USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 551 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 35 SER OG : rot 160:sc= -0.0888 USER MOD Set 1.2: A 69 MET CE :methyl -120:sc= -0.459 (180deg=-1.52) USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0385 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 34 LYS NZ :NH3+ 145:sc= 0.0811 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -100:sc= 0.249 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -118:sc= -0.823 (180deg=-4.25!) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 210 N VAL A 17 2.443 9.542 0.075 1.00 0.00 N ATOM 211 CA VAL A 17 3.255 8.368 0.373 1.00 0.00 C ATOM 212 C VAL A 17 2.408 7.251 0.972 1.00 0.00 C ATOM 213 O VAL A 17 1.605 7.483 1.877 1.00 0.00 O ATOM 214 CB VAL A 17 4.399 8.709 1.346 1.00 0.00 C ATOM 215 CG1 VAL A 17 5.297 7.501 1.560 1.00 0.00 C ATOM 216 CG2 VAL A 17 5.200 9.895 0.831 1.00 0.00 C ATOM 0 HA VAL A 17 3.681 8.030 -0.572 1.00 0.00 H new ATOM 0 HB VAL A 17 3.965 8.983 2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.099 7.762 2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.711 6.682 1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.725 7.192 0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.004 10.122 1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.624 9.652 -0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.546 10.762 0.736 1.00 0.00 H new ATOM 226 N LEU A 18 2.594 6.039 0.463 1.00 0.00 N ATOM 227 CA LEU A 18 1.847 4.883 0.948 1.00 0.00 C ATOM 228 C LEU A 18 2.717 4.012 1.850 1.00 0.00 C ATOM 229 O LEU A 18 3.849 3.677 1.502 1.00 0.00 O ATOM 230 CB LEU A 18 1.326 4.057 -0.228 1.00 0.00 C ATOM 231 CG LEU A 18 0.683 4.846 -1.370 1.00 0.00 C ATOM 232 CD1 LEU A 18 0.429 3.941 -2.566 1.00 0.00 C ATOM 233 CD2 LEU A 18 -0.611 5.497 -0.906 1.00 0.00 C ATOM 0 H LEU A 18 3.255 5.830 -0.285 1.00 0.00 H new ATOM 0 HA LEU A 18 1.001 5.247 1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.155 3.478 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.594 3.343 0.151 1.00 0.00 H new ATOM 0 HG LEU A 18 1.372 5.633 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.029 4.519 -3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.374 3.523 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.240 3.132 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.054 6.054 -1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.307 4.727 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.401 6.177 -0.081 1.00 0.00 H new ATOM 245 N PHE A 19 2.180 3.647 3.009 1.00 0.00 N ATOM 246 CA PHE A 19 2.906 2.814 3.960 1.00 0.00 C ATOM 247 C PHE A 19 2.448 1.361 3.871 1.00 0.00 C ATOM 248 O PHE A 19 1.420 0.986 4.435 1.00 0.00 O ATOM 249 CB PHE A 19 2.707 3.336 5.385 1.00 0.00 C ATOM 250 CG PHE A 19 3.705 2.795 6.367 1.00 0.00 C ATOM 251 CD1 PHE A 19 5.028 3.202 6.327 1.00 0.00 C ATOM 252 CD2 PHE A 19 3.320 1.876 7.331 1.00 0.00 C ATOM 253 CE1 PHE A 19 5.949 2.705 7.229 1.00 0.00 C ATOM 254 CE2 PHE A 19 4.236 1.376 8.237 1.00 0.00 C ATOM 255 CZ PHE A 19 5.553 1.792 8.186 1.00 0.00 C ATOM 0 H PHE A 19 1.244 3.915 3.313 1.00 0.00 H new ATOM 0 HA PHE A 19 3.966 2.859 3.708 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.771 4.424 5.377 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.703 3.078 5.721 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.344 3.917 5.581 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.292 1.547 7.374 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.978 3.030 7.186 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.923 0.661 8.984 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.271 1.404 8.893 1.00 0.00 H new ATOM 265 N VAL A 20 3.219 0.547 3.158 1.00 0.00 N ATOM 266 CA VAL A 20 2.894 -0.865 2.993 1.00 0.00 C ATOM 267 C VAL A 20 3.474 -1.698 4.132 1.00 0.00 C ATOM 268 O VAL A 20 4.692 -1.836 4.255 1.00 0.00 O ATOM 269 CB VAL A 20 3.420 -1.410 1.653 1.00 0.00 C ATOM 270 CG1 VAL A 20 2.912 -2.824 1.414 1.00 0.00 C ATOM 271 CG2 VAL A 20 3.021 -0.490 0.510 1.00 0.00 C ATOM 0 H VAL A 20 4.074 0.841 2.685 1.00 0.00 H new ATOM 0 HA VAL A 20 1.807 -0.943 3.005 1.00 0.00 H new ATOM 0 HB VAL A 20 4.509 -1.444 1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.294 -3.192 0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.255 -3.475 2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.822 -2.820 1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.401 -0.891 -0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.934 -0.420 0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.441 0.502 0.678 1.00 0.00 H new ATOM 281 N ARG A 21 2.595 -2.251 4.960 1.00 0.00 N ATOM 282 CA ARG A 21 3.020 -3.070 6.089 1.00 0.00 C ATOM 283 C ARG A 21 2.843 -4.554 5.781 1.00 0.00 C ATOM 284 O ARG A 21 2.114 -4.924 4.861 1.00 0.00 O ATOM 285 CB ARG A 21 2.224 -2.701 7.343 1.00 0.00 C ATOM 286 CG ARG A 21 3.054 -2.002 8.407 1.00 0.00 C ATOM 287 CD ARG A 21 3.149 -2.836 9.675 1.00 0.00 C ATOM 288 NE ARG A 21 4.417 -2.632 10.372 1.00 0.00 N ATOM 289 CZ ARG A 21 4.698 -1.545 11.082 1.00 0.00 C ATOM 290 NH1 ARG A 21 3.806 -0.570 11.190 1.00 0.00 N ATOM 291 NH2 ARG A 21 5.873 -1.431 11.687 1.00 0.00 N ATOM 0 H ARG A 21 1.584 -2.147 4.871 1.00 0.00 H new ATOM 0 HA ARG A 21 4.078 -2.876 6.268 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.394 -2.054 7.059 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.792 -3.607 7.768 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.055 -1.809 8.021 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.610 -1.034 8.639 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.325 -2.579 10.340 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.039 -3.891 9.424 1.00 0.00 H new ATOM 0 HE ARG A 21 5.125 -3.364 10.310 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.901 -0.653 10.727 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.025 0.263 11.736 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.562 -2.179 11.607 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.087 -0.596 12.232 1.00 0.00 H new ATOM 305 N ASN A 22 3.516 -5.399 6.557 1.00 0.00 N ATOM 306 CA ASN A 22 3.434 -6.841 6.365 1.00 0.00 C ATOM 307 C ASN A 22 3.819 -7.224 4.939 1.00 0.00 C ATOM 308 O ASN A 22 2.956 -7.511 4.107 1.00 0.00 O ATOM 309 CB ASN A 22 2.022 -7.340 6.675 1.00 0.00 C ATOM 310 CG ASN A 22 1.686 -7.245 8.151 1.00 0.00 C ATOM 311 OD1 ASN A 22 2.576 -7.178 8.998 1.00 0.00 O ATOM 312 ND2 ASN A 22 0.397 -7.239 8.465 1.00 0.00 N ATOM 0 H ASN A 22 4.123 -5.109 7.324 1.00 0.00 H new ATOM 0 HA ASN A 22 4.137 -7.313 7.051 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.300 -6.758 6.103 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.926 -8.376 6.349 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.110 -7.177 9.442 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.307 -7.296 7.729 1.00 0.00 H new ATOM 319 N LEU A 23 5.118 -7.227 4.663 1.00 0.00 N ATOM 320 CA LEU A 23 5.618 -7.576 3.336 1.00 0.00 C ATOM 321 C LEU A 23 6.233 -8.971 3.336 1.00 0.00 C ATOM 322 O LEU A 23 6.386 -9.593 4.387 1.00 0.00 O ATOM 323 CB LEU A 23 6.654 -6.549 2.874 1.00 0.00 C ATOM 324 CG LEU A 23 6.101 -5.306 2.175 1.00 0.00 C ATOM 325 CD1 LEU A 23 5.026 -4.649 3.026 1.00 0.00 C ATOM 326 CD2 LEU A 23 7.222 -4.322 1.873 1.00 0.00 C ATOM 0 H LEU A 23 5.845 -6.992 5.339 1.00 0.00 H new ATOM 0 HA LEU A 23 4.776 -7.570 2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.230 -6.227 3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.349 -7.044 2.196 1.00 0.00 H new ATOM 0 HG LEU A 23 5.650 -5.613 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.644 -3.766 2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.211 -5.354 3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.451 -4.355 3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.811 -3.444 1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.702 -4.021 2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.957 -4.796 1.223 1.00 0.00 H new ATOM 338 N ALA A 24 6.586 -9.456 2.150 1.00 0.00 N ATOM 339 CA ALA A 24 7.189 -10.776 2.013 1.00 0.00 C ATOM 340 C ALA A 24 8.711 -10.694 2.077 1.00 0.00 C ATOM 341 O ALA A 24 9.308 -9.709 1.643 1.00 0.00 O ATOM 342 CB ALA A 24 6.749 -11.425 0.709 1.00 0.00 C ATOM 0 H ALA A 24 6.465 -8.954 1.270 1.00 0.00 H new ATOM 0 HA ALA A 24 6.848 -11.391 2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.207 -12.410 0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.664 -11.527 0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.061 -10.803 -0.130 1.00 0.00 H new ATOM 348 N THR A 25 9.333 -11.735 2.622 1.00 0.00 N ATOM 349 CA THR A 25 10.783 -11.780 2.744 1.00 0.00 C ATOM 350 C THR A 25 11.426 -12.327 1.474 1.00 0.00 C ATOM 351 O THR A 25 12.587 -12.039 1.180 1.00 0.00 O ATOM 352 CB THR A 25 11.220 -12.647 3.940 1.00 0.00 C ATOM 353 OG1 THR A 25 10.333 -13.762 4.087 1.00 0.00 O ATOM 354 CG2 THR A 25 11.233 -11.831 5.224 1.00 0.00 C ATOM 0 H THR A 25 8.854 -12.558 2.986 1.00 0.00 H new ATOM 0 HA THR A 25 11.117 -10.755 2.905 1.00 0.00 H new ATOM 0 HB THR A 25 12.230 -13.009 3.748 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.619 -14.309 4.848 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.545 -12.464 6.055 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.931 -11.000 5.120 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.233 -11.443 5.419 1.00 0.00 H new ATOM 362 N THR A 26 10.664 -13.116 0.723 1.00 0.00 N ATOM 363 CA THR A 26 11.160 -13.702 -0.515 1.00 0.00 C ATOM 364 C THR A 26 11.102 -12.698 -1.661 1.00 0.00 C ATOM 365 O THR A 26 11.914 -12.749 -2.585 1.00 0.00 O ATOM 366 CB THR A 26 10.353 -14.956 -0.904 1.00 0.00 C ATOM 367 OG1 THR A 26 8.972 -14.615 -1.078 1.00 0.00 O ATOM 368 CG2 THR A 26 10.485 -16.036 0.157 1.00 0.00 C ATOM 0 H THR A 26 9.701 -13.364 0.951 1.00 0.00 H new ATOM 0 HA THR A 26 12.197 -13.986 -0.338 1.00 0.00 H new ATOM 0 HB THR A 26 10.752 -15.342 -1.842 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.466 -15.417 -1.327 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.907 -16.911 -0.140 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.533 -16.314 0.265 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.110 -15.659 1.108 1.00 0.00 H new ATOM 376 N VAL A 27 10.138 -11.786 -1.594 1.00 0.00 N ATOM 377 CA VAL A 27 9.976 -10.768 -2.626 1.00 0.00 C ATOM 378 C VAL A 27 11.166 -9.816 -2.650 1.00 0.00 C ATOM 379 O VAL A 27 11.932 -9.735 -1.689 1.00 0.00 O ATOM 380 CB VAL A 27 8.686 -9.954 -2.414 1.00 0.00 C ATOM 381 CG1 VAL A 27 7.476 -10.875 -2.358 1.00 0.00 C ATOM 382 CG2 VAL A 27 8.787 -9.116 -1.147 1.00 0.00 C ATOM 0 H VAL A 27 9.457 -11.731 -0.836 1.00 0.00 H new ATOM 0 HA VAL A 27 9.914 -11.292 -3.580 1.00 0.00 H new ATOM 0 HB VAL A 27 8.560 -9.279 -3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.574 -10.282 -2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.395 -11.427 -3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.591 -11.577 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.867 -8.547 -1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.937 -9.771 -0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.629 -8.429 -1.231 1.00 0.00 H new ATOM 392 N THR A 28 11.317 -9.093 -3.756 1.00 0.00 N ATOM 393 CA THR A 28 12.415 -8.146 -3.906 1.00 0.00 C ATOM 394 C THR A 28 11.899 -6.765 -4.293 1.00 0.00 C ATOM 395 O THR A 28 10.745 -6.613 -4.692 1.00 0.00 O ATOM 396 CB THR A 28 13.424 -8.621 -4.967 1.00 0.00 C ATOM 397 OG1 THR A 28 14.513 -7.694 -5.057 1.00 0.00 O ATOM 398 CG2 THR A 28 12.757 -8.760 -6.326 1.00 0.00 C ATOM 0 H THR A 28 10.692 -9.146 -4.561 1.00 0.00 H new ATOM 0 HA THR A 28 12.917 -8.086 -2.940 1.00 0.00 H new ATOM 0 HB THR A 28 13.802 -9.598 -4.665 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.151 -8.004 -5.733 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.491 -9.097 -7.059 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.948 -9.488 -6.262 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.354 -7.795 -6.634 1.00 0.00 H new ATOM 406 N GLU A 29 12.763 -5.761 -4.173 1.00 0.00 N ATOM 407 CA GLU A 29 12.393 -4.391 -4.511 1.00 0.00 C ATOM 408 C GLU A 29 11.856 -4.310 -5.938 1.00 0.00 C ATOM 409 O GLU A 29 11.059 -3.430 -6.261 1.00 0.00 O ATOM 410 CB GLU A 29 13.597 -3.461 -4.353 1.00 0.00 C ATOM 411 CG GLU A 29 13.941 -3.151 -2.907 1.00 0.00 C ATOM 412 CD GLU A 29 15.381 -2.705 -2.732 1.00 0.00 C ATOM 413 OE1 GLU A 29 16.041 -2.419 -3.753 1.00 0.00 O ATOM 414 OE2 GLU A 29 15.847 -2.644 -1.576 1.00 0.00 O ATOM 0 H GLU A 29 13.723 -5.870 -3.845 1.00 0.00 H new ATOM 0 HA GLU A 29 11.606 -4.074 -3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.463 -3.916 -4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.395 -2.527 -4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.275 -2.370 -2.538 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.762 -4.036 -2.297 1.00 0.00 H new ATOM 421 N GLU A 30 12.299 -5.233 -6.784 1.00 0.00 N ATOM 422 CA GLU A 30 11.864 -5.264 -8.176 1.00 0.00 C ATOM 423 C GLU A 30 10.377 -5.592 -8.274 1.00 0.00 C ATOM 424 O GLU A 30 9.603 -4.841 -8.868 1.00 0.00 O ATOM 425 CB GLU A 30 12.677 -6.292 -8.965 1.00 0.00 C ATOM 426 CG GLU A 30 13.192 -5.769 -10.296 1.00 0.00 C ATOM 427 CD GLU A 30 12.073 -5.372 -11.238 1.00 0.00 C ATOM 428 OE1 GLU A 30 11.359 -6.274 -11.726 1.00 0.00 O ATOM 429 OE2 GLU A 30 11.909 -4.159 -11.489 1.00 0.00 O ATOM 0 H GLU A 30 12.958 -5.969 -6.531 1.00 0.00 H new ATOM 0 HA GLU A 30 12.029 -4.275 -8.604 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.523 -6.616 -8.359 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.059 -7.172 -9.144 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.836 -4.908 -10.119 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.807 -6.534 -10.770 1.00 0.00 H new ATOM 436 N ILE A 31 9.986 -6.719 -7.689 1.00 0.00 N ATOM 437 CA ILE A 31 8.593 -7.146 -7.709 1.00 0.00 C ATOM 438 C ILE A 31 7.675 -6.056 -7.167 1.00 0.00 C ATOM 439 O ILE A 31 6.715 -5.653 -7.826 1.00 0.00 O ATOM 440 CB ILE A 31 8.386 -8.432 -6.886 1.00 0.00 C ATOM 441 CG1 ILE A 31 9.276 -9.555 -7.421 1.00 0.00 C ATOM 442 CG2 ILE A 31 6.923 -8.849 -6.914 1.00 0.00 C ATOM 443 CD1 ILE A 31 9.440 -10.708 -6.456 1.00 0.00 C ATOM 0 H ILE A 31 10.615 -7.353 -7.195 1.00 0.00 H new ATOM 0 HA ILE A 31 8.340 -7.346 -8.750 1.00 0.00 H new ATOM 0 HB ILE A 31 8.667 -8.233 -5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.853 -9.930 -8.353 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.259 -9.147 -7.658 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.793 -9.759 -6.328 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.310 -8.054 -6.490 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.617 -9.033 -7.944 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.083 -11.467 -6.902 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.891 -10.347 -5.532 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.464 -11.142 -6.238 1.00 0.00 H new ATOM 455 N LEU A 32 7.977 -5.580 -5.964 1.00 0.00 N ATOM 456 CA LEU A 32 7.180 -4.533 -5.334 1.00 0.00 C ATOM 457 C LEU A 32 7.008 -3.341 -6.270 1.00 0.00 C ATOM 458 O LEU A 32 5.956 -2.702 -6.289 1.00 0.00 O ATOM 459 CB LEU A 32 7.838 -4.081 -4.029 1.00 0.00 C ATOM 460 CG LEU A 32 7.672 -5.020 -2.833 1.00 0.00 C ATOM 461 CD1 LEU A 32 8.903 -4.970 -1.941 1.00 0.00 C ATOM 462 CD2 LEU A 32 6.423 -4.660 -2.042 1.00 0.00 C ATOM 0 H LEU A 32 8.767 -5.902 -5.406 1.00 0.00 H new ATOM 0 HA LEU A 32 6.194 -4.943 -5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.904 -3.943 -4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.432 -3.106 -3.759 1.00 0.00 H new ATOM 0 HG LEU A 32 7.560 -6.038 -3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.767 -5.644 -1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.779 -5.277 -2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.046 -3.953 -1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.321 -5.338 -1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.505 -3.636 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.547 -4.748 -2.685 1.00 0.00 H new ATOM 474 N GLU A 33 8.048 -3.050 -7.045 1.00 0.00 N ATOM 475 CA GLU A 33 8.010 -1.935 -7.984 1.00 0.00 C ATOM 476 C GLU A 33 7.047 -2.224 -9.133 1.00 0.00 C ATOM 477 O GLU A 33 6.245 -1.370 -9.515 1.00 0.00 O ATOM 478 CB GLU A 33 9.410 -1.657 -8.536 1.00 0.00 C ATOM 479 CG GLU A 33 10.086 -0.452 -7.901 1.00 0.00 C ATOM 480 CD GLU A 33 11.536 -0.310 -8.317 1.00 0.00 C ATOM 481 OE1 GLU A 33 12.302 -1.282 -8.144 1.00 0.00 O ATOM 482 OE2 GLU A 33 11.906 0.772 -8.817 1.00 0.00 O ATOM 0 H GLU A 33 8.926 -3.570 -7.041 1.00 0.00 H new ATOM 0 HA GLU A 33 7.656 -1.054 -7.449 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.034 -2.537 -8.381 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.343 -1.500 -9.613 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.543 0.452 -8.177 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.030 -0.539 -6.816 1.00 0.00 H new ATOM 489 N LYS A 34 7.134 -3.431 -9.680 1.00 0.00 N ATOM 490 CA LYS A 34 6.271 -3.835 -10.784 1.00 0.00 C ATOM 491 C LYS A 34 4.812 -3.886 -10.344 1.00 0.00 C ATOM 492 O LYS A 34 3.902 -3.731 -11.158 1.00 0.00 O ATOM 493 CB LYS A 34 6.701 -5.201 -11.322 1.00 0.00 C ATOM 494 CG LYS A 34 7.165 -5.167 -12.768 1.00 0.00 C ATOM 495 CD LYS A 34 8.535 -5.805 -12.930 1.00 0.00 C ATOM 496 CE LYS A 34 8.803 -6.190 -14.377 1.00 0.00 C ATOM 497 NZ LYS A 34 10.229 -5.985 -14.750 1.00 0.00 N ATOM 0 H LYS A 34 7.794 -4.147 -9.377 1.00 0.00 H new ATOM 0 HA LYS A 34 6.367 -3.093 -11.577 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.507 -5.590 -10.700 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.866 -5.896 -11.233 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.443 -5.690 -13.395 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.200 -4.134 -13.115 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.303 -5.111 -12.589 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.602 -6.691 -12.298 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.534 -7.235 -14.531 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.167 -5.597 -15.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.523 -6.726 -15.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.340 -5.052 -15.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.821 -6.033 -13.897 1.00 0.00 H new ATOM 511 N SER A 35 4.596 -4.105 -9.050 1.00 0.00 N ATOM 512 CA SER A 35 3.246 -4.179 -8.503 1.00 0.00 C ATOM 513 C SER A 35 2.526 -2.843 -8.650 1.00 0.00 C ATOM 514 O SER A 35 1.437 -2.771 -9.221 1.00 0.00 O ATOM 515 CB SER A 35 3.294 -4.586 -7.029 1.00 0.00 C ATOM 516 OG SER A 35 1.997 -4.881 -6.539 1.00 0.00 O ATOM 0 H SER A 35 5.338 -4.234 -8.362 1.00 0.00 H new ATOM 0 HA SER A 35 2.693 -4.933 -9.064 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.938 -5.457 -6.910 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.734 -3.781 -6.440 1.00 0.00 H new ATOM 0 HG SER A 35 2.070 -5.431 -5.731 1.00 0.00 H new ATOM 522 N PHE A 36 3.141 -1.785 -8.130 1.00 0.00 N ATOM 523 CA PHE A 36 2.559 -0.451 -8.202 1.00 0.00 C ATOM 524 C PHE A 36 2.771 0.161 -9.583 1.00 0.00 C ATOM 525 O PHE A 36 1.984 0.996 -10.031 1.00 0.00 O ATOM 526 CB PHE A 36 3.172 0.454 -7.131 1.00 0.00 C ATOM 527 CG PHE A 36 2.844 0.031 -5.727 1.00 0.00 C ATOM 528 CD1 PHE A 36 1.631 0.374 -5.153 1.00 0.00 C ATOM 529 CD2 PHE A 36 3.748 -0.710 -4.984 1.00 0.00 C ATOM 530 CE1 PHE A 36 1.326 -0.014 -3.862 1.00 0.00 C ATOM 531 CE2 PHE A 36 3.448 -1.101 -3.693 1.00 0.00 C ATOM 532 CZ PHE A 36 2.235 -0.752 -3.131 1.00 0.00 C ATOM 0 H PHE A 36 4.042 -1.827 -7.654 1.00 0.00 H new ATOM 0 HA PHE A 36 1.487 -0.539 -8.024 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.255 0.467 -7.254 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.822 1.475 -7.285 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.916 0.951 -5.720 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.698 -0.985 -5.418 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.377 0.260 -3.425 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.161 -1.679 -3.124 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.999 -1.056 -2.122 1.00 0.00 H new ATOM 542 N SER A 37 3.840 -0.259 -10.253 1.00 0.00 N ATOM 543 CA SER A 37 4.158 0.250 -11.581 1.00 0.00 C ATOM 544 C SER A 37 2.984 0.051 -12.536 1.00 0.00 C ATOM 545 O SER A 37 2.827 0.791 -13.505 1.00 0.00 O ATOM 546 CB SER A 37 5.403 -0.447 -12.133 1.00 0.00 C ATOM 547 OG SER A 37 5.642 -0.075 -13.479 1.00 0.00 O ATOM 0 H SER A 37 4.500 -0.950 -9.897 1.00 0.00 H new ATOM 0 HA SER A 37 4.356 1.318 -11.495 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.268 -0.190 -11.522 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.277 -1.528 -12.068 1.00 0.00 H new ATOM 0 HG SER A 37 6.444 -0.533 -13.807 1.00 0.00 H new ATOM 553 N GLU A 38 2.163 -0.955 -12.251 1.00 0.00 N ATOM 554 CA GLU A 38 1.004 -1.254 -13.085 1.00 0.00 C ATOM 555 C GLU A 38 -0.053 -0.161 -12.957 1.00 0.00 C ATOM 556 O GLU A 38 -0.851 0.057 -13.869 1.00 0.00 O ATOM 557 CB GLU A 38 0.404 -2.607 -12.698 1.00 0.00 C ATOM 558 CG GLU A 38 1.410 -3.747 -12.718 1.00 0.00 C ATOM 559 CD GLU A 38 0.896 -4.963 -13.464 1.00 0.00 C ATOM 560 OE1 GLU A 38 -0.085 -5.576 -12.994 1.00 0.00 O ATOM 561 OE2 GLU A 38 1.476 -5.302 -14.516 1.00 0.00 O ATOM 0 H GLU A 38 2.278 -1.576 -11.450 1.00 0.00 H new ATOM 0 HA GLU A 38 1.336 -1.296 -14.122 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.027 -2.532 -11.700 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.412 -2.842 -13.381 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.334 -3.403 -13.183 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.654 -4.030 -11.694 1.00 0.00 H new ATOM 568 N PHE A 39 -0.053 0.524 -11.818 1.00 0.00 N ATOM 569 CA PHE A 39 -1.013 1.593 -11.569 1.00 0.00 C ATOM 570 C PHE A 39 -0.516 2.916 -12.147 1.00 0.00 C ATOM 571 O PHE A 39 -1.235 3.593 -12.879 1.00 0.00 O ATOM 572 CB PHE A 39 -1.263 1.742 -10.066 1.00 0.00 C ATOM 573 CG PHE A 39 -1.907 0.537 -9.444 1.00 0.00 C ATOM 574 CD1 PHE A 39 -1.148 -0.568 -9.095 1.00 0.00 C ATOM 575 CD2 PHE A 39 -3.272 0.508 -9.207 1.00 0.00 C ATOM 576 CE1 PHE A 39 -1.738 -1.679 -8.523 1.00 0.00 C ATOM 577 CE2 PHE A 39 -3.868 -0.600 -8.635 1.00 0.00 C ATOM 578 CZ PHE A 39 -3.099 -1.694 -8.291 1.00 0.00 C ATOM 0 H PHE A 39 0.601 0.358 -11.053 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.949 1.330 -12.062 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.314 1.936 -9.565 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.897 2.612 -9.896 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.083 -0.561 -9.272 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.878 1.362 -9.473 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.135 -2.535 -8.258 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.933 -0.610 -8.457 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.561 -2.560 -7.841 1.00 0.00 H new ATOM 588 N GLY A 40 0.719 3.275 -11.810 1.00 0.00 N ATOM 589 CA GLY A 40 1.291 4.514 -12.303 1.00 0.00 C ATOM 590 C GLY A 40 2.802 4.542 -12.185 1.00 0.00 C ATOM 591 O GLY A 40 3.393 3.723 -11.481 1.00 0.00 O ATOM 0 H GLY A 40 1.333 2.730 -11.205 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.009 4.651 -13.347 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.871 5.352 -11.746 1.00 0.00 H new ATOM 595 N LYS A 41 3.430 5.486 -12.877 1.00 0.00 N ATOM 596 CA LYS A 41 4.882 5.619 -12.848 1.00 0.00 C ATOM 597 C LYS A 41 5.376 5.880 -11.429 1.00 0.00 C ATOM 598 O LYS A 41 5.150 6.953 -10.870 1.00 0.00 O ATOM 599 CB LYS A 41 5.329 6.754 -13.773 1.00 0.00 C ATOM 600 CG LYS A 41 5.651 6.297 -15.186 1.00 0.00 C ATOM 601 CD LYS A 41 6.991 5.582 -15.248 1.00 0.00 C ATOM 602 CE LYS A 41 7.959 6.290 -16.183 1.00 0.00 C ATOM 603 NZ LYS A 41 9.105 5.419 -16.559 1.00 0.00 N ATOM 0 H LYS A 41 2.956 6.171 -13.465 1.00 0.00 H new ATOM 0 HA LYS A 41 5.315 4.682 -13.198 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.543 7.508 -13.814 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.210 7.234 -13.346 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.865 5.631 -15.542 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.666 7.158 -15.854 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.423 5.529 -14.248 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.842 4.556 -15.586 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.430 6.603 -17.083 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.333 7.194 -15.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.741 5.939 -17.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.625 5.140 -15.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.751 4.568 -17.041 1.00 0.00 H new ATOM 617 N LEU A 42 6.054 4.893 -10.853 1.00 0.00 N ATOM 618 CA LEU A 42 6.582 5.017 -9.500 1.00 0.00 C ATOM 619 C LEU A 42 7.688 6.065 -9.440 1.00 0.00 C ATOM 620 O LEU A 42 8.112 6.593 -10.468 1.00 0.00 O ATOM 621 CB LEU A 42 7.117 3.668 -9.014 1.00 0.00 C ATOM 622 CG LEU A 42 6.079 2.558 -8.843 1.00 0.00 C ATOM 623 CD1 LEU A 42 6.748 1.266 -8.399 1.00 0.00 C ATOM 624 CD2 LEU A 42 5.011 2.977 -7.843 1.00 0.00 C ATOM 0 H LEU A 42 6.251 3.999 -11.302 1.00 0.00 H new ATOM 0 HA LEU A 42 5.769 5.336 -8.848 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.874 3.325 -9.719 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.617 3.821 -8.058 1.00 0.00 H new ATOM 0 HG LEU A 42 5.599 2.383 -9.806 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.994 0.487 -8.282 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.476 0.957 -9.149 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.254 1.427 -7.447 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.281 2.175 -7.734 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.475 3.179 -6.878 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.511 3.877 -8.200 1.00 0.00 H new ATOM 636 N GLU A 43 8.153 6.360 -8.230 1.00 0.00 N ATOM 637 CA GLU A 43 9.211 7.345 -8.038 1.00 0.00 C ATOM 638 C GLU A 43 10.460 6.694 -7.451 1.00 0.00 C ATOM 639 O GLU A 43 11.573 6.923 -7.924 1.00 0.00 O ATOM 640 CB GLU A 43 8.730 8.471 -7.120 1.00 0.00 C ATOM 641 CG GLU A 43 8.912 9.858 -7.712 1.00 0.00 C ATOM 642 CD GLU A 43 10.171 10.543 -7.218 1.00 0.00 C ATOM 643 OE1 GLU A 43 11.271 9.998 -7.449 1.00 0.00 O ATOM 644 OE2 GLU A 43 10.058 11.622 -6.600 1.00 0.00 O ATOM 0 H GLU A 43 7.814 5.931 -7.369 1.00 0.00 H new ATOM 0 HA GLU A 43 9.464 7.763 -9.012 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.675 8.318 -6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.271 8.414 -6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.946 9.783 -8.799 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.047 10.472 -7.462 1.00 0.00 H new ATOM 651 N ARG A 44 10.267 5.883 -6.416 1.00 0.00 N ATOM 652 CA ARG A 44 11.376 5.200 -5.762 1.00 0.00 C ATOM 653 C ARG A 44 10.876 4.320 -4.620 1.00 0.00 C ATOM 654 O ARG A 44 10.021 4.730 -3.834 1.00 0.00 O ATOM 655 CB ARG A 44 12.387 6.217 -5.232 1.00 0.00 C ATOM 656 CG ARG A 44 13.835 5.821 -5.472 1.00 0.00 C ATOM 657 CD ARG A 44 14.489 6.708 -6.519 1.00 0.00 C ATOM 658 NE ARG A 44 14.451 6.107 -7.849 1.00 0.00 N ATOM 659 CZ ARG A 44 15.223 6.501 -8.856 1.00 0.00 C ATOM 660 NH1 ARG A 44 16.088 7.491 -8.685 1.00 0.00 N ATOM 661 NH2 ARG A 44 15.129 5.904 -10.038 1.00 0.00 N ATOM 0 H ARG A 44 9.352 5.683 -6.012 1.00 0.00 H new ATOM 0 HA ARG A 44 11.864 4.564 -6.500 1.00 0.00 H new ATOM 0 HB2 ARG A 44 12.200 7.182 -5.704 1.00 0.00 H new ATOM 0 HB3 ARG A 44 12.228 6.350 -4.162 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.392 5.889 -4.537 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.880 4.781 -5.795 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.983 7.673 -6.543 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.525 6.898 -6.237 1.00 0.00 H new ATOM 0 HE ARG A 44 13.796 5.343 -8.014 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.162 7.952 -7.778 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.679 7.791 -9.460 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.464 5.143 -10.173 1.00 0.00 H new ATOM 0 HH22 ARG A 44 15.722 6.207 -10.811 1.00 0.00 H new ATOM 675 N VAL A 45 11.415 3.107 -4.534 1.00 0.00 N ATOM 676 CA VAL A 45 11.024 2.170 -3.488 1.00 0.00 C ATOM 677 C VAL A 45 12.222 1.771 -2.633 1.00 0.00 C ATOM 678 O VAL A 45 13.355 1.729 -3.112 1.00 0.00 O ATOM 679 CB VAL A 45 10.386 0.901 -4.083 1.00 0.00 C ATOM 680 CG1 VAL A 45 9.829 0.016 -2.977 1.00 0.00 C ATOM 681 CG2 VAL A 45 9.300 1.268 -5.081 1.00 0.00 C ATOM 0 H VAL A 45 12.123 2.751 -5.176 1.00 0.00 H new ATOM 0 HA VAL A 45 10.289 2.679 -2.864 1.00 0.00 H new ATOM 0 HB VAL A 45 11.157 0.341 -4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.382 -0.876 -3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.635 -0.275 -2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.071 0.565 -2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.860 0.359 -5.491 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.527 1.851 -4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.733 1.858 -5.889 1.00 0.00 H new ATOM 691 N LYS A 46 11.964 1.477 -1.363 1.00 0.00 N ATOM 692 CA LYS A 46 13.019 1.079 -0.439 1.00 0.00 C ATOM 693 C LYS A 46 12.507 0.045 0.557 1.00 0.00 C ATOM 694 O LYS A 46 11.407 0.175 1.095 1.00 0.00 O ATOM 695 CB LYS A 46 13.557 2.301 0.309 1.00 0.00 C ATOM 696 CG LYS A 46 15.036 2.207 0.641 1.00 0.00 C ATOM 697 CD LYS A 46 15.890 2.174 -0.616 1.00 0.00 C ATOM 698 CE LYS A 46 17.369 2.299 -0.288 1.00 0.00 C ATOM 699 NZ LYS A 46 18.225 2.012 -1.472 1.00 0.00 N ATOM 0 H LYS A 46 11.032 1.507 -0.950 1.00 0.00 H new ATOM 0 HA LYS A 46 13.826 0.631 -1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.385 3.192 -0.295 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.993 2.429 1.233 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.326 3.058 1.257 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.221 1.309 1.231 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.713 1.242 -1.153 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.594 2.986 -1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.577 3.306 0.075 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.622 1.611 0.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.226 2.108 -1.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 18.045 1.043 -1.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.002 2.685 -2.233 1.00 0.00 H new ATOM 713 N LYS A 47 13.313 -0.984 0.802 1.00 0.00 N ATOM 714 CA LYS A 47 12.944 -2.040 1.738 1.00 0.00 C ATOM 715 C LYS A 47 13.403 -1.699 3.152 1.00 0.00 C ATOM 716 O LYS A 47 14.576 -1.864 3.490 1.00 0.00 O ATOM 717 CB LYS A 47 13.553 -3.373 1.298 1.00 0.00 C ATOM 718 CG LYS A 47 12.678 -4.574 1.613 1.00 0.00 C ATOM 719 CD LYS A 47 12.654 -5.563 0.460 1.00 0.00 C ATOM 720 CE LYS A 47 11.986 -6.870 0.860 1.00 0.00 C ATOM 721 NZ LYS A 47 12.916 -8.027 0.741 1.00 0.00 N ATOM 0 H LYS A 47 14.226 -1.109 0.365 1.00 0.00 H new ATOM 0 HA LYS A 47 11.857 -2.127 1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.739 -3.341 0.225 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.520 -3.500 1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.048 -5.069 2.511 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.663 -4.240 1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.123 -5.125 -0.385 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.673 -5.761 0.128 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.628 -6.796 1.887 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.113 -7.039 0.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.726 -8.535 -0.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.898 -7.684 0.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.775 -8.670 1.546 1.00 0.00 H new ATOM 735 N LEU A 48 12.472 -1.226 3.973 1.00 0.00 N ATOM 736 CA LEU A 48 12.782 -0.865 5.352 1.00 0.00 C ATOM 737 C LEU A 48 11.866 -1.599 6.326 1.00 0.00 C ATOM 738 O LEU A 48 10.669 -1.324 6.397 1.00 0.00 O ATOM 739 CB LEU A 48 12.644 0.647 5.546 1.00 0.00 C ATOM 740 CG LEU A 48 13.823 1.495 5.067 1.00 0.00 C ATOM 741 CD1 LEU A 48 15.100 1.092 5.788 1.00 0.00 C ATOM 742 CD2 LEU A 48 13.996 1.363 3.560 1.00 0.00 C ATOM 0 H LEU A 48 11.497 -1.084 3.708 1.00 0.00 H new ATOM 0 HA LEU A 48 13.811 -1.160 5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.747 0.980 5.024 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.487 0.844 6.606 1.00 0.00 H new ATOM 0 HG LEU A 48 13.613 2.539 5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.927 1.707 5.434 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.974 1.237 6.861 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.316 0.043 5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.839 1.973 3.236 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.183 0.320 3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.089 1.702 3.059 1.00 0.00 H new ATOM 754 N LYS A 49 12.439 -2.534 7.077 1.00 0.00 N ATOM 755 CA LYS A 49 11.676 -3.307 8.050 1.00 0.00 C ATOM 756 C LYS A 49 10.603 -4.143 7.361 1.00 0.00 C ATOM 757 O LYS A 49 10.652 -4.356 6.149 1.00 0.00 O ATOM 758 CB LYS A 49 11.030 -2.375 9.078 1.00 0.00 C ATOM 759 CG LYS A 49 11.146 -2.873 10.508 1.00 0.00 C ATOM 760 CD LYS A 49 11.803 -1.839 11.408 1.00 0.00 C ATOM 761 CE LYS A 49 12.675 -2.496 12.467 1.00 0.00 C ATOM 762 NZ LYS A 49 13.307 -1.490 13.365 1.00 0.00 N ATOM 0 H LYS A 49 13.429 -2.775 7.030 1.00 0.00 H new ATOM 0 HA LYS A 49 12.364 -3.981 8.561 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.494 -1.391 9.006 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.976 -2.249 8.830 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.155 -3.113 10.892 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.727 -3.795 10.527 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.409 -1.162 10.805 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.035 -1.235 11.891 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.071 -3.184 13.059 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.451 -3.089 11.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.893 -1.976 14.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.903 -0.849 12.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.567 -0.941 13.847 1.00 0.00 H new ATOM 776 N ASP A 50 9.635 -4.612 8.140 1.00 0.00 N ATOM 777 CA ASP A 50 8.548 -5.423 7.603 1.00 0.00 C ATOM 778 C ASP A 50 7.742 -4.638 6.573 1.00 0.00 C ATOM 779 O ASP A 50 6.978 -5.214 5.797 1.00 0.00 O ATOM 780 CB ASP A 50 7.631 -5.898 8.732 1.00 0.00 C ATOM 781 CG ASP A 50 7.769 -7.383 9.005 1.00 0.00 C ATOM 782 OD1 ASP A 50 8.900 -7.903 8.897 1.00 0.00 O ATOM 783 OD2 ASP A 50 6.747 -8.026 9.324 1.00 0.00 O ATOM 0 H ASP A 50 9.580 -4.445 9.145 1.00 0.00 H new ATOM 0 HA ASP A 50 8.985 -6.292 7.111 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.861 -5.342 9.641 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.596 -5.674 8.474 1.00 0.00 H new ATOM 788 N TYR A 51 7.917 -3.322 6.571 1.00 0.00 N ATOM 789 CA TYR A 51 7.203 -2.458 5.639 1.00 0.00 C ATOM 790 C TYR A 51 8.135 -1.950 4.543 1.00 0.00 C ATOM 791 O TYR A 51 9.298 -2.348 4.469 1.00 0.00 O ATOM 792 CB TYR A 51 6.580 -1.274 6.382 1.00 0.00 C ATOM 793 CG TYR A 51 7.553 -0.542 7.278 1.00 0.00 C ATOM 794 CD1 TYR A 51 8.405 0.428 6.765 1.00 0.00 C ATOM 795 CD2 TYR A 51 7.619 -0.821 8.638 1.00 0.00 C ATOM 796 CE1 TYR A 51 9.296 1.098 7.581 1.00 0.00 C ATOM 797 CE2 TYR A 51 8.506 -0.154 9.461 1.00 0.00 C ATOM 798 CZ TYR A 51 9.343 0.804 8.928 1.00 0.00 C ATOM 799 OH TYR A 51 10.228 1.471 9.744 1.00 0.00 O ATOM 0 H TYR A 51 8.547 -2.830 7.204 1.00 0.00 H new ATOM 0 HA TYR A 51 6.411 -3.045 5.175 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.172 -0.573 5.654 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.744 -1.632 6.983 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.370 0.662 5.711 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.966 -1.572 9.058 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.953 1.848 7.166 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.544 -0.382 10.516 1.00 0.00 H new ATOM 0 HH TYR A 51 10.133 1.147 10.664 1.00 0.00 H new ATOM 809 N ALA A 52 7.616 -1.068 3.695 1.00 0.00 N ATOM 810 CA ALA A 52 8.402 -0.504 2.605 1.00 0.00 C ATOM 811 C ALA A 52 8.024 0.951 2.352 1.00 0.00 C ATOM 812 O ALA A 52 6.939 1.396 2.728 1.00 0.00 O ATOM 813 CB ALA A 52 8.216 -1.327 1.338 1.00 0.00 C ATOM 0 H ALA A 52 6.655 -0.729 3.742 1.00 0.00 H new ATOM 0 HA ALA A 52 9.452 -0.535 2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.809 -0.894 0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.542 -2.351 1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.163 -1.326 1.055 1.00 0.00 H new ATOM 819 N PHE A 53 8.926 1.690 1.713 1.00 0.00 N ATOM 820 CA PHE A 53 8.686 3.097 1.412 1.00 0.00 C ATOM 821 C PHE A 53 8.711 3.342 -0.094 1.00 0.00 C ATOM 822 O PHE A 53 9.770 3.319 -0.721 1.00 0.00 O ATOM 823 CB PHE A 53 9.736 3.974 2.100 1.00 0.00 C ATOM 824 CG PHE A 53 9.506 4.138 3.575 1.00 0.00 C ATOM 825 CD1 PHE A 53 8.265 4.524 4.057 1.00 0.00 C ATOM 826 CD2 PHE A 53 10.529 3.906 4.480 1.00 0.00 C ATOM 827 CE1 PHE A 53 8.051 4.677 5.414 1.00 0.00 C ATOM 828 CE2 PHE A 53 10.320 4.057 5.838 1.00 0.00 C ATOM 829 CZ PHE A 53 9.078 4.442 6.306 1.00 0.00 C ATOM 0 H PHE A 53 9.829 1.338 1.394 1.00 0.00 H new ATOM 0 HA PHE A 53 7.698 3.361 1.790 1.00 0.00 H new ATOM 0 HB2 PHE A 53 10.723 3.539 1.940 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.741 4.957 1.630 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.457 4.707 3.365 1.00 0.00 H new ATOM 0 HD2 PHE A 53 11.501 3.604 4.120 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.080 4.980 5.777 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.127 3.874 6.533 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.911 4.559 7.367 1.00 0.00 H new ATOM 839 N VAL A 54 7.535 3.578 -0.668 1.00 0.00 N ATOM 840 CA VAL A 54 7.421 3.828 -2.100 1.00 0.00 C ATOM 841 C VAL A 54 6.886 5.231 -2.372 1.00 0.00 C ATOM 842 O VAL A 54 5.988 5.709 -1.679 1.00 0.00 O ATOM 843 CB VAL A 54 6.498 2.799 -2.778 1.00 0.00 C ATOM 844 CG1 VAL A 54 6.430 3.046 -4.277 1.00 0.00 C ATOM 845 CG2 VAL A 54 6.971 1.384 -2.483 1.00 0.00 C ATOM 0 H VAL A 54 6.649 3.601 -0.164 1.00 0.00 H new ATOM 0 HA VAL A 54 8.424 3.736 -2.518 1.00 0.00 H new ATOM 0 HB VAL A 54 5.494 2.915 -2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.773 2.308 -4.738 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.040 4.047 -4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.429 2.960 -4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.307 0.670 -2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.985 1.253 -2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.960 1.214 -1.406 1.00 0.00 H new ATOM 855 N HIS A 55 7.446 5.885 -3.384 1.00 0.00 N ATOM 856 CA HIS A 55 7.025 7.233 -3.749 1.00 0.00 C ATOM 857 C HIS A 55 6.334 7.237 -5.109 1.00 0.00 C ATOM 858 O HIS A 55 6.606 6.388 -5.958 1.00 0.00 O ATOM 859 CB HIS A 55 8.227 8.176 -3.771 1.00 0.00 C ATOM 860 CG HIS A 55 8.744 8.522 -2.409 1.00 0.00 C ATOM 861 ND1 HIS A 55 8.539 9.749 -1.814 1.00 0.00 N ATOM 862 CD2 HIS A 55 9.461 7.792 -1.523 1.00 0.00 C ATOM 863 CE1 HIS A 55 9.108 9.759 -0.622 1.00 0.00 C ATOM 864 NE2 HIS A 55 9.674 8.583 -0.421 1.00 0.00 N ATOM 0 H HIS A 55 8.192 5.504 -3.966 1.00 0.00 H new ATOM 0 HA HIS A 55 6.314 7.581 -3.000 1.00 0.00 H new ATOM 0 HB2 HIS A 55 9.029 7.715 -4.348 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.948 9.094 -4.288 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.802 6.776 -1.658 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.110 10.588 0.070 1.00 0.00 H new ATOM 0 HE2 HIS A 55 10.186 8.307 0.417 1.00 0.00 H new ATOM 872 N PHE A 56 5.439 8.198 -5.309 1.00 0.00 N ATOM 873 CA PHE A 56 4.707 8.312 -6.565 1.00 0.00 C ATOM 874 C PHE A 56 4.898 9.694 -7.183 1.00 0.00 C ATOM 875 O PHE A 56 5.159 10.669 -6.478 1.00 0.00 O ATOM 876 CB PHE A 56 3.217 8.045 -6.339 1.00 0.00 C ATOM 877 CG PHE A 56 2.877 6.583 -6.257 1.00 0.00 C ATOM 878 CD1 PHE A 56 2.908 5.919 -5.041 1.00 0.00 C ATOM 879 CD2 PHE A 56 2.525 5.875 -7.394 1.00 0.00 C ATOM 880 CE1 PHE A 56 2.595 4.576 -4.961 1.00 0.00 C ATOM 881 CE2 PHE A 56 2.212 4.531 -7.321 1.00 0.00 C ATOM 882 CZ PHE A 56 2.246 3.881 -6.103 1.00 0.00 C ATOM 0 H PHE A 56 5.203 8.909 -4.617 1.00 0.00 H new ATOM 0 HA PHE A 56 5.102 7.566 -7.255 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.904 8.535 -5.417 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.647 8.498 -7.151 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.180 6.458 -4.145 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.495 6.379 -8.349 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.623 4.070 -4.007 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.941 3.990 -8.215 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.000 2.831 -6.043 1.00 0.00 H new ATOM 892 N GLU A 57 4.768 9.769 -8.504 1.00 0.00 N ATOM 893 CA GLU A 57 4.928 11.030 -9.217 1.00 0.00 C ATOM 894 C GLU A 57 3.990 12.095 -8.655 1.00 0.00 C ATOM 895 O GLU A 57 4.265 13.292 -8.747 1.00 0.00 O ATOM 896 CB GLU A 57 4.661 10.836 -10.711 1.00 0.00 C ATOM 897 CG GLU A 57 3.397 10.046 -11.005 1.00 0.00 C ATOM 898 CD GLU A 57 2.448 10.786 -11.929 1.00 0.00 C ATOM 899 OE1 GLU A 57 2.902 11.247 -12.997 1.00 0.00 O ATOM 900 OE2 GLU A 57 1.254 10.904 -11.584 1.00 0.00 O ATOM 0 H GLU A 57 4.552 8.971 -9.102 1.00 0.00 H new ATOM 0 HA GLU A 57 5.956 11.367 -9.081 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.588 11.813 -11.188 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.512 10.324 -11.160 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.667 9.091 -11.456 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.886 9.823 -10.068 1.00 0.00 H new ATOM 907 N ASP A 58 2.880 11.651 -8.076 1.00 0.00 N ATOM 908 CA ASP A 58 1.900 12.565 -7.500 1.00 0.00 C ATOM 909 C ASP A 58 1.083 11.872 -6.415 1.00 0.00 C ATOM 910 O ASP A 58 1.397 10.752 -6.008 1.00 0.00 O ATOM 911 CB ASP A 58 0.971 13.104 -8.589 1.00 0.00 C ATOM 912 CG ASP A 58 0.697 14.587 -8.434 1.00 0.00 C ATOM 913 OD1 ASP A 58 -0.253 14.941 -7.706 1.00 0.00 O ATOM 914 OD2 ASP A 58 1.432 15.393 -9.042 1.00 0.00 O ATOM 0 H ASP A 58 2.636 10.664 -7.993 1.00 0.00 H new ATOM 0 HA ASP A 58 2.439 13.398 -7.048 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.417 12.920 -9.567 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.028 12.558 -8.561 1.00 0.00 H new ATOM 919 N ARG A 59 0.035 12.543 -5.949 1.00 0.00 N ATOM 920 CA ARG A 59 -0.826 11.992 -4.909 1.00 0.00 C ATOM 921 C ARG A 59 -1.839 11.017 -5.503 1.00 0.00 C ATOM 922 O ARG A 59 -2.057 9.931 -4.967 1.00 0.00 O ATOM 923 CB ARG A 59 -1.555 13.117 -4.172 1.00 0.00 C ATOM 924 CG ARG A 59 -2.582 12.621 -3.168 1.00 0.00 C ATOM 925 CD ARG A 59 -3.990 13.046 -3.555 1.00 0.00 C ATOM 926 NE ARG A 59 -4.983 12.601 -2.581 1.00 0.00 N ATOM 927 CZ ARG A 59 -6.286 12.538 -2.835 1.00 0.00 C ATOM 928 NH1 ARG A 59 -6.749 12.889 -4.026 1.00 0.00 N ATOM 929 NH2 ARG A 59 -7.126 12.123 -1.897 1.00 0.00 N ATOM 0 H ARG A 59 -0.239 13.470 -6.275 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.199 11.451 -4.201 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.822 13.735 -3.654 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.052 13.756 -4.902 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.534 11.534 -3.103 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.342 13.010 -2.178 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.030 14.132 -3.643 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.235 12.638 -4.535 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.659 12.323 -1.655 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.105 13.208 -4.750 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.749 12.840 -4.219 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.772 11.852 -0.980 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.126 12.075 -2.093 1.00 0.00 H new ATOM 943 N GLY A 60 -2.455 11.414 -6.612 1.00 0.00 N ATOM 944 CA GLY A 60 -3.438 10.563 -7.258 1.00 0.00 C ATOM 945 C GLY A 60 -2.903 9.174 -7.547 1.00 0.00 C ATOM 946 O GLY A 60 -3.555 8.176 -7.241 1.00 0.00 O ATOM 0 H GLY A 60 -2.292 12.308 -7.074 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.320 10.484 -6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.758 11.027 -8.191 1.00 0.00 H new ATOM 950 N ALA A 61 -1.715 9.111 -8.139 1.00 0.00 N ATOM 951 CA ALA A 61 -1.094 7.834 -8.469 1.00 0.00 C ATOM 952 C ALA A 61 -0.929 6.967 -7.225 1.00 0.00 C ATOM 953 O ALA A 61 -0.871 5.741 -7.316 1.00 0.00 O ATOM 954 CB ALA A 61 0.253 8.061 -9.140 1.00 0.00 C ATOM 0 H ALA A 61 -1.164 9.929 -8.400 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.749 7.307 -9.163 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.706 7.099 -9.381 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.111 8.635 -10.056 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.908 8.611 -8.464 1.00 0.00 H new ATOM 960 N ALA A 62 -0.851 7.611 -6.066 1.00 0.00 N ATOM 961 CA ALA A 62 -0.694 6.898 -4.804 1.00 0.00 C ATOM 962 C ALA A 62 -2.047 6.476 -4.239 1.00 0.00 C ATOM 963 O ALA A 62 -2.204 5.357 -3.750 1.00 0.00 O ATOM 964 CB ALA A 62 0.053 7.763 -3.800 1.00 0.00 C ATOM 0 H ALA A 62 -0.894 8.626 -5.974 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.113 5.996 -4.994 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.163 7.219 -2.862 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.039 8.010 -4.195 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.507 8.681 -3.623 1.00 0.00 H new ATOM 970 N VAL A 63 -3.020 7.379 -4.311 1.00 0.00 N ATOM 971 CA VAL A 63 -4.360 7.100 -3.807 1.00 0.00 C ATOM 972 C VAL A 63 -5.050 6.029 -4.645 1.00 0.00 C ATOM 973 O VAL A 63 -5.496 5.006 -4.122 1.00 0.00 O ATOM 974 CB VAL A 63 -5.232 8.369 -3.797 1.00 0.00 C ATOM 975 CG1 VAL A 63 -6.632 8.052 -3.296 1.00 0.00 C ATOM 976 CG2 VAL A 63 -4.584 9.452 -2.948 1.00 0.00 C ATOM 0 H VAL A 63 -2.906 8.309 -4.713 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.245 6.740 -2.785 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.315 8.741 -4.818 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.233 8.961 -3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.093 7.312 -3.950 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.575 7.655 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.213 10.342 -2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.469 9.093 -1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.605 9.698 -3.358 1.00 0.00 H new ATOM 986 N LYS A 64 -5.134 6.269 -5.949 1.00 0.00 N ATOM 987 CA LYS A 64 -5.768 5.325 -6.862 1.00 0.00 C ATOM 988 C LYS A 64 -5.169 3.931 -6.706 1.00 0.00 C ATOM 989 O LYS A 64 -5.864 2.927 -6.853 1.00 0.00 O ATOM 990 CB LYS A 64 -5.613 5.800 -8.308 1.00 0.00 C ATOM 991 CG LYS A 64 -6.237 4.860 -9.327 1.00 0.00 C ATOM 992 CD LYS A 64 -5.298 4.602 -10.493 1.00 0.00 C ATOM 993 CE LYS A 64 -5.952 3.725 -11.550 1.00 0.00 C ATOM 994 NZ LYS A 64 -5.411 3.999 -12.910 1.00 0.00 N ATOM 0 H LYS A 64 -4.771 7.110 -6.398 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.828 5.275 -6.614 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.068 6.785 -8.409 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.552 5.914 -8.533 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.489 3.915 -8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.169 5.288 -9.696 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.000 5.551 -10.939 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.389 4.121 -10.131 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.793 2.676 -11.301 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.029 3.894 -11.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.882 3.382 -13.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.585 4.994 -13.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.388 3.813 -12.920 1.00 0.00 H new ATOM 1008 N ALA A 65 -3.875 3.878 -6.406 1.00 0.00 N ATOM 1009 CA ALA A 65 -3.184 2.608 -6.227 1.00 0.00 C ATOM 1010 C ALA A 65 -3.614 1.927 -4.932 1.00 0.00 C ATOM 1011 O ALA A 65 -4.108 0.800 -4.946 1.00 0.00 O ATOM 1012 CB ALA A 65 -1.678 2.820 -6.239 1.00 0.00 C ATOM 0 H ALA A 65 -3.285 4.700 -6.282 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.454 1.956 -7.057 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.175 1.863 -6.104 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.380 3.256 -7.192 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.399 3.494 -5.429 1.00 0.00 H new ATOM 1018 N MET A 66 -3.422 2.618 -3.813 1.00 0.00 N ATOM 1019 CA MET A 66 -3.790 2.079 -2.509 1.00 0.00 C ATOM 1020 C MET A 66 -5.261 1.674 -2.484 1.00 0.00 C ATOM 1021 O MET A 66 -5.659 0.799 -1.715 1.00 0.00 O ATOM 1022 CB MET A 66 -3.514 3.108 -1.411 1.00 0.00 C ATOM 1023 CG MET A 66 -4.068 2.711 -0.053 1.00 0.00 C ATOM 1024 SD MET A 66 -3.635 3.886 1.244 1.00 0.00 S ATOM 1025 CE MET A 66 -4.606 5.308 0.750 1.00 0.00 C ATOM 0 H MET A 66 -3.014 3.552 -3.783 1.00 0.00 H new ATOM 0 HA MET A 66 -3.183 1.192 -2.326 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.438 3.256 -1.326 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.945 4.065 -1.705 1.00 0.00 H new ATOM 0 HG2 MET A 66 -5.153 2.630 -0.117 1.00 0.00 H new ATOM 0 HG3 MET A 66 -3.690 1.724 0.215 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.941 6.142 0.526 1.00 0.00 H new ATOM 0 HE2 MET A 66 -5.189 5.060 -0.137 1.00 0.00 H new ATOM 0 HE3 MET A 66 -5.279 5.588 1.560 1.00 0.00 H new ATOM 1035 N ASP A 67 -6.060 2.314 -3.329 1.00 0.00 N ATOM 1036 CA ASP A 67 -7.487 2.019 -3.405 1.00 0.00 C ATOM 1037 C ASP A 67 -7.720 0.547 -3.729 1.00 0.00 C ATOM 1038 O ASP A 67 -8.571 -0.104 -3.122 1.00 0.00 O ATOM 1039 CB ASP A 67 -8.156 2.900 -4.461 1.00 0.00 C ATOM 1040 CG ASP A 67 -9.219 3.805 -3.871 1.00 0.00 C ATOM 1041 OD1 ASP A 67 -8.852 4.794 -3.203 1.00 0.00 O ATOM 1042 OD2 ASP A 67 -10.419 3.524 -4.077 1.00 0.00 O ATOM 0 H ASP A 67 -5.745 3.041 -3.972 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.930 2.233 -2.432 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.399 3.508 -4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.606 2.267 -5.226 1.00 0.00 H new ATOM 1047 N GLU A 68 -6.962 0.031 -4.690 1.00 0.00 N ATOM 1048 CA GLU A 68 -7.089 -1.365 -5.096 1.00 0.00 C ATOM 1049 C GLU A 68 -6.121 -2.249 -4.315 1.00 0.00 C ATOM 1050 O GLU A 68 -6.493 -3.320 -3.835 1.00 0.00 O ATOM 1051 CB GLU A 68 -6.830 -1.508 -6.597 1.00 0.00 C ATOM 1052 CG GLU A 68 -7.534 -0.458 -7.440 1.00 0.00 C ATOM 1053 CD GLU A 68 -8.093 -1.025 -8.731 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -7.317 -1.176 -9.697 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -9.306 -1.317 -8.774 1.00 0.00 O ATOM 0 H GLU A 68 -6.254 0.557 -5.202 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.107 -1.689 -4.878 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.757 -1.448 -6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.153 -2.498 -6.920 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.345 -0.016 -6.861 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.834 0.345 -7.673 1.00 0.00 H new ATOM 1062 N MET A 69 -4.880 -1.792 -4.192 1.00 0.00 N ATOM 1063 CA MET A 69 -3.859 -2.542 -3.469 1.00 0.00 C ATOM 1064 C MET A 69 -4.349 -2.925 -2.076 1.00 0.00 C ATOM 1065 O MET A 69 -4.105 -4.035 -1.606 1.00 0.00 O ATOM 1066 CB MET A 69 -2.573 -1.719 -3.361 1.00 0.00 C ATOM 1067 CG MET A 69 -1.885 -1.489 -4.696 1.00 0.00 C ATOM 1068 SD MET A 69 -1.264 -3.015 -5.430 1.00 0.00 S ATOM 1069 CE MET A 69 0.008 -3.465 -4.252 1.00 0.00 C ATOM 0 H MET A 69 -4.557 -0.907 -4.583 1.00 0.00 H new ATOM 0 HA MET A 69 -3.652 -3.456 -4.026 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.806 -0.754 -2.910 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.882 -2.227 -2.688 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.586 -1.018 -5.385 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.057 -0.793 -4.559 1.00 0.00 H new ATOM 0 HE1 MET A 69 0.973 -3.507 -4.757 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.047 -2.721 -3.456 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.221 -4.441 -3.825 1.00 0.00 H new ATOM 1079 N ASN A 70 -5.043 -1.997 -1.422 1.00 0.00 N ATOM 1080 CA ASN A 70 -5.566 -2.239 -0.083 1.00 0.00 C ATOM 1081 C ASN A 70 -6.371 -3.534 -0.039 1.00 0.00 C ATOM 1082 O ASN A 70 -7.502 -3.590 -0.519 1.00 0.00 O ATOM 1083 CB ASN A 70 -6.442 -1.065 0.364 1.00 0.00 C ATOM 1084 CG ASN A 70 -7.340 -1.426 1.531 1.00 0.00 C ATOM 1085 OD1 ASN A 70 -8.538 -1.653 1.359 1.00 0.00 O ATOM 1086 ND2 ASN A 70 -6.764 -1.480 2.727 1.00 0.00 N ATOM 0 H ASN A 70 -5.255 -1.073 -1.798 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.721 -2.334 0.599 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.805 -0.226 0.645 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.055 -0.733 -0.474 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.318 -1.717 3.550 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.768 -1.284 2.822 1.00 0.00 H new ATOM 1093 N GLY A 71 -5.779 -4.573 0.543 1.00 0.00 N ATOM 1094 CA GLY A 71 -6.456 -5.853 0.640 1.00 0.00 C ATOM 1095 C GLY A 71 -6.063 -6.802 -0.475 1.00 0.00 C ATOM 1096 O GLY A 71 -6.908 -7.507 -1.028 1.00 0.00 O ATOM 0 H GLY A 71 -4.843 -4.551 0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.224 -6.311 1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.534 -5.693 0.614 1.00 0.00 H new ATOM 1100 N LYS A 72 -4.776 -6.820 -0.809 1.00 0.00 N ATOM 1101 CA LYS A 72 -4.272 -7.689 -1.866 1.00 0.00 C ATOM 1102 C LYS A 72 -3.417 -8.810 -1.286 1.00 0.00 C ATOM 1103 O LYS A 72 -3.085 -8.800 -0.101 1.00 0.00 O ATOM 1104 CB LYS A 72 -3.455 -6.878 -2.874 1.00 0.00 C ATOM 1105 CG LYS A 72 -4.279 -6.330 -4.026 1.00 0.00 C ATOM 1106 CD LYS A 72 -4.543 -7.393 -5.078 1.00 0.00 C ATOM 1107 CE LYS A 72 -3.585 -7.265 -6.253 1.00 0.00 C ATOM 1108 NZ LYS A 72 -4.032 -8.070 -7.423 1.00 0.00 N ATOM 0 H LYS A 72 -4.064 -6.242 -0.363 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.127 -8.135 -2.375 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.974 -6.048 -2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.660 -7.507 -3.274 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.227 -5.949 -3.647 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.756 -5.489 -4.481 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.442 -8.382 -4.631 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.570 -7.307 -5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.504 -6.217 -6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.590 -7.589 -5.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.353 -7.956 -8.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.085 -9.073 -7.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.970 -7.744 -7.731 1.00 0.00 H new ATOM 1122 N GLU A 73 -3.061 -9.774 -2.130 1.00 0.00 N ATOM 1123 CA GLU A 73 -2.243 -10.902 -1.699 1.00 0.00 C ATOM 1124 C GLU A 73 -0.990 -11.025 -2.561 1.00 0.00 C ATOM 1125 O GLU A 73 -1.020 -11.620 -3.639 1.00 0.00 O ATOM 1126 CB GLU A 73 -3.049 -12.201 -1.765 1.00 0.00 C ATOM 1127 CG GLU A 73 -2.213 -13.449 -1.541 1.00 0.00 C ATOM 1128 CD GLU A 73 -3.023 -14.725 -1.668 1.00 0.00 C ATOM 1129 OE1 GLU A 73 -3.356 -15.105 -2.809 1.00 0.00 O ATOM 1130 OE2 GLU A 73 -3.323 -15.342 -0.624 1.00 0.00 O ATOM 0 H GLU A 73 -3.326 -9.796 -3.115 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.939 -10.724 -0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.841 -12.166 -1.017 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.534 -12.269 -2.739 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.396 -13.469 -2.262 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.762 -13.407 -0.550 1.00 0.00 H new ATOM 1137 N ILE A 74 0.111 -10.457 -2.078 1.00 0.00 N ATOM 1138 CA ILE A 74 1.375 -10.503 -2.803 1.00 0.00 C ATOM 1139 C ILE A 74 2.216 -11.697 -2.366 1.00 0.00 C ATOM 1140 O ILE A 74 2.514 -11.859 -1.182 1.00 0.00 O ATOM 1141 CB ILE A 74 2.189 -9.213 -2.598 1.00 0.00 C ATOM 1142 CG1 ILE A 74 1.372 -7.994 -3.029 1.00 0.00 C ATOM 1143 CG2 ILE A 74 3.496 -9.283 -3.373 1.00 0.00 C ATOM 1144 CD1 ILE A 74 1.964 -6.678 -2.576 1.00 0.00 C ATOM 0 H ILE A 74 0.153 -9.960 -1.188 1.00 0.00 H new ATOM 0 HA ILE A 74 1.129 -10.603 -3.860 1.00 0.00 H new ATOM 0 HB ILE A 74 2.423 -9.113 -1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.287 -7.990 -4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.362 -8.085 -2.630 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.061 -8.364 -3.218 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.082 -10.132 -3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.283 -9.403 -4.435 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.332 -5.858 -2.917 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.024 -6.661 -1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.963 -6.565 -2.996 1.00 0.00 H new ATOM 1156 N GLU A 75 2.597 -12.531 -3.329 1.00 0.00 N ATOM 1157 CA GLU A 75 3.406 -13.710 -3.042 1.00 0.00 C ATOM 1158 C GLU A 75 2.733 -14.590 -1.993 1.00 0.00 C ATOM 1159 O GLU A 75 3.401 -15.231 -1.183 1.00 0.00 O ATOM 1160 CB GLU A 75 4.798 -13.297 -2.560 1.00 0.00 C ATOM 1161 CG GLU A 75 5.918 -14.157 -3.121 1.00 0.00 C ATOM 1162 CD GLU A 75 6.322 -13.746 -4.524 1.00 0.00 C ATOM 1163 OE1 GLU A 75 5.438 -13.311 -5.292 1.00 0.00 O ATOM 1164 OE2 GLU A 75 7.521 -13.859 -4.853 1.00 0.00 O ATOM 0 H GLU A 75 2.359 -12.412 -4.314 1.00 0.00 H new ATOM 0 HA GLU A 75 3.504 -14.284 -3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.976 -12.258 -2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.825 -13.345 -1.471 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.785 -14.092 -2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.601 -15.200 -3.129 1.00 0.00 H new ATOM 1171 N GLY A 76 1.403 -14.614 -2.013 1.00 0.00 N ATOM 1172 CA GLY A 76 0.661 -15.416 -1.059 1.00 0.00 C ATOM 1173 C GLY A 76 0.791 -14.898 0.360 1.00 0.00 C ATOM 1174 O GLY A 76 0.588 -15.642 1.319 1.00 0.00 O ATOM 0 H GLY A 76 0.827 -14.092 -2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.391 -15.430 -1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.016 -16.446 -1.101 1.00 0.00 H new ATOM 1178 N GLU A 77 1.134 -13.621 0.493 1.00 0.00 N ATOM 1179 CA GLU A 77 1.293 -13.007 1.805 1.00 0.00 C ATOM 1180 C GLU A 77 0.331 -11.834 1.978 1.00 0.00 C ATOM 1181 O GLU A 77 0.342 -10.889 1.189 1.00 0.00 O ATOM 1182 CB GLU A 77 2.734 -12.531 1.998 1.00 0.00 C ATOM 1183 CG GLU A 77 3.718 -13.658 2.263 1.00 0.00 C ATOM 1184 CD GLU A 77 4.041 -13.816 3.737 1.00 0.00 C ATOM 1185 OE1 GLU A 77 3.108 -14.073 4.525 1.00 0.00 O ATOM 1186 OE2 GLU A 77 5.229 -13.683 4.099 1.00 0.00 O ATOM 0 H GLU A 77 1.307 -12.992 -0.291 1.00 0.00 H new ATOM 0 HA GLU A 77 1.061 -13.759 2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.050 -11.986 1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.767 -11.828 2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.305 -14.593 1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.639 -13.469 1.711 1.00 0.00 H new ATOM 1193 N GLU A 78 -0.499 -11.904 3.014 1.00 0.00 N ATOM 1194 CA GLU A 78 -1.467 -10.850 3.288 1.00 0.00 C ATOM 1195 C GLU A 78 -0.765 -9.524 3.568 1.00 0.00 C ATOM 1196 O GLU A 78 -0.298 -9.281 4.681 1.00 0.00 O ATOM 1197 CB GLU A 78 -2.349 -11.234 4.479 1.00 0.00 C ATOM 1198 CG GLU A 78 -3.753 -11.659 4.085 1.00 0.00 C ATOM 1199 CD GLU A 78 -4.824 -10.786 4.709 1.00 0.00 C ATOM 1200 OE1 GLU A 78 -4.728 -9.547 4.581 1.00 0.00 O ATOM 1201 OE2 GLU A 78 -5.757 -11.340 5.327 1.00 0.00 O ATOM 0 H GLU A 78 -0.520 -12.679 3.677 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.093 -10.730 2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.872 -12.048 5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.413 -10.386 5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.848 -11.624 3.000 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.913 -12.694 4.386 1.00 0.00 H new ATOM 1208 N ILE A 79 -0.693 -8.674 2.550 1.00 0.00 N ATOM 1209 CA ILE A 79 -0.049 -7.374 2.687 1.00 0.00 C ATOM 1210 C ILE A 79 -1.027 -6.326 3.208 1.00 0.00 C ATOM 1211 O ILE A 79 -2.221 -6.381 2.918 1.00 0.00 O ATOM 1212 CB ILE A 79 0.536 -6.891 1.345 1.00 0.00 C ATOM 1213 CG1 ILE A 79 -0.562 -6.817 0.283 1.00 0.00 C ATOM 1214 CG2 ILE A 79 1.656 -7.816 0.892 1.00 0.00 C ATOM 1215 CD1 ILE A 79 -0.732 -5.437 -0.315 1.00 0.00 C ATOM 0 H ILE A 79 -1.072 -8.862 1.622 1.00 0.00 H new ATOM 0 HA ILE A 79 0.762 -7.499 3.405 1.00 0.00 H new ATOM 0 HB ILE A 79 0.950 -5.892 1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.333 -7.524 -0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.507 -7.131 0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.059 -7.462 -0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.447 -7.824 1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.265 -8.826 0.766 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.527 -5.459 -1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.992 -4.729 0.472 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.200 -5.128 -0.788 1.00 0.00 H new ATOM 1227 N GLU A 80 -0.510 -5.373 3.977 1.00 0.00 N ATOM 1228 CA GLU A 80 -1.339 -4.312 4.537 1.00 0.00 C ATOM 1229 C GLU A 80 -0.924 -2.950 3.990 1.00 0.00 C ATOM 1230 O GLU A 80 0.206 -2.771 3.533 1.00 0.00 O ATOM 1231 CB GLU A 80 -1.242 -4.311 6.064 1.00 0.00 C ATOM 1232 CG GLU A 80 -2.516 -3.856 6.756 1.00 0.00 C ATOM 1233 CD GLU A 80 -2.366 -3.776 8.262 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -2.355 -4.841 8.915 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -2.260 -2.648 8.789 1.00 0.00 O ATOM 0 H GLU A 80 0.477 -5.314 4.226 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.372 -4.502 4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.993 -5.316 6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.422 -3.660 6.367 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.804 -2.878 6.371 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.324 -4.546 6.511 1.00 0.00 H new ATOM 1242 N ILE A 81 -1.845 -1.994 4.037 1.00 0.00 N ATOM 1243 CA ILE A 81 -1.575 -0.648 3.546 1.00 0.00 C ATOM 1244 C ILE A 81 -2.235 0.403 4.431 1.00 0.00 C ATOM 1245 O ILE A 81 -3.383 0.246 4.850 1.00 0.00 O ATOM 1246 CB ILE A 81 -2.069 -0.467 2.098 1.00 0.00 C ATOM 1247 CG1 ILE A 81 -1.554 -1.606 1.215 1.00 0.00 C ATOM 1248 CG2 ILE A 81 -1.620 0.880 1.550 1.00 0.00 C ATOM 1249 CD1 ILE A 81 -2.085 -1.559 -0.201 1.00 0.00 C ATOM 0 H ILE A 81 -2.785 -2.126 4.410 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.494 -0.514 3.572 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.159 -0.494 2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.465 -1.570 1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.830 -2.559 1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.976 0.993 0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -2.030 1.679 2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.531 0.934 1.563 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.679 -2.395 -0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -3.173 -1.626 -0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.786 -0.622 -0.671 1.00 0.00 H new ATOM 1261 N VAL A 82 -1.504 1.478 4.712 1.00 0.00 N ATOM 1262 CA VAL A 82 -2.020 2.557 5.545 1.00 0.00 C ATOM 1263 C VAL A 82 -1.416 3.898 5.142 1.00 0.00 C ATOM 1264 O VAL A 82 -0.221 3.993 4.857 1.00 0.00 O ATOM 1265 CB VAL A 82 -1.729 2.303 7.035 1.00 0.00 C ATOM 1266 CG1 VAL A 82 -2.353 0.989 7.485 1.00 0.00 C ATOM 1267 CG2 VAL A 82 -0.230 2.307 7.295 1.00 0.00 C ATOM 0 H VAL A 82 -0.553 1.624 4.375 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.099 2.587 5.393 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.177 3.109 7.616 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.137 0.826 8.541 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.432 1.029 7.338 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.937 0.169 6.899 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.044 2.126 8.354 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.244 1.523 6.704 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.185 3.275 7.014 1.00 0.00 H new ATOM 1277 N LEU A 83 -2.249 4.933 5.121 1.00 0.00 N ATOM 1278 CA LEU A 83 -1.797 6.271 4.755 1.00 0.00 C ATOM 1279 C LEU A 83 -0.716 6.762 5.712 1.00 0.00 C ATOM 1280 O LEU A 83 -0.946 6.881 6.915 1.00 0.00 O ATOM 1281 CB LEU A 83 -2.976 7.246 4.755 1.00 0.00 C ATOM 1282 CG LEU A 83 -3.809 7.291 3.473 1.00 0.00 C ATOM 1283 CD1 LEU A 83 -5.243 7.694 3.783 1.00 0.00 C ATOM 1284 CD2 LEU A 83 -3.189 8.250 2.467 1.00 0.00 C ATOM 0 H LEU A 83 -3.240 4.871 5.353 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.373 6.223 3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.635 6.988 5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.594 8.248 4.952 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.820 6.293 3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.821 7.721 2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.685 6.969 4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.252 8.681 4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.795 8.269 1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.147 9.251 2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.180 7.918 2.222 1.00 0.00 H new ATOM 1296 N ALA A 84 0.462 7.048 5.168 1.00 0.00 N ATOM 1297 CA ALA A 84 1.578 7.532 5.973 1.00 0.00 C ATOM 1298 C ALA A 84 1.470 9.033 6.214 1.00 0.00 C ATOM 1299 O ALA A 84 1.592 9.833 5.287 1.00 0.00 O ATOM 1300 CB ALA A 84 2.899 7.196 5.297 1.00 0.00 C ATOM 0 H ALA A 84 0.669 6.953 4.174 1.00 0.00 H new ATOM 0 HA ALA A 84 1.541 7.033 6.941 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.724 7.563 5.908 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.985 6.115 5.182 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.936 7.669 4.316 1.00 0.00 H new