USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 659 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 71 LYS NZ :NH3+ -123:sc= -2.77! (180deg=-6.87!) USER MOD Set 1.2: A 74 THR OG1 : rot -29:sc= -0.283 USER MOD Single : A 19 HIS : no HD1:sc= -0.401 X(o=-0.4,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -31:sc= 0.155 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot -70:sc= 1.59 USER MOD Single : A 62 HIS : no HD1:sc= -0.114 K(o=-0.11,f=-0.89) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0598 X(o=-0.06,f=-0.06) USER MOD Single : A 72 SER OG : rot -179:sc= 0.765 USER MOD Single : A 80 SER OG : rot 53:sc= 1.24 USER MOD Single : A 83 GLN : amide:sc= -0.0393 K(o=-0.039,f=-3.1!) USER MOD Single : A 84 LYS NZ :NH3+ -143:sc= -2.54 (180deg=-5.45!) USER MOD Single : A 85 ASN : amide:sc= 0.221 K(o=0.22,f=-0.79) USER MOD Single : A 86 LYS NZ :NH3+ -167:sc= 0.163 (180deg=0.00652) USER MOD Single : A 87 THR OG1 : rot 180:sc=0.000328 USER MOD Single : A 93 GLN : amide:sc= -0.0195 X(o=-0.019,f=0) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 98 MET CE :methyl -132:sc= -0.432 (180deg=-2.91!) USER MOD Single : A 100 HIS : no HD1:sc= -2.76 K(o=-2.8,f=-6.4!) USER MOD Single : A 105 HIS : no HD1:sc= -0.0925 X(o=-0.092,f=0.011) USER MOD Single : A 108 THR OG1 : rot -78:sc= 1.18 USER MOD Single : A 109 ASN : amide:sc= -0.807 K(o=-0.81,f=-2.4!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N HIS A 19 -2.094 -1.216 10.767 1.00 0.00 N ATOM 225 CA HIS A 19 -2.980 -1.539 9.651 1.00 0.00 C ATOM 226 C HIS A 19 -3.141 -3.046 9.470 1.00 0.00 C ATOM 227 O HIS A 19 -3.469 -3.505 8.387 1.00 0.00 O ATOM 228 CB HIS A 19 -2.465 -0.905 8.351 1.00 0.00 C ATOM 229 CG HIS A 19 -2.515 0.594 8.346 1.00 0.00 C ATOM 230 ND1 HIS A 19 -3.682 1.318 8.268 1.00 0.00 N ATOM 231 CD2 HIS A 19 -1.512 1.506 8.410 1.00 0.00 C ATOM 232 CE1 HIS A 19 -3.361 2.619 8.287 1.00 0.00 C ATOM 233 NE2 HIS A 19 -2.056 2.787 8.372 1.00 0.00 N ATOM 0 HA HIS A 19 -3.960 -1.125 9.887 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.437 -1.225 8.184 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.055 -1.282 7.516 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.459 1.275 8.479 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -4.078 3.425 8.239 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.550 3.672 8.403 1.00 0.00 H new ATOM 240 N THR A 20 -2.877 -3.814 10.521 1.00 0.00 N ATOM 241 CA THR A 20 -2.986 -5.272 10.450 1.00 0.00 C ATOM 242 C THR A 20 -4.447 -5.739 10.386 1.00 0.00 C ATOM 243 O THR A 20 -5.236 -5.466 11.291 1.00 0.00 O ATOM 244 CB THR A 20 -2.304 -5.930 11.668 1.00 0.00 C ATOM 245 OG1 THR A 20 -0.967 -5.436 11.805 1.00 0.00 O ATOM 246 CG2 THR A 20 -2.262 -7.447 11.523 1.00 0.00 C ATOM 0 H THR A 20 -2.587 -3.456 11.431 1.00 0.00 H new ATOM 0 HA THR A 20 -2.484 -5.578 9.532 1.00 0.00 H new ATOM 0 HB THR A 20 -2.887 -5.679 12.554 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.541 -5.856 12.581 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.776 -7.883 12.396 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.278 -7.833 11.443 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.702 -7.711 10.626 1.00 0.00 H new ATOM 254 N LEU A 21 -4.787 -6.460 9.309 1.00 0.00 N ATOM 255 CA LEU A 21 -6.134 -7.002 9.105 1.00 0.00 C ATOM 256 C LEU A 21 -6.111 -8.005 7.950 1.00 0.00 C ATOM 257 O LEU A 21 -5.176 -8.005 7.154 1.00 0.00 O ATOM 258 CB LEU A 21 -7.137 -5.882 8.811 1.00 0.00 C ATOM 259 CG LEU A 21 -8.433 -5.934 9.625 1.00 0.00 C ATOM 260 CD1 LEU A 21 -8.732 -4.574 10.236 1.00 0.00 C ATOM 261 CD2 LEU A 21 -9.594 -6.396 8.758 1.00 0.00 C ATOM 0 H LEU A 21 -4.136 -6.683 8.556 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.450 -7.506 10.019 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.651 -4.924 8.994 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.391 -5.913 7.752 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.302 -6.654 10.432 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.656 -4.629 10.811 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.913 -4.282 10.893 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.842 -3.835 9.442 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.505 -6.426 9.356 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.727 -5.702 7.928 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.383 -7.392 8.368 1.00 0.00 H new ATOM 273 N LEU A 22 -7.115 -8.883 7.873 1.00 0.00 N ATOM 274 CA LEU A 22 -7.169 -9.891 6.808 1.00 0.00 C ATOM 275 C LEU A 22 -7.356 -9.278 5.412 1.00 0.00 C ATOM 276 O LEU A 22 -6.606 -9.595 4.489 1.00 0.00 O ATOM 277 CB LEU A 22 -8.296 -10.895 7.087 1.00 0.00 C ATOM 278 CG LEU A 22 -8.474 -11.995 6.035 1.00 0.00 C ATOM 279 CD1 LEU A 22 -7.223 -12.857 5.933 1.00 0.00 C ATOM 280 CD2 LEU A 22 -9.687 -12.852 6.363 1.00 0.00 C ATOM 0 H LEU A 22 -7.896 -8.918 8.529 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.205 -10.399 6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.109 -11.366 8.052 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.234 -10.347 7.176 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.636 -11.518 5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.374 -13.630 5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.375 -12.235 5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.023 -13.324 6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.799 -13.628 5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.552 -13.315 7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.580 -12.228 6.378 1.00 0.00 H new ATOM 292 N PHE A 23 -8.355 -8.406 5.256 1.00 0.00 N ATOM 293 CA PHE A 23 -8.619 -7.772 3.959 1.00 0.00 C ATOM 294 C PHE A 23 -7.606 -6.671 3.666 1.00 0.00 C ATOM 295 O PHE A 23 -7.200 -6.458 2.521 1.00 0.00 O ATOM 296 CB PHE A 23 -10.039 -7.202 3.919 1.00 0.00 C ATOM 297 CG PHE A 23 -11.111 -8.258 3.928 1.00 0.00 C ATOM 298 CD1 PHE A 23 -11.707 -8.651 5.117 1.00 0.00 C ATOM 299 CD2 PHE A 23 -11.519 -8.861 2.748 1.00 0.00 C ATOM 300 CE1 PHE A 23 -12.687 -9.625 5.128 1.00 0.00 C ATOM 301 CE2 PHE A 23 -12.500 -9.833 2.755 1.00 0.00 C ATOM 302 CZ PHE A 23 -13.085 -10.216 3.945 1.00 0.00 C ATOM 0 H PHE A 23 -8.990 -8.124 6.003 1.00 0.00 H new ATOM 0 HA PHE A 23 -8.523 -8.538 3.190 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.182 -6.544 4.776 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -10.151 -6.590 3.024 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.402 -8.190 6.045 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -11.065 -8.567 1.813 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -13.141 -9.924 6.061 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -12.810 -10.294 1.829 1.00 0.00 H new ATOM 0 HZ PHE A 23 -13.852 -10.976 3.951 1.00 0.00 H new ATOM 312 N ASP A 24 -7.226 -5.963 4.715 1.00 0.00 N ATOM 313 CA ASP A 24 -6.246 -4.891 4.625 1.00 0.00 C ATOM 314 C ASP A 24 -4.996 -5.272 5.390 1.00 0.00 C ATOM 315 O ASP A 24 -4.761 -4.756 6.473 1.00 0.00 O ATOM 316 CB ASP A 24 -6.773 -3.525 5.102 1.00 0.00 C ATOM 317 CG ASP A 24 -7.708 -3.596 6.297 1.00 0.00 C ATOM 318 OD1 ASP A 24 -8.757 -4.269 6.201 1.00 0.00 O ATOM 319 OD2 ASP A 24 -7.400 -2.960 7.328 1.00 0.00 O ATOM 0 H ASP A 24 -7.588 -6.114 5.656 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.016 -4.769 3.566 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.924 -2.891 5.357 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.295 -3.042 4.276 1.00 0.00 H new ATOM 324 N LEU A 25 -4.247 -6.234 4.846 1.00 0.00 N ATOM 325 CA LEU A 25 -3.010 -6.721 5.465 1.00 0.00 C ATOM 326 C LEU A 25 -2.121 -5.565 5.954 1.00 0.00 C ATOM 327 O LEU A 25 -2.212 -4.448 5.436 1.00 0.00 O ATOM 328 CB LEU A 25 -2.240 -7.593 4.465 1.00 0.00 C ATOM 329 CG LEU A 25 -2.909 -8.928 4.122 1.00 0.00 C ATOM 330 CD1 LEU A 25 -2.132 -9.656 3.037 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.045 -9.800 5.363 1.00 0.00 C ATOM 0 H LEU A 25 -4.479 -6.697 3.967 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.283 -7.315 6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.100 -7.027 3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.248 -7.794 4.870 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.909 -8.718 3.743 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.624 -10.601 2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.096 -9.039 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.117 -9.850 3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.523 -10.742 5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.057 -9.999 5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.653 -9.284 6.106 1.00 0.00 H new ATOM 343 N PRO A 26 -1.262 -5.836 6.974 1.00 0.00 N ATOM 344 CA PRO A 26 -0.350 -4.855 7.602 1.00 0.00 C ATOM 345 C PRO A 26 0.291 -3.848 6.633 1.00 0.00 C ATOM 346 O PRO A 26 0.322 -4.062 5.418 1.00 0.00 O ATOM 347 CB PRO A 26 0.744 -5.742 8.233 1.00 0.00 C ATOM 348 CG PRO A 26 0.339 -7.163 7.992 1.00 0.00 C ATOM 349 CD PRO A 26 -1.113 -7.145 7.616 1.00 0.00 C ATOM 0 HA PRO A 26 -0.901 -4.225 8.300 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.716 -5.535 7.785 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.836 -5.542 9.300 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.938 -7.606 7.196 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.499 -7.767 8.885 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.366 -7.960 6.938 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.759 -7.244 8.489 1.00 0.00 H new ATOM 357 N PRO A 27 0.851 -2.743 7.194 1.00 0.00 N ATOM 358 CA PRO A 27 1.492 -1.657 6.433 1.00 0.00 C ATOM 359 C PRO A 27 2.503 -2.109 5.383 1.00 0.00 C ATOM 360 O PRO A 27 2.960 -1.298 4.593 1.00 0.00 O ATOM 361 CB PRO A 27 2.219 -0.849 7.495 1.00 0.00 C ATOM 362 CG PRO A 27 1.416 -1.048 8.723 1.00 0.00 C ATOM 363 CD PRO A 27 0.871 -2.448 8.640 1.00 0.00 C ATOM 0 HA PRO A 27 0.733 -1.118 5.866 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.243 -1.199 7.629 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.275 0.205 7.223 1.00 0.00 H new ATOM 0 HG2 PRO A 27 2.029 -0.920 9.615 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.609 -0.318 8.784 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.501 -3.153 9.182 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.127 -2.513 9.074 1.00 0.00 H new ATOM 371 N ALA A 28 2.856 -3.386 5.375 1.00 0.00 N ATOM 372 CA ALA A 28 3.814 -3.909 4.413 1.00 0.00 C ATOM 373 C ALA A 28 3.382 -3.566 2.986 1.00 0.00 C ATOM 374 O ALA A 28 4.221 -3.309 2.125 1.00 0.00 O ATOM 375 CB ALA A 28 3.949 -5.415 4.579 1.00 0.00 C ATOM 0 H ALA A 28 2.492 -4.081 6.027 1.00 0.00 H new ATOM 0 HA ALA A 28 4.784 -3.447 4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.668 -5.798 3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.295 -5.640 5.588 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.981 -5.888 4.413 1.00 0.00 H new ATOM 381 N LEU A 29 2.073 -3.565 2.739 1.00 0.00 N ATOM 382 CA LEU A 29 1.567 -3.223 1.418 1.00 0.00 C ATOM 383 C LEU A 29 0.886 -1.847 1.396 1.00 0.00 C ATOM 384 O LEU A 29 1.482 -0.870 0.959 1.00 0.00 O ATOM 385 CB LEU A 29 0.590 -4.285 0.925 1.00 0.00 C ATOM 386 CG LEU A 29 0.845 -4.781 -0.494 1.00 0.00 C ATOM 387 CD1 LEU A 29 2.295 -5.211 -0.649 1.00 0.00 C ATOM 388 CD2 LEU A 29 -0.095 -5.925 -0.838 1.00 0.00 C ATOM 0 H LEU A 29 1.356 -3.794 3.427 1.00 0.00 H new ATOM 0 HA LEU A 29 2.428 -3.182 0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.628 -5.136 1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.421 -3.880 0.977 1.00 0.00 H new ATOM 0 HG LEU A 29 0.651 -3.963 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.463 -5.563 -1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.950 -4.364 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.513 -6.015 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.103 -6.265 -1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.065 -6.749 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.127 -5.583 -0.764 1.00 0.00 H new ATOM 400 N LEU A 30 -0.346 -1.771 1.901 1.00 0.00 N ATOM 401 CA LEU A 30 -1.116 -0.518 1.893 1.00 0.00 C ATOM 402 C LEU A 30 -0.437 0.621 2.657 1.00 0.00 C ATOM 403 O LEU A 30 -0.223 1.693 2.095 1.00 0.00 O ATOM 404 CB LEU A 30 -2.523 -0.739 2.477 1.00 0.00 C ATOM 405 CG LEU A 30 -3.692 -0.405 1.544 1.00 0.00 C ATOM 406 CD1 LEU A 30 -5.012 -0.514 2.291 1.00 0.00 C ATOM 407 CD2 LEU A 30 -3.535 0.990 0.951 1.00 0.00 C ATOM 0 H LEU A 30 -0.836 -2.561 2.322 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.179 -0.220 0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.611 -1.783 2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.620 -0.136 3.380 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.689 -1.125 0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.833 -0.274 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.135 -1.530 2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.015 0.184 3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.377 1.202 0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.508 1.726 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.607 1.041 0.381 1.00 0.00 H new ATOM 419 N GLY A 31 -0.083 0.385 3.916 1.00 0.00 N ATOM 420 CA GLY A 31 0.510 1.440 4.732 1.00 0.00 C ATOM 421 C GLY A 31 1.811 2.022 4.189 1.00 0.00 C ATOM 422 O GLY A 31 1.931 3.240 4.038 1.00 0.00 O ATOM 0 H GLY A 31 -0.194 -0.512 4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.215 2.247 4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.695 1.045 5.731 1.00 0.00 H new ATOM 426 N GLU A 32 2.773 1.166 3.873 1.00 0.00 N ATOM 427 CA GLU A 32 4.069 1.616 3.377 1.00 0.00 C ATOM 428 C GLU A 32 3.996 2.172 1.957 1.00 0.00 C ATOM 429 O GLU A 32 4.601 3.202 1.666 1.00 0.00 O ATOM 430 CB GLU A 32 5.085 0.474 3.442 1.00 0.00 C ATOM 431 CG GLU A 32 6.526 0.916 3.221 1.00 0.00 C ATOM 432 CD GLU A 32 7.086 1.705 4.393 1.00 0.00 C ATOM 433 OE1 GLU A 32 6.382 1.843 5.416 1.00 0.00 O ATOM 434 OE2 GLU A 32 8.238 2.168 4.297 1.00 0.00 O ATOM 0 H GLU A 32 2.681 0.153 3.951 1.00 0.00 H new ATOM 0 HA GLU A 32 4.391 2.432 4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.009 -0.011 4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.825 -0.273 2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.148 0.038 3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.580 1.526 2.319 1.00 0.00 H new ATOM 441 N LEU A 33 3.259 1.499 1.073 1.00 0.00 N ATOM 442 CA LEU A 33 3.163 1.949 -0.312 1.00 0.00 C ATOM 443 C LEU A 33 2.415 3.274 -0.436 1.00 0.00 C ATOM 444 O LEU A 33 2.808 4.128 -1.226 1.00 0.00 O ATOM 445 CB LEU A 33 2.525 0.882 -1.213 1.00 0.00 C ATOM 446 CG LEU A 33 3.337 -0.409 -1.351 1.00 0.00 C ATOM 447 CD1 LEU A 33 2.594 -1.427 -2.200 1.00 0.00 C ATOM 448 CD2 LEU A 33 4.709 -0.118 -1.936 1.00 0.00 C ATOM 0 H LEU A 33 2.729 0.655 1.288 1.00 0.00 H new ATOM 0 HA LEU A 33 4.185 2.114 -0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.540 0.635 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.373 1.307 -2.205 1.00 0.00 H new ATOM 0 HG LEU A 33 3.473 -0.834 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.190 -2.336 -2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.638 -1.662 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.420 -1.014 -3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.271 -1.048 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.596 0.335 -2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.246 0.568 -1.281 1.00 0.00 H new ATOM 460 N CYS A 34 1.347 3.463 0.343 1.00 0.00 N ATOM 461 CA CYS A 34 0.590 4.711 0.267 1.00 0.00 C ATOM 462 C CYS A 34 1.371 5.876 0.870 1.00 0.00 C ATOM 463 O CYS A 34 1.190 7.020 0.465 1.00 0.00 O ATOM 464 CB CYS A 34 -0.773 4.594 0.960 1.00 0.00 C ATOM 465 SG CYS A 34 -0.697 4.553 2.768 1.00 0.00 S ATOM 0 H CYS A 34 0.994 2.784 1.018 1.00 0.00 H new ATOM 0 HA CYS A 34 0.424 4.908 -0.792 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.395 5.435 0.654 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.268 3.688 0.609 1.00 0.00 H new ATOM 0 HG CYS A 34 0.416 3.996 3.143 1.00 0.00 H new ATOM 471 N ALA A 35 2.231 5.585 1.846 1.00 0.00 N ATOM 472 CA ALA A 35 3.020 6.629 2.495 1.00 0.00 C ATOM 473 C ALA A 35 4.314 6.951 1.744 1.00 0.00 C ATOM 474 O ALA A 35 4.553 8.101 1.375 1.00 0.00 O ATOM 475 CB ALA A 35 3.337 6.227 3.931 1.00 0.00 C ATOM 0 H ALA A 35 2.397 4.644 2.201 1.00 0.00 H new ATOM 0 HA ALA A 35 2.414 7.535 2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.926 7.011 4.407 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.408 6.085 4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.905 5.297 3.931 1.00 0.00 H new ATOM 481 N VAL A 36 5.139 5.930 1.515 1.00 0.00 N ATOM 482 CA VAL A 36 6.428 6.103 0.843 1.00 0.00 C ATOM 483 C VAL A 36 6.299 6.578 -0.610 1.00 0.00 C ATOM 484 O VAL A 36 7.013 7.489 -1.032 1.00 0.00 O ATOM 485 CB VAL A 36 7.274 4.806 0.919 1.00 0.00 C ATOM 486 CG1 VAL A 36 8.502 4.888 0.020 1.00 0.00 C ATOM 487 CG2 VAL A 36 7.696 4.556 2.357 1.00 0.00 C ATOM 0 H VAL A 36 4.936 4.968 1.787 1.00 0.00 H new ATOM 0 HA VAL A 36 6.944 6.897 1.383 1.00 0.00 H new ATOM 0 HB VAL A 36 6.660 3.977 0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.072 3.962 0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.187 5.035 -1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.126 5.726 0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.291 3.644 2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.291 5.397 2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.810 4.447 2.983 1.00 0.00 H new ATOM 497 N LEU A 37 5.389 5.982 -1.375 1.00 0.00 N ATOM 498 CA LEU A 37 5.219 6.371 -2.776 1.00 0.00 C ATOM 499 C LEU A 37 4.436 7.680 -2.913 1.00 0.00 C ATOM 500 O LEU A 37 4.438 8.297 -3.977 1.00 0.00 O ATOM 501 CB LEU A 37 4.554 5.267 -3.591 1.00 0.00 C ATOM 502 CG LEU A 37 5.310 3.945 -3.662 1.00 0.00 C ATOM 503 CD1 LEU A 37 4.537 2.942 -4.495 1.00 0.00 C ATOM 504 CD2 LEU A 37 6.698 4.162 -4.239 1.00 0.00 C ATOM 0 H LEU A 37 4.766 5.239 -1.058 1.00 0.00 H new ATOM 0 HA LEU A 37 6.219 6.533 -3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.566 5.077 -3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.403 5.632 -4.607 1.00 0.00 H new ATOM 0 HG LEU A 37 5.415 3.547 -2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.088 2.003 -4.537 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.560 2.770 -4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.406 3.332 -5.505 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.226 3.210 -4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.614 4.578 -5.243 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.251 4.854 -3.605 1.00 0.00 H new ATOM 516 N ASP A 38 3.743 8.084 -1.851 1.00 0.00 N ATOM 517 CA ASP A 38 2.980 9.337 -1.863 1.00 0.00 C ATOM 518 C ASP A 38 3.898 10.519 -2.139 1.00 0.00 C ATOM 519 O ASP A 38 3.541 11.445 -2.863 1.00 0.00 O ATOM 520 CB ASP A 38 2.275 9.548 -0.520 1.00 0.00 C ATOM 521 CG ASP A 38 1.513 10.857 -0.462 1.00 0.00 C ATOM 522 OD1 ASP A 38 0.543 11.014 -1.227 1.00 0.00 O ATOM 523 OD2 ASP A 38 1.885 11.722 0.358 1.00 0.00 O ATOM 0 H ASP A 38 3.692 7.567 -0.973 1.00 0.00 H new ATOM 0 HA ASP A 38 2.234 9.269 -2.655 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.586 8.722 -0.342 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.013 9.526 0.281 1.00 0.00 H new ATOM 528 N SER A 39 5.084 10.473 -1.550 1.00 0.00 N ATOM 529 CA SER A 39 6.069 11.531 -1.720 1.00 0.00 C ATOM 530 C SER A 39 7.026 11.209 -2.866 1.00 0.00 C ATOM 531 O SER A 39 8.056 11.866 -3.026 1.00 0.00 O ATOM 532 CB SER A 39 6.848 11.738 -0.418 1.00 0.00 C ATOM 533 OG SER A 39 7.499 10.544 -0.012 1.00 0.00 O ATOM 0 H SER A 39 5.389 9.709 -0.947 1.00 0.00 H new ATOM 0 HA SER A 39 5.543 12.452 -1.969 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.586 12.529 -0.555 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.168 12.069 0.367 1.00 0.00 H new ATOM 0 HG SER A 39 7.990 10.706 0.821 1.00 0.00 H new ATOM 539 N CYS A 40 6.686 10.188 -3.653 1.00 0.00 N ATOM 540 CA CYS A 40 7.524 9.778 -4.774 1.00 0.00 C ATOM 541 C CYS A 40 7.537 10.839 -5.870 1.00 0.00 C ATOM 542 O CYS A 40 6.532 11.501 -6.123 1.00 0.00 O ATOM 543 CB CYS A 40 7.053 8.443 -5.345 1.00 0.00 C ATOM 544 SG CYS A 40 8.207 7.715 -6.524 1.00 0.00 S ATOM 0 H CYS A 40 5.839 9.633 -3.534 1.00 0.00 H new ATOM 0 HA CYS A 40 8.540 9.659 -4.398 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.894 7.743 -4.525 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.089 8.586 -5.834 1.00 0.00 H new ATOM 0 HG CYS A 40 8.212 8.419 -7.617 1.00 0.00 H new ATOM 550 N ASP A 41 8.682 10.988 -6.521 1.00 0.00 N ATOM 551 CA ASP A 41 8.839 11.978 -7.579 1.00 0.00 C ATOM 552 C ASP A 41 9.591 11.388 -8.771 1.00 0.00 C ATOM 553 O ASP A 41 10.616 11.916 -9.197 1.00 0.00 O ATOM 554 CB ASP A 41 9.577 13.212 -7.053 1.00 0.00 C ATOM 555 CG ASP A 41 9.342 14.439 -7.915 1.00 0.00 C ATOM 556 OD1 ASP A 41 8.360 14.445 -8.688 1.00 0.00 O ATOM 557 OD2 ASP A 41 10.138 15.396 -7.813 1.00 0.00 O ATOM 0 H ASP A 41 9.518 10.435 -6.335 1.00 0.00 H new ATOM 0 HA ASP A 41 7.844 12.276 -7.911 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.251 13.420 -6.034 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.646 13.002 -7.009 1.00 0.00 H new ATOM 562 N GLY A 42 9.079 10.277 -9.288 1.00 0.00 N ATOM 563 CA GLY A 42 9.693 9.633 -10.441 1.00 0.00 C ATOM 564 C GLY A 42 10.694 8.548 -10.085 1.00 0.00 C ATOM 565 O GLY A 42 11.102 7.781 -10.957 1.00 0.00 O ATOM 0 H GLY A 42 8.247 9.807 -8.930 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.909 9.199 -11.062 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.194 10.391 -11.043 1.00 0.00 H new ATOM 569 N ALA A 43 11.103 8.477 -8.816 1.00 0.00 N ATOM 570 CA ALA A 43 12.059 7.452 -8.381 1.00 0.00 C ATOM 571 C ALA A 43 11.470 6.052 -8.547 1.00 0.00 C ATOM 572 O ALA A 43 12.142 5.128 -9.000 1.00 0.00 O ATOM 573 CB ALA A 43 12.468 7.688 -6.934 1.00 0.00 C ATOM 0 H ALA A 43 10.792 9.109 -8.078 1.00 0.00 H new ATOM 0 HA ALA A 43 12.946 7.525 -9.011 1.00 0.00 H new ATOM 0 HB1 ALA A 43 13.177 6.920 -6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 43 12.934 8.669 -6.843 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.586 7.645 -6.295 1.00 0.00 H new ATOM 579 N LEU A 44 10.206 5.916 -8.166 1.00 0.00 N ATOM 580 CA LEU A 44 9.486 4.651 -8.291 1.00 0.00 C ATOM 581 C LEU A 44 8.201 4.871 -9.079 1.00 0.00 C ATOM 582 O LEU A 44 7.722 3.981 -9.780 1.00 0.00 O ATOM 583 CB LEU A 44 9.174 4.060 -6.907 1.00 0.00 C ATOM 584 CG LEU A 44 10.404 3.564 -6.128 1.00 0.00 C ATOM 585 CD1 LEU A 44 10.045 3.255 -4.688 1.00 0.00 C ATOM 586 CD2 LEU A 44 10.997 2.333 -6.801 1.00 0.00 C ATOM 0 H LEU A 44 9.653 6.673 -7.764 1.00 0.00 H new ATOM 0 HA LEU A 44 10.116 3.939 -8.824 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.664 4.816 -6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.479 3.229 -7.030 1.00 0.00 H new ATOM 0 HG LEU A 44 11.150 4.359 -6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.932 2.906 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.666 4.156 -4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.279 2.480 -4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.867 1.994 -6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.251 1.539 -6.829 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.298 2.584 -7.818 1.00 0.00 H new ATOM 598 N GLY A 45 7.650 6.074 -8.951 1.00 0.00 N ATOM 599 CA GLY A 45 6.432 6.425 -9.647 1.00 0.00 C ATOM 600 C GLY A 45 5.196 5.983 -8.896 1.00 0.00 C ATOM 601 O GLY A 45 5.000 4.787 -8.681 1.00 0.00 O ATOM 0 H GLY A 45 8.034 6.819 -8.369 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.398 7.504 -9.795 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.437 5.968 -10.636 1.00 0.00 H new ATOM 605 N TRP A 46 4.364 6.939 -8.482 1.00 0.00 N ATOM 606 CA TRP A 46 3.125 6.605 -7.777 1.00 0.00 C ATOM 607 C TRP A 46 2.264 5.655 -8.614 1.00 0.00 C ATOM 608 O TRP A 46 1.698 4.695 -8.091 1.00 0.00 O ATOM 609 CB TRP A 46 2.342 7.876 -7.409 1.00 0.00 C ATOM 610 CG TRP A 46 2.198 8.864 -8.532 1.00 0.00 C ATOM 611 CD1 TRP A 46 1.210 8.902 -9.470 1.00 0.00 C ATOM 612 CD2 TRP A 46 3.066 9.968 -8.825 1.00 0.00 C ATOM 613 NE1 TRP A 46 1.415 9.949 -10.335 1.00 0.00 N ATOM 614 CE2 TRP A 46 2.546 10.619 -9.958 1.00 0.00 C ATOM 615 CE3 TRP A 46 4.233 10.466 -8.239 1.00 0.00 C ATOM 616 CZ2 TRP A 46 3.154 11.743 -10.515 1.00 0.00 C ATOM 617 CZ3 TRP A 46 4.833 11.581 -8.793 1.00 0.00 C ATOM 618 CH2 TRP A 46 4.293 12.208 -9.921 1.00 0.00 C ATOM 0 H TRP A 46 4.521 7.937 -8.620 1.00 0.00 H new ATOM 0 HA TRP A 46 3.390 6.095 -6.851 1.00 0.00 H new ATOM 0 HB2 TRP A 46 1.349 7.589 -7.064 1.00 0.00 H new ATOM 0 HB3 TRP A 46 2.840 8.366 -6.572 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.384 8.208 -9.525 1.00 0.00 H new ATOM 0 HE1 TRP A 46 0.821 10.188 -11.129 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.658 9.988 -7.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 2.739 12.229 -11.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 5.734 11.975 -8.347 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.786 13.077 -10.330 1.00 0.00 H new ATOM 629 N ARG A 47 2.168 5.929 -9.913 1.00 0.00 N ATOM 630 CA ARG A 47 1.409 5.078 -10.826 1.00 0.00 C ATOM 631 C ARG A 47 2.239 3.899 -11.317 1.00 0.00 C ATOM 632 O ARG A 47 1.748 3.090 -12.087 1.00 0.00 O ATOM 633 CB ARG A 47 0.879 5.853 -12.043 1.00 0.00 C ATOM 634 CG ARG A 47 1.703 7.070 -12.445 1.00 0.00 C ATOM 635 CD ARG A 47 3.061 6.680 -13.011 1.00 0.00 C ATOM 636 NE ARG A 47 3.127 6.872 -14.456 1.00 0.00 N ATOM 637 CZ ARG A 47 4.123 6.424 -15.217 1.00 0.00 C ATOM 638 NH1 ARG A 47 4.110 6.645 -16.526 1.00 0.00 N ATOM 639 NH2 ARG A 47 5.129 5.756 -14.669 1.00 0.00 N ATOM 0 H ARG A 47 2.607 6.735 -10.358 1.00 0.00 H new ATOM 0 HA ARG A 47 0.561 4.709 -10.249 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.827 5.172 -12.893 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.140 6.177 -11.832 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.154 7.650 -13.187 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.844 7.715 -11.577 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.838 7.274 -12.531 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.266 5.636 -12.774 1.00 0.00 H new ATOM 0 HE ARG A 47 2.366 7.379 -14.909 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.337 7.158 -16.949 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.873 6.302 -17.109 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.140 5.585 -13.663 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.892 5.413 -15.253 1.00 0.00 H new ATOM 653 N GLY A 48 3.492 3.801 -10.880 1.00 0.00 N ATOM 654 CA GLY A 48 4.356 2.725 -11.345 1.00 0.00 C ATOM 655 C GLY A 48 3.808 1.347 -11.044 1.00 0.00 C ATOM 656 O GLY A 48 3.807 0.477 -11.915 1.00 0.00 O ATOM 0 H GLY A 48 3.924 4.443 -10.216 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.501 2.824 -12.421 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.336 2.828 -10.880 1.00 0.00 H new ATOM 660 N LEU A 49 3.332 1.145 -9.825 1.00 0.00 N ATOM 661 CA LEU A 49 2.775 -0.142 -9.441 1.00 0.00 C ATOM 662 C LEU A 49 1.413 -0.380 -10.107 1.00 0.00 C ATOM 663 O LEU A 49 1.137 -1.475 -10.598 1.00 0.00 O ATOM 664 CB LEU A 49 2.641 -0.223 -7.918 1.00 0.00 C ATOM 665 CG LEU A 49 3.952 -0.072 -7.133 1.00 0.00 C ATOM 666 CD1 LEU A 49 3.683 -0.173 -5.643 1.00 0.00 C ATOM 667 CD2 LEU A 49 4.971 -1.117 -7.561 1.00 0.00 C ATOM 0 H LEU A 49 3.320 1.851 -9.089 1.00 0.00 H new ATOM 0 HA LEU A 49 3.456 -0.921 -9.782 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.949 0.552 -7.589 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.191 -1.182 -7.660 1.00 0.00 H new ATOM 0 HG LEU A 49 4.369 0.911 -7.351 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.620 -0.065 -5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.994 0.617 -5.343 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.242 -1.144 -5.418 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.889 -0.986 -6.988 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.569 -2.114 -7.378 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.186 -1.002 -8.623 1.00 0.00 H new ATOM 679 N ALA A 50 0.565 0.656 -10.120 1.00 0.00 N ATOM 680 CA ALA A 50 -0.768 0.557 -10.729 1.00 0.00 C ATOM 681 C ALA A 50 -0.722 0.341 -12.241 1.00 0.00 C ATOM 682 O ALA A 50 -1.489 -0.454 -12.787 1.00 0.00 O ATOM 683 CB ALA A 50 -1.579 1.805 -10.426 1.00 0.00 C ATOM 0 H ALA A 50 0.777 1.569 -9.718 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.242 -0.320 -10.289 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.565 1.718 -10.883 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.688 1.915 -9.347 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.067 2.678 -10.830 1.00 0.00 H new ATOM 689 N GLU A 51 0.181 1.056 -12.905 1.00 0.00 N ATOM 690 CA GLU A 51 0.323 0.983 -14.354 1.00 0.00 C ATOM 691 C GLU A 51 0.706 -0.423 -14.803 1.00 0.00 C ATOM 692 O GLU A 51 0.160 -0.938 -15.780 1.00 0.00 O ATOM 693 CB GLU A 51 1.378 1.994 -14.834 1.00 0.00 C ATOM 694 CG GLU A 51 1.594 2.011 -16.345 1.00 0.00 C ATOM 695 CD GLU A 51 0.377 2.483 -17.116 1.00 0.00 C ATOM 696 OE1 GLU A 51 -0.499 3.136 -16.511 1.00 0.00 O ATOM 697 OE2 GLU A 51 0.302 2.203 -18.331 1.00 0.00 O ATOM 0 H GLU A 51 0.832 1.700 -12.455 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.641 1.229 -14.799 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.081 2.992 -14.511 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.327 1.770 -14.346 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.438 2.660 -16.578 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.861 1.008 -16.679 1.00 0.00 H new ATOM 704 N ARG A 52 1.648 -1.035 -14.088 1.00 0.00 N ATOM 705 CA ARG A 52 2.108 -2.379 -14.421 1.00 0.00 C ATOM 706 C ARG A 52 1.011 -3.428 -14.250 1.00 0.00 C ATOM 707 O ARG A 52 0.906 -4.344 -15.066 1.00 0.00 O ATOM 708 CB ARG A 52 3.328 -2.765 -13.581 1.00 0.00 C ATOM 709 CG ARG A 52 4.586 -1.997 -13.950 1.00 0.00 C ATOM 710 CD ARG A 52 5.805 -2.523 -13.213 1.00 0.00 C ATOM 711 NE ARG A 52 7.012 -1.780 -13.569 1.00 0.00 N ATOM 712 CZ ARG A 52 7.718 -1.995 -14.678 1.00 0.00 C ATOM 713 NH1 ARG A 52 8.809 -1.280 -14.918 1.00 0.00 N ATOM 714 NH2 ARG A 52 7.328 -2.916 -15.552 1.00 0.00 N ATOM 0 H ARG A 52 2.106 -0.621 -13.276 1.00 0.00 H new ATOM 0 HA ARG A 52 2.388 -2.358 -15.474 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.103 -2.594 -12.528 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.516 -3.832 -13.697 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.753 -2.068 -15.025 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.448 -0.941 -13.718 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.639 -2.454 -12.138 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.945 -3.578 -13.447 1.00 0.00 H new ATOM 0 HE ARG A 52 7.333 -1.053 -12.930 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.107 -0.566 -14.254 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.350 -1.444 -15.767 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.485 -3.462 -15.375 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.872 -3.077 -16.400 1.00 0.00 H new ATOM 851 N ASP A 61 -6.368 9.027 -14.715 1.00 0.00 N ATOM 852 CA ASP A 61 -6.928 10.360 -14.491 1.00 0.00 C ATOM 853 C ASP A 61 -7.154 10.597 -12.998 1.00 0.00 C ATOM 854 O ASP A 61 -6.885 11.681 -12.482 1.00 0.00 O ATOM 855 CB ASP A 61 -8.244 10.528 -15.253 1.00 0.00 C ATOM 856 CG ASP A 61 -8.044 10.664 -16.752 1.00 0.00 C ATOM 857 OD1 ASP A 61 -6.891 10.873 -17.183 1.00 0.00 O ATOM 858 OD2 ASP A 61 -9.043 10.559 -17.494 1.00 0.00 O ATOM 0 HA ASP A 61 -6.215 11.097 -14.862 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.886 9.670 -15.053 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.765 11.410 -14.879 1.00 0.00 H new ATOM 863 N HIS A 62 -7.643 9.563 -12.319 1.00 0.00 N ATOM 864 CA HIS A 62 -7.902 9.627 -10.887 1.00 0.00 C ATOM 865 C HIS A 62 -6.595 9.527 -10.095 1.00 0.00 C ATOM 866 O HIS A 62 -6.518 9.988 -8.954 1.00 0.00 O ATOM 867 CB HIS A 62 -8.871 8.518 -10.473 1.00 0.00 C ATOM 868 CG HIS A 62 -9.723 8.879 -9.294 1.00 0.00 C ATOM 869 ND1 HIS A 62 -10.678 9.871 -9.316 1.00 0.00 N ATOM 870 CD2 HIS A 62 -9.756 8.356 -8.043 1.00 0.00 C ATOM 871 CE1 HIS A 62 -11.248 9.919 -8.105 1.00 0.00 C ATOM 872 NE2 HIS A 62 -10.724 9.020 -7.296 1.00 0.00 N ATOM 0 H HIS A 62 -7.869 8.664 -12.744 1.00 0.00 H new ATOM 0 HA HIS A 62 -8.361 10.590 -10.662 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.516 8.276 -11.317 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -8.302 7.618 -10.239 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -9.131 7.552 -7.684 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -12.035 10.605 -7.827 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -10.976 8.847 -6.323 1.00 0.00 H new ATOM 879 N ILE A 63 -5.571 8.923 -10.710 1.00 0.00 N ATOM 880 CA ILE A 63 -4.263 8.781 -10.069 1.00 0.00 C ATOM 881 C ILE A 63 -3.685 10.157 -9.732 1.00 0.00 C ATOM 882 O ILE A 63 -3.134 10.369 -8.650 1.00 0.00 O ATOM 883 CB ILE A 63 -3.262 7.987 -10.950 1.00 0.00 C ATOM 884 CG1 ILE A 63 -3.663 6.511 -11.018 1.00 0.00 C ATOM 885 CG2 ILE A 63 -1.842 8.119 -10.423 1.00 0.00 C ATOM 886 CD1 ILE A 63 -2.870 5.705 -12.026 1.00 0.00 C ATOM 0 H ILE A 63 -5.625 8.526 -11.648 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.414 8.214 -9.150 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.293 8.409 -11.954 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.538 6.065 -10.031 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.722 6.444 -11.266 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.163 7.552 -11.060 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.549 9.169 -10.425 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.794 7.730 -9.406 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.212 4.670 -12.015 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.014 6.124 -13.022 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.812 5.740 -11.768 1.00 0.00 H new ATOM 898 N GLU A 64 -3.801 11.084 -10.668 1.00 0.00 N ATOM 899 CA GLU A 64 -3.324 12.444 -10.458 1.00 0.00 C ATOM 900 C GLU A 64 -4.160 13.159 -9.389 1.00 0.00 C ATOM 901 O GLU A 64 -3.642 13.958 -8.614 1.00 0.00 O ATOM 902 CB GLU A 64 -3.373 13.230 -11.771 1.00 0.00 C ATOM 903 CG GLU A 64 -2.350 12.764 -12.799 1.00 0.00 C ATOM 904 CD GLU A 64 -2.524 13.437 -14.148 1.00 0.00 C ATOM 905 OE1 GLU A 64 -3.577 14.074 -14.364 1.00 0.00 O ATOM 906 OE2 GLU A 64 -1.607 13.326 -14.986 1.00 0.00 O ATOM 0 H GLU A 64 -4.222 10.921 -11.583 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.292 12.392 -10.110 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.372 13.144 -12.199 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.207 14.286 -11.559 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.347 12.966 -12.424 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.432 11.684 -12.923 1.00 0.00 H new ATOM 913 N LYS A 65 -5.459 12.869 -9.377 1.00 0.00 N ATOM 914 CA LYS A 65 -6.399 13.502 -8.447 1.00 0.00 C ATOM 915 C LYS A 65 -6.124 13.215 -6.957 1.00 0.00 C ATOM 916 O LYS A 65 -6.090 14.146 -6.152 1.00 0.00 O ATOM 917 CB LYS A 65 -7.818 13.046 -8.794 1.00 0.00 C ATOM 918 CG LYS A 65 -8.324 13.591 -10.120 1.00 0.00 C ATOM 919 CD LYS A 65 -9.719 13.076 -10.441 1.00 0.00 C ATOM 920 CE LYS A 65 -10.232 13.637 -11.758 1.00 0.00 C ATOM 921 NZ LYS A 65 -11.594 13.133 -12.082 1.00 0.00 N ATOM 0 H LYS A 65 -5.891 12.193 -10.007 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.272 14.578 -8.570 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.844 11.957 -8.825 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.496 13.358 -8.000 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.337 14.680 -10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.638 13.305 -10.917 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.703 11.987 -10.490 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.403 13.349 -9.637 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.250 14.726 -11.706 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.545 13.367 -12.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.908 13.538 -12.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.572 12.096 -12.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.255 13.412 -11.330 1.00 0.00 H new ATOM 935 N GLU A 66 -5.926 11.947 -6.575 1.00 0.00 N ATOM 936 CA GLU A 66 -5.695 11.627 -5.155 1.00 0.00 C ATOM 937 C GLU A 66 -4.219 11.652 -4.759 1.00 0.00 C ATOM 938 O GLU A 66 -3.905 11.457 -3.591 1.00 0.00 O ATOM 939 CB GLU A 66 -6.320 10.286 -4.732 1.00 0.00 C ATOM 940 CG GLU A 66 -7.652 9.978 -5.400 1.00 0.00 C ATOM 941 CD GLU A 66 -8.386 8.836 -4.724 1.00 0.00 C ATOM 942 OE1 GLU A 66 -9.061 9.088 -3.704 1.00 0.00 O ATOM 943 OE2 GLU A 66 -8.284 7.690 -5.210 1.00 0.00 O ATOM 0 H GLU A 66 -5.920 11.145 -7.205 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.201 12.428 -4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.618 9.484 -4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.461 10.289 -3.651 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.279 10.870 -5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.481 9.728 -6.447 1.00 0.00 H new ATOM 950 N VAL A 67 -3.310 11.865 -5.713 1.00 0.00 N ATOM 951 CA VAL A 67 -1.877 11.886 -5.391 1.00 0.00 C ATOM 952 C VAL A 67 -1.566 12.928 -4.306 1.00 0.00 C ATOM 953 O VAL A 67 -0.687 12.723 -3.471 1.00 0.00 O ATOM 954 CB VAL A 67 -0.998 12.126 -6.649 1.00 0.00 C ATOM 955 CG1 VAL A 67 -1.023 13.582 -7.093 1.00 0.00 C ATOM 956 CG2 VAL A 67 0.432 11.667 -6.394 1.00 0.00 C ATOM 0 H VAL A 67 -3.531 12.023 -6.696 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.627 10.899 -5.002 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.420 11.533 -7.461 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.395 13.704 -7.976 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.046 13.872 -7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.646 14.214 -6.289 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.035 11.842 -7.285 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.850 12.227 -5.557 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.436 10.603 -6.157 1.00 0.00 H new ATOM 966 N ASP A 68 -2.305 14.037 -4.311 1.00 0.00 N ATOM 967 CA ASP A 68 -2.127 15.092 -3.311 1.00 0.00 C ATOM 968 C ASP A 68 -3.011 14.838 -2.091 1.00 0.00 C ATOM 969 O ASP A 68 -2.956 15.573 -1.107 1.00 0.00 O ATOM 970 CB ASP A 68 -2.446 16.468 -3.905 1.00 0.00 C ATOM 971 CG ASP A 68 -1.400 16.940 -4.899 1.00 0.00 C ATOM 972 OD1 ASP A 68 -0.298 16.354 -4.926 1.00 0.00 O ATOM 973 OD2 ASP A 68 -1.686 17.897 -5.646 1.00 0.00 O ATOM 0 H ASP A 68 -3.034 14.229 -4.998 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.083 15.079 -2.998 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.417 16.429 -4.399 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.528 17.196 -3.098 1.00 0.00 H new ATOM 978 N GLN A 69 -3.832 13.793 -2.171 1.00 0.00 N ATOM 979 CA GLN A 69 -4.759 13.438 -1.099 1.00 0.00 C ATOM 980 C GLN A 69 -4.308 12.188 -0.341 1.00 0.00 C ATOM 981 O GLN A 69 -5.121 11.520 0.299 1.00 0.00 O ATOM 982 CB GLN A 69 -6.165 13.221 -1.666 1.00 0.00 C ATOM 983 CG GLN A 69 -6.741 14.438 -2.375 1.00 0.00 C ATOM 984 CD GLN A 69 -6.879 15.640 -1.460 1.00 0.00 C ATOM 985 OE1 GLN A 69 -7.546 15.576 -0.430 1.00 0.00 O ATOM 986 NE2 GLN A 69 -6.252 16.747 -1.834 1.00 0.00 N ATOM 0 H GLN A 69 -3.873 13.170 -2.978 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.772 14.268 -0.393 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -6.139 12.385 -2.365 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.833 12.937 -0.853 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.100 14.700 -3.217 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.719 14.185 -2.785 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -5.708 16.758 -2.697 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -6.313 17.587 -1.259 1.00 0.00 H new ATOM 995 N GLY A 70 -3.018 11.873 -0.405 1.00 0.00 N ATOM 996 CA GLY A 70 -2.514 10.696 0.290 1.00 0.00 C ATOM 997 C GLY A 70 -2.217 9.515 -0.622 1.00 0.00 C ATOM 998 O GLY A 70 -2.206 8.380 -0.148 1.00 0.00 O ATOM 0 H GLY A 70 -2.316 12.404 -0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.604 10.966 0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -3.245 10.389 1.038 1.00 0.00 H new ATOM 1002 N LYS A 71 -2.026 9.802 -1.921 1.00 0.00 N ATOM 1003 CA LYS A 71 -1.672 8.804 -2.956 1.00 0.00 C ATOM 1004 C LYS A 71 -2.898 8.295 -3.704 1.00 0.00 C ATOM 1005 O LYS A 71 -3.996 8.206 -3.160 1.00 0.00 O ATOM 1006 CB LYS A 71 -0.883 7.610 -2.384 1.00 0.00 C ATOM 1007 CG LYS A 71 -0.813 6.398 -3.309 1.00 0.00 C ATOM 1008 CD LYS A 71 0.253 6.567 -4.386 1.00 0.00 C ATOM 1009 CE LYS A 71 1.546 5.921 -3.973 1.00 0.00 C ATOM 1010 NZ LYS A 71 1.353 4.517 -3.520 1.00 0.00 N ATOM 0 H LYS A 71 -2.114 10.748 -2.292 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.027 9.331 -3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.132 7.937 -2.156 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.339 7.307 -1.442 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.598 5.505 -2.722 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.784 6.244 -3.780 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.096 6.126 -5.320 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.417 7.628 -4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.243 5.938 -4.811 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.000 6.501 -3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.718 4.411 -2.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.340 4.283 -3.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.866 3.873 -4.156 1.00 0.00 H new ATOM 1024 N SER A 72 -2.684 7.977 -4.973 1.00 0.00 N ATOM 1025 CA SER A 72 -3.727 7.448 -5.830 1.00 0.00 C ATOM 1026 C SER A 72 -3.187 6.317 -6.692 1.00 0.00 C ATOM 1027 O SER A 72 -3.915 5.403 -7.040 1.00 0.00 O ATOM 1028 CB SER A 72 -4.279 8.544 -6.716 1.00 0.00 C ATOM 1029 OG SER A 72 -5.582 8.224 -7.171 1.00 0.00 O ATOM 0 H SER A 72 -1.780 8.080 -5.435 1.00 0.00 H new ATOM 0 HA SER A 72 -4.526 7.059 -5.199 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.304 9.484 -6.165 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.618 8.693 -7.570 1.00 0.00 H new ATOM 0 HG SER A 72 -5.909 8.939 -7.756 1.00 0.00 H new ATOM 1035 N GLY A 73 -1.904 6.383 -7.040 1.00 0.00 N ATOM 1036 CA GLY A 73 -1.315 5.344 -7.867 1.00 0.00 C ATOM 1037 C GLY A 73 -1.542 3.953 -7.309 1.00 0.00 C ATOM 1038 O GLY A 73 -2.273 3.157 -7.893 1.00 0.00 O ATOM 0 H GLY A 73 -1.267 7.131 -6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.736 5.402 -8.871 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.244 5.523 -7.960 1.00 0.00 H new ATOM 1042 N THR A 74 -0.941 3.659 -6.171 1.00 0.00 N ATOM 1043 CA THR A 74 -1.109 2.357 -5.554 1.00 0.00 C ATOM 1044 C THR A 74 -2.334 2.335 -4.639 1.00 0.00 C ATOM 1045 O THR A 74 -3.021 1.318 -4.537 1.00 0.00 O ATOM 1046 CB THR A 74 0.141 1.946 -4.755 1.00 0.00 C ATOM 1047 OG1 THR A 74 1.319 2.254 -5.509 1.00 0.00 O ATOM 1048 CG2 THR A 74 0.122 0.456 -4.441 1.00 0.00 C ATOM 0 H THR A 74 -0.336 4.300 -5.658 1.00 0.00 H new ATOM 0 HA THR A 74 -1.257 1.639 -6.361 1.00 0.00 H new ATOM 0 HB THR A 74 0.143 2.501 -3.817 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.116 2.208 -6.467 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.016 0.192 -3.876 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.763 0.220 -3.851 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.100 -0.112 -5.371 1.00 0.00 H new ATOM 1056 N ARG A 75 -2.607 3.470 -3.984 1.00 0.00 N ATOM 1057 CA ARG A 75 -3.727 3.564 -3.049 1.00 0.00 C ATOM 1058 C ARG A 75 -5.063 3.297 -3.736 1.00 0.00 C ATOM 1059 O ARG A 75 -5.862 2.506 -3.244 1.00 0.00 O ATOM 1060 CB ARG A 75 -3.772 4.943 -2.386 1.00 0.00 C ATOM 1061 CG ARG A 75 -4.796 5.028 -1.264 1.00 0.00 C ATOM 1062 CD ARG A 75 -4.810 6.396 -0.611 1.00 0.00 C ATOM 1063 NE ARG A 75 -5.788 6.471 0.473 1.00 0.00 N ATOM 1064 CZ ARG A 75 -6.021 7.573 1.177 1.00 0.00 C ATOM 1065 NH1 ARG A 75 -6.924 7.564 2.149 1.00 0.00 N ATOM 1066 NH2 ARG A 75 -5.351 8.685 0.907 1.00 0.00 N ATOM 0 H ARG A 75 -2.069 4.330 -4.086 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.566 2.799 -2.290 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.785 5.182 -1.989 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.003 5.696 -3.140 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.787 4.805 -1.660 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.575 4.270 -0.513 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.818 6.623 -0.221 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.039 7.154 -1.360 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.320 5.631 0.701 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.441 6.710 2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.101 8.411 2.688 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.657 8.694 0.159 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.529 9.532 1.447 1.00 0.00 H new ATOM 1080 N GLU A 76 -5.294 3.947 -4.874 1.00 0.00 N ATOM 1081 CA GLU A 76 -6.540 3.767 -5.617 1.00 0.00 C ATOM 1082 C GLU A 76 -6.677 2.329 -6.098 1.00 0.00 C ATOM 1083 O GLU A 76 -7.760 1.753 -6.048 1.00 0.00 O ATOM 1084 CB GLU A 76 -6.601 4.725 -6.809 1.00 0.00 C ATOM 1085 CG GLU A 76 -7.873 4.603 -7.628 1.00 0.00 C ATOM 1086 CD GLU A 76 -7.839 5.423 -8.902 1.00 0.00 C ATOM 1087 OE1 GLU A 76 -6.829 6.116 -9.140 1.00 0.00 O ATOM 1088 OE2 GLU A 76 -8.822 5.360 -9.671 1.00 0.00 O ATOM 0 H GLU A 76 -4.638 4.601 -5.301 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.368 3.991 -4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.511 5.749 -6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.744 4.540 -7.456 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.036 3.555 -7.881 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.721 4.920 -7.021 1.00 0.00 H new ATOM 1095 N LEU A 77 -5.569 1.764 -6.569 1.00 0.00 N ATOM 1096 CA LEU A 77 -5.553 0.391 -7.066 1.00 0.00 C ATOM 1097 C LEU A 77 -5.948 -0.591 -5.961 1.00 0.00 C ATOM 1098 O LEU A 77 -6.777 -1.476 -6.171 1.00 0.00 O ATOM 1099 CB LEU A 77 -4.153 0.053 -7.588 1.00 0.00 C ATOM 1100 CG LEU A 77 -3.978 -1.360 -8.152 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -4.858 -1.561 -9.377 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -2.516 -1.617 -8.483 1.00 0.00 C ATOM 0 H LEU A 77 -4.667 2.238 -6.617 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.277 0.304 -7.876 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.893 0.770 -8.367 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.439 0.191 -6.776 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.289 -2.079 -7.395 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.719 -2.571 -9.763 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.903 -1.418 -9.102 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.583 -0.838 -10.145 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.405 -2.625 -8.883 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.178 -0.893 -9.225 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.915 -1.517 -7.579 1.00 0.00 H new ATOM 1114 N LEU A 78 -5.347 -0.425 -4.785 1.00 0.00 N ATOM 1115 CA LEU A 78 -5.637 -1.288 -3.643 1.00 0.00 C ATOM 1116 C LEU A 78 -7.047 -1.023 -3.093 1.00 0.00 C ATOM 1117 O LEU A 78 -7.766 -1.947 -2.721 1.00 0.00 O ATOM 1118 CB LEU A 78 -4.571 -1.090 -2.550 1.00 0.00 C ATOM 1119 CG LEU A 78 -3.150 -1.491 -2.962 1.00 0.00 C ATOM 1120 CD1 LEU A 78 -2.160 -1.187 -1.849 1.00 0.00 C ATOM 1121 CD2 LEU A 78 -3.094 -2.965 -3.337 1.00 0.00 C ATOM 0 H LEU A 78 -4.655 0.301 -4.598 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.606 -2.326 -3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.566 -0.042 -2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.858 -1.670 -1.673 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.873 -0.903 -3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.158 -1.480 -2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.174 -0.119 -1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.437 -1.744 -0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.077 -3.228 -3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.396 -3.570 -2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.769 -3.154 -4.172 1.00 0.00 H new ATOM 1133 N TRP A 79 -7.434 0.250 -3.081 1.00 0.00 N ATOM 1134 CA TRP A 79 -8.741 0.685 -2.569 1.00 0.00 C ATOM 1135 C TRP A 79 -9.890 0.397 -3.549 1.00 0.00 C ATOM 1136 O TRP A 79 -11.055 0.602 -3.215 1.00 0.00 O ATOM 1137 CB TRP A 79 -8.698 2.186 -2.253 1.00 0.00 C ATOM 1138 CG TRP A 79 -9.684 2.620 -1.209 1.00 0.00 C ATOM 1139 CD1 TRP A 79 -10.871 3.259 -1.421 1.00 0.00 C ATOM 1140 CD2 TRP A 79 -9.560 2.461 0.210 1.00 0.00 C ATOM 1141 NE1 TRP A 79 -11.499 3.499 -0.221 1.00 0.00 N ATOM 1142 CE2 TRP A 79 -10.713 3.019 0.794 1.00 0.00 C ATOM 1143 CE3 TRP A 79 -8.588 1.898 1.043 1.00 0.00 C ATOM 1144 CZ2 TRP A 79 -10.919 3.031 2.172 1.00 0.00 C ATOM 1145 CZ3 TRP A 79 -8.794 1.911 2.410 1.00 0.00 C ATOM 1146 CH2 TRP A 79 -9.952 2.472 2.962 1.00 0.00 C ATOM 0 H TRP A 79 -6.853 1.014 -3.426 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.938 0.111 -1.664 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -7.694 2.448 -1.920 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.886 2.745 -3.170 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.260 3.536 -2.390 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -12.402 3.959 -0.105 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.693 1.461 0.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -11.810 3.466 2.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.049 1.481 3.063 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.085 2.463 4.034 1.00 0.00 H new ATOM 1157 N SER A 80 -9.562 -0.065 -4.755 1.00 0.00 N ATOM 1158 CA SER A 80 -10.578 -0.333 -5.780 1.00 0.00 C ATOM 1159 C SER A 80 -11.619 -1.359 -5.327 1.00 0.00 C ATOM 1160 O SER A 80 -12.804 -1.205 -5.620 1.00 0.00 O ATOM 1161 CB SER A 80 -9.919 -0.815 -7.075 1.00 0.00 C ATOM 1162 OG SER A 80 -9.160 0.215 -7.681 1.00 0.00 O ATOM 0 H SER A 80 -8.605 -0.262 -5.049 1.00 0.00 H new ATOM 0 HA SER A 80 -11.097 0.609 -5.954 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.274 -1.667 -6.862 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.685 -1.161 -7.769 1.00 0.00 H new ATOM 0 HG SER A 80 -8.531 0.585 -7.027 1.00 0.00 H new ATOM 1168 N TRP A 81 -11.191 -2.410 -4.633 1.00 0.00 N ATOM 1169 CA TRP A 81 -12.132 -3.424 -4.165 1.00 0.00 C ATOM 1170 C TRP A 81 -12.729 -3.028 -2.812 1.00 0.00 C ATOM 1171 O TRP A 81 -13.766 -2.372 -2.752 1.00 0.00 O ATOM 1172 CB TRP A 81 -11.440 -4.785 -4.073 1.00 0.00 C ATOM 1173 CG TRP A 81 -11.225 -5.434 -5.405 1.00 0.00 C ATOM 1174 CD1 TRP A 81 -10.055 -5.497 -6.109 1.00 0.00 C ATOM 1175 CD2 TRP A 81 -12.206 -6.117 -6.195 1.00 0.00 C ATOM 1176 NE1 TRP A 81 -10.250 -6.175 -7.287 1.00 0.00 N ATOM 1177 CE2 TRP A 81 -11.561 -6.567 -7.364 1.00 0.00 C ATOM 1178 CE3 TRP A 81 -13.565 -6.393 -6.027 1.00 0.00 C ATOM 1179 CZ2 TRP A 81 -12.232 -7.275 -8.357 1.00 0.00 C ATOM 1180 CZ3 TRP A 81 -14.230 -7.096 -7.015 1.00 0.00 C ATOM 1181 CH2 TRP A 81 -13.563 -7.530 -8.168 1.00 0.00 C ATOM 0 H TRP A 81 -10.216 -2.581 -4.385 1.00 0.00 H new ATOM 0 HA TRP A 81 -12.948 -3.497 -4.884 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -10.477 -4.662 -3.577 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -12.038 -5.447 -3.447 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -9.115 -5.075 -5.786 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -9.535 -6.357 -7.991 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -14.087 -6.063 -5.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -11.720 -7.612 -9.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -15.281 -7.314 -6.896 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -14.110 -8.076 -8.922 1.00 0.00 H new ATOM 1192 N ALA A 82 -12.077 -3.443 -1.729 1.00 0.00 N ATOM 1193 CA ALA A 82 -12.528 -3.098 -0.384 1.00 0.00 C ATOM 1194 C ALA A 82 -11.571 -2.082 0.227 1.00 0.00 C ATOM 1195 O ALA A 82 -11.786 -0.873 0.140 1.00 0.00 O ATOM 1196 CB ALA A 82 -12.635 -4.348 0.482 1.00 0.00 C ATOM 0 H ALA A 82 -11.235 -4.018 -1.757 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.521 -2.652 -0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.972 -4.071 1.481 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.350 -5.039 0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.659 -4.829 0.549 1.00 0.00 H new ATOM 1202 N GLN A 83 -10.513 -2.586 0.852 1.00 0.00 N ATOM 1203 CA GLN A 83 -9.481 -1.736 1.430 1.00 0.00 C ATOM 1204 C GLN A 83 -8.205 -1.938 0.628 1.00 0.00 C ATOM 1205 O GLN A 83 -7.613 -0.985 0.123 1.00 0.00 O ATOM 1206 CB GLN A 83 -9.245 -2.064 2.910 1.00 0.00 C ATOM 1207 CG GLN A 83 -10.482 -1.912 3.784 1.00 0.00 C ATOM 1208 CD GLN A 83 -11.197 -3.231 4.026 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -11.065 -4.175 3.247 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -11.962 -3.301 5.107 1.00 0.00 N ATOM 0 H GLN A 83 -10.348 -3.585 0.971 1.00 0.00 H new ATOM 0 HA GLN A 83 -9.799 -0.695 1.385 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.880 -3.088 2.991 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.459 -1.414 3.295 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -10.194 -1.479 4.742 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.171 -1.212 3.312 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -12.044 -2.495 5.727 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -12.468 -4.161 5.319 1.00 0.00 H new ATOM 1219 N LYS A 84 -7.774 -3.195 0.541 1.00 0.00 N ATOM 1220 CA LYS A 84 -6.609 -3.555 -0.255 1.00 0.00 C ATOM 1221 C LYS A 84 -6.960 -4.768 -1.119 1.00 0.00 C ATOM 1222 O LYS A 84 -6.645 -4.804 -2.309 1.00 0.00 O ATOM 1223 CB LYS A 84 -5.399 -3.847 0.651 1.00 0.00 C ATOM 1224 CG LYS A 84 -4.319 -4.721 0.018 1.00 0.00 C ATOM 1225 CD LYS A 84 -2.922 -4.334 0.495 1.00 0.00 C ATOM 1226 CE LYS A 84 -2.599 -4.891 1.880 1.00 0.00 C ATOM 1227 NZ LYS A 84 -3.349 -4.182 2.945 1.00 0.00 N ATOM 0 H LYS A 84 -8.218 -3.982 1.015 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.333 -2.722 -0.901 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.950 -2.900 0.950 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.753 -4.333 1.560 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.509 -5.766 0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.370 -4.632 -1.067 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.184 -4.698 -0.220 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.837 -3.248 0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.841 -5.953 1.910 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.529 -4.802 2.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.747 -4.085 3.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.625 -3.238 2.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.202 -4.725 3.190 1.00 0.00 H new ATOM 1241 N ASN A 85 -7.641 -5.744 -0.494 1.00 0.00 N ATOM 1242 CA ASN A 85 -8.089 -6.982 -1.155 1.00 0.00 C ATOM 1243 C ASN A 85 -6.962 -7.616 -1.965 1.00 0.00 C ATOM 1244 O ASN A 85 -7.184 -8.194 -3.032 1.00 0.00 O ATOM 1245 CB ASN A 85 -9.299 -6.716 -2.055 1.00 0.00 C ATOM 1246 CG ASN A 85 -10.097 -7.979 -2.328 1.00 0.00 C ATOM 1247 OD1 ASN A 85 -10.297 -8.801 -1.433 1.00 0.00 O ATOM 1248 ND2 ASN A 85 -10.554 -8.145 -3.560 1.00 0.00 N ATOM 0 H ASN A 85 -7.898 -5.695 0.492 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.384 -7.681 -0.373 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.944 -5.975 -1.584 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.961 -6.290 -3.000 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -11.094 -8.978 -3.796 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -10.366 -7.440 -4.273 1.00 0.00 H new ATOM 1255 N LYS A 86 -5.753 -7.511 -1.442 1.00 0.00 N ATOM 1256 CA LYS A 86 -4.578 -8.041 -2.105 1.00 0.00 C ATOM 1257 C LYS A 86 -3.667 -8.697 -1.088 1.00 0.00 C ATOM 1258 O LYS A 86 -3.881 -8.573 0.117 1.00 0.00 O ATOM 1259 CB LYS A 86 -3.822 -6.916 -2.820 1.00 0.00 C ATOM 1260 CG LYS A 86 -3.819 -7.026 -4.336 1.00 0.00 C ATOM 1261 CD LYS A 86 -5.150 -6.601 -4.935 1.00 0.00 C ATOM 1262 CE LYS A 86 -5.421 -7.306 -6.255 1.00 0.00 C ATOM 1263 NZ LYS A 86 -4.313 -7.110 -7.230 1.00 0.00 N ATOM 0 H LYS A 86 -5.560 -7.057 -0.549 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.893 -8.781 -2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.265 -5.961 -2.538 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.791 -6.906 -2.467 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.022 -6.405 -4.744 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.602 -8.054 -4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.953 -6.822 -4.232 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.151 -5.522 -5.091 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.561 -8.372 -6.075 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.351 -6.930 -6.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.625 -7.411 -8.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.048 -6.105 -7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.491 -7.677 -6.940 1.00 0.00 H new ATOM 1277 N THR A 87 -2.649 -9.387 -1.569 1.00 0.00 N ATOM 1278 CA THR A 87 -1.710 -10.032 -0.677 1.00 0.00 C ATOM 1279 C THR A 87 -0.319 -9.452 -0.877 1.00 0.00 C ATOM 1280 O THR A 87 0.002 -8.925 -1.947 1.00 0.00 O ATOM 1281 CB THR A 87 -1.668 -11.559 -0.884 1.00 0.00 C ATOM 1282 OG1 THR A 87 -1.205 -11.869 -2.206 1.00 0.00 O ATOM 1283 CG2 THR A 87 -3.045 -12.174 -0.674 1.00 0.00 C ATOM 0 H THR A 87 -2.454 -9.513 -2.562 1.00 0.00 H new ATOM 0 HA THR A 87 -2.049 -9.843 0.342 1.00 0.00 H new ATOM 0 HB THR A 87 -0.980 -11.978 -0.150 1.00 0.00 H new ATOM 0 HG1 THR A 87 -1.181 -12.842 -2.325 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.989 -13.252 -0.826 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.385 -11.968 0.341 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.748 -11.743 -1.387 1.00 0.00 H new ATOM 1291 N ILE A 88 0.499 -9.557 0.162 1.00 0.00 N ATOM 1292 CA ILE A 88 1.862 -9.041 0.140 1.00 0.00 C ATOM 1293 C ILE A 88 2.675 -9.694 -0.983 1.00 0.00 C ATOM 1294 O ILE A 88 3.457 -9.028 -1.662 1.00 0.00 O ATOM 1295 CB ILE A 88 2.518 -9.246 1.532 1.00 0.00 C ATOM 1296 CG1 ILE A 88 2.324 -7.982 2.387 1.00 0.00 C ATOM 1297 CG2 ILE A 88 3.994 -9.607 1.424 1.00 0.00 C ATOM 1298 CD1 ILE A 88 0.877 -7.612 2.625 1.00 0.00 C ATOM 0 H ILE A 88 0.237 -10.001 1.042 1.00 0.00 H new ATOM 0 HA ILE A 88 1.841 -7.972 -0.070 1.00 0.00 H new ATOM 0 HB ILE A 88 2.024 -10.089 2.016 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.813 -8.129 3.350 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.826 -7.146 1.899 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.410 -9.741 2.423 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.102 -10.533 0.859 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.528 -8.806 0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.828 -6.710 3.236 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.386 -7.430 1.669 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.373 -8.428 3.142 1.00 0.00 H new ATOM 1310 N GLY A 89 2.465 -10.995 -1.184 1.00 0.00 N ATOM 1311 CA GLY A 89 3.159 -11.715 -2.241 1.00 0.00 C ATOM 1312 C GLY A 89 2.803 -11.215 -3.636 1.00 0.00 C ATOM 1313 O GLY A 89 3.666 -11.136 -4.511 1.00 0.00 O ATOM 0 H GLY A 89 1.824 -11.564 -0.631 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.235 -11.621 -2.091 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.918 -12.776 -2.169 1.00 0.00 H new ATOM 1317 N ASP A 90 1.525 -10.887 -3.841 1.00 0.00 N ATOM 1318 CA ASP A 90 1.040 -10.405 -5.139 1.00 0.00 C ATOM 1319 C ASP A 90 1.704 -9.091 -5.553 1.00 0.00 C ATOM 1320 O ASP A 90 2.147 -8.948 -6.694 1.00 0.00 O ATOM 1321 CB ASP A 90 -0.481 -10.224 -5.099 1.00 0.00 C ATOM 1322 CG ASP A 90 -1.055 -9.827 -6.445 1.00 0.00 C ATOM 1323 OD1 ASP A 90 -0.950 -10.633 -7.394 1.00 0.00 O ATOM 1324 OD2 ASP A 90 -1.618 -8.716 -6.547 1.00 0.00 O ATOM 0 H ASP A 90 0.804 -10.946 -3.122 1.00 0.00 H new ATOM 0 HA ASP A 90 1.304 -11.158 -5.882 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -0.946 -11.153 -4.770 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.734 -9.462 -4.361 1.00 0.00 H new ATOM 1329 N LEU A 91 1.774 -8.137 -4.627 1.00 0.00 N ATOM 1330 CA LEU A 91 2.386 -6.836 -4.918 1.00 0.00 C ATOM 1331 C LEU A 91 3.909 -6.936 -4.942 1.00 0.00 C ATOM 1332 O LEU A 91 4.573 -6.127 -5.585 1.00 0.00 O ATOM 1333 CB LEU A 91 1.954 -5.780 -3.894 1.00 0.00 C ATOM 1334 CG LEU A 91 1.229 -4.548 -4.461 1.00 0.00 C ATOM 1335 CD1 LEU A 91 1.978 -3.981 -5.659 1.00 0.00 C ATOM 1336 CD2 LEU A 91 -0.200 -4.902 -4.845 1.00 0.00 C ATOM 0 H LEU A 91 1.419 -8.235 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 91 2.039 -6.530 -5.905 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.301 -6.257 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.839 -5.440 -3.356 1.00 0.00 H new ATOM 0 HG LEU A 91 1.201 -3.783 -3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.446 -3.111 -6.042 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.982 -3.687 -5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.043 -4.739 -6.439 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.699 -4.019 -5.244 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.190 -5.686 -5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.737 -5.255 -3.964 1.00 0.00 H new ATOM 1348 N LEU A 92 4.449 -7.939 -4.255 1.00 0.00 N ATOM 1349 CA LEU A 92 5.897 -8.145 -4.181 1.00 0.00 C ATOM 1350 C LEU A 92 6.494 -8.346 -5.573 1.00 0.00 C ATOM 1351 O LEU A 92 7.581 -7.843 -5.865 1.00 0.00 O ATOM 1352 CB LEU A 92 6.218 -9.351 -3.291 1.00 0.00 C ATOM 1353 CG LEU A 92 7.708 -9.656 -3.107 1.00 0.00 C ATOM 1354 CD1 LEU A 92 8.417 -8.490 -2.431 1.00 0.00 C ATOM 1355 CD2 LEU A 92 7.892 -10.933 -2.300 1.00 0.00 C ATOM 0 H LEU A 92 3.903 -8.628 -3.737 1.00 0.00 H new ATOM 0 HA LEU A 92 6.343 -7.252 -3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 92 5.775 -9.184 -2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.734 -10.232 -3.714 1.00 0.00 H new ATOM 0 HG LEU A 92 8.153 -9.801 -4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.474 -8.728 -2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.314 -7.596 -3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.971 -8.311 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.956 -11.136 -2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.431 -10.814 -1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.421 -11.765 -2.824 1.00 0.00 H new ATOM 1367 N GLN A 93 5.780 -9.079 -6.425 1.00 0.00 N ATOM 1368 CA GLN A 93 6.240 -9.337 -7.788 1.00 0.00 C ATOM 1369 C GLN A 93 6.386 -8.026 -8.560 1.00 0.00 C ATOM 1370 O GLN A 93 7.345 -7.832 -9.304 1.00 0.00 O ATOM 1371 CB GLN A 93 5.240 -10.241 -8.511 1.00 0.00 C ATOM 1372 CG GLN A 93 5.189 -11.660 -7.968 1.00 0.00 C ATOM 1373 CD GLN A 93 4.073 -12.471 -8.593 1.00 0.00 C ATOM 1374 OE1 GLN A 93 4.223 -13.022 -9.682 1.00 0.00 O ATOM 1375 NE2 GLN A 93 2.938 -12.537 -7.910 1.00 0.00 N ATOM 0 H GLN A 93 4.882 -9.504 -6.196 1.00 0.00 H new ATOM 0 HA GLN A 93 7.211 -9.830 -7.738 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.246 -9.799 -8.438 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.496 -10.276 -9.570 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.143 -12.153 -8.155 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.052 -11.629 -6.887 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.856 -12.065 -7.010 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.147 -13.060 -8.285 1.00 0.00 H new ATOM 1384 N VAL A 94 5.414 -7.139 -8.383 1.00 0.00 N ATOM 1385 CA VAL A 94 5.428 -5.833 -9.032 1.00 0.00 C ATOM 1386 C VAL A 94 6.497 -4.933 -8.399 1.00 0.00 C ATOM 1387 O VAL A 94 7.206 -4.198 -9.093 1.00 0.00 O ATOM 1388 CB VAL A 94 4.043 -5.152 -8.941 1.00 0.00 C ATOM 1389 CG1 VAL A 94 4.064 -3.774 -9.585 1.00 0.00 C ATOM 1390 CG2 VAL A 94 2.973 -6.028 -9.582 1.00 0.00 C ATOM 0 H VAL A 94 4.600 -7.302 -7.791 1.00 0.00 H new ATOM 0 HA VAL A 94 5.668 -5.984 -10.085 1.00 0.00 H new ATOM 0 HB VAL A 94 3.800 -5.024 -7.886 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.076 -3.320 -9.505 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.794 -3.145 -9.076 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.337 -3.868 -10.636 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.005 -5.532 -9.508 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.218 -6.192 -10.631 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.930 -6.987 -9.065 1.00 0.00 H new ATOM 1400 N LEU A 95 6.607 -5.012 -7.070 1.00 0.00 N ATOM 1401 CA LEU A 95 7.569 -4.209 -6.310 1.00 0.00 C ATOM 1402 C LEU A 95 9.010 -4.511 -6.704 1.00 0.00 C ATOM 1403 O LEU A 95 9.830 -3.596 -6.809 1.00 0.00 O ATOM 1404 CB LEU A 95 7.398 -4.459 -4.809 1.00 0.00 C ATOM 1405 CG LEU A 95 6.111 -3.911 -4.191 1.00 0.00 C ATOM 1406 CD1 LEU A 95 5.941 -4.425 -2.768 1.00 0.00 C ATOM 1407 CD2 LEU A 95 6.118 -2.393 -4.207 1.00 0.00 C ATOM 0 H LEU A 95 6.036 -5.630 -6.494 1.00 0.00 H new ATOM 0 HA LEU A 95 7.365 -3.164 -6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.437 -5.534 -4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.247 -4.019 -4.286 1.00 0.00 H new ATOM 0 HG LEU A 95 5.268 -4.260 -4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.020 -4.025 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.893 -5.514 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.788 -4.105 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.195 -2.020 -3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.970 -2.027 -3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.195 -2.040 -5.236 1.00 0.00 H new ATOM 1419 N GLN A 96 9.326 -5.789 -6.910 1.00 0.00 N ATOM 1420 CA GLN A 96 10.683 -6.173 -7.290 1.00 0.00 C ATOM 1421 C GLN A 96 11.013 -5.692 -8.702 1.00 0.00 C ATOM 1422 O GLN A 96 12.179 -5.452 -9.019 1.00 0.00 O ATOM 1423 CB GLN A 96 10.886 -7.692 -7.172 1.00 0.00 C ATOM 1424 CG GLN A 96 10.113 -8.511 -8.194 1.00 0.00 C ATOM 1425 CD GLN A 96 10.325 -10.005 -8.034 1.00 0.00 C ATOM 1426 OE1 GLN A 96 10.885 -10.464 -7.040 1.00 0.00 O ATOM 1427 NE2 GLN A 96 9.878 -10.774 -9.018 1.00 0.00 N ATOM 0 H GLN A 96 8.671 -6.566 -6.822 1.00 0.00 H new ATOM 0 HA GLN A 96 11.369 -5.688 -6.596 1.00 0.00 H new ATOM 0 HB2 GLN A 96 11.948 -7.913 -7.276 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.590 -8.009 -6.172 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.050 -8.288 -8.102 1.00 0.00 H new ATOM 0 HG3 GLN A 96 10.416 -8.211 -9.197 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.419 -10.353 -9.826 1.00 0.00 H new ATOM 0 HE22 GLN A 96 9.994 -11.786 -8.967 1.00 0.00 H new ATOM 1436 N GLU A 97 9.988 -5.562 -9.551 1.00 0.00 N ATOM 1437 CA GLU A 97 10.191 -5.090 -10.918 1.00 0.00 C ATOM 1438 C GLU A 97 10.699 -3.649 -10.896 1.00 0.00 C ATOM 1439 O GLU A 97 11.668 -3.311 -11.575 1.00 0.00 O ATOM 1440 CB GLU A 97 8.887 -5.184 -11.724 1.00 0.00 C ATOM 1441 CG GLU A 97 9.033 -4.768 -13.181 1.00 0.00 C ATOM 1442 CD GLU A 97 9.940 -5.690 -13.979 1.00 0.00 C ATOM 1443 OE1 GLU A 97 10.159 -6.838 -13.540 1.00 0.00 O ATOM 1444 OE2 GLU A 97 10.425 -5.262 -15.046 1.00 0.00 O ATOM 0 H GLU A 97 9.019 -5.776 -9.315 1.00 0.00 H new ATOM 0 HA GLU A 97 10.935 -5.724 -11.401 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.519 -6.209 -11.684 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.132 -4.556 -11.251 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.048 -4.746 -13.646 1.00 0.00 H new ATOM 0 HG3 GLU A 97 9.428 -3.753 -13.224 1.00 0.00 H new ATOM 1451 N MET A 98 10.019 -2.803 -10.121 1.00 0.00 N ATOM 1452 CA MET A 98 10.416 -1.404 -9.976 1.00 0.00 C ATOM 1453 C MET A 98 11.692 -1.269 -9.149 1.00 0.00 C ATOM 1454 O MET A 98 12.531 -0.412 -9.423 1.00 0.00 O ATOM 1455 CB MET A 98 9.299 -0.564 -9.351 1.00 0.00 C ATOM 1456 CG MET A 98 8.114 -0.332 -10.280 1.00 0.00 C ATOM 1457 SD MET A 98 8.614 0.366 -11.867 1.00 0.00 S ATOM 1458 CE MET A 98 9.385 1.898 -11.354 1.00 0.00 C ATOM 0 H MET A 98 9.191 -3.063 -9.585 1.00 0.00 H new ATOM 0 HA MET A 98 10.611 -1.026 -10.980 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.948 -1.059 -8.445 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.707 0.401 -9.050 1.00 0.00 H new ATOM 0 HG2 MET A 98 7.597 -1.277 -10.448 1.00 0.00 H new ATOM 0 HG3 MET A 98 7.403 0.339 -9.798 1.00 0.00 H new ATOM 0 HE1 MET A 98 9.003 2.719 -11.961 1.00 0.00 H new ATOM 0 HE2 MET A 98 9.157 2.087 -10.305 1.00 0.00 H new ATOM 0 HE3 MET A 98 10.465 1.823 -11.483 1.00 0.00 H new ATOM 1468 N GLY A 99 11.828 -2.118 -8.134 1.00 0.00 N ATOM 1469 CA GLY A 99 12.995 -2.060 -7.275 1.00 0.00 C ATOM 1470 C GLY A 99 12.717 -1.302 -5.992 1.00 0.00 C ATOM 1471 O GLY A 99 13.551 -0.521 -5.530 1.00 0.00 O ATOM 0 H GLY A 99 11.152 -2.843 -7.893 1.00 0.00 H new ATOM 0 HA2 GLY A 99 13.320 -3.073 -7.035 1.00 0.00 H new ATOM 0 HA3 GLY A 99 13.815 -1.581 -7.809 1.00 0.00 H new ATOM 1475 N HIS A 100 11.535 -1.524 -5.425 1.00 0.00 N ATOM 1476 CA HIS A 100 11.131 -0.848 -4.192 1.00 0.00 C ATOM 1477 C HIS A 100 11.865 -1.413 -2.974 1.00 0.00 C ATOM 1478 O HIS A 100 11.385 -2.338 -2.317 1.00 0.00 O ATOM 1479 CB HIS A 100 9.622 -0.986 -3.990 1.00 0.00 C ATOM 1480 CG HIS A 100 9.011 0.139 -3.213 1.00 0.00 C ATOM 1481 ND1 HIS A 100 9.575 0.688 -2.081 1.00 0.00 N ATOM 1482 CD2 HIS A 100 7.840 0.796 -3.404 1.00 0.00 C ATOM 1483 CE1 HIS A 100 8.744 1.636 -1.628 1.00 0.00 C ATOM 1484 NE2 HIS A 100 7.678 1.740 -2.393 1.00 0.00 N ATOM 0 H HIS A 100 10.838 -2.168 -5.799 1.00 0.00 H new ATOM 0 HA HIS A 100 11.395 0.205 -4.290 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.138 -1.047 -4.965 1.00 0.00 H new ATOM 0 HB3 HIS A 100 9.418 -1.924 -3.474 1.00 0.00 H new ATOM 0 HD2 HIS A 100 7.145 0.616 -4.211 1.00 0.00 H new ATOM 0 HE1 HIS A 100 8.925 2.237 -0.749 1.00 0.00 H new ATOM 0 HE2 HIS A 100 6.894 2.381 -2.270 1.00 0.00 H new ATOM 1491 N ARG A 101 13.031 -0.842 -2.686 1.00 0.00 N ATOM 1492 CA ARG A 101 13.851 -1.260 -1.549 1.00 0.00 C ATOM 1493 C ARG A 101 13.164 -1.047 -0.200 1.00 0.00 C ATOM 1494 O ARG A 101 13.217 -1.919 0.668 1.00 0.00 O ATOM 1495 CB ARG A 101 15.172 -0.494 -1.564 1.00 0.00 C ATOM 1496 CG ARG A 101 16.179 -1.021 -2.575 1.00 0.00 C ATOM 1497 CD ARG A 101 16.596 -2.442 -2.226 1.00 0.00 C ATOM 1498 NE ARG A 101 17.784 -2.882 -2.954 1.00 0.00 N ATOM 1499 CZ ARG A 101 19.030 -2.622 -2.564 1.00 0.00 C ATOM 1500 NH1 ARG A 101 20.054 -3.158 -3.210 1.00 0.00 N ATOM 1501 NH2 ARG A 101 19.250 -1.827 -1.521 1.00 0.00 N ATOM 0 H ARG A 101 13.434 -0.080 -3.230 1.00 0.00 H new ATOM 0 HA ARG A 101 14.019 -2.331 -1.659 1.00 0.00 H new ATOM 0 HB2 ARG A 101 14.970 0.555 -1.780 1.00 0.00 H new ATOM 0 HB3 ARG A 101 15.616 -0.535 -0.569 1.00 0.00 H new ATOM 0 HG2 ARG A 101 15.744 -0.999 -3.574 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.056 -0.374 -2.594 1.00 0.00 H new ATOM 0 HD2 ARG A 101 16.788 -2.506 -1.155 1.00 0.00 H new ATOM 0 HD3 ARG A 101 15.771 -3.121 -2.443 1.00 0.00 H new ATOM 0 HE ARG A 101 17.651 -3.419 -3.811 1.00 0.00 H new ATOM 0 HH11 ARG A 101 19.889 -3.771 -4.008 1.00 0.00 H new ATOM 0 HH12 ARG A 101 21.008 -2.957 -2.910 1.00 0.00 H new ATOM 0 HH21 ARG A 101 18.463 -1.415 -1.019 1.00 0.00 H new ATOM 0 HH22 ARG A 101 20.205 -1.629 -1.223 1.00 0.00 H new ATOM 1515 N ARG A 102 12.519 0.104 -0.029 1.00 0.00 N ATOM 1516 CA ARG A 102 11.844 0.416 1.230 1.00 0.00 C ATOM 1517 C ARG A 102 10.708 -0.565 1.502 1.00 0.00 C ATOM 1518 O ARG A 102 10.501 -0.992 2.640 1.00 0.00 O ATOM 1519 CB ARG A 102 11.314 1.849 1.224 1.00 0.00 C ATOM 1520 CG ARG A 102 10.866 2.330 2.596 1.00 0.00 C ATOM 1521 CD ARG A 102 12.040 2.801 3.442 1.00 0.00 C ATOM 1522 NE ARG A 102 12.708 1.699 4.131 1.00 0.00 N ATOM 1523 CZ ARG A 102 13.821 1.844 4.848 1.00 0.00 C ATOM 1524 NH1 ARG A 102 14.375 0.792 5.436 1.00 0.00 N ATOM 1525 NH2 ARG A 102 14.380 3.042 4.977 1.00 0.00 N ATOM 0 H ARG A 102 12.449 0.832 -0.740 1.00 0.00 H new ATOM 0 HA ARG A 102 12.578 0.321 2.030 1.00 0.00 H new ATOM 0 HB2 ARG A 102 12.091 2.515 0.849 1.00 0.00 H new ATOM 0 HB3 ARG A 102 10.475 1.916 0.531 1.00 0.00 H new ATOM 0 HG2 ARG A 102 10.152 3.145 2.480 1.00 0.00 H new ATOM 0 HG3 ARG A 102 10.347 1.523 3.112 1.00 0.00 H new ATOM 0 HD2 ARG A 102 12.759 3.317 2.806 1.00 0.00 H new ATOM 0 HD3 ARG A 102 11.688 3.525 4.177 1.00 0.00 H new ATOM 0 HE ARG A 102 12.299 0.767 4.059 1.00 0.00 H new ATOM 0 HH11 ARG A 102 13.949 -0.130 5.339 1.00 0.00 H new ATOM 0 HH12 ARG A 102 15.227 0.905 5.985 1.00 0.00 H new ATOM 0 HH21 ARG A 102 13.957 3.853 4.526 1.00 0.00 H new ATOM 0 HH22 ARG A 102 15.232 3.151 5.527 1.00 0.00 H new ATOM 1539 N ALA A 103 9.975 -0.917 0.448 1.00 0.00 N ATOM 1540 CA ALA A 103 8.865 -1.857 0.566 1.00 0.00 C ATOM 1541 C ALA A 103 9.361 -3.214 1.043 1.00 0.00 C ATOM 1542 O ALA A 103 8.696 -3.879 1.823 1.00 0.00 O ATOM 1543 CB ALA A 103 8.129 -2.006 -0.755 1.00 0.00 C ATOM 0 H ALA A 103 10.130 -0.565 -0.497 1.00 0.00 H new ATOM 0 HA ALA A 103 8.168 -1.457 1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.307 -2.712 -0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.734 -1.038 -1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.817 -2.375 -1.515 1.00 0.00 H new ATOM 1549 N ILE A 104 10.533 -3.618 0.555 1.00 0.00 N ATOM 1550 CA ILE A 104 11.130 -4.895 0.939 1.00 0.00 C ATOM 1551 C ILE A 104 11.406 -4.929 2.445 1.00 0.00 C ATOM 1552 O ILE A 104 11.128 -5.924 3.114 1.00 0.00 O ATOM 1553 CB ILE A 104 12.443 -5.158 0.160 1.00 0.00 C ATOM 1554 CG1 ILE A 104 12.140 -5.389 -1.323 1.00 0.00 C ATOM 1555 CG2 ILE A 104 13.190 -6.354 0.739 1.00 0.00 C ATOM 1556 CD1 ILE A 104 13.375 -5.390 -2.203 1.00 0.00 C ATOM 0 H ILE A 104 11.088 -3.078 -0.108 1.00 0.00 H new ATOM 0 HA ILE A 104 10.417 -5.680 0.688 1.00 0.00 H new ATOM 0 HB ILE A 104 13.080 -4.279 0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.624 -6.342 -1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 104 11.457 -4.614 -1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 104 14.108 -6.518 0.175 1.00 0.00 H new ATOM 0 HG22 ILE A 104 13.436 -6.159 1.783 1.00 0.00 H new ATOM 0 HG23 ILE A 104 12.561 -7.242 0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 104 13.083 -5.559 -3.239 1.00 0.00 H new ATOM 0 HD12 ILE A 104 13.881 -4.428 -2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 104 14.050 -6.184 -1.882 1.00 0.00 H new ATOM 1568 N HIS A 105 11.957 -3.839 2.974 1.00 0.00 N ATOM 1569 CA HIS A 105 12.257 -3.752 4.401 1.00 0.00 C ATOM 1570 C HIS A 105 10.981 -3.784 5.248 1.00 0.00 C ATOM 1571 O HIS A 105 10.938 -4.436 6.290 1.00 0.00 O ATOM 1572 CB HIS A 105 13.050 -2.479 4.707 1.00 0.00 C ATOM 1573 CG HIS A 105 14.479 -2.533 4.258 1.00 0.00 C ATOM 1574 ND1 HIS A 105 15.468 -3.210 4.933 1.00 0.00 N ATOM 1575 CD2 HIS A 105 15.079 -1.975 3.175 1.00 0.00 C ATOM 1576 CE1 HIS A 105 16.615 -3.045 4.258 1.00 0.00 C ATOM 1577 NE2 HIS A 105 16.431 -2.304 3.183 1.00 0.00 N ATOM 0 H HIS A 105 12.204 -3.007 2.438 1.00 0.00 H new ATOM 0 HA HIS A 105 12.860 -4.622 4.661 1.00 0.00 H new ATOM 0 HB2 HIS A 105 12.560 -1.633 4.226 1.00 0.00 H new ATOM 0 HB3 HIS A 105 13.023 -2.295 5.781 1.00 0.00 H new ATOM 0 HD2 HIS A 105 14.586 -1.372 2.427 1.00 0.00 H new ATOM 0 HE1 HIS A 105 17.565 -3.464 4.556 1.00 0.00 H new ATOM 0 HE2 HIS A 105 17.135 -2.029 2.498 1.00 0.00 H new ATOM 1584 N LEU A 106 9.941 -3.086 4.791 1.00 0.00 N ATOM 1585 CA LEU A 106 8.671 -3.033 5.521 1.00 0.00 C ATOM 1586 C LEU A 106 7.805 -4.272 5.264 1.00 0.00 C ATOM 1587 O LEU A 106 6.936 -4.606 6.070 1.00 0.00 O ATOM 1588 CB LEU A 106 7.907 -1.748 5.168 1.00 0.00 C ATOM 1589 CG LEU A 106 7.252 -1.025 6.358 1.00 0.00 C ATOM 1590 CD1 LEU A 106 5.993 -1.745 6.811 1.00 0.00 C ATOM 1591 CD2 LEU A 106 8.234 -0.888 7.512 1.00 0.00 C ATOM 0 H LEU A 106 9.951 -2.551 3.923 1.00 0.00 H new ATOM 0 HA LEU A 106 8.904 -3.024 6.586 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.595 -1.058 4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.132 -1.993 4.442 1.00 0.00 H new ATOM 0 HG LEU A 106 6.968 -0.026 6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 106 5.552 -1.212 7.653 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.278 -1.780 5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.245 -2.761 7.117 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.750 -0.374 8.342 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.555 -1.878 7.836 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.101 -0.314 7.186 1.00 0.00 H new ATOM 1603 N ILE A 107 8.043 -4.956 4.148 1.00 0.00 N ATOM 1604 CA ILE A 107 7.274 -6.151 3.797 1.00 0.00 C ATOM 1605 C ILE A 107 7.482 -7.265 4.832 1.00 0.00 C ATOM 1606 O ILE A 107 6.656 -8.172 4.960 1.00 0.00 O ATOM 1607 CB ILE A 107 7.627 -6.662 2.369 1.00 0.00 C ATOM 1608 CG1 ILE A 107 6.398 -7.274 1.703 1.00 0.00 C ATOM 1609 CG2 ILE A 107 8.766 -7.673 2.392 1.00 0.00 C ATOM 1610 CD1 ILE A 107 5.514 -6.252 1.021 1.00 0.00 C ATOM 0 H ILE A 107 8.762 -4.705 3.470 1.00 0.00 H new ATOM 0 HA ILE A 107 6.221 -5.869 3.800 1.00 0.00 H new ATOM 0 HB ILE A 107 7.959 -5.801 1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 107 6.721 -8.012 0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 107 5.814 -7.806 2.454 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.980 -8.003 1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 107 9.656 -7.209 2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 107 8.479 -8.531 3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.659 -6.755 0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 107 5.162 -5.528 1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 107 6.083 -5.737 0.247 1.00 0.00 H new ATOM 1622 N THR A 108 8.582 -7.175 5.581 1.00 0.00 N ATOM 1623 CA THR A 108 8.907 -8.165 6.605 1.00 0.00 C ATOM 1624 C THR A 108 7.999 -8.029 7.829 1.00 0.00 C ATOM 1625 O THR A 108 7.964 -8.915 8.681 1.00 0.00 O ATOM 1626 CB THR A 108 10.378 -8.046 7.058 1.00 0.00 C ATOM 1627 OG1 THR A 108 10.611 -6.767 7.663 1.00 0.00 O ATOM 1628 CG2 THR A 108 11.326 -8.237 5.883 1.00 0.00 C ATOM 0 H THR A 108 9.265 -6.422 5.496 1.00 0.00 H new ATOM 0 HA THR A 108 8.748 -9.143 6.150 1.00 0.00 H new ATOM 0 HB THR A 108 10.569 -8.830 7.790 1.00 0.00 H new ATOM 0 HG1 THR A 108 10.696 -6.085 6.964 1.00 0.00 H new ATOM 0 HG21 THR A 108 12.356 -8.148 6.228 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.173 -9.225 5.449 1.00 0.00 H new ATOM 0 HG23 THR A 108 11.129 -7.475 5.129 1.00 0.00 H new ATOM 1636 N ASN A 109 7.268 -6.915 7.915 1.00 0.00 N ATOM 1637 CA ASN A 109 6.361 -6.673 9.038 1.00 0.00 C ATOM 1638 C ASN A 109 5.096 -7.525 8.945 1.00 0.00 C ATOM 1639 O ASN A 109 4.303 -7.562 9.887 1.00 0.00 O ATOM 1640 CB ASN A 109 5.993 -5.192 9.133 1.00 0.00 C ATOM 1641 CG ASN A 109 7.119 -4.351 9.704 1.00 0.00 C ATOM 1642 OD1 ASN A 109 7.875 -3.723 8.968 1.00 0.00 O ATOM 1643 ND2 ASN A 109 7.235 -4.334 11.024 1.00 0.00 N ATOM 0 H ASN A 109 7.287 -6.168 7.221 1.00 0.00 H new ATOM 0 HA ASN A 109 6.892 -6.964 9.944 1.00 0.00 H new ATOM 0 HB2 ASN A 109 5.733 -4.821 8.142 1.00 0.00 H new ATOM 0 HB3 ASN A 109 5.107 -5.080 9.758 1.00 0.00 H new ATOM 0 HD21 ASN A 109 7.973 -3.785 11.464 1.00 0.00 H new ATOM 0 HD22 ASN A 109 6.586 -4.870 11.600 1.00 0.00 H new ATOM 1650 N TYR A 110 4.895 -8.183 7.803 1.00 0.00 N ATOM 1651 CA TYR A 110 3.728 -9.044 7.614 1.00 0.00 C ATOM 1652 C TYR A 110 3.768 -10.209 8.605 1.00 0.00 C ATOM 1653 O TYR A 110 4.779 -10.903 8.721 1.00 0.00 O ATOM 1654 CB TYR A 110 3.684 -9.567 6.169 1.00 0.00 C ATOM 1655 CG TYR A 110 2.576 -10.569 5.905 1.00 0.00 C ATOM 1656 CD1 TYR A 110 1.257 -10.160 5.739 1.00 0.00 C ATOM 1657 CD2 TYR A 110 2.853 -11.929 5.832 1.00 0.00 C ATOM 1658 CE1 TYR A 110 0.252 -11.079 5.509 1.00 0.00 C ATOM 1659 CE2 TYR A 110 1.851 -12.852 5.599 1.00 0.00 C ATOM 1660 CZ TYR A 110 0.553 -12.421 5.441 1.00 0.00 C ATOM 1661 OH TYR A 110 -0.449 -13.334 5.218 1.00 0.00 O ATOM 0 H TYR A 110 5.521 -8.137 6.999 1.00 0.00 H new ATOM 0 HA TYR A 110 2.825 -8.462 7.799 1.00 0.00 H new ATOM 0 HB2 TYR A 110 3.563 -8.722 5.492 1.00 0.00 H new ATOM 0 HB3 TYR A 110 4.642 -10.030 5.933 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.015 -9.109 5.791 1.00 0.00 H new ATOM 0 HD2 TYR A 110 3.870 -12.271 5.960 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.768 -10.746 5.383 1.00 0.00 H new ATOM 0 HE2 TYR A 110 2.085 -13.905 5.541 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.070 -14.237 5.197 1.00 0.00 H new