USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 885 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 79 SER OG : rot -81:sc= 0.791 USER MOD Set 1.2: A 82 THR OG1 : rot -90:sc= 0.51 USER MOD Set 2.1: A 54 SER OG : rot 180:sc= -0.709 USER MOD Set 2.2: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 31 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.188) USER MOD Set 3.2: A 34 GLN : amide:sc= -1.42 K(o=-1.4,f=-0.55) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 171:sc= -1.79! USER MOD Single : A 23 TYR OH : rot 162:sc= -1.54! USER MOD Single : A 24 SER OG : rot -94:sc= 0.11 USER MOD Single : A 27 SER OG : rot -79:sc= 1.01 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.00016) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.155 K(o=-0.16,f=-2.1!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -121:sc= -0.0028 (180deg=-0.0153) USER MOD Single : A 57 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.2) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.215) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -124:sc= -0.241 (180deg=-1.75) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= -1.57! USER MOD Single : A 84 ASN : amide:sc= -0.161 X(o=-0.16,f=-0.23) USER MOD Single : A 87 ASN : amide:sc= -0.504 K(o=-0.5,f=-3.8!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 96 THR OG1 : rot 180:sc= -1.17! USER MOD Single : A 97 ASN : amide:sc= -0.0211 X(o=-0.021,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -3.2! USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -114:sc= -1.12 (180deg=-2.59!) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HE2:sc= -3.48! C(o=-3.5!,f=-11!) USER MOD Single : B 9 SER OG : rot 127:sc= -1.03! USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 222 N ILE A 14 2.459 -11.556 -4.941 1.00 0.00 N ATOM 223 CA ILE A 14 3.034 -10.158 -4.881 1.00 0.00 C ATOM 224 C ILE A 14 2.103 -9.247 -4.057 1.00 0.00 C ATOM 225 O ILE A 14 2.566 -8.426 -3.287 1.00 0.00 O ATOM 226 CB ILE A 14 3.156 -9.670 -6.346 1.00 0.00 C ATOM 227 CG1 ILE A 14 4.292 -10.441 -7.039 1.00 0.00 C ATOM 228 CG2 ILE A 14 3.463 -8.165 -6.403 1.00 0.00 C ATOM 229 CD1 ILE A 14 5.627 -10.181 -6.319 1.00 0.00 C ATOM 0 HA ILE A 14 4.010 -10.139 -4.395 1.00 0.00 H new ATOM 0 HB ILE A 14 2.207 -9.850 -6.852 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.071 -11.508 -7.037 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.367 -10.133 -8.082 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.543 -7.849 -7.443 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.660 -7.611 -5.917 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.404 -7.966 -5.890 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.423 -10.732 -6.819 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.852 -9.115 -6.344 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.552 -10.511 -5.283 1.00 0.00 H new ATOM 241 N GLU A 15 0.802 -9.397 -4.195 1.00 0.00 N ATOM 242 CA GLU A 15 -0.124 -8.537 -3.384 1.00 0.00 C ATOM 243 C GLU A 15 0.014 -8.907 -1.899 1.00 0.00 C ATOM 244 O GLU A 15 -0.006 -8.042 -1.043 1.00 0.00 O ATOM 245 CB GLU A 15 -1.548 -8.810 -3.891 1.00 0.00 C ATOM 246 CG GLU A 15 -1.713 -8.201 -5.288 1.00 0.00 C ATOM 247 CD GLU A 15 -2.566 -9.130 -6.155 1.00 0.00 C ATOM 248 OE1 GLU A 15 -2.299 -10.321 -6.153 1.00 0.00 O ATOM 249 OE2 GLU A 15 -3.470 -8.635 -6.808 1.00 0.00 O ATOM 0 H GLU A 15 0.350 -10.063 -4.821 1.00 0.00 H new ATOM 0 HA GLU A 15 0.112 -7.478 -3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.735 -9.883 -3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.279 -8.381 -3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.184 -7.221 -5.215 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.736 -8.052 -5.749 1.00 0.00 H new ATOM 256 N GLY A 16 0.181 -10.180 -1.579 1.00 0.00 N ATOM 257 CA GLY A 16 0.348 -10.566 -0.146 1.00 0.00 C ATOM 258 C GLY A 16 1.760 -10.164 0.296 1.00 0.00 C ATOM 259 O GLY A 16 1.934 -9.516 1.311 1.00 0.00 O ATOM 0 H GLY A 16 0.207 -10.952 -2.245 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.400 -10.068 0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.202 -11.639 -0.022 1.00 0.00 H new ATOM 263 N ARG A 17 2.771 -10.518 -0.475 1.00 0.00 N ATOM 264 CA ARG A 17 4.170 -10.114 -0.097 1.00 0.00 C ATOM 265 C ARG A 17 4.281 -8.581 -0.103 1.00 0.00 C ATOM 266 O ARG A 17 5.042 -8.021 0.653 1.00 0.00 O ATOM 267 CB ARG A 17 5.112 -10.720 -1.149 1.00 0.00 C ATOM 268 CG ARG A 17 5.011 -12.249 -1.111 1.00 0.00 C ATOM 269 CD ARG A 17 6.168 -12.821 -0.289 1.00 0.00 C ATOM 270 NE ARG A 17 5.921 -14.289 -0.248 1.00 0.00 N ATOM 271 CZ ARG A 17 5.692 -14.881 0.892 1.00 0.00 C ATOM 272 NH1 ARG A 17 4.569 -14.669 1.523 1.00 0.00 N ATOM 273 NH2 ARG A 17 6.584 -15.686 1.401 1.00 0.00 N ATOM 0 H ARG A 17 2.689 -11.060 -1.335 1.00 0.00 H new ATOM 0 HA ARG A 17 4.430 -10.469 0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.850 -10.353 -2.141 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.138 -10.408 -0.955 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.058 -12.550 -0.675 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.038 -12.650 -2.124 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.130 -12.595 -0.750 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.188 -12.396 0.714 1.00 0.00 H new ATOM 0 HE ARG A 17 5.931 -14.832 -1.111 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.871 -14.041 1.125 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.390 -15.132 2.414 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.461 -15.853 0.908 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.404 -16.148 2.292 1.00 0.00 H new ATOM 287 N TYR A 18 3.530 -7.889 -0.943 1.00 0.00 N ATOM 288 CA TYR A 18 3.619 -6.382 -0.953 1.00 0.00 C ATOM 289 C TYR A 18 3.329 -5.831 0.450 1.00 0.00 C ATOM 290 O TYR A 18 3.978 -4.903 0.899 1.00 0.00 O ATOM 291 CB TYR A 18 2.548 -5.875 -1.949 1.00 0.00 C ATOM 292 CG TYR A 18 3.159 -5.481 -3.283 1.00 0.00 C ATOM 293 CD1 TYR A 18 4.317 -6.111 -3.766 1.00 0.00 C ATOM 294 CD2 TYR A 18 2.538 -4.486 -4.048 1.00 0.00 C ATOM 295 CE1 TYR A 18 4.851 -5.741 -5.005 1.00 0.00 C ATOM 296 CE2 TYR A 18 3.070 -4.120 -5.288 1.00 0.00 C ATOM 297 CZ TYR A 18 4.227 -4.746 -5.767 1.00 0.00 C ATOM 298 OH TYR A 18 4.751 -4.384 -6.990 1.00 0.00 O ATOM 0 H TYR A 18 2.872 -8.293 -1.609 1.00 0.00 H new ATOM 0 HA TYR A 18 4.615 -6.052 -1.247 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.801 -6.653 -2.107 1.00 0.00 H new ATOM 0 HB3 TYR A 18 2.029 -5.018 -1.520 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.796 -6.882 -3.181 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.646 -4.000 -3.679 1.00 0.00 H new ATOM 0 HE1 TYR A 18 5.744 -6.223 -5.374 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.588 -3.354 -5.877 1.00 0.00 H new ATOM 0 HH TYR A 18 4.197 -3.681 -7.388 1.00 0.00 H new ATOM 308 N ALA A 19 2.372 -6.400 1.157 1.00 0.00 N ATOM 309 CA ALA A 19 2.080 -5.891 2.541 1.00 0.00 C ATOM 310 C ALA A 19 3.100 -6.467 3.526 1.00 0.00 C ATOM 311 O ALA A 19 3.546 -5.778 4.426 1.00 0.00 O ATOM 312 CB ALA A 19 0.666 -6.365 2.907 1.00 0.00 C ATOM 0 H ALA A 19 1.792 -7.178 0.843 1.00 0.00 H new ATOM 0 HA ALA A 19 2.144 -4.804 2.582 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.413 -6.016 3.908 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.050 -5.962 2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.630 -7.454 2.883 1.00 0.00 H new ATOM 318 N THR A 20 3.486 -7.720 3.368 1.00 0.00 N ATOM 319 CA THR A 20 4.491 -8.299 4.318 1.00 0.00 C ATOM 320 C THR A 20 5.902 -7.777 4.016 1.00 0.00 C ATOM 321 O THR A 20 6.732 -7.730 4.904 1.00 0.00 O ATOM 322 CB THR A 20 4.419 -9.828 4.182 1.00 0.00 C ATOM 323 OG1 THR A 20 3.794 -10.171 2.950 1.00 0.00 O ATOM 324 CG2 THR A 20 3.604 -10.392 5.350 1.00 0.00 C ATOM 0 H THR A 20 3.155 -8.351 2.638 1.00 0.00 H new ATOM 0 HA THR A 20 4.266 -8.000 5.342 1.00 0.00 H new ATOM 0 HB THR A 20 5.425 -10.248 4.198 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.878 -11.135 2.798 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.547 -11.477 5.263 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.086 -10.128 6.291 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.598 -9.973 5.328 1.00 0.00 H new ATOM 332 N ALA A 21 6.191 -7.350 2.799 1.00 0.00 N ATOM 333 CA ALA A 21 7.562 -6.804 2.529 1.00 0.00 C ATOM 334 C ALA A 21 7.654 -5.346 3.011 1.00 0.00 C ATOM 335 O ALA A 21 8.739 -4.846 3.244 1.00 0.00 O ATOM 336 CB ALA A 21 7.789 -6.894 1.012 1.00 0.00 C ATOM 0 H ALA A 21 5.552 -7.357 2.004 1.00 0.00 H new ATOM 0 HA ALA A 21 8.325 -7.371 3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.778 -6.506 0.768 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.719 -7.934 0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.031 -6.305 0.495 1.00 0.00 H new ATOM 342 N LEU A 22 6.535 -4.661 3.199 1.00 0.00 N ATOM 343 CA LEU A 22 6.613 -3.253 3.706 1.00 0.00 C ATOM 344 C LEU A 22 6.375 -3.267 5.210 1.00 0.00 C ATOM 345 O LEU A 22 7.081 -2.613 5.957 1.00 0.00 O ATOM 346 CB LEU A 22 5.512 -2.464 2.987 1.00 0.00 C ATOM 347 CG LEU A 22 5.549 -0.999 3.449 1.00 0.00 C ATOM 348 CD1 LEU A 22 6.240 -0.140 2.389 1.00 0.00 C ATOM 349 CD2 LEU A 22 4.119 -0.493 3.665 1.00 0.00 C ATOM 0 H LEU A 22 5.594 -5.014 3.025 1.00 0.00 H new ATOM 0 HA LEU A 22 7.585 -2.797 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.655 -2.520 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.537 -2.900 3.203 1.00 0.00 H new ATOM 0 HG LEU A 22 6.104 -0.932 4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.264 0.898 2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.259 -0.497 2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.690 -0.208 1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.146 0.546 3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.563 -0.564 2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.629 -1.101 4.426 1.00 0.00 H new ATOM 361 N TYR A 23 5.410 -4.033 5.673 1.00 0.00 N ATOM 362 CA TYR A 23 5.181 -4.099 7.138 1.00 0.00 C ATOM 363 C TYR A 23 6.246 -5.016 7.787 1.00 0.00 C ATOM 364 O TYR A 23 6.431 -4.950 8.983 1.00 0.00 O ATOM 365 CB TYR A 23 3.709 -4.573 7.329 1.00 0.00 C ATOM 366 CG TYR A 23 3.610 -5.914 8.008 1.00 0.00 C ATOM 367 CD1 TYR A 23 3.969 -6.050 9.350 1.00 0.00 C ATOM 368 CD2 TYR A 23 3.176 -7.016 7.282 1.00 0.00 C ATOM 369 CE1 TYR A 23 3.888 -7.294 9.967 1.00 0.00 C ATOM 370 CE2 TYR A 23 3.098 -8.260 7.887 1.00 0.00 C ATOM 371 CZ TYR A 23 3.450 -8.408 9.237 1.00 0.00 C ATOM 372 OH TYR A 23 3.373 -9.647 9.842 1.00 0.00 O ATOM 0 H TYR A 23 4.785 -4.603 5.103 1.00 0.00 H new ATOM 0 HA TYR A 23 5.296 -3.138 7.640 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.167 -3.832 7.917 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.220 -4.627 6.356 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.309 -5.191 9.909 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.899 -6.903 6.244 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.162 -7.402 11.006 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.766 -9.116 7.319 1.00 0.00 H new ATOM 0 HH TYR A 23 2.801 -10.237 9.308 1.00 0.00 H new ATOM 382 N SER A 24 6.974 -5.849 7.032 1.00 0.00 N ATOM 383 CA SER A 24 8.039 -6.705 7.694 1.00 0.00 C ATOM 384 C SER A 24 8.936 -5.800 8.556 1.00 0.00 C ATOM 385 O SER A 24 9.302 -6.153 9.662 1.00 0.00 O ATOM 386 CB SER A 24 8.856 -7.357 6.571 1.00 0.00 C ATOM 387 OG SER A 24 10.199 -7.530 7.005 1.00 0.00 O ATOM 0 H SER A 24 6.878 -5.966 6.023 1.00 0.00 H new ATOM 0 HA SER A 24 7.602 -7.471 8.335 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.422 -8.320 6.302 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.828 -6.734 5.677 1.00 0.00 H new ATOM 0 HG SER A 24 10.738 -6.764 6.715 1.00 0.00 H new ATOM 393 N ALA A 25 9.226 -4.599 8.084 1.00 0.00 N ATOM 394 CA ALA A 25 10.021 -3.649 8.923 1.00 0.00 C ATOM 395 C ALA A 25 9.070 -3.059 9.977 1.00 0.00 C ATOM 396 O ALA A 25 9.440 -2.900 11.125 1.00 0.00 O ATOM 397 CB ALA A 25 10.546 -2.550 7.984 1.00 0.00 C ATOM 0 H ALA A 25 8.948 -4.247 7.168 1.00 0.00 H new ATOM 0 HA ALA A 25 10.860 -4.130 9.427 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.134 -1.832 8.557 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.172 -2.999 7.213 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.705 -2.039 7.516 1.00 0.00 H new ATOM 403 N ALA A 26 7.830 -2.759 9.605 1.00 0.00 N ATOM 404 CA ALA A 26 6.861 -2.211 10.621 1.00 0.00 C ATOM 405 C ALA A 26 6.685 -3.223 11.768 1.00 0.00 C ATOM 406 O ALA A 26 6.559 -2.839 12.914 1.00 0.00 O ATOM 407 CB ALA A 26 5.520 -2.005 9.894 1.00 0.00 C ATOM 0 H ALA A 26 7.459 -2.869 8.661 1.00 0.00 H new ATOM 0 HA ALA A 26 7.223 -1.274 11.045 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.784 -1.608 10.593 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.656 -1.302 9.072 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.169 -2.959 9.501 1.00 0.00 H new ATOM 413 N SER A 27 6.679 -4.515 11.475 1.00 0.00 N ATOM 414 CA SER A 27 6.516 -5.533 12.578 1.00 0.00 C ATOM 415 C SER A 27 7.620 -5.333 13.629 1.00 0.00 C ATOM 416 O SER A 27 7.363 -5.388 14.818 1.00 0.00 O ATOM 417 CB SER A 27 6.650 -6.919 11.928 1.00 0.00 C ATOM 418 OG SER A 27 8.029 -7.223 11.746 1.00 0.00 O ATOM 0 H SER A 27 6.778 -4.901 10.536 1.00 0.00 H new ATOM 0 HA SER A 27 5.551 -5.430 13.074 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.179 -7.675 12.556 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.133 -6.935 10.969 1.00 0.00 H new ATOM 0 HG SER A 27 8.366 -6.752 10.955 1.00 0.00 H new ATOM 424 N LYS A 28 8.841 -5.075 13.202 1.00 0.00 N ATOM 425 CA LYS A 28 9.944 -4.845 14.201 1.00 0.00 C ATOM 426 C LYS A 28 9.632 -3.580 15.020 1.00 0.00 C ATOM 427 O LYS A 28 9.865 -3.540 16.213 1.00 0.00 O ATOM 428 CB LYS A 28 11.242 -4.654 13.401 1.00 0.00 C ATOM 429 CG LYS A 28 12.443 -5.007 14.281 1.00 0.00 C ATOM 430 CD LYS A 28 12.786 -6.488 14.105 1.00 0.00 C ATOM 431 CE LYS A 28 13.480 -7.005 15.367 1.00 0.00 C ATOM 432 NZ LYS A 28 14.393 -8.082 14.890 1.00 0.00 N ATOM 0 H LYS A 28 9.118 -5.014 12.222 1.00 0.00 H new ATOM 0 HA LYS A 28 10.040 -5.684 14.890 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.230 -5.286 12.513 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.321 -3.623 13.057 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.300 -4.390 14.011 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.216 -4.797 15.326 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.879 -7.062 13.915 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.435 -6.621 13.240 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.034 -6.210 15.867 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.757 -7.390 16.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.905 -8.486 15.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.837 -8.828 14.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.075 -7.685 14.212 1.00 0.00 H new ATOM 446 N GLN A 29 9.090 -2.550 14.392 1.00 0.00 N ATOM 447 CA GLN A 29 8.752 -1.302 15.161 1.00 0.00 C ATOM 448 C GLN A 29 7.313 -1.354 15.727 1.00 0.00 C ATOM 449 O GLN A 29 6.895 -0.436 16.407 1.00 0.00 O ATOM 450 CB GLN A 29 8.890 -0.140 14.167 1.00 0.00 C ATOM 451 CG GLN A 29 10.329 -0.076 13.651 1.00 0.00 C ATOM 452 CD GLN A 29 10.485 1.130 12.717 1.00 0.00 C ATOM 453 OE1 GLN A 29 10.878 2.195 13.151 1.00 0.00 O ATOM 454 NE2 GLN A 29 10.195 1.015 11.444 1.00 0.00 N ATOM 0 H GLN A 29 8.871 -2.522 13.396 1.00 0.00 H new ATOM 0 HA GLN A 29 9.417 -1.187 16.017 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.200 -0.276 13.334 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.624 0.800 14.651 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.023 0.006 14.487 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.577 -0.995 13.120 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.865 0.123 11.075 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.300 1.817 10.823 1.00 0.00 H new ATOM 463 N ASN A 30 6.539 -2.402 15.456 1.00 0.00 N ATOM 464 CA ASN A 30 5.134 -2.490 15.978 1.00 0.00 C ATOM 465 C ASN A 30 4.267 -1.435 15.290 1.00 0.00 C ATOM 466 O ASN A 30 3.449 -0.791 15.919 1.00 0.00 O ATOM 467 CB ASN A 30 5.196 -2.249 17.496 1.00 0.00 C ATOM 468 CG ASN A 30 4.088 -3.054 18.188 1.00 0.00 C ATOM 469 OD1 ASN A 30 4.181 -4.262 18.291 1.00 0.00 O ATOM 470 ND2 ASN A 30 3.036 -2.439 18.670 1.00 0.00 N ATOM 0 H ASN A 30 6.832 -3.199 14.891 1.00 0.00 H new ATOM 0 HA ASN A 30 4.693 -3.466 15.774 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.171 -2.546 17.882 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.077 -1.187 17.711 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.299 -2.974 19.130 1.00 0.00 H new ATOM 0 HD22 ASN A 30 2.954 -1.426 18.586 1.00 0.00 H new ATOM 477 N LYS A 31 4.433 -1.258 13.994 1.00 0.00 N ATOM 478 CA LYS A 31 3.603 -0.248 13.273 1.00 0.00 C ATOM 479 C LYS A 31 2.519 -0.912 12.398 1.00 0.00 C ATOM 480 O LYS A 31 1.874 -0.229 11.625 1.00 0.00 O ATOM 481 CB LYS A 31 4.580 0.540 12.400 1.00 0.00 C ATOM 482 CG LYS A 31 5.064 1.778 13.159 1.00 0.00 C ATOM 483 CD LYS A 31 5.884 1.345 14.378 1.00 0.00 C ATOM 484 CE LYS A 31 6.816 2.484 14.797 1.00 0.00 C ATOM 485 NZ LYS A 31 5.912 3.550 15.314 1.00 0.00 N ATOM 0 H LYS A 31 5.102 -1.767 13.416 1.00 0.00 H new ATOM 0 HA LYS A 31 3.072 0.390 13.979 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.429 -0.088 12.129 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.094 0.838 11.471 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.670 2.405 12.504 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.212 2.379 13.476 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.220 1.083 15.202 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.465 0.454 14.141 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.520 2.157 15.563 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.406 2.842 13.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.470 4.257 15.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.426 4.010 14.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.207 3.128 15.952 1.00 0.00 H new ATOM 499 N LEU A 32 2.284 -2.222 12.505 1.00 0.00 N ATOM 500 CA LEU A 32 1.202 -2.864 11.659 1.00 0.00 C ATOM 501 C LEU A 32 -0.103 -2.055 11.755 1.00 0.00 C ATOM 502 O LEU A 32 -0.835 -1.957 10.795 1.00 0.00 O ATOM 503 CB LEU A 32 1.001 -4.279 12.213 1.00 0.00 C ATOM 504 CG LEU A 32 1.980 -5.226 11.501 1.00 0.00 C ATOM 505 CD1 LEU A 32 2.678 -6.129 12.522 1.00 0.00 C ATOM 506 CD2 LEU A 32 1.221 -6.077 10.468 1.00 0.00 C ATOM 0 H LEU A 32 2.785 -2.856 13.128 1.00 0.00 H new ATOM 0 HA LEU A 32 1.487 -2.892 10.607 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.176 -4.293 13.289 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.026 -4.606 12.053 1.00 0.00 H new ATOM 0 HG LEU A 32 2.737 -4.635 10.986 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.369 -6.795 12.006 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.230 -5.515 13.234 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.933 -6.720 13.054 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.919 -6.747 9.965 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.454 -6.664 10.973 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.752 -5.424 9.732 1.00 0.00 H new ATOM 518 N GLU A 33 -0.376 -1.434 12.889 1.00 0.00 N ATOM 519 CA GLU A 33 -1.617 -0.589 12.980 1.00 0.00 C ATOM 520 C GLU A 33 -1.383 0.673 12.133 1.00 0.00 C ATOM 521 O GLU A 33 -2.235 1.081 11.366 1.00 0.00 O ATOM 522 CB GLU A 33 -1.807 -0.223 14.460 1.00 0.00 C ATOM 523 CG GLU A 33 -2.052 -1.495 15.273 1.00 0.00 C ATOM 524 CD GLU A 33 -3.417 -2.081 14.907 1.00 0.00 C ATOM 525 OE1 GLU A 33 -3.497 -2.753 13.892 1.00 0.00 O ATOM 526 OE2 GLU A 33 -4.357 -1.849 15.648 1.00 0.00 O ATOM 0 H GLU A 33 0.193 -1.475 13.735 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.504 -1.106 12.614 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.924 0.296 14.834 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.649 0.460 14.571 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.266 -2.224 15.073 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.015 -1.271 16.339 1.00 0.00 H new ATOM 533 N GLN A 34 -0.211 1.277 12.243 1.00 0.00 N ATOM 534 CA GLN A 34 0.092 2.497 11.408 1.00 0.00 C ATOM 535 C GLN A 34 0.062 2.144 9.911 1.00 0.00 C ATOM 536 O GLN A 34 -0.177 3.003 9.082 1.00 0.00 O ATOM 537 CB GLN A 34 1.503 2.967 11.806 1.00 0.00 C ATOM 538 CG GLN A 34 1.495 3.473 13.257 1.00 0.00 C ATOM 539 CD GLN A 34 1.934 4.943 13.301 1.00 0.00 C ATOM 540 OE1 GLN A 34 2.977 5.257 13.841 1.00 0.00 O ATOM 541 NE2 GLN A 34 1.182 5.867 12.754 1.00 0.00 N ATOM 0 H GLN A 34 0.539 0.981 12.867 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.649 3.277 11.580 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.212 2.146 11.702 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.834 3.761 11.136 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.496 3.370 13.682 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.165 2.866 13.866 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.306 5.609 12.300 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.473 6.844 12.783 1.00 0.00 H new ATOM 550 N VAL A 35 0.315 0.901 9.545 1.00 0.00 N ATOM 551 CA VAL A 35 0.307 0.538 8.089 1.00 0.00 C ATOM 552 C VAL A 35 -1.027 -0.135 7.710 1.00 0.00 C ATOM 553 O VAL A 35 -1.583 0.142 6.666 1.00 0.00 O ATOM 554 CB VAL A 35 1.482 -0.448 7.859 1.00 0.00 C ATOM 555 CG1 VAL A 35 1.903 -0.390 6.391 1.00 0.00 C ATOM 556 CG2 VAL A 35 2.703 -0.102 8.742 1.00 0.00 C ATOM 0 H VAL A 35 0.524 0.134 10.185 1.00 0.00 H new ATOM 0 HA VAL A 35 0.417 1.429 7.471 1.00 0.00 H new ATOM 0 HB VAL A 35 1.139 -1.447 8.128 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.729 -1.081 6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.060 -0.671 5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.221 0.623 6.143 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.504 -0.816 8.551 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.050 0.904 8.506 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.417 -0.150 9.793 1.00 0.00 H new ATOM 566 N GLU A 36 -1.543 -1.016 8.543 1.00 0.00 N ATOM 567 CA GLU A 36 -2.844 -1.701 8.204 1.00 0.00 C ATOM 568 C GLU A 36 -4.011 -0.698 8.192 1.00 0.00 C ATOM 569 O GLU A 36 -4.940 -0.844 7.419 1.00 0.00 O ATOM 570 CB GLU A 36 -3.090 -2.754 9.298 1.00 0.00 C ATOM 571 CG GLU A 36 -4.105 -3.783 8.796 1.00 0.00 C ATOM 572 CD GLU A 36 -4.642 -4.591 9.979 1.00 0.00 C ATOM 573 OE1 GLU A 36 -4.768 -4.025 11.052 1.00 0.00 O ATOM 574 OE2 GLU A 36 -4.921 -5.764 9.791 1.00 0.00 O ATOM 0 H GLU A 36 -1.127 -1.289 9.433 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.784 -2.151 7.213 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.154 -3.248 9.559 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.461 -2.274 10.204 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.925 -3.280 8.283 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.636 -4.448 8.071 1.00 0.00 H new ATOM 581 N LYS A 37 -3.989 0.309 9.047 1.00 0.00 N ATOM 582 CA LYS A 37 -5.132 1.289 9.064 1.00 0.00 C ATOM 583 C LYS A 37 -4.963 2.347 7.970 1.00 0.00 C ATOM 584 O LYS A 37 -5.934 2.739 7.347 1.00 0.00 O ATOM 585 CB LYS A 37 -5.130 1.944 10.453 1.00 0.00 C ATOM 586 CG LYS A 37 -6.571 2.142 10.927 1.00 0.00 C ATOM 587 CD LYS A 37 -7.144 3.415 10.301 1.00 0.00 C ATOM 588 CE LYS A 37 -8.658 3.268 10.140 1.00 0.00 C ATOM 589 NZ LYS A 37 -9.211 4.619 10.439 1.00 0.00 N ATOM 0 H LYS A 37 -3.245 0.491 9.720 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.077 0.782 8.870 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.586 1.318 11.161 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.614 2.903 10.413 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.179 1.281 10.647 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.601 2.213 12.014 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.916 4.276 10.929 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.680 3.597 9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.918 2.950 9.131 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.057 2.518 10.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.247 4.598 10.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.953 4.893 11.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.819 5.311 9.768 1.00 0.00 H new ATOM 603 N GLU A 38 -3.756 2.808 7.707 1.00 0.00 N ATOM 604 CA GLU A 38 -3.597 3.831 6.621 1.00 0.00 C ATOM 605 C GLU A 38 -3.746 3.137 5.259 1.00 0.00 C ATOM 606 O GLU A 38 -4.350 3.678 4.352 1.00 0.00 O ATOM 607 CB GLU A 38 -2.205 4.445 6.789 1.00 0.00 C ATOM 608 CG GLU A 38 -2.277 5.581 7.811 1.00 0.00 C ATOM 609 CD GLU A 38 -2.544 5.005 9.202 1.00 0.00 C ATOM 610 OE1 GLU A 38 -3.695 4.723 9.494 1.00 0.00 O ATOM 611 OE2 GLU A 38 -1.594 4.854 9.953 1.00 0.00 O ATOM 0 H GLU A 38 -2.898 2.528 8.183 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.353 4.615 6.678 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.497 3.686 7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.843 4.822 5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.343 6.142 7.812 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.068 6.280 7.538 1.00 0.00 H new ATOM 618 N LEU A 39 -3.231 1.927 5.108 1.00 0.00 N ATOM 619 CA LEU A 39 -3.395 1.209 3.790 1.00 0.00 C ATOM 620 C LEU A 39 -4.890 1.105 3.436 1.00 0.00 C ATOM 621 O LEU A 39 -5.261 1.207 2.282 1.00 0.00 O ATOM 622 CB LEU A 39 -2.800 -0.197 3.972 1.00 0.00 C ATOM 623 CG LEU A 39 -1.314 -0.177 3.613 1.00 0.00 C ATOM 624 CD1 LEU A 39 -0.656 -1.474 4.089 1.00 0.00 C ATOM 625 CD2 LEU A 39 -1.158 -0.055 2.096 1.00 0.00 C ATOM 0 H LEU A 39 -2.715 1.416 5.824 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.892 1.745 2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.931 -0.527 5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.328 -0.911 3.339 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.835 0.673 4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.403 -1.460 3.833 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.767 -1.563 5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.135 -2.324 3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.099 -0.041 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.637 -0.906 1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.627 0.868 1.755 1.00 0.00 H new ATOM 637 N LEU A 40 -5.758 0.913 4.419 1.00 0.00 N ATOM 638 CA LEU A 40 -7.231 0.820 4.102 1.00 0.00 C ATOM 639 C LEU A 40 -7.700 2.096 3.377 1.00 0.00 C ATOM 640 O LEU A 40 -8.551 2.036 2.509 1.00 0.00 O ATOM 641 CB LEU A 40 -7.967 0.676 5.443 1.00 0.00 C ATOM 642 CG LEU A 40 -9.353 0.073 5.203 1.00 0.00 C ATOM 643 CD1 LEU A 40 -9.282 -1.447 5.364 1.00 0.00 C ATOM 644 CD2 LEU A 40 -10.341 0.646 6.220 1.00 0.00 C ATOM 0 H LEU A 40 -5.515 0.819 5.405 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.436 -0.029 3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.394 0.040 6.118 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.061 1.649 5.925 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.686 0.317 4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.269 -1.877 5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.577 -1.857 4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.949 -1.691 6.373 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.328 0.217 6.050 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.008 0.401 7.229 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.392 1.729 6.108 1.00 0.00 H new ATOM 656 N ARG A 41 -7.157 3.253 3.720 1.00 0.00 N ATOM 657 CA ARG A 41 -7.595 4.520 3.027 1.00 0.00 C ATOM 658 C ARG A 41 -7.366 4.396 1.512 1.00 0.00 C ATOM 659 O ARG A 41 -8.195 4.811 0.724 1.00 0.00 O ATOM 660 CB ARG A 41 -6.738 5.661 3.598 1.00 0.00 C ATOM 661 CG ARG A 41 -7.270 6.059 4.977 1.00 0.00 C ATOM 662 CD ARG A 41 -8.259 7.217 4.828 1.00 0.00 C ATOM 663 NE ARG A 41 -8.622 7.592 6.224 1.00 0.00 N ATOM 664 CZ ARG A 41 -9.845 7.426 6.646 1.00 0.00 C ATOM 665 NH1 ARG A 41 -10.272 6.234 6.959 1.00 0.00 N ATOM 666 NH2 ARG A 41 -10.643 8.454 6.757 1.00 0.00 N ATOM 0 H ARG A 41 -6.442 3.373 4.437 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.656 4.709 3.192 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.698 5.345 3.675 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.761 6.519 2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.759 5.207 5.449 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.445 6.353 5.626 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.808 8.056 4.298 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.138 6.915 4.258 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.914 7.978 6.849 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.649 5.431 6.874 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.229 6.105 7.289 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.310 9.387 6.514 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.599 8.324 7.087 1.00 0.00 H new ATOM 680 N VAL A 42 -6.254 3.819 1.095 1.00 0.00 N ATOM 681 CA VAL A 42 -6.005 3.672 -0.385 1.00 0.00 C ATOM 682 C VAL A 42 -7.119 2.813 -1.010 1.00 0.00 C ATOM 683 O VAL A 42 -7.585 3.096 -2.098 1.00 0.00 O ATOM 684 CB VAL A 42 -4.634 2.985 -0.535 1.00 0.00 C ATOM 685 CG1 VAL A 42 -4.325 2.754 -2.017 1.00 0.00 C ATOM 686 CG2 VAL A 42 -3.553 3.882 0.071 1.00 0.00 C ATOM 0 H VAL A 42 -5.522 3.450 1.702 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.006 4.636 -0.893 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.654 2.025 -0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.354 2.268 -2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.095 2.118 -2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.306 3.711 -2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.581 3.401 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.541 4.840 -0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.766 4.046 1.127 1.00 0.00 H new ATOM 696 N GLY A 43 -7.563 1.774 -0.327 1.00 0.00 N ATOM 697 CA GLY A 43 -8.653 0.922 -0.885 1.00 0.00 C ATOM 698 C GLY A 43 -9.941 1.752 -0.962 1.00 0.00 C ATOM 699 O GLY A 43 -10.615 1.762 -1.975 1.00 0.00 O ATOM 0 H GLY A 43 -7.214 1.487 0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.378 0.559 -1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.806 0.045 -0.256 1.00 0.00 H new ATOM 703 N GLN A 44 -10.287 2.463 0.097 1.00 0.00 N ATOM 704 CA GLN A 44 -11.539 3.305 0.056 1.00 0.00 C ATOM 705 C GLN A 44 -11.440 4.328 -1.089 1.00 0.00 C ATOM 706 O GLN A 44 -12.413 4.596 -1.766 1.00 0.00 O ATOM 707 CB GLN A 44 -11.633 4.032 1.407 1.00 0.00 C ATOM 708 CG GLN A 44 -12.429 3.174 2.394 1.00 0.00 C ATOM 709 CD GLN A 44 -13.930 3.358 2.139 1.00 0.00 C ATOM 710 OE1 GLN A 44 -14.355 4.409 1.703 1.00 0.00 O ATOM 711 NE2 GLN A 44 -14.761 2.376 2.392 1.00 0.00 N ATOM 0 H GLN A 44 -9.767 2.497 0.974 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.422 2.690 -0.116 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.634 4.224 1.799 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -12.117 5.000 1.278 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -12.156 2.125 2.282 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -12.186 3.459 3.418 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -14.409 1.492 2.758 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -15.760 2.497 2.223 1.00 0.00 H new ATOM 720 N ILE A 45 -10.270 4.895 -1.320 1.00 0.00 N ATOM 721 CA ILE A 45 -10.130 5.892 -2.443 1.00 0.00 C ATOM 722 C ILE A 45 -10.456 5.201 -3.776 1.00 0.00 C ATOM 723 O ILE A 45 -11.132 5.765 -4.614 1.00 0.00 O ATOM 724 CB ILE A 45 -8.664 6.380 -2.409 1.00 0.00 C ATOM 725 CG1 ILE A 45 -8.421 7.157 -1.111 1.00 0.00 C ATOM 726 CG2 ILE A 45 -8.375 7.300 -3.599 1.00 0.00 C ATOM 727 CD1 ILE A 45 -6.930 7.124 -0.766 1.00 0.00 C ATOM 0 H ILE A 45 -9.418 4.714 -0.789 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.813 6.735 -2.336 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.006 5.513 -2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.756 8.188 -1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.002 6.720 -0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.338 7.633 -3.558 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.545 6.757 -4.529 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.036 8.166 -3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.758 7.677 0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.610 6.090 -0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.359 7.581 -1.574 1.00 0.00 H new ATOM 739 N LEU A 46 -10.009 3.979 -3.976 1.00 0.00 N ATOM 740 CA LEU A 46 -10.342 3.281 -5.266 1.00 0.00 C ATOM 741 C LEU A 46 -11.782 2.750 -5.210 1.00 0.00 C ATOM 742 O LEU A 46 -12.493 2.785 -6.197 1.00 0.00 O ATOM 743 CB LEU A 46 -9.346 2.119 -5.435 1.00 0.00 C ATOM 744 CG LEU A 46 -8.629 2.262 -6.780 1.00 0.00 C ATOM 745 CD1 LEU A 46 -7.600 1.140 -6.937 1.00 0.00 C ATOM 746 CD2 LEU A 46 -9.652 2.188 -7.919 1.00 0.00 C ATOM 0 H LEU A 46 -9.441 3.445 -3.319 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.267 3.966 -6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.621 2.124 -4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.871 1.165 -5.389 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.119 3.225 -6.816 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.091 1.244 -7.895 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.870 1.200 -6.130 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.105 0.175 -6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.139 2.290 -8.876 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.167 1.228 -7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.378 2.993 -7.809 1.00 0.00 H new ATOM 758 N LYS A 47 -12.232 2.285 -4.061 1.00 0.00 N ATOM 759 CA LYS A 47 -13.646 1.792 -3.965 1.00 0.00 C ATOM 760 C LYS A 47 -14.608 2.988 -4.023 1.00 0.00 C ATOM 761 O LYS A 47 -15.740 2.848 -4.445 1.00 0.00 O ATOM 762 CB LYS A 47 -13.775 1.065 -2.617 1.00 0.00 C ATOM 763 CG LYS A 47 -15.109 0.317 -2.565 1.00 0.00 C ATOM 764 CD LYS A 47 -15.626 0.291 -1.126 1.00 0.00 C ATOM 765 CE LYS A 47 -16.578 1.469 -0.903 1.00 0.00 C ATOM 766 NZ LYS A 47 -17.673 0.924 -0.055 1.00 0.00 N ATOM 0 H LYS A 47 -11.689 2.227 -3.200 1.00 0.00 H new ATOM 0 HA LYS A 47 -13.892 1.120 -4.787 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.949 0.366 -2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.716 1.782 -1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.836 0.804 -3.215 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -14.982 -0.700 -2.935 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -16.142 -0.649 -0.931 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.791 0.347 -0.427 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.071 2.298 -0.409 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.963 1.850 -1.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -18.366 1.674 0.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -18.142 0.141 -0.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -17.277 0.576 0.841 1.00 0.00 H new ATOM 780 N GLU A 48 -14.176 4.174 -3.603 1.00 0.00 N ATOM 781 CA GLU A 48 -15.098 5.363 -3.648 1.00 0.00 C ATOM 782 C GLU A 48 -15.707 5.519 -5.055 1.00 0.00 C ATOM 783 O GLU A 48 -15.007 5.381 -6.034 1.00 0.00 O ATOM 784 CB GLU A 48 -14.238 6.595 -3.319 1.00 0.00 C ATOM 785 CG GLU A 48 -14.284 6.863 -1.813 1.00 0.00 C ATOM 786 CD GLU A 48 -15.505 7.725 -1.486 1.00 0.00 C ATOM 787 OE1 GLU A 48 -15.376 8.938 -1.519 1.00 0.00 O ATOM 788 OE2 GLU A 48 -16.548 7.157 -1.208 1.00 0.00 O ATOM 0 H GLU A 48 -13.241 4.360 -3.239 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.919 5.244 -2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.209 6.429 -3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -14.605 7.464 -3.865 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.333 5.921 -1.266 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.372 7.369 -1.495 1.00 0.00 H new ATOM 795 N PRO A 49 -16.993 5.799 -5.123 1.00 0.00 N ATOM 796 CA PRO A 49 -17.654 5.961 -6.444 1.00 0.00 C ATOM 797 C PRO A 49 -17.216 7.268 -7.132 1.00 0.00 C ATOM 798 O PRO A 49 -17.151 7.331 -8.346 1.00 0.00 O ATOM 799 CB PRO A 49 -19.140 5.999 -6.104 1.00 0.00 C ATOM 800 CG PRO A 49 -19.199 6.468 -4.686 1.00 0.00 C ATOM 801 CD PRO A 49 -17.940 5.989 -4.012 1.00 0.00 C ATOM 0 HA PRO A 49 -17.397 5.162 -7.140 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -19.680 6.676 -6.767 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -19.596 5.015 -6.214 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -19.271 7.555 -4.642 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -20.081 6.070 -4.184 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -17.570 6.719 -3.292 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -18.107 5.060 -3.467 1.00 0.00 H new ATOM 809 N LYS A 50 -16.898 8.306 -6.379 1.00 0.00 N ATOM 810 CA LYS A 50 -16.448 9.584 -7.033 1.00 0.00 C ATOM 811 C LYS A 50 -14.968 9.462 -7.427 1.00 0.00 C ATOM 812 O LYS A 50 -14.549 9.998 -8.437 1.00 0.00 O ATOM 813 CB LYS A 50 -16.636 10.702 -5.994 1.00 0.00 C ATOM 814 CG LYS A 50 -17.173 11.959 -6.685 1.00 0.00 C ATOM 815 CD LYS A 50 -16.003 12.843 -7.120 1.00 0.00 C ATOM 816 CE LYS A 50 -15.598 13.761 -5.965 1.00 0.00 C ATOM 817 NZ LYS A 50 -15.270 15.064 -6.607 1.00 0.00 N ATOM 0 H LYS A 50 -16.930 8.323 -5.360 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.021 9.797 -7.936 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -17.328 10.378 -5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.687 10.921 -5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.774 11.682 -7.551 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -17.825 12.509 -6.007 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -15.158 12.224 -7.420 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -16.286 13.438 -7.989 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -16.408 13.869 -5.244 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.741 13.360 -5.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.983 15.748 -5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.491 14.931 -7.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -16.107 15.424 -7.109 1.00 0.00 H new ATOM 831 N MET A 51 -14.174 8.749 -6.651 1.00 0.00 N ATOM 832 CA MET A 51 -12.727 8.588 -7.007 1.00 0.00 C ATOM 833 C MET A 51 -12.508 7.337 -7.884 1.00 0.00 C ATOM 834 O MET A 51 -11.569 7.289 -8.657 1.00 0.00 O ATOM 835 CB MET A 51 -11.976 8.452 -5.678 1.00 0.00 C ATOM 836 CG MET A 51 -10.472 8.355 -5.953 1.00 0.00 C ATOM 837 SD MET A 51 -9.653 9.912 -5.512 1.00 0.00 S ATOM 838 CE MET A 51 -8.087 9.593 -6.360 1.00 0.00 C ATOM 0 H MET A 51 -14.466 8.277 -5.795 1.00 0.00 H new ATOM 0 HA MET A 51 -12.368 9.440 -7.584 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.186 9.310 -5.039 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.317 7.566 -5.143 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.042 7.534 -5.379 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.301 8.131 -7.006 1.00 0.00 H new ATOM 0 HE1 MET A 51 -7.270 9.624 -5.639 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.121 8.609 -6.829 1.00 0.00 H new ATOM 0 HE3 MET A 51 -7.925 10.353 -7.124 1.00 0.00 H new ATOM 848 N ALA A 52 -13.357 6.323 -7.788 1.00 0.00 N ATOM 849 CA ALA A 52 -13.153 5.095 -8.645 1.00 0.00 C ATOM 850 C ALA A 52 -13.097 5.490 -10.131 1.00 0.00 C ATOM 851 O ALA A 52 -12.321 4.941 -10.891 1.00 0.00 O ATOM 852 CB ALA A 52 -14.356 4.171 -8.394 1.00 0.00 C ATOM 0 H ALA A 52 -14.165 6.293 -7.166 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.216 4.597 -8.395 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.252 3.267 -8.994 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.395 3.903 -7.338 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.275 4.687 -8.671 1.00 0.00 H new ATOM 858 N ALA A 53 -13.908 6.441 -10.552 1.00 0.00 N ATOM 859 CA ALA A 53 -13.877 6.860 -12.001 1.00 0.00 C ATOM 860 C ALA A 53 -12.463 7.325 -12.398 1.00 0.00 C ATOM 861 O ALA A 53 -12.040 7.123 -13.519 1.00 0.00 O ATOM 862 CB ALA A 53 -14.872 8.023 -12.149 1.00 0.00 C ATOM 0 H ALA A 53 -14.580 6.938 -9.967 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.145 6.026 -12.649 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.885 8.362 -13.185 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.869 7.687 -11.865 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.569 8.846 -11.502 1.00 0.00 H new ATOM 868 N SER A 54 -11.725 7.946 -11.493 1.00 0.00 N ATOM 869 CA SER A 54 -10.337 8.411 -11.856 1.00 0.00 C ATOM 870 C SER A 54 -9.345 7.241 -11.779 1.00 0.00 C ATOM 871 O SER A 54 -8.612 6.990 -12.717 1.00 0.00 O ATOM 872 CB SER A 54 -9.959 9.493 -10.834 1.00 0.00 C ATOM 873 OG SER A 54 -9.191 10.501 -11.479 1.00 0.00 O ATOM 0 H SER A 54 -12.018 8.147 -10.537 1.00 0.00 H new ATOM 0 HA SER A 54 -10.307 8.800 -12.874 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.858 9.928 -10.398 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.389 9.053 -10.016 1.00 0.00 H new ATOM 0 HG SER A 54 -8.950 11.194 -10.830 1.00 0.00 H new ATOM 879 N LEU A 55 -9.311 6.522 -10.676 1.00 0.00 N ATOM 880 CA LEU A 55 -8.347 5.366 -10.570 1.00 0.00 C ATOM 881 C LEU A 55 -8.628 4.314 -11.662 1.00 0.00 C ATOM 882 O LEU A 55 -7.726 3.621 -12.093 1.00 0.00 O ATOM 883 CB LEU A 55 -8.546 4.752 -9.175 1.00 0.00 C ATOM 884 CG LEU A 55 -7.826 5.613 -8.127 1.00 0.00 C ATOM 885 CD1 LEU A 55 -8.713 5.775 -6.889 1.00 0.00 C ATOM 886 CD2 LEU A 55 -6.508 4.939 -7.727 1.00 0.00 C ATOM 0 H LEU A 55 -9.897 6.679 -9.856 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.321 5.707 -10.709 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.609 4.690 -8.942 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.156 3.734 -9.155 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.619 6.595 -8.552 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.197 6.387 -6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.648 6.259 -7.172 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.927 4.794 -6.464 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.998 5.551 -6.983 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.715 3.955 -7.307 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.873 4.832 -8.606 1.00 0.00 H new ATOM 898 N LEU A 56 -9.862 4.184 -12.120 1.00 0.00 N ATOM 899 CA LEU A 56 -10.159 3.167 -13.188 1.00 0.00 C ATOM 900 C LEU A 56 -10.271 3.822 -14.589 1.00 0.00 C ATOM 901 O LEU A 56 -10.699 3.180 -15.530 1.00 0.00 O ATOM 902 CB LEU A 56 -11.502 2.538 -12.770 1.00 0.00 C ATOM 903 CG LEU A 56 -11.955 1.500 -13.808 1.00 0.00 C ATOM 904 CD1 LEU A 56 -12.507 0.264 -13.096 1.00 0.00 C ATOM 905 CD2 LEU A 56 -13.050 2.107 -14.695 1.00 0.00 C ATOM 0 H LEU A 56 -10.663 4.731 -11.804 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.361 2.429 -13.271 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.400 2.064 -11.794 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -12.259 3.316 -12.670 1.00 0.00 H new ATOM 0 HG LEU A 56 -11.103 1.212 -14.424 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -12.827 -0.470 -13.836 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.730 -0.171 -12.467 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -13.358 0.550 -12.477 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.371 1.371 -15.432 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -13.900 2.397 -14.077 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.658 2.985 -15.208 1.00 0.00 H new ATOM 917 N ASN A 57 -9.886 5.075 -14.759 1.00 0.00 N ATOM 918 CA ASN A 57 -9.996 5.696 -16.122 1.00 0.00 C ATOM 919 C ASN A 57 -8.646 5.657 -16.850 1.00 0.00 C ATOM 920 O ASN A 57 -7.607 5.707 -16.222 1.00 0.00 O ATOM 921 CB ASN A 57 -10.436 7.153 -15.896 1.00 0.00 C ATOM 922 CG ASN A 57 -11.923 7.304 -16.247 1.00 0.00 C ATOM 923 OD1 ASN A 57 -12.708 6.411 -15.997 1.00 0.00 O ATOM 924 ND2 ASN A 57 -12.352 8.403 -16.819 1.00 0.00 N ATOM 0 H ASN A 57 -9.509 5.679 -14.029 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.709 5.153 -16.742 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.267 7.437 -14.857 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.837 7.824 -16.512 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.340 8.505 -17.052 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.698 9.156 -17.031 1.00 0.00 H new ATOM 931 N PRO A 58 -8.699 5.594 -18.167 1.00 0.00 N ATOM 932 CA PRO A 58 -7.455 5.585 -18.969 1.00 0.00 C ATOM 933 C PRO A 58 -6.902 7.018 -19.175 1.00 0.00 C ATOM 934 O PRO A 58 -5.886 7.193 -19.821 1.00 0.00 O ATOM 935 CB PRO A 58 -7.894 4.989 -20.302 1.00 0.00 C ATOM 936 CG PRO A 58 -9.360 5.281 -20.412 1.00 0.00 C ATOM 937 CD PRO A 58 -9.896 5.520 -19.021 1.00 0.00 C ATOM 0 HA PRO A 58 -6.654 5.025 -18.486 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.343 5.434 -21.131 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.705 3.916 -20.333 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.528 6.156 -21.040 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.880 4.446 -20.882 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.475 6.442 -18.973 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.557 4.712 -18.707 1.00 0.00 H new ATOM 945 N TYR A 59 -7.546 8.046 -18.638 1.00 0.00 N ATOM 946 CA TYR A 59 -7.026 9.440 -18.822 1.00 0.00 C ATOM 947 C TYR A 59 -6.095 9.802 -17.652 1.00 0.00 C ATOM 948 O TYR A 59 -5.085 10.454 -17.844 1.00 0.00 O ATOM 949 CB TYR A 59 -8.259 10.362 -18.836 1.00 0.00 C ATOM 950 CG TYR A 59 -9.222 9.919 -19.919 1.00 0.00 C ATOM 951 CD1 TYR A 59 -9.098 10.435 -21.213 1.00 0.00 C ATOM 952 CD2 TYR A 59 -10.236 8.992 -19.628 1.00 0.00 C ATOM 953 CE1 TYR A 59 -9.983 10.028 -22.218 1.00 0.00 C ATOM 954 CE2 TYR A 59 -11.120 8.585 -20.635 1.00 0.00 C ATOM 955 CZ TYR A 59 -10.995 9.103 -21.929 1.00 0.00 C ATOM 956 OH TYR A 59 -11.866 8.702 -22.921 1.00 0.00 O ATOM 0 H TYR A 59 -8.401 7.972 -18.087 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.454 9.541 -19.744 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.754 10.337 -17.865 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.951 11.393 -19.010 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.319 11.148 -21.437 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.334 8.594 -18.629 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.886 10.427 -23.217 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.899 7.871 -20.413 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.506 8.057 -22.554 1.00 0.00 H new ATOM 966 N VAL A 60 -6.416 9.382 -16.439 1.00 0.00 N ATOM 967 CA VAL A 60 -5.514 9.717 -15.274 1.00 0.00 C ATOM 968 C VAL A 60 -4.081 9.193 -15.514 1.00 0.00 C ATOM 969 O VAL A 60 -3.136 9.717 -14.955 1.00 0.00 O ATOM 970 CB VAL A 60 -6.118 9.054 -14.022 1.00 0.00 C ATOM 971 CG1 VAL A 60 -7.512 9.629 -13.763 1.00 0.00 C ATOM 972 CG2 VAL A 60 -6.226 7.540 -14.228 1.00 0.00 C ATOM 0 H VAL A 60 -7.245 8.834 -16.209 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.447 10.798 -15.150 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.471 9.254 -13.168 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.940 9.160 -12.877 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.438 10.705 -13.604 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.152 9.432 -14.623 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.654 7.081 -13.337 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.867 7.334 -15.086 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.234 7.126 -14.408 1.00 0.00 H new ATOM 982 N LYS A 61 -3.895 8.167 -16.335 1.00 0.00 N ATOM 983 CA LYS A 61 -2.515 7.632 -16.592 1.00 0.00 C ATOM 984 C LYS A 61 -1.876 7.141 -15.284 1.00 0.00 C ATOM 985 O LYS A 61 -2.494 7.183 -14.236 1.00 0.00 O ATOM 986 CB LYS A 61 -1.709 8.797 -17.184 1.00 0.00 C ATOM 987 CG LYS A 61 -0.746 8.264 -18.246 1.00 0.00 C ATOM 988 CD LYS A 61 -0.591 9.300 -19.361 1.00 0.00 C ATOM 989 CE LYS A 61 0.627 10.181 -19.076 1.00 0.00 C ATOM 990 NZ LYS A 61 1.727 9.589 -19.888 1.00 0.00 N ATOM 0 H LYS A 61 -4.642 7.684 -16.833 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.539 6.781 -17.273 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.382 9.532 -17.625 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.153 9.306 -16.396 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.224 8.049 -17.797 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.122 7.327 -18.656 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.474 8.800 -20.322 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.489 9.914 -19.428 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.440 11.217 -19.359 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.875 10.181 -18.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.598 10.139 -19.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.887 8.605 -19.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.465 9.609 -20.894 1.00 0.00 H new ATOM 1004 N ARG A 62 -0.642 6.676 -15.333 1.00 0.00 N ATOM 1005 CA ARG A 62 0.022 6.186 -14.083 1.00 0.00 C ATOM 1006 C ARG A 62 1.014 7.239 -13.568 1.00 0.00 C ATOM 1007 O ARG A 62 0.942 7.650 -12.425 1.00 0.00 O ATOM 1008 CB ARG A 62 0.757 4.900 -14.476 1.00 0.00 C ATOM 1009 CG ARG A 62 -0.156 3.697 -14.240 1.00 0.00 C ATOM 1010 CD ARG A 62 0.686 2.491 -13.818 1.00 0.00 C ATOM 1011 NE ARG A 62 1.054 1.814 -15.093 1.00 0.00 N ATOM 1012 CZ ARG A 62 2.119 2.188 -15.747 1.00 0.00 C ATOM 1013 NH1 ARG A 62 3.246 2.360 -15.112 1.00 0.00 N ATOM 1014 NH2 ARG A 62 2.057 2.392 -17.034 1.00 0.00 N ATOM 0 H ARG A 62 -0.075 6.617 -16.179 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.698 6.003 -13.286 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.054 4.944 -15.524 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.670 4.797 -13.890 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.889 3.930 -13.468 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.712 3.466 -15.148 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.573 2.802 -13.266 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.122 1.825 -13.165 1.00 0.00 H new ATOM 0 HE ARG A 62 0.473 1.058 -15.455 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.293 2.202 -14.105 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.079 2.652 -15.622 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.175 2.259 -17.530 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.890 2.684 -17.545 1.00 0.00 H new ATOM 1028 N SER A 63 1.938 7.689 -14.398 1.00 0.00 N ATOM 1029 CA SER A 63 2.923 8.731 -13.923 1.00 0.00 C ATOM 1030 C SER A 63 2.165 9.965 -13.408 1.00 0.00 C ATOM 1031 O SER A 63 2.512 10.525 -12.386 1.00 0.00 O ATOM 1032 CB SER A 63 3.790 9.110 -15.135 1.00 0.00 C ATOM 1033 OG SER A 63 4.754 8.091 -15.359 1.00 0.00 O ATOM 0 H SER A 63 2.053 7.387 -15.366 1.00 0.00 H new ATOM 0 HA SER A 63 3.540 8.350 -13.109 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.165 9.236 -16.019 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.287 10.064 -14.957 1.00 0.00 H new ATOM 0 HG SER A 63 5.307 8.329 -16.132 1.00 0.00 H new ATOM 1039 N VAL A 64 1.119 10.380 -14.096 1.00 0.00 N ATOM 1040 CA VAL A 64 0.337 11.571 -13.608 1.00 0.00 C ATOM 1041 C VAL A 64 -0.367 11.203 -12.292 1.00 0.00 C ATOM 1042 O VAL A 64 -0.396 11.987 -11.363 1.00 0.00 O ATOM 1043 CB VAL A 64 -0.694 11.901 -14.701 1.00 0.00 C ATOM 1044 CG1 VAL A 64 -1.528 13.112 -14.274 1.00 0.00 C ATOM 1045 CG2 VAL A 64 0.037 12.224 -16.006 1.00 0.00 C ATOM 0 H VAL A 64 0.778 9.955 -14.958 1.00 0.00 H new ATOM 0 HA VAL A 64 0.979 12.431 -13.420 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.351 11.044 -14.850 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.257 13.343 -15.050 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.048 12.886 -13.343 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.873 13.970 -14.124 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.691 12.458 -16.783 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.693 13.081 -15.853 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.631 11.363 -16.313 1.00 0.00 H new ATOM 1055 N LYS A 65 -0.925 10.009 -12.199 1.00 0.00 N ATOM 1056 CA LYS A 65 -1.612 9.606 -10.920 1.00 0.00 C ATOM 1057 C LYS A 65 -0.610 9.636 -9.753 1.00 0.00 C ATOM 1058 O LYS A 65 -0.963 10.001 -8.646 1.00 0.00 O ATOM 1059 CB LYS A 65 -2.138 8.176 -11.126 1.00 0.00 C ATOM 1060 CG LYS A 65 -3.549 8.231 -11.717 1.00 0.00 C ATOM 1061 CD LYS A 65 -4.577 8.222 -10.584 1.00 0.00 C ATOM 1062 CE LYS A 65 -4.859 9.658 -10.139 1.00 0.00 C ATOM 1063 NZ LYS A 65 -6.106 9.571 -9.328 1.00 0.00 N ATOM 0 H LYS A 65 -0.934 9.308 -12.940 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.426 10.290 -10.681 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.474 7.626 -11.793 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.151 7.641 -10.176 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.667 9.130 -12.322 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.712 7.379 -12.377 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.499 7.746 -10.919 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.203 7.637 -9.744 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.033 10.059 -9.552 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.991 10.318 -10.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.365 10.519 -8.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.876 9.193 -9.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.949 8.941 -8.516 1.00 0.00 H new ATOM 1077 N VAL A 66 0.639 9.261 -9.981 1.00 0.00 N ATOM 1078 CA VAL A 66 1.642 9.287 -8.852 1.00 0.00 C ATOM 1079 C VAL A 66 1.747 10.715 -8.285 1.00 0.00 C ATOM 1080 O VAL A 66 1.831 10.898 -7.085 1.00 0.00 O ATOM 1081 CB VAL A 66 2.996 8.841 -9.439 1.00 0.00 C ATOM 1082 CG1 VAL A 66 4.068 8.862 -8.344 1.00 0.00 C ATOM 1083 CG2 VAL A 66 2.871 7.418 -9.996 1.00 0.00 C ATOM 0 H VAL A 66 1.001 8.945 -10.881 1.00 0.00 H new ATOM 0 HA VAL A 66 1.341 8.624 -8.041 1.00 0.00 H new ATOM 0 HB VAL A 66 3.281 9.524 -10.239 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.023 8.546 -8.764 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.163 9.873 -7.947 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.782 8.182 -7.541 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.829 7.104 -10.411 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.582 6.738 -9.195 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.113 7.399 -10.779 1.00 0.00 H new ATOM 1093 N LYS A 67 1.736 11.726 -9.133 1.00 0.00 N ATOM 1094 CA LYS A 67 1.827 13.134 -8.604 1.00 0.00 C ATOM 1095 C LYS A 67 0.567 13.458 -7.790 1.00 0.00 C ATOM 1096 O LYS A 67 0.648 14.065 -6.738 1.00 0.00 O ATOM 1097 CB LYS A 67 1.929 14.064 -9.824 1.00 0.00 C ATOM 1098 CG LYS A 67 3.328 13.956 -10.434 1.00 0.00 C ATOM 1099 CD LYS A 67 4.319 14.759 -9.589 1.00 0.00 C ATOM 1100 CE LYS A 67 5.707 14.124 -9.685 1.00 0.00 C ATOM 1101 NZ LYS A 67 6.141 14.361 -11.089 1.00 0.00 N ATOM 0 H LYS A 67 1.669 11.641 -10.147 1.00 0.00 H new ATOM 0 HA LYS A 67 2.692 13.260 -7.952 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.176 13.794 -10.564 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.729 15.094 -9.527 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.636 12.911 -10.480 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.320 14.331 -11.457 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.356 15.792 -9.936 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.990 14.784 -8.550 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.399 14.578 -8.976 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.671 13.059 -9.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.166 14.206 -11.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.642 13.704 -11.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.918 15.340 -11.361 1.00 0.00 H new ATOM 1115 N SER A 68 -0.598 13.052 -8.259 1.00 0.00 N ATOM 1116 CA SER A 68 -1.852 13.343 -7.477 1.00 0.00 C ATOM 1117 C SER A 68 -1.810 12.589 -6.140 1.00 0.00 C ATOM 1118 O SER A 68 -2.186 13.126 -5.114 1.00 0.00 O ATOM 1119 CB SER A 68 -3.033 12.850 -8.327 1.00 0.00 C ATOM 1120 OG SER A 68 -4.140 12.575 -7.479 1.00 0.00 O ATOM 0 H SER A 68 -0.734 12.542 -9.132 1.00 0.00 H new ATOM 0 HA SER A 68 -1.949 14.407 -7.263 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.304 13.605 -9.065 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.750 11.953 -8.877 1.00 0.00 H new ATOM 0 HG SER A 68 -4.896 12.262 -8.019 1.00 0.00 H new ATOM 1126 N LEU A 69 -1.347 11.352 -6.136 1.00 0.00 N ATOM 1127 CA LEU A 69 -1.283 10.589 -4.838 1.00 0.00 C ATOM 1128 C LEU A 69 -0.315 11.291 -3.876 1.00 0.00 C ATOM 1129 O LEU A 69 -0.598 11.425 -2.700 1.00 0.00 O ATOM 1130 CB LEU A 69 -0.771 9.178 -5.173 1.00 0.00 C ATOM 1131 CG LEU A 69 -1.959 8.272 -5.502 1.00 0.00 C ATOM 1132 CD1 LEU A 69 -1.448 6.924 -6.012 1.00 0.00 C ATOM 1133 CD2 LEU A 69 -2.798 8.054 -4.241 1.00 0.00 C ATOM 0 H LEU A 69 -1.017 10.847 -6.958 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.260 10.540 -4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.085 9.219 -6.019 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.212 8.772 -4.330 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.572 8.742 -6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.295 6.279 -6.246 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.850 7.078 -6.910 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.835 6.453 -5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.645 7.409 -4.474 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.184 7.584 -3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.163 9.014 -3.877 1.00 0.00 H new ATOM 1145 N SER A 70 0.822 11.753 -4.363 1.00 0.00 N ATOM 1146 CA SER A 70 1.788 12.458 -3.444 1.00 0.00 C ATOM 1147 C SER A 70 1.128 13.726 -2.885 1.00 0.00 C ATOM 1148 O SER A 70 1.225 14.007 -1.705 1.00 0.00 O ATOM 1149 CB SER A 70 3.019 12.825 -4.286 1.00 0.00 C ATOM 1150 OG SER A 70 3.798 11.659 -4.514 1.00 0.00 O ATOM 0 H SER A 70 1.119 11.675 -5.336 1.00 0.00 H new ATOM 0 HA SER A 70 2.073 11.825 -2.604 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.707 13.259 -5.236 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.614 13.579 -3.771 1.00 0.00 H new ATOM 0 HG SER A 70 4.583 11.890 -5.053 1.00 0.00 H new ATOM 1156 N ASP A 71 0.441 14.486 -3.716 1.00 0.00 N ATOM 1157 CA ASP A 71 -0.239 15.729 -3.196 1.00 0.00 C ATOM 1158 C ASP A 71 -1.424 15.366 -2.276 1.00 0.00 C ATOM 1159 O ASP A 71 -1.873 16.194 -1.505 1.00 0.00 O ATOM 1160 CB ASP A 71 -0.736 16.510 -4.422 1.00 0.00 C ATOM 1161 CG ASP A 71 0.435 17.266 -5.055 1.00 0.00 C ATOM 1162 OD1 ASP A 71 1.235 16.629 -5.720 1.00 0.00 O ATOM 1163 OD2 ASP A 71 0.510 18.469 -4.863 1.00 0.00 O ATOM 0 H ASP A 71 0.322 14.306 -4.713 1.00 0.00 H new ATOM 0 HA ASP A 71 0.455 16.325 -2.604 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.176 15.826 -5.148 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.518 17.210 -4.128 1.00 0.00 H new ATOM 1168 N MET A 72 -1.919 14.139 -2.314 1.00 0.00 N ATOM 1169 CA MET A 72 -3.045 13.764 -1.396 1.00 0.00 C ATOM 1170 C MET A 72 -2.424 13.275 -0.087 1.00 0.00 C ATOM 1171 O MET A 72 -2.839 13.661 0.987 1.00 0.00 O ATOM 1172 CB MET A 72 -3.824 12.635 -2.088 1.00 0.00 C ATOM 1173 CG MET A 72 -5.103 12.342 -1.301 1.00 0.00 C ATOM 1174 SD MET A 72 -5.746 10.719 -1.779 1.00 0.00 S ATOM 1175 CE MET A 72 -4.525 9.722 -0.890 1.00 0.00 C ATOM 0 H MET A 72 -1.594 13.396 -2.933 1.00 0.00 H new ATOM 0 HA MET A 72 -3.716 14.596 -1.183 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.071 12.922 -3.110 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.208 11.738 -2.149 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.897 12.363 -0.231 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.848 13.113 -1.497 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.031 9.045 -1.587 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.783 10.377 -0.433 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.024 9.142 -0.114 1.00 0.00 H new ATOM 1185 N THR A 73 -1.393 12.451 -0.173 1.00 0.00 N ATOM 1186 CA THR A 73 -0.706 11.968 1.076 1.00 0.00 C ATOM 1187 C THR A 73 -0.251 13.196 1.909 1.00 0.00 C ATOM 1188 O THR A 73 -0.320 13.178 3.123 1.00 0.00 O ATOM 1189 CB THR A 73 0.492 11.106 0.578 1.00 0.00 C ATOM 1190 OG1 THR A 73 0.052 9.769 0.395 1.00 0.00 O ATOM 1191 CG2 THR A 73 1.653 11.114 1.573 1.00 0.00 C ATOM 0 H THR A 73 -1.003 12.097 -1.047 1.00 0.00 H new ATOM 0 HA THR A 73 -1.349 11.375 1.726 1.00 0.00 H new ATOM 0 HB THR A 73 0.848 11.533 -0.359 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.799 9.219 0.080 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.467 10.501 1.187 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.004 12.136 1.714 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.316 10.711 2.528 1.00 0.00 H new ATOM 1199 N ALA A 74 0.201 14.262 1.266 1.00 0.00 N ATOM 1200 CA ALA A 74 0.638 15.474 2.054 1.00 0.00 C ATOM 1201 C ALA A 74 -0.537 16.003 2.896 1.00 0.00 C ATOM 1202 O ALA A 74 -0.352 16.423 4.024 1.00 0.00 O ATOM 1203 CB ALA A 74 1.075 16.535 1.031 1.00 0.00 C ATOM 0 H ALA A 74 0.285 14.344 0.253 1.00 0.00 H new ATOM 0 HA ALA A 74 1.454 15.228 2.734 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.401 17.433 1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.898 16.146 0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.236 16.779 0.379 1.00 0.00 H new ATOM 1209 N LYS A 75 -1.746 15.978 2.366 1.00 0.00 N ATOM 1210 CA LYS A 75 -2.923 16.473 3.162 1.00 0.00 C ATOM 1211 C LYS A 75 -3.562 15.316 3.955 1.00 0.00 C ATOM 1212 O LYS A 75 -4.082 15.523 5.036 1.00 0.00 O ATOM 1213 CB LYS A 75 -3.923 17.038 2.142 1.00 0.00 C ATOM 1214 CG LYS A 75 -3.487 18.443 1.723 1.00 0.00 C ATOM 1215 CD LYS A 75 -3.923 18.705 0.281 1.00 0.00 C ATOM 1216 CE LYS A 75 -5.306 19.361 0.276 1.00 0.00 C ATOM 1217 NZ LYS A 75 -5.037 20.825 0.297 1.00 0.00 N ATOM 0 H LYS A 75 -1.965 15.640 1.429 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.621 17.231 3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.975 16.387 1.269 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.922 17.070 2.576 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.928 19.185 2.388 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.405 18.540 1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.200 19.352 -0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.951 17.769 -0.277 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.875 19.077 -0.609 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.891 19.055 1.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.938 21.344 0.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.500 21.067 1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.484 21.088 -0.544 1.00 0.00 H new ATOM 1231 N GLU A 76 -3.524 14.097 3.441 1.00 0.00 N ATOM 1232 CA GLU A 76 -4.133 12.945 4.202 1.00 0.00 C ATOM 1233 C GLU A 76 -3.398 12.694 5.536 1.00 0.00 C ATOM 1234 O GLU A 76 -3.932 12.036 6.410 1.00 0.00 O ATOM 1235 CB GLU A 76 -4.012 11.707 3.299 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.106 10.702 3.662 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.390 11.050 2.907 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -6.719 12.223 2.845 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -7.024 10.137 2.403 1.00 0.00 O ATOM 0 H GLU A 76 -3.105 13.854 2.543 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.171 13.167 4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.103 11.997 2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.030 11.251 3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.785 9.692 3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.288 10.719 4.737 1.00 0.00 H new ATOM 1246 N LYS A 77 -2.181 13.192 5.715 1.00 0.00 N ATOM 1247 CA LYS A 77 -1.444 12.949 6.998 1.00 0.00 C ATOM 1248 C LYS A 77 -1.238 11.442 7.193 1.00 0.00 C ATOM 1249 O LYS A 77 -1.480 10.912 8.260 1.00 0.00 O ATOM 1250 CB LYS A 77 -2.320 13.529 8.119 1.00 0.00 C ATOM 1251 CG LYS A 77 -1.427 14.169 9.185 1.00 0.00 C ATOM 1252 CD LYS A 77 -1.287 15.666 8.905 1.00 0.00 C ATOM 1253 CE LYS A 77 0.049 16.167 9.459 1.00 0.00 C ATOM 1254 NZ LYS A 77 1.001 16.060 8.319 1.00 0.00 N ATOM 0 H LYS A 77 -1.677 13.752 5.027 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.461 13.419 6.997 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.007 14.271 7.711 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.928 12.742 8.564 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.856 14.012 10.175 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.445 13.695 9.184 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.341 15.853 7.832 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.111 16.211 9.365 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.030 17.195 9.812 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.377 15.564 10.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.942 16.386 8.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.061 15.069 8.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.666 16.650 7.531 1.00 0.00 H new ATOM 1268 N PHE A 78 -0.794 10.743 6.163 1.00 0.00 N ATOM 1269 CA PHE A 78 -0.575 9.255 6.302 1.00 0.00 C ATOM 1270 C PHE A 78 0.388 8.963 7.462 1.00 0.00 C ATOM 1271 O PHE A 78 0.755 9.856 8.204 1.00 0.00 O ATOM 1272 CB PHE A 78 0.007 8.755 4.963 1.00 0.00 C ATOM 1273 CG PHE A 78 -1.108 8.137 4.150 1.00 0.00 C ATOM 1274 CD1 PHE A 78 -1.874 7.102 4.700 1.00 0.00 C ATOM 1275 CD2 PHE A 78 -1.385 8.602 2.859 1.00 0.00 C ATOM 1276 CE1 PHE A 78 -2.914 6.531 3.960 1.00 0.00 C ATOM 1277 CE2 PHE A 78 -2.429 8.030 2.119 1.00 0.00 C ATOM 1278 CZ PHE A 78 -3.193 6.993 2.671 1.00 0.00 C ATOM 0 H PHE A 78 -0.577 11.131 5.245 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.511 8.742 6.524 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.460 9.582 4.416 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.794 8.023 5.143 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.661 6.744 5.697 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.795 9.400 2.434 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.503 5.732 4.385 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.645 8.389 1.123 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.997 6.551 2.101 1.00 0.00 H new ATOM 1288 N SER A 79 0.798 7.725 7.634 1.00 0.00 N ATOM 1289 CA SER A 79 1.721 7.401 8.753 1.00 0.00 C ATOM 1290 C SER A 79 3.135 7.226 8.204 1.00 0.00 C ATOM 1291 O SER A 79 3.362 7.467 7.033 1.00 0.00 O ATOM 1292 CB SER A 79 1.181 6.098 9.357 1.00 0.00 C ATOM 1293 OG SER A 79 1.920 4.994 8.845 1.00 0.00 O ATOM 0 H SER A 79 0.531 6.935 7.047 1.00 0.00 H new ATOM 0 HA SER A 79 1.770 8.185 9.509 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.259 6.129 10.444 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.124 5.984 9.117 1.00 0.00 H new ATOM 0 HG SER A 79 1.577 4.753 7.959 1.00 0.00 H new ATOM 1299 N PRO A 80 4.056 6.807 9.045 1.00 0.00 N ATOM 1300 CA PRO A 80 5.438 6.612 8.570 1.00 0.00 C ATOM 1301 C PRO A 80 5.571 5.355 7.690 1.00 0.00 C ATOM 1302 O PRO A 80 6.598 5.157 7.068 1.00 0.00 O ATOM 1303 CB PRO A 80 6.247 6.486 9.848 1.00 0.00 C ATOM 1304 CG PRO A 80 5.287 6.009 10.886 1.00 0.00 C ATOM 1305 CD PRO A 80 3.917 6.481 10.479 1.00 0.00 C ATOM 0 HA PRO A 80 5.778 7.431 7.937 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.070 5.783 9.723 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.686 7.443 10.130 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.312 4.922 10.962 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.554 6.403 11.866 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.165 5.708 10.640 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.608 7.352 11.057 1.00 0.00 H new ATOM 1313 N LEU A 81 4.552 4.513 7.599 1.00 0.00 N ATOM 1314 CA LEU A 81 4.669 3.317 6.728 1.00 0.00 C ATOM 1315 C LEU A 81 3.615 3.370 5.615 1.00 0.00 C ATOM 1316 O LEU A 81 3.210 2.342 5.104 1.00 0.00 O ATOM 1317 CB LEU A 81 4.416 2.126 7.650 1.00 0.00 C ATOM 1318 CG LEU A 81 5.764 1.579 8.146 1.00 0.00 C ATOM 1319 CD1 LEU A 81 5.657 1.192 9.621 1.00 0.00 C ATOM 1320 CD2 LEU A 81 6.154 0.347 7.323 1.00 0.00 C ATOM 0 H LEU A 81 3.663 4.613 8.089 1.00 0.00 H new ATOM 0 HA LEU A 81 5.643 3.254 6.242 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.799 2.430 8.496 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.867 1.349 7.118 1.00 0.00 H new ATOM 0 HG LEU A 81 6.525 2.350 8.031 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.616 0.805 9.966 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.387 2.069 10.209 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.892 0.425 9.741 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.110 -0.039 7.677 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.389 -0.422 7.434 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.241 0.624 6.272 1.00 0.00 H new ATOM 1332 N THR A 82 3.167 4.553 5.219 1.00 0.00 N ATOM 1333 CA THR A 82 2.154 4.618 4.135 1.00 0.00 C ATOM 1334 C THR A 82 2.510 5.669 3.063 1.00 0.00 C ATOM 1335 O THR A 82 1.654 6.085 2.305 1.00 0.00 O ATOM 1336 CB THR A 82 0.825 4.945 4.833 1.00 0.00 C ATOM 1337 OG1 THR A 82 0.828 4.400 6.160 1.00 0.00 O ATOM 1338 CG2 THR A 82 -0.315 4.323 4.008 1.00 0.00 C ATOM 0 H THR A 82 3.462 5.452 5.601 1.00 0.00 H new ATOM 0 HA THR A 82 2.101 3.674 3.592 1.00 0.00 H new ATOM 0 HB THR A 82 0.688 6.024 4.904 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.465 3.490 6.141 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.270 4.542 4.485 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.307 4.742 3.002 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.177 3.243 3.952 1.00 0.00 H new ATOM 1346 N SER A 83 3.767 6.061 2.945 1.00 0.00 N ATOM 1347 CA SER A 83 4.152 7.024 1.872 1.00 0.00 C ATOM 1348 C SER A 83 5.321 6.408 1.097 1.00 0.00 C ATOM 1349 O SER A 83 6.340 7.025 0.855 1.00 0.00 O ATOM 1350 CB SER A 83 4.553 8.319 2.578 1.00 0.00 C ATOM 1351 OG SER A 83 4.233 9.426 1.746 1.00 0.00 O ATOM 0 H SER A 83 4.531 5.753 3.546 1.00 0.00 H new ATOM 0 HA SER A 83 3.349 7.234 1.166 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.032 8.403 3.532 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.621 8.311 2.798 1.00 0.00 H new ATOM 0 HG SER A 83 4.488 10.258 2.197 1.00 0.00 H new ATOM 1357 N ASN A 84 5.143 5.174 0.711 1.00 0.00 N ATOM 1358 CA ASN A 84 6.179 4.416 -0.060 1.00 0.00 C ATOM 1359 C ASN A 84 5.449 3.251 -0.738 1.00 0.00 C ATOM 1360 O ASN A 84 5.414 3.145 -1.948 1.00 0.00 O ATOM 1361 CB ASN A 84 7.179 3.910 0.981 1.00 0.00 C ATOM 1362 CG ASN A 84 8.381 4.859 1.042 1.00 0.00 C ATOM 1363 OD1 ASN A 84 9.130 4.964 0.090 1.00 0.00 O ATOM 1364 ND2 ASN A 84 8.606 5.563 2.125 1.00 0.00 N ATOM 0 H ASN A 84 4.295 4.640 0.903 1.00 0.00 H new ATOM 0 HA ASN A 84 6.696 5.004 -0.818 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.702 3.848 1.959 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.510 2.904 0.724 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.406 6.195 2.166 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.981 5.479 2.927 1.00 0.00 H new ATOM 1371 N LEU A 85 4.787 2.422 0.056 1.00 0.00 N ATOM 1372 CA LEU A 85 3.969 1.319 -0.541 1.00 0.00 C ATOM 1373 C LEU A 85 2.920 1.937 -1.494 1.00 0.00 C ATOM 1374 O LEU A 85 2.516 1.300 -2.451 1.00 0.00 O ATOM 1375 CB LEU A 85 3.285 0.590 0.643 1.00 0.00 C ATOM 1376 CG LEU A 85 2.282 -0.453 0.132 1.00 0.00 C ATOM 1377 CD1 LEU A 85 3.001 -1.486 -0.741 1.00 0.00 C ATOM 1378 CD2 LEU A 85 1.635 -1.165 1.323 1.00 0.00 C ATOM 0 H LEU A 85 4.783 2.467 1.075 1.00 0.00 H new ATOM 0 HA LEU A 85 4.573 0.618 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.039 0.104 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.773 1.315 1.276 1.00 0.00 H new ATOM 0 HG LEU A 85 1.516 0.050 -0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.282 -2.223 -1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.463 -0.985 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.771 -1.986 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.922 -1.906 0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.406 -1.661 1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.116 -0.436 1.945 1.00 0.00 H new ATOM 1390 N ILE A 86 2.483 3.181 -1.269 1.00 0.00 N ATOM 1391 CA ILE A 86 1.484 3.778 -2.221 1.00 0.00 C ATOM 1392 C ILE A 86 2.130 3.902 -3.615 1.00 0.00 C ATOM 1393 O ILE A 86 1.478 3.685 -4.619 1.00 0.00 O ATOM 1394 CB ILE A 86 1.079 5.162 -1.663 1.00 0.00 C ATOM 1395 CG1 ILE A 86 0.266 4.950 -0.373 1.00 0.00 C ATOM 1396 CG2 ILE A 86 0.225 5.917 -2.700 1.00 0.00 C ATOM 1397 CD1 ILE A 86 -0.280 6.285 0.146 1.00 0.00 C ATOM 0 H ILE A 86 2.770 3.778 -0.494 1.00 0.00 H new ATOM 0 HA ILE A 86 0.596 3.153 -2.318 1.00 0.00 H new ATOM 0 HB ILE A 86 1.971 5.752 -1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.559 4.264 -0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.895 4.488 0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.056 6.891 -2.300 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.801 6.053 -3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.674 5.341 -2.919 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.852 6.114 1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.550 6.959 0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.927 6.732 -0.609 1.00 0.00 H new ATOM 1409 N ASN A 87 3.407 4.239 -3.692 1.00 0.00 N ATOM 1410 CA ASN A 87 4.069 4.355 -5.045 1.00 0.00 C ATOM 1411 C ASN A 87 3.858 3.054 -5.839 1.00 0.00 C ATOM 1412 O ASN A 87 3.376 3.080 -6.954 1.00 0.00 O ATOM 1413 CB ASN A 87 5.569 4.578 -4.791 1.00 0.00 C ATOM 1414 CG ASN A 87 6.177 5.359 -5.963 1.00 0.00 C ATOM 1415 OD1 ASN A 87 5.742 5.214 -7.089 1.00 0.00 O ATOM 1416 ND2 ASN A 87 7.170 6.189 -5.752 1.00 0.00 N ATOM 0 H ASN A 87 4.009 4.435 -2.893 1.00 0.00 H new ATOM 0 HA ASN A 87 3.646 5.177 -5.621 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.713 5.127 -3.861 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.076 3.620 -4.677 1.00 0.00 H new ATOM 0 HD21 ASN A 87 7.574 6.709 -6.531 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.538 6.314 -4.809 1.00 0.00 H new ATOM 1423 N LEU A 88 4.193 1.911 -5.264 1.00 0.00 N ATOM 1424 CA LEU A 88 3.987 0.604 -6.000 1.00 0.00 C ATOM 1425 C LEU A 88 2.540 0.513 -6.515 1.00 0.00 C ATOM 1426 O LEU A 88 2.299 0.060 -7.618 1.00 0.00 O ATOM 1427 CB LEU A 88 4.246 -0.522 -4.986 1.00 0.00 C ATOM 1428 CG LEU A 88 5.721 -0.528 -4.586 1.00 0.00 C ATOM 1429 CD1 LEU A 88 5.849 -0.954 -3.121 1.00 0.00 C ATOM 1430 CD2 LEU A 88 6.484 -1.514 -5.472 1.00 0.00 C ATOM 0 H LEU A 88 4.595 1.825 -4.330 1.00 0.00 H new ATOM 0 HA LEU A 88 4.658 0.528 -6.856 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.621 -0.381 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.973 -1.484 -5.419 1.00 0.00 H new ATOM 0 HG LEU A 88 6.137 0.471 -4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.901 -0.959 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.304 -0.253 -2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.434 -1.954 -2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.536 -1.519 -5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.069 -2.514 -5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.391 -1.212 -6.515 1.00 0.00 H new ATOM 1442 N LEU A 89 1.576 0.951 -5.727 1.00 0.00 N ATOM 1443 CA LEU A 89 0.147 0.892 -6.198 1.00 0.00 C ATOM 1444 C LEU A 89 -0.011 1.750 -7.461 1.00 0.00 C ATOM 1445 O LEU A 89 -0.671 1.353 -8.403 1.00 0.00 O ATOM 1446 CB LEU A 89 -0.725 1.448 -5.061 1.00 0.00 C ATOM 1447 CG LEU A 89 -1.159 0.299 -4.155 1.00 0.00 C ATOM 1448 CD1 LEU A 89 -1.779 0.856 -2.872 1.00 0.00 C ATOM 1449 CD2 LEU A 89 -2.189 -0.553 -4.895 1.00 0.00 C ATOM 0 H LEU A 89 1.714 1.340 -4.794 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.149 -0.128 -6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.167 2.189 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.599 1.954 -5.471 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.293 -0.310 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.087 0.031 -2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.045 1.469 -2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.648 1.465 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.506 -1.377 -4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.053 0.061 -5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.744 -0.951 -5.807 1.00 0.00 H new ATOM 1461 N ALA A 90 0.603 2.915 -7.498 1.00 0.00 N ATOM 1462 CA ALA A 90 0.491 3.775 -8.716 1.00 0.00 C ATOM 1463 C ALA A 90 1.819 3.786 -9.498 1.00 0.00 C ATOM 1464 O ALA A 90 2.126 4.752 -10.173 1.00 0.00 O ATOM 1465 CB ALA A 90 0.162 5.176 -8.195 1.00 0.00 C ATOM 0 H ALA A 90 1.170 3.300 -6.743 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.273 3.407 -9.401 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.065 5.863 -9.035 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.776 5.147 -7.640 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.962 5.517 -7.538 1.00 0.00 H new ATOM 1471 N GLU A 91 2.610 2.727 -9.427 1.00 0.00 N ATOM 1472 CA GLU A 91 3.902 2.711 -10.184 1.00 0.00 C ATOM 1473 C GLU A 91 3.962 1.480 -11.104 1.00 0.00 C ATOM 1474 O GLU A 91 4.102 1.613 -12.306 1.00 0.00 O ATOM 1475 CB GLU A 91 4.997 2.644 -9.114 1.00 0.00 C ATOM 1476 CG GLU A 91 6.375 2.612 -9.781 1.00 0.00 C ATOM 1477 CD GLU A 91 7.444 2.308 -8.729 1.00 0.00 C ATOM 1478 OE1 GLU A 91 7.465 2.991 -7.719 1.00 0.00 O ATOM 1479 OE2 GLU A 91 8.223 1.396 -8.951 1.00 0.00 O ATOM 0 H GLU A 91 2.413 1.887 -8.883 1.00 0.00 H new ATOM 0 HA GLU A 91 4.017 3.588 -10.821 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.924 3.507 -8.452 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.861 1.756 -8.497 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.394 1.854 -10.564 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.582 3.570 -10.259 1.00 0.00 H new ATOM 1486 N ASN A 92 3.853 0.285 -10.559 1.00 0.00 N ATOM 1487 CA ASN A 92 3.899 -0.939 -11.433 1.00 0.00 C ATOM 1488 C ASN A 92 2.509 -1.210 -12.026 1.00 0.00 C ATOM 1489 O ASN A 92 2.388 -1.589 -13.176 1.00 0.00 O ATOM 1490 CB ASN A 92 4.336 -2.105 -10.532 1.00 0.00 C ATOM 1491 CG ASN A 92 5.213 -3.072 -11.336 1.00 0.00 C ATOM 1492 OD1 ASN A 92 6.274 -2.702 -11.797 1.00 0.00 O ATOM 1493 ND2 ASN A 92 4.817 -4.308 -11.529 1.00 0.00 N ATOM 0 H ASN A 92 3.736 0.106 -9.562 1.00 0.00 H new ATOM 0 HA ASN A 92 4.592 -0.809 -12.264 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.888 -1.727 -9.672 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.461 -2.627 -10.145 1.00 0.00 H new ATOM 0 HD21 ASN A 92 5.399 -4.952 -12.064 1.00 0.00 H new ATOM 0 HD22 ASN A 92 3.927 -4.624 -11.144 1.00 0.00 H new ATOM 1500 N GLY A 93 1.456 -1.017 -11.257 1.00 0.00 N ATOM 1501 CA GLY A 93 0.085 -1.263 -11.792 1.00 0.00 C ATOM 1502 C GLY A 93 -0.721 -2.091 -10.783 1.00 0.00 C ATOM 1503 O GLY A 93 -1.165 -3.182 -11.092 1.00 0.00 O ATOM 0 H GLY A 93 1.493 -0.701 -10.288 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.417 -0.315 -11.983 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.145 -1.790 -12.745 1.00 0.00 H new ATOM 1507 N ARG A 94 -0.920 -1.590 -9.579 1.00 0.00 N ATOM 1508 CA ARG A 94 -1.703 -2.366 -8.569 1.00 0.00 C ATOM 1509 C ARG A 94 -2.887 -1.547 -8.012 1.00 0.00 C ATOM 1510 O ARG A 94 -3.410 -1.873 -6.962 1.00 0.00 O ATOM 1511 CB ARG A 94 -0.702 -2.687 -7.459 1.00 0.00 C ATOM 1512 CG ARG A 94 0.053 -3.969 -7.810 1.00 0.00 C ATOM 1513 CD ARG A 94 -0.812 -5.183 -7.462 1.00 0.00 C ATOM 1514 NE ARG A 94 -0.125 -6.341 -8.097 1.00 0.00 N ATOM 1515 CZ ARG A 94 -0.551 -6.808 -9.238 1.00 0.00 C ATOM 1516 NH1 ARG A 94 -1.742 -7.334 -9.323 1.00 0.00 N ATOM 1517 NH2 ARG A 94 0.213 -6.749 -10.294 1.00 0.00 N ATOM 0 H ARG A 94 -0.575 -0.685 -9.260 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.142 -3.262 -9.008 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -0.001 -1.861 -7.337 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.222 -2.807 -6.509 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.301 -3.978 -8.871 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.994 -4.011 -7.262 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.891 -5.315 -6.383 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.826 -5.068 -7.845 1.00 0.00 H new ATOM 0 HE ARG A 94 0.680 -6.770 -7.639 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -2.339 -7.380 -8.498 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.076 -7.699 -10.215 1.00 0.00 H new ATOM 0 HH21 ARG A 94 1.144 -6.338 -10.228 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -0.121 -7.114 -11.186 1.00 0.00 H new ATOM 1531 N LEU A 95 -3.343 -0.512 -8.702 1.00 0.00 N ATOM 1532 CA LEU A 95 -4.517 0.263 -8.180 1.00 0.00 C ATOM 1533 C LEU A 95 -5.786 -0.286 -8.842 1.00 0.00 C ATOM 1534 O LEU A 95 -6.316 0.270 -9.784 1.00 0.00 O ATOM 1535 CB LEU A 95 -4.275 1.735 -8.538 1.00 0.00 C ATOM 1536 CG LEU A 95 -3.373 2.375 -7.476 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -2.817 3.700 -8.002 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -4.182 2.638 -6.203 1.00 0.00 C ATOM 0 H LEU A 95 -2.957 -0.181 -9.586 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.637 0.173 -7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.809 1.810 -9.520 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -5.224 2.268 -8.594 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.550 1.697 -7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.176 4.152 -7.245 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.237 3.518 -8.906 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.641 4.376 -8.230 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.538 3.093 -5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.008 3.312 -6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.577 1.696 -5.822 1.00 0.00 H new ATOM 1550 N THR A 96 -6.259 -1.393 -8.333 1.00 0.00 N ATOM 1551 CA THR A 96 -7.494 -2.054 -8.881 1.00 0.00 C ATOM 1552 C THR A 96 -7.994 -3.043 -7.819 1.00 0.00 C ATOM 1553 O THR A 96 -9.102 -2.938 -7.329 1.00 0.00 O ATOM 1554 CB THR A 96 -7.047 -2.793 -10.146 1.00 0.00 C ATOM 1555 OG1 THR A 96 -5.922 -2.132 -10.712 1.00 0.00 O ATOM 1556 CG2 THR A 96 -8.193 -2.809 -11.157 1.00 0.00 C ATOM 0 H THR A 96 -5.836 -1.881 -7.544 1.00 0.00 H new ATOM 0 HA THR A 96 -8.296 -1.354 -9.116 1.00 0.00 H new ATOM 0 HB THR A 96 -6.773 -3.817 -9.891 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.636 -2.607 -11.520 1.00 0.00 H new ATOM 0 HG21 THR A 96 -7.876 -3.335 -12.058 1.00 0.00 H new ATOM 0 HG22 THR A 96 -9.054 -3.318 -10.723 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.468 -1.785 -11.412 1.00 0.00 H new ATOM 1564 N ASN A 97 -7.131 -3.955 -7.400 1.00 0.00 N ATOM 1565 CA ASN A 97 -7.504 -4.887 -6.301 1.00 0.00 C ATOM 1566 C ASN A 97 -6.868 -4.383 -4.978 1.00 0.00 C ATOM 1567 O ASN A 97 -6.602 -5.167 -4.088 1.00 0.00 O ATOM 1568 CB ASN A 97 -6.920 -6.249 -6.695 1.00 0.00 C ATOM 1569 CG ASN A 97 -7.673 -6.796 -7.914 1.00 0.00 C ATOM 1570 OD1 ASN A 97 -8.625 -7.536 -7.766 1.00 0.00 O ATOM 1571 ND2 ASN A 97 -7.289 -6.466 -9.122 1.00 0.00 N ATOM 0 H ASN A 97 -6.192 -4.084 -7.778 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.582 -4.952 -6.153 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.859 -6.149 -6.925 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.001 -6.946 -5.861 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.789 -6.830 -9.933 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.490 -5.845 -9.251 1.00 0.00 H new ATOM 1578 N THR A 98 -6.610 -3.073 -4.848 1.00 0.00 N ATOM 1579 CA THR A 98 -5.984 -2.511 -3.590 1.00 0.00 C ATOM 1580 C THR A 98 -6.530 -3.159 -2.301 1.00 0.00 C ATOM 1581 O THR A 98 -5.748 -3.591 -1.476 1.00 0.00 O ATOM 1582 CB THR A 98 -6.301 -1.007 -3.600 1.00 0.00 C ATOM 1583 OG1 THR A 98 -7.578 -0.794 -4.186 1.00 0.00 O ATOM 1584 CG2 THR A 98 -5.240 -0.266 -4.412 1.00 0.00 C ATOM 0 H THR A 98 -6.811 -2.378 -5.567 1.00 0.00 H new ATOM 0 HA THR A 98 -4.914 -2.717 -3.588 1.00 0.00 H new ATOM 0 HB THR A 98 -6.303 -0.632 -2.577 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.780 0.165 -4.190 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.466 0.800 -4.418 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.260 -0.427 -3.963 1.00 0.00 H new ATOM 0 HG23 THR A 98 -5.236 -0.642 -5.435 1.00 0.00 H new ATOM 1592 N PRO A 99 -7.840 -3.221 -2.147 1.00 0.00 N ATOM 1593 CA PRO A 99 -8.410 -3.840 -0.919 1.00 0.00 C ATOM 1594 C PRO A 99 -7.976 -5.311 -0.804 1.00 0.00 C ATOM 1595 O PRO A 99 -7.748 -5.799 0.287 1.00 0.00 O ATOM 1596 CB PRO A 99 -9.920 -3.685 -1.101 1.00 0.00 C ATOM 1597 CG PRO A 99 -10.103 -3.538 -2.573 1.00 0.00 C ATOM 1598 CD PRO A 99 -8.906 -2.760 -3.051 1.00 0.00 C ATOM 0 HA PRO A 99 -8.067 -3.373 0.004 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.457 -4.553 -0.719 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.298 -2.814 -0.565 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.159 -4.511 -3.061 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -11.030 -3.013 -2.803 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.674 -2.975 -4.094 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -9.065 -1.684 -2.975 1.00 0.00 H new ATOM 1606 N ALA A 100 -7.825 -6.018 -1.909 1.00 0.00 N ATOM 1607 CA ALA A 100 -7.363 -7.449 -1.811 1.00 0.00 C ATOM 1608 C ALA A 100 -5.955 -7.478 -1.192 1.00 0.00 C ATOM 1609 O ALA A 100 -5.655 -8.317 -0.364 1.00 0.00 O ATOM 1610 CB ALA A 100 -7.329 -8.010 -3.242 1.00 0.00 C ATOM 0 H ALA A 100 -7.997 -5.675 -2.854 1.00 0.00 H new ATOM 0 HA ALA A 100 -8.028 -8.045 -1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.998 -9.048 -3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.327 -7.957 -3.677 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.638 -7.423 -3.847 1.00 0.00 H new ATOM 1616 N VAL A 101 -5.091 -6.551 -1.572 1.00 0.00 N ATOM 1617 CA VAL A 101 -3.708 -6.527 -0.970 1.00 0.00 C ATOM 1618 C VAL A 101 -3.798 -6.141 0.517 1.00 0.00 C ATOM 1619 O VAL A 101 -3.060 -6.660 1.336 1.00 0.00 O ATOM 1620 CB VAL A 101 -2.905 -5.467 -1.750 1.00 0.00 C ATOM 1621 CG1 VAL A 101 -1.480 -5.370 -1.187 1.00 0.00 C ATOM 1622 CG2 VAL A 101 -2.847 -5.861 -3.229 1.00 0.00 C ATOM 0 H VAL A 101 -5.280 -5.823 -2.261 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.227 -7.503 -1.035 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.394 -4.498 -1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.919 -4.619 -1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.523 -5.086 -0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.985 -6.336 -1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.280 -5.113 -3.783 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.361 -6.832 -3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.859 -5.919 -3.630 1.00 0.00 H new ATOM 1632 N ILE A 102 -4.695 -5.242 0.880 1.00 0.00 N ATOM 1633 CA ILE A 102 -4.808 -4.848 2.331 1.00 0.00 C ATOM 1634 C ILE A 102 -5.359 -6.029 3.152 1.00 0.00 C ATOM 1635 O ILE A 102 -4.948 -6.241 4.277 1.00 0.00 O ATOM 1636 CB ILE A 102 -5.776 -3.648 2.396 1.00 0.00 C ATOM 1637 CG1 ILE A 102 -5.219 -2.494 1.555 1.00 0.00 C ATOM 1638 CG2 ILE A 102 -5.931 -3.180 3.847 1.00 0.00 C ATOM 1639 CD1 ILE A 102 -6.374 -1.701 0.941 1.00 0.00 C ATOM 0 H ILE A 102 -5.342 -4.772 0.247 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.836 -4.580 2.745 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.747 -3.954 2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.606 -1.841 2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -4.573 -2.883 0.768 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.616 -2.333 3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.329 -3.995 4.452 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -4.959 -2.879 4.238 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.975 -0.881 0.344 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -6.969 -2.357 0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -7.002 -1.299 1.736 1.00 0.00 H new ATOM 1651 N SER A 103 -6.282 -6.805 2.607 1.00 0.00 N ATOM 1652 CA SER A 103 -6.833 -7.971 3.395 1.00 0.00 C ATOM 1653 C SER A 103 -5.688 -8.915 3.786 1.00 0.00 C ATOM 1654 O SER A 103 -5.600 -9.350 4.919 1.00 0.00 O ATOM 1655 CB SER A 103 -7.831 -8.697 2.480 1.00 0.00 C ATOM 1656 OG SER A 103 -9.104 -8.073 2.586 1.00 0.00 O ATOM 0 H SER A 103 -6.670 -6.686 1.671 1.00 0.00 H new ATOM 0 HA SER A 103 -7.322 -7.636 4.310 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.483 -8.667 1.447 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.903 -9.747 2.762 1.00 0.00 H new ATOM 0 HG SER A 103 -9.743 -8.532 2.002 1.00 0.00 H new ATOM 1662 N ALA A 104 -4.796 -9.222 2.864 1.00 0.00 N ATOM 1663 CA ALA A 104 -3.643 -10.128 3.219 1.00 0.00 C ATOM 1664 C ALA A 104 -2.823 -9.501 4.362 1.00 0.00 C ATOM 1665 O ALA A 104 -2.320 -10.200 5.221 1.00 0.00 O ATOM 1666 CB ALA A 104 -2.775 -10.260 1.957 1.00 0.00 C ATOM 0 H ALA A 104 -4.813 -8.892 1.899 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.996 -11.104 3.552 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.925 -10.909 2.166 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.369 -10.689 1.150 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.415 -9.275 1.659 1.00 0.00 H new ATOM 1672 N PHE A 105 -2.689 -8.185 4.387 1.00 0.00 N ATOM 1673 CA PHE A 105 -1.901 -7.528 5.494 1.00 0.00 C ATOM 1674 C PHE A 105 -2.483 -7.924 6.859 1.00 0.00 C ATOM 1675 O PHE A 105 -1.750 -8.208 7.789 1.00 0.00 O ATOM 1676 CB PHE A 105 -2.045 -6.011 5.291 1.00 0.00 C ATOM 1677 CG PHE A 105 -1.083 -5.275 6.192 1.00 0.00 C ATOM 1678 CD1 PHE A 105 -1.288 -5.255 7.577 1.00 0.00 C ATOM 1679 CD2 PHE A 105 0.012 -4.604 5.642 1.00 0.00 C ATOM 1680 CE1 PHE A 105 -0.399 -4.567 8.405 1.00 0.00 C ATOM 1681 CE2 PHE A 105 0.900 -3.917 6.471 1.00 0.00 C ATOM 1682 CZ PHE A 105 0.695 -3.899 7.851 1.00 0.00 C ATOM 0 H PHE A 105 -3.086 -7.546 3.698 1.00 0.00 H new ATOM 0 HA PHE A 105 -0.856 -7.837 5.470 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.849 -5.755 4.250 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.068 -5.702 5.508 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -2.134 -5.772 8.005 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.172 -4.617 4.574 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.557 -4.551 9.473 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.746 -3.399 6.044 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.383 -3.368 8.492 1.00 0.00 H new ATOM 1692 N SER A 106 -3.796 -7.944 6.992 1.00 0.00 N ATOM 1693 CA SER A 106 -4.399 -8.325 8.319 1.00 0.00 C ATOM 1694 C SER A 106 -4.083 -9.793 8.633 1.00 0.00 C ATOM 1695 O SER A 106 -3.769 -10.130 9.760 1.00 0.00 O ATOM 1696 CB SER A 106 -5.916 -8.120 8.197 1.00 0.00 C ATOM 1697 OG SER A 106 -6.561 -8.714 9.316 1.00 0.00 O ATOM 0 H SER A 106 -4.464 -7.718 6.255 1.00 0.00 H new ATOM 0 HA SER A 106 -3.992 -7.716 9.126 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.148 -7.056 8.151 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.282 -8.566 7.272 1.00 0.00 H new ATOM 0 HG SER A 106 -7.530 -8.584 9.242 1.00 0.00 H new ATOM 1703 N THR A 107 -4.150 -10.670 7.651 1.00 0.00 N ATOM 1704 CA THR A 107 -3.832 -12.115 7.929 1.00 0.00 C ATOM 1705 C THR A 107 -2.330 -12.275 8.199 1.00 0.00 C ATOM 1706 O THR A 107 -1.937 -13.059 9.044 1.00 0.00 O ATOM 1707 CB THR A 107 -4.243 -12.912 6.679 1.00 0.00 C ATOM 1708 OG1 THR A 107 -5.607 -12.653 6.381 1.00 0.00 O ATOM 1709 CG2 THR A 107 -4.050 -14.407 6.939 1.00 0.00 C ATOM 0 H THR A 107 -4.406 -10.454 6.688 1.00 0.00 H new ATOM 0 HA THR A 107 -4.367 -12.476 8.807 1.00 0.00 H new ATOM 0 HB THR A 107 -3.623 -12.610 5.835 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.869 -13.159 5.584 1.00 0.00 H new ATOM 0 HG21 THR A 107 -4.341 -14.971 6.053 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.002 -14.604 7.167 1.00 0.00 H new ATOM 0 HG23 THR A 107 -4.668 -14.712 7.783 1.00 0.00 H new ATOM 1717 N MET A 108 -1.481 -11.534 7.509 1.00 0.00 N ATOM 1718 CA MET A 108 -0.009 -11.665 7.778 1.00 0.00 C ATOM 1719 C MET A 108 0.312 -11.116 9.176 1.00 0.00 C ATOM 1720 O MET A 108 1.160 -11.647 9.868 1.00 0.00 O ATOM 1721 CB MET A 108 0.718 -10.844 6.705 1.00 0.00 C ATOM 1722 CG MET A 108 0.492 -11.478 5.329 1.00 0.00 C ATOM 1723 SD MET A 108 1.292 -13.103 5.265 1.00 0.00 S ATOM 1724 CE MET A 108 -0.180 -14.094 5.614 1.00 0.00 C ATOM 0 H MET A 108 -1.739 -10.860 6.788 1.00 0.00 H new ATOM 0 HA MET A 108 0.307 -12.708 7.744 1.00 0.00 H new ATOM 0 HB2 MET A 108 0.351 -9.818 6.708 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.785 -10.802 6.926 1.00 0.00 H new ATOM 0 HG2 MET A 108 -0.576 -11.580 5.136 1.00 0.00 H new ATOM 0 HG3 MET A 108 0.896 -10.832 4.550 1.00 0.00 H new ATOM 0 HE1 MET A 108 -0.065 -14.589 6.578 1.00 0.00 H new ATOM 0 HE2 MET A 108 -1.057 -13.447 5.640 1.00 0.00 H new ATOM 0 HE3 MET A 108 -0.307 -14.845 4.834 1.00 0.00 H new ATOM 1734 N MET A 109 -0.364 -10.062 9.610 1.00 0.00 N ATOM 1735 CA MET A 109 -0.077 -9.513 10.984 1.00 0.00 C ATOM 1736 C MET A 109 -0.307 -10.610 12.033 1.00 0.00 C ATOM 1737 O MET A 109 0.468 -10.752 12.952 1.00 0.00 O ATOM 1738 CB MET A 109 -1.054 -8.348 11.212 1.00 0.00 C ATOM 1739 CG MET A 109 -0.768 -7.697 12.567 1.00 0.00 C ATOM 1740 SD MET A 109 -2.236 -6.796 13.125 1.00 0.00 S ATOM 1741 CE MET A 109 -2.876 -8.071 14.238 1.00 0.00 C ATOM 0 H MET A 109 -1.086 -9.570 9.083 1.00 0.00 H new ATOM 0 HA MET A 109 0.955 -9.173 11.069 1.00 0.00 H new ATOM 0 HB2 MET A 109 -0.951 -7.612 10.415 1.00 0.00 H new ATOM 0 HB3 MET A 109 -2.082 -8.710 11.181 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.496 -8.458 13.298 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.080 -7.017 12.484 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.798 -7.720 14.701 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.077 -8.981 13.672 1.00 0.00 H new ATOM 0 HE3 MET A 109 -2.139 -8.281 15.013 1.00 0.00 H new ATOM 1751 N SER A 110 -1.350 -11.405 11.905 1.00 0.00 N ATOM 1752 CA SER A 110 -1.566 -12.497 12.930 1.00 0.00 C ATOM 1753 C SER A 110 -0.332 -13.414 13.003 1.00 0.00 C ATOM 1754 O SER A 110 -0.003 -13.920 14.061 1.00 0.00 O ATOM 1755 CB SER A 110 -2.800 -13.293 12.483 1.00 0.00 C ATOM 1756 OG SER A 110 -3.884 -12.399 12.266 1.00 0.00 O ATOM 0 H SER A 110 -2.045 -11.353 11.160 1.00 0.00 H new ATOM 0 HA SER A 110 -1.718 -12.074 13.923 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.580 -13.844 11.569 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.067 -14.028 13.242 1.00 0.00 H new ATOM 0 HG SER A 110 -4.673 -12.905 11.979 1.00 0.00 H new ATOM 1762 N VAL A 111 0.367 -13.625 11.902 1.00 0.00 N ATOM 1763 CA VAL A 111 1.589 -14.503 11.959 1.00 0.00 C ATOM 1764 C VAL A 111 2.800 -13.743 12.548 1.00 0.00 C ATOM 1765 O VAL A 111 3.821 -14.348 12.822 1.00 0.00 O ATOM 1766 CB VAL A 111 1.883 -14.942 10.514 1.00 0.00 C ATOM 1767 CG1 VAL A 111 3.073 -15.904 10.501 1.00 0.00 C ATOM 1768 CG2 VAL A 111 0.655 -15.648 9.934 1.00 0.00 C ATOM 0 H VAL A 111 0.149 -13.235 10.985 1.00 0.00 H new ATOM 0 HA VAL A 111 1.412 -15.361 12.607 1.00 0.00 H new ATOM 0 HB VAL A 111 2.118 -14.064 9.912 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.279 -16.214 9.476 1.00 0.00 H new ATOM 0 HG12 VAL A 111 3.950 -15.404 10.913 1.00 0.00 H new ATOM 0 HG13 VAL A 111 2.839 -16.781 11.105 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.864 -15.959 8.910 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.420 -16.524 10.538 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.194 -14.965 9.940 1.00 0.00 H new ATOM 1778 N HIS A 112 2.712 -12.438 12.768 1.00 0.00 N ATOM 1779 CA HIS A 112 3.868 -11.705 13.356 1.00 0.00 C ATOM 1780 C HIS A 112 3.766 -11.722 14.904 1.00 0.00 C ATOM 1781 O HIS A 112 4.767 -11.608 15.587 1.00 0.00 O ATOM 1782 CB HIS A 112 3.797 -10.279 12.736 1.00 0.00 C ATOM 1783 CG HIS A 112 3.295 -9.246 13.715 1.00 0.00 C ATOM 1784 ND1 HIS A 112 2.012 -9.251 14.229 1.00 0.00 N ATOM 1785 CD2 HIS A 112 3.917 -8.187 14.284 1.00 0.00 C ATOM 1786 CE1 HIS A 112 1.910 -8.216 15.075 1.00 0.00 C ATOM 1787 NE2 HIS A 112 3.049 -7.527 15.149 1.00 0.00 N ATOM 0 H HIS A 112 1.893 -11.866 12.564 1.00 0.00 H new ATOM 0 HA HIS A 112 4.835 -12.155 13.133 1.00 0.00 H new ATOM 0 HB2 HIS A 112 4.787 -9.990 12.384 1.00 0.00 H new ATOM 0 HB3 HIS A 112 3.142 -10.298 11.865 1.00 0.00 H new ATOM 0 HD1 HIS A 112 1.276 -9.921 14.005 1.00 0.00 H new ATOM 0 HD2 HIS A 112 4.940 -7.896 14.094 1.00 0.00 H new ATOM 0 HE1 HIS A 112 1.016 -7.971 15.628 1.00 0.00 H new ATOM 1795 N ARG A 113 2.570 -11.865 15.464 1.00 0.00 N ATOM 1796 CA ARG A 113 2.452 -11.887 16.959 1.00 0.00 C ATOM 1797 C ARG A 113 2.462 -13.336 17.483 1.00 0.00 C ATOM 1798 O ARG A 113 2.960 -13.597 18.563 1.00 0.00 O ATOM 1799 CB ARG A 113 1.114 -11.208 17.288 1.00 0.00 C ATOM 1800 CG ARG A 113 1.029 -10.946 18.793 1.00 0.00 C ATOM 1801 CD ARG A 113 0.206 -9.681 19.044 1.00 0.00 C ATOM 1802 NE ARG A 113 -0.247 -9.791 20.458 1.00 0.00 N ATOM 1803 CZ ARG A 113 0.589 -9.555 21.433 1.00 0.00 C ATOM 1804 NH1 ARG A 113 1.289 -8.454 21.439 1.00 0.00 N ATOM 1805 NH2 ARG A 113 0.724 -10.420 22.400 1.00 0.00 N ATOM 0 H ARG A 113 1.692 -11.965 14.954 1.00 0.00 H new ATOM 0 HA ARG A 113 3.289 -11.372 17.430 1.00 0.00 H new ATOM 0 HB2 ARG A 113 1.026 -10.270 16.740 1.00 0.00 H new ATOM 0 HB3 ARG A 113 0.285 -11.841 16.971 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.570 -11.797 19.296 1.00 0.00 H new ATOM 0 HG3 ARG A 113 2.029 -10.831 19.210 1.00 0.00 H new ATOM 0 HD2 ARG A 113 0.805 -8.783 18.890 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -0.642 -9.620 18.362 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.211 -10.051 20.665 1.00 0.00 H new ATOM 0 HH11 ARG A 113 1.183 -7.778 20.682 1.00 0.00 H new ATOM 0 HH12 ARG A 113 1.942 -8.269 22.200 1.00 0.00 H new ATOM 0 HH21 ARG A 113 0.177 -11.281 22.395 1.00 0.00 H new ATOM 0 HH22 ARG A 113 1.377 -10.236 23.162 1.00 0.00 H new ATOM 1819 N GLY A 114 1.920 -14.285 16.738 1.00 0.00 N ATOM 1820 CA GLY A 114 1.912 -15.704 17.214 1.00 0.00 C ATOM 1821 C GLY A 114 3.348 -16.181 17.499 1.00 0.00 C ATOM 1822 O GLY A 114 3.575 -16.933 18.429 1.00 0.00 O ATOM 0 H GLY A 114 1.487 -14.132 15.827 1.00 0.00 H new ATOM 0 HA2 GLY A 114 1.308 -15.788 18.117 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.452 -16.344 16.462 1.00 0.00 H new ATOM 2000 N GLU B 7 9.900 -9.259 -6.252 1.00 0.00 N ATOM 2001 CA GLU B 7 9.613 -8.747 -4.872 1.00 0.00 C ATOM 2002 C GLU B 7 10.111 -7.302 -4.764 1.00 0.00 C ATOM 2003 O GLU B 7 10.966 -6.993 -3.955 1.00 0.00 O ATOM 2004 CB GLU B 7 10.366 -9.669 -3.901 1.00 0.00 C ATOM 2005 CG GLU B 7 9.518 -9.892 -2.648 1.00 0.00 C ATOM 2006 CD GLU B 7 8.473 -10.974 -2.924 1.00 0.00 C ATOM 2007 OE1 GLU B 7 8.869 -12.100 -3.179 1.00 0.00 O ATOM 2008 OE2 GLU B 7 7.295 -10.660 -2.877 1.00 0.00 O ATOM 0 HA GLU B 7 8.548 -8.749 -4.642 1.00 0.00 H new ATOM 0 HB2 GLU B 7 10.581 -10.623 -4.382 1.00 0.00 H new ATOM 0 HB3 GLU B 7 11.324 -9.225 -3.630 1.00 0.00 H new ATOM 0 HG2 GLU B 7 10.154 -10.190 -1.814 1.00 0.00 H new ATOM 0 HG3 GLU B 7 9.027 -8.963 -2.358 1.00 0.00 H new ATOM 2015 N VAL B 8 9.583 -6.413 -5.584 1.00 0.00 N ATOM 2016 CA VAL B 8 10.042 -4.975 -5.526 1.00 0.00 C ATOM 2017 C VAL B 8 9.821 -4.414 -4.113 1.00 0.00 C ATOM 2018 O VAL B 8 10.671 -3.726 -3.579 1.00 0.00 O ATOM 2019 CB VAL B 8 9.205 -4.195 -6.556 1.00 0.00 C ATOM 2020 CG1 VAL B 8 9.609 -2.718 -6.536 1.00 0.00 C ATOM 2021 CG2 VAL B 8 9.459 -4.769 -7.952 1.00 0.00 C ATOM 0 H VAL B 8 8.866 -6.614 -6.281 1.00 0.00 H new ATOM 0 HA VAL B 8 11.105 -4.889 -5.754 1.00 0.00 H new ATOM 0 HB VAL B 8 8.148 -4.285 -6.306 1.00 0.00 H new ATOM 0 HG11 VAL B 8 9.015 -2.168 -7.266 1.00 0.00 H new ATOM 0 HG12 VAL B 8 9.434 -2.306 -5.542 1.00 0.00 H new ATOM 0 HG13 VAL B 8 10.666 -2.627 -6.786 1.00 0.00 H new ATOM 0 HG21 VAL B 8 8.868 -4.219 -8.685 1.00 0.00 H new ATOM 0 HG22 VAL B 8 10.517 -4.676 -8.196 1.00 0.00 H new ATOM 0 HG23 VAL B 8 9.173 -5.821 -7.971 1.00 0.00 H new ATOM 2031 N SER B 9 8.698 -4.714 -3.494 1.00 0.00 N ATOM 2032 CA SER B 9 8.467 -4.197 -2.100 1.00 0.00 C ATOM 2033 C SER B 9 9.537 -4.778 -1.160 1.00 0.00 C ATOM 2034 O SER B 9 10.005 -4.104 -0.261 1.00 0.00 O ATOM 2035 CB SER B 9 7.068 -4.664 -1.671 1.00 0.00 C ATOM 2036 OG SER B 9 6.090 -3.823 -2.267 1.00 0.00 O ATOM 0 H SER B 9 7.946 -5.282 -3.883 1.00 0.00 H new ATOM 0 HA SER B 9 8.532 -3.110 -2.062 1.00 0.00 H new ATOM 0 HB2 SER B 9 6.908 -5.699 -1.974 1.00 0.00 H new ATOM 0 HB3 SER B 9 6.978 -4.633 -0.585 1.00 0.00 H new ATOM 0 HG SER B 9 5.437 -4.372 -2.749 1.00 0.00 H new ATOM 2042 N SER B 10 9.942 -6.019 -1.366 1.00 0.00 N ATOM 2043 CA SER B 10 10.999 -6.613 -0.475 1.00 0.00 C ATOM 2044 C SER B 10 12.329 -5.882 -0.698 1.00 0.00 C ATOM 2045 O SER B 10 12.929 -5.387 0.237 1.00 0.00 O ATOM 2046 CB SER B 10 11.134 -8.085 -0.883 1.00 0.00 C ATOM 2047 OG SER B 10 12.237 -8.665 -0.199 1.00 0.00 O ATOM 0 H SER B 10 9.592 -6.635 -2.100 1.00 0.00 H new ATOM 0 HA SER B 10 10.734 -6.520 0.578 1.00 0.00 H new ATOM 0 HB2 SER B 10 10.218 -8.626 -0.644 1.00 0.00 H new ATOM 0 HB3 SER B 10 11.278 -8.163 -1.961 1.00 0.00 H new ATOM 0 HG SER B 10 12.324 -9.606 -0.457 1.00 0.00 H new ATOM 2053 N ILE B 11 12.797 -5.805 -1.929 1.00 0.00 N ATOM 2054 CA ILE B 11 14.099 -5.089 -2.184 1.00 0.00 C ATOM 2055 C ILE B 11 13.984 -3.614 -1.745 1.00 0.00 C ATOM 2056 O ILE B 11 14.939 -3.040 -1.257 1.00 0.00 O ATOM 2057 CB ILE B 11 14.389 -5.201 -3.697 1.00 0.00 C ATOM 2058 CG1 ILE B 11 15.767 -4.613 -4.003 1.00 0.00 C ATOM 2059 CG2 ILE B 11 13.331 -4.444 -4.502 1.00 0.00 C ATOM 2060 CD1 ILE B 11 16.135 -4.913 -5.459 1.00 0.00 C ATOM 0 H ILE B 11 12.344 -6.199 -2.754 1.00 0.00 H new ATOM 0 HA ILE B 11 14.914 -5.533 -1.613 1.00 0.00 H new ATOM 0 HB ILE B 11 14.365 -6.254 -3.977 1.00 0.00 H new ATOM 0 HG12 ILE B 11 15.762 -3.537 -3.832 1.00 0.00 H new ATOM 0 HG13 ILE B 11 16.513 -5.039 -3.332 1.00 0.00 H new ATOM 0 HG21 ILE B 11 13.551 -4.533 -5.566 1.00 0.00 H new ATOM 0 HG22 ILE B 11 12.347 -4.867 -4.298 1.00 0.00 H new ATOM 0 HG23 ILE B 11 13.340 -3.392 -4.217 1.00 0.00 H new ATOM 0 HD11 ILE B 11 17.117 -4.495 -5.680 1.00 0.00 H new ATOM 0 HD12 ILE B 11 16.157 -5.992 -5.614 1.00 0.00 H new ATOM 0 HD13 ILE B 11 15.393 -4.466 -6.121 1.00 0.00 H new ATOM 2072 N LEU B 12 12.823 -2.997 -1.901 1.00 0.00 N ATOM 2073 CA LEU B 12 12.686 -1.561 -1.466 1.00 0.00 C ATOM 2074 C LEU B 12 12.767 -1.471 0.066 1.00 0.00 C ATOM 2075 O LEU B 12 13.355 -0.550 0.600 1.00 0.00 O ATOM 2076 CB LEU B 12 11.310 -1.078 -1.955 1.00 0.00 C ATOM 2077 CG LEU B 12 11.230 0.444 -1.828 1.00 0.00 C ATOM 2078 CD1 LEU B 12 12.031 1.095 -2.956 1.00 0.00 C ATOM 2079 CD2 LEU B 12 9.767 0.885 -1.923 1.00 0.00 C ATOM 0 H LEU B 12 11.984 -3.417 -2.302 1.00 0.00 H new ATOM 0 HA LEU B 12 13.484 -0.944 -1.880 1.00 0.00 H new ATOM 0 HB2 LEU B 12 11.155 -1.376 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU B 12 10.519 -1.545 -1.368 1.00 0.00 H new ATOM 0 HG LEU B 12 11.643 0.750 -0.867 1.00 0.00 H new ATOM 0 HD11 LEU B 12 11.973 2.180 -2.864 1.00 0.00 H new ATOM 0 HD12 LEU B 12 13.073 0.780 -2.891 1.00 0.00 H new ATOM 0 HD13 LEU B 12 11.619 0.790 -3.918 1.00 0.00 H new ATOM 0 HD21 LEU B 12 9.707 1.970 -1.833 1.00 0.00 H new ATOM 0 HD22 LEU B 12 9.356 0.578 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU B 12 9.194 0.422 -1.119 1.00 0.00 H new ATOM 2091 N GLU B 13 12.188 -2.419 0.782 1.00 0.00 N ATOM 2092 CA GLU B 13 12.258 -2.358 2.287 1.00 0.00 C ATOM 2093 C GLU B 13 13.715 -2.497 2.751 1.00 0.00 C ATOM 2094 O GLU B 13 14.135 -1.829 3.676 1.00 0.00 O ATOM 2095 CB GLU B 13 11.418 -3.531 2.820 1.00 0.00 C ATOM 2096 CG GLU B 13 11.319 -3.436 4.345 1.00 0.00 C ATOM 2097 CD GLU B 13 11.336 -4.842 4.949 1.00 0.00 C ATOM 2098 OE1 GLU B 13 10.797 -5.741 4.324 1.00 0.00 O ATOM 2099 OE2 GLU B 13 11.887 -4.996 6.027 1.00 0.00 O ATOM 0 H GLU B 13 11.680 -3.216 0.398 1.00 0.00 H new ATOM 0 HA GLU B 13 11.878 -1.406 2.659 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.422 -3.509 2.378 1.00 0.00 H new ATOM 0 HB3 GLU B 13 11.874 -4.479 2.533 1.00 0.00 H new ATOM 0 HG2 GLU B 13 12.150 -2.850 4.738 1.00 0.00 H new ATOM 0 HG3 GLU B 13 10.403 -2.918 4.629 1.00 0.00 H new ATOM 2106 N GLU B 14 14.496 -3.353 2.119 1.00 0.00 N ATOM 2107 CA GLU B 14 15.932 -3.507 2.552 1.00 0.00 C ATOM 2108 C GLU B 14 16.696 -2.193 2.315 1.00 0.00 C ATOM 2109 O GLU B 14 17.514 -1.796 3.124 1.00 0.00 O ATOM 2110 CB GLU B 14 16.538 -4.632 1.697 1.00 0.00 C ATOM 2111 CG GLU B 14 17.670 -5.310 2.471 1.00 0.00 C ATOM 2112 CD GLU B 14 17.082 -6.342 3.435 1.00 0.00 C ATOM 2113 OE1 GLU B 14 16.133 -7.007 3.053 1.00 0.00 O ATOM 2114 OE2 GLU B 14 17.591 -6.451 4.538 1.00 0.00 O ATOM 0 H GLU B 14 14.209 -3.941 1.337 1.00 0.00 H new ATOM 0 HA GLU B 14 15.998 -3.746 3.613 1.00 0.00 H new ATOM 0 HB2 GLU B 14 15.770 -5.362 1.441 1.00 0.00 H new ATOM 0 HB3 GLU B 14 16.917 -4.226 0.759 1.00 0.00 H new ATOM 0 HG2 GLU B 14 18.359 -5.794 1.779 1.00 0.00 H new ATOM 0 HG3 GLU B 14 18.244 -4.566 3.024 1.00 0.00 H new