USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 755 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 69 SER OG : rot 83:sc= 0.161 USER MOD Set 1.2: A 71 ASN : amide:sc= -1.09! K(o=-0.92!,f=-2.8) USER MOD Set 2.1: A 47 TYR OH : rot 149:sc= 0.936 USER MOD Set 2.2: A 101 TYR OH : rot -127:sc= 0.593 USER MOD Set 3.1: A 21 ASN : amide:sc= 0.651 K(o=1.6,f=-6.4!) USER MOD Set 3.2: A 23 THR OG1 : rot 93:sc= 0.911 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -4.16! C(o=-4.2!,f=-3!) USER MOD Single : A 18 SER OG : rot 71:sc= 1.25 USER MOD Single : A 19 GLN : amide:sc= 0.0241 X(o=0.024,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= -0.175 (180deg=-0.23) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 108:sc= 1.4 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 56:sc= 0.00162 USER MOD Single : A 55 MET CE :methyl -143:sc= 0 (180deg=-0.523) USER MOD Single : A 59 LYS NZ :NH3+ -178:sc= 0.914 (180deg=0.832) USER MOD Single : A 62 SER OG : rot 78:sc= 2.17 USER MOD Single : A 67 LYS NZ :NH3+ 174:sc= 1.16 (180deg=1.1) USER MOD Single : A 68 MET CE :methyl -142:sc= -0.0892 (180deg=-0.643) USER MOD Single : A 70 LYS NZ :NH3+ 166:sc= 0.972 (180deg=0.174) USER MOD Single : A 76 SER OG : rot 11:sc= 0.309 USER MOD Single : A 78 SER OG : rot 180:sc= 0.935 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0922 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.0478 K(o=-0.048,f=-1.2!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 88:sc= 0.229 USER MOD Single : A 96 LYS NZ :NH3+ 173:sc= 1.15 (180deg=0.903) USER MOD Single : A 100 LYS NZ :NH3+ -167:sc= -0.0431 (180deg=-0.235) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N LEU A 9 -12.926 3.152 7.164 1.00 0.00 N ATOM 136 CA LEU A 9 -12.454 1.831 7.337 1.00 0.00 C ATOM 137 C LEU A 9 -13.295 0.897 6.540 1.00 0.00 C ATOM 138 O LEU A 9 -14.481 0.680 6.827 1.00 0.00 O ATOM 139 CB LEU A 9 -12.384 1.434 8.843 1.00 0.00 C ATOM 140 CG LEU A 9 -11.863 -0.002 9.233 1.00 0.00 C ATOM 141 CD1 LEU A 9 -12.872 -1.098 8.921 1.00 0.00 C ATOM 142 CD2 LEU A 9 -10.556 -0.317 8.527 1.00 0.00 C ATOM 0 HA LEU A 9 -11.430 1.768 6.968 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.748 2.162 9.346 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.385 1.545 9.259 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.707 0.018 10.312 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.460 -2.065 9.210 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -13.792 -0.915 9.477 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.088 -1.100 7.853 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.219 -1.313 8.813 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.707 -0.281 7.448 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.802 0.417 8.812 1.00 0.00 H new ATOM 154 N GLU A 10 -12.709 0.404 5.527 1.00 0.00 N ATOM 155 CA GLU A 10 -13.276 -0.597 4.737 1.00 0.00 C ATOM 156 C GLU A 10 -12.220 -1.644 4.546 1.00 0.00 C ATOM 157 O GLU A 10 -11.033 -1.312 4.361 1.00 0.00 O ATOM 158 CB GLU A 10 -13.739 -0.055 3.387 1.00 0.00 C ATOM 159 CG GLU A 10 -14.356 -1.125 2.522 1.00 0.00 C ATOM 160 CD GLU A 10 -14.791 -0.636 1.167 1.00 0.00 C ATOM 161 OE1 GLU A 10 -15.941 -0.214 1.027 1.00 0.00 O ATOM 162 OE2 GLU A 10 -14.004 -0.719 0.212 1.00 0.00 O ATOM 0 H GLU A 10 -11.784 0.701 5.215 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.160 -1.007 5.225 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.465 0.742 3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.890 0.387 2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.637 -1.934 2.392 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.218 -1.545 3.040 1.00 0.00 H new ATOM 169 N GLU A 11 -12.595 -2.875 4.664 1.00 0.00 N ATOM 170 CA GLU A 11 -11.720 -3.906 4.443 1.00 0.00 C ATOM 171 C GLU A 11 -11.610 -4.219 2.994 1.00 0.00 C ATOM 172 O GLU A 11 -12.573 -4.640 2.335 1.00 0.00 O ATOM 173 CB GLU A 11 -12.103 -5.112 5.217 1.00 0.00 C ATOM 174 CG GLU A 11 -11.220 -6.281 4.919 1.00 0.00 C ATOM 175 CD GLU A 11 -11.536 -7.438 5.801 1.00 0.00 C ATOM 176 OE1 GLU A 11 -11.045 -7.474 6.958 1.00 0.00 O ATOM 177 OE2 GLU A 11 -12.306 -8.318 5.375 1.00 0.00 O ATOM 0 H GLU A 11 -13.538 -3.165 4.922 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.739 -3.583 4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.057 -4.887 6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.137 -5.373 4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.340 -6.573 3.876 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.177 -5.994 5.052 1.00 0.00 H new ATOM 184 N PHE A 12 -10.470 -3.988 2.513 1.00 0.00 N ATOM 185 CA PHE A 12 -10.110 -4.309 1.213 1.00 0.00 C ATOM 186 C PHE A 12 -9.347 -5.573 1.214 1.00 0.00 C ATOM 187 O PHE A 12 -8.497 -5.761 2.039 1.00 0.00 O ATOM 188 CB PHE A 12 -9.188 -3.268 0.689 1.00 0.00 C ATOM 189 CG PHE A 12 -9.803 -1.967 0.273 1.00 0.00 C ATOM 190 CD1 PHE A 12 -10.247 -1.781 -1.024 1.00 0.00 C ATOM 191 CD2 PHE A 12 -9.923 -0.918 1.174 1.00 0.00 C ATOM 192 CE1 PHE A 12 -10.804 -0.576 -1.415 1.00 0.00 C ATOM 193 CE2 PHE A 12 -10.479 0.285 0.790 1.00 0.00 C ATOM 194 CZ PHE A 12 -10.917 0.457 -0.507 1.00 0.00 C ATOM 0 H PHE A 12 -9.721 -3.545 3.046 1.00 0.00 H new ATOM 0 HA PHE A 12 -11.014 -4.387 0.610 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.440 -3.061 1.454 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.659 -3.683 -0.169 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.158 -2.585 -1.739 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.577 -1.045 2.189 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.150 -0.444 -2.430 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.571 1.091 1.503 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.348 1.399 -0.811 1.00 0.00 H new ATOM 204 N THR A 13 -9.641 -6.441 0.329 1.00 0.00 N ATOM 205 CA THR A 13 -8.806 -7.570 0.180 1.00 0.00 C ATOM 206 C THR A 13 -7.828 -7.239 -0.958 1.00 0.00 C ATOM 207 O THR A 13 -8.205 -6.524 -1.873 1.00 0.00 O ATOM 208 CB THR A 13 -9.624 -8.810 -0.118 1.00 0.00 C ATOM 209 OG1 THR A 13 -10.682 -8.918 0.851 1.00 0.00 O ATOM 210 CG2 THR A 13 -8.758 -10.024 -0.009 1.00 0.00 C ATOM 0 H THR A 13 -10.444 -6.397 -0.299 1.00 0.00 H new ATOM 0 HA THR A 13 -8.260 -7.787 1.098 1.00 0.00 H new ATOM 0 HB THR A 13 -10.034 -8.737 -1.125 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.217 -9.717 0.664 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.350 -10.914 -0.224 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.939 -9.952 -0.724 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.353 -10.093 1.001 1.00 0.00 H new ATOM 218 N ALA A 14 -6.598 -7.724 -0.889 1.00 0.00 N ATOM 219 CA ALA A 14 -5.536 -7.327 -1.839 1.00 0.00 C ATOM 220 C ALA A 14 -5.901 -7.535 -3.305 1.00 0.00 C ATOM 221 O ALA A 14 -5.638 -6.655 -4.135 1.00 0.00 O ATOM 222 CB ALA A 14 -4.200 -7.958 -1.498 1.00 0.00 C ATOM 0 H ALA A 14 -6.296 -8.398 -0.185 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.436 -6.249 -1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.451 -7.638 -2.222 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.895 -7.647 -0.499 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.292 -9.044 -1.527 1.00 0.00 H new ATOM 228 N GLU A 15 -6.521 -8.667 -3.627 1.00 0.00 N ATOM 229 CA GLU A 15 -6.964 -8.921 -5.010 1.00 0.00 C ATOM 230 C GLU A 15 -7.977 -7.865 -5.453 1.00 0.00 C ATOM 231 O GLU A 15 -7.988 -7.430 -6.606 1.00 0.00 O ATOM 232 CB GLU A 15 -7.559 -10.320 -5.154 1.00 0.00 C ATOM 233 CG GLU A 15 -6.579 -11.439 -4.866 1.00 0.00 C ATOM 234 CD GLU A 15 -5.365 -11.384 -5.759 1.00 0.00 C ATOM 235 OE1 GLU A 15 -5.397 -11.972 -6.854 1.00 0.00 O ATOM 236 OE2 GLU A 15 -4.355 -10.760 -5.372 1.00 0.00 O ATOM 0 H GLU A 15 -6.729 -9.417 -2.967 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.088 -8.859 -5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.410 -10.413 -4.479 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.942 -10.438 -6.168 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.263 -11.383 -3.824 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.079 -12.399 -4.996 1.00 0.00 H new ATOM 243 N GLN A 16 -8.792 -7.440 -4.514 1.00 0.00 N ATOM 244 CA GLN A 16 -9.797 -6.421 -4.743 1.00 0.00 C ATOM 245 C GLN A 16 -9.160 -5.027 -4.810 1.00 0.00 C ATOM 246 O GLN A 16 -9.574 -4.178 -5.601 1.00 0.00 O ATOM 247 CB GLN A 16 -10.897 -6.471 -3.648 1.00 0.00 C ATOM 248 CG GLN A 16 -11.899 -7.635 -3.759 1.00 0.00 C ATOM 249 CD GLN A 16 -11.301 -9.028 -3.638 1.00 0.00 C ATOM 250 OE1 GLN A 16 -10.882 -9.623 -4.626 1.00 0.00 O ATOM 251 NE2 GLN A 16 -11.301 -9.568 -2.458 1.00 0.00 N ATOM 0 H GLN A 16 -8.777 -7.795 -3.558 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.267 -6.625 -5.705 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.411 -6.526 -2.674 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.453 -5.534 -3.675 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.656 -7.515 -2.984 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.411 -7.560 -4.718 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.657 -9.045 -1.658 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.945 -10.515 -2.331 1.00 0.00 H new ATOM 260 N LEU A 17 -8.138 -4.819 -3.988 1.00 0.00 N ATOM 261 CA LEU A 17 -7.424 -3.543 -3.899 1.00 0.00 C ATOM 262 C LEU A 17 -6.625 -3.260 -5.163 1.00 0.00 C ATOM 263 O LEU A 17 -6.430 -2.107 -5.526 1.00 0.00 O ATOM 264 CB LEU A 17 -6.457 -3.541 -2.709 1.00 0.00 C ATOM 265 CG LEU A 17 -5.676 -2.232 -2.498 1.00 0.00 C ATOM 266 CD1 LEU A 17 -6.588 -1.116 -2.059 1.00 0.00 C ATOM 267 CD2 LEU A 17 -4.538 -2.412 -1.528 1.00 0.00 C ATOM 0 H LEU A 17 -7.776 -5.535 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.180 -2.769 -3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.022 -3.758 -1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.743 -4.354 -2.841 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.245 -1.955 -3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.006 -0.205 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.349 -0.947 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.069 -1.388 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.011 -1.466 -1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.930 -2.737 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.849 -3.164 -1.911 1.00 0.00 H new ATOM 279 N SER A 18 -6.211 -4.322 -5.853 1.00 0.00 N ATOM 280 CA SER A 18 -5.344 -4.230 -7.045 1.00 0.00 C ATOM 281 C SER A 18 -6.007 -3.497 -8.247 1.00 0.00 C ATOM 282 O SER A 18 -5.462 -3.462 -9.344 1.00 0.00 O ATOM 283 CB SER A 18 -4.878 -5.633 -7.452 1.00 0.00 C ATOM 284 OG SER A 18 -4.168 -6.267 -6.382 1.00 0.00 O ATOM 0 H SER A 18 -6.464 -5.279 -5.606 1.00 0.00 H new ATOM 0 HA SER A 18 -4.486 -3.618 -6.766 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.739 -6.240 -7.732 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.236 -5.567 -8.330 1.00 0.00 H new ATOM 0 HG SER A 18 -4.795 -6.500 -5.666 1.00 0.00 H new ATOM 290 N GLN A 19 -7.155 -2.907 -8.019 1.00 0.00 N ATOM 291 CA GLN A 19 -7.854 -2.145 -9.036 1.00 0.00 C ATOM 292 C GLN A 19 -7.705 -0.661 -8.733 1.00 0.00 C ATOM 293 O GLN A 19 -7.796 0.194 -9.618 1.00 0.00 O ATOM 294 CB GLN A 19 -9.329 -2.514 -9.044 1.00 0.00 C ATOM 295 CG GLN A 19 -9.590 -3.976 -9.315 1.00 0.00 C ATOM 296 CD GLN A 19 -11.055 -4.308 -9.326 1.00 0.00 C ATOM 297 OE1 GLN A 19 -11.706 -4.249 -10.358 1.00 0.00 O ATOM 298 NE2 GLN A 19 -11.587 -4.651 -8.182 1.00 0.00 N ATOM 0 H GLN A 19 -7.636 -2.939 -7.120 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.428 -2.371 -10.013 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.765 -2.249 -8.081 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.839 -1.917 -9.800 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.152 -4.248 -10.276 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.090 -4.578 -8.556 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.010 -4.689 -7.342 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.579 -4.881 -8.130 1.00 0.00 H new ATOM 307 N TYR A 20 -7.415 -0.377 -7.479 1.00 0.00 N ATOM 308 CA TYR A 20 -7.323 0.976 -6.954 1.00 0.00 C ATOM 309 C TYR A 20 -5.938 1.558 -7.130 1.00 0.00 C ATOM 310 O TYR A 20 -5.557 2.501 -6.457 1.00 0.00 O ATOM 311 CB TYR A 20 -7.768 0.992 -5.488 1.00 0.00 C ATOM 312 CG TYR A 20 -9.241 0.696 -5.339 1.00 0.00 C ATOM 313 CD1 TYR A 20 -9.712 -0.605 -5.212 1.00 0.00 C ATOM 314 CD2 TYR A 20 -10.167 1.726 -5.359 1.00 0.00 C ATOM 315 CE1 TYR A 20 -11.065 -0.863 -5.114 1.00 0.00 C ATOM 316 CE2 TYR A 20 -11.510 1.481 -5.251 1.00 0.00 C ATOM 317 CZ TYR A 20 -11.957 0.189 -5.132 1.00 0.00 C ATOM 318 OH TYR A 20 -13.305 -0.051 -5.052 1.00 0.00 O ATOM 0 H TYR A 20 -7.232 -1.095 -6.778 1.00 0.00 H new ATOM 0 HA TYR A 20 -7.994 1.616 -7.527 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -7.192 0.256 -4.927 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -7.549 1.967 -5.054 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -9.010 -1.426 -5.190 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -9.822 2.744 -5.462 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -11.421 -1.879 -5.024 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -12.214 2.300 -5.259 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.791 0.800 -5.077 1.00 0.00 H new ATOM 328 N ASN A 21 -5.204 1.008 -8.082 1.00 0.00 N ATOM 329 CA ASN A 21 -3.896 1.534 -8.422 1.00 0.00 C ATOM 330 C ASN A 21 -4.063 2.755 -9.320 1.00 0.00 C ATOM 331 O ASN A 21 -3.132 3.499 -9.556 1.00 0.00 O ATOM 332 CB ASN A 21 -2.991 0.482 -9.100 1.00 0.00 C ATOM 333 CG ASN A 21 -3.550 -0.028 -10.406 1.00 0.00 C ATOM 334 OD1 ASN A 21 -3.338 0.566 -11.445 1.00 0.00 O ATOM 335 ND2 ASN A 21 -4.227 -1.147 -10.373 1.00 0.00 N ATOM 0 H ASN A 21 -5.492 0.199 -8.632 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.399 1.818 -7.495 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.008 0.918 -9.278 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.849 -0.358 -8.420 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.595 -1.546 -11.237 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.387 -1.620 -9.484 1.00 0.00 H new ATOM 342 N GLY A 22 -5.265 2.920 -9.852 1.00 0.00 N ATOM 343 CA GLY A 22 -5.586 4.102 -10.602 1.00 0.00 C ATOM 344 C GLY A 22 -5.603 3.880 -12.071 1.00 0.00 C ATOM 345 O GLY A 22 -5.978 4.762 -12.828 1.00 0.00 O ATOM 0 H GLY A 22 -6.026 2.245 -9.773 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.562 4.470 -10.286 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.860 4.881 -10.368 1.00 0.00 H new ATOM 349 N THR A 23 -5.217 2.722 -12.487 1.00 0.00 N ATOM 350 CA THR A 23 -5.190 2.416 -13.881 1.00 0.00 C ATOM 351 C THR A 23 -6.545 1.834 -14.356 1.00 0.00 C ATOM 352 O THR A 23 -7.045 2.206 -15.414 1.00 0.00 O ATOM 353 CB THR A 23 -4.053 1.435 -14.171 1.00 0.00 C ATOM 354 OG1 THR A 23 -2.801 1.986 -13.691 1.00 0.00 O ATOM 355 CG2 THR A 23 -3.949 1.135 -15.644 1.00 0.00 C ATOM 0 H THR A 23 -4.913 1.963 -11.877 1.00 0.00 H new ATOM 0 HA THR A 23 -5.017 3.339 -14.434 1.00 0.00 H new ATOM 0 HB THR A 23 -4.268 0.501 -13.652 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.634 1.672 -12.778 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.131 0.435 -15.816 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.883 0.695 -15.992 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.757 2.058 -16.191 1.00 0.00 H new ATOM 363 N ASP A 24 -7.141 0.951 -13.558 1.00 0.00 N ATOM 364 CA ASP A 24 -8.414 0.282 -13.933 1.00 0.00 C ATOM 365 C ASP A 24 -9.538 1.303 -13.952 1.00 0.00 C ATOM 366 O ASP A 24 -10.025 1.664 -12.914 1.00 0.00 O ATOM 367 CB ASP A 24 -8.781 -0.780 -12.891 1.00 0.00 C ATOM 368 CG ASP A 24 -9.795 -1.792 -13.395 1.00 0.00 C ATOM 369 OD1 ASP A 24 -10.991 -1.470 -13.487 1.00 0.00 O ATOM 370 OD2 ASP A 24 -9.392 -2.945 -13.688 1.00 0.00 O ATOM 0 H ASP A 24 -6.775 0.673 -12.647 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.283 -0.176 -14.913 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.877 -1.305 -12.583 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.180 -0.287 -12.005 1.00 0.00 H new ATOM 375 N GLU A 25 -9.880 1.836 -15.130 1.00 0.00 N ATOM 376 CA GLU A 25 -10.973 2.841 -15.284 1.00 0.00 C ATOM 377 C GLU A 25 -10.656 4.122 -14.499 1.00 0.00 C ATOM 378 O GLU A 25 -11.516 4.998 -14.337 1.00 0.00 O ATOM 379 CB GLU A 25 -12.336 2.276 -14.824 1.00 0.00 C ATOM 380 CG GLU A 25 -12.776 1.019 -15.548 1.00 0.00 C ATOM 381 CD GLU A 25 -14.133 0.525 -15.095 1.00 0.00 C ATOM 382 OE1 GLU A 25 -14.217 -0.172 -14.054 1.00 0.00 O ATOM 383 OE2 GLU A 25 -15.142 0.802 -15.794 1.00 0.00 O ATOM 0 H GLU A 25 -9.419 1.594 -16.007 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.039 3.079 -16.346 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.285 2.065 -13.756 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.097 3.044 -14.961 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.805 1.214 -16.620 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.037 0.235 -15.387 1.00 0.00 H new ATOM 390 N SER A 26 -9.412 4.219 -14.051 1.00 0.00 N ATOM 391 CA SER A 26 -8.935 5.296 -13.231 1.00 0.00 C ATOM 392 C SER A 26 -9.765 5.391 -11.918 1.00 0.00 C ATOM 393 O SER A 26 -10.493 6.362 -11.685 1.00 0.00 O ATOM 394 CB SER A 26 -8.915 6.620 -14.031 1.00 0.00 C ATOM 395 OG SER A 26 -8.333 7.690 -13.297 1.00 0.00 O ATOM 0 H SER A 26 -8.695 3.524 -14.261 1.00 0.00 H new ATOM 0 HA SER A 26 -7.905 5.095 -12.935 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.358 6.473 -14.957 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.934 6.887 -14.311 1.00 0.00 H new ATOM 0 HG SER A 26 -8.341 8.504 -13.843 1.00 0.00 H new ATOM 401 N LYS A 27 -9.696 4.333 -11.102 1.00 0.00 N ATOM 402 CA LYS A 27 -10.415 4.293 -9.810 1.00 0.00 C ATOM 403 C LYS A 27 -9.660 5.129 -8.766 1.00 0.00 C ATOM 404 O LYS A 27 -8.527 5.564 -9.037 1.00 0.00 O ATOM 405 CB LYS A 27 -10.546 2.836 -9.288 1.00 0.00 C ATOM 406 CG LYS A 27 -11.080 1.867 -10.300 1.00 0.00 C ATOM 407 CD LYS A 27 -11.556 0.572 -9.695 1.00 0.00 C ATOM 408 CE LYS A 27 -12.068 -0.346 -10.792 1.00 0.00 C ATOM 409 NZ LYS A 27 -13.105 0.310 -11.628 1.00 0.00 N ATOM 0 H LYS A 27 -9.154 3.493 -11.306 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.413 4.702 -9.969 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.567 2.492 -8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.200 2.832 -8.416 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.905 2.333 -10.838 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.302 1.653 -11.033 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.741 0.090 -9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.347 0.766 -8.971 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.235 -0.655 -11.424 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.481 -1.250 -10.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.329 -0.297 -12.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.964 0.460 -11.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.749 1.227 -11.967 1.00 0.00 H new ATOM 423 N PRO A 28 -10.282 5.414 -7.577 1.00 0.00 N ATOM 424 CA PRO A 28 -9.592 6.084 -6.463 1.00 0.00 C ATOM 425 C PRO A 28 -8.327 5.317 -6.090 1.00 0.00 C ATOM 426 O PRO A 28 -8.267 4.098 -6.250 1.00 0.00 O ATOM 427 CB PRO A 28 -10.607 6.031 -5.327 1.00 0.00 C ATOM 428 CG PRO A 28 -11.920 5.969 -6.011 1.00 0.00 C ATOM 429 CD PRO A 28 -11.698 5.140 -7.240 1.00 0.00 C ATOM 0 HA PRO A 28 -9.279 7.101 -6.701 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.448 5.160 -4.692 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.533 6.910 -4.687 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.676 5.520 -5.367 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.274 6.967 -6.270 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.869 4.081 -7.048 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.369 5.430 -8.049 1.00 0.00 H new ATOM 437 N ILE A 29 -7.344 6.011 -5.597 1.00 0.00 N ATOM 438 CA ILE A 29 -6.050 5.415 -5.416 1.00 0.00 C ATOM 439 C ILE A 29 -5.786 5.156 -3.922 1.00 0.00 C ATOM 440 O ILE A 29 -5.864 6.086 -3.090 1.00 0.00 O ATOM 441 CB ILE A 29 -4.895 6.300 -6.036 1.00 0.00 C ATOM 442 CG1 ILE A 29 -5.170 6.730 -7.502 1.00 0.00 C ATOM 443 CG2 ILE A 29 -3.610 5.531 -6.031 1.00 0.00 C ATOM 444 CD1 ILE A 29 -6.214 7.807 -7.698 1.00 0.00 C ATOM 0 H ILE A 29 -7.411 6.988 -5.313 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.051 4.465 -5.950 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.839 7.196 -5.418 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.234 7.077 -7.938 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.477 5.849 -8.066 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.817 6.144 -6.459 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.350 5.264 -5.007 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.727 4.624 -6.624 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.319 8.023 -8.761 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.170 7.464 -7.302 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.907 8.711 -7.173 1.00 0.00 H new ATOM 456 N TYR A 30 -5.472 3.907 -3.583 1.00 0.00 N ATOM 457 CA TYR A 30 -5.266 3.501 -2.191 1.00 0.00 C ATOM 458 C TYR A 30 -4.008 2.634 -2.025 1.00 0.00 C ATOM 459 O TYR A 30 -3.876 1.593 -2.657 1.00 0.00 O ATOM 460 CB TYR A 30 -6.488 2.724 -1.679 1.00 0.00 C ATOM 461 CG TYR A 30 -7.770 3.522 -1.580 1.00 0.00 C ATOM 462 CD1 TYR A 30 -7.957 4.434 -0.553 1.00 0.00 C ATOM 463 CD2 TYR A 30 -8.792 3.362 -2.504 1.00 0.00 C ATOM 464 CE1 TYR A 30 -9.119 5.163 -0.449 1.00 0.00 C ATOM 465 CE2 TYR A 30 -9.961 4.092 -2.406 1.00 0.00 C ATOM 466 CZ TYR A 30 -10.117 4.990 -1.374 1.00 0.00 C ATOM 467 OH TYR A 30 -11.278 5.729 -1.273 1.00 0.00 O ATOM 0 H TYR A 30 -5.354 3.152 -4.258 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.131 4.411 -1.607 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.659 1.874 -2.339 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -6.254 2.321 -0.694 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.176 4.575 0.179 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.672 2.656 -3.312 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.245 5.869 0.358 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.747 3.959 -3.134 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.883 5.489 -2.005 1.00 0.00 H new ATOM 477 N VAL A 31 -3.144 3.025 -1.096 1.00 0.00 N ATOM 478 CA VAL A 31 -1.856 2.343 -0.871 1.00 0.00 C ATOM 479 C VAL A 31 -1.875 1.670 0.468 1.00 0.00 C ATOM 480 O VAL A 31 -2.398 2.219 1.423 1.00 0.00 O ATOM 481 CB VAL A 31 -0.676 3.362 -0.888 1.00 0.00 C ATOM 482 CG1 VAL A 31 0.666 2.691 -0.615 1.00 0.00 C ATOM 483 CG2 VAL A 31 -0.616 4.039 -2.203 1.00 0.00 C ATOM 0 H VAL A 31 -3.306 3.818 -0.476 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.715 1.614 -1.669 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.862 4.085 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.458 3.439 -0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.642 2.216 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.858 1.937 -1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.210 4.750 -2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.463 3.298 -2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.552 4.569 -2.383 1.00 0.00 H new ATOM 493 N ALA A 32 -1.306 0.496 0.549 1.00 0.00 N ATOM 494 CA ALA A 32 -1.303 -0.218 1.780 1.00 0.00 C ATOM 495 C ALA A 32 0.098 -0.525 2.262 1.00 0.00 C ATOM 496 O ALA A 32 0.983 -0.895 1.476 1.00 0.00 O ATOM 497 CB ALA A 32 -2.122 -1.465 1.665 1.00 0.00 C ATOM 0 H ALA A 32 -0.842 0.022 -0.226 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.757 0.427 2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.108 -1.998 2.616 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.149 -1.204 1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.706 -2.103 0.885 1.00 0.00 H new ATOM 503 N ILE A 33 0.294 -0.326 3.545 1.00 0.00 N ATOM 504 CA ILE A 33 1.539 -0.612 4.231 1.00 0.00 C ATOM 505 C ILE A 33 1.174 -1.345 5.515 1.00 0.00 C ATOM 506 O ILE A 33 0.498 -0.773 6.371 1.00 0.00 O ATOM 507 CB ILE A 33 2.281 0.713 4.590 1.00 0.00 C ATOM 508 CG1 ILE A 33 2.526 1.555 3.341 1.00 0.00 C ATOM 509 CG2 ILE A 33 3.596 0.449 5.314 1.00 0.00 C ATOM 510 CD1 ILE A 33 3.248 2.846 3.618 1.00 0.00 C ATOM 0 H ILE A 33 -0.427 0.050 4.160 1.00 0.00 H new ATOM 0 HA ILE A 33 2.196 -1.208 3.598 1.00 0.00 H new ATOM 0 HB ILE A 33 1.633 1.269 5.268 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.105 0.970 2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.569 1.777 2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.081 1.397 5.546 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.400 -0.094 6.239 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.250 -0.146 4.676 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.388 3.392 2.685 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.660 3.451 4.308 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.220 2.631 4.062 1.00 0.00 H new ATOM 522 N LYS A 34 1.564 -2.621 5.623 1.00 0.00 N ATOM 523 CA LYS A 34 1.199 -3.479 6.772 1.00 0.00 C ATOM 524 C LYS A 34 -0.308 -3.648 6.895 1.00 0.00 C ATOM 525 O LYS A 34 -0.832 -3.986 7.967 1.00 0.00 O ATOM 526 CB LYS A 34 1.810 -2.976 8.090 1.00 0.00 C ATOM 527 CG LYS A 34 3.241 -3.405 8.342 1.00 0.00 C ATOM 528 CD LYS A 34 3.327 -4.919 8.538 1.00 0.00 C ATOM 529 CE LYS A 34 4.736 -5.353 8.897 1.00 0.00 C ATOM 530 NZ LYS A 34 4.840 -6.819 9.099 1.00 0.00 N ATOM 0 H LYS A 34 2.138 -3.092 4.924 1.00 0.00 H new ATOM 0 HA LYS A 34 1.627 -4.462 6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.767 -1.887 8.100 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.191 -3.327 8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.868 -3.106 7.502 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.628 -2.897 9.225 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.639 -5.225 9.326 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.011 -5.424 7.625 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.420 -5.048 8.105 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.051 -4.840 9.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.820 -7.067 9.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.208 -7.109 9.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.565 -7.310 8.224 1.00 0.00 H new ATOM 544 N GLY A 35 -0.994 -3.482 5.790 1.00 0.00 N ATOM 545 CA GLY A 35 -2.415 -3.591 5.796 1.00 0.00 C ATOM 546 C GLY A 35 -3.095 -2.257 6.004 1.00 0.00 C ATOM 547 O GLY A 35 -4.313 -2.176 5.989 1.00 0.00 O ATOM 0 H GLY A 35 -0.583 -3.271 4.881 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.748 -4.022 4.852 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.721 -4.278 6.585 1.00 0.00 H new ATOM 551 N ARG A 36 -2.318 -1.213 6.209 1.00 0.00 N ATOM 552 CA ARG A 36 -2.871 0.113 6.414 1.00 0.00 C ATOM 553 C ARG A 36 -3.071 0.786 5.085 1.00 0.00 C ATOM 554 O ARG A 36 -2.108 1.133 4.417 1.00 0.00 O ATOM 555 CB ARG A 36 -1.959 0.962 7.312 1.00 0.00 C ATOM 556 CG ARG A 36 -1.749 0.365 8.683 1.00 0.00 C ATOM 557 CD ARG A 36 -0.822 1.198 9.556 1.00 0.00 C ATOM 558 NE ARG A 36 -1.359 2.531 9.875 1.00 0.00 N ATOM 559 CZ ARG A 36 -1.775 2.896 11.101 1.00 0.00 C ATOM 560 NH1 ARG A 36 -1.923 1.976 12.054 1.00 0.00 N ATOM 561 NH2 ARG A 36 -2.068 4.167 11.358 1.00 0.00 N ATOM 0 H ARG A 36 -1.299 -1.256 6.238 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.833 0.014 6.918 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.992 1.084 6.824 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.390 1.957 7.419 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.713 0.262 9.181 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.336 -0.638 8.578 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.629 0.660 10.485 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.136 1.312 9.049 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.419 3.217 9.123 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.721 0.997 11.853 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.238 2.251 12.984 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.978 4.870 10.624 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.383 4.440 12.289 1.00 0.00 H new ATOM 575 N VAL A 37 -4.309 0.932 4.695 1.00 0.00 N ATOM 576 CA VAL A 37 -4.647 1.561 3.443 1.00 0.00 C ATOM 577 C VAL A 37 -4.808 3.057 3.603 1.00 0.00 C ATOM 578 O VAL A 37 -5.695 3.529 4.309 1.00 0.00 O ATOM 579 CB VAL A 37 -5.907 0.929 2.790 1.00 0.00 C ATOM 580 CG1 VAL A 37 -6.369 1.761 1.625 1.00 0.00 C ATOM 581 CG2 VAL A 37 -5.571 -0.447 2.281 1.00 0.00 C ATOM 0 H VAL A 37 -5.114 0.618 5.236 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.812 1.383 2.765 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.696 0.879 3.541 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.252 1.304 1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.615 2.765 1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.575 1.817 0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.455 -0.891 1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.775 -0.376 1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.240 -1.071 3.111 1.00 0.00 H new ATOM 591 N PHE A 38 -3.942 3.778 2.955 1.00 0.00 N ATOM 592 CA PHE A 38 -3.943 5.213 2.978 1.00 0.00 C ATOM 593 C PHE A 38 -4.513 5.712 1.676 1.00 0.00 C ATOM 594 O PHE A 38 -4.294 5.096 0.621 1.00 0.00 O ATOM 595 CB PHE A 38 -2.519 5.745 3.101 1.00 0.00 C ATOM 596 CG PHE A 38 -1.743 5.194 4.252 1.00 0.00 C ATOM 597 CD1 PHE A 38 -1.919 5.685 5.525 1.00 0.00 C ATOM 598 CD2 PHE A 38 -0.829 4.177 4.052 1.00 0.00 C ATOM 599 CE1 PHE A 38 -1.201 5.172 6.580 1.00 0.00 C ATOM 600 CE2 PHE A 38 -0.109 3.662 5.101 1.00 0.00 C ATOM 601 CZ PHE A 38 -0.293 4.157 6.366 1.00 0.00 C ATOM 0 H PHE A 38 -3.199 3.378 2.383 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.534 5.553 3.828 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.982 5.523 2.179 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.558 6.830 3.193 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.628 6.481 5.698 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.679 3.782 3.058 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.348 5.564 7.575 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.602 2.867 4.930 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.272 3.753 7.193 1.00 0.00 H new ATOM 611 N ASP A 39 -5.234 6.797 1.727 1.00 0.00 N ATOM 612 CA ASP A 39 -5.775 7.382 0.517 1.00 0.00 C ATOM 613 C ASP A 39 -4.748 8.303 -0.104 1.00 0.00 C ATOM 614 O ASP A 39 -4.275 9.245 0.536 1.00 0.00 O ATOM 615 CB ASP A 39 -7.069 8.159 0.789 1.00 0.00 C ATOM 616 CG ASP A 39 -7.655 8.774 -0.480 1.00 0.00 C ATOM 617 OD1 ASP A 39 -7.256 9.884 -0.859 1.00 0.00 O ATOM 618 OD2 ASP A 39 -8.532 8.155 -1.108 1.00 0.00 O ATOM 0 H ASP A 39 -5.464 7.297 2.586 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.013 6.570 -0.170 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.803 7.491 1.239 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.870 8.948 1.514 1.00 0.00 H new ATOM 623 N VAL A 40 -4.395 8.024 -1.329 1.00 0.00 N ATOM 624 CA VAL A 40 -3.451 8.848 -2.070 1.00 0.00 C ATOM 625 C VAL A 40 -4.104 9.385 -3.326 1.00 0.00 C ATOM 626 O VAL A 40 -3.423 9.765 -4.284 1.00 0.00 O ATOM 627 CB VAL A 40 -2.161 8.073 -2.456 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.302 7.793 -1.250 1.00 0.00 C ATOM 629 CG2 VAL A 40 -2.501 6.776 -3.125 1.00 0.00 C ATOM 0 H VAL A 40 -4.748 7.222 -1.851 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.163 9.668 -1.413 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.603 8.706 -3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.409 7.250 -1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.012 8.734 -0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.864 7.192 -0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.583 6.250 -3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.091 6.160 -2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.077 6.973 -4.029 1.00 0.00 H new ATOM 639 N THR A 41 -5.422 9.471 -3.293 1.00 0.00 N ATOM 640 CA THR A 41 -6.195 9.920 -4.427 1.00 0.00 C ATOM 641 C THR A 41 -5.862 11.393 -4.808 1.00 0.00 C ATOM 642 O THR A 41 -5.999 11.789 -5.972 1.00 0.00 O ATOM 643 CB THR A 41 -7.724 9.729 -4.175 1.00 0.00 C ATOM 644 OG1 THR A 41 -7.984 8.344 -3.851 1.00 0.00 O ATOM 645 CG2 THR A 41 -8.533 10.083 -5.417 1.00 0.00 C ATOM 0 H THR A 41 -5.983 9.230 -2.476 1.00 0.00 H new ATOM 0 HA THR A 41 -5.916 9.299 -5.278 1.00 0.00 H new ATOM 0 HB THR A 41 -8.016 10.386 -3.356 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.207 8.267 -2.900 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.594 9.941 -5.213 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.351 11.124 -5.685 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.233 9.438 -6.243 1.00 0.00 H new ATOM 653 N THR A 42 -5.401 12.189 -3.840 1.00 0.00 N ATOM 654 CA THR A 42 -5.024 13.573 -4.116 1.00 0.00 C ATOM 655 C THR A 42 -3.674 13.642 -4.833 1.00 0.00 C ATOM 656 O THR A 42 -3.366 14.618 -5.526 1.00 0.00 O ATOM 657 CB THR A 42 -4.975 14.428 -2.830 1.00 0.00 C ATOM 658 OG1 THR A 42 -4.064 13.838 -1.881 1.00 0.00 O ATOM 659 CG2 THR A 42 -6.361 14.556 -2.213 1.00 0.00 C ATOM 0 H THR A 42 -5.281 11.901 -2.869 1.00 0.00 H new ATOM 0 HA THR A 42 -5.796 13.984 -4.767 1.00 0.00 H new ATOM 0 HB THR A 42 -4.623 15.426 -3.092 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.037 14.386 -1.069 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.302 15.162 -1.309 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.034 15.032 -2.926 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.740 13.565 -1.962 1.00 0.00 H new ATOM 667 N GLY A 43 -2.884 12.601 -4.668 1.00 0.00 N ATOM 668 CA GLY A 43 -1.585 12.537 -5.282 1.00 0.00 C ATOM 669 C GLY A 43 -1.586 11.557 -6.418 1.00 0.00 C ATOM 670 O GLY A 43 -0.633 10.800 -6.605 1.00 0.00 O ATOM 0 H GLY A 43 -3.127 11.784 -4.108 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.300 13.524 -5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.841 12.243 -4.542 1.00 0.00 H new ATOM 674 N LYS A 44 -2.665 11.573 -7.186 1.00 0.00 N ATOM 675 CA LYS A 44 -2.869 10.687 -8.286 1.00 0.00 C ATOM 676 C LYS A 44 -1.710 10.744 -9.286 1.00 0.00 C ATOM 677 O LYS A 44 -1.296 9.724 -9.807 1.00 0.00 O ATOM 678 CB LYS A 44 -4.153 11.069 -8.965 1.00 0.00 C ATOM 679 CG LYS A 44 -4.584 10.119 -10.031 1.00 0.00 C ATOM 680 CD LYS A 44 -5.831 10.593 -10.720 1.00 0.00 C ATOM 681 CE LYS A 44 -6.994 10.829 -9.762 1.00 0.00 C ATOM 682 NZ LYS A 44 -8.214 11.242 -10.482 1.00 0.00 N ATOM 0 H LYS A 44 -3.435 12.227 -7.044 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.919 9.665 -7.912 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.941 11.139 -8.215 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.039 12.061 -9.402 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.784 10.004 -10.763 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.760 9.136 -9.594 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.614 11.519 -11.253 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.128 9.857 -11.467 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.194 9.917 -9.199 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.720 11.597 -9.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.985 11.394 -9.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.030 12.125 -10.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.489 10.498 -11.155 1.00 0.00 H new ATOM 696 N SER A 45 -1.178 11.925 -9.513 1.00 0.00 N ATOM 697 CA SER A 45 -0.080 12.110 -10.448 1.00 0.00 C ATOM 698 C SER A 45 1.221 11.411 -9.976 1.00 0.00 C ATOM 699 O SER A 45 2.161 11.237 -10.755 1.00 0.00 O ATOM 700 CB SER A 45 0.148 13.589 -10.669 1.00 0.00 C ATOM 701 OG SER A 45 -1.031 14.207 -11.172 1.00 0.00 O ATOM 0 H SER A 45 -1.490 12.783 -9.059 1.00 0.00 H new ATOM 0 HA SER A 45 -0.356 11.639 -11.392 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.441 14.061 -9.732 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.969 13.735 -11.370 1.00 0.00 H new ATOM 0 HG SER A 45 -0.867 15.164 -11.308 1.00 0.00 H new ATOM 707 N PHE A 46 1.267 11.031 -8.708 1.00 0.00 N ATOM 708 CA PHE A 46 2.404 10.306 -8.170 1.00 0.00 C ATOM 709 C PHE A 46 2.099 8.821 -8.124 1.00 0.00 C ATOM 710 O PHE A 46 2.958 7.985 -8.399 1.00 0.00 O ATOM 711 CB PHE A 46 2.745 10.768 -6.748 1.00 0.00 C ATOM 712 CG PHE A 46 3.191 12.189 -6.617 1.00 0.00 C ATOM 713 CD1 PHE A 46 2.277 13.202 -6.384 1.00 0.00 C ATOM 714 CD2 PHE A 46 4.534 12.510 -6.706 1.00 0.00 C ATOM 715 CE1 PHE A 46 2.697 14.506 -6.244 1.00 0.00 C ATOM 716 CE2 PHE A 46 4.958 13.811 -6.570 1.00 0.00 C ATOM 717 CZ PHE A 46 4.040 14.809 -6.338 1.00 0.00 C ATOM 0 H PHE A 46 0.526 11.214 -8.031 1.00 0.00 H new ATOM 0 HA PHE A 46 3.253 10.505 -8.824 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.867 10.623 -6.118 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.530 10.122 -6.355 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.225 12.968 -6.311 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.258 11.729 -6.885 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.977 15.290 -6.061 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.009 14.049 -6.645 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.371 15.831 -6.229 1.00 0.00 H new ATOM 727 N TYR A 47 0.881 8.493 -7.752 1.00 0.00 N ATOM 728 CA TYR A 47 0.506 7.118 -7.593 1.00 0.00 C ATOM 729 C TYR A 47 -0.302 6.565 -8.778 1.00 0.00 C ATOM 730 O TYR A 47 0.205 5.776 -9.560 1.00 0.00 O ATOM 731 CB TYR A 47 -0.257 6.947 -6.273 1.00 0.00 C ATOM 732 CG TYR A 47 0.539 7.406 -5.070 1.00 0.00 C ATOM 733 CD1 TYR A 47 0.523 8.736 -4.677 1.00 0.00 C ATOM 734 CD2 TYR A 47 1.320 6.525 -4.348 1.00 0.00 C ATOM 735 CE1 TYR A 47 1.256 9.176 -3.608 1.00 0.00 C ATOM 736 CE2 TYR A 47 2.065 6.959 -3.271 1.00 0.00 C ATOM 737 CZ TYR A 47 2.027 8.290 -2.906 1.00 0.00 C ATOM 738 OH TYR A 47 2.773 8.739 -1.839 1.00 0.00 O ATOM 0 H TYR A 47 0.139 9.164 -7.556 1.00 0.00 H new ATOM 0 HA TYR A 47 1.424 6.530 -7.567 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.189 7.510 -6.322 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.525 5.898 -6.147 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.082 9.441 -5.227 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.348 5.483 -4.630 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.226 10.217 -3.320 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.675 6.261 -2.716 1.00 0.00 H new ATOM 0 HH TYR A 47 2.848 8.027 -1.169 1.00 0.00 H new ATOM 748 N GLY A 48 -1.527 7.017 -8.928 1.00 0.00 N ATOM 749 CA GLY A 48 -2.438 6.410 -9.889 1.00 0.00 C ATOM 750 C GLY A 48 -2.180 6.705 -11.344 1.00 0.00 C ATOM 751 O GLY A 48 -2.687 5.993 -12.216 1.00 0.00 O ATOM 0 H GLY A 48 -1.920 7.798 -8.403 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.409 5.329 -9.750 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.451 6.735 -9.650 1.00 0.00 H new ATOM 755 N SER A 49 -1.438 7.723 -11.644 1.00 0.00 N ATOM 756 CA SER A 49 -1.243 8.069 -13.013 1.00 0.00 C ATOM 757 C SER A 49 0.210 8.284 -13.350 1.00 0.00 C ATOM 758 O SER A 49 0.749 9.373 -13.154 1.00 0.00 O ATOM 759 CB SER A 49 -2.089 9.283 -13.385 1.00 0.00 C ATOM 760 OG SER A 49 -3.475 9.027 -13.133 1.00 0.00 O ATOM 0 H SER A 49 -0.963 8.322 -10.968 1.00 0.00 H new ATOM 0 HA SER A 49 -1.575 7.222 -13.613 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.763 10.150 -12.810 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.944 9.526 -14.438 1.00 0.00 H new ATOM 0 HG SER A 49 -4.003 9.816 -13.376 1.00 0.00 H new ATOM 766 N GLY A 50 0.844 7.204 -13.777 1.00 0.00 N ATOM 767 CA GLY A 50 2.211 7.240 -14.288 1.00 0.00 C ATOM 768 C GLY A 50 3.210 7.897 -13.368 1.00 0.00 C ATOM 769 O GLY A 50 4.050 8.693 -13.813 1.00 0.00 O ATOM 0 H GLY A 50 0.427 6.273 -13.780 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.537 6.219 -14.487 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.214 7.767 -15.242 1.00 0.00 H new ATOM 773 N GLY A 51 3.121 7.601 -12.110 1.00 0.00 N ATOM 774 CA GLY A 51 4.054 8.150 -11.183 1.00 0.00 C ATOM 775 C GLY A 51 5.121 7.140 -10.850 1.00 0.00 C ATOM 776 O GLY A 51 5.058 5.999 -11.319 1.00 0.00 O ATOM 0 H GLY A 51 2.416 6.986 -11.704 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.511 9.045 -11.605 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.536 8.454 -10.273 1.00 0.00 H new ATOM 780 N ASP A 52 6.095 7.524 -10.053 1.00 0.00 N ATOM 781 CA ASP A 52 7.136 6.574 -9.620 1.00 0.00 C ATOM 782 C ASP A 52 6.559 5.659 -8.561 1.00 0.00 C ATOM 783 O ASP A 52 6.957 4.506 -8.405 1.00 0.00 O ATOM 784 CB ASP A 52 8.375 7.301 -9.074 1.00 0.00 C ATOM 785 CG ASP A 52 9.451 6.338 -8.584 1.00 0.00 C ATOM 786 OD1 ASP A 52 10.083 5.647 -9.426 1.00 0.00 O ATOM 787 OD2 ASP A 52 9.670 6.230 -7.360 1.00 0.00 O ATOM 0 H ASP A 52 6.201 8.470 -9.688 1.00 0.00 H new ATOM 0 HA ASP A 52 7.455 5.992 -10.484 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.791 7.938 -9.854 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.077 7.954 -8.254 1.00 0.00 H new ATOM 792 N TYR A 53 5.560 6.173 -7.888 1.00 0.00 N ATOM 793 CA TYR A 53 4.882 5.477 -6.827 1.00 0.00 C ATOM 794 C TYR A 53 3.675 4.708 -7.392 1.00 0.00 C ATOM 795 O TYR A 53 2.826 4.229 -6.645 1.00 0.00 O ATOM 796 CB TYR A 53 4.381 6.488 -5.790 1.00 0.00 C ATOM 797 CG TYR A 53 5.447 7.340 -5.124 1.00 0.00 C ATOM 798 CD1 TYR A 53 5.903 8.516 -5.715 1.00 0.00 C ATOM 799 CD2 TYR A 53 5.977 6.981 -3.895 1.00 0.00 C ATOM 800 CE1 TYR A 53 6.857 9.303 -5.097 1.00 0.00 C ATOM 801 CE2 TYR A 53 6.933 7.761 -3.271 1.00 0.00 C ATOM 802 CZ TYR A 53 7.369 8.919 -3.874 1.00 0.00 C ATOM 803 OH TYR A 53 8.318 9.710 -3.249 1.00 0.00 O ATOM 0 H TYR A 53 5.189 7.106 -8.067 1.00 0.00 H new ATOM 0 HA TYR A 53 5.577 4.778 -6.362 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.664 7.151 -6.275 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.840 5.946 -5.014 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.505 8.818 -6.672 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.637 6.075 -3.416 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.199 10.212 -5.568 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.336 7.463 -2.314 1.00 0.00 H new ATOM 0 HH TYR A 53 8.575 9.301 -2.396 1.00 0.00 H new ATOM 813 N SER A 54 3.635 4.558 -8.709 1.00 0.00 N ATOM 814 CA SER A 54 2.499 3.948 -9.395 1.00 0.00 C ATOM 815 C SER A 54 2.333 2.459 -9.046 1.00 0.00 C ATOM 816 O SER A 54 1.259 1.894 -9.208 1.00 0.00 O ATOM 817 CB SER A 54 2.634 4.145 -10.919 1.00 0.00 C ATOM 818 OG SER A 54 1.475 3.716 -11.621 1.00 0.00 O ATOM 0 H SER A 54 4.386 4.854 -9.333 1.00 0.00 H new ATOM 0 HA SER A 54 1.597 4.451 -9.048 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.817 5.198 -11.133 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.501 3.591 -11.280 1.00 0.00 H new ATOM 0 HG SER A 54 0.688 4.184 -11.271 1.00 0.00 H new ATOM 824 N MET A 55 3.384 1.848 -8.540 1.00 0.00 N ATOM 825 CA MET A 55 3.351 0.415 -8.213 1.00 0.00 C ATOM 826 C MET A 55 2.795 0.218 -6.825 1.00 0.00 C ATOM 827 O MET A 55 2.370 -0.860 -6.454 1.00 0.00 O ATOM 828 CB MET A 55 4.755 -0.170 -8.257 1.00 0.00 C ATOM 829 CG MET A 55 5.524 0.183 -9.497 1.00 0.00 C ATOM 830 SD MET A 55 4.660 -0.229 -11.014 1.00 0.00 S ATOM 831 CE MET A 55 5.884 0.287 -12.211 1.00 0.00 C ATOM 0 H MET A 55 4.273 2.308 -8.343 1.00 0.00 H new ATOM 0 HA MET A 55 2.720 -0.088 -8.945 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.310 0.178 -7.386 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.688 -1.255 -8.180 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.740 1.251 -9.490 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.482 -0.336 -9.481 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.385 0.726 -13.075 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.545 1.027 -11.760 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.469 -0.576 -12.529 1.00 0.00 H new ATOM 841 N PHE A 56 2.806 1.279 -6.074 1.00 0.00 N ATOM 842 CA PHE A 56 2.380 1.266 -4.694 1.00 0.00 C ATOM 843 C PHE A 56 0.929 1.711 -4.632 1.00 0.00 C ATOM 844 O PHE A 56 0.221 1.431 -3.686 1.00 0.00 O ATOM 845 CB PHE A 56 3.261 2.260 -3.899 1.00 0.00 C ATOM 846 CG PHE A 56 4.761 2.027 -4.046 1.00 0.00 C ATOM 847 CD1 PHE A 56 5.442 2.486 -5.161 1.00 0.00 C ATOM 848 CD2 PHE A 56 5.473 1.351 -3.083 1.00 0.00 C ATOM 849 CE1 PHE A 56 6.793 2.275 -5.308 1.00 0.00 C ATOM 850 CE2 PHE A 56 6.829 1.132 -3.221 1.00 0.00 C ATOM 851 CZ PHE A 56 7.490 1.595 -4.334 1.00 0.00 C ATOM 0 H PHE A 56 3.115 2.194 -6.402 1.00 0.00 H new ATOM 0 HA PHE A 56 2.477 0.267 -4.269 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.029 3.274 -4.225 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.997 2.197 -2.843 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.902 3.020 -5.929 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.963 0.985 -2.204 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.306 2.642 -6.185 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.370 0.597 -2.455 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.551 1.426 -4.444 1.00 0.00 H new ATOM 861 N ALA A 57 0.512 2.353 -5.717 1.00 0.00 N ATOM 862 CA ALA A 57 -0.777 3.030 -5.876 1.00 0.00 C ATOM 863 C ALA A 57 -2.008 2.231 -5.439 1.00 0.00 C ATOM 864 O ALA A 57 -2.924 2.799 -4.899 1.00 0.00 O ATOM 865 CB ALA A 57 -0.927 3.469 -7.307 1.00 0.00 C ATOM 0 H ALA A 57 1.091 2.421 -6.554 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.748 3.879 -5.193 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.884 3.974 -7.434 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.119 4.153 -7.564 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.887 2.598 -7.961 1.00 0.00 H new ATOM 871 N GLY A 58 -2.028 0.950 -5.692 1.00 0.00 N ATOM 872 CA GLY A 58 -3.177 0.147 -5.306 1.00 0.00 C ATOM 873 C GLY A 58 -2.732 -1.201 -4.914 1.00 0.00 C ATOM 874 O GLY A 58 -3.303 -2.217 -5.311 1.00 0.00 O ATOM 0 H GLY A 58 -1.278 0.438 -6.156 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.703 0.622 -4.478 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.882 0.081 -6.135 1.00 0.00 H new ATOM 878 N LYS A 59 -1.695 -1.219 -4.154 1.00 0.00 N ATOM 879 CA LYS A 59 -1.046 -2.422 -3.791 1.00 0.00 C ATOM 880 C LYS A 59 -0.493 -2.280 -2.395 1.00 0.00 C ATOM 881 O LYS A 59 -0.026 -1.198 -2.025 1.00 0.00 O ATOM 882 CB LYS A 59 0.099 -2.609 -4.798 1.00 0.00 C ATOM 883 CG LYS A 59 0.995 -3.830 -4.650 1.00 0.00 C ATOM 884 CD LYS A 59 0.286 -5.164 -4.815 1.00 0.00 C ATOM 885 CE LYS A 59 -0.561 -5.235 -6.091 1.00 0.00 C ATOM 886 NZ LYS A 59 0.217 -4.941 -7.325 1.00 0.00 N ATOM 0 H LYS A 59 -1.268 -0.380 -3.761 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.723 -3.276 -3.805 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.337 -2.635 -5.797 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.733 -1.723 -4.750 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.796 -3.767 -5.386 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.463 -3.803 -3.666 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.026 -5.964 -4.831 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.354 -5.339 -3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.000 -6.229 -6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.386 -4.528 -6.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.416 -4.971 -8.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.643 -3.995 -7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.968 -5.651 -7.439 1.00 0.00 H new ATOM 900 N ASP A 60 -0.586 -3.326 -1.595 1.00 0.00 N ATOM 901 CA ASP A 60 0.152 -3.317 -0.349 1.00 0.00 C ATOM 902 C ASP A 60 1.571 -3.507 -0.754 1.00 0.00 C ATOM 903 O ASP A 60 1.964 -4.576 -1.228 1.00 0.00 O ATOM 904 CB ASP A 60 -0.261 -4.416 0.625 1.00 0.00 C ATOM 905 CG ASP A 60 0.468 -4.286 1.975 1.00 0.00 C ATOM 906 OD1 ASP A 60 1.695 -4.516 2.025 1.00 0.00 O ATOM 907 OD2 ASP A 60 -0.183 -3.980 3.007 1.00 0.00 O ATOM 0 H ASP A 60 -1.143 -4.162 -1.776 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.037 -2.388 0.188 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.338 -4.372 0.788 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.044 -5.390 0.187 1.00 0.00 H new ATOM 912 N ALA A 61 2.311 -2.481 -0.646 1.00 0.00 N ATOM 913 CA ALA A 61 3.626 -2.469 -1.159 1.00 0.00 C ATOM 914 C ALA A 61 4.654 -2.525 -0.065 1.00 0.00 C ATOM 915 O ALA A 61 5.769 -2.075 -0.257 1.00 0.00 O ATOM 916 CB ALA A 61 3.787 -1.225 -1.982 1.00 0.00 C ATOM 0 H ALA A 61 2.023 -1.613 -0.195 1.00 0.00 H new ATOM 0 HA ALA A 61 3.784 -3.355 -1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.796 -1.188 -2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.064 -1.232 -2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.618 -0.350 -1.355 1.00 0.00 H new ATOM 922 N SER A 62 4.311 -3.147 1.050 1.00 0.00 N ATOM 923 CA SER A 62 5.213 -3.216 2.194 1.00 0.00 C ATOM 924 C SER A 62 6.596 -3.818 1.816 1.00 0.00 C ATOM 925 O SER A 62 7.631 -3.325 2.253 1.00 0.00 O ATOM 926 CB SER A 62 4.567 -3.998 3.332 1.00 0.00 C ATOM 927 OG SER A 62 3.321 -3.428 3.688 1.00 0.00 O ATOM 0 H SER A 62 3.414 -3.613 1.191 1.00 0.00 H new ATOM 0 HA SER A 62 5.396 -2.195 2.530 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.425 -5.036 3.031 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.230 -4.005 4.197 1.00 0.00 H new ATOM 0 HG SER A 62 2.641 -3.694 3.035 1.00 0.00 H new ATOM 933 N ARG A 63 6.611 -4.850 0.976 1.00 0.00 N ATOM 934 CA ARG A 63 7.881 -5.446 0.560 1.00 0.00 C ATOM 935 C ARG A 63 8.587 -4.520 -0.418 1.00 0.00 C ATOM 936 O ARG A 63 9.793 -4.319 -0.338 1.00 0.00 O ATOM 937 CB ARG A 63 7.683 -6.817 -0.100 1.00 0.00 C ATOM 938 CG ARG A 63 8.996 -7.496 -0.479 1.00 0.00 C ATOM 939 CD ARG A 63 8.794 -8.793 -1.244 1.00 0.00 C ATOM 940 NE ARG A 63 8.025 -9.802 -0.495 1.00 0.00 N ATOM 941 CZ ARG A 63 7.832 -11.063 -0.928 1.00 0.00 C ATOM 942 NH1 ARG A 63 8.432 -11.483 -2.042 1.00 0.00 N ATOM 943 NH2 ARG A 63 7.053 -11.902 -0.243 1.00 0.00 N ATOM 0 H ARG A 63 5.779 -5.284 0.577 1.00 0.00 H new ATOM 0 HA ARG A 63 8.486 -5.585 1.456 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.130 -7.464 0.580 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.071 -6.698 -0.994 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.591 -6.812 -1.085 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.568 -7.700 0.426 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.280 -8.577 -2.181 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.768 -9.208 -1.503 1.00 0.00 H new ATOM 0 HE ARG A 63 7.617 -9.531 0.400 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.036 -10.850 -2.566 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.287 -12.438 -2.371 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.598 -11.590 0.615 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.912 -12.855 -0.578 1.00 0.00 H new ATOM 957 N ALA A 64 7.803 -3.910 -1.295 1.00 0.00 N ATOM 958 CA ALA A 64 8.335 -3.034 -2.361 1.00 0.00 C ATOM 959 C ALA A 64 8.988 -1.847 -1.745 1.00 0.00 C ATOM 960 O ALA A 64 9.994 -1.359 -2.220 1.00 0.00 O ATOM 961 CB ALA A 64 7.237 -2.566 -3.287 1.00 0.00 C ATOM 0 H ALA A 64 6.787 -3.999 -1.299 1.00 0.00 H new ATOM 0 HA ALA A 64 9.057 -3.608 -2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.661 -1.924 -4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.762 -3.429 -3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.495 -2.007 -2.718 1.00 0.00 H new ATOM 967 N LEU A 65 8.400 -1.413 -0.676 1.00 0.00 N ATOM 968 CA LEU A 65 8.876 -0.333 0.117 1.00 0.00 C ATOM 969 C LEU A 65 10.260 -0.589 0.695 1.00 0.00 C ATOM 970 O LEU A 65 11.039 0.329 0.860 1.00 0.00 O ATOM 971 CB LEU A 65 7.862 -0.029 1.203 1.00 0.00 C ATOM 972 CG LEU A 65 6.587 0.717 0.782 1.00 0.00 C ATOM 973 CD1 LEU A 65 5.679 0.943 1.964 1.00 0.00 C ATOM 974 CD2 LEU A 65 6.943 2.040 0.187 1.00 0.00 C ATOM 0 H LEU A 65 7.537 -1.823 -0.319 1.00 0.00 H new ATOM 0 HA LEU A 65 8.988 0.539 -0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.566 -0.972 1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.359 0.559 1.974 1.00 0.00 H new ATOM 0 HG LEU A 65 6.067 0.104 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.784 1.473 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.396 -0.018 2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.200 1.537 2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.033 2.563 -0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.481 2.637 0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.575 1.887 -0.688 1.00 0.00 H new ATOM 986 N GLY A 66 10.577 -1.826 0.978 1.00 0.00 N ATOM 987 CA GLY A 66 11.882 -2.110 1.513 1.00 0.00 C ATOM 988 C GLY A 66 12.874 -2.439 0.436 1.00 0.00 C ATOM 989 O GLY A 66 14.079 -2.373 0.647 1.00 0.00 O ATOM 0 H GLY A 66 9.967 -2.634 0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.236 -1.249 2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.814 -2.945 2.210 1.00 0.00 H new ATOM 993 N LYS A 67 12.374 -2.786 -0.725 1.00 0.00 N ATOM 994 CA LYS A 67 13.227 -3.160 -1.833 1.00 0.00 C ATOM 995 C LYS A 67 13.446 -1.982 -2.779 1.00 0.00 C ATOM 996 O LYS A 67 14.341 -2.023 -3.624 1.00 0.00 O ATOM 997 CB LYS A 67 12.584 -4.313 -2.618 1.00 0.00 C ATOM 998 CG LYS A 67 12.204 -5.532 -1.775 1.00 0.00 C ATOM 999 CD LYS A 67 13.392 -6.162 -1.067 1.00 0.00 C ATOM 1000 CE LYS A 67 14.419 -6.674 -2.043 1.00 0.00 C ATOM 1001 NZ LYS A 67 15.522 -7.370 -1.359 1.00 0.00 N ATOM 0 H LYS A 67 11.375 -2.818 -0.930 1.00 0.00 H new ATOM 0 HA LYS A 67 14.189 -3.471 -1.426 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.689 -3.940 -3.115 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.274 -4.631 -3.400 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.462 -5.236 -1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.734 -6.277 -2.416 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.853 -5.427 -0.407 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.047 -6.983 -0.439 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.942 -7.354 -2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.818 -5.841 -2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.155 -7.796 -2.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.056 -6.690 -0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.135 -8.116 -0.747 1.00 0.00 H new ATOM 1015 N MET A 68 12.596 -0.941 -2.641 1.00 0.00 N ATOM 1016 CA MET A 68 12.593 0.236 -3.541 1.00 0.00 C ATOM 1017 C MET A 68 12.327 -0.211 -4.971 1.00 0.00 C ATOM 1018 O MET A 68 12.714 0.439 -5.941 1.00 0.00 O ATOM 1019 CB MET A 68 13.900 1.040 -3.433 1.00 0.00 C ATOM 1020 CG MET A 68 14.079 1.741 -2.107 1.00 0.00 C ATOM 1021 SD MET A 68 12.755 2.924 -1.765 1.00 0.00 S ATOM 1022 CE MET A 68 12.947 4.072 -3.135 1.00 0.00 C ATOM 0 H MET A 68 11.893 -0.892 -1.904 1.00 0.00 H new ATOM 0 HA MET A 68 11.791 0.906 -3.230 1.00 0.00 H new ATOM 0 HB2 MET A 68 14.743 0.368 -3.594 1.00 0.00 H new ATOM 0 HB3 MET A 68 13.926 1.782 -4.231 1.00 0.00 H new ATOM 0 HG2 MET A 68 14.114 0.999 -1.309 1.00 0.00 H new ATOM 0 HG3 MET A 68 15.037 2.261 -2.101 1.00 0.00 H new ATOM 0 HE1 MET A 68 12.764 5.088 -2.786 1.00 0.00 H new ATOM 0 HE2 MET A 68 13.960 4.001 -3.530 1.00 0.00 H new ATOM 0 HE3 MET A 68 12.233 3.824 -3.921 1.00 0.00 H new ATOM 1032 N SER A 69 11.597 -1.289 -5.074 1.00 0.00 N ATOM 1033 CA SER A 69 11.313 -1.916 -6.307 1.00 0.00 C ATOM 1034 C SER A 69 9.986 -1.524 -6.837 1.00 0.00 C ATOM 1035 O SER A 69 9.061 -1.169 -6.098 1.00 0.00 O ATOM 1036 CB SER A 69 11.489 -3.409 -6.219 1.00 0.00 C ATOM 1037 OG SER A 69 11.023 -4.073 -7.368 1.00 0.00 O ATOM 0 H SER A 69 11.178 -1.757 -4.271 1.00 0.00 H new ATOM 0 HA SER A 69 12.043 -1.558 -7.033 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.544 -3.640 -6.072 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.956 -3.784 -5.345 1.00 0.00 H new ATOM 0 HG SER A 69 11.714 -4.050 -8.062 1.00 0.00 H new ATOM 1043 N LYS A 70 9.917 -1.577 -8.122 1.00 0.00 N ATOM 1044 CA LYS A 70 8.843 -1.068 -8.876 1.00 0.00 C ATOM 1045 C LYS A 70 8.324 -2.176 -9.796 1.00 0.00 C ATOM 1046 O LYS A 70 7.425 -1.978 -10.593 1.00 0.00 O ATOM 1047 CB LYS A 70 9.453 0.087 -9.658 1.00 0.00 C ATOM 1048 CG LYS A 70 10.230 1.032 -8.713 1.00 0.00 C ATOM 1049 CD LYS A 70 9.346 1.992 -7.944 1.00 0.00 C ATOM 1050 CE LYS A 70 10.157 2.875 -6.994 1.00 0.00 C ATOM 1051 NZ LYS A 70 11.121 3.748 -7.703 1.00 0.00 N ATOM 0 H LYS A 70 10.647 -1.998 -8.696 1.00 0.00 H new ATOM 0 HA LYS A 70 7.994 -0.732 -8.280 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.123 -0.300 -10.426 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.667 0.642 -10.171 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.801 0.432 -8.004 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.949 1.605 -9.298 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.797 2.621 -8.645 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.607 1.429 -7.374 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.476 3.493 -6.410 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.697 2.242 -6.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.468 4.482 -7.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.922 3.178 -8.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.650 4.198 -8.514 1.00 0.00 H new ATOM 1065 N ASN A 71 8.912 -3.337 -9.661 1.00 0.00 N ATOM 1066 CA ASN A 71 8.509 -4.507 -10.411 1.00 0.00 C ATOM 1067 C ASN A 71 7.686 -5.419 -9.516 1.00 0.00 C ATOM 1068 O ASN A 71 8.052 -5.641 -8.358 1.00 0.00 O ATOM 1069 CB ASN A 71 9.736 -5.248 -11.025 1.00 0.00 C ATOM 1070 CG ASN A 71 10.858 -5.520 -10.028 1.00 0.00 C ATOM 1071 OD1 ASN A 71 11.780 -4.721 -9.886 1.00 0.00 O ATOM 1072 ND2 ASN A 71 10.797 -6.620 -9.339 1.00 0.00 N ATOM 0 H ASN A 71 9.691 -3.502 -9.023 1.00 0.00 H new ATOM 0 HA ASN A 71 7.891 -4.193 -11.252 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.401 -6.195 -11.447 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.132 -4.654 -11.849 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.526 -6.838 -8.660 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.020 -7.266 -9.477 1.00 0.00 H new ATOM 1079 N GLU A 72 6.592 -5.974 -10.058 1.00 0.00 N ATOM 1080 CA GLU A 72 5.639 -6.802 -9.281 1.00 0.00 C ATOM 1081 C GLU A 72 6.298 -7.989 -8.619 1.00 0.00 C ATOM 1082 O GLU A 72 5.781 -8.514 -7.636 1.00 0.00 O ATOM 1083 CB GLU A 72 4.475 -7.297 -10.142 1.00 0.00 C ATOM 1084 CG GLU A 72 3.551 -6.213 -10.642 1.00 0.00 C ATOM 1085 CD GLU A 72 2.983 -5.388 -9.511 1.00 0.00 C ATOM 1086 OE1 GLU A 72 2.247 -5.952 -8.659 1.00 0.00 O ATOM 1087 OE2 GLU A 72 3.288 -4.179 -9.444 1.00 0.00 O ATOM 0 H GLU A 72 6.338 -5.867 -11.040 1.00 0.00 H new ATOM 0 HA GLU A 72 5.257 -6.141 -8.503 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.879 -7.835 -11.000 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.892 -8.013 -9.563 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.093 -5.563 -11.329 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.735 -6.664 -11.207 1.00 0.00 H new ATOM 1094 N GLU A 73 7.431 -8.404 -9.152 1.00 0.00 N ATOM 1095 CA GLU A 73 8.203 -9.499 -8.579 1.00 0.00 C ATOM 1096 C GLU A 73 8.534 -9.201 -7.110 1.00 0.00 C ATOM 1097 O GLU A 73 8.558 -10.107 -6.279 1.00 0.00 O ATOM 1098 CB GLU A 73 9.509 -9.684 -9.334 1.00 0.00 C ATOM 1099 CG GLU A 73 9.369 -9.867 -10.826 1.00 0.00 C ATOM 1100 CD GLU A 73 10.709 -9.977 -11.493 1.00 0.00 C ATOM 1101 OE1 GLU A 73 11.364 -8.939 -11.709 1.00 0.00 O ATOM 1102 OE2 GLU A 73 11.141 -11.105 -11.807 1.00 0.00 O ATOM 0 H GLU A 73 7.844 -7.996 -9.991 1.00 0.00 H new ATOM 0 HA GLU A 73 7.603 -10.406 -8.653 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.143 -8.817 -9.148 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.027 -10.551 -8.925 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.784 -10.764 -11.031 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.819 -9.025 -11.247 1.00 0.00 H new ATOM 1109 N ASP A 74 8.781 -7.927 -6.800 1.00 0.00 N ATOM 1110 CA ASP A 74 9.134 -7.527 -5.442 1.00 0.00 C ATOM 1111 C ASP A 74 8.020 -6.739 -4.778 1.00 0.00 C ATOM 1112 O ASP A 74 8.095 -6.438 -3.582 1.00 0.00 O ATOM 1113 CB ASP A 74 10.442 -6.718 -5.398 1.00 0.00 C ATOM 1114 CG ASP A 74 11.659 -7.498 -5.845 1.00 0.00 C ATOM 1115 OD1 ASP A 74 12.229 -8.250 -5.027 1.00 0.00 O ATOM 1116 OD2 ASP A 74 12.077 -7.362 -7.025 1.00 0.00 O ATOM 0 H ASP A 74 8.743 -7.159 -7.470 1.00 0.00 H new ATOM 0 HA ASP A 74 9.285 -8.452 -4.885 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.334 -5.837 -6.031 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.604 -6.362 -4.381 1.00 0.00 H new ATOM 1121 N VAL A 75 6.991 -6.390 -5.532 1.00 0.00 N ATOM 1122 CA VAL A 75 5.883 -5.667 -4.947 1.00 0.00 C ATOM 1123 C VAL A 75 4.945 -6.668 -4.327 1.00 0.00 C ATOM 1124 O VAL A 75 4.338 -7.498 -5.019 1.00 0.00 O ATOM 1125 CB VAL A 75 5.139 -4.740 -5.930 1.00 0.00 C ATOM 1126 CG1 VAL A 75 4.171 -3.883 -5.178 1.00 0.00 C ATOM 1127 CG2 VAL A 75 6.096 -3.867 -6.694 1.00 0.00 C ATOM 0 H VAL A 75 6.902 -6.591 -6.528 1.00 0.00 H new ATOM 0 HA VAL A 75 6.289 -4.992 -4.193 1.00 0.00 H new ATOM 0 HB VAL A 75 4.605 -5.365 -6.646 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.647 -3.229 -5.875 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.449 -4.516 -4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.710 -3.278 -4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.538 -3.227 -7.377 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.660 -3.248 -5.996 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.784 -4.492 -7.263 1.00 0.00 H new ATOM 1137 N SER A 76 4.823 -6.583 -3.034 1.00 0.00 N ATOM 1138 CA SER A 76 4.207 -7.593 -2.232 1.00 0.00 C ATOM 1139 C SER A 76 3.967 -7.058 -0.814 1.00 0.00 C ATOM 1140 O SER A 76 4.598 -6.071 -0.417 1.00 0.00 O ATOM 1141 CB SER A 76 5.182 -8.762 -2.162 1.00 0.00 C ATOM 1142 OG SER A 76 5.302 -9.460 -3.397 1.00 0.00 O ATOM 0 H SER A 76 5.160 -5.785 -2.496 1.00 0.00 H new ATOM 0 HA SER A 76 3.251 -7.894 -2.660 1.00 0.00 H new ATOM 0 HB2 SER A 76 6.163 -8.393 -1.863 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.853 -9.456 -1.389 1.00 0.00 H new ATOM 0 HG SER A 76 4.858 -8.949 -4.106 1.00 0.00 H new ATOM 1148 N PRO A 77 3.059 -7.690 -0.037 1.00 0.00 N ATOM 1149 CA PRO A 77 2.758 -7.263 1.334 1.00 0.00 C ATOM 1150 C PRO A 77 3.675 -7.881 2.421 1.00 0.00 C ATOM 1151 O PRO A 77 3.825 -7.319 3.513 1.00 0.00 O ATOM 1152 CB PRO A 77 1.324 -7.764 1.527 1.00 0.00 C ATOM 1153 CG PRO A 77 1.222 -8.991 0.684 1.00 0.00 C ATOM 1154 CD PRO A 77 2.199 -8.825 -0.458 1.00 0.00 C ATOM 0 HA PRO A 77 2.906 -6.189 1.447 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.123 -7.988 2.575 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.599 -7.012 1.217 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.459 -9.881 1.268 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.207 -9.117 0.308 1.00 0.00 H new ATOM 0 HD2 PRO A 77 2.784 -9.731 -0.617 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.685 -8.609 -1.394 1.00 0.00 H new ATOM 1162 N SER A 78 4.286 -9.010 2.131 1.00 0.00 N ATOM 1163 CA SER A 78 5.059 -9.730 3.129 1.00 0.00 C ATOM 1164 C SER A 78 6.514 -9.377 3.156 1.00 0.00 C ATOM 1165 O SER A 78 7.128 -9.075 2.122 1.00 0.00 O ATOM 1166 CB SER A 78 4.848 -11.185 2.966 1.00 0.00 C ATOM 1167 OG SER A 78 5.076 -11.582 1.626 1.00 0.00 O ATOM 0 H SER A 78 4.264 -9.452 1.212 1.00 0.00 H new ATOM 0 HA SER A 78 4.687 -9.414 4.104 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.519 -11.730 3.630 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.830 -11.444 3.258 1.00 0.00 H new ATOM 0 HG SER A 78 4.932 -12.548 1.542 1.00 0.00 H new ATOM 1173 N LEU A 79 7.081 -9.449 4.352 1.00 0.00 N ATOM 1174 CA LEU A 79 8.427 -8.980 4.589 1.00 0.00 C ATOM 1175 C LEU A 79 9.315 -10.140 4.977 1.00 0.00 C ATOM 1176 O LEU A 79 10.394 -9.962 5.519 1.00 0.00 O ATOM 1177 CB LEU A 79 8.412 -7.943 5.714 1.00 0.00 C ATOM 1178 CG LEU A 79 7.321 -6.868 5.634 1.00 0.00 C ATOM 1179 CD1 LEU A 79 7.536 -5.767 6.647 1.00 0.00 C ATOM 1180 CD2 LEU A 79 7.150 -6.331 4.228 1.00 0.00 C ATOM 0 H LEU A 79 6.619 -9.833 5.177 1.00 0.00 H new ATOM 0 HA LEU A 79 8.816 -8.524 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.305 -8.469 6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.382 -7.445 5.733 1.00 0.00 H new ATOM 0 HG LEU A 79 6.381 -7.353 5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.741 -5.027 6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.524 -6.190 7.652 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.499 -5.289 6.466 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.367 -5.573 4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.087 -5.888 3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.873 -7.145 3.559 1.00 0.00 H new ATOM 1192 N GLU A 80 8.861 -11.326 4.644 1.00 0.00 N ATOM 1193 CA GLU A 80 9.562 -12.569 4.940 1.00 0.00 C ATOM 1194 C GLU A 80 10.923 -12.668 4.235 1.00 0.00 C ATOM 1195 O GLU A 80 11.764 -13.488 4.596 1.00 0.00 O ATOM 1196 CB GLU A 80 8.665 -13.750 4.594 1.00 0.00 C ATOM 1197 CG GLU A 80 8.088 -13.696 3.189 1.00 0.00 C ATOM 1198 CD GLU A 80 7.199 -14.866 2.891 1.00 0.00 C ATOM 1199 OE1 GLU A 80 6.103 -14.954 3.478 1.00 0.00 O ATOM 1200 OE2 GLU A 80 7.589 -15.721 2.088 1.00 0.00 O ATOM 0 H GLU A 80 7.979 -11.464 4.151 1.00 0.00 H new ATOM 0 HA GLU A 80 9.783 -12.584 6.007 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.236 -14.672 4.706 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.845 -13.793 5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.522 -12.773 3.067 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.903 -13.669 2.465 1.00 0.00 H new ATOM 1207 N GLY A 81 11.129 -11.830 3.242 1.00 0.00 N ATOM 1208 CA GLY A 81 12.388 -11.805 2.548 1.00 0.00 C ATOM 1209 C GLY A 81 13.215 -10.607 2.958 1.00 0.00 C ATOM 1210 O GLY A 81 14.304 -10.378 2.431 1.00 0.00 O ATOM 0 H GLY A 81 10.439 -11.160 2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 81 12.940 -12.721 2.758 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.213 -11.778 1.472 1.00 0.00 H new ATOM 1214 N LEU A 82 12.694 -9.841 3.897 1.00 0.00 N ATOM 1215 CA LEU A 82 13.327 -8.636 4.368 1.00 0.00 C ATOM 1216 C LEU A 82 13.799 -8.766 5.791 1.00 0.00 C ATOM 1217 O LEU A 82 13.003 -8.967 6.712 1.00 0.00 O ATOM 1218 CB LEU A 82 12.389 -7.398 4.253 1.00 0.00 C ATOM 1219 CG LEU A 82 12.185 -6.773 2.857 1.00 0.00 C ATOM 1220 CD1 LEU A 82 11.625 -7.733 1.892 1.00 0.00 C ATOM 1221 CD2 LEU A 82 11.338 -5.522 2.925 1.00 0.00 C ATOM 0 H LEU A 82 11.807 -10.046 4.357 1.00 0.00 H new ATOM 0 HA LEU A 82 14.191 -8.484 3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.410 -7.684 4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.777 -6.622 4.913 1.00 0.00 H new ATOM 0 HG LEU A 82 13.175 -6.491 2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.500 -7.246 0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.303 -8.580 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.657 -8.085 2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 82 11.216 -5.110 1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.360 -5.767 3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.827 -4.786 3.563 1.00 0.00 H new ATOM 1233 N THR A 83 15.082 -8.681 5.968 1.00 0.00 N ATOM 1234 CA THR A 83 15.637 -8.592 7.278 1.00 0.00 C ATOM 1235 C THR A 83 15.676 -7.085 7.635 1.00 0.00 C ATOM 1236 O THR A 83 15.243 -6.256 6.813 1.00 0.00 O ATOM 1237 CB THR A 83 17.050 -9.259 7.349 1.00 0.00 C ATOM 1238 OG1 THR A 83 17.556 -9.227 8.691 1.00 0.00 O ATOM 1239 CG2 THR A 83 18.030 -8.555 6.445 1.00 0.00 C ATOM 0 H THR A 83 15.767 -8.672 5.212 1.00 0.00 H new ATOM 0 HA THR A 83 15.030 -9.136 8.002 1.00 0.00 H new ATOM 0 HB THR A 83 16.938 -10.292 7.021 1.00 0.00 H new ATOM 0 HG1 THR A 83 18.440 -9.650 8.718 1.00 0.00 H new ATOM 0 HG21 THR A 83 19.003 -9.041 6.515 1.00 0.00 H new ATOM 0 HG22 THR A 83 17.674 -8.602 5.416 1.00 0.00 H new ATOM 0 HG23 THR A 83 18.122 -7.512 6.750 1.00 0.00 H new ATOM 1247 N GLU A 84 16.188 -6.731 8.801 1.00 0.00 N ATOM 1248 CA GLU A 84 16.156 -5.345 9.286 1.00 0.00 C ATOM 1249 C GLU A 84 16.725 -4.316 8.282 1.00 0.00 C ATOM 1250 O GLU A 84 16.147 -3.254 8.113 1.00 0.00 O ATOM 1251 CB GLU A 84 16.822 -5.227 10.652 1.00 0.00 C ATOM 1252 CG GLU A 84 16.795 -3.830 11.236 1.00 0.00 C ATOM 1253 CD GLU A 84 17.365 -3.772 12.618 1.00 0.00 C ATOM 1254 OE1 GLU A 84 18.606 -3.689 12.756 1.00 0.00 O ATOM 1255 OE2 GLU A 84 16.576 -3.794 13.591 1.00 0.00 O ATOM 0 H GLU A 84 16.637 -7.385 9.442 1.00 0.00 H new ATOM 0 HA GLU A 84 15.102 -5.089 9.392 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.328 -5.908 11.345 1.00 0.00 H new ATOM 0 HB3 GLU A 84 17.858 -5.554 10.568 1.00 0.00 H new ATOM 0 HG2 GLU A 84 17.357 -3.158 10.587 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.767 -3.468 11.256 1.00 0.00 H new ATOM 1262 N LYS A 85 17.818 -4.656 7.594 1.00 0.00 N ATOM 1263 CA LYS A 85 18.437 -3.733 6.608 1.00 0.00 C ATOM 1264 C LYS A 85 17.401 -3.324 5.529 1.00 0.00 C ATOM 1265 O LYS A 85 17.329 -2.163 5.131 1.00 0.00 O ATOM 1266 CB LYS A 85 19.638 -4.410 5.901 1.00 0.00 C ATOM 1267 CG LYS A 85 19.199 -5.528 4.986 1.00 0.00 C ATOM 1268 CD LYS A 85 20.313 -6.269 4.296 1.00 0.00 C ATOM 1269 CE LYS A 85 21.221 -6.987 5.280 1.00 0.00 C ATOM 1270 NZ LYS A 85 22.257 -7.785 4.598 1.00 0.00 N ATOM 0 H LYS A 85 18.297 -5.551 7.692 1.00 0.00 H new ATOM 0 HA LYS A 85 18.780 -2.852 7.150 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.187 -3.665 5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.325 -4.803 6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.615 -6.242 5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 85 18.535 -5.115 4.227 1.00 0.00 H new ATOM 0 HD2 LYS A 85 19.889 -6.993 3.601 1.00 0.00 H new ATOM 0 HD3 LYS A 85 20.903 -5.568 3.706 1.00 0.00 H new ATOM 0 HE2 LYS A 85 21.698 -6.256 5.932 1.00 0.00 H new ATOM 0 HE3 LYS A 85 20.622 -7.639 5.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 22.854 -8.258 5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.803 -8.500 3.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.846 -7.160 4.011 1.00 0.00 H new ATOM 1284 N GLU A 86 16.593 -4.300 5.096 1.00 0.00 N ATOM 1285 CA GLU A 86 15.652 -4.131 4.070 1.00 0.00 C ATOM 1286 C GLU A 86 14.464 -3.412 4.615 1.00 0.00 C ATOM 1287 O GLU A 86 13.945 -2.465 4.007 1.00 0.00 O ATOM 1288 CB GLU A 86 15.224 -5.496 3.611 1.00 0.00 C ATOM 1289 CG GLU A 86 16.306 -6.390 3.021 1.00 0.00 C ATOM 1290 CD GLU A 86 16.933 -5.840 1.764 1.00 0.00 C ATOM 1291 OE1 GLU A 86 16.328 -5.960 0.693 1.00 0.00 O ATOM 1292 OE2 GLU A 86 18.047 -5.306 1.830 1.00 0.00 O ATOM 0 H GLU A 86 16.605 -5.243 5.485 1.00 0.00 H new ATOM 0 HA GLU A 86 16.080 -3.561 3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.778 -6.016 4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.440 -5.373 2.864 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.085 -6.542 3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.877 -7.368 2.804 1.00 0.00 H new ATOM 1299 N ILE A 87 14.039 -3.856 5.789 1.00 0.00 N ATOM 1300 CA ILE A 87 12.898 -3.298 6.434 1.00 0.00 C ATOM 1301 C ILE A 87 13.101 -1.827 6.706 1.00 0.00 C ATOM 1302 O ILE A 87 12.197 -1.065 6.519 1.00 0.00 O ATOM 1303 CB ILE A 87 12.537 -4.006 7.756 1.00 0.00 C ATOM 1304 CG1 ILE A 87 12.240 -5.481 7.536 1.00 0.00 C ATOM 1305 CG2 ILE A 87 11.325 -3.339 8.356 1.00 0.00 C ATOM 1306 CD1 ILE A 87 11.867 -6.200 8.815 1.00 0.00 C ATOM 0 H ILE A 87 14.486 -4.613 6.306 1.00 0.00 H new ATOM 0 HA ILE A 87 12.068 -3.444 5.743 1.00 0.00 H new ATOM 0 HB ILE A 87 13.390 -3.929 8.430 1.00 0.00 H new ATOM 0 HG12 ILE A 87 11.426 -5.580 6.818 1.00 0.00 H new ATOM 0 HG13 ILE A 87 13.114 -5.961 7.096 1.00 0.00 H new ATOM 0 HG21 ILE A 87 11.063 -3.834 9.291 1.00 0.00 H new ATOM 0 HG22 ILE A 87 11.546 -2.289 8.550 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.489 -3.411 7.661 1.00 0.00 H new ATOM 0 HD11 ILE A 87 11.666 -7.249 8.597 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.690 -6.128 9.526 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.976 -5.741 9.244 1.00 0.00 H new ATOM 1318 N ASN A 88 14.318 -1.438 7.097 1.00 0.00 N ATOM 1319 CA ASN A 88 14.619 -0.018 7.432 1.00 0.00 C ATOM 1320 C ASN A 88 14.166 0.955 6.378 1.00 0.00 C ATOM 1321 O ASN A 88 13.700 2.055 6.690 1.00 0.00 O ATOM 1322 CB ASN A 88 16.092 0.222 7.717 1.00 0.00 C ATOM 1323 CG ASN A 88 16.544 -0.299 9.068 1.00 0.00 C ATOM 1324 OD1 ASN A 88 15.759 -0.371 10.021 1.00 0.00 O ATOM 1325 ND2 ASN A 88 17.798 -0.641 9.175 1.00 0.00 N ATOM 0 H ASN A 88 15.113 -2.070 7.193 1.00 0.00 H new ATOM 0 HA ASN A 88 14.045 0.165 8.340 1.00 0.00 H new ATOM 0 HB2 ASN A 88 16.686 -0.254 6.937 1.00 0.00 H new ATOM 0 HB3 ASN A 88 16.294 1.292 7.664 1.00 0.00 H new ATOM 0 HD21 ASN A 88 18.160 -0.981 10.066 1.00 0.00 H new ATOM 0 HD22 ASN A 88 18.417 -0.569 8.368 1.00 0.00 H new ATOM 1332 N THR A 89 14.283 0.561 5.149 1.00 0.00 N ATOM 1333 CA THR A 89 13.874 1.370 4.054 1.00 0.00 C ATOM 1334 C THR A 89 12.329 1.572 4.062 1.00 0.00 C ATOM 1335 O THR A 89 11.833 2.696 3.978 1.00 0.00 O ATOM 1336 CB THR A 89 14.333 0.686 2.779 1.00 0.00 C ATOM 1337 OG1 THR A 89 15.764 0.557 2.808 1.00 0.00 O ATOM 1338 CG2 THR A 89 13.915 1.451 1.582 1.00 0.00 C ATOM 0 H THR A 89 14.670 -0.343 4.879 1.00 0.00 H new ATOM 0 HA THR A 89 14.321 2.361 4.126 1.00 0.00 H new ATOM 0 HB THR A 89 13.871 -0.300 2.721 1.00 0.00 H new ATOM 0 HG1 THR A 89 16.069 0.114 1.989 1.00 0.00 H new ATOM 0 HG21 THR A 89 14.258 0.937 0.684 1.00 0.00 H new ATOM 0 HG22 THR A 89 12.828 1.530 1.562 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.351 2.449 1.618 1.00 0.00 H new ATOM 1346 N LEU A 90 11.609 0.490 4.237 1.00 0.00 N ATOM 1347 CA LEU A 90 10.150 0.500 4.333 1.00 0.00 C ATOM 1348 C LEU A 90 9.702 1.121 5.648 1.00 0.00 C ATOM 1349 O LEU A 90 8.704 1.805 5.707 1.00 0.00 O ATOM 1350 CB LEU A 90 9.657 -0.930 4.234 1.00 0.00 C ATOM 1351 CG LEU A 90 8.439 -1.311 5.069 1.00 0.00 C ATOM 1352 CD1 LEU A 90 7.132 -0.807 4.505 1.00 0.00 C ATOM 1353 CD2 LEU A 90 8.427 -2.773 5.333 1.00 0.00 C ATOM 0 H LEU A 90 12.016 -0.441 4.319 1.00 0.00 H new ATOM 0 HA LEU A 90 9.732 1.099 3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.427 -1.135 3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 90 10.478 -1.590 4.515 1.00 0.00 H new ATOM 0 HG LEU A 90 8.535 -0.796 6.025 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.312 -1.117 5.153 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.156 0.281 4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.982 -1.221 3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.551 -3.028 5.930 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.391 -3.313 4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.330 -3.052 5.876 1.00 0.00 H new ATOM 1365 N ASN A 91 10.455 0.851 6.675 1.00 0.00 N ATOM 1366 CA ASN A 91 10.234 1.359 8.027 1.00 0.00 C ATOM 1367 C ASN A 91 10.193 2.898 7.981 1.00 0.00 C ATOM 1368 O ASN A 91 9.459 3.561 8.733 1.00 0.00 O ATOM 1369 CB ASN A 91 11.393 0.883 8.898 1.00 0.00 C ATOM 1370 CG ASN A 91 11.153 0.994 10.373 1.00 0.00 C ATOM 1371 OD1 ASN A 91 11.414 2.025 10.990 1.00 0.00 O ATOM 1372 ND2 ASN A 91 10.681 -0.089 10.953 1.00 0.00 N ATOM 0 H ASN A 91 11.275 0.249 6.606 1.00 0.00 H new ATOM 0 HA ASN A 91 9.291 0.997 8.437 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.608 -0.158 8.656 1.00 0.00 H new ATOM 0 HB3 ASN A 91 12.282 1.460 8.644 1.00 0.00 H new ATOM 0 HD21 ASN A 91 10.516 -0.098 11.959 1.00 0.00 H new ATOM 0 HD22 ASN A 91 10.480 -0.920 10.396 1.00 0.00 H new ATOM 1379 N ASP A 92 11.000 3.449 7.091 1.00 0.00 N ATOM 1380 CA ASP A 92 11.003 4.872 6.791 1.00 0.00 C ATOM 1381 C ASP A 92 9.710 5.227 6.057 1.00 0.00 C ATOM 1382 O ASP A 92 8.978 6.130 6.459 1.00 0.00 O ATOM 1383 CB ASP A 92 12.217 5.202 5.913 1.00 0.00 C ATOM 1384 CG ASP A 92 12.296 6.651 5.488 1.00 0.00 C ATOM 1385 OD1 ASP A 92 12.912 7.452 6.203 1.00 0.00 O ATOM 1386 OD2 ASP A 92 11.768 7.003 4.401 1.00 0.00 O ATOM 0 H ASP A 92 11.680 2.915 6.549 1.00 0.00 H new ATOM 0 HA ASP A 92 11.065 5.451 7.713 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.126 4.944 6.457 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.189 4.574 5.022 1.00 0.00 H new ATOM 1391 N TRP A 93 9.425 4.459 5.011 1.00 0.00 N ATOM 1392 CA TRP A 93 8.231 4.619 4.174 1.00 0.00 C ATOM 1393 C TRP A 93 6.916 4.602 4.923 1.00 0.00 C ATOM 1394 O TRP A 93 6.042 5.426 4.633 1.00 0.00 O ATOM 1395 CB TRP A 93 8.211 3.614 3.048 1.00 0.00 C ATOM 1396 CG TRP A 93 9.146 3.928 1.918 1.00 0.00 C ATOM 1397 CD1 TRP A 93 10.201 3.186 1.484 1.00 0.00 C ATOM 1398 CD2 TRP A 93 9.099 5.084 1.077 1.00 0.00 C ATOM 1399 NE1 TRP A 93 10.800 3.795 0.410 1.00 0.00 N ATOM 1400 CE2 TRP A 93 10.142 4.967 0.145 1.00 0.00 C ATOM 1401 CE3 TRP A 93 8.267 6.205 1.020 1.00 0.00 C ATOM 1402 CZ2 TRP A 93 10.375 5.926 -0.829 1.00 0.00 C ATOM 1403 CZ3 TRP A 93 8.501 7.155 0.054 1.00 0.00 C ATOM 1404 CH2 TRP A 93 9.545 7.012 -0.859 1.00 0.00 C ATOM 0 H TRP A 93 10.026 3.691 4.711 1.00 0.00 H new ATOM 0 HA TRP A 93 8.318 5.626 3.765 1.00 0.00 H new ATOM 0 HB2 TRP A 93 8.463 2.632 3.449 1.00 0.00 H new ATOM 0 HB3 TRP A 93 7.196 3.547 2.656 1.00 0.00 H new ATOM 0 HD1 TRP A 93 10.521 2.252 1.922 1.00 0.00 H new ATOM 0 HE1 TRP A 93 11.603 3.435 -0.106 1.00 0.00 H new ATOM 0 HE3 TRP A 93 7.455 6.323 1.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 11.183 5.819 -1.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 7.865 8.027 0.002 1.00 0.00 H new ATOM 0 HH2 TRP A 93 9.701 7.776 -1.606 1.00 0.00 H new ATOM 1415 N GLU A 94 6.768 3.685 5.876 1.00 0.00 N ATOM 1416 CA GLU A 94 5.544 3.582 6.692 1.00 0.00 C ATOM 1417 C GLU A 94 5.200 4.933 7.256 1.00 0.00 C ATOM 1418 O GLU A 94 4.080 5.392 7.182 1.00 0.00 O ATOM 1419 CB GLU A 94 5.767 2.644 7.875 1.00 0.00 C ATOM 1420 CG GLU A 94 6.173 1.236 7.524 1.00 0.00 C ATOM 1421 CD GLU A 94 6.364 0.393 8.763 1.00 0.00 C ATOM 1422 OE1 GLU A 94 7.433 0.473 9.406 1.00 0.00 O ATOM 1423 OE2 GLU A 94 5.428 -0.356 9.130 1.00 0.00 O ATOM 0 H GLU A 94 7.482 2.995 6.109 1.00 0.00 H new ATOM 0 HA GLU A 94 4.745 3.204 6.054 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.535 3.075 8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.849 2.603 8.461 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.412 0.784 6.888 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.099 1.255 6.949 1.00 0.00 H new ATOM 1430 N THR A 95 6.211 5.569 7.733 1.00 0.00 N ATOM 1431 CA THR A 95 6.123 6.829 8.423 1.00 0.00 C ATOM 1432 C THR A 95 5.764 7.971 7.457 1.00 0.00 C ATOM 1433 O THR A 95 5.029 8.895 7.803 1.00 0.00 O ATOM 1434 CB THR A 95 7.492 7.123 9.057 1.00 0.00 C ATOM 1435 OG1 THR A 95 7.909 5.967 9.822 1.00 0.00 O ATOM 1436 CG2 THR A 95 7.412 8.319 9.986 1.00 0.00 C ATOM 0 H THR A 95 7.166 5.220 7.655 1.00 0.00 H new ATOM 0 HA THR A 95 5.341 6.766 9.180 1.00 0.00 H new ATOM 0 HB THR A 95 8.206 7.342 8.263 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.400 5.350 9.241 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.393 8.507 10.422 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.091 9.196 9.424 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.694 8.115 10.781 1.00 0.00 H new ATOM 1444 N LYS A 96 6.241 7.859 6.240 1.00 0.00 N ATOM 1445 CA LYS A 96 6.116 8.910 5.253 1.00 0.00 C ATOM 1446 C LYS A 96 4.716 8.952 4.730 1.00 0.00 C ATOM 1447 O LYS A 96 4.175 10.000 4.428 1.00 0.00 O ATOM 1448 CB LYS A 96 7.127 8.674 4.138 1.00 0.00 C ATOM 1449 CG LYS A 96 8.568 8.688 4.632 1.00 0.00 C ATOM 1450 CD LYS A 96 8.985 10.066 5.114 1.00 0.00 C ATOM 1451 CE LYS A 96 10.421 10.080 5.607 1.00 0.00 C ATOM 1452 NZ LYS A 96 11.376 9.652 4.564 1.00 0.00 N ATOM 0 H LYS A 96 6.731 7.030 5.902 1.00 0.00 H new ATOM 0 HA LYS A 96 6.328 9.878 5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.920 7.715 3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.003 9.441 3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.681 7.969 5.444 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.231 8.368 3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.872 10.785 4.302 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.322 10.386 5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.678 11.085 5.942 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.512 9.423 6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.348 9.790 4.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.225 8.646 4.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.228 10.218 3.704 1.00 0.00 H new ATOM 1466 N PHE A 97 4.139 7.803 4.650 1.00 0.00 N ATOM 1467 CA PHE A 97 2.794 7.660 4.229 1.00 0.00 C ATOM 1468 C PHE A 97 1.823 7.910 5.363 1.00 0.00 C ATOM 1469 O PHE A 97 0.892 8.680 5.220 1.00 0.00 O ATOM 1470 CB PHE A 97 2.577 6.279 3.666 1.00 0.00 C ATOM 1471 CG PHE A 97 3.080 6.065 2.268 1.00 0.00 C ATOM 1472 CD1 PHE A 97 4.415 5.799 2.012 1.00 0.00 C ATOM 1473 CD2 PHE A 97 2.200 6.116 1.207 1.00 0.00 C ATOM 1474 CE1 PHE A 97 4.857 5.590 0.721 1.00 0.00 C ATOM 1475 CE2 PHE A 97 2.634 5.907 -0.078 1.00 0.00 C ATOM 1476 CZ PHE A 97 3.966 5.643 -0.326 1.00 0.00 C ATOM 0 H PHE A 97 4.599 6.922 4.880 1.00 0.00 H new ATOM 0 HA PHE A 97 2.606 8.406 3.457 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.063 5.557 4.323 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.509 6.061 3.687 1.00 0.00 H new ATOM 0 HD1 PHE A 97 5.118 5.755 2.831 1.00 0.00 H new ATOM 0 HD2 PHE A 97 1.156 6.323 1.390 1.00 0.00 H new ATOM 0 HE1 PHE A 97 5.901 5.385 0.533 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.932 5.949 -0.897 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.307 5.479 -1.337 1.00 0.00 H new ATOM 1486 N GLU A 98 2.081 7.293 6.495 1.00 0.00 N ATOM 1487 CA GLU A 98 1.173 7.312 7.642 1.00 0.00 C ATOM 1488 C GLU A 98 0.975 8.753 8.180 1.00 0.00 C ATOM 1489 O GLU A 98 -0.088 9.093 8.702 1.00 0.00 O ATOM 1490 CB GLU A 98 1.758 6.390 8.737 1.00 0.00 C ATOM 1491 CG GLU A 98 0.751 5.633 9.602 1.00 0.00 C ATOM 1492 CD GLU A 98 -0.183 6.512 10.375 1.00 0.00 C ATOM 1493 OE1 GLU A 98 0.271 7.184 11.316 1.00 0.00 O ATOM 1494 OE2 GLU A 98 -1.398 6.509 10.082 1.00 0.00 O ATOM 0 H GLU A 98 2.933 6.756 6.656 1.00 0.00 H new ATOM 0 HA GLU A 98 0.191 6.951 7.336 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.410 5.661 8.256 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.384 6.995 9.393 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.164 4.973 8.963 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.295 4.998 10.301 1.00 0.00 H new ATOM 1501 N ALA A 99 1.972 9.603 7.998 1.00 0.00 N ATOM 1502 CA ALA A 99 1.917 10.938 8.548 1.00 0.00 C ATOM 1503 C ALA A 99 1.492 11.953 7.509 1.00 0.00 C ATOM 1504 O ALA A 99 1.266 13.127 7.825 1.00 0.00 O ATOM 1505 CB ALA A 99 3.265 11.317 9.128 1.00 0.00 C ATOM 0 H ALA A 99 2.822 9.390 7.476 1.00 0.00 H new ATOM 0 HA ALA A 99 1.168 10.942 9.340 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.213 12.325 9.540 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.531 10.615 9.918 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.021 11.284 8.343 1.00 0.00 H new ATOM 1511 N LYS A 100 1.378 11.522 6.277 1.00 0.00 N ATOM 1512 CA LYS A 100 1.049 12.428 5.200 1.00 0.00 C ATOM 1513 C LYS A 100 -0.267 12.083 4.544 1.00 0.00 C ATOM 1514 O LYS A 100 -0.922 12.950 3.949 1.00 0.00 O ATOM 1515 CB LYS A 100 2.175 12.511 4.151 1.00 0.00 C ATOM 1516 CG LYS A 100 3.371 13.402 4.506 1.00 0.00 C ATOM 1517 CD LYS A 100 4.157 12.930 5.704 1.00 0.00 C ATOM 1518 CE LYS A 100 5.268 13.905 6.027 1.00 0.00 C ATOM 1519 NZ LYS A 100 6.253 14.029 4.933 1.00 0.00 N ATOM 0 H LYS A 100 1.508 10.551 5.993 1.00 0.00 H new ATOM 0 HA LYS A 100 0.942 13.413 5.655 1.00 0.00 H new ATOM 0 HB2 LYS A 100 2.544 11.502 3.964 1.00 0.00 H new ATOM 0 HB3 LYS A 100 1.746 12.871 3.216 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.038 13.456 3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.013 14.414 4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.494 12.827 6.563 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.577 11.944 5.505 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.837 14.884 6.235 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.778 13.581 6.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 7.097 14.528 5.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.523 13.081 4.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.833 14.565 4.147 1.00 0.00 H new ATOM 1533 N TYR A 101 -0.651 10.847 4.643 1.00 0.00 N ATOM 1534 CA TYR A 101 -1.874 10.374 4.064 1.00 0.00 C ATOM 1535 C TYR A 101 -2.712 9.731 5.145 1.00 0.00 C ATOM 1536 O TYR A 101 -2.168 9.188 6.112 1.00 0.00 O ATOM 1537 CB TYR A 101 -1.581 9.364 2.953 1.00 0.00 C ATOM 1538 CG TYR A 101 -0.730 9.910 1.832 1.00 0.00 C ATOM 1539 CD1 TYR A 101 -1.270 10.724 0.844 1.00 0.00 C ATOM 1540 CD2 TYR A 101 0.615 9.606 1.765 1.00 0.00 C ATOM 1541 CE1 TYR A 101 -0.481 11.218 -0.180 1.00 0.00 C ATOM 1542 CE2 TYR A 101 1.408 10.091 0.754 1.00 0.00 C ATOM 1543 CZ TYR A 101 0.859 10.896 -0.217 1.00 0.00 C ATOM 1544 OH TYR A 101 1.659 11.380 -1.235 1.00 0.00 O ATOM 0 H TYR A 101 -0.118 10.129 5.134 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.418 11.212 3.628 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.080 8.498 3.387 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -2.526 9.011 2.539 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.320 10.975 0.876 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.053 8.974 2.523 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -0.911 11.850 -0.943 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.458 9.841 0.721 1.00 0.00 H new ATOM 0 HH TYR A 101 2.134 10.636 -1.660 1.00 0.00 H new ATOM 1554 N PRO A 102 -4.035 9.801 5.027 1.00 0.00 N ATOM 1555 CA PRO A 102 -4.930 9.233 6.007 1.00 0.00 C ATOM 1556 C PRO A 102 -5.121 7.735 5.816 1.00 0.00 C ATOM 1557 O PRO A 102 -5.440 7.257 4.709 1.00 0.00 O ATOM 1558 CB PRO A 102 -6.239 9.955 5.727 1.00 0.00 C ATOM 1559 CG PRO A 102 -6.214 10.185 4.265 1.00 0.00 C ATOM 1560 CD PRO A 102 -4.777 10.453 3.920 1.00 0.00 C ATOM 0 HA PRO A 102 -4.554 9.352 7.023 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.098 9.353 6.022 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.303 10.893 6.278 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.591 9.316 3.726 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.847 11.029 3.991 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.510 10.030 2.952 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.568 11.521 3.869 1.00 0.00 H new ATOM 1568 N VAL A 103 -4.917 7.001 6.866 1.00 0.00 N ATOM 1569 CA VAL A 103 -5.181 5.597 6.838 1.00 0.00 C ATOM 1570 C VAL A 103 -6.669 5.394 6.970 1.00 0.00 C ATOM 1571 O VAL A 103 -7.268 5.601 8.033 1.00 0.00 O ATOM 1572 CB VAL A 103 -4.359 4.749 7.890 1.00 0.00 C ATOM 1573 CG1 VAL A 103 -4.599 5.158 9.330 1.00 0.00 C ATOM 1574 CG2 VAL A 103 -4.620 3.269 7.716 1.00 0.00 C ATOM 0 H VAL A 103 -4.567 7.354 7.757 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.831 5.211 5.881 1.00 0.00 H new ATOM 0 HB VAL A 103 -3.311 4.961 7.681 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.001 4.531 9.991 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -4.314 6.202 9.464 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.655 5.036 9.572 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.043 2.709 8.452 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.682 3.068 7.858 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -4.324 2.963 6.713 1.00 0.00 H new ATOM 1584 N VAL A 104 -7.273 5.087 5.879 1.00 0.00 N ATOM 1585 CA VAL A 104 -8.677 4.920 5.849 1.00 0.00 C ATOM 1586 C VAL A 104 -9.082 3.519 6.245 1.00 0.00 C ATOM 1587 O VAL A 104 -9.797 3.341 7.222 1.00 0.00 O ATOM 1588 CB VAL A 104 -9.332 5.381 4.501 1.00 0.00 C ATOM 1589 CG1 VAL A 104 -9.210 6.891 4.350 1.00 0.00 C ATOM 1590 CG2 VAL A 104 -8.681 4.705 3.299 1.00 0.00 C ATOM 0 H VAL A 104 -6.806 4.945 4.983 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.079 5.595 6.604 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.382 5.092 4.532 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -9.668 7.201 3.411 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.717 7.382 5.180 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -8.157 7.173 4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -9.162 5.050 2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.621 4.957 3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.794 3.624 3.384 1.00 0.00 H new ATOM 1600 N GLY A 105 -8.580 2.530 5.556 1.00 0.00 N ATOM 1601 CA GLY A 105 -9.011 1.201 5.835 1.00 0.00 C ATOM 1602 C GLY A 105 -7.894 0.214 5.894 1.00 0.00 C ATOM 1603 O GLY A 105 -6.745 0.563 6.209 1.00 0.00 O ATOM 0 H GLY A 105 -7.887 2.622 4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.544 1.192 6.786 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -9.721 0.889 5.069 1.00 0.00 H new ATOM 1607 N ARG A 106 -8.203 -1.011 5.585 1.00 0.00 N ATOM 1608 CA ARG A 106 -7.227 -2.065 5.644 1.00 0.00 C ATOM 1609 C ARG A 106 -7.193 -2.813 4.380 1.00 0.00 C ATOM 1610 O ARG A 106 -8.122 -2.737 3.580 1.00 0.00 O ATOM 1611 CB ARG A 106 -7.554 -3.108 6.709 1.00 0.00 C ATOM 1612 CG ARG A 106 -8.894 -3.750 6.534 1.00 0.00 C ATOM 1613 CD ARG A 106 -9.008 -4.996 7.362 1.00 0.00 C ATOM 1614 NE ARG A 106 -8.807 -4.783 8.791 1.00 0.00 N ATOM 1615 CZ ARG A 106 -9.346 -5.553 9.742 1.00 0.00 C ATOM 1616 NH1 ARG A 106 -10.140 -6.572 9.414 1.00 0.00 N ATOM 1617 NH2 ARG A 106 -9.088 -5.306 11.012 1.00 0.00 N ATOM 0 H ARG A 106 -9.132 -1.309 5.287 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.283 -1.567 5.865 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.786 -3.882 6.694 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.513 -2.636 7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.677 -3.047 6.819 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -9.050 -3.993 5.483 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.994 -5.434 7.206 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.277 -5.723 7.008 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.221 -4.001 9.082 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -10.339 -6.768 8.433 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.548 -7.156 10.144 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.478 -4.529 11.267 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -9.498 -5.892 11.739 1.00 0.00 H new ATOM 1631 N VAL A 107 -6.149 -3.546 4.213 1.00 0.00 N ATOM 1632 CA VAL A 107 -6.096 -4.498 3.197 1.00 0.00 C ATOM 1633 C VAL A 107 -5.789 -5.834 3.838 1.00 0.00 C ATOM 1634 O VAL A 107 -4.967 -5.931 4.760 1.00 0.00 O ATOM 1635 CB VAL A 107 -5.105 -4.192 2.066 1.00 0.00 C ATOM 1636 CG1 VAL A 107 -3.680 -4.312 2.511 1.00 0.00 C ATOM 1637 CG2 VAL A 107 -5.386 -5.081 0.899 1.00 0.00 C ATOM 0 H VAL A 107 -5.309 -3.490 4.790 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.066 -4.498 2.700 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.245 -3.153 1.766 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.018 -4.086 1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.492 -3.610 3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.492 -5.328 2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.681 -4.862 0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.280 -6.123 1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.403 -4.908 0.546 1.00 0.00 H new ATOM 1647 N VAL A 108 -6.482 -6.814 3.410 1.00 0.00 N ATOM 1648 CA VAL A 108 -6.362 -8.136 3.910 1.00 0.00 C ATOM 1649 C VAL A 108 -6.019 -9.039 2.775 1.00 0.00 C ATOM 1650 O VAL A 108 -6.429 -8.793 1.644 1.00 0.00 O ATOM 1651 CB VAL A 108 -7.668 -8.567 4.608 1.00 0.00 C ATOM 1652 CG1 VAL A 108 -7.896 -7.638 5.725 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -8.833 -8.416 3.699 1.00 0.00 C ATOM 0 H VAL A 108 -7.179 -6.720 2.671 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.570 -8.189 4.657 1.00 0.00 H new ATOM 0 HB VAL A 108 -7.573 -9.607 4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.814 -7.912 6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.057 -7.690 6.419 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.986 -6.622 5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.741 -8.727 4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -8.926 -7.373 3.397 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.688 -9.038 2.815 1.00 0.00 H new ATOM 1663 N SER A 109 -5.237 -10.019 3.027 1.00 0.00 N ATOM 1664 CA SER A 109 -4.802 -10.861 1.989 1.00 0.00 C ATOM 1665 C SER A 109 -4.635 -12.287 2.501 1.00 0.00 C ATOM 1666 O SER A 109 -3.615 -12.588 3.147 1.00 0.00 O ATOM 1667 CB SER A 109 -3.485 -10.275 1.451 1.00 0.00 C ATOM 1668 OG SER A 109 -2.893 -11.057 0.418 1.00 0.00 O ATOM 1669 OXT SER A 109 -5.532 -13.110 2.270 1.00 0.00 O ATOM 0 H SER A 109 -4.884 -10.257 3.954 1.00 0.00 H new ATOM 0 HA SER A 109 -5.533 -10.910 1.182 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.672 -9.270 1.073 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.777 -10.179 2.274 1.00 0.00 H new ATOM 0 HG SER A 109 -2.063 -10.630 0.120 1.00 0.00 H new