USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 722 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 99 GLN :FLIP amide:sc= -0.137 F(o=-7.4!,f=-4.8) USER MOD Set 1.2: A 104 CYS SG : rot 64:sc= -4.65! USER MOD Set 2.1: A 94 MET CE :methyl 148:sc= -0.958 (180deg=-0.262) USER MOD Set 2.2: A 105 CYS SG : rot 150:sc= -3.18! USER MOD Single : A 9 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0719) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -10:sc= 0.527! USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0645 USER MOD Single : A 25 ASN : amide:sc= -1.31! C(o=-1.3!,f=-3.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot 110:sc= -0.489 USER MOD Single : A 34 TYR OH : rot 105:sc= 1.08 USER MOD Single : A 35 SER OG : rot -108:sc= -0.146 USER MOD Single : A 36 SER OG : rot -85:sc= 0.592 USER MOD Single : A 37 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.016) USER MOD Single : A 42 GLN :FLIP amide:sc= -1.12! C(o=-1.8!,f=-1.1!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 162:sc= -3.59! USER MOD Single : A 46 GLN :FLIP amide:sc= -0.32 F(o=-2.1,f=-0.32) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.396 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0.259 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.157) USER MOD Single : A 91 SER OG : rot 75:sc= 0.103 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl -166:sc= 0 (180deg=-0.122) USER MOD ----------------------------------------------------------------- ATOM 112 N LYS A 9 -4.864 7.503 -8.580 1.00 0.00 N ATOM 113 CA LYS A 9 -3.460 7.105 -8.423 1.00 0.00 C ATOM 114 C LYS A 9 -3.057 7.002 -6.949 1.00 0.00 C ATOM 115 O LYS A 9 -2.659 7.990 -6.322 1.00 0.00 O ATOM 116 CB LYS A 9 -2.542 8.093 -9.144 1.00 0.00 C ATOM 117 CG LYS A 9 -1.621 7.435 -10.159 1.00 0.00 C ATOM 118 CD LYS A 9 -0.174 7.455 -9.696 1.00 0.00 C ATOM 119 CE LYS A 9 0.479 6.092 -9.854 1.00 0.00 C ATOM 120 NZ LYS A 9 0.477 5.638 -11.273 1.00 0.00 N ATOM 0 HA LYS A 9 -3.352 6.117 -8.870 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.152 8.841 -9.650 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.938 8.621 -8.406 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.937 6.405 -10.324 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.705 7.951 -11.116 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.383 8.195 -10.270 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.129 7.762 -8.651 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.505 6.136 -9.488 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.048 5.363 -9.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.115 4.823 -11.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.487 5.361 -11.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.802 6.413 -11.886 1.00 0.00 H new ATOM 134 N ALA A 10 -3.182 5.802 -6.395 1.00 0.00 N ATOM 135 CA ALA A 10 -2.851 5.568 -4.998 1.00 0.00 C ATOM 136 C ALA A 10 -1.365 5.286 -4.805 1.00 0.00 C ATOM 137 O ALA A 10 -0.896 4.185 -5.084 1.00 0.00 O ATOM 138 CB ALA A 10 -3.682 4.421 -4.445 1.00 0.00 C ATOM 0 H ALA A 10 -3.511 4.976 -6.894 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.086 6.479 -4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.424 4.256 -3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.741 4.668 -4.523 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.477 3.515 -5.016 1.00 0.00 H new ATOM 144 N ILE A 11 -0.631 6.283 -4.319 1.00 0.00 N ATOM 145 CA ILE A 11 0.802 6.131 -4.082 1.00 0.00 C ATOM 146 C ILE A 11 1.120 6.175 -2.591 1.00 0.00 C ATOM 147 O ILE A 11 0.979 7.214 -1.947 1.00 0.00 O ATOM 148 CB ILE A 11 1.616 7.230 -4.796 1.00 0.00 C ATOM 149 CG1 ILE A 11 1.213 7.321 -6.269 1.00 0.00 C ATOM 150 CG2 ILE A 11 3.109 6.957 -4.665 1.00 0.00 C ATOM 151 CD1 ILE A 11 1.076 8.744 -6.766 1.00 0.00 C ATOM 0 H ILE A 11 -1.003 7.203 -4.082 1.00 0.00 H new ATOM 0 HA ILE A 11 1.084 5.159 -4.487 1.00 0.00 H new ATOM 0 HB ILE A 11 1.399 8.186 -4.320 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.956 6.802 -6.874 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.266 6.801 -6.412 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.668 7.742 -5.174 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.385 6.941 -3.611 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.344 5.993 -5.116 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.788 8.736 -7.817 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.312 9.260 -6.185 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.029 9.262 -6.654 1.00 0.00 H new ATOM 163 N PHE A 12 1.565 5.043 -2.053 1.00 0.00 N ATOM 164 CA PHE A 12 1.921 4.951 -0.641 1.00 0.00 C ATOM 165 C PHE A 12 3.405 4.618 -0.499 1.00 0.00 C ATOM 166 O PHE A 12 3.829 3.503 -0.800 1.00 0.00 O ATOM 167 CB PHE A 12 1.082 3.875 0.054 1.00 0.00 C ATOM 168 CG PHE A 12 -0.283 4.338 0.487 1.00 0.00 C ATOM 169 CD1 PHE A 12 -1.313 4.466 -0.433 1.00 0.00 C ATOM 170 CD2 PHE A 12 -0.540 4.633 1.818 1.00 0.00 C ATOM 171 CE1 PHE A 12 -2.571 4.880 -0.032 1.00 0.00 C ATOM 172 CE2 PHE A 12 -1.794 5.050 2.223 1.00 0.00 C ATOM 173 CZ PHE A 12 -2.811 5.173 1.294 1.00 0.00 C ATOM 0 H PHE A 12 1.688 4.175 -2.575 1.00 0.00 H new ATOM 0 HA PHE A 12 1.720 5.913 -0.169 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.968 3.027 -0.621 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.625 3.515 0.928 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.131 4.240 -1.473 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.250 4.536 2.548 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.365 4.974 -0.758 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.979 5.279 3.262 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.792 5.498 1.607 1.00 0.00 H new ATOM 183 N THR A 13 4.192 5.587 -0.044 1.00 0.00 N ATOM 184 CA THR A 13 5.627 5.385 0.130 1.00 0.00 C ATOM 185 C THR A 13 5.952 4.925 1.541 1.00 0.00 C ATOM 186 O THR A 13 5.599 5.586 2.513 1.00 0.00 O ATOM 187 CB THR A 13 6.423 6.667 -0.175 1.00 0.00 C ATOM 188 OG1 THR A 13 5.958 7.255 -1.396 1.00 0.00 O ATOM 189 CG2 THR A 13 7.908 6.364 -0.286 1.00 0.00 C ATOM 0 H THR A 13 3.862 6.518 0.211 1.00 0.00 H new ATOM 0 HA THR A 13 5.919 4.610 -0.579 1.00 0.00 H new ATOM 0 HB THR A 13 6.270 7.368 0.645 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.468 8.071 -1.581 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.452 7.284 -0.502 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.265 5.944 0.654 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.074 5.647 -1.090 1.00 0.00 H new ATOM 197 N VAL A 14 6.618 3.777 1.647 1.00 0.00 N ATOM 198 CA VAL A 14 6.982 3.214 2.945 1.00 0.00 C ATOM 199 C VAL A 14 8.366 2.572 2.901 1.00 0.00 C ATOM 200 O VAL A 14 8.980 2.478 1.841 1.00 0.00 O ATOM 201 CB VAL A 14 5.953 2.154 3.409 1.00 0.00 C ATOM 202 CG1 VAL A 14 4.567 2.484 2.887 1.00 0.00 C ATOM 203 CG2 VAL A 14 6.361 0.754 2.961 1.00 0.00 C ATOM 0 H VAL A 14 6.917 3.218 0.848 1.00 0.00 H new ATOM 0 HA VAL A 14 6.990 4.041 3.655 1.00 0.00 H new ATOM 0 HB VAL A 14 5.931 2.172 4.499 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.861 1.726 3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.260 3.460 3.263 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.584 2.504 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.619 0.032 3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.424 0.724 1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.333 0.504 3.387 1.00 0.00 H new ATOM 213 N ASP A 15 8.837 2.111 4.055 1.00 0.00 N ATOM 214 CA ASP A 15 10.133 1.447 4.145 1.00 0.00 C ATOM 215 C ASP A 15 9.931 -0.065 4.154 1.00 0.00 C ATOM 216 O ASP A 15 8.821 -0.540 4.375 1.00 0.00 O ATOM 217 CB ASP A 15 10.875 1.885 5.410 1.00 0.00 C ATOM 218 CG ASP A 15 11.042 3.389 5.494 1.00 0.00 C ATOM 219 OD1 ASP A 15 11.208 4.028 4.432 1.00 0.00 O ATOM 220 OD2 ASP A 15 11.009 3.929 6.619 1.00 0.00 O ATOM 0 H ASP A 15 8.340 2.185 4.943 1.00 0.00 H new ATOM 0 HA ASP A 15 10.734 1.727 3.280 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.331 1.534 6.287 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.857 1.412 5.434 1.00 0.00 H new ATOM 225 N ALA A 16 10.988 -0.824 3.898 1.00 0.00 N ATOM 226 CA ALA A 16 10.875 -2.278 3.874 1.00 0.00 C ATOM 227 C ALA A 16 11.139 -2.886 5.242 1.00 0.00 C ATOM 228 O ALA A 16 10.806 -4.045 5.487 1.00 0.00 O ATOM 229 CB ALA A 16 11.813 -2.869 2.833 1.00 0.00 C ATOM 0 H ALA A 16 11.923 -0.464 3.706 1.00 0.00 H new ATOM 0 HA ALA A 16 9.849 -2.524 3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.715 -3.955 2.829 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.556 -2.478 1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.841 -2.598 3.074 1.00 0.00 H new ATOM 235 N LYS A 17 11.721 -2.100 6.134 1.00 0.00 N ATOM 236 CA LYS A 17 12.006 -2.575 7.477 1.00 0.00 C ATOM 237 C LYS A 17 10.738 -2.548 8.326 1.00 0.00 C ATOM 238 O LYS A 17 10.413 -3.524 9.005 1.00 0.00 O ATOM 239 CB LYS A 17 13.096 -1.723 8.126 1.00 0.00 C ATOM 240 CG LYS A 17 12.876 -0.233 7.958 1.00 0.00 C ATOM 241 CD LYS A 17 13.709 0.571 8.939 1.00 0.00 C ATOM 242 CE LYS A 17 12.874 1.064 10.109 1.00 0.00 C ATOM 243 NZ LYS A 17 13.721 1.550 11.233 1.00 0.00 N ATOM 0 H LYS A 17 12.003 -1.137 5.953 1.00 0.00 H new ATOM 0 HA LYS A 17 12.363 -3.603 7.413 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.145 -1.958 9.189 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.061 -1.991 7.695 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.130 0.060 6.939 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.820 -0.002 8.102 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.529 -0.044 9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 17 14.156 1.422 8.426 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.220 1.869 9.774 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.232 0.257 10.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.112 1.877 12.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.328 0.776 11.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.316 2.337 10.904 1.00 0.00 H new ATOM 257 N THR A 18 10.042 -1.416 8.303 1.00 0.00 N ATOM 258 CA THR A 18 8.827 -1.269 9.099 1.00 0.00 C ATOM 259 C THR A 18 7.559 -1.152 8.268 1.00 0.00 C ATOM 260 O THR A 18 6.455 -1.326 8.787 1.00 0.00 O ATOM 261 CB THR A 18 8.923 -0.073 10.064 1.00 0.00 C ATOM 262 OG1 THR A 18 7.653 0.163 10.683 1.00 0.00 O ATOM 263 CG2 THR A 18 9.375 1.180 9.328 1.00 0.00 C ATOM 0 H THR A 18 10.293 -0.597 7.750 1.00 0.00 H new ATOM 0 HA THR A 18 8.752 -2.194 9.670 1.00 0.00 H new ATOM 0 HB THR A 18 9.660 -0.312 10.831 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.968 -0.381 10.242 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.436 2.012 10.029 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.355 1.007 8.884 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.658 1.419 8.543 1.00 0.00 H new ATOM 271 N THR A 19 7.714 -0.848 6.996 1.00 0.00 N ATOM 272 CA THR A 19 6.570 -0.698 6.096 1.00 0.00 C ATOM 273 C THR A 19 5.766 0.556 6.432 1.00 0.00 C ATOM 274 O THR A 19 4.720 0.815 5.835 1.00 0.00 O ATOM 275 CB THR A 19 5.635 -1.924 6.145 1.00 0.00 C ATOM 276 OG1 THR A 19 6.403 -3.120 6.333 1.00 0.00 O ATOM 277 CG2 THR A 19 4.817 -2.040 4.866 1.00 0.00 C ATOM 0 H THR A 19 8.621 -0.698 6.553 1.00 0.00 H new ATOM 0 HA THR A 19 6.978 -0.610 5.089 1.00 0.00 H new ATOM 0 HB THR A 19 4.951 -1.793 6.983 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.802 -3.893 6.365 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.167 -2.913 4.928 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.210 -1.143 4.740 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.488 -2.147 4.014 1.00 0.00 H new ATOM 285 N GLU A 20 6.268 1.335 7.386 1.00 0.00 N ATOM 286 CA GLU A 20 5.607 2.569 7.798 1.00 0.00 C ATOM 287 C GLU A 20 5.508 3.533 6.622 1.00 0.00 C ATOM 288 O GLU A 20 6.513 3.860 5.992 1.00 0.00 O ATOM 289 CB GLU A 20 6.371 3.222 8.953 1.00 0.00 C ATOM 290 CG GLU A 20 5.693 4.465 9.508 1.00 0.00 C ATOM 291 CD GLU A 20 6.657 5.370 10.252 1.00 0.00 C ATOM 292 OE1 GLU A 20 7.516 5.992 9.595 1.00 0.00 O ATOM 293 OE2 GLU A 20 6.548 5.458 11.494 1.00 0.00 O ATOM 0 H GLU A 20 7.132 1.133 7.889 1.00 0.00 H new ATOM 0 HA GLU A 20 4.600 2.327 8.138 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.490 2.494 9.756 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.372 3.486 8.612 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.236 5.021 8.690 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.888 4.167 10.180 1.00 0.00 H new ATOM 300 N ILE A 21 4.293 3.972 6.322 1.00 0.00 N ATOM 301 CA ILE A 21 4.068 4.884 5.207 1.00 0.00 C ATOM 302 C ILE A 21 4.664 6.262 5.476 1.00 0.00 C ATOM 303 O ILE A 21 4.093 7.070 6.208 1.00 0.00 O ATOM 304 CB ILE A 21 2.571 5.035 4.877 1.00 0.00 C ATOM 305 CG1 ILE A 21 1.784 3.805 5.338 1.00 0.00 C ATOM 306 CG2 ILE A 21 2.391 5.248 3.383 1.00 0.00 C ATOM 307 CD1 ILE A 21 0.742 4.110 6.389 1.00 0.00 C ATOM 0 H ILE A 21 3.449 3.713 6.833 1.00 0.00 H new ATOM 0 HA ILE A 21 4.572 4.440 4.349 1.00 0.00 H new ATOM 0 HB ILE A 21 2.184 5.903 5.410 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.295 3.353 4.475 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.481 3.066 5.733 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.330 5.354 3.156 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.920 6.151 3.078 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.794 4.392 2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.225 3.191 6.666 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.226 4.534 7.269 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.022 4.825 5.991 1.00 0.00 H new ATOM 319 N LEU A 22 5.820 6.516 4.870 1.00 0.00 N ATOM 320 CA LEU A 22 6.514 7.788 5.022 1.00 0.00 C ATOM 321 C LEU A 22 5.619 8.957 4.620 1.00 0.00 C ATOM 322 O LEU A 22 5.640 10.011 5.255 1.00 0.00 O ATOM 323 CB LEU A 22 7.794 7.802 4.179 1.00 0.00 C ATOM 324 CG LEU A 22 8.471 6.440 3.997 1.00 0.00 C ATOM 325 CD1 LEU A 22 9.694 6.568 3.101 1.00 0.00 C ATOM 326 CD2 LEU A 22 8.856 5.854 5.346 1.00 0.00 C ATOM 0 H LEU A 22 6.299 5.850 4.264 1.00 0.00 H new ATOM 0 HA LEU A 22 6.775 7.900 6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.557 8.206 3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.507 8.485 4.641 1.00 0.00 H new ATOM 0 HG LEU A 22 7.763 5.764 3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.162 5.591 2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.392 6.946 2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.406 7.259 3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.336 4.886 5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.547 6.528 5.852 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.962 5.726 5.956 1.00 0.00 H new ATOM 338 N VAL A 23 4.827 8.764 3.563 1.00 0.00 N ATOM 339 CA VAL A 23 3.927 9.806 3.084 1.00 0.00 C ATOM 340 C VAL A 23 3.053 9.302 1.934 1.00 0.00 C ATOM 341 O VAL A 23 3.399 8.332 1.257 1.00 0.00 O ATOM 342 CB VAL A 23 4.713 11.064 2.634 1.00 0.00 C ATOM 343 CG1 VAL A 23 4.666 11.246 1.121 1.00 0.00 C ATOM 344 CG2 VAL A 23 4.181 12.302 3.340 1.00 0.00 C ATOM 0 H VAL A 23 4.793 7.897 3.026 1.00 0.00 H new ATOM 0 HA VAL A 23 3.280 10.078 3.918 1.00 0.00 H new ATOM 0 HB VAL A 23 5.757 10.921 2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.228 12.138 0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.106 10.375 0.636 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.630 11.356 0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.743 13.177 3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.127 12.436 3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.291 12.182 4.418 1.00 0.00 H new ATOM 354 N ALA A 24 1.932 9.981 1.713 1.00 0.00 N ATOM 355 CA ALA A 24 1.012 9.625 0.640 1.00 0.00 C ATOM 356 C ALA A 24 0.424 10.883 0.007 1.00 0.00 C ATOM 357 O ALA A 24 0.419 11.947 0.624 1.00 0.00 O ATOM 358 CB ALA A 24 -0.092 8.718 1.159 1.00 0.00 C ATOM 0 H ALA A 24 1.638 10.786 2.267 1.00 0.00 H new ATOM 0 HA ALA A 24 1.566 9.081 -0.125 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.768 8.464 0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.347 7.806 1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.647 9.233 1.943 1.00 0.00 H new ATOM 364 N ASN A 25 -0.051 10.765 -1.227 1.00 0.00 N ATOM 365 CA ASN A 25 -0.615 11.912 -1.932 1.00 0.00 C ATOM 366 C ASN A 25 -2.138 11.958 -1.831 1.00 0.00 C ATOM 367 O ASN A 25 -2.754 11.164 -1.121 1.00 0.00 O ATOM 368 CB ASN A 25 -0.193 11.885 -3.402 1.00 0.00 C ATOM 369 CG ASN A 25 -0.915 10.808 -4.191 1.00 0.00 C ATOM 370 OD1 ASN A 25 -0.932 9.641 -3.801 1.00 0.00 O ATOM 371 ND2 ASN A 25 -1.516 11.197 -5.308 1.00 0.00 N ATOM 0 H ASN A 25 -0.058 9.894 -1.758 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.226 12.811 -1.453 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.393 12.857 -3.853 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.882 11.719 -3.466 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.017 10.518 -5.881 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.477 12.175 -5.594 1.00 0.00 H new ATOM 378 N ASP A 26 -2.729 12.909 -2.552 1.00 0.00 N ATOM 379 CA ASP A 26 -4.179 13.080 -2.553 1.00 0.00 C ATOM 380 C ASP A 26 -4.864 11.834 -3.090 1.00 0.00 C ATOM 381 O ASP A 26 -5.500 11.111 -2.330 1.00 0.00 O ATOM 382 CB ASP A 26 -4.572 14.299 -3.390 1.00 0.00 C ATOM 383 CG ASP A 26 -3.662 15.486 -3.145 1.00 0.00 C ATOM 384 OD1 ASP A 26 -3.501 15.878 -1.971 1.00 0.00 O ATOM 385 OD2 ASP A 26 -3.109 16.022 -4.128 1.00 0.00 O ATOM 0 H ASP A 26 -2.226 13.572 -3.142 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.505 13.240 -1.525 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.543 14.035 -4.447 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.600 14.579 -3.159 1.00 0.00 H new ATOM 390 N LYS A 27 -4.738 11.599 -4.398 1.00 0.00 N ATOM 391 CA LYS A 27 -5.359 10.438 -5.038 1.00 0.00 C ATOM 392 C LYS A 27 -5.388 9.241 -4.088 1.00 0.00 C ATOM 393 O LYS A 27 -6.462 8.786 -3.694 1.00 0.00 O ATOM 394 CB LYS A 27 -4.615 10.083 -6.322 1.00 0.00 C ATOM 395 CG LYS A 27 -4.581 11.213 -7.338 1.00 0.00 C ATOM 396 CD LYS A 27 -5.757 11.137 -8.300 1.00 0.00 C ATOM 397 CE LYS A 27 -7.027 11.698 -7.675 1.00 0.00 C ATOM 398 NZ LYS A 27 -7.765 12.583 -8.616 1.00 0.00 N ATOM 0 H LYS A 27 -4.211 12.198 -5.034 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.388 10.695 -5.288 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.593 9.799 -6.073 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.086 9.211 -6.776 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.597 12.171 -6.818 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.648 11.170 -7.899 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.522 11.692 -9.208 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.922 10.100 -8.593 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.674 10.876 -7.367 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.772 12.257 -6.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.623 12.944 -8.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.158 13.381 -8.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.031 12.043 -9.464 1.00 0.00 H new ATOM 412 N ALA A 28 -4.208 8.750 -3.707 1.00 0.00 N ATOM 413 CA ALA A 28 -4.110 7.621 -2.782 1.00 0.00 C ATOM 414 C ALA A 28 -5.047 7.802 -1.589 1.00 0.00 C ATOM 415 O ALA A 28 -5.892 6.950 -1.311 1.00 0.00 O ATOM 416 CB ALA A 28 -2.677 7.467 -2.295 1.00 0.00 C ATOM 0 H ALA A 28 -3.310 9.115 -4.024 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.409 6.720 -3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.615 6.624 -1.607 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.020 7.289 -3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.367 8.377 -1.782 1.00 0.00 H new ATOM 422 N CYS A 29 -4.885 8.919 -0.893 1.00 0.00 N ATOM 423 CA CYS A 29 -5.708 9.229 0.270 1.00 0.00 C ATOM 424 C CYS A 29 -7.189 9.159 -0.089 1.00 0.00 C ATOM 425 O CYS A 29 -8.003 8.669 0.693 1.00 0.00 O ATOM 426 CB CYS A 29 -5.350 10.618 0.802 1.00 0.00 C ATOM 427 SG CYS A 29 -6.631 11.871 0.550 1.00 0.00 S ATOM 0 H CYS A 29 -4.187 9.630 -1.115 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.512 8.491 1.048 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.139 10.541 1.869 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.432 10.953 0.319 1.00 0.00 H new ATOM 0 HG CYS A 29 -7.162 12.185 1.694 1.00 0.00 H new ATOM 433 N GLY A 30 -7.524 9.638 -1.284 1.00 0.00 N ATOM 434 CA GLY A 30 -8.901 9.606 -1.735 1.00 0.00 C ATOM 435 C GLY A 30 -9.416 8.186 -1.828 1.00 0.00 C ATOM 436 O GLY A 30 -10.565 7.908 -1.486 1.00 0.00 O ATOM 0 H GLY A 30 -6.865 10.047 -1.947 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.525 10.177 -1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.978 10.088 -2.710 1.00 0.00 H new ATOM 440 N LEU A 31 -8.546 7.288 -2.281 1.00 0.00 N ATOM 441 CA LEU A 31 -8.886 5.877 -2.411 1.00 0.00 C ATOM 442 C LEU A 31 -9.495 5.368 -1.103 1.00 0.00 C ATOM 443 O LEU A 31 -10.632 4.893 -1.089 1.00 0.00 O ATOM 444 CB LEU A 31 -7.627 5.082 -2.803 1.00 0.00 C ATOM 445 CG LEU A 31 -7.730 3.550 -2.801 1.00 0.00 C ATOM 446 CD1 LEU A 31 -7.245 2.998 -1.473 1.00 0.00 C ATOM 447 CD2 LEU A 31 -9.148 3.074 -3.106 1.00 0.00 C ATOM 0 H LEU A 31 -7.594 7.516 -2.566 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.630 5.741 -3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.326 5.398 -3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.824 5.367 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.090 3.169 -3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.322 1.911 -1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.206 3.287 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.859 3.399 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.176 1.984 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.832 3.463 -2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.449 3.435 -4.090 1.00 0.00 H new ATOM 459 N LEU A 32 -8.753 5.492 -0.004 1.00 0.00 N ATOM 460 CA LEU A 32 -9.274 5.058 1.292 1.00 0.00 C ATOM 461 C LEU A 32 -9.988 6.206 2.002 1.00 0.00 C ATOM 462 O LEU A 32 -11.217 6.250 2.051 1.00 0.00 O ATOM 463 CB LEU A 32 -8.185 4.488 2.212 1.00 0.00 C ATOM 464 CG LEU A 32 -6.735 4.604 1.735 1.00 0.00 C ATOM 465 CD1 LEU A 32 -6.282 6.056 1.717 1.00 0.00 C ATOM 466 CD2 LEU A 32 -5.841 3.778 2.646 1.00 0.00 C ATOM 0 H LEU A 32 -7.810 5.880 0.018 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.982 4.256 1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.264 4.987 3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.402 3.433 2.379 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.665 4.224 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.249 6.111 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.919 6.627 1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.354 6.472 2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.807 3.857 2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.920 4.149 3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.154 2.734 2.614 1.00 0.00 H new ATOM 478 N GLY A 33 -9.205 7.128 2.552 1.00 0.00 N ATOM 479 CA GLY A 33 -9.769 8.264 3.257 1.00 0.00 C ATOM 480 C GLY A 33 -8.781 8.866 4.232 1.00 0.00 C ATOM 481 O GLY A 33 -9.165 9.433 5.257 1.00 0.00 O ATOM 0 H GLY A 33 -8.186 7.108 2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.077 9.022 2.537 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.665 7.951 3.794 1.00 0.00 H new ATOM 485 N TYR A 34 -7.499 8.732 3.911 1.00 0.00 N ATOM 486 CA TYR A 34 -6.429 9.254 4.756 1.00 0.00 C ATOM 487 C TYR A 34 -5.753 10.449 4.090 1.00 0.00 C ATOM 488 O TYR A 34 -6.410 11.260 3.437 1.00 0.00 O ATOM 489 CB TYR A 34 -5.394 8.156 5.021 1.00 0.00 C ATOM 490 CG TYR A 34 -5.881 7.046 5.924 1.00 0.00 C ATOM 491 CD1 TYR A 34 -6.886 6.181 5.514 1.00 0.00 C ATOM 492 CD2 TYR A 34 -5.328 6.861 7.184 1.00 0.00 C ATOM 493 CE1 TYR A 34 -7.328 5.163 6.336 1.00 0.00 C ATOM 494 CE2 TYR A 34 -5.764 5.844 8.013 1.00 0.00 C ATOM 495 CZ TYR A 34 -6.763 4.998 7.583 1.00 0.00 C ATOM 496 OH TYR A 34 -7.201 3.984 8.404 1.00 0.00 O ATOM 0 H TYR A 34 -7.173 8.263 3.066 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.862 9.581 5.701 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.087 7.725 4.068 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.508 8.608 5.466 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.329 6.306 4.537 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.544 7.523 7.522 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.112 4.499 6.004 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.325 5.714 8.991 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.539 3.261 8.413 1.00 0.00 H new ATOM 506 N SER A 35 -4.433 10.536 4.258 1.00 0.00 N ATOM 507 CA SER A 35 -3.626 11.605 3.674 1.00 0.00 C ATOM 508 C SER A 35 -2.210 11.546 4.224 1.00 0.00 C ATOM 509 O SER A 35 -1.953 10.867 5.215 1.00 0.00 O ATOM 510 CB SER A 35 -4.229 12.980 3.944 1.00 0.00 C ATOM 511 OG SER A 35 -4.341 13.230 5.332 1.00 0.00 O ATOM 0 H SER A 35 -3.893 9.865 4.804 1.00 0.00 H new ATOM 0 HA SER A 35 -3.607 11.454 2.595 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.608 13.748 3.483 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.213 13.045 3.480 1.00 0.00 H new ATOM 0 HG SER A 35 -5.284 13.191 5.596 1.00 0.00 H new ATOM 517 N SER A 36 -1.296 12.254 3.577 1.00 0.00 N ATOM 518 CA SER A 36 0.099 12.272 4.004 1.00 0.00 C ATOM 519 C SER A 36 0.228 12.544 5.502 1.00 0.00 C ATOM 520 O SER A 36 1.149 12.050 6.150 1.00 0.00 O ATOM 521 CB SER A 36 0.878 13.331 3.221 1.00 0.00 C ATOM 522 OG SER A 36 0.012 14.108 2.411 1.00 0.00 O ATOM 0 H SER A 36 -1.493 12.824 2.754 1.00 0.00 H new ATOM 0 HA SER A 36 0.516 11.285 3.802 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.412 13.981 3.915 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.628 12.847 2.596 1.00 0.00 H new ATOM 0 HG SER A 36 -0.135 13.650 1.557 1.00 0.00 H new ATOM 528 N GLN A 37 -0.684 13.348 6.041 1.00 0.00 N ATOM 529 CA GLN A 37 -0.654 13.700 7.461 1.00 0.00 C ATOM 530 C GLN A 37 -1.640 12.878 8.295 1.00 0.00 C ATOM 531 O GLN A 37 -1.677 13.011 9.519 1.00 0.00 O ATOM 532 CB GLN A 37 -0.951 15.189 7.635 1.00 0.00 C ATOM 533 CG GLN A 37 -2.305 15.609 7.087 1.00 0.00 C ATOM 534 CD GLN A 37 -2.254 16.936 6.354 1.00 0.00 C ATOM 535 OE1 GLN A 37 -2.893 17.113 5.318 1.00 0.00 O ATOM 536 NE2 GLN A 37 -1.488 17.880 6.891 1.00 0.00 N ATOM 0 H GLN A 37 -1.453 13.769 5.519 1.00 0.00 H new ATOM 0 HA GLN A 37 0.348 13.471 7.825 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.904 15.438 8.695 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.172 15.767 7.137 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.673 14.838 6.410 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.019 15.679 7.908 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.974 17.692 7.752 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.414 18.793 6.442 1.00 0.00 H new ATOM 545 N ASP A 38 -2.455 12.052 7.643 1.00 0.00 N ATOM 546 CA ASP A 38 -3.447 11.250 8.359 1.00 0.00 C ATOM 547 C ASP A 38 -3.134 9.753 8.321 1.00 0.00 C ATOM 548 O ASP A 38 -3.779 8.968 9.018 1.00 0.00 O ATOM 549 CB ASP A 38 -4.841 11.497 7.779 1.00 0.00 C ATOM 550 CG ASP A 38 -5.392 12.860 8.155 1.00 0.00 C ATOM 551 OD1 ASP A 38 -5.015 13.377 9.228 1.00 0.00 O ATOM 552 OD2 ASP A 38 -6.201 13.407 7.378 1.00 0.00 O ATOM 0 H ASP A 38 -2.450 11.920 6.632 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.414 11.564 9.402 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.800 11.412 6.693 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.521 10.723 8.134 1.00 0.00 H new ATOM 557 N LEU A 39 -2.158 9.353 7.514 1.00 0.00 N ATOM 558 CA LEU A 39 -1.797 7.940 7.415 1.00 0.00 C ATOM 559 C LEU A 39 -0.332 7.717 7.777 1.00 0.00 C ATOM 560 O LEU A 39 0.077 6.594 8.079 1.00 0.00 O ATOM 561 CB LEU A 39 -2.090 7.409 6.006 1.00 0.00 C ATOM 562 CG LEU A 39 -1.296 8.066 4.880 1.00 0.00 C ATOM 563 CD1 LEU A 39 -0.084 7.222 4.519 1.00 0.00 C ATOM 564 CD2 LEU A 39 -2.183 8.273 3.663 1.00 0.00 C ATOM 0 H LEU A 39 -1.607 9.977 6.924 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.406 7.387 8.130 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.890 6.338 5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.153 7.538 5.801 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.945 9.039 5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.470 7.706 3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.560 7.118 5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.412 6.236 4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.605 8.742 2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.559 7.310 3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.022 8.916 3.929 1.00 0.00 H new ATOM 576 N ILE A 40 0.454 8.788 7.756 1.00 0.00 N ATOM 577 CA ILE A 40 1.869 8.697 8.093 1.00 0.00 C ATOM 578 C ILE A 40 2.056 8.244 9.539 1.00 0.00 C ATOM 579 O ILE A 40 1.348 8.700 10.438 1.00 0.00 O ATOM 580 CB ILE A 40 2.592 10.044 7.872 1.00 0.00 C ATOM 581 CG1 ILE A 40 4.116 9.856 7.931 1.00 0.00 C ATOM 582 CG2 ILE A 40 2.118 11.086 8.880 1.00 0.00 C ATOM 583 CD1 ILE A 40 4.711 9.972 9.322 1.00 0.00 C ATOM 0 H ILE A 40 0.136 9.726 7.510 1.00 0.00 H new ATOM 0 HA ILE A 40 2.311 7.956 7.427 1.00 0.00 H new ATOM 0 HB ILE A 40 2.341 10.412 6.877 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.364 8.876 7.524 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.586 10.598 7.285 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.641 12.026 8.705 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.045 11.241 8.766 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.329 10.737 9.891 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.790 9.826 9.270 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.498 10.961 9.727 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.273 9.212 9.970 1.00 0.00 H new ATOM 595 N GLY A 41 3.010 7.342 9.754 1.00 0.00 N ATOM 596 CA GLY A 41 3.271 6.847 11.091 1.00 0.00 C ATOM 597 C GLY A 41 2.932 5.377 11.248 1.00 0.00 C ATOM 598 O GLY A 41 3.603 4.656 11.985 1.00 0.00 O ATOM 0 H GLY A 41 3.605 6.947 9.026 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.323 7.001 11.332 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.691 7.428 11.809 1.00 0.00 H new ATOM 602 N GLN A 42 1.887 4.931 10.555 1.00 0.00 N ATOM 603 CA GLN A 42 1.470 3.532 10.626 1.00 0.00 C ATOM 604 C GLN A 42 1.875 2.781 9.364 1.00 0.00 C ATOM 605 O GLN A 42 2.694 3.261 8.582 1.00 0.00 O ATOM 606 CB GLN A 42 -0.044 3.431 10.836 1.00 0.00 C ATOM 607 CG GLN A 42 -0.822 4.588 10.236 1.00 0.00 C ATOM 608 CD GLN A 42 -1.161 5.656 11.259 1.00 0.00 C ATOM 609 OE1 GLN A 42 -1.144 6.911 10.828 1.00 0.00 O flip ATOM 610 NE2 GLN A 42 -1.436 5.355 12.420 1.00 0.00 N flip ATOM 0 H GLN A 42 1.317 5.513 9.942 1.00 0.00 H new ATOM 0 HA GLN A 42 1.973 3.074 11.477 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.401 2.499 10.398 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.251 3.381 11.905 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.239 5.034 9.430 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.743 4.210 9.792 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -1.437 4.376 12.707 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.663 6.084 13.096 1.00 0.00 H new ATOM 619 N LYS A 43 1.297 1.601 9.172 1.00 0.00 N ATOM 620 CA LYS A 43 1.595 0.780 8.003 1.00 0.00 C ATOM 621 C LYS A 43 0.377 0.686 7.092 1.00 0.00 C ATOM 622 O LYS A 43 -0.730 0.420 7.556 1.00 0.00 O ATOM 623 CB LYS A 43 2.043 -0.615 8.439 1.00 0.00 C ATOM 624 CG LYS A 43 3.007 -0.595 9.615 1.00 0.00 C ATOM 625 CD LYS A 43 2.962 -1.895 10.401 1.00 0.00 C ATOM 626 CE LYS A 43 1.851 -1.881 11.439 1.00 0.00 C ATOM 627 NZ LYS A 43 2.337 -2.316 12.777 1.00 0.00 N ATOM 0 H LYS A 43 0.618 1.190 9.812 1.00 0.00 H new ATOM 0 HA LYS A 43 2.406 1.250 7.446 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.166 -1.204 8.707 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.519 -1.117 7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.020 -0.424 9.252 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.760 0.237 10.274 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.811 -2.730 9.717 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.920 -2.056 10.895 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.435 -0.876 11.513 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.043 -2.537 11.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.550 -2.293 13.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.710 -3.284 12.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.091 -1.675 13.098 1.00 0.00 H new ATOM 641 N LEU A 44 0.583 0.943 5.801 1.00 0.00 N ATOM 642 CA LEU A 44 -0.511 0.922 4.828 1.00 0.00 C ATOM 643 C LEU A 44 -1.400 -0.315 4.965 1.00 0.00 C ATOM 644 O LEU A 44 -2.620 -0.220 4.864 1.00 0.00 O ATOM 645 CB LEU A 44 0.020 1.007 3.389 1.00 0.00 C ATOM 646 CG LEU A 44 1.447 0.503 3.153 1.00 0.00 C ATOM 647 CD1 LEU A 44 1.526 -1.012 3.294 1.00 0.00 C ATOM 648 CD2 LEU A 44 1.922 0.923 1.774 1.00 0.00 C ATOM 0 H LEU A 44 1.495 1.168 5.404 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.119 1.800 5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.652 0.441 2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.031 2.047 3.068 1.00 0.00 H new ATOM 0 HG LEU A 44 2.095 0.947 3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.551 -1.341 3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.217 -1.301 4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.867 -1.480 2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.938 0.561 1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.262 0.500 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.908 2.010 1.700 1.00 0.00 H new ATOM 660 N THR A 45 -0.783 -1.473 5.170 1.00 0.00 N ATOM 661 CA THR A 45 -1.516 -2.733 5.285 1.00 0.00 C ATOM 662 C THR A 45 -2.591 -2.698 6.364 1.00 0.00 C ATOM 663 O THR A 45 -3.492 -3.538 6.376 1.00 0.00 O ATOM 664 CB THR A 45 -0.559 -3.896 5.564 1.00 0.00 C ATOM 665 OG1 THR A 45 0.133 -3.684 6.800 1.00 0.00 O ATOM 666 CG2 THR A 45 0.439 -4.019 4.435 1.00 0.00 C ATOM 0 H THR A 45 0.229 -1.568 5.261 1.00 0.00 H new ATOM 0 HA THR A 45 -2.013 -2.881 4.326 1.00 0.00 H new ATOM 0 HB THR A 45 -1.137 -4.817 5.638 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.510 -4.532 7.113 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.118 -4.848 4.638 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.090 -4.204 3.500 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.010 -3.094 4.352 1.00 0.00 H new ATOM 674 N GLN A 46 -2.511 -1.722 7.257 1.00 0.00 N ATOM 675 CA GLN A 46 -3.499 -1.594 8.317 1.00 0.00 C ATOM 676 C GLN A 46 -4.846 -1.251 7.707 1.00 0.00 C ATOM 677 O GLN A 46 -5.898 -1.495 8.301 1.00 0.00 O ATOM 678 CB GLN A 46 -3.083 -0.510 9.315 1.00 0.00 C ATOM 679 CG GLN A 46 -2.993 -1.007 10.748 1.00 0.00 C ATOM 680 CD GLN A 46 -2.210 -0.067 11.643 1.00 0.00 C ATOM 681 OE1 GLN A 46 -1.029 0.337 11.187 1.00 0.00 O flip ATOM 682 NE2 GLN A 46 -2.660 0.293 12.731 1.00 0.00 N flip ATOM 0 H GLN A 46 -1.778 -1.013 7.269 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.570 -2.541 8.853 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.115 -0.106 9.018 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.799 0.310 9.268 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.999 -1.131 11.149 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -2.522 -1.990 10.759 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.572 -0.042 13.042 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.121 0.926 13.321 1.00 0.00 H new ATOM 691 N PHE A 47 -4.799 -0.668 6.517 1.00 0.00 N ATOM 692 CA PHE A 47 -6.005 -0.263 5.808 1.00 0.00 C ATOM 693 C PHE A 47 -6.193 -1.072 4.526 1.00 0.00 C ATOM 694 O PHE A 47 -6.533 -0.516 3.482 1.00 0.00 O ATOM 695 CB PHE A 47 -5.947 1.232 5.479 1.00 0.00 C ATOM 696 CG PHE A 47 -4.844 1.974 6.186 1.00 0.00 C ATOM 697 CD1 PHE A 47 -4.863 2.130 7.565 1.00 0.00 C ATOM 698 CD2 PHE A 47 -3.790 2.517 5.471 1.00 0.00 C ATOM 699 CE1 PHE A 47 -3.849 2.812 8.213 1.00 0.00 C ATOM 700 CE2 PHE A 47 -2.774 3.199 6.113 1.00 0.00 C ATOM 701 CZ PHE A 47 -2.803 3.346 7.486 1.00 0.00 C ATOM 0 H PHE A 47 -3.932 -0.464 6.020 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.858 -0.456 6.459 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.819 1.352 4.403 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.902 1.688 5.739 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.678 1.714 8.138 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.762 2.406 4.397 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.875 2.927 9.287 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.958 3.617 5.542 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.009 3.877 7.990 1.00 0.00 H new ATOM 711 N PHE A 48 -5.979 -2.383 4.614 1.00 0.00 N ATOM 712 CA PHE A 48 -6.135 -3.270 3.460 1.00 0.00 C ATOM 713 C PHE A 48 -6.618 -4.648 3.901 1.00 0.00 C ATOM 714 O PHE A 48 -6.261 -5.111 4.984 1.00 0.00 O ATOM 715 CB PHE A 48 -4.816 -3.400 2.691 1.00 0.00 C ATOM 716 CG PHE A 48 -4.369 -2.115 2.053 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.168 -1.477 1.118 1.00 0.00 C ATOM 718 CD2 PHE A 48 -3.158 -1.545 2.392 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.765 -0.293 0.535 1.00 0.00 C ATOM 720 CE2 PHE A 48 -2.748 -0.359 1.811 1.00 0.00 C ATOM 721 CZ PHE A 48 -3.553 0.266 0.882 1.00 0.00 C ATOM 0 H PHE A 48 -5.697 -2.856 5.472 1.00 0.00 H new ATOM 0 HA PHE A 48 -6.882 -2.831 2.799 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.040 -3.748 3.372 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.928 -4.161 1.919 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.117 -1.912 0.842 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.524 -2.031 3.119 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.398 0.195 -0.192 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.799 0.077 2.084 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.235 1.192 0.427 1.00 0.00 H new ATOM 731 N LEU A 49 -7.425 -5.283 3.043 1.00 0.00 N ATOM 732 CA LEU A 49 -7.988 -6.620 3.292 1.00 0.00 C ATOM 733 C LEU A 49 -7.779 -7.090 4.731 1.00 0.00 C ATOM 734 O LEU A 49 -6.723 -7.616 5.074 1.00 0.00 O ATOM 735 CB LEU A 49 -7.407 -7.658 2.312 1.00 0.00 C ATOM 736 CG LEU A 49 -6.018 -7.360 1.720 1.00 0.00 C ATOM 737 CD1 LEU A 49 -6.069 -6.183 0.757 1.00 0.00 C ATOM 738 CD2 LEU A 49 -4.991 -7.114 2.818 1.00 0.00 C ATOM 0 H LEU A 49 -7.709 -4.882 2.149 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.062 -6.533 3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.357 -8.618 2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.109 -7.774 1.486 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.707 -8.241 1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.073 -5.998 0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.753 -6.411 -0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.418 -5.296 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.020 -6.906 2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.301 -6.261 3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.916 -7.998 3.451 1.00 0.00 H new ATOM 750 N ARG A 50 -8.798 -6.897 5.567 1.00 0.00 N ATOM 751 CA ARG A 50 -8.736 -7.297 6.972 1.00 0.00 C ATOM 752 C ARG A 50 -7.654 -6.519 7.713 1.00 0.00 C ATOM 753 O ARG A 50 -6.460 -6.752 7.527 1.00 0.00 O ATOM 754 CB ARG A 50 -8.484 -8.802 7.095 1.00 0.00 C ATOM 755 CG ARG A 50 -9.239 -9.448 8.244 1.00 0.00 C ATOM 756 CD ARG A 50 -8.793 -10.882 8.466 1.00 0.00 C ATOM 757 NE ARG A 50 -9.207 -11.389 9.772 1.00 0.00 N ATOM 758 CZ ARG A 50 -9.635 -12.631 9.979 1.00 0.00 C ATOM 759 NH1 ARG A 50 -9.706 -13.488 8.968 1.00 0.00 N ATOM 760 NH2 ARG A 50 -9.992 -13.018 11.198 1.00 0.00 N ATOM 0 H ARG A 50 -9.680 -6.464 5.294 1.00 0.00 H new ATOM 0 HA ARG A 50 -9.699 -7.066 7.429 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.771 -9.288 6.163 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.416 -8.974 7.229 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.080 -8.871 9.155 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -10.309 -9.427 8.036 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -9.209 -11.516 7.683 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.708 -10.941 8.382 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.165 -10.755 10.570 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -9.432 -13.194 8.030 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.034 -14.440 9.129 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.938 -12.362 11.977 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.320 -13.971 11.355 1.00 0.00 H new ATOM 774 N SER A 51 -8.089 -5.582 8.548 1.00 0.00 N ATOM 775 CA SER A 51 -7.178 -4.745 9.320 1.00 0.00 C ATOM 776 C SER A 51 -6.815 -5.382 10.659 1.00 0.00 C ATOM 777 O SER A 51 -6.035 -4.816 11.426 1.00 0.00 O ATOM 778 CB SER A 51 -7.809 -3.372 9.556 1.00 0.00 C ATOM 779 OG SER A 51 -8.852 -3.449 10.514 1.00 0.00 O ATOM 0 H SER A 51 -9.076 -5.382 8.708 1.00 0.00 H new ATOM 0 HA SER A 51 -6.259 -4.638 8.743 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.047 -2.672 9.898 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.201 -2.982 8.617 1.00 0.00 H new ATOM 0 HG SER A 51 -9.239 -2.559 10.649 1.00 0.00 H new ATOM 785 N ASP A 52 -7.406 -6.533 10.958 1.00 0.00 N ATOM 786 CA ASP A 52 -7.150 -7.200 12.232 1.00 0.00 C ATOM 787 C ASP A 52 -5.947 -8.145 12.176 1.00 0.00 C ATOM 788 O ASP A 52 -4.908 -7.869 12.775 1.00 0.00 O ATOM 789 CB ASP A 52 -8.393 -7.975 12.672 1.00 0.00 C ATOM 790 CG ASP A 52 -9.333 -7.132 13.513 1.00 0.00 C ATOM 791 OD1 ASP A 52 -8.845 -6.224 14.220 1.00 0.00 O ATOM 792 OD2 ASP A 52 -10.556 -7.378 13.464 1.00 0.00 O ATOM 0 H ASP A 52 -8.059 -7.021 10.344 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.914 -6.421 12.957 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.923 -8.336 11.791 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.088 -8.852 13.242 1.00 0.00 H new ATOM 797 N SER A 53 -6.104 -9.275 11.488 1.00 0.00 N ATOM 798 CA SER A 53 -5.034 -10.272 11.400 1.00 0.00 C ATOM 799 C SER A 53 -4.156 -10.102 10.159 1.00 0.00 C ATOM 800 O SER A 53 -2.931 -10.169 10.250 1.00 0.00 O ATOM 801 CB SER A 53 -5.634 -11.676 11.416 1.00 0.00 C ATOM 802 OG SER A 53 -6.517 -11.869 10.326 1.00 0.00 O ATOM 0 H SER A 53 -6.956 -9.524 10.985 1.00 0.00 H new ATOM 0 HA SER A 53 -4.391 -10.122 12.267 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.835 -12.416 11.375 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.168 -11.835 12.353 1.00 0.00 H new ATOM 0 HG SER A 53 -6.885 -12.777 10.360 1.00 0.00 H new ATOM 808 N ASP A 54 -4.787 -9.927 9.004 1.00 0.00 N ATOM 809 CA ASP A 54 -4.069 -9.794 7.735 1.00 0.00 C ATOM 810 C ASP A 54 -2.879 -8.834 7.821 1.00 0.00 C ATOM 811 O ASP A 54 -1.760 -9.199 7.471 1.00 0.00 O ATOM 812 CB ASP A 54 -5.023 -9.335 6.636 1.00 0.00 C ATOM 813 CG ASP A 54 -5.453 -10.472 5.732 1.00 0.00 C ATOM 814 OD1 ASP A 54 -4.738 -10.748 4.746 1.00 0.00 O ATOM 815 OD2 ASP A 54 -6.504 -11.087 6.008 1.00 0.00 O ATOM 0 H ASP A 54 -5.802 -9.873 8.917 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.670 -10.780 7.496 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.904 -8.882 7.090 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.539 -8.562 6.038 1.00 0.00 H new ATOM 820 N VAL A 55 -3.129 -7.606 8.261 1.00 0.00 N ATOM 821 CA VAL A 55 -2.072 -6.600 8.363 1.00 0.00 C ATOM 822 C VAL A 55 -0.910 -7.075 9.240 1.00 0.00 C ATOM 823 O VAL A 55 0.205 -6.564 9.139 1.00 0.00 O ATOM 824 CB VAL A 55 -2.627 -5.268 8.913 1.00 0.00 C ATOM 825 CG1 VAL A 55 -3.465 -5.510 10.154 1.00 0.00 C ATOM 826 CG2 VAL A 55 -1.505 -4.282 9.211 1.00 0.00 C ATOM 0 H VAL A 55 -4.051 -7.281 8.553 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.692 -6.441 7.354 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.263 -4.830 8.144 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.847 -4.559 10.526 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.301 -6.165 9.907 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.851 -5.980 10.922 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.928 -3.355 9.597 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.832 -4.710 9.954 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.950 -4.075 8.296 1.00 0.00 H new ATOM 836 N VAL A 56 -1.174 -8.049 10.104 1.00 0.00 N ATOM 837 CA VAL A 56 -0.147 -8.572 11.000 1.00 0.00 C ATOM 838 C VAL A 56 0.695 -9.670 10.348 1.00 0.00 C ATOM 839 O VAL A 56 1.872 -9.829 10.675 1.00 0.00 O ATOM 840 CB VAL A 56 -0.768 -9.125 12.296 1.00 0.00 C ATOM 841 CG1 VAL A 56 0.307 -9.377 13.341 1.00 0.00 C ATOM 842 CG2 VAL A 56 -1.828 -8.172 12.829 1.00 0.00 C ATOM 0 H VAL A 56 -2.087 -8.492 10.204 1.00 0.00 H new ATOM 0 HA VAL A 56 0.505 -7.730 11.232 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.249 -10.077 12.068 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.153 -9.767 14.249 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.025 -10.102 12.957 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.821 -8.443 13.567 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.256 -8.579 13.745 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.374 -7.204 13.040 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.615 -8.049 12.084 1.00 0.00 H new ATOM 852 N GLU A 57 0.092 -10.437 9.444 1.00 0.00 N ATOM 853 CA GLU A 57 0.804 -11.528 8.777 1.00 0.00 C ATOM 854 C GLU A 57 1.497 -11.059 7.498 1.00 0.00 C ATOM 855 O GLU A 57 2.628 -11.455 7.213 1.00 0.00 O ATOM 856 CB GLU A 57 -0.159 -12.675 8.456 1.00 0.00 C ATOM 857 CG GLU A 57 -1.504 -12.211 7.917 1.00 0.00 C ATOM 858 CD GLU A 57 -2.668 -12.962 8.533 1.00 0.00 C ATOM 859 OE1 GLU A 57 -2.798 -12.938 9.776 1.00 0.00 O ATOM 860 OE2 GLU A 57 -3.448 -13.573 7.774 1.00 0.00 O ATOM 0 H GLU A 57 -0.880 -10.327 9.157 1.00 0.00 H new ATOM 0 HA GLU A 57 1.573 -11.881 9.464 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.307 -13.335 7.725 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.323 -13.264 9.359 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.621 -11.145 8.111 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.523 -12.343 6.835 1.00 0.00 H new ATOM 867 N ALA A 58 0.804 -10.229 6.727 1.00 0.00 N ATOM 868 CA ALA A 58 1.337 -9.715 5.470 1.00 0.00 C ATOM 869 C ALA A 58 2.728 -9.112 5.646 1.00 0.00 C ATOM 870 O ALA A 58 3.558 -9.168 4.738 1.00 0.00 O ATOM 871 CB ALA A 58 0.388 -8.681 4.884 1.00 0.00 C ATOM 0 H ALA A 58 -0.134 -9.896 6.952 1.00 0.00 H new ATOM 0 HA ALA A 58 1.428 -10.555 4.782 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.795 -8.304 3.946 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.583 -9.141 4.699 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.270 -7.856 5.586 1.00 0.00 H new ATOM 1086 N PHE A 74 -1.262 -9.176 -0.384 1.00 0.00 N ATOM 1087 CA PHE A 74 -0.659 -7.893 -0.735 1.00 0.00 C ATOM 1088 C PHE A 74 0.383 -8.081 -1.836 1.00 0.00 C ATOM 1089 O PHE A 74 0.828 -9.199 -2.092 1.00 0.00 O ATOM 1090 CB PHE A 74 -0.028 -7.229 0.492 1.00 0.00 C ATOM 1091 CG PHE A 74 -0.276 -5.743 0.570 1.00 0.00 C ATOM 1092 CD1 PHE A 74 -1.526 -5.212 0.273 1.00 0.00 C ATOM 1093 CD2 PHE A 74 0.745 -4.876 0.933 1.00 0.00 C ATOM 1094 CE1 PHE A 74 -1.748 -3.850 0.338 1.00 0.00 C ATOM 1095 CE2 PHE A 74 0.525 -3.515 1.001 1.00 0.00 C ATOM 1096 CZ PHE A 74 -0.720 -3.002 0.703 1.00 0.00 C ATOM 0 HA PHE A 74 -1.446 -7.237 -1.106 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.420 -7.702 1.392 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.047 -7.409 0.480 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.332 -5.872 -0.012 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.723 -5.271 1.165 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.723 -3.449 0.104 1.00 0.00 H new ATOM 0 HE2 PHE A 74 1.328 -2.852 1.288 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.892 -1.937 0.755 1.00 0.00 H new ATOM 1106 N GLY A 75 0.753 -6.986 -2.496 1.00 0.00 N ATOM 1107 CA GLY A 75 1.724 -7.068 -3.573 1.00 0.00 C ATOM 1108 C GLY A 75 1.111 -7.666 -4.825 1.00 0.00 C ATOM 1109 O GLY A 75 1.809 -7.961 -5.795 1.00 0.00 O ATOM 0 H GLY A 75 0.400 -6.048 -2.305 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.109 -6.073 -3.794 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.572 -7.675 -3.255 1.00 0.00 H new ATOM 1113 N THR A 76 -0.206 -7.836 -4.787 1.00 0.00 N ATOM 1114 CA THR A 76 -0.957 -8.392 -5.906 1.00 0.00 C ATOM 1115 C THR A 76 -2.359 -7.793 -5.957 1.00 0.00 C ATOM 1116 O THR A 76 -2.807 -7.172 -4.993 1.00 0.00 O ATOM 1117 CB THR A 76 -1.065 -9.926 -5.807 1.00 0.00 C ATOM 1118 OG1 THR A 76 -0.252 -10.407 -4.730 1.00 0.00 O ATOM 1119 CG2 THR A 76 -0.634 -10.581 -7.108 1.00 0.00 C ATOM 0 H THR A 76 -0.782 -7.593 -3.981 1.00 0.00 H new ATOM 0 HA THR A 76 -0.416 -8.139 -6.818 1.00 0.00 H new ATOM 0 HB THR A 76 -2.107 -10.184 -5.616 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.328 -11.382 -4.673 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.718 -11.664 -7.016 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.275 -10.235 -7.919 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.401 -10.315 -7.324 1.00 0.00 H new ATOM 1127 N VAL A 77 -3.055 -7.986 -7.071 1.00 0.00 N ATOM 1128 CA VAL A 77 -4.410 -7.466 -7.207 1.00 0.00 C ATOM 1129 C VAL A 77 -5.325 -8.157 -6.203 1.00 0.00 C ATOM 1130 O VAL A 77 -5.760 -9.288 -6.420 1.00 0.00 O ATOM 1131 CB VAL A 77 -4.963 -7.675 -8.631 1.00 0.00 C ATOM 1132 CG1 VAL A 77 -6.249 -6.885 -8.826 1.00 0.00 C ATOM 1133 CG2 VAL A 77 -3.925 -7.284 -9.671 1.00 0.00 C ATOM 0 H VAL A 77 -2.708 -8.493 -7.885 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.377 -6.394 -7.013 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.191 -8.733 -8.760 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.624 -7.045 -9.837 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.995 -7.220 -8.105 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.050 -5.824 -8.676 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.334 -7.439 -10.669 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.662 -6.234 -9.545 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.034 -7.899 -9.545 1.00 0.00 H new ATOM 1143 N VAL A 78 -5.592 -7.477 -5.091 1.00 0.00 N ATOM 1144 CA VAL A 78 -6.429 -8.034 -4.035 1.00 0.00 C ATOM 1145 C VAL A 78 -7.588 -7.111 -3.675 1.00 0.00 C ATOM 1146 O VAL A 78 -7.644 -5.962 -4.114 1.00 0.00 O ATOM 1147 CB VAL A 78 -5.604 -8.271 -2.756 1.00 0.00 C ATOM 1148 CG1 VAL A 78 -4.633 -9.421 -2.946 1.00 0.00 C ATOM 1149 CG2 VAL A 78 -4.863 -7.004 -2.363 1.00 0.00 C ATOM 0 H VAL A 78 -5.240 -6.539 -4.899 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.823 -8.974 -4.421 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.288 -8.536 -1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.061 -9.570 -2.030 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.187 -10.330 -3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.952 -9.191 -3.765 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.284 -7.187 -1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.191 -6.710 -3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.581 -6.205 -2.180 1.00 0.00 H new ATOM 1159 N ASP A 79 -8.485 -7.619 -2.839 1.00 0.00 N ATOM 1160 CA ASP A 79 -9.625 -6.844 -2.372 1.00 0.00 C ATOM 1161 C ASP A 79 -9.224 -6.090 -1.112 1.00 0.00 C ATOM 1162 O ASP A 79 -8.944 -6.700 -0.082 1.00 0.00 O ATOM 1163 CB ASP A 79 -10.820 -7.757 -2.086 1.00 0.00 C ATOM 1164 CG ASP A 79 -11.639 -8.044 -3.328 1.00 0.00 C ATOM 1165 OD1 ASP A 79 -11.330 -9.033 -4.027 1.00 0.00 O ATOM 1166 OD2 ASP A 79 -12.588 -7.281 -3.606 1.00 0.00 O ATOM 0 H ASP A 79 -8.443 -8.569 -2.470 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.922 -6.137 -3.146 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.463 -8.697 -1.665 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.457 -7.292 -1.334 1.00 0.00 H new ATOM 1171 N ILE A 80 -9.172 -4.768 -1.202 1.00 0.00 N ATOM 1172 CA ILE A 80 -8.770 -3.950 -0.066 1.00 0.00 C ATOM 1173 C ILE A 80 -9.967 -3.333 0.649 1.00 0.00 C ATOM 1174 O ILE A 80 -11.098 -3.396 0.171 1.00 0.00 O ATOM 1175 CB ILE A 80 -7.808 -2.829 -0.502 1.00 0.00 C ATOM 1176 CG1 ILE A 80 -8.548 -1.771 -1.324 1.00 0.00 C ATOM 1177 CG2 ILE A 80 -6.646 -3.407 -1.296 1.00 0.00 C ATOM 1178 CD1 ILE A 80 -7.915 -0.399 -1.252 1.00 0.00 C ATOM 0 H ILE A 80 -9.402 -4.241 -2.045 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.260 -4.617 0.629 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.411 -2.349 0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.584 -2.091 -2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.578 -1.706 -0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.975 -2.602 -1.597 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.102 -4.121 -0.677 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.027 -3.912 -2.183 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.492 0.300 -1.858 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.903 -0.058 -0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.894 -0.449 -1.629 1.00 0.00 H new ATOM 1190 N ILE A 81 -9.692 -2.727 1.799 1.00 0.00 N ATOM 1191 CA ILE A 81 -10.720 -2.078 2.601 1.00 0.00 C ATOM 1192 C ILE A 81 -10.175 -0.793 3.211 1.00 0.00 C ATOM 1193 O ILE A 81 -9.026 -0.743 3.642 1.00 0.00 O ATOM 1194 CB ILE A 81 -11.230 -2.996 3.730 1.00 0.00 C ATOM 1195 CG1 ILE A 81 -10.107 -3.913 4.223 1.00 0.00 C ATOM 1196 CG2 ILE A 81 -12.417 -3.814 3.249 1.00 0.00 C ATOM 1197 CD1 ILE A 81 -9.870 -3.827 5.716 1.00 0.00 C ATOM 0 H ILE A 81 -8.755 -2.672 2.199 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.555 -1.853 1.938 1.00 0.00 H new ATOM 0 HB ILE A 81 -11.555 -2.374 4.564 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -10.348 -4.943 3.960 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.185 -3.658 3.701 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -12.767 -4.457 4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -13.221 -3.144 2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -12.116 -4.428 2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.061 -4.502 5.996 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.598 -2.806 5.983 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.779 -4.111 6.246 1.00 0.00 H new ATOM 1209 N SER A 82 -10.997 0.249 3.236 1.00 0.00 N ATOM 1210 CA SER A 82 -10.576 1.532 3.784 1.00 0.00 C ATOM 1211 C SER A 82 -10.992 1.676 5.243 1.00 0.00 C ATOM 1212 O SER A 82 -11.711 0.834 5.781 1.00 0.00 O ATOM 1213 CB SER A 82 -11.165 2.679 2.958 1.00 0.00 C ATOM 1214 OG SER A 82 -12.215 3.324 3.656 1.00 0.00 O ATOM 0 H SER A 82 -11.955 0.231 2.885 1.00 0.00 H new ATOM 0 HA SER A 82 -9.488 1.574 3.736 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.383 3.401 2.723 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.538 2.294 2.009 1.00 0.00 H new ATOM 0 HG SER A 82 -12.573 4.053 3.108 1.00 0.00 H new ATOM 1220 N ARG A 83 -10.517 2.747 5.878 1.00 0.00 N ATOM 1221 CA ARG A 83 -10.822 3.015 7.284 1.00 0.00 C ATOM 1222 C ARG A 83 -12.315 2.852 7.589 1.00 0.00 C ATOM 1223 O ARG A 83 -12.691 2.538 8.718 1.00 0.00 O ATOM 1224 CB ARG A 83 -10.374 4.428 7.661 1.00 0.00 C ATOM 1225 CG ARG A 83 -11.259 5.525 7.083 1.00 0.00 C ATOM 1226 CD ARG A 83 -10.443 6.733 6.652 1.00 0.00 C ATOM 1227 NE ARG A 83 -10.616 7.865 7.559 1.00 0.00 N ATOM 1228 CZ ARG A 83 -11.668 8.676 7.540 1.00 0.00 C ATOM 1229 NH1 ARG A 83 -12.644 8.482 6.662 1.00 0.00 N ATOM 1230 NH2 ARG A 83 -11.748 9.681 8.400 1.00 0.00 N ATOM 0 H ARG A 83 -9.917 3.446 5.439 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.276 2.283 7.879 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.361 4.518 8.747 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.351 4.579 7.317 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.812 5.135 6.228 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.995 5.829 7.827 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.388 6.461 6.609 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.737 7.028 5.645 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.885 8.043 8.248 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.588 7.709 5.999 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.451 9.106 6.650 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.001 9.833 9.078 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.556 10.303 8.384 1.00 0.00 H new ATOM 1244 N SER A 84 -13.161 3.080 6.586 1.00 0.00 N ATOM 1245 CA SER A 84 -14.607 2.966 6.767 1.00 0.00 C ATOM 1246 C SER A 84 -15.112 1.585 6.366 1.00 0.00 C ATOM 1247 O SER A 84 -16.183 1.156 6.801 1.00 0.00 O ATOM 1248 CB SER A 84 -15.329 4.039 5.949 1.00 0.00 C ATOM 1249 OG SER A 84 -16.729 3.985 6.159 1.00 0.00 O ATOM 0 H SER A 84 -12.872 3.344 5.644 1.00 0.00 H new ATOM 0 HA SER A 84 -14.821 3.112 7.826 1.00 0.00 H new ATOM 0 HB2 SER A 84 -14.955 5.025 6.225 1.00 0.00 H new ATOM 0 HB3 SER A 84 -15.111 3.901 4.890 1.00 0.00 H new ATOM 0 HG SER A 84 -17.167 4.682 5.626 1.00 0.00 H new ATOM 1255 N GLY A 85 -14.339 0.889 5.540 1.00 0.00 N ATOM 1256 CA GLY A 85 -14.728 -0.438 5.099 1.00 0.00 C ATOM 1257 C GLY A 85 -15.348 -0.427 3.720 1.00 0.00 C ATOM 1258 O GLY A 85 -16.504 -0.034 3.556 1.00 0.00 O ATOM 0 H GLY A 85 -13.449 1.220 5.167 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.853 -1.088 5.096 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.437 -0.861 5.810 1.00 0.00 H new ATOM 1262 N GLU A 86 -14.580 -0.862 2.728 1.00 0.00 N ATOM 1263 CA GLU A 86 -15.063 -0.904 1.354 1.00 0.00 C ATOM 1264 C GLU A 86 -14.419 -2.053 0.586 1.00 0.00 C ATOM 1265 O GLU A 86 -13.373 -1.885 -0.041 1.00 0.00 O ATOM 1266 CB GLU A 86 -14.765 0.420 0.642 1.00 0.00 C ATOM 1267 CG GLU A 86 -15.229 1.652 1.405 1.00 0.00 C ATOM 1268 CD GLU A 86 -15.007 2.936 0.629 1.00 0.00 C ATOM 1269 OE1 GLU A 86 -14.801 2.862 -0.601 1.00 0.00 O ATOM 1270 OE2 GLU A 86 -15.038 4.018 1.253 1.00 0.00 O ATOM 0 H GLU A 86 -13.622 -1.190 2.850 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.141 -1.062 1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.691 0.495 0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.244 0.410 -0.337 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -16.289 1.552 1.639 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.697 1.709 2.354 1.00 0.00 H new ATOM 1277 N LYS A 87 -15.051 -3.223 0.631 1.00 0.00 N ATOM 1278 CA LYS A 87 -14.533 -4.393 -0.070 1.00 0.00 C ATOM 1279 C LYS A 87 -14.619 -4.190 -1.579 1.00 0.00 C ATOM 1280 O LYS A 87 -15.701 -4.270 -2.164 1.00 0.00 O ATOM 1281 CB LYS A 87 -15.296 -5.662 0.329 1.00 0.00 C ATOM 1282 CG LYS A 87 -16.150 -5.511 1.578 1.00 0.00 C ATOM 1283 CD LYS A 87 -15.325 -5.679 2.845 1.00 0.00 C ATOM 1284 CE LYS A 87 -14.831 -7.108 3.008 1.00 0.00 C ATOM 1285 NZ LYS A 87 -13.361 -7.216 2.796 1.00 0.00 N ATOM 0 H LYS A 87 -15.918 -3.385 1.143 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.488 -4.517 0.216 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.936 -5.963 -0.500 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.580 -6.468 0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.623 -4.529 1.579 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.950 -6.251 1.564 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.473 -5.000 2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.926 -5.401 3.711 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.081 -7.467 4.007 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.348 -7.754 2.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.119 -8.192 2.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.071 -6.568 2.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.864 -6.964 3.674 1.00 0.00 H new ATOM 1299 N ILE A 88 -13.475 -3.923 -2.201 1.00 0.00 N ATOM 1300 CA ILE A 88 -13.424 -3.704 -3.642 1.00 0.00 C ATOM 1301 C ILE A 88 -12.134 -4.250 -4.245 1.00 0.00 C ATOM 1302 O ILE A 88 -11.061 -4.129 -3.653 1.00 0.00 O ATOM 1303 CB ILE A 88 -13.539 -2.206 -3.988 1.00 0.00 C ATOM 1304 CG1 ILE A 88 -12.585 -1.383 -3.120 1.00 0.00 C ATOM 1305 CG2 ILE A 88 -14.973 -1.729 -3.810 1.00 0.00 C ATOM 1306 CD1 ILE A 88 -12.244 -0.031 -3.709 1.00 0.00 C ATOM 0 H ILE A 88 -12.573 -3.853 -1.731 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.274 -4.239 -4.067 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.258 -2.068 -5.032 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.034 -1.239 -2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.665 -1.948 -2.970 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -15.037 -0.670 -4.058 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -15.630 -2.297 -4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -15.280 -1.879 -2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.564 0.496 -3.040 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.766 -0.167 -4.679 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -13.156 0.553 -3.833 1.00 0.00 H new ATOM 1318 N PRO A 89 -12.219 -4.858 -5.444 1.00 0.00 N ATOM 1319 CA PRO A 89 -11.050 -5.417 -6.132 1.00 0.00 C ATOM 1320 C PRO A 89 -10.100 -4.326 -6.618 1.00 0.00 C ATOM 1321 O PRO A 89 -10.502 -3.420 -7.350 1.00 0.00 O ATOM 1322 CB PRO A 89 -11.657 -6.170 -7.316 1.00 0.00 C ATOM 1323 CG PRO A 89 -12.961 -5.496 -7.567 1.00 0.00 C ATOM 1324 CD PRO A 89 -13.458 -5.039 -6.225 1.00 0.00 C ATOM 0 HA PRO A 89 -10.451 -6.050 -5.478 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.010 -6.118 -8.192 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.796 -7.226 -7.084 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.839 -4.652 -8.246 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.670 -6.180 -8.033 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -14.024 -4.111 -6.301 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -14.117 -5.777 -5.768 1.00 0.00 H new ATOM 1332 N VAL A 90 -8.838 -4.418 -6.206 1.00 0.00 N ATOM 1333 CA VAL A 90 -7.832 -3.437 -6.597 1.00 0.00 C ATOM 1334 C VAL A 90 -6.488 -4.109 -6.866 1.00 0.00 C ATOM 1335 O VAL A 90 -6.197 -5.175 -6.325 1.00 0.00 O ATOM 1336 CB VAL A 90 -7.644 -2.358 -5.507 1.00 0.00 C ATOM 1337 CG1 VAL A 90 -6.771 -1.220 -6.016 1.00 0.00 C ATOM 1338 CG2 VAL A 90 -8.991 -1.826 -5.034 1.00 0.00 C ATOM 0 H VAL A 90 -8.489 -5.162 -5.602 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.190 -2.962 -7.510 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.141 -2.822 -4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.653 -0.473 -5.231 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.792 -1.610 -6.296 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.242 -0.761 -6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.834 -1.068 -4.267 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.524 -1.385 -5.876 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.580 -2.644 -4.620 1.00 0.00 H new ATOM 1348 N SER A 91 -5.671 -3.471 -7.697 1.00 0.00 N ATOM 1349 CA SER A 91 -4.352 -3.998 -8.034 1.00 0.00 C ATOM 1350 C SER A 91 -3.285 -3.395 -7.128 1.00 0.00 C ATOM 1351 O SER A 91 -3.188 -2.173 -6.997 1.00 0.00 O ATOM 1352 CB SER A 91 -4.020 -3.705 -9.498 1.00 0.00 C ATOM 1353 OG SER A 91 -5.190 -3.685 -10.295 1.00 0.00 O ATOM 0 H SER A 91 -5.899 -2.586 -8.151 1.00 0.00 H new ATOM 0 HA SER A 91 -4.367 -5.077 -7.884 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.510 -2.745 -9.573 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.332 -4.462 -9.876 1.00 0.00 H new ATOM 0 HG SER A 91 -5.681 -2.852 -10.135 1.00 0.00 H new ATOM 1359 N VAL A 92 -2.492 -4.253 -6.494 1.00 0.00 N ATOM 1360 CA VAL A 92 -1.440 -3.795 -5.595 1.00 0.00 C ATOM 1361 C VAL A 92 -0.076 -4.343 -5.996 1.00 0.00 C ATOM 1362 O VAL A 92 0.076 -5.537 -6.249 1.00 0.00 O ATOM 1363 CB VAL A 92 -1.731 -4.217 -4.140 1.00 0.00 C ATOM 1364 CG1 VAL A 92 -0.590 -3.802 -3.219 1.00 0.00 C ATOM 1365 CG2 VAL A 92 -3.051 -3.628 -3.669 1.00 0.00 C ATOM 0 H VAL A 92 -2.558 -5.267 -6.586 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.423 -2.708 -5.668 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.811 -5.304 -4.106 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.816 -4.109 -2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.334 -4.280 -3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.470 -2.719 -3.254 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.240 -3.936 -2.641 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.003 -2.540 -3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.858 -3.985 -4.309 1.00 0.00 H new ATOM 1375 N TRP A 93 0.917 -3.461 -6.032 1.00 0.00 N ATOM 1376 CA TRP A 93 2.278 -3.862 -6.373 1.00 0.00 C ATOM 1377 C TRP A 93 3.286 -3.130 -5.497 1.00 0.00 C ATOM 1378 O TRP A 93 3.418 -1.908 -5.563 1.00 0.00 O ATOM 1379 CB TRP A 93 2.594 -3.630 -7.858 1.00 0.00 C ATOM 1380 CG TRP A 93 1.744 -2.594 -8.533 1.00 0.00 C ATOM 1381 CD1 TRP A 93 0.404 -2.668 -8.797 1.00 0.00 C ATOM 1382 CD2 TRP A 93 2.188 -1.340 -9.063 1.00 0.00 C ATOM 1383 NE1 TRP A 93 -0.011 -1.532 -9.447 1.00 0.00 N ATOM 1384 CE2 TRP A 93 1.065 -0.703 -9.624 1.00 0.00 C ATOM 1385 CE3 TRP A 93 3.426 -0.694 -9.114 1.00 0.00 C ATOM 1386 CZ2 TRP A 93 1.147 0.549 -10.228 1.00 0.00 C ATOM 1387 CZ3 TRP A 93 3.505 0.548 -9.714 1.00 0.00 C ATOM 1388 CH2 TRP A 93 2.371 1.158 -10.264 1.00 0.00 C ATOM 0 H TRP A 93 0.806 -2.467 -5.830 1.00 0.00 H new ATOM 0 HA TRP A 93 2.355 -4.933 -6.186 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.640 -3.336 -7.950 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.480 -4.575 -8.390 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -0.234 -3.498 -8.533 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -0.966 -1.337 -9.749 1.00 0.00 H new ATOM 0 HE3 TRP A 93 4.305 -1.157 -8.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 0.274 1.023 -10.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 4.457 1.057 -9.760 1.00 0.00 H new ATOM 0 HH2 TRP A 93 2.465 2.130 -10.726 1.00 0.00 H new ATOM 1399 N MET A 94 3.989 -3.895 -4.667 1.00 0.00 N ATOM 1400 CA MET A 94 4.984 -3.343 -3.761 1.00 0.00 C ATOM 1401 C MET A 94 6.385 -3.475 -4.344 1.00 0.00 C ATOM 1402 O MET A 94 6.788 -4.556 -4.776 1.00 0.00 O ATOM 1403 CB MET A 94 4.914 -4.063 -2.413 1.00 0.00 C ATOM 1404 CG MET A 94 4.761 -3.127 -1.230 1.00 0.00 C ATOM 1405 SD MET A 94 4.021 -3.936 0.203 1.00 0.00 S ATOM 1406 CE MET A 94 4.919 -3.151 1.539 1.00 0.00 C ATOM 0 H MET A 94 3.884 -4.908 -4.605 1.00 0.00 H new ATOM 0 HA MET A 94 4.769 -2.284 -3.620 1.00 0.00 H new ATOM 0 HB2 MET A 94 4.075 -4.759 -2.426 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.818 -4.657 -2.281 1.00 0.00 H new ATOM 0 HG2 MET A 94 5.739 -2.732 -0.955 1.00 0.00 H new ATOM 0 HG3 MET A 94 4.144 -2.277 -1.521 1.00 0.00 H new ATOM 0 HE1 MET A 94 4.274 -3.073 2.414 1.00 0.00 H new ATOM 0 HE2 MET A 94 5.797 -3.747 1.787 1.00 0.00 H new ATOM 0 HE3 MET A 94 5.233 -2.154 1.230 1.00 0.00 H new ATOM 1416 N LYS A 95 7.118 -2.368 -4.363 1.00 0.00 N ATOM 1417 CA LYS A 95 8.471 -2.358 -4.904 1.00 0.00 C ATOM 1418 C LYS A 95 9.466 -1.842 -3.871 1.00 0.00 C ATOM 1419 O LYS A 95 9.372 -0.702 -3.415 1.00 0.00 O ATOM 1420 CB LYS A 95 8.523 -1.501 -6.167 1.00 0.00 C ATOM 1421 CG LYS A 95 7.156 -1.265 -6.784 1.00 0.00 C ATOM 1422 CD LYS A 95 7.217 -1.254 -8.302 1.00 0.00 C ATOM 1423 CE LYS A 95 6.651 -2.536 -8.891 1.00 0.00 C ATOM 1424 NZ LYS A 95 6.978 -2.674 -10.337 1.00 0.00 N ATOM 0 H LYS A 95 6.798 -1.466 -4.010 1.00 0.00 H new ATOM 0 HA LYS A 95 8.748 -3.381 -5.158 1.00 0.00 H new ATOM 0 HB2 LYS A 95 8.978 -0.540 -5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 95 9.167 -1.985 -6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.469 -2.044 -6.453 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.756 -0.315 -6.429 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.658 -0.399 -8.684 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.251 -1.129 -8.625 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.048 -3.392 -8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 95 5.569 -2.549 -8.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 6.574 -3.561 -10.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 6.578 -1.870 -10.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.011 -2.688 -10.460 1.00 0.00 H new ATOM 1438 N ARG A 96 10.415 -2.695 -3.497 1.00 0.00 N ATOM 1439 CA ARG A 96 11.425 -2.335 -2.507 1.00 0.00 C ATOM 1440 C ARG A 96 12.572 -1.551 -3.136 1.00 0.00 C ATOM 1441 O ARG A 96 13.738 -1.770 -2.804 1.00 0.00 O ATOM 1442 CB ARG A 96 11.969 -3.594 -1.829 1.00 0.00 C ATOM 1443 CG ARG A 96 12.577 -4.592 -2.801 1.00 0.00 C ATOM 1444 CD ARG A 96 11.870 -5.935 -2.733 1.00 0.00 C ATOM 1445 NE ARG A 96 10.420 -5.798 -2.834 1.00 0.00 N ATOM 1446 CZ ARG A 96 9.588 -6.008 -1.821 1.00 0.00 C ATOM 1447 NH1 ARG A 96 10.057 -6.364 -0.632 1.00 0.00 N ATOM 1448 NH2 ARG A 96 8.281 -5.861 -1.994 1.00 0.00 N ATOM 0 H ARG A 96 10.506 -3.642 -3.865 1.00 0.00 H new ATOM 0 HA ARG A 96 10.948 -1.697 -1.763 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.724 -3.306 -1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.162 -4.079 -1.280 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.515 -4.198 -3.815 1.00 0.00 H new ATOM 0 HG3 ARG A 96 13.635 -4.724 -2.574 1.00 0.00 H new ATOM 0 HD2 ARG A 96 12.230 -6.575 -3.538 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.123 -6.430 -1.795 1.00 0.00 H new ATOM 0 HE ARG A 96 10.024 -5.526 -3.734 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.061 -6.478 -0.493 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.413 -6.524 0.143 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.915 -5.587 -2.906 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.642 -6.022 -1.215 1.00 0.00 H new ATOM 1462 N MET A 97 12.244 -0.626 -4.035 1.00 0.00 N ATOM 1463 CA MET A 97 13.261 0.192 -4.685 1.00 0.00 C ATOM 1464 C MET A 97 13.848 1.189 -3.692 1.00 0.00 C ATOM 1465 O MET A 97 13.593 1.097 -2.493 1.00 0.00 O ATOM 1466 CB MET A 97 12.664 0.929 -5.887 1.00 0.00 C ATOM 1467 CG MET A 97 11.753 2.086 -5.506 1.00 0.00 C ATOM 1468 SD MET A 97 11.647 3.342 -6.797 1.00 0.00 S ATOM 1469 CE MET A 97 10.299 2.698 -7.784 1.00 0.00 C ATOM 0 H MET A 97 11.288 -0.426 -4.328 1.00 0.00 H new ATOM 0 HA MET A 97 14.059 -0.460 -5.040 1.00 0.00 H new ATOM 0 HB2 MET A 97 13.475 1.307 -6.509 1.00 0.00 H new ATOM 0 HB3 MET A 97 12.101 0.220 -6.493 1.00 0.00 H new ATOM 0 HG2 MET A 97 10.755 1.703 -5.295 1.00 0.00 H new ATOM 0 HG3 MET A 97 12.119 2.545 -4.588 1.00 0.00 H new ATOM 0 HE1 MET A 97 10.272 3.214 -8.744 1.00 0.00 H new ATOM 0 HE2 MET A 97 10.447 1.631 -7.950 1.00 0.00 H new ATOM 0 HE3 MET A 97 9.356 2.856 -7.260 1.00 0.00 H new ATOM 1479 N ARG A 98 14.634 2.138 -4.189 1.00 0.00 N ATOM 1480 CA ARG A 98 15.247 3.140 -3.324 1.00 0.00 C ATOM 1481 C ARG A 98 14.780 4.543 -3.693 1.00 0.00 C ATOM 1482 O ARG A 98 14.792 4.927 -4.862 1.00 0.00 O ATOM 1483 CB ARG A 98 16.771 3.062 -3.420 1.00 0.00 C ATOM 1484 CG ARG A 98 17.356 1.809 -2.791 1.00 0.00 C ATOM 1485 CD ARG A 98 18.492 2.145 -1.837 1.00 0.00 C ATOM 1486 NE ARG A 98 19.765 1.589 -2.288 1.00 0.00 N ATOM 1487 CZ ARG A 98 20.891 1.662 -1.584 1.00 0.00 C ATOM 1488 NH1 ARG A 98 20.903 2.268 -0.404 1.00 0.00 N ATOM 1489 NH2 ARG A 98 22.007 1.127 -2.062 1.00 0.00 N ATOM 0 H ARG A 98 14.861 2.235 -5.179 1.00 0.00 H new ATOM 0 HA ARG A 98 14.939 2.932 -2.299 1.00 0.00 H new ATOM 0 HB2 ARG A 98 17.063 3.102 -4.469 1.00 0.00 H new ATOM 0 HB3 ARG A 98 17.203 3.938 -2.935 1.00 0.00 H new ATOM 0 HG2 ARG A 98 16.575 1.271 -2.254 1.00 0.00 H new ATOM 0 HG3 ARG A 98 17.721 1.144 -3.573 1.00 0.00 H new ATOM 0 HD2 ARG A 98 18.581 3.228 -1.745 1.00 0.00 H new ATOM 0 HD3 ARG A 98 18.259 1.759 -0.845 1.00 0.00 H new ATOM 0 HE ARG A 98 19.792 1.119 -3.193 1.00 0.00 H new ATOM 0 HH11 ARG A 98 20.047 2.680 -0.034 1.00 0.00 H new ATOM 0 HH12 ARG A 98 21.769 2.322 0.133 1.00 0.00 H new ATOM 0 HH21 ARG A 98 22.001 0.660 -2.969 1.00 0.00 H new ATOM 0 HH22 ARG A 98 22.871 1.183 -1.523 1.00 0.00 H new ATOM 1503 N GLN A 99 14.373 5.307 -2.683 1.00 0.00 N ATOM 1504 CA GLN A 99 13.909 6.673 -2.897 1.00 0.00 C ATOM 1505 C GLN A 99 14.848 7.668 -2.221 1.00 0.00 C ATOM 1506 O GLN A 99 14.733 8.878 -2.418 1.00 0.00 O ATOM 1507 CB GLN A 99 12.485 6.848 -2.364 1.00 0.00 C ATOM 1508 CG GLN A 99 11.490 5.850 -2.940 1.00 0.00 C ATOM 1509 CD GLN A 99 10.351 6.522 -3.684 1.00 0.00 C ATOM 1510 OE1 GLN A 99 9.132 6.356 -3.178 1.00 0.00 O flip ATOM 1511 NE2 GLN A 99 10.564 7.180 -4.702 1.00 0.00 N flip ATOM 0 H GLN A 99 14.355 5.003 -1.709 1.00 0.00 H new ATOM 0 HA GLN A 99 13.905 6.868 -3.969 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.498 6.750 -1.279 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.144 7.859 -2.588 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.011 5.173 -3.617 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.082 5.242 -2.132 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.516 7.281 -5.054 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.789 7.625 -5.193 1.00 0.00 H new ATOM 1520 N GLU A 100 15.778 7.147 -1.423 1.00 0.00 N ATOM 1521 CA GLU A 100 16.739 7.985 -0.718 1.00 0.00 C ATOM 1522 C GLU A 100 18.039 7.229 -0.453 1.00 0.00 C ATOM 1523 O GLU A 100 18.981 7.298 -1.245 1.00 0.00 O ATOM 1524 CB GLU A 100 16.145 8.487 0.600 1.00 0.00 C ATOM 1525 CG GLU A 100 16.986 9.555 1.280 1.00 0.00 C ATOM 1526 CD GLU A 100 16.591 9.776 2.727 1.00 0.00 C ATOM 1527 OE1 GLU A 100 16.642 8.807 3.513 1.00 0.00 O ATOM 1528 OE2 GLU A 100 16.229 10.920 3.075 1.00 0.00 O ATOM 0 H GLU A 100 15.884 6.147 -1.250 1.00 0.00 H new ATOM 0 HA GLU A 100 16.966 8.841 -1.353 1.00 0.00 H new ATOM 0 HB2 GLU A 100 15.149 8.887 0.411 1.00 0.00 H new ATOM 0 HB3 GLU A 100 16.026 7.643 1.280 1.00 0.00 H new ATOM 0 HG2 GLU A 100 18.037 9.268 1.234 1.00 0.00 H new ATOM 0 HG3 GLU A 100 16.887 10.493 0.733 1.00 0.00 H new ATOM 1535 N ARG A 101 18.087 6.507 0.663 1.00 0.00 N ATOM 1536 CA ARG A 101 19.272 5.739 1.029 1.00 0.00 C ATOM 1537 C ARG A 101 18.883 4.378 1.595 1.00 0.00 C ATOM 1538 O ARG A 101 19.740 3.597 2.008 1.00 0.00 O ATOM 1539 CB ARG A 101 20.109 6.507 2.056 1.00 0.00 C ATOM 1540 CG ARG A 101 21.138 7.436 1.434 1.00 0.00 C ATOM 1541 CD ARG A 101 21.853 8.258 2.494 1.00 0.00 C ATOM 1542 NE ARG A 101 23.306 8.142 2.393 1.00 0.00 N ATOM 1543 CZ ARG A 101 24.133 9.183 2.397 1.00 0.00 C ATOM 1544 NH1 ARG A 101 23.655 10.415 2.501 1.00 0.00 N ATOM 1545 NH2 ARG A 101 25.442 8.991 2.303 1.00 0.00 N ATOM 0 H ARG A 101 17.318 6.438 1.330 1.00 0.00 H new ATOM 0 HA ARG A 101 19.865 5.585 0.128 1.00 0.00 H new ATOM 0 HB2 ARG A 101 19.443 7.091 2.691 1.00 0.00 H new ATOM 0 HB3 ARG A 101 20.620 5.793 2.702 1.00 0.00 H new ATOM 0 HG2 ARG A 101 21.866 6.851 0.872 1.00 0.00 H new ATOM 0 HG3 ARG A 101 20.648 8.102 0.724 1.00 0.00 H new ATOM 0 HD2 ARG A 101 21.566 9.305 2.395 1.00 0.00 H new ATOM 0 HD3 ARG A 101 21.532 7.931 3.483 1.00 0.00 H new ATOM 0 HE ARG A 101 23.709 7.208 2.315 1.00 0.00 H new ATOM 0 HH11 ARG A 101 22.649 10.567 2.578 1.00 0.00 H new ATOM 0 HH12 ARG A 101 24.293 11.211 2.504 1.00 0.00 H new ATOM 0 HH21 ARG A 101 25.814 8.044 2.228 1.00 0.00 H new ATOM 0 HH22 ARG A 101 26.076 9.790 2.306 1.00 0.00 H new ATOM 1559 N ARG A 102 17.584 4.100 1.609 1.00 0.00 N ATOM 1560 CA ARG A 102 17.076 2.835 2.127 1.00 0.00 C ATOM 1561 C ARG A 102 16.025 2.250 1.187 1.00 0.00 C ATOM 1562 O ARG A 102 15.221 2.982 0.610 1.00 0.00 O ATOM 1563 CB ARG A 102 16.486 3.037 3.529 1.00 0.00 C ATOM 1564 CG ARG A 102 15.356 2.074 3.877 1.00 0.00 C ATOM 1565 CD ARG A 102 14.008 2.779 3.895 1.00 0.00 C ATOM 1566 NE ARG A 102 14.040 4.005 4.688 1.00 0.00 N ATOM 1567 CZ ARG A 102 14.156 4.027 6.012 1.00 0.00 C ATOM 1568 NH1 ARG A 102 14.250 2.893 6.694 1.00 0.00 N ATOM 1569 NH2 ARG A 102 14.175 5.186 6.658 1.00 0.00 N ATOM 0 H ARG A 102 16.863 4.735 1.267 1.00 0.00 H new ATOM 0 HA ARG A 102 17.905 2.130 2.193 1.00 0.00 H new ATOM 0 HB2 ARG A 102 17.282 2.926 4.265 1.00 0.00 H new ATOM 0 HB3 ARG A 102 16.116 4.059 3.611 1.00 0.00 H new ATOM 0 HG2 ARG A 102 15.333 1.261 3.151 1.00 0.00 H new ATOM 0 HG3 ARG A 102 15.546 1.625 4.852 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.710 3.016 2.874 1.00 0.00 H new ATOM 0 HD3 ARG A 102 13.252 2.106 4.300 1.00 0.00 H new ATOM 0 HE ARG A 102 13.969 4.896 4.197 1.00 0.00 H new ATOM 0 HH11 ARG A 102 14.233 1.999 6.202 1.00 0.00 H new ATOM 0 HH12 ARG A 102 14.339 2.915 7.710 1.00 0.00 H new ATOM 0 HH21 ARG A 102 14.101 6.061 6.139 1.00 0.00 H new ATOM 0 HH22 ARG A 102 14.264 5.202 7.674 1.00 0.00 H new ATOM 1583 N LEU A 103 16.032 0.926 1.047 1.00 0.00 N ATOM 1584 CA LEU A 103 15.070 0.248 0.186 1.00 0.00 C ATOM 1585 C LEU A 103 13.652 0.522 0.671 1.00 0.00 C ATOM 1586 O LEU A 103 13.167 -0.127 1.598 1.00 0.00 O ATOM 1587 CB LEU A 103 15.324 -1.264 0.152 1.00 0.00 C ATOM 1588 CG LEU A 103 16.320 -1.791 1.187 1.00 0.00 C ATOM 1589 CD1 LEU A 103 16.022 -3.244 1.522 1.00 0.00 C ATOM 1590 CD2 LEU A 103 17.742 -1.642 0.672 1.00 0.00 C ATOM 0 H LEU A 103 16.691 0.305 1.517 1.00 0.00 H new ATOM 0 HA LEU A 103 15.190 0.637 -0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 103 14.373 -1.777 0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 103 15.684 -1.531 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 103 16.218 -1.203 2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 103 16.740 -3.602 2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 103 15.014 -3.324 1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 103 16.098 -3.849 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 103 18.441 -2.021 1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 103 17.856 -2.209 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 103 17.951 -0.590 0.480 1.00 0.00 H new ATOM 1602 N CYS A 104 12.998 1.492 0.045 1.00 0.00 N ATOM 1603 CA CYS A 104 11.639 1.859 0.418 1.00 0.00 C ATOM 1604 C CYS A 104 10.611 1.086 -0.402 1.00 0.00 C ATOM 1605 O CYS A 104 10.725 0.979 -1.623 1.00 0.00 O ATOM 1606 CB CYS A 104 11.432 3.363 0.236 1.00 0.00 C ATOM 1607 SG CYS A 104 9.935 3.801 -0.682 1.00 0.00 S ATOM 0 H CYS A 104 13.387 2.039 -0.723 1.00 0.00 H new ATOM 0 HA CYS A 104 11.497 1.601 1.467 1.00 0.00 H new ATOM 0 HB2 CYS A 104 11.393 3.834 1.218 1.00 0.00 H new ATOM 0 HB3 CYS A 104 12.297 3.777 -0.282 1.00 0.00 H new ATOM 0 HG CYS A 104 8.888 3.427 -0.008 1.00 0.00 H new ATOM 1613 N CYS A 105 9.602 0.564 0.283 1.00 0.00 N ATOM 1614 CA CYS A 105 8.537 -0.187 -0.364 1.00 0.00 C ATOM 1615 C CYS A 105 7.433 0.756 -0.839 1.00 0.00 C ATOM 1616 O CYS A 105 6.871 1.513 -0.048 1.00 0.00 O ATOM 1617 CB CYS A 105 7.965 -1.221 0.608 1.00 0.00 C ATOM 1618 SG CYS A 105 7.930 -2.907 -0.043 1.00 0.00 S ATOM 0 H CYS A 105 9.500 0.649 1.294 1.00 0.00 H new ATOM 0 HA CYS A 105 8.948 -0.703 -1.231 1.00 0.00 H new ATOM 0 HB2 CYS A 105 8.556 -1.209 1.524 1.00 0.00 H new ATOM 0 HB3 CYS A 105 6.951 -0.927 0.879 1.00 0.00 H new ATOM 0 HG CYS A 105 8.060 -3.753 0.936 1.00 0.00 H new ATOM 1624 N VAL A 106 7.125 0.702 -2.129 1.00 0.00 N ATOM 1625 CA VAL A 106 6.085 1.551 -2.702 1.00 0.00 C ATOM 1626 C VAL A 106 4.853 0.729 -3.068 1.00 0.00 C ATOM 1627 O VAL A 106 4.959 -0.292 -3.745 1.00 0.00 O ATOM 1628 CB VAL A 106 6.578 2.295 -3.965 1.00 0.00 C ATOM 1629 CG1 VAL A 106 7.088 3.682 -3.608 1.00 0.00 C ATOM 1630 CG2 VAL A 106 7.655 1.494 -4.679 1.00 0.00 C ATOM 0 H VAL A 106 7.579 0.081 -2.798 1.00 0.00 H new ATOM 0 HA VAL A 106 5.828 2.286 -1.939 1.00 0.00 H new ATOM 0 HB VAL A 106 5.732 2.407 -4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.430 4.188 -4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.284 4.259 -3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 106 7.917 3.595 -2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 106 7.986 2.037 -5.564 1.00 0.00 H new ATOM 0 HG22 VAL A 106 8.501 1.343 -4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.251 0.526 -4.977 1.00 0.00 H new ATOM 1640 N VAL A 107 3.687 1.188 -2.631 1.00 0.00 N ATOM 1641 CA VAL A 107 2.435 0.501 -2.926 1.00 0.00 C ATOM 1642 C VAL A 107 1.552 1.377 -3.809 1.00 0.00 C ATOM 1643 O VAL A 107 1.362 2.560 -3.531 1.00 0.00 O ATOM 1644 CB VAL A 107 1.680 0.124 -1.626 1.00 0.00 C ATOM 1645 CG1 VAL A 107 0.187 0.414 -1.738 1.00 0.00 C ATOM 1646 CG2 VAL A 107 1.912 -1.339 -1.287 1.00 0.00 C ATOM 0 H VAL A 107 3.582 2.034 -2.071 1.00 0.00 H new ATOM 0 HA VAL A 107 2.673 -0.421 -3.457 1.00 0.00 H new ATOM 0 HB VAL A 107 2.076 0.743 -0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.308 0.137 -0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 107 0.036 1.477 -1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -0.235 -0.164 -2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 107 1.376 -1.590 -0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 107 1.549 -1.964 -2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.978 -1.514 -1.143 1.00 0.00 H new ATOM 1656 N VAL A 108 1.023 0.793 -4.877 1.00 0.00 N ATOM 1657 CA VAL A 108 0.170 1.534 -5.796 1.00 0.00 C ATOM 1658 C VAL A 108 -1.144 0.809 -6.045 1.00 0.00 C ATOM 1659 O VAL A 108 -1.185 -0.208 -6.738 1.00 0.00 O ATOM 1660 CB VAL A 108 0.875 1.783 -7.142 1.00 0.00 C ATOM 1661 CG1 VAL A 108 0.261 2.982 -7.852 1.00 0.00 C ATOM 1662 CG2 VAL A 108 2.367 1.985 -6.935 1.00 0.00 C ATOM 0 H VAL A 108 1.169 -0.185 -5.127 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.039 2.493 -5.322 1.00 0.00 H new ATOM 0 HB VAL A 108 0.735 0.905 -7.772 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.772 3.143 -8.801 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.797 2.793 -8.036 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.368 3.869 -7.227 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.848 2.160 -7.898 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.531 2.845 -6.286 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.794 1.095 -6.472 1.00 0.00 H new ATOM 1672 N LEU A 109 -2.219 1.338 -5.470 1.00 0.00 N ATOM 1673 CA LEU A 109 -3.542 0.748 -5.617 1.00 0.00 C ATOM 1674 C LEU A 109 -4.266 1.325 -6.827 1.00 0.00 C ATOM 1675 O LEU A 109 -4.499 2.532 -6.908 1.00 0.00 O ATOM 1676 CB LEU A 109 -4.348 1.000 -4.352 1.00 0.00 C ATOM 1677 CG LEU A 109 -3.509 1.020 -3.078 1.00 0.00 C ATOM 1678 CD1 LEU A 109 -4.122 1.946 -2.043 1.00 0.00 C ATOM 1679 CD2 LEU A 109 -3.360 -0.389 -2.530 1.00 0.00 C ATOM 0 H LEU A 109 -2.198 2.180 -4.894 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.433 -0.325 -5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.868 1.953 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.112 0.228 -4.260 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.517 1.403 -3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.507 1.944 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.174 2.958 -2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.126 1.602 -1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.760 -0.364 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.345 -0.797 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.868 -1.018 -3.272 1.00 0.00 H new ATOM 1691 N GLU A 110 -4.618 0.456 -7.765 1.00 0.00 N ATOM 1692 CA GLU A 110 -5.313 0.874 -8.976 1.00 0.00 C ATOM 1693 C GLU A 110 -6.650 0.150 -9.110 1.00 0.00 C ATOM 1694 O GLU A 110 -6.688 -1.073 -9.257 1.00 0.00 O ATOM 1695 CB GLU A 110 -4.448 0.600 -10.206 1.00 0.00 C ATOM 1696 CG GLU A 110 -4.652 1.602 -11.331 1.00 0.00 C ATOM 1697 CD GLU A 110 -4.812 0.938 -12.685 1.00 0.00 C ATOM 1698 OE1 GLU A 110 -4.001 0.045 -13.007 1.00 0.00 O ATOM 1699 OE2 GLU A 110 -5.748 1.311 -13.423 1.00 0.00 O ATOM 0 H GLU A 110 -4.433 -0.546 -7.711 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.503 1.945 -8.906 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.399 0.607 -9.911 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.667 -0.401 -10.578 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.536 2.204 -11.120 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.802 2.284 -11.363 1.00 0.00 H new ATOM 1706 N PRO A 111 -7.772 0.893 -9.067 1.00 0.00 N ATOM 1707 CA PRO A 111 -9.109 0.304 -9.189 1.00 0.00 C ATOM 1708 C PRO A 111 -9.252 -0.517 -10.467 1.00 0.00 C ATOM 1709 O PRO A 111 -8.929 -0.044 -11.554 1.00 0.00 O ATOM 1710 CB PRO A 111 -10.040 1.521 -9.229 1.00 0.00 C ATOM 1711 CG PRO A 111 -9.270 2.615 -8.573 1.00 0.00 C ATOM 1712 CD PRO A 111 -7.826 2.358 -8.900 1.00 0.00 C ATOM 0 HA PRO A 111 -9.330 -0.384 -8.373 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.304 1.783 -10.254 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -10.973 1.323 -8.701 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -9.586 3.591 -8.942 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -9.432 2.614 -7.495 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.520 2.878 -9.808 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -7.166 2.697 -8.101 1.00 0.00 H new ATOM 1720 N VAL A 112 -9.734 -1.751 -10.331 1.00 0.00 N ATOM 1721 CA VAL A 112 -9.910 -2.625 -11.485 1.00 0.00 C ATOM 1722 C VAL A 112 -11.088 -2.178 -12.344 1.00 0.00 C ATOM 1723 O VAL A 112 -12.017 -1.535 -11.854 1.00 0.00 O ATOM 1724 CB VAL A 112 -10.122 -4.090 -11.059 1.00 0.00 C ATOM 1725 CG1 VAL A 112 -8.960 -4.574 -10.206 1.00 0.00 C ATOM 1726 CG2 VAL A 112 -11.439 -4.247 -10.316 1.00 0.00 C ATOM 0 H VAL A 112 -10.007 -2.164 -9.439 1.00 0.00 H new ATOM 0 HA VAL A 112 -8.993 -2.557 -12.071 1.00 0.00 H new ATOM 0 HB VAL A 112 -10.163 -4.705 -11.958 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -9.129 -5.611 -9.915 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.035 -4.504 -10.778 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.882 -3.955 -9.312 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -11.570 -5.289 -10.024 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.432 -3.619 -9.425 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -12.261 -3.946 -10.965 1.00 0.00 H new