 1554 CB TRP A 99 1.834 4.323 -15.590 1.00 0.00 C ATOM 1555 CG TRP A 99 3.265 4.728 -15.610 1.00 0.00 C ATOM 1556 CD1 TRP A 99 3.722 5.933 -16.013 1.00 0.00 C ATOM 1557 CD2 TRP A 99 4.431 3.948 -15.229 1.00 0.00 C ATOM 1558 NE1 TRP A 99 5.098 5.948 -15.898 1.00 0.00 N ATOM 1559 CE2 TRP A 99 5.583 4.746 -15.418 1.00 0.00 C ATOM 1560 CE3 TRP A 99 4.599 2.643 -14.741 1.00 0.00 C ATOM 1561 CZ2 TRP A 99 6.859 4.262 -15.133 1.00 0.00 C ATOM 1562 CZ3 TRP A 99 5.880 2.151 -14.455 1.00 0.00 C ATOM 1563 CH2 TRP A 99 7.009 2.959 -14.650 1.00 0.00 C ATOM 0 H TRP A 99 1.153 2.933 -13.365 1.00 0.00 H new ATOM 0 HA TRP A 99 1.569 5.817 -14.060 1.00 0.00 H new ATOM 0 HB2 TRP A 99 1.755 3.237 -15.635 1.00 0.00 H new ATOM 0 HB3 TRP A 99 1.324 4.716 -16.470 1.00 0.00 H new ATOM 0 HD1 TRP A 99 3.112 6.751 -16.367 1.00 0.00 H new ATOM 0 HE1 TRP A 99 5.684 6.748 -16.138 1.00 0.00 H new ATOM 0 HE3 TRP A 99 3.735 2.014 -14.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 7.725 4.889 -15.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 5.998 1.144 -14.082 1.00 0.00 H new ATOM 0 HH2 TRP A 99 7.994 2.575 -14.427 1.00 0.00 H new ATOM 1574 N LEU A 100 -0.775 5.980 -15.244 1.00 0.00 N ATOM 1575 CA LEU A 100 -2.224 6.108 -15.557 1.00 0.00 C ATOM 1576 C LEU A 100 -2.505 5.437 -16.902 1.00 0.00 C ATOM 1577 O LEU A 100 -1.749 5.572 -17.845 1.00 0.00 O ATOM 1578 CB LEU A 100 -2.611 7.588 -15.627 1.00 0.00 C ATOM 1579 CG LEU A 100 -2.610 8.194 -14.225 1.00 0.00 C ATOM 1580 CD1 LEU A 100 -2.893 9.695 -14.321 1.00 0.00 C ATOM 1581 CD2 LEU A 100 -3.711 7.534 -13.391 1.00 0.00 C ATOM 0 H LEU A 100 -0.188 6.746 -15.575 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.811 5.625 -14.776 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.910 8.126 -16.265 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -3.598 7.694 -16.077 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.639 8.030 -13.757 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.893 10.130 -13.322 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.122 10.173 -14.925 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.867 9.853 -14.785 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.715 7.963 -12.389 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.678 7.707 -13.863 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.525 6.462 -13.326 1.00 0.00 H new ATOM 1593 N ALA A 101 -3.583 4.707 -16.997 1.00 0.00 N ATOM 1594 CA ALA A 101 -3.910 4.019 -18.277 1.00 0.00 C ATOM 1595 C ALA A 101 -5.426 4.007 -18.473 1.00 0.00 C ATOM 1596 O ALA A 101 -6.183 3.941 -17.525 1.00 0.00 O ATOM 1597 CB ALA A 101 -3.391 2.577 -18.227 1.00 0.00 C ATOM 0 H ALA A 101 -4.252 4.558 -16.242 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.439 4.547 -19.106 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.629 2.072 -19.163 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.311 2.584 -18.083 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.864 2.049 -17.399 1.00 0.00 H new ATOM 1603 N GLU A 102 -5.870 4.071 -19.695 1.00 0.00 N ATOM 1604 CA GLU A 102 -7.334 4.063 -19.962 1.00 0.00 C ATOM 1605 C GLU A 102 -7.665 2.967 -20.972 1.00 0.00 C ATOM 1606 O GLU A 102 -6.954 2.767 -21.936 1.00 0.00 O ATOM 1607 CB GLU A 102 -7.752 5.415 -20.546 1.00 0.00 C ATOM 1608 CG GLU A 102 -9.260 5.417 -20.805 1.00 0.00 C ATOM 1609 CD GLU A 102 -9.644 6.687 -21.563 1.00 0.00 C ATOM 1610 OE1 GLU A 102 -10.762 6.747 -22.048 1.00 0.00 O ATOM 1611 OE2 GLU A 102 -8.814 7.578 -21.647 1.00 0.00 O ATOM 0 H GLU A 102 -5.279 4.129 -20.525 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.867 3.879 -19.029 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -7.490 6.217 -19.856 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.213 5.604 -21.474 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.542 4.537 -21.382 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.802 5.366 -19.861 1.00 0.00 H new ATOM 1619 N VAL A 103 -8.749 2.267 -20.779 1.00 0.00 N ATOM 1620 CA VAL A 103 -9.117 1.211 -21.758 1.00 0.00 C ATOM 1621 C VAL A 103 -10.075 1.806 -22.781 1.00 0.00 C ATOM 1622 O VAL A 103 -11.223 2.079 -22.489 1.00 0.00 O ATOM 1623 CB VAL A 103 -9.800 0.030 -21.054 1.00 0.00 C ATOM 1624 CG1 VAL A 103 -8.796 -0.700 -20.165 1.00 0.00 C ATOM 1625 CG2 VAL A 103 -10.952 0.531 -20.185 1.00 0.00 C ATOM 0 H VAL A 103 -9.389 2.380 -19.993 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.212 0.848 -22.246 1.00 0.00 H new ATOM 0 HB VAL A 103 -10.183 -0.650 -21.815 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -9.289 -1.536 -19.670 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.974 -1.074 -20.775 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.407 -0.012 -19.414 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -11.429 -0.315 -19.690 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.568 1.221 -19.434 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -11.682 1.045 -20.810 1.00 0.00 H new ATOM 1635 N LYS A 104 -9.621 1.996 -23.986 1.00 0.00 N ATOM 1636 CA LYS A 104 -10.520 2.554 -25.025 1.00 0.00 C ATOM 1637 C LYS A 104 -11.592 1.511 -25.310 1.00 0.00 C ATOM 1638 O LYS A 104 -12.569 1.760 -25.987 1.00 0.00 O ATOM 1639 CB LYS A 104 -9.716 2.860 -26.289 1.00 0.00 C ATOM 1640 CG LYS A 104 -8.986 1.599 -26.752 1.00 0.00 C ATOM 1641 CD LYS A 104 -7.515 1.684 -26.335 1.00 0.00 C ATOM 1642 CE LYS A 104 -6.768 2.692 -27.211 1.00 0.00 C ATOM 1643 NZ LYS A 104 -7.669 3.195 -28.288 1.00 0.00 N ATOM 0 H LYS A 104 -8.671 1.790 -24.294 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.981 3.482 -24.687 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.380 3.218 -27.076 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.998 3.656 -26.091 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.450 0.715 -26.314 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.064 1.497 -27.834 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -7.444 1.980 -25.288 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.049 0.702 -26.421 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -6.415 3.524 -26.602 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.888 2.223 -27.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -7.141 3.840 -28.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -8.026 2.393 -28.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.470 3.704 -27.861 1.00 0.00 H new ATOM 1657 N ASP A 105 -11.411 0.339 -24.765 1.00 0.00 N ATOM 1658 CA ASP A 105 -12.405 -0.744 -24.955 1.00 0.00 C ATOM 1659 C ASP A 105 -13.290 -0.812 -23.717 1.00 0.00 C ATOM 1660 O ASP A 105 -12.927 -1.392 -22.712 1.00 0.00 O ATOM 1661 CB ASP A 105 -11.678 -2.079 -25.128 1.00 0.00 C ATOM 1662 CG ASP A 105 -11.102 -2.173 -26.542 1.00 0.00 C ATOM 1663 OD1 ASP A 105 -10.367 -3.114 -26.799 1.00 0.00 O ATOM 1664 OD2 ASP A 105 -11.403 -1.303 -27.343 1.00 0.00 O ATOM 0 H ASP A 105 -10.606 0.087 -24.191 1.00 0.00 H new ATOM 0 HA ASP A 105 -13.009 -0.544 -25.840 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -10.878 -2.167 -24.393 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.367 -2.905 -24.950 1.00 0.00 H new ATOM 1670 N TYR A 106 -14.448 -0.224 -23.774 1.00 0.00 N ATOM 1671 CA TYR A 106 -15.349 -0.257 -22.594 1.00 0.00 C ATOM 1672 C TYR A 106 -15.584 -1.713 -22.206 1.00 0.00 C ATOM 1673 O TYR A 106 -15.791 -2.040 -21.054 1.00 0.00 O ATOM 1674 CB TYR A 106 -16.685 0.401 -22.954 1.00 0.00 C ATOM 1675 CG TYR A 106 -17.516 0.582 -21.705 1.00 0.00 C ATOM 1676 CD1 TYR A 106 -18.322 -0.464 -21.240 1.00 0.00 C ATOM 1677 CD2 TYR A 106 -17.477 1.799 -21.012 1.00 0.00 C ATOM 1678 CE1 TYR A 106 -19.089 -0.293 -20.081 1.00 0.00 C ATOM 1679 CE2 TYR A 106 -18.243 1.969 -19.853 1.00 0.00 C ATOM 1680 CZ TYR A 106 -19.049 0.923 -19.389 1.00 0.00 C ATOM 1681 OH TYR A 106 -19.803 1.091 -18.246 1.00 0.00 O ATOM 0 H TYR A 106 -14.809 0.277 -24.585 1.00 0.00 H new ATOM 0 HA TYR A 106 -14.899 0.283 -21.761 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -16.510 1.366 -23.429 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -17.223 -0.216 -23.674 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -18.352 -1.402 -21.775 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -16.856 2.606 -21.372 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -19.711 -1.099 -19.721 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -18.212 2.906 -19.317 1.00 0.00 H new ATOM 0 HH TYR A 106 -19.659 1.992 -17.889 1.00 0.00 H new ATOM 1691 N ASP A 107 -15.555 -2.588 -23.169 1.00 0.00 N ATOM 1692 CA ASP A 107 -15.779 -4.031 -22.888 1.00 0.00 C ATOM 1693 C ASP A 107 -14.439 -4.774 -22.866 1.00 0.00 C ATOM 1694 O ASP A 107 -14.388 -5.969 -23.084 1.00 0.00 O ATOM 1695 CB ASP A 107 -16.675 -4.627 -23.977 1.00 0.00 C ATOM 1696 CG ASP A 107 -15.954 -4.569 -25.324 1.00 0.00 C ATOM 1697 OD1 ASP A 107 -16.608 -4.773 -26.332 1.00 0.00 O ATOM 1698 OD2 ASP A 107 -14.759 -4.321 -25.325 1.00 0.00 O ATOM 0 H ASP A 107 -15.384 -2.363 -24.149 1.00 0.00 H new ATOM 0 HA ASP A 107 -16.261 -4.137 -21.916 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -16.925 -5.659 -23.731 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -17.614 -4.076 -24.032 1.00 0.00 H new ATOM 1704 N VAL A 108 -13.356 -4.087 -22.613 1.00 0.00 N ATOM 1705 CA VAL A 108 -12.037 -4.779 -22.590 1.00 0.00 C ATOM 1706 C VAL A 108 -12.197 -6.119 -21.886 1.00 0.00 C ATOM 1707 O VAL A 108 -13.019 -6.277 -21.007 1.00 0.00 O ATOM 1708 CB VAL A 108 -11.004 -3.921 -21.854 1.00 0.00 C ATOM 1709 CG1 VAL A 108 -11.500 -3.607 -20.445 1.00 0.00 C ATOM 1710 CG2 VAL A 108 -9.670 -4.668 -21.769 1.00 0.00 C ATOM 0 H VAL A 108 -13.329 -3.085 -22.423 1.00 0.00 H new ATOM 0 HA VAL A 108 -11.689 -4.938 -23.611 1.00 0.00 H new ATOM 0 HB VAL A 108 -10.862 -2.991 -22.404 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -10.761 -2.996 -19.927 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -12.443 -3.063 -20.504 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -11.651 -4.537 -19.897 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.940 -4.051 -21.244 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -9.811 -5.604 -21.228 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -9.308 -4.882 -22.775 1.00 0.00 H new ATOM 1720 N GLU A 109 -11.430 -7.090 -22.280 1.00 0.00 N ATOM 1721 CA GLU A 109 -11.552 -8.422 -21.647 1.00 0.00 C ATOM 1722 C GLU A 109 -10.542 -8.537 -20.518 1.00 0.00 C ATOM 1723 O GLU A 109 -9.350 -8.640 -20.732 1.00 0.00 O ATOM 1724 CB GLU A 109 -11.295 -9.512 -22.688 1.00 0.00 C ATOM 1725 CG GLU A 109 -11.592 -10.879 -22.071 1.00 0.00 C ATOM 1726 CD GLU A 109 -13.096 -11.012 -21.827 1.00 0.00 C ATOM 1727 OE1 GLU A 109 -13.471 -11.792 -20.965 1.00 0.00 O ATOM 1728 OE2 GLU A 109 -13.849 -10.331 -22.504 1.00 0.00 O ATOM 0 H GLU A 109 -10.724 -7.017 -23.013 1.00 0.00 H new ATOM 0 HA GLU A 109 -12.558 -8.545 -21.245 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.924 -9.351 -23.563 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.260 -9.470 -23.027 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.249 -11.672 -22.735 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.049 -10.992 -21.133 1.00 0.00 H new ATOM 1736 N ILE A 110 -11.023 -8.522 -19.317 1.00 0.00 N ATOM 1737 CA ILE A 110 -10.120 -8.634 -18.146 1.00 0.00 C ATOM 1738 C ILE A 110 -9.712 -10.092 -17.946 1.00 0.00 C ATOM 1739 O ILE A 110 -10.380 -10.840 -17.258 1.00 0.00 O ATOM 1740 CB ILE A 110 -10.852 -8.156 -16.895 1.00 0.00 C ATOM 1741 CG1 ILE A 110 -11.258 -6.685 -17.048 1.00 0.00 C ATOM 1742 CG2 ILE A 110 -9.939 -8.312 -15.681 1.00 0.00 C ATOM 1743 CD1 ILE A 110 -10.030 -5.831 -17.290 1.00 0.00 C ATOM 0 H ILE A 110 -12.014 -8.436 -19.091 1.00 0.00 H new ATOM 0 HA ILE A 110 -9.234 -8.023 -18.320 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.751 -8.757 -16.757 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -11.956 -6.576 -17.878 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -11.775 -6.347 -16.150 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -10.461 -7.971 -14.787 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -9.666 -9.361 -15.564 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -9.038 -7.716 -15.825 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.328 -4.788 -17.397 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.347 -5.928 -16.446 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.531 -6.162 -18.201 1.00 0.00 H new ATOM 1755 N ARG A 111 -8.623 -10.508 -18.526 1.00 0.00 N ATOM 1756 CA ARG A 111 -8.190 -11.923 -18.337 1.00 0.00 C ATOM 1757 C ARG A 111 -7.147 -11.987 -17.232 1.00 0.00 C ATOM 1758 O ARG A 111 -6.113 -11.355 -17.291 1.00 0.00 O ATOM 1759 CB ARG A 111 -7.607 -12.483 -19.633 1.00 0.00 C ATOM 1760 CG ARG A 111 -8.738 -13.099 -20.451 1.00 0.00 C ATOM 1761 CD ARG A 111 -8.286 -13.304 -21.897 1.00 0.00 C ATOM 1762 NE ARG A 111 -9.430 -13.816 -22.701 1.00 0.00 N ATOM 1763 CZ ARG A 111 -9.216 -14.411 -23.843 1.00 0.00 C ATOM 1764 NH1 ARG A 111 -7.997 -14.547 -24.289 1.00 0.00 N ATOM 1765 NH2 ARG A 111 -10.220 -14.867 -24.540 1.00 0.00 N ATOM 0 H ARG A 111 -8.018 -9.938 -19.117 1.00 0.00 H new ATOM 0 HA ARG A 111 -9.056 -12.524 -18.060 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -7.118 -11.691 -20.201 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -6.848 -13.233 -19.413 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -9.035 -14.053 -20.015 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -9.613 -12.450 -20.423 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -7.925 -12.364 -22.314 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -7.456 -14.009 -21.934 1.00 0.00 H new ATOM 0 HE ARG A 111 -10.384 -13.701 -22.358 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -7.212 -14.188 -23.745 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -7.829 -15.012 -25.181 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -11.173 -14.759 -24.193 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -10.052 -15.332 -25.432 1.00 0.00 H new ATOM 1779 N LEU A 112 -7.416 -12.746 -16.216 1.00 0.00 N ATOM 1780 CA LEU A 112 -6.445 -12.843 -15.099 1.00 0.00 C ATOM 1781 C LEU A 112 -5.608 -14.111 -15.268 1.00 0.00 C ATOM 1782 O LEU A 112 -6.086 -15.211 -15.074 1.00 0.00 O ATOM 1783 CB LEU A 112 -7.201 -12.917 -13.772 1.00 0.00 C ATOM 1784 CG LEU A 112 -8.412 -11.981 -13.808 1.00 0.00 C ATOM 1785 CD1 LEU A 112 -9.162 -12.086 -12.481 1.00 0.00 C ATOM 1786 CD2 LEU A 112 -7.952 -10.534 -14.021 1.00 0.00 C ATOM 0 H LEU A 112 -8.264 -13.303 -16.109 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.796 -11.967 -15.104 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.527 -13.940 -13.586 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.540 -12.639 -12.951 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.067 -12.269 -14.630 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.026 -11.422 -12.498 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.496 -13.113 -12.332 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.499 -11.798 -11.665 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.821 -9.876 -14.045 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.294 -10.237 -13.204 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.413 -10.459 -14.966 1.00 0.00 H new ATOM 1798 N SER A 113 -4.362 -13.967 -15.620 1.00 0.00 N ATOM 1799 CA SER A 113 -3.499 -15.169 -15.789 1.00 0.00 C ATOM 1800 C SER A 113 -3.208 -15.773 -14.413 1.00 0.00 C ATOM 1801 O SER A 113 -3.435 -15.150 -13.395 1.00 0.00 O ATOM 1802 CB SER A 113 -2.185 -14.764 -16.459 1.00 0.00 C ATOM 1803 OG SER A 113 -2.463 -14.221 -17.742 1.00 0.00 O ATOM 0 H SER A 113 -3.905 -13.073 -15.798 1.00 0.00 H new ATOM 0 HA SER A 113 -4.009 -15.904 -16.412 1.00 0.00 H new ATOM 0 HB2 SER A 113 -1.661 -14.030 -15.846 1.00 0.00 H new ATOM 0 HB3 SER A 113 -1.528 -15.629 -16.551 1.00 0.00 H new ATOM 0 HG SER A 113 -2.523 -13.245 -17.678 1.00 0.00 H new ATOM 1809 N HIS A 114 -2.710 -16.980 -14.371 1.00 0.00 N ATOM 1810 CA HIS A 114 -2.413 -17.613 -13.055 1.00 0.00 C ATOM 1811 C HIS A 114 -1.838 -16.562 -12.104 1.00 0.00 C ATOM 1812 O HIS A 114 -0.657 -16.269 -12.119 1.00 0.00 O ATOM 1813 CB HIS A 114 -1.403 -18.748 -13.250 1.00 0.00 C ATOM 1814 CG HIS A 114 -0.317 -18.647 -12.214 1.00 0.00 C ATOM 1815 ND1 HIS A 114 -0.362 -18.544 -10.846 1.00 0.00 N flip ATOM 1816 CD2 HIS A 114 1.029 -18.638 -12.552 1.00 0.00 C flip ATOM 1817 CE1 HIS A 114 0.930 -18.471 -10.344 1.00 0.00 C flip ATOM 1818 NE2 HIS A 114 1.731 -18.532 -11.408 1.00 0.00 N flip ATOM 0 H HIS A 114 -2.497 -17.552 -15.188 1.00 0.00 H new ATOM 0 HA HIS A 114 -3.330 -18.020 -12.629 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -1.906 -19.712 -13.171 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -0.971 -18.695 -14.249 1.00 0.00 H new ATOM 0 HD2 HIS A 114 1.438 -18.704 -13.549 1.00 0.00 H new ATOM 0 HE1 HIS A 114 1.225 -18.383 -9.309 1.00 0.00 H new ATOM 0 HE2 HIS A 114 2.749 -18.502 -11.361 1.00 0.00 H new ATOM 1827 N GLU A 115 -2.668 -15.981 -11.278 1.00 0.00 N ATOM 1828 CA GLU A 115 -2.175 -14.944 -10.328 1.00 0.00 C ATOM 1829 C GLU A 115 -3.364 -14.294 -9.618 1.00 0.00 C ATOM 1830 O GLU A 115 -3.471 -14.325 -8.409 1.00 0.00 O ATOM 1831 CB GLU A 115 -1.401 -13.873 -11.100 1.00 0.00 C ATOM 1832 CG GLU A 115 0.031 -13.802 -10.571 1.00 0.00 C ATOM 1833 CD GLU A 115 0.832 -12.787 -11.390 1.00 0.00 C ATOM 1834 OE1 GLU A 115 0.349 -12.386 -12.435 1.00 0.00 O ATOM 1835 OE2 GLU A 115 1.916 -12.428 -10.957 1.00 0.00 O ATOM 0 H GLU A 115 -3.667 -16.181 -11.221 1.00 0.00 H new ATOM 0 HA GLU A 115 -1.521 -15.410 -9.591 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -1.396 -14.108 -12.164 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -1.890 -12.905 -10.990 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.027 -13.514 -9.520 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.500 -14.784 -10.631 1.00 0.00 H new ATOM 1843 N HIS A 116 -4.252 -13.703 -10.368 1.00 0.00 N ATOM 1844 CA HIS A 116 -5.437 -13.042 -9.751 1.00 0.00 C ATOM 1845 C HIS A 116 -6.714 -13.744 -10.219 1.00 0.00 C ATOM 1846 O HIS A 116 -6.838 -14.125 -11.365 1.00 0.00 O ATOM 1847 CB HIS A 116 -5.481 -11.577 -10.189 1.00 0.00 C ATOM 1848 CG HIS A 116 -4.282 -10.856 -9.647 1.00 0.00 C ATOM 1849 ND1 HIS A 116 -3.032 -10.953 -10.241 1.00 0.00 N ATOM 1850 CD2 HIS A 116 -4.122 -10.019 -8.570 1.00 0.00 C ATOM 1851 CE1 HIS A 116 -2.182 -10.196 -9.523 1.00 0.00 C ATOM 1852 NE2 HIS A 116 -2.797 -9.609 -8.495 1.00 0.00 N ATOM 0 H HIS A 116 -4.208 -13.649 -11.386 1.00 0.00 H new ATOM 0 HA HIS A 116 -5.363 -13.102 -8.665 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -5.496 -11.512 -11.277 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -6.395 -11.106 -9.828 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -4.905 -9.725 -7.887 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -1.133 -10.078 -9.751 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -2.381 -8.989 -7.800 1.00 0.00 H new ATOM 1861 N GLN A 117 -7.667 -13.913 -9.344 1.00 0.00 N ATOM 1862 CA GLN A 117 -8.934 -14.584 -9.748 1.00 0.00 C ATOM 1863 C GLN A 117 -10.111 -13.648 -9.458 1.00 0.00 C ATOM 1864 O GLN A 117 -11.257 -14.052 -9.461 1.00 0.00 O ATOM 1865 CB GLN A 117 -9.100 -15.885 -8.961 1.00 0.00 C ATOM 1866 CG GLN A 117 -10.166 -16.756 -9.630 1.00 0.00 C ATOM 1867 CD GLN A 117 -10.259 -18.098 -8.902 1.00 0.00 C ATOM 1868 OE1 GLN A 117 -9.478 -18.377 -8.015 1.00 0.00 O ATOM 1869 NE2 GLN A 117 -11.187 -18.949 -9.246 1.00 0.00 N ATOM 0 H GLN A 117 -7.623 -13.616 -8.369 1.00 0.00 H new ATOM 0 HA GLN A 117 -8.905 -14.815 -10.813 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -8.152 -16.421 -8.920 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -9.387 -15.666 -7.933 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -11.131 -16.250 -9.607 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.915 -16.916 -10.679 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -11.843 -18.715 -9.991 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -11.256 -19.848 -8.770 1.00 0.00 H new ATOM 1878 N ALA A 118 -9.837 -12.397 -9.202 1.00 0.00 N ATOM 1879 CA ALA A 118 -10.941 -11.439 -8.908 1.00 0.00 C ATOM 1880 C ALA A 118 -10.606 -10.068 -9.499 1.00 0.00 C ATOM 1881 O ALA A 118 -9.514 -9.563 -9.333 1.00 0.00 O ATOM 1882 CB ALA A 118 -11.101 -11.305 -7.393 1.00 0.00 C ATOM 0 H ALA A 118 -8.898 -11.998 -9.184 1.00 0.00 H new ATOM 0 HA ALA A 118 -11.867 -11.808 -9.349 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -11.907 -10.605 -7.173 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.338 -12.279 -6.965 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -10.171 -10.935 -6.960 1.00 0.00 H new ATOM 1888 N TYR A 119 -11.542 -9.457 -10.173 1.00 0.00 N ATOM 1889 CA TYR A 119 -11.280 -8.111 -10.757 1.00 0.00 C ATOM 1890 C TYR A 119 -12.603 -7.348 -10.861 1.00 0.00 C ATOM 1891 O TYR A 119 -13.630 -7.916 -11.176 1.00 0.00 O ATOM 1892 CB TYR A 119 -10.641 -8.276 -12.135 1.00 0.00 C ATOM 1893 CG TYR A 119 -11.681 -8.657 -13.149 1.00 0.00 C ATOM 1894 CD1 TYR A 119 -12.093 -9.986 -13.252 1.00 0.00 C ATOM 1895 CD2 TYR A 119 -12.219 -7.686 -13.998 1.00 0.00 C ATOM 1896 CE1 TYR A 119 -13.050 -10.348 -14.203 1.00 0.00 C ATOM 1897 CE2 TYR A 119 -13.177 -8.044 -14.950 1.00 0.00 C ATOM 1898 CZ TYR A 119 -13.595 -9.378 -15.054 1.00 0.00 C ATOM 1899 OH TYR A 119 -14.542 -9.735 -15.992 1.00 0.00 O ATOM 0 H TYR A 119 -12.475 -9.831 -10.344 1.00 0.00 H new ATOM 0 HA TYR A 119 -10.597 -7.548 -10.122 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -10.157 -7.346 -12.433 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -9.865 -9.041 -12.095 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -11.672 -10.734 -12.597 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -11.894 -6.659 -13.918 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -13.370 -11.376 -14.282 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -13.595 -7.294 -15.605 1.00 0.00 H new ATOM 0 HH TYR A 119 -14.816 -8.942 -16.499 1.00 0.00 H new ATOM 1909 N ARG A 120 -12.600 -6.069 -10.582 1.00 0.00 N ATOM 1910 CA ARG A 120 -13.874 -5.293 -10.651 1.00 0.00 C ATOM 1911 C ARG A 120 -13.607 -3.867 -11.142 1.00 0.00 C ATOM 1912 O ARG A 120 -12.553 -3.307 -10.919 1.00 0.00 O ATOM 1913 CB ARG A 120 -14.483 -5.186 -9.249 1.00 0.00 C ATOM 1914 CG ARG A 120 -14.754 -6.573 -8.662 1.00 0.00 C ATOM 1915 CD ARG A 120 -15.097 -6.428 -7.172 1.00 0.00 C ATOM 1916 NE ARG A 120 -16.498 -6.871 -6.932 1.00 0.00 N ATOM 1917 CZ ARG A 120 -17.003 -6.802 -5.730 1.00 0.00 C ATOM 1918 NH1 ARG A 120 -16.273 -6.357 -4.743 1.00 0.00 N ATOM 1919 NH2 ARG A 120 -18.233 -7.179 -5.514 1.00 0.00 N ATOM 0 H ARG A 120 -11.776 -5.532 -10.311 1.00 0.00 H new ATOM 0 HA ARG A 120 -14.548 -5.808 -11.336 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -13.806 -4.636 -8.595 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -15.412 -4.618 -9.295 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -15.577 -7.052 -9.193 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -13.880 -7.212 -8.786 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -14.410 -7.024 -6.571 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -14.975 -5.391 -6.861 1.00 0.00 H new ATOM 0 HE ARG A 120 -17.061 -7.227 -7.704 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -15.311 -6.064 -4.912 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -16.665 -6.302 -3.803 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -18.802 -7.529 -6.285 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -18.626 -7.124 -4.574 1.00 0.00 H new ATOM 1933 N TRP A 121 -14.581 -3.260 -11.766 1.00 0.00 N ATOM 1934 CA TRP A 121 -14.420 -1.850 -12.221 1.00 0.00 C ATOM 1935 C TRP A 121 -15.222 -0.969 -11.257 1.00 0.00 C ATOM 1936 O TRP A 121 -16.436 -1.005 -11.248 1.00 0.00 O ATOM 1937 CB TRP A 121 -14.977 -1.693 -13.641 1.00 0.00 C ATOM 1938 CG TRP A 121 -14.024 -2.271 -14.641 1.00 0.00 C ATOM 1939 CD1 TRP A 121 -14.110 -3.512 -15.176 1.00 0.00 C ATOM 1940 CD2 TRP A 121 -12.853 -1.650 -15.248 1.00 0.00 C ATOM 1941 NE1 TRP A 121 -13.070 -3.689 -16.073 1.00 0.00 N ATOM 1942 CE2 TRP A 121 -12.267 -2.569 -16.151 1.00 0.00 C ATOM 1943 CE3 TRP A 121 -12.248 -0.390 -15.104 1.00 0.00 C ATOM 1944 CZ2 TRP A 121 -11.124 -2.248 -16.885 1.00 0.00 C ATOM 1945 CZ3 TRP A 121 -11.097 -0.067 -15.839 1.00 0.00 C ATOM 1946 CH2 TRP A 121 -10.537 -0.993 -16.728 1.00 0.00 C ATOM 0 H TRP A 121 -15.484 -3.682 -11.981 1.00 0.00 H new ATOM 0 HA TRP A 121 -13.368 -1.566 -12.230 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -15.942 -2.193 -13.717 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -15.147 -0.638 -13.858 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -14.867 -4.245 -14.941 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -12.916 -4.542 -16.610 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -12.671 0.334 -14.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -10.697 -2.966 -17.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -10.639 0.904 -15.718 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -9.652 -0.735 -17.291 1.00 0.00 H new ATOM 1957 N LEU A 122 -14.565 -0.208 -10.418 1.00 0.00 N ATOM 1958 CA LEU A 122 -15.321 0.626 -9.434 1.00 0.00 C ATOM 1959 C LEU A 122 -14.836 2.079 -9.453 1.00 0.00 C ATOM 1960 O LEU A 122 -13.864 2.418 -10.095 1.00 0.00 O ATOM 1961 CB LEU A 122 -15.128 0.075 -8.021 1.00 0.00 C ATOM 1962 CG LEU A 122 -14.613 -1.368 -8.060 1.00 0.00 C ATOM 1963 CD1 LEU A 122 -13.246 -1.425 -7.392 1.00 0.00 C ATOM 1964 CD2 LEU A 122 -15.574 -2.288 -7.308 1.00 0.00 C ATOM 0 H LEU A 122 -13.549 -0.128 -10.371 1.00 0.00 H new ATOM 0 HA LEU A 122 -16.373 0.592 -9.715 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -14.423 0.702 -7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -16.073 0.113 -7.480 1.00 0.00 H new ATOM 0 HG LEU A 122 -14.540 -1.696 -9.097 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.872 -2.449 -7.415 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -12.553 -0.773 -7.925 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -13.333 -1.094 -6.357 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -15.199 -3.311 -7.341 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -15.651 -1.964 -6.270 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -16.558 -2.247 -7.775 1.00 0.00 H new ATOM 1976 N GLY A 123 -15.517 2.940 -8.736 1.00 0.00 N ATOM 1977 CA GLY A 123 -15.120 4.378 -8.692 1.00 0.00 C ATOM 1978 C GLY A 123 -14.008 4.594 -7.660 1.00 0.00 C ATOM 1979 O GLY A 123 -13.558 3.672 -7.007 1.00 0.00 O ATOM 0 H GLY A 123 -16.336 2.704 -8.176 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -14.778 4.698 -9.676 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -15.984 4.993 -8.439 1.00 0.00 H new ATOM 1983 N LEU A 124 -13.563 5.814 -7.514 1.00 0.00 N ATOM 1984 CA LEU A 124 -12.478 6.121 -6.534 1.00 0.00 C ATOM 1985 C LEU A 124 -12.889 5.695 -5.125 1.00 0.00 C ATOM 1986 O LEU A 124 -12.133 5.073 -4.406 1.00 0.00 O ATOM 1987 CB LEU A 124 -12.220 7.630 -6.544 1.00 0.00 C ATOM 1988 CG LEU A 124 -11.307 8.020 -5.377 1.00 0.00 C ATOM 1989 CD1 LEU A 124 -10.061 7.136 -5.354 1.00 0.00 C ATOM 1990 CD2 LEU A 124 -10.882 9.480 -5.539 1.00 0.00 C ATOM 0 H LEU A 124 -13.908 6.619 -8.037 1.00 0.00 H new ATOM 0 HA LEU A 124 -11.578 5.575 -6.816 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -11.760 7.921 -7.488 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -13.165 8.168 -6.471 1.00 0.00 H new ATOM 0 HG LEU A 124 -11.852 7.887 -4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -9.424 7.427 -4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -10.357 6.093 -5.239 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -9.512 7.256 -6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -10.232 9.764 -4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -10.345 9.600 -6.480 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -11.766 10.118 -5.541 1.00 0.00 H new ATOM 2002 N GLU A 125 -14.073 6.035 -4.715 1.00 0.00 N ATOM 2003 CA GLU A 125 -14.512 5.662 -3.342 1.00 0.00 C ATOM 2004 C GLU A 125 -14.456 4.140 -3.173 1.00 0.00 C ATOM 2005 O GLU A 125 -13.831 3.638 -2.260 1.00 0.00 O ATOM 2006 CB GLU A 125 -15.935 6.173 -3.112 1.00 0.00 C ATOM 2007 CG GLU A 125 -16.936 5.273 -3.839 1.00 0.00 C ATOM 2008 CD GLU A 125 -18.319 5.928 -3.816 1.00 0.00 C ATOM 2009 OE1 GLU A 125 -18.447 6.976 -3.205 1.00 0.00 O ATOM 2010 OE2 GLU A 125 -19.225 5.369 -4.411 1.00 0.00 O ATOM 0 H GLU A 125 -14.757 6.554 -5.267 1.00 0.00 H new ATOM 0 HA GLU A 125 -13.847 6.116 -2.607 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -16.156 6.190 -2.045 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -16.025 7.198 -3.473 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -16.615 5.111 -4.868 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -16.977 4.295 -3.360 1.00 0.00 H new ATOM 2018 N GLU A 126 -15.084 3.397 -4.043 1.00 0.00 N ATOM 2019 CA GLU A 126 -15.036 1.912 -3.916 1.00 0.00 C ATOM 2020 C GLU A 126 -13.603 1.440 -4.130 1.00 0.00 C ATOM 2021 O GLU A 126 -13.153 0.484 -3.534 1.00 0.00 O ATOM 2022 CB GLU A 126 -15.953 1.270 -4.956 1.00 0.00 C ATOM 2023 CG GLU A 126 -15.969 -0.239 -4.754 1.00 0.00 C ATOM 2024 CD GLU A 126 -17.174 -0.836 -5.486 1.00 0.00 C ATOM 2025 OE1 GLU A 126 -17.849 -0.094 -6.181 1.00 0.00 O ATOM 2026 OE2 GLU A 126 -17.405 -2.025 -5.335 1.00 0.00 O ATOM 0 H GLU A 126 -15.625 3.751 -4.832 1.00 0.00 H new ATOM 0 HA GLU A 126 -15.374 1.620 -2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -16.962 1.671 -4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -15.605 1.510 -5.961 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -15.046 -0.678 -5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -16.022 -0.474 -3.691 1.00 0.00 H new ATOM 2034 N ALA A 127 -12.875 2.108 -4.972 1.00 0.00 N ATOM 2035 CA ALA A 127 -11.467 1.704 -5.208 1.00 0.00 C ATOM 2036 C ALA A 127 -10.649 2.037 -3.959 1.00 0.00 C ATOM 2037 O ALA A 127 -9.639 1.423 -3.675 1.00 0.00 O ATOM 2038 CB ALA A 127 -10.912 2.479 -6.402 1.00 0.00 C ATOM 0 H ALA A 127 -13.193 2.916 -5.507 1.00 0.00 H new ATOM 0 HA ALA A 127 -11.412 0.635 -5.416 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -9.877 2.184 -6.578 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -11.508 2.258 -7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -10.954 3.548 -6.193 1.00 0.00 H new ATOM 2044 N CYS A 128 -11.081 3.024 -3.222 1.00 0.00 N ATOM 2045 CA CYS A 128 -10.343 3.433 -1.995 1.00 0.00 C ATOM 2046 C CYS A 128 -10.480 2.367 -0.904 1.00 0.00 C ATOM 2047 O CYS A 128 -9.525 2.037 -0.230 1.00 0.00 O ATOM 2048 CB CYS A 128 -10.920 4.755 -1.483 1.00 0.00 C ATOM 2049 SG CYS A 128 -11.011 4.716 0.324 1.00 0.00 S ATOM 0 H CYS A 128 -11.921 3.568 -3.420 1.00 0.00 H new ATOM 0 HA CYS A 128 -9.287 3.550 -2.240 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -10.295 5.587 -1.808 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -11.912 4.918 -1.904 1.00 0.00 H new ATOM 0 HG CYS A 128 -12.108 4.123 0.691 1.00 0.00 H new ATOM 2055 N GLN A 129 -11.656 1.830 -0.713 1.00 0.00 N ATOM 2056 CA GLN A 129 -11.824 0.795 0.355 1.00 0.00 C ATOM 2057 C GLN A 129 -11.041 -0.462 -0.013 1.00 0.00 C ATOM 2058 O GLN A 129 -10.346 -1.034 0.804 1.00 0.00 O ATOM 2059 CB GLN A 129 -13.302 0.414 0.523 1.00 0.00 C ATOM 2060 CG GLN A 129 -14.111 0.834 -0.703 1.00 0.00 C ATOM 2061 CD GLN A 129 -14.748 2.201 -0.450 1.00 0.00 C ATOM 2062 OE1 GLN A 129 -14.112 3.095 0.072 1.00 0.00 O ATOM 2063 NE2 GLN A 129 -15.989 2.401 -0.801 1.00 0.00 N ATOM 0 H GLN A 129 -12.498 2.058 -1.241 1.00 0.00 H new ATOM 0 HA GLN A 129 -11.451 1.215 1.289 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -13.391 -0.662 0.672 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -13.707 0.894 1.414 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -13.465 0.879 -1.580 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -14.883 0.094 -0.913 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -16.522 1.650 -1.239 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -16.425 3.308 -0.637 1.00 0.00 H new ATOM 2072 N LEU A 130 -11.163 -0.906 -1.229 1.00 0.00 N ATOM 2073 CA LEU A 130 -10.441 -2.139 -1.642 1.00 0.00 C ATOM 2074 C LEU A 130 -8.930 -1.929 -1.521 1.00 0.00 C ATOM 2075 O LEU A 130 -8.225 -2.765 -0.995 1.00 0.00 O ATOM 2076 CB LEU A 130 -10.794 -2.456 -3.091 1.00 0.00 C ATOM 2077 CG LEU A 130 -12.313 -2.545 -3.248 1.00 0.00 C ATOM 2078 CD1 LEU A 130 -12.650 -2.767 -4.714 1.00 0.00 C ATOM 2079 CD2 LEU A 130 -12.860 -3.716 -2.435 1.00 0.00 C ATOM 0 H LEU A 130 -11.731 -0.470 -1.955 1.00 0.00 H new ATOM 0 HA LEU A 130 -10.736 -2.965 -0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -10.396 -1.683 -3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -10.333 -3.397 -3.389 1.00 0.00 H new ATOM 0 HG LEU A 130 -12.761 -1.618 -2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -13.732 -2.831 -4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -12.269 -1.934 -5.305 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -12.191 -3.695 -5.056 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -13.942 -3.768 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -12.410 -4.645 -2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -12.619 -3.572 -1.382 1.00 0.00 H new ATOM 2091 N ALA A 131 -8.422 -0.825 -2.001 1.00 0.00 N ATOM 2092 CA ALA A 131 -6.957 -0.593 -1.904 1.00 0.00 C ATOM 2093 C ALA A 131 -6.545 -0.579 -0.428 1.00 0.00 C ATOM 2094 O ALA A 131 -5.665 -1.301 -0.013 1.00 0.00 O ATOM 2095 CB ALA A 131 -6.603 0.751 -2.542 1.00 0.00 C ATOM 0 H ALA A 131 -8.955 -0.081 -2.452 1.00 0.00 H new ATOM 0 HA ALA A 131 -6.429 -1.390 -2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.528 0.917 -2.469 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -6.898 0.745 -3.591 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -7.130 1.551 -2.022 1.00 0.00 H new ATOM 2101 N GLN A 132 -7.192 0.229 0.365 1.00 0.00 N ATOM 2102 CA GLN A 132 -6.863 0.292 1.821 1.00 0.00 C ATOM 2103 C GLN A 132 -5.425 0.783 2.035 1.00 0.00 C ATOM 2104 O GLN A 132 -4.987 0.959 3.155 1.00 0.00 O ATOM 2105 CB GLN A 132 -7.056 -1.097 2.454 1.00 0.00 C ATOM 2106 CG GLN A 132 -5.750 -1.906 2.427 1.00 0.00 C ATOM 2107 CD GLN A 132 -5.445 -2.423 3.833 1.00 0.00 C ATOM 2108 OE1 GLN A 132 -4.307 -2.428 4.258 1.00 0.00 O ATOM 2109 NE2 GLN A 132 -6.422 -2.859 4.579 1.00 0.00 N ATOM 0 H GLN A 132 -7.941 0.854 0.067 1.00 0.00 H new ATOM 0 HA GLN A 132 -7.535 1.002 2.302 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -7.397 -0.986 3.483 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -7.834 -1.639 1.917 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -5.841 -2.741 1.732 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -4.930 -1.282 2.071 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -7.377 -2.855 4.222 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -6.231 -3.204 5.520 1.00 0.00 H new ATOM 2118 N PHE A 133 -4.682 1.015 0.982 1.00 0.00 N ATOM 2119 CA PHE A 133 -3.282 1.500 1.165 1.00 0.00 C ATOM 2120 C PHE A 133 -3.256 3.017 0.968 1.00 0.00 C ATOM 2121 O PHE A 133 -3.853 3.539 0.048 1.00 0.00 O ATOM 2122 CB PHE A 133 -2.357 0.849 0.134 1.00 0.00 C ATOM 2123 CG PHE A 133 -2.710 -0.610 -0.036 1.00 0.00 C ATOM 2124 CD1 PHE A 133 -2.265 -1.550 0.900 1.00 0.00 C ATOM 2125 CD2 PHE A 133 -3.480 -1.023 -1.134 1.00 0.00 C ATOM 2126 CE1 PHE A 133 -2.588 -2.904 0.740 1.00 0.00 C ATOM 2127 CE2 PHE A 133 -3.799 -2.377 -1.292 1.00 0.00 C ATOM 2128 CZ PHE A 133 -3.355 -3.316 -0.356 1.00 0.00 C ATOM 0 H PHE A 133 -4.981 0.891 0.015 1.00 0.00 H new ATOM 0 HA PHE A 133 -2.939 1.239 2.166 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -2.445 1.366 -0.822 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -1.319 0.945 0.454 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -1.673 -1.232 1.745 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -3.826 -0.298 -1.856 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -2.245 -3.630 1.462 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -4.389 -2.697 -2.138 1.00 0.00 H new ATOM 0 HZ PHE A 133 -3.604 -4.360 -0.479 1.00 0.00 H new ATOM 2138 N LYS A 134 -2.583 3.733 1.825 1.00 0.00 N ATOM 2139 CA LYS A 134 -2.544 5.217 1.679 1.00 0.00 C ATOM 2140 C LYS A 134 -2.016 5.600 0.294 1.00 0.00 C ATOM 2141 O LYS A 134 -2.550 6.475 -0.358 1.00 0.00 O ATOM 2142 CB LYS A 134 -1.628 5.811 2.752 1.00 0.00 C ATOM 2143 CG LYS A 134 -1.707 7.338 2.691 1.00 0.00 C ATOM 2144 CD LYS A 134 -0.736 7.942 3.707 1.00 0.00 C ATOM 2145 CE LYS A 134 -0.944 9.456 3.777 1.00 0.00 C ATOM 2146 NZ LYS A 134 0.166 10.143 3.059 1.00 0.00 N ATOM 0 H LYS A 134 -2.060 3.358 2.617 1.00 0.00 H new ATOM 0 HA LYS A 134 -3.554 5.610 1.796 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -1.928 5.458 3.739 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -0.601 5.481 2.594 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -1.462 7.685 1.687 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -2.724 7.669 2.903 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -0.897 7.497 4.689 1.00 0.00 H new ATOM 0 HD3 LYS A 134 0.292 7.719 3.421 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -1.901 9.723 3.330 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -0.976 9.782 4.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 0.025 11.172 3.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 1.073 9.897 3.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 0.176 9.840 2.064 1.00 0.00 H new ATOM 2160 N GLU A 135 -0.972 4.962 -0.163 1.00 0.00 N ATOM 2161 CA GLU A 135 -0.425 5.309 -1.506 1.00 0.00 C ATOM 2162 C GLU A 135 -1.437 4.940 -2.589 1.00 0.00 C ATOM 2163 O GLU A 135 -1.686 5.706 -3.497 1.00 0.00 O ATOM 2164 CB GLU A 135 0.874 4.551 -1.738 1.00 0.00 C ATOM 2165 CG GLU A 135 1.924 5.020 -0.730 1.00 0.00 C ATOM 2166 CD GLU A 135 3.251 4.314 -1.004 1.00 0.00 C ATOM 2167 OE1 GLU A 135 3.243 3.346 -1.748 1.00 0.00 O ATOM 2168 OE2 GLU A 135 4.255 4.753 -0.469 1.00 0.00 O ATOM 0 H GLU A 135 -0.477 4.220 0.332 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.231 6.381 -1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 135 0.706 3.479 -1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 135 1.229 4.719 -2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 135 2.054 6.100 -0.801 1.00 0.00 H new ATOM 0 HG3 GLU A 135 1.589 4.805 0.285 1.00 0.00 H new ATOM 2176 N MET A 136 -2.034 3.784 -2.500 1.00 0.00 N ATOM 2177 CA MET A 136 -3.034 3.401 -3.533 1.00 0.00 C ATOM 2178 C MET A 136 -4.202 4.374 -3.473 1.00 0.00 C ATOM 2179 O MET A 136 -4.661 4.870 -4.482 1.00 0.00 O ATOM 2180 CB MET A 136 -3.565 1.997 -3.262 1.00 0.00 C ATOM 2181 CG MET A 136 -2.500 0.960 -3.600 1.00 0.00 C ATOM 2182 SD MET A 136 -3.208 -0.277 -4.709 1.00 0.00 S ATOM 2183 CE MET A 136 -3.536 0.844 -6.088 1.00 0.00 C ATOM 0 H MET A 136 -1.875 3.095 -1.765 1.00 0.00 H new ATOM 0 HA MET A 136 -2.557 3.426 -4.513 1.00 0.00 H new ATOM 0 HB2 MET A 136 -3.854 1.905 -2.215 1.00 0.00 H new ATOM 0 HB3 MET A 136 -4.460 1.817 -3.857 1.00 0.00 H new ATOM 0 HG2 MET A 136 -1.643 1.441 -4.072 1.00 0.00 H new ATOM 0 HG3 MET A 136 -2.137 0.484 -2.689 1.00 0.00 H new ATOM 0 HE1 MET A 136 -4.575 0.741 -6.401 1.00 0.00 H new ATOM 0 HE2 MET A 136 -3.352 1.871 -5.774 1.00 0.00 H new ATOM 0 HE3 MET A 136 -2.879 0.597 -6.922 1.00 0.00 H new ATOM 2193 N LYS A 137 -4.681 4.665 -2.296 1.00 0.00 N ATOM 2194 CA LYS A 137 -5.808 5.617 -2.192 1.00 0.00 C ATOM 2195 C LYS A 137 -5.351 6.949 -2.776 1.00 0.00 C ATOM 2196 O LYS A 137 -6.062 7.584 -3.525 1.00 0.00 O ATOM 2197 CB LYS A 137 -6.205 5.806 -0.726 1.00 0.00 C ATOM 2198 CG LYS A 137 -6.808 4.508 -0.186 1.00 0.00 C ATOM 2199 CD LYS A 137 -7.432 4.763 1.188 1.00 0.00 C ATOM 2200 CE LYS A 137 -6.333 5.092 2.202 1.00 0.00 C ATOM 2201 NZ LYS A 137 -6.905 5.064 3.578 1.00 0.00 N ATOM 0 H LYS A 137 -4.341 4.286 -1.412 1.00 0.00 H new ATOM 0 HA LYS A 137 -6.673 5.236 -2.736 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -5.333 6.087 -0.136 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -6.926 6.619 -0.636 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -7.564 4.132 -0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -6.037 3.741 -0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -8.143 5.587 1.128 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -7.989 3.885 1.514 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -5.519 4.371 2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -5.911 6.075 1.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -6.160 5.287 4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -7.667 5.768 3.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -7.288 4.117 3.776 1.00 0.00 H new ATOM 2215 N ALA A 138 -4.154 7.363 -2.449 1.00 0.00 N ATOM 2216 CA ALA A 138 -3.633 8.645 -2.996 1.00 0.00 C ATOM 2217 C ALA A 138 -3.297 8.464 -4.476 1.00 0.00 C ATOM 2218 O ALA A 138 -3.676 9.266 -5.304 1.00 0.00 O ATOM 2219 CB ALA A 138 -2.378 9.066 -2.234 1.00 0.00 C ATOM 0 H ALA A 138 -3.517 6.866 -1.826 1.00 0.00 H new ATOM 0 HA ALA A 138 -4.393 9.419 -2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -2.003 10.005 -2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -2.620 9.198 -1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -1.614 8.295 -2.337 1.00 0.00 H new ATOM 2225 N ALA A 139 -2.594 7.414 -4.826 1.00 0.00 N ATOM 2226 CA ALA A 139 -2.264 7.210 -6.263 1.00 0.00 C ATOM 2227 C ALA A 139 -3.574 7.185 -7.047 1.00 0.00 C ATOM 2228 O ALA A 139 -3.700 7.792 -8.092 1.00 0.00 O ATOM 2229 CB ALA A 139 -1.522 5.883 -6.449 1.00 0.00 C ATOM 0 H ALA A 139 -2.241 6.702 -4.187 1.00 0.00 H new ATOM 0 HA ALA A 139 -1.621 8.015 -6.620 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.285 5.743 -7.504 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.599 5.898 -5.869 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -2.153 5.062 -6.107 1.00 0.00 H new ATOM 2235 N LEU A 140 -4.562 6.509 -6.530 1.00 0.00 N ATOM 2236 CA LEU A 140 -5.878 6.471 -7.220 1.00 0.00 C ATOM 2237 C LEU A 140 -6.495 7.869 -7.169 1.00 0.00 C ATOM 2238 O LEU A 140 -7.087 8.338 -8.121 1.00 0.00 O ATOM 2239 CB LEU A 140 -6.795 5.475 -6.507 1.00 0.00 C ATOM 2240 CG LEU A 140 -6.401 4.049 -6.894 1.00 0.00 C ATOM 2241 CD1 LEU A 140 -6.918 3.074 -5.836 1.00 0.00 C ATOM 2242 CD2 LEU A 140 -7.028 3.705 -8.244 1.00 0.00 C ATOM 0 H LEU A 140 -4.513 5.981 -5.659 1.00 0.00 H new ATOM 0 HA LEU A 140 -5.752 6.160 -8.257 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -6.719 5.604 -5.427 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -7.834 5.663 -6.778 1.00 0.00 H new ATOM 0 HG LEU A 140 -5.316 3.974 -6.960 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -6.638 2.057 -6.111 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -6.482 3.322 -4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -8.004 3.147 -5.774 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -6.751 2.689 -8.526 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -8.113 3.778 -8.170 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -6.668 4.402 -9.001 1.00 0.00 H new ATOM 2254 N GLN A 141 -6.347 8.543 -6.057 1.00 0.00 N ATOM 2255 CA GLN A 141 -6.907 9.919 -5.931 1.00 0.00 C ATOM 2256 C GLN A 141 -6.063 10.886 -6.762 1.00 0.00 C ATOM 2257 O GLN A 141 -6.578 11.652 -7.551 1.00 0.00 O ATOM 2258 CB GLN A 141 -6.895 10.338 -4.454 1.00 0.00 C ATOM 2259 CG GLN A 141 -6.286 11.733 -4.295 1.00 0.00 C ATOM 2260 CD GLN A 141 -6.399 12.168 -2.833 1.00 0.00 C ATOM 2261 OE1 GLN A 141 -7.021 11.394 -1.985 1.00 0.00 O flip ATOM 2262 NE2 GLN A 141 -5.916 13.217 -2.458 1.00 0.00 N flip ATOM 0 H GLN A 141 -5.861 8.197 -5.230 1.00 0.00 H new ATOM 0 HA GLN A 141 -7.933 9.938 -6.298 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -7.911 10.332 -4.060 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -6.323 9.617 -3.870 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -5.241 11.724 -4.604 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -6.803 12.444 -4.939 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -5.430 13.821 -3.121 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -5.996 13.494 -1.480 1.00 0.00 H new ATOM 2271 N GLU A 142 -4.766 10.848 -6.603 1.00 0.00 N ATOM 2272 CA GLU A 142 -3.897 11.758 -7.397 1.00 0.00 C ATOM 2273 C GLU A 142 -4.027 11.389 -8.871 1.00 0.00 C ATOM 2274 O GLU A 142 -4.068 12.240 -9.736 1.00 0.00 O ATOM 2275 CB GLU A 142 -2.442 11.604 -6.951 1.00 0.00 C ATOM 2276 CG GLU A 142 -2.298 12.077 -5.505 1.00 0.00 C ATOM 2277 CD GLU A 142 -0.829 11.996 -5.086 1.00 0.00 C ATOM 2278 OE1 GLU A 142 -0.049 11.440 -5.841 1.00 0.00 O ATOM 2279 OE2 GLU A 142 -0.509 12.492 -4.018 1.00 0.00 O ATOM 0 H GLU A 142 -4.275 10.228 -5.959 1.00 0.00 H new ATOM 0 HA GLU A 142 -4.203 12.793 -7.244 1.00 0.00 H new ATOM 0 HB2 GLU A 142 -2.133 10.562 -7.036 1.00 0.00 H new ATOM 0 HB3 GLU A 142 -1.788 12.185 -7.601 1.00 0.00 H new ATOM 0 HG2 GLU A 142 -2.659 13.101 -5.408 1.00 0.00 H new ATOM 0 HG3 GLU A 142 -2.910 11.460 -4.847 1.00 0.00 H new ATOM 2287 N GLY A 143 -4.116 10.120 -9.162 1.00 0.00 N ATOM 2288 CA GLY A 143 -4.270 9.700 -10.579 1.00 0.00 C ATOM 2289 C GLY A 143 -5.562 10.309 -11.118 1.00 0.00 C ATOM 2290 O GLY A 143 -5.616 10.806 -12.223 1.00 0.00 O ATOM 0 H GLY A 143 -4.089 9.361 -8.482 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.417 10.034 -11.170 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.302 8.613 -10.652 1.00 0.00 H new ATOM 2294 N HIS A 144 -6.603 10.287 -10.325 1.00 0.00 N ATOM 2295 CA HIS A 144 -7.899 10.873 -10.763 1.00 0.00 C ATOM 2296 C HIS A 144 -7.716 12.370 -11.018 1.00 0.00 C ATOM 2297 O HIS A 144 -8.286 12.931 -11.932 1.00 0.00 O ATOM 2298 CB HIS A 144 -8.943 10.675 -9.661 1.00 0.00 C ATOM 2299 CG HIS A 144 -9.992 9.703 -10.121 1.00 0.00 C ATOM 2300 ND1 HIS A 144 -10.478 8.694 -9.298 1.00 0.00 N ATOM 2301 CD2 HIS A 144 -10.666 9.573 -11.310 1.00 0.00 C ATOM 2302 CE1 HIS A 144 -11.403 8.012 -9.998 1.00 0.00 C ATOM 2303 NE2 HIS A 144 -11.553 8.508 -11.226 1.00 0.00 N ATOM 0 H HIS A 144 -6.607 9.885 -9.388 1.00 0.00 H new ATOM 0 HA HIS A 144 -8.232 10.381 -11.677 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -8.463 10.304 -8.755 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -9.405 11.630 -9.409 1.00 0.00 H new ATOM 0 HD1 HIS A 144 -10.187 8.505 -8.339 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -10.528 10.202 -12.177 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -11.955 7.168 -9.613 1.00 0.00 H new ATOM 2312 N GLN A 145 -6.927 13.021 -10.208 1.00 0.00 N ATOM 2313 CA GLN A 145 -6.707 14.484 -10.390 1.00 0.00 C ATOM 2314 C GLN A 145 -6.243 14.767 -11.818 1.00 0.00 C ATOM 2315 O GLN A 145 -6.737 15.663 -12.473 1.00 0.00 O ATOM 2316 CB GLN A 145 -5.633 14.949 -9.403 1.00 0.00 C ATOM 2317 CG GLN A 145 -5.427 16.458 -9.539 1.00 0.00 C ATOM 2318 CD GLN A 145 -6.627 17.195 -8.940 1.00 0.00 C ATOM 2319 OE1 GLN A 145 -6.977 16.982 -7.795 1.00 0.00 O ATOM 2320 NE2 GLN A 145 -7.276 18.059 -9.671 1.00 0.00 N ATOM 0 H GLN A 145 -6.424 12.602 -9.426 1.00 0.00 H new ATOM 0 HA GLN A 145 -7.639 15.019 -10.208 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -5.931 14.703 -8.384 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -4.697 14.425 -9.596 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -4.511 16.758 -9.029 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -5.310 16.726 -10.589 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -6.982 18.237 -10.631 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -8.077 18.556 -9.282 1.00 0.00 H new ATOM 2329 N PHE A 146 -5.302 14.013 -12.309 1.00 0.00 N ATOM 2330 CA PHE A 146 -4.810 14.248 -13.696 1.00 0.00 C ATOM 2331 C PHE A 146 -5.940 13.980 -14.693 1.00 0.00 C ATOM 2332 O PHE A 146 -6.151 14.733 -15.619 1.00 0.00 O ATOM 2333 CB PHE A 146 -3.644 13.305 -13.995 1.00 0.00 C ATOM 2334 CG PHE A 146 -2.983 13.710 -15.295 1.00 0.00 C ATOM 2335 CD1 PHE A 146 -3.583 13.393 -16.523 1.00 0.00 C ATOM 2336 CD2 PHE A 146 -1.765 14.400 -15.273 1.00 0.00 C ATOM 2337 CE1 PHE A 146 -2.961 13.765 -17.718 1.00 0.00 C ATOM 2338 CE2 PHE A 146 -1.148 14.769 -16.474 1.00 0.00 C ATOM 2339 CZ PHE A 146 -1.749 14.447 -17.696 1.00 0.00 C ATOM 0 H PHE A 146 -4.852 13.245 -11.812 1.00 0.00 H new ATOM 0 HA PHE A 146 -4.477 15.282 -13.787 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -2.919 13.337 -13.181 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -4.002 12.278 -14.062 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.524 12.863 -16.545 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -1.302 14.648 -14.329 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -3.424 13.522 -18.663 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.209 15.302 -16.458 1.00 0.00 H new ATOM 0 HZ PHE A 146 -1.271 14.728 -18.623 1.00 0.00 H new ATOM 2349 N LEU A 147 -6.662 12.904 -14.515 1.00 0.00 N ATOM 2350 CA LEU A 147 -7.767 12.580 -15.462 1.00 0.00 C ATOM 2351 C LEU A 147 -8.705 13.779 -15.586 1.00 0.00 C ATOM 2352 O LEU A 147 -9.117 14.143 -16.669 1.00 0.00 O ATOM 2353 CB LEU A 147 -8.542 11.369 -14.940 1.00 0.00 C ATOM 2354 CG LEU A 147 -7.569 10.213 -14.706 1.00 0.00 C ATOM 2355 CD1 LEU A 147 -8.344 8.953 -14.329 1.00 0.00 C ATOM 2356 CD2 LEU A 147 -6.765 9.954 -15.983 1.00 0.00 C ATOM 0 H LEU A 147 -6.533 12.237 -13.754 1.00 0.00 H new ATOM 0 HA LEU A 147 -7.351 12.349 -16.443 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -9.054 11.622 -14.012 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -9.308 11.076 -15.657 1.00 0.00 H new ATOM 0 HG LEU A 147 -6.890 10.475 -13.894 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -7.646 8.132 -14.163 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.913 9.135 -13.417 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -9.027 8.691 -15.137 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -6.072 9.130 -15.816 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -7.445 9.697 -16.795 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -6.205 10.851 -16.249 1.00 0.00 H new ATOM 2368 N CYS A 148 -9.031 14.409 -14.494 1.00 0.00 N ATOM 2369 CA CYS A 148 -9.927 15.594 -14.570 1.00 0.00 C ATOM 2370 C CYS A 148 -9.231 16.681 -15.388 1.00 0.00 C ATOM 2371 O CYS A 148 -9.864 17.522 -15.995 1.00 0.00 O ATOM 2372 CB CYS A 148 -10.213 16.115 -13.159 1.00 0.00 C ATOM 2373 SG CYS A 148 -11.228 14.911 -12.265 1.00 0.00 S ATOM 0 H CYS A 148 -8.718 14.157 -13.557 1.00 0.00 H new ATOM 0 HA CYS A 148 -10.869 15.318 -15.043 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -9.278 16.285 -12.626 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -10.729 17.074 -13.211 1.00 0.00 H new ATOM 0 HG CYS A 148 -11.469 15.352 -11.066 1.00 0.00 H new ATOM 2379 N SER A 149 -7.926 16.669 -15.400 1.00 0.00 N ATOM 2380 CA SER A 149 -7.174 17.698 -16.168 1.00 0.00 C ATOM 2381 C SER A 149 -7.161 17.339 -17.654 1.00 0.00 C ATOM 2382 O SER A 149 -6.747 18.123 -18.485 1.00 0.00 O ATOM 2383 CB SER A 149 -5.735 17.760 -15.656 1.00 0.00 C ATOM 2384 OG SER A 149 -5.742 18.067 -14.267 1.00 0.00 O ATOM 0 H SER A 149 -7.347 15.988 -14.909 1.00 0.00 H new ATOM 0 HA SER A 149 -7.659 18.665 -16.036 1.00 0.00 H new ATOM 0 HB2 SER A 149 -5.235 16.807 -15.827 1.00 0.00 H new ATOM 0 HB3 SER A 149 -5.174 18.517 -16.204 1.00 0.00 H new ATOM 0 HG SER A 149 -6.059 17.290 -13.762 1.00 0.00 H new ATOM 2390 N ILE A 150 -7.603 16.163 -18.001 1.00 0.00 N ATOM 2391 CA ILE A 150 -7.610 15.770 -19.431 1.00 0.00 C ATOM 2392 C ILE A 150 -8.979 16.081 -20.020 1.00 0.00 C ATOM 2393 O ILE A 150 -9.631 17.035 -19.649 1.00 0.00 O ATOM 2394 CB ILE A 150 -7.331 14.272 -19.547 1.00 0.00 C ATOM 2395 CG1 ILE A 150 -6.177 13.896 -18.625 1.00 0.00 C ATOM 2396 CG2 ILE A 150 -6.941 13.931 -20.981 1.00 0.00 C ATOM 2397 CD1 ILE A 150 -5.785 12.435 -18.867 1.00 0.00 C ATOM 0 H ILE A 150 -7.959 15.459 -17.354 1.00 0.00 H new ATOM 0 HA ILE A 150 -6.841 16.322 -19.972 1.00 0.00 H new ATOM 0 HB ILE A 150 -8.229 13.721 -19.266 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -5.323 14.548 -18.809 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.468 14.038 -17.584 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -6.743 12.862 -21.060 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -7.756 14.199 -21.653 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.045 14.487 -21.256 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -4.960 12.166 -18.208 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -6.639 11.790 -18.661 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -5.477 12.308 -19.905 1.00 0.00 H new ATOM 2409 N GLU A 151 -9.422 15.271 -20.929 1.00 0.00 N ATOM 2410 CA GLU A 151 -10.758 15.502 -21.541 1.00 0.00 C ATOM 2411 C GLU A 151 -11.792 14.761 -20.714 1.00 0.00 C ATOM 2412 O GLU A 151 -12.934 14.596 -21.097 1.00 0.00 O ATOM 2413 CB GLU A 151 -10.762 14.985 -22.975 1.00 0.00 C ATOM 2414 CG GLU A 151 -9.548 15.558 -23.699 1.00 0.00 C ATOM 2415 CD GLU A 151 -9.699 15.348 -25.208 1.00 0.00 C ATOM 2416 OE1 GLU A 151 -10.654 14.697 -25.602 1.00 0.00 O ATOM 2417 OE2 GLU A 151 -8.859 15.839 -25.943 1.00 0.00 O ATOM 0 H GLU A 151 -8.919 14.456 -21.278 1.00 0.00 H new ATOM 0 HA GLU A 151 -10.990 16.567 -21.558 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -10.730 13.896 -22.985 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -11.680 15.281 -23.482 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -9.449 16.621 -23.478 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -8.639 15.073 -23.344 1.00 0.00 H new ATOM 2425 N ALA A 152 -11.375 14.313 -19.574 1.00 0.00 N ATOM 2426 CA ALA A 152 -12.291 13.565 -18.670 1.00 0.00 C ATOM 2427 C ALA A 152 -13.417 14.489 -18.201 1.00 0.00 C ATOM 2428 O ALA A 152 -14.571 14.113 -18.190 1.00 0.00 O ATOM 2429 CB ALA A 152 -11.510 13.068 -17.454 1.00 0.00 C ATOM 0 H ALA A 152 -10.426 14.432 -19.220 1.00 0.00 H new ATOM 0 HA ALA A 152 -12.715 12.717 -19.207 1.00 0.00 H new ATOM 0 HB1 ALA A 152 -12.179 12.520 -16.791 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -10.706 12.410 -17.782 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -11.087 13.919 -16.920 1.00 0.00 H new ATOM 2435 N LEU A 153 -13.086 15.693 -17.816 1.00 0.00 N ATOM 2436 CA LEU A 153 -14.135 16.645 -17.345 1.00 0.00 C ATOM 2437 C LEU A 153 -14.908 16.029 -16.175 1.00 0.00 C ATOM 2438 O LEU A 153 -14.622 14.910 -15.756 1.00 0.00 O ATOM 2439 CB LEU A 153 -15.097 16.958 -18.493 1.00 0.00 C ATOM 2440 CG LEU A 153 -14.431 17.932 -19.466 1.00 0.00 C ATOM 2441 CD1 LEU A 153 -15.105 17.830 -20.835 1.00 0.00 C ATOM 2442 CD2 LEU A 153 -14.577 19.360 -18.935 1.00 0.00 C ATOM 0 H LEU A 153 -12.134 16.059 -17.807 1.00 0.00 H new ATOM 0 HA LEU A 153 -13.659 17.567 -17.012 1.00 0.00 H new ATOM 0 HB2 LEU A 153 -15.372 16.040 -19.012 1.00 0.00 H new ATOM 0 HB3 LEU A 153 -16.018 17.391 -18.102 1.00 0.00 H new ATOM 0 HG LEU A 153 -13.374 17.682 -19.562 1.00 0.00 H new ATOM 0 HD11 LEU A 153 -14.629 18.525 -21.527 1.00 0.00 H new ATOM 0 HD12 LEU A 153 -15.005 16.813 -21.215 1.00 0.00 H new ATOM 0 HD13 LEU A 153 -16.162 18.079 -20.740 1.00 0.00 H new ATOM 0 HD21 LEU A 153 -14.103 20.056 -19.627 1.00 0.00 H new ATOM 0 HD22 LEU A 153 -15.634 19.607 -18.840 1.00 0.00 H new ATOM 0 HD23 LEU A 153 -14.098 19.436 -17.959 1.00 0.00 H new