USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 554 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 Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 23 SER OG : rot 73:sc= -2.14! USER MOD Single : A 24 MET CE :methyl 172:sc= 0 (180deg=-0.111) USER MOD Single : A 25 ASN : amide:sc=-0.00064 K(o=-0.00064,f=-1.2) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 149:sc= -0.254 (180deg=-1.21!) USER MOD Single : A 41 LYS NZ :NH3+ -143:sc= -0.828 (180deg=-2.84) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -6.38! C(o=-6.4!,f=-13!) USER MOD Single : A 50 THR OG1 : rot -106:sc= 0.415 USER MOD Single : A 54 CYS SG : rot 150:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0535 X(o=-0.053,f=0) USER MOD Single : A 56 MET CE :methyl -150:sc= -0.571 (180deg=-2.79!) USER MOD Single : A 58 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.252) USER MOD Single : A 66 ASN : amide:sc= -0.0125 X(o=-0.012,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.187) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -1.25 K(o=-1.2,f=-0.43) USER MOD Single : A 78 SER OG : rot -56:sc= 0.111 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -2.42 K(o=-2.4,f=-3.9!) USER MOD Single : A 87 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.32) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.929 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 67:sc= 0.43 USER MOD ----------------------------------------------------------------- ATOM 246 N ASP A 19 1.238 0.677 -11.451 1.00 0.00 N ATOM 247 CA ASP A 19 -0.089 1.058 -10.985 1.00 0.00 C ATOM 248 C ASP A 19 -0.022 1.651 -9.580 1.00 0.00 C ATOM 249 O ASP A 19 -0.798 2.541 -9.233 1.00 0.00 O ATOM 250 CB ASP A 19 -1.025 -0.151 -10.997 1.00 0.00 C ATOM 251 CG ASP A 19 -1.667 -0.373 -12.352 1.00 0.00 C ATOM 252 OD1 ASP A 19 -0.927 -0.627 -13.326 1.00 0.00 O ATOM 253 OD2 ASP A 19 -2.910 -0.292 -12.440 1.00 0.00 O ATOM 0 HA ASP A 19 -0.480 1.817 -11.663 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.466 -1.042 -10.713 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.804 -0.011 -10.248 1.00 0.00 H new ATOM 258 N PHE A 20 0.909 1.150 -8.776 1.00 0.00 N ATOM 259 CA PHE A 20 1.077 1.628 -7.409 1.00 0.00 C ATOM 260 C PHE A 20 1.499 3.094 -7.393 1.00 0.00 C ATOM 261 O PHE A 20 0.820 3.940 -6.812 1.00 0.00 O ATOM 262 CB PHE A 20 2.115 0.779 -6.672 1.00 0.00 C ATOM 263 CG PHE A 20 2.289 1.162 -5.231 1.00 0.00 C ATOM 264 CD1 PHE A 20 3.092 2.234 -4.877 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.650 0.449 -4.229 1.00 0.00 C ATOM 266 CE1 PHE A 20 3.255 2.590 -3.551 1.00 0.00 C ATOM 267 CE2 PHE A 20 1.808 0.800 -2.901 1.00 0.00 C ATOM 268 CZ PHE A 20 2.612 1.871 -2.562 1.00 0.00 C ATOM 0 H PHE A 20 1.559 0.413 -9.048 1.00 0.00 H new ATOM 0 HA PHE A 20 0.117 1.539 -6.900 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.821 -0.269 -6.728 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.074 0.869 -7.182 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.597 2.799 -5.647 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.022 -0.390 -4.488 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.884 3.428 -3.289 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.303 0.237 -2.129 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.738 2.146 -1.525 1.00 0.00 H new ATOM 278 N GLU A 21 2.626 3.386 -8.035 1.00 0.00 N ATOM 279 CA GLU A 21 3.139 4.750 -8.094 1.00 0.00 C ATOM 280 C GLU A 21 2.012 5.745 -8.352 1.00 0.00 C ATOM 281 O GLU A 21 2.025 6.861 -7.834 1.00 0.00 O ATOM 282 CB GLU A 21 4.202 4.871 -9.188 1.00 0.00 C ATOM 283 CG GLU A 21 5.608 4.549 -8.709 1.00 0.00 C ATOM 284 CD GLU A 21 6.676 5.271 -9.508 1.00 0.00 C ATOM 285 OE1 GLU A 21 6.857 4.931 -10.697 1.00 0.00 O ATOM 286 OE2 GLU A 21 7.330 6.174 -8.946 1.00 0.00 O ATOM 0 H GLU A 21 3.200 2.697 -8.521 1.00 0.00 H new ATOM 0 HA GLU A 21 3.591 4.983 -7.130 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.945 4.201 -10.009 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.187 5.885 -9.587 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.701 4.820 -7.657 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.774 3.474 -8.777 1.00 0.00 H new ATOM 293 N ASN A 22 1.038 5.332 -9.156 1.00 0.00 N ATOM 294 CA ASN A 22 -0.097 6.187 -9.484 1.00 0.00 C ATOM 295 C ASN A 22 -1.077 6.262 -8.317 1.00 0.00 C ATOM 296 O ASN A 22 -1.548 7.340 -7.957 1.00 0.00 O ATOM 297 CB ASN A 22 -0.811 5.665 -10.732 1.00 0.00 C ATOM 298 CG ASN A 22 -0.043 5.962 -12.005 1.00 0.00 C ATOM 299 OD1 ASN A 22 0.152 7.122 -12.369 1.00 0.00 O ATOM 300 ND2 ASN A 22 0.398 4.913 -12.689 1.00 0.00 N ATOM 0 H ASN A 22 1.012 4.410 -9.592 1.00 0.00 H new ATOM 0 HA ASN A 22 0.281 7.190 -9.683 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.955 4.588 -10.641 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.802 6.115 -10.795 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.922 5.051 -13.553 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.213 3.969 -12.350 1.00 0.00 H new ATOM 307 N SER A 23 -1.379 5.108 -7.730 1.00 0.00 N ATOM 308 CA SER A 23 -2.306 5.042 -6.606 1.00 0.00 C ATOM 309 C SER A 23 -1.828 5.922 -5.456 1.00 0.00 C ATOM 310 O SER A 23 -2.574 6.759 -4.949 1.00 0.00 O ATOM 311 CB SER A 23 -2.458 3.596 -6.128 1.00 0.00 C ATOM 312 OG SER A 23 -3.123 2.806 -7.099 1.00 0.00 O ATOM 0 H SER A 23 -0.995 4.207 -8.014 1.00 0.00 H new ATOM 0 HA SER A 23 -3.275 5.410 -6.943 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.475 3.173 -5.921 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.017 3.576 -5.193 1.00 0.00 H new ATOM 0 HG SER A 23 -2.518 2.632 -7.850 1.00 0.00 H new ATOM 318 N MET A 24 -0.578 5.726 -5.049 1.00 0.00 N ATOM 319 CA MET A 24 0.001 6.502 -3.958 1.00 0.00 C ATOM 320 C MET A 24 -0.073 7.996 -4.256 1.00 0.00 C ATOM 321 O MET A 24 -0.280 8.808 -3.355 1.00 0.00 O ATOM 322 CB MET A 24 1.456 6.088 -3.726 1.00 0.00 C ATOM 323 CG MET A 24 2.310 6.137 -4.982 1.00 0.00 C ATOM 324 SD MET A 24 4.039 6.509 -4.633 1.00 0.00 S ATOM 325 CE MET A 24 4.334 7.855 -5.777 1.00 0.00 C ATOM 0 H MET A 24 0.053 5.037 -5.458 1.00 0.00 H new ATOM 0 HA MET A 24 -0.575 6.300 -3.055 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.895 6.742 -2.972 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.477 5.076 -3.322 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.246 5.179 -5.498 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.910 6.891 -5.659 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.315 8.289 -5.583 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.299 7.478 -6.799 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.567 8.619 -5.646 1.00 0.00 H new ATOM 335 N ASN A 25 0.097 8.352 -5.525 1.00 0.00 N ATOM 336 CA ASN A 25 0.049 9.749 -5.940 1.00 0.00 C ATOM 337 C ASN A 25 -1.326 10.351 -5.668 1.00 0.00 C ATOM 338 O ASN A 25 -1.438 11.425 -5.079 1.00 0.00 O ATOM 339 CB ASN A 25 0.387 9.872 -7.428 1.00 0.00 C ATOM 340 CG ASN A 25 0.573 11.314 -7.860 1.00 0.00 C ATOM 341 OD1 ASN A 25 0.735 12.207 -7.029 1.00 0.00 O ATOM 342 ND2 ASN A 25 0.552 11.546 -9.168 1.00 0.00 N ATOM 0 H ASN A 25 0.269 7.692 -6.284 1.00 0.00 H new ATOM 0 HA ASN A 25 0.788 10.300 -5.359 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.298 9.312 -7.639 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.410 9.418 -8.018 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.673 12.496 -9.519 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.415 10.774 -9.821 1.00 0.00 H new ATOM 349 N GLN A 26 -2.369 9.650 -6.102 1.00 0.00 N ATOM 350 CA GLN A 26 -3.737 10.116 -5.905 1.00 0.00 C ATOM 351 C GLN A 26 -3.982 10.482 -4.444 1.00 0.00 C ATOM 352 O GLN A 26 -4.577 11.517 -4.145 1.00 0.00 O ATOM 353 CB GLN A 26 -4.732 9.042 -6.348 1.00 0.00 C ATOM 354 CG GLN A 26 -4.563 8.618 -7.798 1.00 0.00 C ATOM 355 CD GLN A 26 -5.639 7.651 -8.252 1.00 0.00 C ATOM 356 OE1 GLN A 26 -5.429 6.438 -8.277 1.00 0.00 O ATOM 357 NE2 GLN A 26 -6.800 8.184 -8.614 1.00 0.00 N ATOM 0 H GLN A 26 -2.293 8.758 -6.592 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.882 11.009 -6.513 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.620 8.168 -5.707 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.746 9.415 -6.203 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.582 9.502 -8.436 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.585 8.154 -7.925 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.930 9.195 -8.578 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.561 7.582 -8.928 1.00 0.00 H new ATOM 366 N VAL A 27 -3.520 9.625 -3.539 1.00 0.00 N ATOM 367 CA VAL A 27 -3.689 9.858 -2.110 1.00 0.00 C ATOM 368 C VAL A 27 -2.912 11.090 -1.659 1.00 0.00 C ATOM 369 O VAL A 27 -3.200 11.671 -0.612 1.00 0.00 O ATOM 370 CB VAL A 27 -3.227 8.643 -1.284 1.00 0.00 C ATOM 371 CG1 VAL A 27 -3.320 8.941 0.204 1.00 0.00 C ATOM 372 CG2 VAL A 27 -4.048 7.413 -1.642 1.00 0.00 C ATOM 0 H VAL A 27 -3.026 8.763 -3.770 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.753 10.020 -1.940 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.184 8.439 -1.524 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.989 8.071 0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.685 9.793 0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.353 9.173 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.708 6.564 -1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.100 7.604 -1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.924 7.189 -2.701 1.00 0.00 H new ATOM 382 N LYS A 28 -1.925 11.485 -2.456 1.00 0.00 N ATOM 383 CA LYS A 28 -1.107 12.650 -2.141 1.00 0.00 C ATOM 384 C LYS A 28 -1.691 13.912 -2.768 1.00 0.00 C ATOM 385 O LYS A 28 -1.410 15.025 -2.324 1.00 0.00 O ATOM 386 CB LYS A 28 0.327 12.439 -2.634 1.00 0.00 C ATOM 387 CG LYS A 28 1.098 11.401 -1.837 1.00 0.00 C ATOM 388 CD LYS A 28 2.598 11.611 -1.951 1.00 0.00 C ATOM 389 CE LYS A 28 3.099 11.301 -3.354 1.00 0.00 C ATOM 390 NZ LYS A 28 4.560 11.555 -3.489 1.00 0.00 N ATOM 0 H LYS A 28 -1.672 11.015 -3.325 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.099 12.775 -1.058 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.301 12.136 -3.681 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.861 13.388 -2.590 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.801 11.452 -0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.841 10.403 -2.193 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.843 12.642 -1.696 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.112 10.974 -1.231 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.888 10.259 -3.593 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.556 11.910 -4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.863 11.332 -4.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.759 12.555 -3.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.080 10.955 -2.817 1.00 0.00 H new ATOM 519 N ASN A 36 -7.534 9.348 10.355 1.00 0.00 N ATOM 520 CA ASN A 36 -6.334 8.657 10.814 1.00 0.00 C ATOM 521 C ASN A 36 -6.457 7.152 10.596 1.00 0.00 C ATOM 522 O ASN A 36 -5.455 6.441 10.535 1.00 0.00 O ATOM 523 CB ASN A 36 -6.087 8.951 12.295 1.00 0.00 C ATOM 524 CG ASN A 36 -5.413 10.291 12.514 1.00 0.00 C ATOM 525 OD1 ASN A 36 -6.073 11.293 12.788 1.00 0.00 O ATOM 526 ND2 ASN A 36 -4.090 10.315 12.394 1.00 0.00 N ATOM 0 HA ASN A 36 -5.488 9.023 10.232 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.037 8.934 12.829 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.467 8.162 12.721 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.581 11.189 12.530 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.583 9.460 12.166 1.00 0.00 H new ATOM 533 N GLU A 37 -7.692 6.675 10.479 1.00 0.00 N ATOM 534 CA GLU A 37 -7.945 5.255 10.268 1.00 0.00 C ATOM 535 C GLU A 37 -7.339 4.784 8.949 1.00 0.00 C ATOM 536 O GLU A 37 -6.668 3.754 8.894 1.00 0.00 O ATOM 537 CB GLU A 37 -9.449 4.975 10.279 1.00 0.00 C ATOM 538 CG GLU A 37 -10.189 5.575 9.095 1.00 0.00 C ATOM 539 CD GLU A 37 -11.691 5.604 9.300 1.00 0.00 C ATOM 540 OE1 GLU A 37 -12.157 6.371 10.169 1.00 0.00 O ATOM 541 OE2 GLU A 37 -12.401 4.860 8.591 1.00 0.00 O ATOM 0 H GLU A 37 -8.533 7.251 10.527 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.474 4.704 11.082 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.609 3.897 10.288 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.877 5.369 11.201 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.830 6.590 8.923 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.959 4.999 8.198 1.00 0.00 H new ATOM 548 N VAL A 38 -7.581 5.547 7.888 1.00 0.00 N ATOM 549 CA VAL A 38 -7.060 5.210 6.569 1.00 0.00 C ATOM 550 C VAL A 38 -5.606 5.647 6.424 1.00 0.00 C ATOM 551 O VAL A 38 -4.791 4.943 5.828 1.00 0.00 O ATOM 552 CB VAL A 38 -7.894 5.864 5.451 1.00 0.00 C ATOM 553 CG1 VAL A 38 -8.141 7.333 5.759 1.00 0.00 C ATOM 554 CG2 VAL A 38 -7.203 5.701 4.106 1.00 0.00 C ATOM 0 H VAL A 38 -8.135 6.403 7.916 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.123 4.126 6.472 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.860 5.361 5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.732 7.778 4.958 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.682 7.421 6.701 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.187 7.854 5.838 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.806 6.169 3.328 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.223 6.177 4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.084 4.640 3.884 1.00 0.00 H new ATOM 564 N LYS A 39 -5.287 6.813 6.975 1.00 0.00 N ATOM 565 CA LYS A 39 -3.931 7.345 6.911 1.00 0.00 C ATOM 566 C LYS A 39 -2.921 6.322 7.421 1.00 0.00 C ATOM 567 O LYS A 39 -1.725 6.425 7.144 1.00 0.00 O ATOM 568 CB LYS A 39 -3.827 8.633 7.730 1.00 0.00 C ATOM 569 CG LYS A 39 -4.125 9.889 6.929 1.00 0.00 C ATOM 570 CD LYS A 39 -5.615 10.183 6.887 1.00 0.00 C ATOM 571 CE LYS A 39 -6.041 11.073 8.044 1.00 0.00 C ATOM 572 NZ LYS A 39 -5.266 12.345 8.080 1.00 0.00 N ATOM 0 H LYS A 39 -5.950 7.408 7.471 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.703 7.566 5.868 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.518 8.576 8.571 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.823 8.708 8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.598 10.736 7.369 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.748 9.772 5.913 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.865 10.667 5.943 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.173 9.247 6.922 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.104 11.298 7.957 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.904 10.538 8.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.860 13.102 8.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.423 12.221 8.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.973 12.600 7.115 1.00 0.00 H new ATOM 586 N LEU A 40 -3.409 5.336 8.165 1.00 0.00 N ATOM 587 CA LEU A 40 -2.548 4.294 8.713 1.00 0.00 C ATOM 588 C LEU A 40 -2.490 3.089 7.779 1.00 0.00 C ATOM 589 O LEU A 40 -1.424 2.517 7.550 1.00 0.00 O ATOM 590 CB LEU A 40 -3.051 3.861 10.091 1.00 0.00 C ATOM 591 CG LEU A 40 -2.814 4.849 11.233 1.00 0.00 C ATOM 592 CD1 LEU A 40 -3.811 4.616 12.358 1.00 0.00 C ATOM 593 CD2 LEU A 40 -1.387 4.734 11.750 1.00 0.00 C ATOM 0 H LEU A 40 -4.396 5.236 8.403 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.543 4.703 8.812 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.121 3.668 10.021 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.573 2.916 10.350 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.961 5.859 10.850 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.626 5.329 13.162 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.824 4.750 11.980 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.698 3.601 12.740 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.236 5.445 12.563 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.213 3.722 12.116 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.689 4.953 10.942 1.00 0.00 H new ATOM 605 N LYS A 41 -3.643 2.709 7.240 1.00 0.00 N ATOM 606 CA LYS A 41 -3.725 1.575 6.327 1.00 0.00 C ATOM 607 C LYS A 41 -2.872 1.814 5.085 1.00 0.00 C ATOM 608 O LYS A 41 -2.256 0.888 4.555 1.00 0.00 O ATOM 609 CB LYS A 41 -5.179 1.326 5.920 1.00 0.00 C ATOM 610 CG LYS A 41 -5.597 2.075 4.667 1.00 0.00 C ATOM 611 CD LYS A 41 -7.108 2.093 4.505 1.00 0.00 C ATOM 612 CE LYS A 41 -7.651 0.705 4.200 1.00 0.00 C ATOM 613 NZ LYS A 41 -6.881 0.033 3.117 1.00 0.00 N ATOM 0 H LYS A 41 -4.535 3.170 7.420 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.343 0.695 6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.325 0.258 5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.833 1.617 6.742 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.223 3.098 4.712 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.142 1.607 3.794 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.569 2.473 5.417 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.381 2.777 3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.616 0.095 5.103 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.698 0.781 3.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.530 -0.520 2.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.403 0.750 2.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.171 -0.601 3.537 1.00 0.00 H new ATOM 627 N LEU A 42 -2.838 3.060 4.626 1.00 0.00 N ATOM 628 CA LEU A 42 -2.059 3.420 3.447 1.00 0.00 C ATOM 629 C LEU A 42 -0.564 3.317 3.730 1.00 0.00 C ATOM 630 O LEU A 42 0.233 3.062 2.827 1.00 0.00 O ATOM 631 CB LEU A 42 -2.408 4.840 2.995 1.00 0.00 C ATOM 632 CG LEU A 42 -3.554 4.962 1.990 1.00 0.00 C ATOM 633 CD1 LEU A 42 -3.231 4.195 0.718 1.00 0.00 C ATOM 634 CD2 LEU A 42 -4.854 4.462 2.602 1.00 0.00 C ATOM 0 H LEU A 42 -3.341 3.838 5.053 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.308 2.720 2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.661 5.429 3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.517 5.289 2.556 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.678 6.014 1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.058 4.293 0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.323 4.599 0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.080 3.142 0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.659 4.556 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.743 3.416 2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.093 5.055 3.485 1.00 0.00 H new ATOM 646 N TYR A 43 -0.191 3.516 4.990 1.00 0.00 N ATOM 647 CA TYR A 43 1.209 3.445 5.392 1.00 0.00 C ATOM 648 C TYR A 43 1.604 2.014 5.742 1.00 0.00 C ATOM 649 O TYR A 43 2.749 1.608 5.545 1.00 0.00 O ATOM 650 CB TYR A 43 1.464 4.363 6.589 1.00 0.00 C ATOM 651 CG TYR A 43 2.530 3.849 7.530 1.00 0.00 C ATOM 652 CD1 TYR A 43 3.871 4.141 7.317 1.00 0.00 C ATOM 653 CD2 TYR A 43 2.195 3.071 8.632 1.00 0.00 C ATOM 654 CE1 TYR A 43 4.849 3.672 8.174 1.00 0.00 C ATOM 655 CE2 TYR A 43 3.165 2.600 9.495 1.00 0.00 C ATOM 656 CZ TYR A 43 4.491 2.903 9.262 1.00 0.00 C ATOM 657 OH TYR A 43 5.460 2.435 10.118 1.00 0.00 O ATOM 0 H TYR A 43 -0.838 3.728 5.750 1.00 0.00 H new ATOM 0 HA TYR A 43 1.819 3.776 4.551 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.757 5.348 6.225 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.534 4.491 7.142 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.154 4.745 6.468 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.158 2.831 8.817 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.888 3.906 7.993 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.887 1.998 10.347 1.00 0.00 H new ATOM 0 HH TYR A 43 5.040 1.911 10.832 1.00 0.00 H new ATOM 667 N ALA A 44 0.647 1.253 6.262 1.00 0.00 N ATOM 668 CA ALA A 44 0.892 -0.134 6.637 1.00 0.00 C ATOM 669 C ALA A 44 1.371 -0.950 5.440 1.00 0.00 C ATOM 670 O ALA A 44 2.344 -1.699 5.536 1.00 0.00 O ATOM 671 CB ALA A 44 -0.366 -0.751 7.229 1.00 0.00 C ATOM 0 H ALA A 44 -0.306 1.574 6.433 1.00 0.00 H new ATOM 0 HA ALA A 44 1.679 -0.147 7.391 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.168 -1.787 7.504 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.664 -0.190 8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.169 -0.718 6.492 1.00 0.00 H new ATOM 677 N LEU A 45 0.682 -0.800 4.315 1.00 0.00 N ATOM 678 CA LEU A 45 1.037 -1.524 3.099 1.00 0.00 C ATOM 679 C LEU A 45 2.345 -0.999 2.515 1.00 0.00 C ATOM 680 O LEU A 45 3.232 -1.774 2.155 1.00 0.00 O ATOM 681 CB LEU A 45 -0.082 -1.401 2.063 1.00 0.00 C ATOM 682 CG LEU A 45 -1.335 -2.237 2.328 1.00 0.00 C ATOM 683 CD1 LEU A 45 -0.961 -3.592 2.908 1.00 0.00 C ATOM 684 CD2 LEU A 45 -2.281 -1.497 3.263 1.00 0.00 C ATOM 0 H LEU A 45 -0.125 -0.184 4.219 1.00 0.00 H new ATOM 0 HA LEU A 45 1.171 -2.574 3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.375 -0.353 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.319 -1.682 1.089 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.847 -2.400 1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.866 -4.172 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.323 -4.126 2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.426 -3.451 3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.167 -2.106 3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.778 -1.303 4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.576 -0.551 2.808 1.00 0.00 H new ATOM 696 N TYR A 46 2.459 0.322 2.425 1.00 0.00 N ATOM 697 CA TYR A 46 3.658 0.951 1.885 1.00 0.00 C ATOM 698 C TYR A 46 4.917 0.282 2.430 1.00 0.00 C ATOM 699 O TYR A 46 5.746 -0.219 1.671 1.00 0.00 O ATOM 700 CB TYR A 46 3.673 2.443 2.222 1.00 0.00 C ATOM 701 CG TYR A 46 5.006 3.108 1.964 1.00 0.00 C ATOM 702 CD1 TYR A 46 5.490 3.260 0.670 1.00 0.00 C ATOM 703 CD2 TYR A 46 5.782 3.585 3.013 1.00 0.00 C ATOM 704 CE1 TYR A 46 6.707 3.867 0.429 1.00 0.00 C ATOM 705 CE2 TYR A 46 6.999 4.195 2.781 1.00 0.00 C ATOM 706 CZ TYR A 46 7.458 4.333 1.488 1.00 0.00 C ATOM 707 OH TYR A 46 8.671 4.939 1.253 1.00 0.00 O ATOM 0 H TYR A 46 1.735 0.978 2.719 1.00 0.00 H new ATOM 0 HA TYR A 46 3.644 0.830 0.802 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.905 2.947 1.635 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.409 2.573 3.271 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.904 2.897 -0.162 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.427 3.477 4.027 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.069 3.976 -0.583 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.588 4.562 3.608 1.00 0.00 H new ATOM 0 HH TYR A 46 9.072 5.211 2.105 1.00 0.00 H new ATOM 717 N LYS A 47 5.051 0.278 3.752 1.00 0.00 N ATOM 718 CA LYS A 47 6.206 -0.329 4.402 1.00 0.00 C ATOM 719 C LYS A 47 6.230 -1.837 4.171 1.00 0.00 C ATOM 720 O LYS A 47 7.253 -2.489 4.377 1.00 0.00 O ATOM 721 CB LYS A 47 6.186 -0.033 5.903 1.00 0.00 C ATOM 722 CG LYS A 47 6.205 1.450 6.231 1.00 0.00 C ATOM 723 CD LYS A 47 7.595 2.040 6.063 1.00 0.00 C ATOM 724 CE LYS A 47 8.429 1.871 7.323 1.00 0.00 C ATOM 725 NZ LYS A 47 9.812 2.395 7.147 1.00 0.00 N ATOM 0 H LYS A 47 4.373 0.689 4.394 1.00 0.00 H new ATOM 0 HA LYS A 47 7.106 0.103 3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.295 -0.482 6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.047 -0.511 6.371 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.505 1.976 5.582 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.866 1.601 7.256 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.098 1.556 5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.515 3.099 5.818 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.946 2.391 8.151 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.472 0.815 7.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.349 2.261 8.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.282 1.882 6.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.773 3.408 6.916 1.00 0.00 H new ATOM 739 N GLN A 48 5.098 -2.383 3.739 1.00 0.00 N ATOM 740 CA GLN A 48 4.990 -3.814 3.479 1.00 0.00 C ATOM 741 C GLN A 48 5.461 -4.147 2.068 1.00 0.00 C ATOM 742 O GLN A 48 6.035 -5.210 1.829 1.00 0.00 O ATOM 743 CB GLN A 48 3.547 -4.282 3.672 1.00 0.00 C ATOM 744 CG GLN A 48 3.422 -5.772 3.942 1.00 0.00 C ATOM 745 CD GLN A 48 3.568 -6.114 5.412 1.00 0.00 C ATOM 746 OE1 GLN A 48 3.312 -5.282 6.283 1.00 0.00 O ATOM 747 NE2 GLN A 48 3.982 -7.343 5.696 1.00 0.00 N ATOM 0 H GLN A 48 4.243 -1.856 3.562 1.00 0.00 H new ATOM 0 HA GLN A 48 5.631 -4.336 4.189 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.104 -3.732 4.502 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.971 -4.033 2.781 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.453 -6.122 3.586 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.182 -6.306 3.372 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.183 -8.000 4.942 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.099 -7.630 6.668 1.00 0.00 H new ATOM 756 N ALA A 49 5.215 -3.232 1.135 1.00 0.00 N ATOM 757 CA ALA A 49 5.616 -3.429 -0.252 1.00 0.00 C ATOM 758 C ALA A 49 6.939 -2.730 -0.546 1.00 0.00 C ATOM 759 O ALA A 49 7.323 -2.565 -1.705 1.00 0.00 O ATOM 760 CB ALA A 49 4.530 -2.924 -1.191 1.00 0.00 C ATOM 0 H ALA A 49 4.740 -2.348 1.315 1.00 0.00 H new ATOM 0 HA ALA A 49 5.756 -4.497 -0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.842 -3.077 -2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.606 -3.472 -1.006 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.363 -1.861 -1.016 1.00 0.00 H new ATOM 766 N THR A 50 7.633 -2.319 0.511 1.00 0.00 N ATOM 767 CA THR A 50 8.912 -1.635 0.366 1.00 0.00 C ATOM 768 C THR A 50 9.966 -2.241 1.286 1.00 0.00 C ATOM 769 O THR A 50 11.084 -2.529 0.859 1.00 0.00 O ATOM 770 CB THR A 50 8.784 -0.131 0.671 1.00 0.00 C ATOM 771 OG1 THR A 50 8.252 0.058 1.988 1.00 0.00 O ATOM 772 CG2 THR A 50 7.884 0.553 -0.347 1.00 0.00 C ATOM 0 H THR A 50 7.331 -2.448 1.477 1.00 0.00 H new ATOM 0 HA THR A 50 9.222 -1.762 -0.671 1.00 0.00 H new ATOM 0 HB THR A 50 9.777 0.315 0.612 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.318 0.349 1.925 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.809 1.614 -0.111 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.306 0.432 -1.345 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.892 0.103 -0.316 1.00 0.00 H new ATOM 780 N GLU A 51 9.602 -2.432 2.550 1.00 0.00 N ATOM 781 CA GLU A 51 10.519 -3.003 3.530 1.00 0.00 C ATOM 782 C GLU A 51 10.137 -4.444 3.856 1.00 0.00 C ATOM 783 O GLU A 51 10.999 -5.285 4.106 1.00 0.00 O ATOM 784 CB GLU A 51 10.522 -2.163 4.809 1.00 0.00 C ATOM 785 CG GLU A 51 10.665 -0.672 4.557 1.00 0.00 C ATOM 786 CD GLU A 51 12.105 -0.253 4.332 1.00 0.00 C ATOM 787 OE1 GLU A 51 12.791 0.066 5.325 1.00 0.00 O ATOM 788 OE2 GLU A 51 12.545 -0.243 3.163 1.00 0.00 O ATOM 0 H GLU A 51 8.680 -2.200 2.919 1.00 0.00 H new ATOM 0 HA GLU A 51 11.520 -2.999 3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.596 -2.344 5.354 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.339 -2.495 5.450 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.070 -0.396 3.686 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.260 -0.123 5.407 1.00 0.00 H new ATOM 795 N GLY A 52 8.836 -4.721 3.852 1.00 0.00 N ATOM 796 CA GLY A 52 8.362 -6.060 4.149 1.00 0.00 C ATOM 797 C GLY A 52 7.552 -6.117 5.430 1.00 0.00 C ATOM 798 O GLY A 52 6.864 -5.165 5.798 1.00 0.00 O ATOM 0 H GLY A 52 8.103 -4.042 3.648 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.751 -6.418 3.320 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.215 -6.734 4.231 1.00 0.00 H new ATOM 802 N PRO A 53 7.628 -7.258 6.132 1.00 0.00 N ATOM 803 CA PRO A 53 6.902 -7.463 7.388 1.00 0.00 C ATOM 804 C PRO A 53 7.458 -6.612 8.525 1.00 0.00 C ATOM 805 O PRO A 53 8.672 -6.449 8.655 1.00 0.00 O ATOM 806 CB PRO A 53 7.114 -8.951 7.681 1.00 0.00 C ATOM 807 CG PRO A 53 8.384 -9.297 6.983 1.00 0.00 C ATOM 808 CD PRO A 53 8.428 -8.434 5.753 1.00 0.00 C ATOM 0 HA PRO A 53 5.854 -7.176 7.304 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.188 -9.137 8.752 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.282 -9.550 7.310 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.245 -9.108 7.624 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.409 -10.354 6.719 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.450 -8.158 5.492 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.006 -8.945 4.888 1.00 0.00 H new ATOM 816 N CYS A 54 6.564 -6.072 9.345 1.00 0.00 N ATOM 817 CA CYS A 54 6.966 -5.237 10.472 1.00 0.00 C ATOM 818 C CYS A 54 8.080 -5.903 11.272 1.00 0.00 C ATOM 819 O CYS A 54 7.840 -6.850 12.020 1.00 0.00 O ATOM 820 CB CYS A 54 5.767 -4.957 11.379 1.00 0.00 C ATOM 821 SG CYS A 54 6.196 -4.159 12.944 1.00 0.00 S ATOM 0 H CYS A 54 5.556 -6.197 9.251 1.00 0.00 H new ATOM 0 HA CYS A 54 7.342 -4.293 10.077 1.00 0.00 H new ATOM 0 HB2 CYS A 54 5.059 -4.325 10.843 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.258 -5.897 11.590 1.00 0.00 H new ATOM 0 HG CYS A 54 5.206 -3.413 13.336 1.00 0.00 H new ATOM 827 N ASN A 55 9.300 -5.402 11.108 1.00 0.00 N ATOM 828 CA ASN A 55 10.453 -5.950 11.814 1.00 0.00 C ATOM 829 C ASN A 55 11.074 -4.904 12.735 1.00 0.00 C ATOM 830 O ASN A 55 12.229 -5.028 13.141 1.00 0.00 O ATOM 831 CB ASN A 55 11.498 -6.451 10.815 1.00 0.00 C ATOM 832 CG ASN A 55 12.146 -5.320 10.040 1.00 0.00 C ATOM 833 OD1 ASN A 55 13.262 -4.902 10.347 1.00 0.00 O ATOM 834 ND2 ASN A 55 11.446 -4.819 9.029 1.00 0.00 N ATOM 0 H ASN A 55 9.516 -4.618 10.493 1.00 0.00 H new ATOM 0 HA ASN A 55 10.111 -6.787 12.422 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.267 -7.010 11.348 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.027 -7.143 10.117 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.830 -4.056 8.471 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.524 -5.197 8.810 1.00 0.00 H new ATOM 841 N MET A 56 10.299 -3.875 13.061 1.00 0.00 N ATOM 842 CA MET A 56 10.773 -2.809 13.935 1.00 0.00 C ATOM 843 C MET A 56 10.300 -3.031 15.369 1.00 0.00 C ATOM 844 O MET A 56 9.282 -3.677 15.619 1.00 0.00 O ATOM 845 CB MET A 56 10.284 -1.450 13.430 1.00 0.00 C ATOM 846 CG MET A 56 8.825 -1.448 13.006 1.00 0.00 C ATOM 847 SD MET A 56 8.173 0.216 12.765 1.00 0.00 S ATOM 848 CE MET A 56 8.636 0.988 14.313 1.00 0.00 C ATOM 0 H MET A 56 9.340 -3.757 12.733 1.00 0.00 H new ATOM 0 HA MET A 56 11.863 -2.822 13.924 1.00 0.00 H new ATOM 0 HB2 MET A 56 10.427 -0.707 14.215 1.00 0.00 H new ATOM 0 HB3 MET A 56 10.900 -1.143 12.585 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.719 -2.013 12.080 1.00 0.00 H new ATOM 0 HG3 MET A 56 8.230 -1.961 13.762 1.00 0.00 H new ATOM 0 HE1 MET A 56 7.911 1.762 14.565 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.655 0.237 15.103 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.625 1.436 14.215 1.00 0.00 H new ATOM 858 N PRO A 57 11.054 -2.484 16.333 1.00 0.00 N ATOM 859 CA PRO A 57 10.731 -2.609 17.758 1.00 0.00 C ATOM 860 C PRO A 57 9.488 -1.813 18.142 1.00 0.00 C ATOM 861 O PRO A 57 9.357 -0.640 17.793 1.00 0.00 O ATOM 862 CB PRO A 57 11.968 -2.038 18.454 1.00 0.00 C ATOM 863 CG PRO A 57 12.566 -1.104 17.459 1.00 0.00 C ATOM 864 CD PRO A 57 12.280 -1.701 16.108 1.00 0.00 C ATOM 0 HA PRO A 57 10.506 -3.639 18.036 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.700 -1.518 19.374 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.668 -2.827 18.727 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.130 -0.109 17.546 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.639 -0.997 17.619 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.131 -0.930 15.352 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.101 -2.330 15.765 1.00 0.00 H new ATOM 872 N LYS A 58 8.578 -2.458 18.864 1.00 0.00 N ATOM 873 CA LYS A 58 7.346 -1.810 19.299 1.00 0.00 C ATOM 874 C LYS A 58 7.648 -0.602 20.179 1.00 0.00 C ATOM 875 O LYS A 58 8.360 -0.695 21.179 1.00 0.00 O ATOM 876 CB LYS A 58 6.465 -2.803 20.060 1.00 0.00 C ATOM 877 CG LYS A 58 4.999 -2.406 20.104 1.00 0.00 C ATOM 878 CD LYS A 58 4.091 -3.624 20.102 1.00 0.00 C ATOM 879 CE LYS A 58 3.729 -4.052 21.516 1.00 0.00 C ATOM 880 NZ LYS A 58 4.888 -4.658 22.227 1.00 0.00 N ATOM 0 H LYS A 58 8.670 -3.430 19.160 1.00 0.00 H new ATOM 0 HA LYS A 58 6.813 -1.466 18.413 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.553 -3.785 19.595 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.838 -2.899 21.080 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.809 -1.811 20.997 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.766 -1.776 19.246 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.182 -3.400 19.544 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.586 -4.447 19.587 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.371 -3.188 22.076 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.910 -4.770 21.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.552 -5.161 23.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.371 -5.328 21.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.552 -3.909 22.510 1.00 0.00 H new ATOM 894 N PRO A 59 7.093 0.559 19.803 1.00 0.00 N ATOM 895 CA PRO A 59 7.287 1.808 20.547 1.00 0.00 C ATOM 896 C PRO A 59 6.578 1.794 21.897 1.00 0.00 C ATOM 897 O PRO A 59 5.855 0.853 22.220 1.00 0.00 O ATOM 898 CB PRO A 59 6.670 2.867 19.630 1.00 0.00 C ATOM 899 CG PRO A 59 5.668 2.124 18.814 1.00 0.00 C ATOM 900 CD PRO A 59 6.232 0.743 18.622 1.00 0.00 C ATOM 0 HA PRO A 59 8.337 1.985 20.779 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.199 3.664 20.206 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.426 3.334 18.999 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.704 2.085 19.321 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.504 2.615 17.855 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.445 -0.010 18.577 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.800 0.666 17.695 1.00 0.00 H new ATOM 908 N GLY A 60 6.791 2.846 22.682 1.00 0.00 N ATOM 909 CA GLY A 60 6.165 2.935 23.989 1.00 0.00 C ATOM 910 C GLY A 60 4.816 3.625 23.940 1.00 0.00 C ATOM 911 O GLY A 60 4.587 4.497 23.101 1.00 0.00 O ATOM 0 H GLY A 60 7.385 3.638 22.437 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.042 1.932 24.399 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.823 3.478 24.667 1.00 0.00 H new ATOM 915 N VAL A 61 3.920 3.235 24.840 1.00 0.00 N ATOM 916 CA VAL A 61 2.586 3.822 24.896 1.00 0.00 C ATOM 917 C VAL A 61 2.646 5.337 24.739 1.00 0.00 C ATOM 918 O VAL A 61 1.969 5.911 23.887 1.00 0.00 O ATOM 919 CB VAL A 61 1.878 3.481 26.221 1.00 0.00 C ATOM 920 CG1 VAL A 61 1.454 2.021 26.240 1.00 0.00 C ATOM 921 CG2 VAL A 61 2.781 3.798 27.404 1.00 0.00 C ATOM 0 H VAL A 61 4.093 2.515 25.541 1.00 0.00 H new ATOM 0 HA VAL A 61 2.017 3.396 24.069 1.00 0.00 H new ATOM 0 HB VAL A 61 0.981 4.095 26.302 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.956 1.799 27.184 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.769 1.830 25.414 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.333 1.385 26.136 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.265 3.551 28.332 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.696 3.211 27.330 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.029 4.859 27.398 1.00 0.00 H new ATOM 931 N PHE A 62 3.462 5.980 25.568 1.00 0.00 N ATOM 932 CA PHE A 62 3.611 7.430 25.522 1.00 0.00 C ATOM 933 C PHE A 62 3.759 7.917 24.083 1.00 0.00 C ATOM 934 O PHE A 62 3.304 9.006 23.734 1.00 0.00 O ATOM 935 CB PHE A 62 4.823 7.866 26.347 1.00 0.00 C ATOM 936 CG PHE A 62 4.996 7.085 27.618 1.00 0.00 C ATOM 937 CD1 PHE A 62 3.908 6.810 28.430 1.00 0.00 C ATOM 938 CD2 PHE A 62 6.246 6.626 28.000 1.00 0.00 C ATOM 939 CE1 PHE A 62 4.064 6.092 29.601 1.00 0.00 C ATOM 940 CE2 PHE A 62 6.408 5.907 29.170 1.00 0.00 C ATOM 941 CZ PHE A 62 5.315 5.638 29.970 1.00 0.00 C ATOM 0 H PHE A 62 4.030 5.520 26.279 1.00 0.00 H new ATOM 0 HA PHE A 62 2.712 7.876 25.947 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.722 7.761 25.740 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.725 8.924 26.591 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.927 7.160 28.145 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.104 6.832 27.377 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.208 5.886 30.227 1.00 0.00 H new ATOM 0 HE2 PHE A 62 7.388 5.556 29.458 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.438 5.074 30.883 1.00 0.00 H new ATOM 951 N ASP A 63 4.400 7.101 23.253 1.00 0.00 N ATOM 952 CA ASP A 63 4.609 7.447 21.851 1.00 0.00 C ATOM 953 C ASP A 63 3.422 7.006 21.000 1.00 0.00 C ATOM 954 O ASP A 63 3.594 6.492 19.895 1.00 0.00 O ATOM 955 CB ASP A 63 5.893 6.801 21.330 1.00 0.00 C ATOM 956 CG ASP A 63 7.115 7.665 21.572 1.00 0.00 C ATOM 957 OD1 ASP A 63 7.116 8.830 21.122 1.00 0.00 O ATOM 958 OD2 ASP A 63 8.071 7.176 22.211 1.00 0.00 O ATOM 0 H ASP A 63 4.784 6.196 23.526 1.00 0.00 H new ATOM 0 HA ASP A 63 4.702 8.531 21.780 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.033 5.835 21.815 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.793 6.610 20.262 1.00 0.00 H new ATOM 963 N LEU A 64 2.217 7.210 21.523 1.00 0.00 N ATOM 964 CA LEU A 64 1.001 6.833 20.812 1.00 0.00 C ATOM 965 C LEU A 64 1.160 7.045 19.310 1.00 0.00 C ATOM 966 O LEU A 64 0.669 6.252 18.506 1.00 0.00 O ATOM 967 CB LEU A 64 -0.188 7.645 21.330 1.00 0.00 C ATOM 968 CG LEU A 64 -0.413 7.616 22.842 1.00 0.00 C ATOM 969 CD1 LEU A 64 -1.482 8.621 23.242 1.00 0.00 C ATOM 970 CD2 LEU A 64 -0.798 6.216 23.297 1.00 0.00 C ATOM 0 H LEU A 64 2.057 7.634 22.437 1.00 0.00 H new ATOM 0 HA LEU A 64 0.817 5.774 20.993 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.055 8.682 21.022 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.092 7.281 20.841 1.00 0.00 H new ATOM 0 HG LEU A 64 0.519 7.893 23.334 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.629 8.586 24.322 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.167 9.623 22.951 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.418 8.375 22.741 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.954 6.214 24.376 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.717 5.911 22.797 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.001 5.519 23.045 1.00 0.00 H new ATOM 982 N ILE A 65 1.851 8.118 18.939 1.00 0.00 N ATOM 983 CA ILE A 65 2.078 8.431 17.534 1.00 0.00 C ATOM 984 C ILE A 65 2.669 7.237 16.792 1.00 0.00 C ATOM 985 O ILE A 65 2.077 6.728 15.842 1.00 0.00 O ATOM 986 CB ILE A 65 3.019 9.640 17.371 1.00 0.00 C ATOM 987 CG1 ILE A 65 2.462 10.852 18.120 1.00 0.00 C ATOM 988 CG2 ILE A 65 3.215 9.964 15.898 1.00 0.00 C ATOM 989 CD1 ILE A 65 1.176 11.387 17.531 1.00 0.00 C ATOM 0 H ILE A 65 2.263 8.785 19.592 1.00 0.00 H new ATOM 0 HA ILE A 65 1.106 8.677 17.105 1.00 0.00 H new ATOM 0 HB ILE A 65 3.989 9.387 17.799 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.289 10.578 19.161 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.210 11.645 18.119 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.882 10.820 15.799 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.652 9.104 15.391 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.252 10.201 15.446 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.839 12.245 18.112 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.348 11.693 16.499 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.413 10.609 17.557 1.00 0.00 H new ATOM 1001 N ASN A 66 3.841 6.794 17.236 1.00 0.00 N ATOM 1002 CA ASN A 66 4.513 5.658 16.615 1.00 0.00 C ATOM 1003 C ASN A 66 3.687 4.385 16.773 1.00 0.00 C ATOM 1004 O ASN A 66 3.475 3.645 15.811 1.00 0.00 O ATOM 1005 CB ASN A 66 5.899 5.459 17.232 1.00 0.00 C ATOM 1006 CG ASN A 66 6.918 6.444 16.693 1.00 0.00 C ATOM 1007 OD1 ASN A 66 7.746 6.099 15.850 1.00 0.00 O ATOM 1008 ND2 ASN A 66 6.861 7.679 17.178 1.00 0.00 N ATOM 0 H ASN A 66 4.345 7.204 18.023 1.00 0.00 H new ATOM 0 HA ASN A 66 4.623 5.870 15.551 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.831 5.567 18.315 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.240 4.443 17.034 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.521 8.386 16.852 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.158 7.921 17.876 1.00 0.00 H new ATOM 1015 N LYS A 67 3.221 4.135 17.992 1.00 0.00 N ATOM 1016 CA LYS A 67 2.416 2.953 18.277 1.00 0.00 C ATOM 1017 C LYS A 67 1.268 2.823 17.281 1.00 0.00 C ATOM 1018 O LYS A 67 0.929 1.721 16.851 1.00 0.00 O ATOM 1019 CB LYS A 67 1.863 3.020 19.703 1.00 0.00 C ATOM 1020 CG LYS A 67 1.454 1.667 20.260 1.00 0.00 C ATOM 1021 CD LYS A 67 2.663 0.789 20.535 1.00 0.00 C ATOM 1022 CE LYS A 67 2.313 -0.370 21.456 1.00 0.00 C ATOM 1023 NZ LYS A 67 1.507 -1.410 20.758 1.00 0.00 N ATOM 0 H LYS A 67 3.387 4.736 18.799 1.00 0.00 H new ATOM 0 HA LYS A 67 3.056 2.076 18.182 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.617 3.460 20.356 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.000 3.686 19.718 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.888 1.808 21.181 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.793 1.166 19.553 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.054 0.402 19.594 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.454 1.388 20.987 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.229 -0.818 21.840 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.757 0.004 22.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.461 -2.266 21.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.545 -1.051 20.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.951 -1.640 19.846 1.00 0.00 H new ATOM 1037 N ALA A 68 0.676 3.956 16.917 1.00 0.00 N ATOM 1038 CA ALA A 68 -0.431 3.968 15.969 1.00 0.00 C ATOM 1039 C ALA A 68 -0.037 3.301 14.656 1.00 0.00 C ATOM 1040 O ALA A 68 -0.779 2.480 14.117 1.00 0.00 O ATOM 1041 CB ALA A 68 -0.897 5.395 15.720 1.00 0.00 C ATOM 0 H ALA A 68 0.944 4.877 17.264 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.254 3.399 16.402 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.724 5.389 15.010 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.228 5.839 16.659 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.073 5.981 15.312 1.00 0.00 H new ATOM 1047 N LYS A 69 1.136 3.660 14.145 1.00 0.00 N ATOM 1048 CA LYS A 69 1.631 3.096 12.894 1.00 0.00 C ATOM 1049 C LYS A 69 2.026 1.634 13.075 1.00 0.00 C ATOM 1050 O LYS A 69 1.626 0.772 12.292 1.00 0.00 O ATOM 1051 CB LYS A 69 2.831 3.900 12.388 1.00 0.00 C ATOM 1052 CG LYS A 69 2.449 5.050 11.471 1.00 0.00 C ATOM 1053 CD LYS A 69 2.141 6.312 12.259 1.00 0.00 C ATOM 1054 CE LYS A 69 1.587 7.408 11.361 1.00 0.00 C ATOM 1055 NZ LYS A 69 2.670 8.252 10.783 1.00 0.00 N ATOM 0 H LYS A 69 1.762 4.339 14.578 1.00 0.00 H new ATOM 0 HA LYS A 69 0.829 3.149 12.158 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.380 4.295 13.243 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.508 3.231 11.856 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.263 5.245 10.773 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.579 4.769 10.877 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.420 6.085 13.045 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.047 6.666 12.750 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.007 6.958 10.555 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.904 8.036 11.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.252 8.987 10.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.208 8.701 11.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.308 7.658 10.216 1.00 0.00 H new ATOM 1069 N TRP A 70 2.810 1.362 14.112 1.00 0.00 N ATOM 1070 CA TRP A 70 3.257 0.003 14.395 1.00 0.00 C ATOM 1071 C TRP A 70 2.096 -0.982 14.308 1.00 0.00 C ATOM 1072 O TRP A 70 2.223 -2.055 13.718 1.00 0.00 O ATOM 1073 CB TRP A 70 3.897 -0.067 15.783 1.00 0.00 C ATOM 1074 CG TRP A 70 4.764 -1.273 15.977 1.00 0.00 C ATOM 1075 CD1 TRP A 70 6.093 -1.384 15.681 1.00 0.00 C ATOM 1076 CD2 TRP A 70 4.363 -2.540 16.510 1.00 0.00 C ATOM 1077 NE1 TRP A 70 6.542 -2.644 15.997 1.00 0.00 N ATOM 1078 CE2 TRP A 70 5.500 -3.372 16.508 1.00 0.00 C ATOM 1079 CE3 TRP A 70 3.155 -3.053 16.990 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 5.462 -4.686 16.966 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 3.118 -4.357 17.444 1.00 0.00 C ATOM 1082 CH2 TRP A 70 4.266 -5.162 17.431 1.00 0.00 C ATOM 0 H TRP A 70 3.149 2.064 14.770 1.00 0.00 H new ATOM 0 HA TRP A 70 3.999 -0.272 13.645 1.00 0.00 H new ATOM 0 HB2 TRP A 70 4.494 0.831 15.946 1.00 0.00 H new ATOM 0 HB3 TRP A 70 3.111 -0.068 16.538 1.00 0.00 H new ATOM 0 HD1 TRP A 70 6.702 -0.597 15.260 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.496 -2.982 15.871 1.00 0.00 H new ATOM 0 HE3 TRP A 70 2.266 -2.440 17.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 6.345 -5.308 16.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 2.189 -4.764 17.815 1.00 0.00 H new ATOM 0 HH2 TRP A 70 4.205 -6.177 17.795 1.00 0.00 H new ATOM 1093 N ASP A 71 0.965 -0.610 14.898 1.00 0.00 N ATOM 1094 CA ASP A 71 -0.220 -1.461 14.885 1.00 0.00 C ATOM 1095 C ASP A 71 -0.744 -1.640 13.464 1.00 0.00 C ATOM 1096 O ASP A 71 -1.344 -2.664 13.138 1.00 0.00 O ATOM 1097 CB ASP A 71 -1.312 -0.863 15.774 1.00 0.00 C ATOM 1098 CG ASP A 71 -1.141 -1.238 17.233 1.00 0.00 C ATOM 1099 OD1 ASP A 71 -0.249 -0.665 17.891 1.00 0.00 O ATOM 1100 OD2 ASP A 71 -1.899 -2.106 17.715 1.00 0.00 O ATOM 0 H ASP A 71 0.844 0.275 15.391 1.00 0.00 H new ATOM 0 HA ASP A 71 0.060 -2.439 15.275 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.301 0.223 15.677 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.287 -1.204 15.426 1.00 0.00 H new ATOM 1105 N ALA A 72 -0.514 -0.638 12.623 1.00 0.00 N ATOM 1106 CA ALA A 72 -0.963 -0.685 11.237 1.00 0.00 C ATOM 1107 C ALA A 72 -0.067 -1.593 10.401 1.00 0.00 C ATOM 1108 O ALA A 72 -0.544 -2.520 9.746 1.00 0.00 O ATOM 1109 CB ALA A 72 -0.998 0.716 10.645 1.00 0.00 C ATOM 0 H ALA A 72 -0.019 0.217 12.877 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.971 -1.099 11.221 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.335 0.665 9.610 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.685 1.337 11.220 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.001 1.151 10.680 1.00 0.00 H new ATOM 1115 N TRP A 73 1.233 -1.320 10.427 1.00 0.00 N ATOM 1116 CA TRP A 73 2.196 -2.112 9.670 1.00 0.00 C ATOM 1117 C TRP A 73 2.335 -3.510 10.262 1.00 0.00 C ATOM 1118 O TRP A 73 2.626 -4.469 9.550 1.00 0.00 O ATOM 1119 CB TRP A 73 3.557 -1.415 9.650 1.00 0.00 C ATOM 1120 CG TRP A 73 4.569 -2.113 8.793 1.00 0.00 C ATOM 1121 CD1 TRP A 73 4.327 -3.087 7.867 1.00 0.00 C ATOM 1122 CD2 TRP A 73 5.984 -1.892 8.786 1.00 0.00 C ATOM 1123 NE1 TRP A 73 5.506 -3.484 7.284 1.00 0.00 N ATOM 1124 CE2 TRP A 73 6.536 -2.766 7.829 1.00 0.00 C ATOM 1125 CE3 TRP A 73 6.837 -1.040 9.492 1.00 0.00 C ATOM 1126 CZ2 TRP A 73 7.903 -2.811 7.564 1.00 0.00 C ATOM 1127 CZ3 TRP A 73 8.192 -1.086 9.228 1.00 0.00 C ATOM 1128 CH2 TRP A 73 8.715 -1.966 8.270 1.00 0.00 C ATOM 0 H TRP A 73 1.644 -0.556 10.964 1.00 0.00 H new ATOM 0 HA TRP A 73 1.829 -2.205 8.648 1.00 0.00 H new ATOM 0 HB2 TRP A 73 3.429 -0.394 9.290 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.938 -1.349 10.669 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.352 -3.486 7.628 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.599 -4.198 6.562 1.00 0.00 H new ATOM 0 HE3 TRP A 73 6.444 -0.358 10.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.308 -3.489 6.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 8.860 -0.433 9.769 1.00 0.00 H new ATOM 0 HH2 TRP A 73 9.779 -1.977 8.086 1.00 0.00 H new ATOM 1139 N ASN A 74 2.125 -3.618 11.571 1.00 0.00 N ATOM 1140 CA ASN A 74 2.228 -4.900 12.258 1.00 0.00 C ATOM 1141 C ASN A 74 1.046 -5.800 11.911 1.00 0.00 C ATOM 1142 O ASN A 74 1.203 -7.008 11.739 1.00 0.00 O ATOM 1143 CB ASN A 74 2.294 -4.687 13.772 1.00 0.00 C ATOM 1144 CG ASN A 74 2.256 -5.992 14.542 1.00 0.00 C ATOM 1145 OD1 ASN A 74 2.921 -6.961 14.176 1.00 0.00 O ATOM 1146 ND2 ASN A 74 1.474 -6.024 15.615 1.00 0.00 N ATOM 0 H ASN A 74 1.883 -2.833 12.176 1.00 0.00 H new ATOM 0 HA ASN A 74 3.144 -5.389 11.926 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.208 -4.148 14.021 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.459 -4.060 14.085 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.407 -6.876 16.172 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.940 -5.197 15.882 1.00 0.00 H new ATOM 1153 N ALA A 75 -0.136 -5.201 11.809 1.00 0.00 N ATOM 1154 CA ALA A 75 -1.344 -5.948 11.480 1.00 0.00 C ATOM 1155 C ALA A 75 -1.170 -6.729 10.182 1.00 0.00 C ATOM 1156 O ALA A 75 -1.968 -7.612 9.865 1.00 0.00 O ATOM 1157 CB ALA A 75 -2.534 -5.006 11.376 1.00 0.00 C ATOM 0 H ALA A 75 -0.283 -4.201 11.949 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.529 -6.663 12.281 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.429 -5.577 11.130 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.679 -4.496 12.329 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.347 -4.269 10.595 1.00 0.00 H new ATOM 1163 N LEU A 76 -0.124 -6.397 9.433 1.00 0.00 N ATOM 1164 CA LEU A 76 0.154 -7.068 8.168 1.00 0.00 C ATOM 1165 C LEU A 76 0.825 -8.417 8.402 1.00 0.00 C ATOM 1166 O LEU A 76 0.490 -9.409 7.756 1.00 0.00 O ATOM 1167 CB LEU A 76 1.045 -6.189 7.287 1.00 0.00 C ATOM 1168 CG LEU A 76 0.323 -5.152 6.425 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.362 -5.824 5.245 1.00 0.00 C ATOM 1170 CD2 LEU A 76 -0.685 -4.375 7.259 1.00 0.00 C ATOM 0 H LEU A 76 0.545 -5.668 9.680 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.795 -7.239 7.660 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.755 -5.668 7.929 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.625 -6.837 6.630 1.00 0.00 H new ATOM 0 HG LEU A 76 1.062 -4.450 6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.871 -5.071 4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.383 -6.335 4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.090 -6.548 5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.189 -3.642 6.630 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.421 -5.063 7.675 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.168 -3.863 8.070 1.00 0.00 H new ATOM 1182 N GLY A 77 1.774 -8.447 9.333 1.00 0.00 N ATOM 1183 CA GLY A 77 2.476 -9.680 9.638 1.00 0.00 C ATOM 1184 C GLY A 77 3.459 -10.071 8.553 1.00 0.00 C ATOM 1185 O GLY A 77 4.190 -9.227 8.035 1.00 0.00 O ATOM 0 H GLY A 77 2.069 -7.639 9.881 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.008 -9.567 10.583 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.751 -10.483 9.774 1.00 0.00 H new ATOM 1189 N SER A 78 3.479 -11.355 8.210 1.00 0.00 N ATOM 1190 CA SER A 78 4.385 -11.858 7.183 1.00 0.00 C ATOM 1191 C SER A 78 3.792 -11.659 5.792 1.00 0.00 C ATOM 1192 O SER A 78 3.943 -12.509 4.913 1.00 0.00 O ATOM 1193 CB SER A 78 4.682 -13.341 7.417 1.00 0.00 C ATOM 1194 OG SER A 78 5.832 -13.750 6.697 1.00 0.00 O ATOM 0 H SER A 78 2.879 -12.066 8.628 1.00 0.00 H new ATOM 0 HA SER A 78 5.316 -11.295 7.246 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.832 -13.522 8.481 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.825 -13.940 7.110 1.00 0.00 H new ATOM 0 HG SER A 78 5.711 -13.548 5.746 1.00 0.00 H new ATOM 1200 N LEU A 79 3.117 -10.531 5.599 1.00 0.00 N ATOM 1201 CA LEU A 79 2.500 -10.219 4.314 1.00 0.00 C ATOM 1202 C LEU A 79 3.559 -9.878 3.271 1.00 0.00 C ATOM 1203 O LEU A 79 4.380 -8.979 3.454 1.00 0.00 O ATOM 1204 CB LEU A 79 1.523 -9.052 4.466 1.00 0.00 C ATOM 1205 CG LEU A 79 0.525 -8.860 3.323 1.00 0.00 C ATOM 1206 CD1 LEU A 79 1.252 -8.526 2.030 1.00 0.00 C ATOM 1207 CD2 LEU A 79 -0.333 -10.104 3.149 1.00 0.00 C ATOM 0 H LEU A 79 2.983 -9.817 6.315 1.00 0.00 H new ATOM 0 HA LEU A 79 1.954 -11.100 3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.963 -9.191 5.391 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.099 -8.134 4.577 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.129 -8.025 3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.526 -8.393 1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.822 -7.606 2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.931 -9.340 1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.037 -9.949 2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.306 -10.957 2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.883 -10.298 4.070 1.00 0.00 H new ATOM 1219 N PRO A 80 3.540 -10.610 2.147 1.00 0.00 N ATOM 1220 CA PRO A 80 4.491 -10.401 1.050 1.00 0.00 C ATOM 1221 C PRO A 80 4.248 -9.088 0.315 1.00 0.00 C ATOM 1222 O PRO A 80 3.104 -8.673 0.124 1.00 0.00 O ATOM 1223 CB PRO A 80 4.228 -11.590 0.123 1.00 0.00 C ATOM 1224 CG PRO A 80 2.819 -11.985 0.402 1.00 0.00 C ATOM 1225 CD PRO A 80 2.590 -11.698 1.861 1.00 0.00 C ATOM 0 HA PRO A 80 5.519 -10.340 1.407 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.362 -11.313 -0.923 1.00 0.00 H new ATOM 0 HB3 PRO A 80 4.917 -12.410 0.326 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.125 -11.420 -0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.659 -13.040 0.182 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.561 -11.394 2.054 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.785 -12.575 2.479 1.00 0.00 H new ATOM 1233 N LYS A 81 5.330 -8.437 -0.097 1.00 0.00 N ATOM 1234 CA LYS A 81 5.236 -7.170 -0.813 1.00 0.00 C ATOM 1235 C LYS A 81 4.213 -7.259 -1.942 1.00 0.00 C ATOM 1236 O LYS A 81 3.401 -6.353 -2.128 1.00 0.00 O ATOM 1237 CB LYS A 81 6.602 -6.777 -1.378 1.00 0.00 C ATOM 1238 CG LYS A 81 7.621 -6.416 -0.311 1.00 0.00 C ATOM 1239 CD LYS A 81 9.043 -6.626 -0.804 1.00 0.00 C ATOM 1240 CE LYS A 81 10.058 -6.377 0.301 1.00 0.00 C ATOM 1241 NZ LYS A 81 11.396 -6.935 -0.039 1.00 0.00 N ATOM 0 H LYS A 81 6.284 -8.766 0.053 1.00 0.00 H new ATOM 0 HA LYS A 81 4.909 -6.406 -0.108 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.990 -7.603 -1.975 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.477 -5.929 -2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.487 -5.375 -0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.450 -7.024 0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.153 -7.644 -1.178 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.242 -5.956 -1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.146 -5.305 0.479 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.702 -6.826 1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.059 -6.745 0.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.317 -7.962 -0.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.747 -6.489 -0.910 1.00 0.00 H new ATOM 1255 N GLU A 82 4.259 -8.356 -2.691 1.00 0.00 N ATOM 1256 CA GLU A 82 3.336 -8.562 -3.801 1.00 0.00 C ATOM 1257 C GLU A 82 1.909 -8.206 -3.394 1.00 0.00 C ATOM 1258 O GLU A 82 1.248 -7.400 -4.049 1.00 0.00 O ATOM 1259 CB GLU A 82 3.394 -10.014 -4.279 1.00 0.00 C ATOM 1260 CG GLU A 82 4.760 -10.429 -4.800 1.00 0.00 C ATOM 1261 CD GLU A 82 4.809 -11.888 -5.210 1.00 0.00 C ATOM 1262 OE1 GLU A 82 3.817 -12.375 -5.791 1.00 0.00 O ATOM 1263 OE2 GLU A 82 5.840 -12.543 -4.949 1.00 0.00 O ATOM 0 H GLU A 82 4.925 -9.115 -2.550 1.00 0.00 H new ATOM 0 HA GLU A 82 3.638 -7.906 -4.618 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.114 -10.670 -3.455 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.655 -10.158 -5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.023 -9.806 -5.655 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.509 -10.246 -4.030 1.00 0.00 H new ATOM 1270 N ALA A 83 1.440 -8.813 -2.309 1.00 0.00 N ATOM 1271 CA ALA A 83 0.092 -8.560 -1.814 1.00 0.00 C ATOM 1272 C ALA A 83 -0.032 -7.145 -1.260 1.00 0.00 C ATOM 1273 O ALA A 83 -1.050 -6.480 -1.451 1.00 0.00 O ATOM 1274 CB ALA A 83 -0.279 -9.580 -0.748 1.00 0.00 C ATOM 0 H ALA A 83 1.973 -9.484 -1.756 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.600 -8.657 -2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.288 -9.379 -0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.239 -10.582 -1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.424 -9.510 0.082 1.00 0.00 H new ATOM 1280 N ALA A 84 1.011 -6.690 -0.573 1.00 0.00 N ATOM 1281 CA ALA A 84 1.018 -5.353 0.008 1.00 0.00 C ATOM 1282 C ALA A 84 0.626 -4.303 -1.026 1.00 0.00 C ATOM 1283 O ALA A 84 -0.312 -3.534 -0.819 1.00 0.00 O ATOM 1284 CB ALA A 84 2.389 -5.037 0.589 1.00 0.00 C ATOM 0 H ALA A 84 1.862 -7.227 -0.405 1.00 0.00 H new ATOM 0 HA ALA A 84 0.281 -5.329 0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.380 -4.036 1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.632 -5.763 1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.139 -5.086 -0.201 1.00 0.00 H new ATOM 1290 N ARG A 85 1.351 -4.276 -2.140 1.00 0.00 N ATOM 1291 CA ARG A 85 1.080 -3.319 -3.206 1.00 0.00 C ATOM 1292 C ARG A 85 -0.364 -3.435 -3.686 1.00 0.00 C ATOM 1293 O ARG A 85 -1.006 -2.433 -3.997 1.00 0.00 O ATOM 1294 CB ARG A 85 2.038 -3.543 -4.377 1.00 0.00 C ATOM 1295 CG ARG A 85 3.485 -3.209 -4.052 1.00 0.00 C ATOM 1296 CD ARG A 85 4.319 -3.058 -5.315 1.00 0.00 C ATOM 1297 NE ARG A 85 4.865 -4.335 -5.767 1.00 0.00 N ATOM 1298 CZ ARG A 85 5.978 -4.871 -5.280 1.00 0.00 C ATOM 1299 NH1 ARG A 85 6.660 -4.245 -4.331 1.00 0.00 N ATOM 1300 NH2 ARG A 85 6.411 -6.037 -5.742 1.00 0.00 N ATOM 0 H ARG A 85 2.131 -4.906 -2.328 1.00 0.00 H new ATOM 0 HA ARG A 85 1.233 -2.316 -2.808 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.976 -4.585 -4.692 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.714 -2.935 -5.222 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.526 -2.285 -3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.909 -3.994 -3.426 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.705 -2.626 -6.105 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.136 -2.360 -5.129 1.00 0.00 H new ATOM 0 HE ARG A 85 4.364 -4.843 -6.496 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.330 -3.349 -3.973 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.515 -4.660 -3.959 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.889 -6.522 -6.472 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.266 -6.448 -5.368 1.00 0.00 H new ATOM 1314 N GLN A 86 -0.865 -4.665 -3.745 1.00 0.00 N ATOM 1315 CA GLN A 86 -2.232 -4.911 -4.189 1.00 0.00 C ATOM 1316 C GLN A 86 -3.238 -4.314 -3.211 1.00 0.00 C ATOM 1317 O GLN A 86 -4.274 -3.787 -3.616 1.00 0.00 O ATOM 1318 CB GLN A 86 -2.479 -6.414 -4.338 1.00 0.00 C ATOM 1319 CG GLN A 86 -3.531 -6.756 -5.381 1.00 0.00 C ATOM 1320 CD GLN A 86 -4.829 -6.003 -5.170 1.00 0.00 C ATOM 1321 OE1 GLN A 86 -5.387 -6.000 -4.072 1.00 0.00 O ATOM 1322 NE2 GLN A 86 -5.318 -5.359 -6.223 1.00 0.00 N ATOM 0 H GLN A 86 -0.346 -5.505 -3.491 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.365 -4.429 -5.158 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.542 -6.903 -4.605 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.788 -6.820 -3.375 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.141 -6.529 -6.373 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.729 -7.828 -5.354 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.822 -5.388 -7.114 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.189 -4.835 -6.141 1.00 0.00 H new ATOM 1331 N ASN A 87 -2.926 -4.400 -1.922 1.00 0.00 N ATOM 1332 CA ASN A 87 -3.804 -3.868 -0.886 1.00 0.00 C ATOM 1333 C ASN A 87 -3.796 -2.342 -0.897 1.00 0.00 C ATOM 1334 O ASN A 87 -4.835 -1.705 -0.722 1.00 0.00 O ATOM 1335 CB ASN A 87 -3.373 -4.381 0.490 1.00 0.00 C ATOM 1336 CG ASN A 87 -3.709 -5.846 0.692 1.00 0.00 C ATOM 1337 OD1 ASN A 87 -4.859 -6.200 0.951 1.00 0.00 O ATOM 1338 ND2 ASN A 87 -2.704 -6.705 0.574 1.00 0.00 N ATOM 0 H ASN A 87 -2.072 -4.833 -1.570 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.818 -4.210 -1.093 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.299 -4.238 0.608 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.861 -3.789 1.265 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.869 -7.704 0.699 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.766 -6.366 0.358 1.00 0.00 H new ATOM 1345 N TYR A 88 -2.619 -1.763 -1.105 1.00 0.00 N ATOM 1346 CA TYR A 88 -2.476 -0.313 -1.138 1.00 0.00 C ATOM 1347 C TYR A 88 -3.307 0.292 -2.265 1.00 0.00 C ATOM 1348 O TYR A 88 -4.140 1.169 -2.037 1.00 0.00 O ATOM 1349 CB TYR A 88 -1.005 0.072 -1.310 1.00 0.00 C ATOM 1350 CG TYR A 88 -0.754 1.560 -1.220 1.00 0.00 C ATOM 1351 CD1 TYR A 88 -1.173 2.418 -2.229 1.00 0.00 C ATOM 1352 CD2 TYR A 88 -0.098 2.108 -0.124 1.00 0.00 C ATOM 1353 CE1 TYR A 88 -0.944 3.778 -2.150 1.00 0.00 C ATOM 1354 CE2 TYR A 88 0.134 3.467 -0.036 1.00 0.00 C ATOM 1355 CZ TYR A 88 -0.291 4.298 -1.052 1.00 0.00 C ATOM 1356 OH TYR A 88 -0.063 5.653 -0.969 1.00 0.00 O ATOM 0 H TYR A 88 -1.750 -2.276 -1.253 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.840 0.084 -0.190 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.414 -0.434 -0.547 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.654 -0.289 -2.277 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.686 2.015 -3.090 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.236 1.460 0.673 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.275 4.431 -2.944 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.645 3.876 0.823 1.00 0.00 H new ATOM 0 HH TYR A 88 0.407 5.855 -0.133 1.00 0.00 H new ATOM 1366 N VAL A 89 -3.074 -0.184 -3.484 1.00 0.00 N ATOM 1367 CA VAL A 89 -3.801 0.306 -4.649 1.00 0.00 C ATOM 1368 C VAL A 89 -5.297 0.050 -4.511 1.00 0.00 C ATOM 1369 O VAL A 89 -6.116 0.922 -4.800 1.00 0.00 O ATOM 1370 CB VAL A 89 -3.296 -0.354 -5.945 1.00 0.00 C ATOM 1371 CG1 VAL A 89 -1.931 0.197 -6.330 1.00 0.00 C ATOM 1372 CG2 VAL A 89 -3.243 -1.866 -5.787 1.00 0.00 C ATOM 0 H VAL A 89 -2.387 -0.909 -3.690 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.623 1.380 -4.704 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.995 -0.119 -6.747 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.591 -0.282 -7.248 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.004 1.273 -6.487 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.218 -0.005 -5.530 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.884 -2.316 -6.712 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.566 -2.123 -4.972 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.241 -2.244 -5.563 1.00 0.00 H new ATOM 1382 N ASP A 90 -5.647 -1.152 -4.065 1.00 0.00 N ATOM 1383 CA ASP A 90 -7.046 -1.523 -3.886 1.00 0.00 C ATOM 1384 C ASP A 90 -7.799 -0.447 -3.111 1.00 0.00 C ATOM 1385 O ASP A 90 -8.971 -0.179 -3.379 1.00 0.00 O ATOM 1386 CB ASP A 90 -7.151 -2.863 -3.156 1.00 0.00 C ATOM 1387 CG ASP A 90 -8.587 -3.264 -2.885 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -9.354 -2.418 -2.379 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -8.945 -4.424 -3.179 1.00 0.00 O ATOM 0 H ASP A 90 -4.981 -1.885 -3.821 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.500 -1.619 -4.872 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.667 -3.637 -3.752 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.610 -2.802 -2.212 1.00 0.00 H new ATOM 1394 N LEU A 91 -7.120 0.167 -2.149 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.725 1.214 -1.333 1.00 0.00 C ATOM 1396 C LEU A 91 -7.914 2.493 -2.142 1.00 0.00 C ATOM 1397 O LEU A 91 -9.038 2.954 -2.341 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.857 1.497 -0.105 1.00 0.00 C ATOM 1399 CG LEU A 91 -7.411 2.520 0.887 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -7.398 3.914 0.280 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -8.820 2.136 1.317 1.00 0.00 C ATOM 0 H LEU A 91 -6.150 -0.042 -1.915 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.704 0.865 -1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.695 0.558 0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.881 1.843 -0.446 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.772 2.525 1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.796 4.628 1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.375 4.189 0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.014 3.925 -0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.199 2.875 2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.471 2.102 0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.801 1.156 1.793 1.00 0.00 H new ATOM 1413 N VAL A 92 -6.806 3.062 -2.607 1.00 0.00 N ATOM 1414 CA VAL A 92 -6.850 4.287 -3.398 1.00 0.00 C ATOM 1415 C VAL A 92 -7.970 4.235 -4.431 1.00 0.00 C ATOM 1416 O VAL A 92 -8.617 5.243 -4.711 1.00 0.00 O ATOM 1417 CB VAL A 92 -5.512 4.537 -4.119 1.00 0.00 C ATOM 1418 CG1 VAL A 92 -5.604 5.771 -5.003 1.00 0.00 C ATOM 1419 CG2 VAL A 92 -4.381 4.677 -3.111 1.00 0.00 C ATOM 0 H VAL A 92 -5.867 2.695 -2.450 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.039 5.106 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.297 3.679 -4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.649 5.932 -5.504 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.386 5.627 -5.749 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.843 6.640 -4.390 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.443 4.853 -3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.587 5.517 -2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.301 3.762 -2.524 1.00 0.00 H new ATOM 1429 N SER A 93 -8.193 3.052 -4.994 1.00 0.00 N ATOM 1430 CA SER A 93 -9.233 2.868 -6.000 1.00 0.00 C ATOM 1431 C SER A 93 -10.619 3.016 -5.380 1.00 0.00 C ATOM 1432 O SER A 93 -11.537 3.546 -6.006 1.00 0.00 O ATOM 1433 CB SER A 93 -9.100 1.493 -6.656 1.00 0.00 C ATOM 1434 OG SER A 93 -9.863 1.420 -7.848 1.00 0.00 O ATOM 0 H SER A 93 -7.668 2.207 -4.771 1.00 0.00 H new ATOM 0 HA SER A 93 -9.109 3.639 -6.761 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.052 1.293 -6.879 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.431 0.722 -5.961 1.00 0.00 H new ATOM 0 HG SER A 93 -9.760 0.532 -8.249 1.00 0.00 H new ATOM 1440 N SER A 94 -10.763 2.544 -4.146 1.00 0.00 N ATOM 1441 CA SER A 94 -12.037 2.620 -3.442 1.00 0.00 C ATOM 1442 C SER A 94 -12.452 4.072 -3.223 1.00 0.00 C ATOM 1443 O SER A 94 -13.633 4.413 -3.307 1.00 0.00 O ATOM 1444 CB SER A 94 -11.945 1.896 -2.097 1.00 0.00 C ATOM 1445 OG SER A 94 -11.688 0.515 -2.278 1.00 0.00 O ATOM 0 H SER A 94 -10.012 2.105 -3.613 1.00 0.00 H new ATOM 0 HA SER A 94 -12.793 2.133 -4.058 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.153 2.341 -1.495 1.00 0.00 H new ATOM 0 HB3 SER A 94 -12.876 2.027 -1.546 1.00 0.00 H new ATOM 0 HG SER A 94 -10.791 0.396 -2.654 1.00 0.00 H new ATOM 1451 N LEU A 95 -11.472 4.924 -2.943 1.00 0.00 N ATOM 1452 CA LEU A 95 -11.733 6.341 -2.712 1.00 0.00 C ATOM 1453 C LEU A 95 -12.202 7.024 -3.993 1.00 0.00 C ATOM 1454 O LEU A 95 -13.243 7.680 -4.013 1.00 0.00 O ATOM 1455 CB LEU A 95 -10.475 7.032 -2.183 1.00 0.00 C ATOM 1456 CG LEU A 95 -9.929 6.507 -0.855 1.00 0.00 C ATOM 1457 CD1 LEU A 95 -8.500 6.983 -0.640 1.00 0.00 C ATOM 1458 CD2 LEU A 95 -10.819 6.947 0.298 1.00 0.00 C ATOM 0 H LEU A 95 -10.490 4.659 -2.870 1.00 0.00 H new ATOM 0 HA LEU A 95 -12.525 6.423 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.692 6.942 -2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.689 8.095 -2.070 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.926 5.418 -0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.128 6.600 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.869 6.618 -1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.478 8.073 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.416 6.564 1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.854 8.036 0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.826 6.556 0.150 1.00 0.00 H new