USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 753 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 78 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 79 LYS NZ :NH3+ 167:sc= 0.621 (180deg=0.393) USER MOD Set 2.1: A 52 ASN : amide:sc= -6.04! C(o=-19!,f=-13!) USER MOD Set 2.2: A 54 ASN : amide:sc= -13.4! C(o=-19!,f=-7!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -0.711 USER MOD Single : A 33 SER OG : rot 49:sc= 1.26 USER MOD Single : A 35 HIS : no HD1:sc= -0.172 X(o=-0.17,f=-0.17) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -170:sc= -1.8 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -1.49 K(o=-1.5,f=-2) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.17) USER MOD Single : A 72 GLN : amide:sc= -0.704 K(o=-0.7,f=0.99) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -179:sc= 1.72 (180deg=1.58) USER MOD Single : A 80 GLN : amide:sc= -0.52 X(o=-0.52,f=-0.4) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.6 K(o=-1.6,f=-0.41) USER MOD Single : A 91 SER OG : rot -56:sc= 0.0197 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-0.39) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.327 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 147:sc= -0.285 (180deg=-2.18!) USER MOD Single : A 102 ASN : amide:sc= -2.24 K(o=-2.2,f=-13!) USER MOD Single : A 103 ASN : amide:sc= -4.45 K(o=-4.5,f=-9.9!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -166:sc= -0.728 USER MOD ----------------------------------------------------------------- ATOM 286 N ASP A 23 0.956 -8.801 -4.915 1.00 0.00 N ATOM 287 CA ASP A 23 1.281 -9.741 -3.848 1.00 0.00 C ATOM 288 C ASP A 23 1.851 -9.011 -2.636 1.00 0.00 C ATOM 289 O ASP A 23 2.921 -8.407 -2.710 1.00 0.00 O ATOM 290 CB ASP A 23 2.281 -10.786 -4.347 1.00 0.00 C ATOM 291 CG ASP A 23 1.600 -11.971 -5.004 1.00 0.00 C ATOM 292 OD1 ASP A 23 0.541 -12.399 -4.502 1.00 0.00 O ATOM 293 OD2 ASP A 23 2.129 -12.470 -6.020 1.00 0.00 O ATOM 0 HA ASP A 23 0.362 -10.244 -3.547 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.963 -10.321 -5.059 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.885 -11.136 -3.510 1.00 0.00 H new ATOM 298 N GLU A 24 1.129 -9.071 -1.522 1.00 0.00 N ATOM 299 CA GLU A 24 1.562 -8.414 -0.295 1.00 0.00 C ATOM 300 C GLU A 24 1.794 -9.434 0.816 1.00 0.00 C ATOM 301 O GLU A 24 1.641 -9.127 1.999 1.00 0.00 O ATOM 302 CB GLU A 24 0.524 -7.383 0.152 1.00 0.00 C ATOM 303 CG GLU A 24 1.061 -6.373 1.153 1.00 0.00 C ATOM 304 CD GLU A 24 -0.030 -5.499 1.741 1.00 0.00 C ATOM 305 OE1 GLU A 24 -0.832 -6.012 2.548 1.00 0.00 O ATOM 306 OE2 GLU A 24 -0.080 -4.300 1.394 1.00 0.00 O ATOM 0 H GLU A 24 0.242 -9.568 -1.444 1.00 0.00 H new ATOM 0 HA GLU A 24 2.504 -7.905 -0.499 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.152 -6.851 -0.724 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.326 -7.903 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.572 -6.901 1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.803 -5.742 0.664 1.00 0.00 H new ATOM 313 N THR A 25 2.164 -10.650 0.427 1.00 0.00 N ATOM 314 CA THR A 25 2.414 -11.717 1.389 1.00 0.00 C ATOM 315 C THR A 25 3.909 -11.962 1.560 1.00 0.00 C ATOM 316 O THR A 25 4.329 -12.691 2.459 1.00 0.00 O ATOM 317 CB THR A 25 1.736 -13.031 0.959 1.00 0.00 C ATOM 318 OG1 THR A 25 2.230 -13.442 -0.320 1.00 0.00 O ATOM 319 CG2 THR A 25 0.225 -12.865 0.896 1.00 0.00 C ATOM 0 H THR A 25 2.297 -10.921 -0.547 1.00 0.00 H new ATOM 0 HA THR A 25 1.990 -11.393 2.339 1.00 0.00 H new ATOM 0 HB THR A 25 1.971 -13.795 1.700 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.795 -14.279 -0.585 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.232 -13.806 0.590 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.151 -12.582 1.879 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.026 -12.088 0.174 1.00 0.00 H new ATOM 327 N ARG A 26 4.708 -11.349 0.692 1.00 0.00 N ATOM 328 CA ARG A 26 6.157 -11.502 0.748 1.00 0.00 C ATOM 329 C ARG A 26 6.843 -10.143 0.846 1.00 0.00 C ATOM 330 O ARG A 26 6.205 -9.101 0.696 1.00 0.00 O ATOM 331 CB ARG A 26 6.660 -12.251 -0.487 1.00 0.00 C ATOM 332 CG ARG A 26 6.387 -11.524 -1.794 1.00 0.00 C ATOM 333 CD ARG A 26 6.558 -12.446 -2.991 1.00 0.00 C ATOM 334 NE ARG A 26 7.964 -12.727 -3.269 1.00 0.00 N ATOM 335 CZ ARG A 26 8.380 -13.784 -3.957 1.00 0.00 C ATOM 336 NH1 ARG A 26 7.503 -14.657 -4.433 1.00 0.00 N ATOM 337 NH2 ARG A 26 9.677 -13.971 -4.169 1.00 0.00 N ATOM 0 H ARG A 26 4.376 -10.742 -0.058 1.00 0.00 H new ATOM 0 HA ARG A 26 6.402 -12.079 1.639 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.733 -12.415 -0.390 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.189 -13.233 -0.522 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.373 -11.123 -1.784 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.064 -10.675 -1.888 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.031 -13.382 -2.806 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.099 -11.990 -3.868 1.00 0.00 H new ATOM 0 HE ARG A 26 8.665 -12.076 -2.915 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.506 -14.518 -4.271 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.826 -15.468 -4.961 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.355 -13.303 -3.803 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.995 -14.783 -4.698 1.00 0.00 H new ATOM 351 N VAL A 27 8.148 -10.162 1.100 1.00 0.00 N ATOM 352 CA VAL A 27 8.922 -8.931 1.217 1.00 0.00 C ATOM 353 C VAL A 27 9.675 -8.630 -0.073 1.00 0.00 C ATOM 354 O VAL A 27 10.125 -9.530 -0.783 1.00 0.00 O ATOM 355 CB VAL A 27 9.929 -9.011 2.380 1.00 0.00 C ATOM 356 CG1 VAL A 27 9.215 -9.331 3.684 1.00 0.00 C ATOM 357 CG2 VAL A 27 11.004 -10.045 2.083 1.00 0.00 C ATOM 0 H VAL A 27 8.691 -11.016 1.229 1.00 0.00 H new ATOM 0 HA VAL A 27 8.212 -8.128 1.415 1.00 0.00 H new ATOM 0 HB VAL A 27 10.411 -8.040 2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.943 -9.383 4.494 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.486 -8.550 3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.704 -10.289 3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.707 -10.088 2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.541 -11.023 1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.536 -9.766 1.173 1.00 0.00 H new ATOM 367 N PRO A 28 9.817 -7.334 -0.387 1.00 0.00 N ATOM 368 CA PRO A 28 10.517 -6.884 -1.594 1.00 0.00 C ATOM 369 C PRO A 28 12.020 -7.131 -1.519 1.00 0.00 C ATOM 370 O PRO A 28 12.747 -6.389 -0.860 1.00 0.00 O ATOM 371 CB PRO A 28 10.223 -5.382 -1.634 1.00 0.00 C ATOM 372 CG PRO A 28 9.960 -5.009 -0.216 1.00 0.00 C ATOM 373 CD PRO A 28 9.306 -6.208 0.413 1.00 0.00 C ATOM 0 HA PRO A 28 10.185 -7.422 -2.482 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.067 -4.824 -2.040 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.363 -5.164 -2.267 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.886 -4.755 0.299 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.312 -4.135 -0.156 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.575 -6.307 1.465 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.219 -6.143 0.367 1.00 0.00 H new ATOM 381 N GLU A 29 12.477 -8.178 -2.198 1.00 0.00 N ATOM 382 CA GLU A 29 13.894 -8.522 -2.207 1.00 0.00 C ATOM 383 C GLU A 29 14.735 -7.351 -2.708 1.00 0.00 C ATOM 384 O GLU A 29 14.205 -6.368 -3.226 1.00 0.00 O ATOM 385 CB GLU A 29 14.138 -9.751 -3.086 1.00 0.00 C ATOM 386 CG GLU A 29 13.565 -9.621 -4.487 1.00 0.00 C ATOM 387 CD GLU A 29 14.515 -8.924 -5.442 1.00 0.00 C ATOM 388 OE1 GLU A 29 15.687 -9.345 -5.528 1.00 0.00 O ATOM 389 OE2 GLU A 29 14.084 -7.957 -6.105 1.00 0.00 O ATOM 0 H GLU A 29 11.887 -8.802 -2.749 1.00 0.00 H new ATOM 0 HA GLU A 29 14.192 -8.750 -1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.211 -9.929 -3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.701 -10.625 -2.603 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.330 -10.613 -4.873 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.628 -9.066 -4.443 1.00 0.00 H new ATOM 396 N VAL A 30 16.050 -7.464 -2.548 1.00 0.00 N ATOM 397 CA VAL A 30 16.965 -6.416 -2.984 1.00 0.00 C ATOM 398 C VAL A 30 16.455 -5.729 -4.246 1.00 0.00 C ATOM 399 O VAL A 30 15.947 -6.368 -5.167 1.00 0.00 O ATOM 400 CB VAL A 30 18.374 -6.977 -3.252 1.00 0.00 C ATOM 401 CG1 VAL A 30 18.307 -8.150 -4.218 1.00 0.00 C ATOM 402 CG2 VAL A 30 19.289 -5.886 -3.789 1.00 0.00 C ATOM 0 H VAL A 30 16.505 -8.270 -2.120 1.00 0.00 H new ATOM 0 HA VAL A 30 17.019 -5.688 -2.175 1.00 0.00 H new ATOM 0 HB VAL A 30 18.788 -7.336 -2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 30 19.312 -8.533 -4.395 1.00 0.00 H new ATOM 0 HG12 VAL A 30 17.688 -8.939 -3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 30 17.873 -7.820 -5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 30 20.280 -6.300 -3.973 1.00 0.00 H new ATOM 0 HG22 VAL A 30 18.881 -5.495 -4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 30 19.362 -5.080 -3.059 1.00 0.00 H new ATOM 412 N PRO A 31 16.592 -4.396 -4.291 1.00 0.00 N ATOM 413 CA PRO A 31 16.151 -3.593 -5.435 1.00 0.00 C ATOM 414 C PRO A 31 17.015 -3.822 -6.671 1.00 0.00 C ATOM 415 O PRO A 31 18.034 -4.510 -6.608 1.00 0.00 O ATOM 416 CB PRO A 31 16.301 -2.153 -4.937 1.00 0.00 C ATOM 417 CG PRO A 31 17.349 -2.225 -3.881 1.00 0.00 C ATOM 418 CD PRO A 31 17.188 -3.569 -3.228 1.00 0.00 C ATOM 0 HA PRO A 31 15.138 -3.848 -5.745 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.598 -1.484 -5.744 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.361 -1.772 -4.537 1.00 0.00 H new ATOM 0 HG2 PRO A 31 18.345 -2.117 -4.311 1.00 0.00 H new ATOM 0 HG3 PRO A 31 17.227 -1.421 -3.155 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.145 -3.971 -2.895 1.00 0.00 H new ATOM 0 HD3 PRO A 31 16.542 -3.515 -2.351 1.00 0.00 H new ATOM 426 N SER A 32 16.602 -3.240 -7.792 1.00 0.00 N ATOM 427 CA SER A 32 17.337 -3.383 -9.043 1.00 0.00 C ATOM 428 C SER A 32 18.800 -2.989 -8.862 1.00 0.00 C ATOM 429 O SER A 32 19.704 -3.683 -9.328 1.00 0.00 O ATOM 430 CB SER A 32 16.697 -2.526 -10.136 1.00 0.00 C ATOM 431 OG SER A 32 15.644 -3.222 -10.780 1.00 0.00 O ATOM 0 H SER A 32 15.762 -2.665 -7.860 1.00 0.00 H new ATOM 0 HA SER A 32 17.296 -4.430 -9.342 1.00 0.00 H new ATOM 0 HB2 SER A 32 16.314 -1.603 -9.701 1.00 0.00 H new ATOM 0 HB3 SER A 32 17.452 -2.243 -10.869 1.00 0.00 H new ATOM 0 HG SER A 32 15.251 -2.652 -11.473 1.00 0.00 H new ATOM 437 N SER A 33 19.024 -1.869 -8.182 1.00 0.00 N ATOM 438 CA SER A 33 20.377 -1.379 -7.942 1.00 0.00 C ATOM 439 C SER A 33 20.357 -0.155 -7.031 1.00 0.00 C ATOM 440 O SER A 33 19.298 0.273 -6.569 1.00 0.00 O ATOM 441 CB SER A 33 21.059 -1.032 -9.266 1.00 0.00 C ATOM 442 OG SER A 33 21.750 -2.152 -9.793 1.00 0.00 O ATOM 0 H SER A 33 18.287 -1.284 -7.788 1.00 0.00 H new ATOM 0 HA SER A 33 20.941 -2.170 -7.448 1.00 0.00 H new ATOM 0 HB2 SER A 33 20.314 -0.690 -9.984 1.00 0.00 H new ATOM 0 HB3 SER A 33 21.757 -0.209 -9.114 1.00 0.00 H new ATOM 0 HG SER A 33 21.159 -2.934 -9.787 1.00 0.00 H new ATOM 448 N LEU A 34 21.534 0.405 -6.777 1.00 0.00 N ATOM 449 CA LEU A 34 21.655 1.580 -5.922 1.00 0.00 C ATOM 450 C LEU A 34 22.889 2.397 -6.289 1.00 0.00 C ATOM 451 O LEU A 34 24.020 1.926 -6.158 1.00 0.00 O ATOM 452 CB LEU A 34 21.725 1.161 -4.452 1.00 0.00 C ATOM 453 CG LEU A 34 22.406 2.148 -3.505 1.00 0.00 C ATOM 454 CD1 LEU A 34 21.479 3.312 -3.188 1.00 0.00 C ATOM 455 CD2 LEU A 34 22.840 1.447 -2.226 1.00 0.00 C ATOM 0 H LEU A 34 22.419 0.064 -7.151 1.00 0.00 H new ATOM 0 HA LEU A 34 20.773 2.201 -6.075 1.00 0.00 H new ATOM 0 HB2 LEU A 34 20.710 0.988 -4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 34 22.251 0.208 -4.391 1.00 0.00 H new ATOM 0 HG LEU A 34 23.294 2.542 -4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 34 21.982 4.004 -2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 34 21.218 3.831 -4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.572 2.936 -2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 34 23.323 2.165 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 34 21.967 1.024 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 34 23.541 0.649 -2.469 1.00 0.00 H new ATOM 467 N HIS A 35 22.666 3.625 -6.747 1.00 0.00 N ATOM 468 CA HIS A 35 23.761 4.508 -7.131 1.00 0.00 C ATOM 469 C HIS A 35 24.016 5.556 -6.052 1.00 0.00 C ATOM 470 O HIS A 35 23.096 5.981 -5.354 1.00 0.00 O ATOM 471 CB HIS A 35 23.448 5.195 -8.461 1.00 0.00 C ATOM 472 CG HIS A 35 24.375 6.327 -8.783 1.00 0.00 C ATOM 473 ND1 HIS A 35 23.967 7.643 -8.829 1.00 0.00 N ATOM 474 CD2 HIS A 35 25.697 6.333 -9.074 1.00 0.00 C ATOM 475 CE1 HIS A 35 24.998 8.411 -9.136 1.00 0.00 C ATOM 476 NE2 HIS A 35 26.060 7.640 -9.290 1.00 0.00 N ATOM 0 H HIS A 35 21.737 4.031 -6.861 1.00 0.00 H new ATOM 0 HA HIS A 35 24.660 3.903 -7.246 1.00 0.00 H new ATOM 0 HB2 HIS A 35 23.497 4.457 -9.262 1.00 0.00 H new ATOM 0 HB3 HIS A 35 22.425 5.570 -8.435 1.00 0.00 H new ATOM 0 HD2 HIS A 35 26.345 5.471 -9.127 1.00 0.00 H new ATOM 0 HE1 HIS A 35 24.976 9.485 -9.243 1.00 0.00 H new ATOM 0 HE2 HIS A 35 26.997 7.963 -9.530 1.00 0.00 H new ATOM 485 N VAL A 36 25.273 5.969 -5.920 1.00 0.00 N ATOM 486 CA VAL A 36 25.650 6.967 -4.926 1.00 0.00 C ATOM 487 C VAL A 36 26.673 7.946 -5.491 1.00 0.00 C ATOM 488 O VAL A 36 27.595 7.552 -6.207 1.00 0.00 O ATOM 489 CB VAL A 36 26.230 6.308 -3.661 1.00 0.00 C ATOM 490 CG1 VAL A 36 25.150 5.538 -2.917 1.00 0.00 C ATOM 491 CG2 VAL A 36 27.394 5.397 -4.021 1.00 0.00 C ATOM 0 H VAL A 36 26.047 5.628 -6.489 1.00 0.00 H new ATOM 0 HA VAL A 36 24.742 7.508 -4.660 1.00 0.00 H new ATOM 0 HB VAL A 36 26.603 7.092 -3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 36 25.579 5.079 -2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 36 24.352 6.221 -2.625 1.00 0.00 H new ATOM 0 HG13 VAL A 36 24.744 4.761 -3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.792 4.940 -3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 36 27.049 4.617 -4.700 1.00 0.00 H new ATOM 0 HG23 VAL A 36 28.176 5.981 -4.506 1.00 0.00 H new ATOM 501 N ARG A 37 26.505 9.223 -5.164 1.00 0.00 N ATOM 502 CA ARG A 37 27.414 10.259 -5.640 1.00 0.00 C ATOM 503 C ARG A 37 27.979 11.065 -4.473 1.00 0.00 C ATOM 504 O ARG A 37 27.275 11.838 -3.822 1.00 0.00 O ATOM 505 CB ARG A 37 26.694 11.191 -6.615 1.00 0.00 C ATOM 506 CG ARG A 37 27.606 12.221 -7.261 1.00 0.00 C ATOM 507 CD ARG A 37 26.811 13.359 -7.882 1.00 0.00 C ATOM 508 NE ARG A 37 27.655 14.244 -8.681 1.00 0.00 N ATOM 509 CZ ARG A 37 27.237 15.400 -9.184 1.00 0.00 C ATOM 510 NH1 ARG A 37 25.994 15.808 -8.973 1.00 0.00 N ATOM 511 NH2 ARG A 37 28.065 16.151 -9.901 1.00 0.00 N ATOM 0 H ARG A 37 25.748 9.565 -4.572 1.00 0.00 H new ATOM 0 HA ARG A 37 28.241 9.772 -6.157 1.00 0.00 H new ATOM 0 HB2 ARG A 37 26.225 10.593 -7.396 1.00 0.00 H new ATOM 0 HB3 ARG A 37 25.894 11.708 -6.086 1.00 0.00 H new ATOM 0 HG2 ARG A 37 28.292 12.620 -6.514 1.00 0.00 H new ATOM 0 HG3 ARG A 37 28.214 11.740 -8.027 1.00 0.00 H new ATOM 0 HD2 ARG A 37 26.020 12.948 -8.510 1.00 0.00 H new ATOM 0 HD3 ARG A 37 26.326 13.935 -7.094 1.00 0.00 H new ATOM 0 HE ARG A 37 28.617 13.959 -8.862 1.00 0.00 H new ATOM 0 HH11 ARG A 37 25.355 15.234 -8.423 1.00 0.00 H new ATOM 0 HH12 ARG A 37 25.676 16.696 -9.361 1.00 0.00 H new ATOM 0 HH21 ARG A 37 29.022 15.840 -10.066 1.00 0.00 H new ATOM 0 HH22 ARG A 37 27.744 17.039 -10.287 1.00 0.00 H new ATOM 525 N PRO A 38 29.279 10.880 -4.200 1.00 0.00 N ATOM 526 CA PRO A 38 29.967 11.581 -3.112 1.00 0.00 C ATOM 527 C PRO A 38 30.136 13.069 -3.396 1.00 0.00 C ATOM 528 O PRO A 38 30.620 13.457 -4.460 1.00 0.00 O ATOM 529 CB PRO A 38 31.331 10.889 -3.050 1.00 0.00 C ATOM 530 CG PRO A 38 31.542 10.346 -4.422 1.00 0.00 C ATOM 531 CD PRO A 38 30.178 9.975 -4.935 1.00 0.00 C ATOM 0 HA PRO A 38 29.407 11.533 -2.178 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.119 11.591 -2.776 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.338 10.094 -2.304 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.013 11.088 -5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.201 9.478 -4.401 1.00 0.00 H new ATOM 0 HD2 PRO A 38 30.101 10.120 -6.013 1.00 0.00 H new ATOM 0 HD3 PRO A 38 29.945 8.929 -4.737 1.00 0.00 H new ATOM 539 N LEU A 39 29.737 13.899 -2.438 1.00 0.00 N ATOM 540 CA LEU A 39 29.845 15.346 -2.585 1.00 0.00 C ATOM 541 C LEU A 39 30.721 15.941 -1.487 1.00 0.00 C ATOM 542 O LEU A 39 30.846 15.373 -0.402 1.00 0.00 O ATOM 543 CB LEU A 39 28.457 15.988 -2.549 1.00 0.00 C ATOM 544 CG LEU A 39 27.754 16.143 -3.899 1.00 0.00 C ATOM 545 CD1 LEU A 39 27.056 14.850 -4.288 1.00 0.00 C ATOM 546 CD2 LEU A 39 26.762 17.295 -3.853 1.00 0.00 C ATOM 0 H LEU A 39 29.336 13.594 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 39 30.310 15.554 -3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 39 27.820 15.392 -1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 39 28.546 16.974 -2.093 1.00 0.00 H new ATOM 0 HG LEU A 39 28.506 16.367 -4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 39 26.561 14.979 -5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 39 27.790 14.048 -4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 39 26.315 14.595 -3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 39 26.271 17.391 -4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 39 26.014 17.100 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 39 27.289 18.220 -3.620 1.00 0.00 H new ATOM 558 N VAL A 40 31.326 17.089 -1.777 1.00 0.00 N ATOM 559 CA VAL A 40 32.188 17.763 -0.813 1.00 0.00 C ATOM 560 C VAL A 40 31.733 17.490 0.616 1.00 0.00 C ATOM 561 O VAL A 40 32.408 16.790 1.372 1.00 0.00 O ATOM 562 CB VAL A 40 32.212 19.285 -1.050 1.00 0.00 C ATOM 563 CG1 VAL A 40 33.124 19.968 -0.042 1.00 0.00 C ATOM 564 CG2 VAL A 40 32.651 19.594 -2.473 1.00 0.00 C ATOM 0 H VAL A 40 31.235 17.571 -2.671 1.00 0.00 H new ATOM 0 HA VAL A 40 33.193 17.364 -0.954 1.00 0.00 H new ATOM 0 HB VAL A 40 31.203 19.673 -0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 40 33.128 21.043 -0.225 1.00 0.00 H new ATOM 0 HG12 VAL A 40 32.761 19.773 0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 40 34.137 19.578 -0.145 1.00 0.00 H new ATOM 0 HG21 VAL A 40 32.663 20.673 -2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 40 33.651 19.193 -2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 40 31.955 19.137 -3.176 1.00 0.00 H new ATOM 574 N THR A 41 30.583 18.047 0.982 1.00 0.00 N ATOM 575 CA THR A 41 30.038 17.864 2.321 1.00 0.00 C ATOM 576 C THR A 41 28.657 17.219 2.270 1.00 0.00 C ATOM 577 O THR A 41 27.865 17.349 3.203 1.00 0.00 O ATOM 578 CB THR A 41 29.938 19.204 3.075 1.00 0.00 C ATOM 579 OG1 THR A 41 29.253 20.169 2.269 1.00 0.00 O ATOM 580 CG2 THR A 41 31.321 19.725 3.436 1.00 0.00 C ATOM 0 H THR A 41 30.011 18.629 0.370 1.00 0.00 H new ATOM 0 HA THR A 41 30.724 17.206 2.854 1.00 0.00 H new ATOM 0 HB THR A 41 29.378 19.038 3.996 1.00 0.00 H new ATOM 0 HG1 THR A 41 29.192 21.017 2.756 1.00 0.00 H new ATOM 0 HG21 THR A 41 31.226 20.672 3.968 1.00 0.00 H new ATOM 0 HG22 THR A 41 31.828 19.000 4.073 1.00 0.00 H new ATOM 0 HG23 THR A 41 31.902 19.877 2.526 1.00 0.00 H new ATOM 588 N SER A 42 28.375 16.524 1.173 1.00 0.00 N ATOM 589 CA SER A 42 27.087 15.861 0.998 1.00 0.00 C ATOM 590 C SER A 42 27.249 14.557 0.223 1.00 0.00 C ATOM 591 O SER A 42 28.358 14.181 -0.156 1.00 0.00 O ATOM 592 CB SER A 42 26.110 16.784 0.268 1.00 0.00 C ATOM 593 OG SER A 42 26.735 17.420 -0.834 1.00 0.00 O ATOM 0 H SER A 42 29.020 16.405 0.392 1.00 0.00 H new ATOM 0 HA SER A 42 26.688 15.629 1.985 1.00 0.00 H new ATOM 0 HB2 SER A 42 25.252 16.209 -0.079 1.00 0.00 H new ATOM 0 HB3 SER A 42 25.731 17.537 0.959 1.00 0.00 H new ATOM 0 HG SER A 42 26.145 18.118 -1.187 1.00 0.00 H new ATOM 599 N ILE A 43 26.134 13.872 -0.008 1.00 0.00 N ATOM 600 CA ILE A 43 26.150 12.610 -0.738 1.00 0.00 C ATOM 601 C ILE A 43 24.787 12.313 -1.352 1.00 0.00 C ATOM 602 O ILE A 43 23.842 11.956 -0.648 1.00 0.00 O ATOM 603 CB ILE A 43 26.558 11.438 0.174 1.00 0.00 C ATOM 604 CG1 ILE A 43 27.956 11.673 0.749 1.00 0.00 C ATOM 605 CG2 ILE A 43 26.509 10.127 -0.597 1.00 0.00 C ATOM 606 CD1 ILE A 43 28.464 10.523 1.590 1.00 0.00 C ATOM 0 H ILE A 43 25.208 14.170 0.300 1.00 0.00 H new ATOM 0 HA ILE A 43 26.888 12.714 -1.533 1.00 0.00 H new ATOM 0 HB ILE A 43 25.852 11.377 1.002 1.00 0.00 H new ATOM 0 HG12 ILE A 43 28.653 11.849 -0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 43 27.943 12.578 1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 43 26.800 9.307 0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 43 25.496 9.957 -0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 43 27.196 10.176 -1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 43 29.460 10.759 1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 43 27.789 10.361 2.430 1.00 0.00 H new ATOM 0 HD13 ILE A 43 28.510 9.620 0.982 1.00 0.00 H new ATOM 618 N VAL A 44 24.692 12.460 -2.669 1.00 0.00 N ATOM 619 CA VAL A 44 23.444 12.204 -3.380 1.00 0.00 C ATOM 620 C VAL A 44 23.227 10.709 -3.587 1.00 0.00 C ATOM 621 O VAL A 44 23.768 10.116 -4.521 1.00 0.00 O ATOM 622 CB VAL A 44 23.423 12.910 -4.748 1.00 0.00 C ATOM 623 CG1 VAL A 44 22.139 12.586 -5.496 1.00 0.00 C ATOM 624 CG2 VAL A 44 23.584 14.413 -4.575 1.00 0.00 C ATOM 0 H VAL A 44 25.464 12.755 -3.266 1.00 0.00 H new ATOM 0 HA VAL A 44 22.639 12.603 -2.762 1.00 0.00 H new ATOM 0 HB VAL A 44 24.262 12.544 -5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 44 22.142 13.094 -6.461 1.00 0.00 H new ATOM 0 HG12 VAL A 44 22.071 11.509 -5.653 1.00 0.00 H new ATOM 0 HG13 VAL A 44 21.283 12.922 -4.912 1.00 0.00 H new ATOM 0 HG21 VAL A 44 23.567 14.896 -5.552 1.00 0.00 H new ATOM 0 HG22 VAL A 44 22.767 14.799 -3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 44 24.534 14.623 -4.083 1.00 0.00 H new ATOM 634 N VAL A 45 22.431 10.105 -2.711 1.00 0.00 N ATOM 635 CA VAL A 45 22.140 8.679 -2.799 1.00 0.00 C ATOM 636 C VAL A 45 20.900 8.423 -3.647 1.00 0.00 C ATOM 637 O VAL A 45 19.772 8.580 -3.180 1.00 0.00 O ATOM 638 CB VAL A 45 21.930 8.062 -1.403 1.00 0.00 C ATOM 639 CG1 VAL A 45 21.514 6.604 -1.521 1.00 0.00 C ATOM 640 CG2 VAL A 45 23.193 8.198 -0.566 1.00 0.00 C ATOM 0 H VAL A 45 21.976 10.581 -1.932 1.00 0.00 H new ATOM 0 HA VAL A 45 23.003 8.208 -3.270 1.00 0.00 H new ATOM 0 HB VAL A 45 21.128 8.604 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 45 21.370 6.185 -0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.582 6.536 -2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.292 6.045 -2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 45 23.027 7.757 0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 45 24.015 7.682 -1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 45 23.443 9.253 -0.453 1.00 0.00 H new ATOM 650 N SER A 46 21.117 8.026 -4.897 1.00 0.00 N ATOM 651 CA SER A 46 20.016 7.750 -5.814 1.00 0.00 C ATOM 652 C SER A 46 19.855 6.249 -6.033 1.00 0.00 C ATOM 653 O SER A 46 20.808 5.558 -6.394 1.00 0.00 O ATOM 654 CB SER A 46 20.252 8.451 -7.153 1.00 0.00 C ATOM 655 OG SER A 46 19.525 7.820 -8.193 1.00 0.00 O ATOM 0 H SER A 46 22.045 7.888 -5.298 1.00 0.00 H new ATOM 0 HA SER A 46 19.099 8.134 -5.368 1.00 0.00 H new ATOM 0 HB2 SER A 46 19.952 9.496 -7.078 1.00 0.00 H new ATOM 0 HB3 SER A 46 21.316 8.441 -7.390 1.00 0.00 H new ATOM 0 HG SER A 46 19.691 8.287 -9.038 1.00 0.00 H new ATOM 661 N TRP A 47 18.644 5.752 -5.812 1.00 0.00 N ATOM 662 CA TRP A 47 18.356 4.333 -5.985 1.00 0.00 C ATOM 663 C TRP A 47 17.195 4.126 -6.951 1.00 0.00 C ATOM 664 O TRP A 47 16.689 5.080 -7.543 1.00 0.00 O ATOM 665 CB TRP A 47 18.035 3.688 -4.636 1.00 0.00 C ATOM 666 CG TRP A 47 16.806 4.250 -3.988 1.00 0.00 C ATOM 667 CD1 TRP A 47 15.526 3.793 -4.124 1.00 0.00 C ATOM 668 CD2 TRP A 47 16.741 5.373 -3.103 1.00 0.00 C ATOM 669 NE1 TRP A 47 14.669 4.566 -3.377 1.00 0.00 N ATOM 670 CE2 TRP A 47 15.390 5.541 -2.740 1.00 0.00 C ATOM 671 CE3 TRP A 47 17.693 6.253 -2.579 1.00 0.00 C ATOM 672 CZ2 TRP A 47 14.971 6.553 -1.881 1.00 0.00 C ATOM 673 CZ3 TRP A 47 17.275 7.256 -1.727 1.00 0.00 C ATOM 674 CH2 TRP A 47 15.924 7.399 -1.383 1.00 0.00 C ATOM 0 H TRP A 47 17.845 6.311 -5.512 1.00 0.00 H new ATOM 0 HA TRP A 47 19.242 3.857 -6.405 1.00 0.00 H new ATOM 0 HB2 TRP A 47 17.905 2.615 -4.776 1.00 0.00 H new ATOM 0 HB3 TRP A 47 18.884 3.822 -3.966 1.00 0.00 H new ATOM 0 HD1 TRP A 47 15.231 2.949 -4.729 1.00 0.00 H new ATOM 0 HE1 TRP A 47 13.660 4.435 -3.308 1.00 0.00 H new ATOM 0 HE3 TRP A 47 18.737 6.150 -2.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 13.930 6.666 -1.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 18.002 7.942 -1.319 1.00 0.00 H new ATOM 0 HH2 TRP A 47 15.629 8.192 -0.712 1.00 0.00 H new ATOM 685 N THR A 48 16.775 2.874 -7.107 1.00 0.00 N ATOM 686 CA THR A 48 15.674 2.543 -8.002 1.00 0.00 C ATOM 687 C THR A 48 14.823 1.414 -7.432 1.00 0.00 C ATOM 688 O THR A 48 15.265 0.638 -6.584 1.00 0.00 O ATOM 689 CB THR A 48 16.186 2.131 -9.395 1.00 0.00 C ATOM 690 OG1 THR A 48 17.470 1.507 -9.280 1.00 0.00 O ATOM 691 CG2 THR A 48 16.285 3.340 -10.314 1.00 0.00 C ATOM 0 H THR A 48 17.181 2.073 -6.624 1.00 0.00 H new ATOM 0 HA THR A 48 15.064 3.441 -8.098 1.00 0.00 H new ATOM 0 HB THR A 48 15.476 1.424 -9.825 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.788 1.246 -10.170 1.00 0.00 H new ATOM 0 HG21 THR A 48 16.649 3.025 -11.292 1.00 0.00 H new ATOM 0 HG22 THR A 48 15.301 3.796 -10.422 1.00 0.00 H new ATOM 0 HG23 THR A 48 16.976 4.066 -9.887 1.00 0.00 H new ATOM 699 N PRO A 49 13.572 1.317 -7.906 1.00 0.00 N ATOM 700 CA PRO A 49 12.633 0.284 -7.458 1.00 0.00 C ATOM 701 C PRO A 49 13.029 -1.108 -7.940 1.00 0.00 C ATOM 702 O PRO A 49 13.880 -1.269 -8.815 1.00 0.00 O ATOM 703 CB PRO A 49 11.307 0.711 -8.091 1.00 0.00 C ATOM 704 CG PRO A 49 11.698 1.511 -9.286 1.00 0.00 C ATOM 705 CD PRO A 49 12.979 2.207 -8.918 1.00 0.00 C ATOM 0 HA PRO A 49 12.598 0.209 -6.371 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.706 -0.154 -8.373 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.709 1.302 -7.397 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.839 0.870 -10.156 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.922 2.232 -9.544 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.634 2.327 -9.781 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.794 3.204 -8.518 1.00 0.00 H new ATOM 713 N PRO A 50 12.399 -2.138 -7.356 1.00 0.00 N ATOM 714 CA PRO A 50 12.669 -3.535 -7.712 1.00 0.00 C ATOM 715 C PRO A 50 12.162 -3.887 -9.106 1.00 0.00 C ATOM 716 O PRO A 50 11.038 -3.545 -9.471 1.00 0.00 O ATOM 717 CB PRO A 50 11.903 -4.325 -6.648 1.00 0.00 C ATOM 718 CG PRO A 50 10.812 -3.411 -6.209 1.00 0.00 C ATOM 719 CD PRO A 50 11.374 -2.019 -6.306 1.00 0.00 C ATOM 0 HA PRO A 50 13.737 -3.751 -7.737 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.502 -5.253 -7.056 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.551 -4.597 -5.815 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.932 -3.522 -6.842 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.501 -3.636 -5.189 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.606 -1.293 -6.574 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.804 -1.692 -5.359 1.00 0.00 H new ATOM 727 N GLU A 51 12.998 -4.572 -9.879 1.00 0.00 N ATOM 728 CA GLU A 51 12.633 -4.970 -11.234 1.00 0.00 C ATOM 729 C GLU A 51 11.166 -5.387 -11.302 1.00 0.00 C ATOM 730 O GLU A 51 10.508 -5.216 -12.327 1.00 0.00 O ATOM 731 CB GLU A 51 13.524 -6.119 -11.710 1.00 0.00 C ATOM 732 CG GLU A 51 14.782 -5.657 -12.425 1.00 0.00 C ATOM 733 CD GLU A 51 15.403 -6.747 -13.277 1.00 0.00 C ATOM 734 OE1 GLU A 51 14.812 -7.089 -14.323 1.00 0.00 O ATOM 735 OE2 GLU A 51 16.477 -7.257 -12.899 1.00 0.00 O ATOM 0 H GLU A 51 13.932 -4.863 -9.591 1.00 0.00 H new ATOM 0 HA GLU A 51 12.780 -4.111 -11.889 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.807 -6.728 -10.851 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.950 -6.759 -12.380 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.543 -4.800 -13.055 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.510 -5.318 -11.688 1.00 0.00 H new ATOM 742 N ASN A 52 10.662 -5.935 -10.201 1.00 0.00 N ATOM 743 CA ASN A 52 9.274 -6.378 -10.135 1.00 0.00 C ATOM 744 C ASN A 52 8.389 -5.303 -9.513 1.00 0.00 C ATOM 745 O ASN A 52 8.879 -4.386 -8.855 1.00 0.00 O ATOM 746 CB ASN A 52 9.168 -7.673 -9.326 1.00 0.00 C ATOM 747 CG ASN A 52 8.053 -8.574 -9.820 1.00 0.00 C ATOM 748 OD1 ASN A 52 7.143 -8.127 -10.519 1.00 0.00 O ATOM 749 ND2 ASN A 52 8.118 -9.849 -9.457 1.00 0.00 N ATOM 0 H ASN A 52 11.193 -6.083 -9.343 1.00 0.00 H new ATOM 0 HA ASN A 52 8.929 -6.564 -11.152 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.115 -8.210 -9.379 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.997 -7.430 -8.277 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.395 -10.503 -9.758 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.891 -10.175 -8.877 1.00 0.00 H new ATOM 756 N GLN A 53 7.082 -5.424 -9.725 1.00 0.00 N ATOM 757 CA GLN A 53 6.129 -4.462 -9.185 1.00 0.00 C ATOM 758 C GLN A 53 5.057 -5.164 -8.357 1.00 0.00 C ATOM 759 O GLN A 53 4.685 -4.696 -7.282 1.00 0.00 O ATOM 760 CB GLN A 53 5.476 -3.668 -10.318 1.00 0.00 C ATOM 761 CG GLN A 53 6.476 -3.005 -11.251 1.00 0.00 C ATOM 762 CD GLN A 53 7.634 -2.368 -10.508 1.00 0.00 C ATOM 763 OE1 GLN A 53 8.798 -2.597 -10.836 1.00 0.00 O ATOM 764 NE2 GLN A 53 7.319 -1.562 -9.501 1.00 0.00 N ATOM 0 H GLN A 53 6.660 -6.178 -10.266 1.00 0.00 H new ATOM 0 HA GLN A 53 6.672 -3.775 -8.536 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.838 -4.335 -10.898 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.830 -2.903 -9.889 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.862 -3.747 -11.950 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.966 -2.244 -11.842 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.340 -1.401 -9.264 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.056 -1.104 -8.965 1.00 0.00 H new ATOM 773 N ASN A 54 4.566 -6.289 -8.866 1.00 0.00 N ATOM 774 CA ASN A 54 3.536 -7.055 -8.173 1.00 0.00 C ATOM 775 C ASN A 54 3.755 -7.021 -6.664 1.00 0.00 C ATOM 776 O ASN A 54 2.805 -7.110 -5.886 1.00 0.00 O ATOM 777 CB ASN A 54 3.530 -8.504 -8.666 1.00 0.00 C ATOM 778 CG ASN A 54 4.775 -9.262 -8.247 1.00 0.00 C ATOM 779 OD1 ASN A 54 4.702 -10.426 -7.851 1.00 0.00 O ATOM 780 ND2 ASN A 54 5.925 -8.604 -8.331 1.00 0.00 N ATOM 0 H ASN A 54 4.864 -6.690 -9.755 1.00 0.00 H new ATOM 0 HA ASN A 54 2.571 -6.599 -8.392 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.649 -9.014 -8.276 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.450 -8.515 -9.753 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.796 -9.062 -8.062 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.938 -7.640 -8.665 1.00 0.00 H new ATOM 787 N ILE A 55 5.013 -6.890 -6.257 1.00 0.00 N ATOM 788 CA ILE A 55 5.357 -6.842 -4.841 1.00 0.00 C ATOM 789 C ILE A 55 5.056 -5.470 -4.249 1.00 0.00 C ATOM 790 O ILE A 55 5.336 -4.441 -4.864 1.00 0.00 O ATOM 791 CB ILE A 55 6.843 -7.174 -4.611 1.00 0.00 C ATOM 792 CG1 ILE A 55 7.192 -8.521 -5.246 1.00 0.00 C ATOM 793 CG2 ILE A 55 7.159 -7.186 -3.123 1.00 0.00 C ATOM 794 CD1 ILE A 55 8.679 -8.786 -5.324 1.00 0.00 C ATOM 0 H ILE A 55 5.811 -6.815 -6.888 1.00 0.00 H new ATOM 0 HA ILE A 55 4.745 -7.593 -4.342 1.00 0.00 H new ATOM 0 HB ILE A 55 7.450 -6.402 -5.085 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.719 -9.318 -4.672 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.771 -8.560 -6.251 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.213 -7.422 -2.977 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.944 -6.206 -2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.546 -7.939 -2.627 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.852 -9.758 -5.785 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.156 -8.010 -5.923 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.103 -8.780 -4.320 1.00 0.00 H new ATOM 806 N VAL A 56 4.485 -5.462 -3.048 1.00 0.00 N ATOM 807 CA VAL A 56 4.149 -4.215 -2.370 1.00 0.00 C ATOM 808 C VAL A 56 5.385 -3.581 -1.742 1.00 0.00 C ATOM 809 O VAL A 56 6.140 -4.241 -1.028 1.00 0.00 O ATOM 810 CB VAL A 56 3.088 -4.440 -1.277 1.00 0.00 C ATOM 811 CG1 VAL A 56 2.768 -3.134 -0.567 1.00 0.00 C ATOM 812 CG2 VAL A 56 1.831 -5.055 -1.873 1.00 0.00 C ATOM 0 H VAL A 56 4.246 -6.304 -2.525 1.00 0.00 H new ATOM 0 HA VAL A 56 3.744 -3.542 -3.126 1.00 0.00 H new ATOM 0 HB VAL A 56 3.491 -5.136 -0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.016 -3.313 0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.673 -2.740 -0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.385 -2.412 -1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.092 -5.207 -1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.422 -4.386 -2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.077 -6.014 -2.330 1.00 0.00 H new ATOM 822 N VAL A 57 5.585 -2.295 -2.011 1.00 0.00 N ATOM 823 CA VAL A 57 6.728 -1.570 -1.470 1.00 0.00 C ATOM 824 C VAL A 57 6.280 -0.334 -0.698 1.00 0.00 C ATOM 825 O VAL A 57 5.550 0.507 -1.223 1.00 0.00 O ATOM 826 CB VAL A 57 7.699 -1.140 -2.586 1.00 0.00 C ATOM 827 CG1 VAL A 57 8.888 -0.393 -2.001 1.00 0.00 C ATOM 828 CG2 VAL A 57 8.160 -2.350 -3.385 1.00 0.00 C ATOM 0 H VAL A 57 4.970 -1.734 -2.600 1.00 0.00 H new ATOM 0 HA VAL A 57 7.243 -2.251 -0.792 1.00 0.00 H new ATOM 0 HB VAL A 57 7.173 -0.465 -3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.563 -0.097 -2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.537 0.496 -1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.417 -1.041 -1.303 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.845 -2.029 -4.169 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.669 -3.051 -2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.296 -2.839 -3.836 1.00 0.00 H new ATOM 838 N ARG A 58 6.723 -0.230 0.550 1.00 0.00 N ATOM 839 CA ARG A 58 6.367 0.904 1.396 1.00 0.00 C ATOM 840 C ARG A 58 7.465 1.963 1.375 1.00 0.00 C ATOM 841 O ARG A 58 7.185 3.161 1.359 1.00 0.00 O ATOM 842 CB ARG A 58 6.118 0.438 2.832 1.00 0.00 C ATOM 843 CG ARG A 58 4.740 -0.166 3.047 1.00 0.00 C ATOM 844 CD ARG A 58 3.680 0.911 3.213 1.00 0.00 C ATOM 845 NE ARG A 58 2.515 0.423 3.947 1.00 0.00 N ATOM 846 CZ ARG A 58 1.647 1.220 4.560 1.00 0.00 C ATOM 847 NH1 ARG A 58 1.810 2.535 4.527 1.00 0.00 N ATOM 848 NH2 ARG A 58 0.611 0.700 5.208 1.00 0.00 N ATOM 0 H ARG A 58 7.329 -0.917 0.999 1.00 0.00 H new ATOM 0 HA ARG A 58 5.452 1.347 1.002 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.874 -0.299 3.102 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.243 1.285 3.507 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.484 -0.802 2.200 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.755 -0.803 3.931 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.109 1.764 3.739 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.367 1.266 2.231 1.00 0.00 H new ATOM 0 HE ARG A 58 2.360 -0.584 3.991 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.604 2.938 4.030 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.141 3.144 4.999 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.482 -0.311 5.235 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.056 1.312 5.679 1.00 0.00 H new ATOM 862 N GLY A 59 8.715 1.512 1.377 1.00 0.00 N ATOM 863 CA GLY A 59 9.836 2.434 1.359 1.00 0.00 C ATOM 864 C GLY A 59 11.174 1.720 1.373 1.00 0.00 C ATOM 865 O GLY A 59 11.257 0.536 1.045 1.00 0.00 O ATOM 0 H GLY A 59 8.972 0.525 1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.772 3.062 0.470 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.772 3.096 2.222 1.00 0.00 H new ATOM 869 N TYR A 60 12.223 2.441 1.752 1.00 0.00 N ATOM 870 CA TYR A 60 13.564 1.871 1.803 1.00 0.00 C ATOM 871 C TYR A 60 14.373 2.482 2.943 1.00 0.00 C ATOM 872 O TYR A 60 14.135 3.621 3.347 1.00 0.00 O ATOM 873 CB TYR A 60 14.286 2.094 0.474 1.00 0.00 C ATOM 874 CG TYR A 60 13.366 2.081 -0.725 1.00 0.00 C ATOM 875 CD1 TYR A 60 13.038 0.890 -1.362 1.00 0.00 C ATOM 876 CD2 TYR A 60 12.824 3.260 -1.223 1.00 0.00 C ATOM 877 CE1 TYR A 60 12.198 0.874 -2.458 1.00 0.00 C ATOM 878 CE2 TYR A 60 11.982 3.253 -2.318 1.00 0.00 C ATOM 879 CZ TYR A 60 11.672 2.058 -2.932 1.00 0.00 C ATOM 880 OH TYR A 60 10.834 2.047 -4.024 1.00 0.00 O ATOM 0 H TYR A 60 12.171 3.421 2.028 1.00 0.00 H new ATOM 0 HA TYR A 60 13.469 0.800 1.982 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.808 3.050 0.510 1.00 0.00 H new ATOM 0 HB3 TYR A 60 15.044 1.321 0.348 1.00 0.00 H new ATOM 0 HD1 TYR A 60 13.447 -0.039 -0.993 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.065 4.198 -0.745 1.00 0.00 H new ATOM 0 HE1 TYR A 60 11.954 -0.060 -2.941 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.569 4.178 -2.691 1.00 0.00 H new ATOM 0 HH TYR A 60 10.551 2.963 -4.228 1.00 0.00 H new ATOM 890 N ALA A 61 15.330 1.717 3.458 1.00 0.00 N ATOM 891 CA ALA A 61 16.176 2.183 4.549 1.00 0.00 C ATOM 892 C ALA A 61 17.572 2.539 4.048 1.00 0.00 C ATOM 893 O ALA A 61 18.245 1.719 3.422 1.00 0.00 O ATOM 894 CB ALA A 61 16.259 1.127 5.641 1.00 0.00 C ATOM 0 H ALA A 61 15.539 0.772 3.137 1.00 0.00 H new ATOM 0 HA ALA A 61 15.726 3.085 4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.894 1.489 6.449 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.260 0.924 6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 61 16.682 0.211 5.230 1.00 0.00 H new ATOM 900 N ILE A 62 18.000 3.766 4.325 1.00 0.00 N ATOM 901 CA ILE A 62 19.316 4.229 3.902 1.00 0.00 C ATOM 902 C ILE A 62 20.274 4.318 5.085 1.00 0.00 C ATOM 903 O ILE A 62 20.063 5.099 6.011 1.00 0.00 O ATOM 904 CB ILE A 62 19.235 5.607 3.218 1.00 0.00 C ATOM 905 CG1 ILE A 62 18.326 5.537 1.989 1.00 0.00 C ATOM 906 CG2 ILE A 62 20.625 6.088 2.829 1.00 0.00 C ATOM 907 CD1 ILE A 62 17.655 6.852 1.658 1.00 0.00 C ATOM 0 H ILE A 62 17.455 4.457 4.840 1.00 0.00 H new ATOM 0 HA ILE A 62 19.692 3.498 3.186 1.00 0.00 H new ATOM 0 HB ILE A 62 18.809 6.322 3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 62 18.914 5.212 1.130 1.00 0.00 H new ATOM 0 HG13 ILE A 62 17.560 4.780 2.156 1.00 0.00 H new ATOM 0 HG21 ILE A 62 20.551 7.063 2.347 1.00 0.00 H new ATOM 0 HG22 ILE A 62 21.244 6.171 3.722 1.00 0.00 H new ATOM 0 HG23 ILE A 62 21.077 5.375 2.139 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.026 6.728 0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.040 7.169 2.500 1.00 0.00 H new ATOM 0 HD13 ILE A 62 18.415 7.608 1.459 1.00 0.00 H new ATOM 919 N GLY A 63 21.330 3.511 5.046 1.00 0.00 N ATOM 920 CA GLY A 63 22.307 3.514 6.119 1.00 0.00 C ATOM 921 C GLY A 63 23.665 4.013 5.666 1.00 0.00 C ATOM 922 O GLY A 63 24.202 3.546 4.661 1.00 0.00 O ATOM 0 H GLY A 63 21.526 2.855 4.290 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.946 4.142 6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.409 2.504 6.516 1.00 0.00 H new ATOM 926 N TYR A 64 24.220 4.965 6.407 1.00 0.00 N ATOM 927 CA TYR A 64 25.522 5.531 6.074 1.00 0.00 C ATOM 928 C TYR A 64 26.388 5.678 7.321 1.00 0.00 C ATOM 929 O TYR A 64 25.892 5.623 8.445 1.00 0.00 O ATOM 930 CB TYR A 64 25.352 6.891 5.394 1.00 0.00 C ATOM 931 CG TYR A 64 24.673 7.923 6.267 1.00 0.00 C ATOM 932 CD1 TYR A 64 23.288 7.993 6.343 1.00 0.00 C ATOM 933 CD2 TYR A 64 25.417 8.827 7.014 1.00 0.00 C ATOM 934 CE1 TYR A 64 22.663 8.935 7.138 1.00 0.00 C ATOM 935 CE2 TYR A 64 24.802 9.771 7.813 1.00 0.00 C ATOM 936 CZ TYR A 64 23.424 9.821 7.872 1.00 0.00 C ATOM 937 OH TYR A 64 22.807 10.761 8.665 1.00 0.00 O ATOM 0 H TYR A 64 23.789 5.361 7.242 1.00 0.00 H new ATOM 0 HA TYR A 64 26.021 4.848 5.386 1.00 0.00 H new ATOM 0 HB2 TYR A 64 26.332 7.265 5.098 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.772 6.761 4.481 1.00 0.00 H new ATOM 0 HD1 TYR A 64 22.689 7.300 5.771 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.495 8.791 6.969 1.00 0.00 H new ATOM 0 HE1 TYR A 64 21.585 8.977 7.184 1.00 0.00 H new ATOM 0 HE2 TYR A 64 25.396 10.466 8.388 1.00 0.00 H new ATOM 0 HH TYR A 64 23.486 11.306 9.115 1.00 0.00 H new ATOM 947 N GLY A 65 27.688 5.867 7.113 1.00 0.00 N ATOM 948 CA GLY A 65 28.603 6.019 8.228 1.00 0.00 C ATOM 949 C GLY A 65 29.997 5.516 7.908 1.00 0.00 C ATOM 950 O GLY A 65 30.186 4.757 6.957 1.00 0.00 O ATOM 0 H GLY A 65 28.123 5.917 6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 65 28.656 7.071 8.510 1.00 0.00 H new ATOM 0 HA3 GLY A 65 28.214 5.477 9.090 1.00 0.00 H new ATOM 954 N ILE A 66 30.974 5.940 8.702 1.00 0.00 N ATOM 955 CA ILE A 66 32.357 5.527 8.497 1.00 0.00 C ATOM 956 C ILE A 66 32.565 4.075 8.913 1.00 0.00 C ATOM 957 O ILE A 66 32.453 3.734 10.090 1.00 0.00 O ATOM 958 CB ILE A 66 33.334 6.420 9.284 1.00 0.00 C ATOM 959 CG1 ILE A 66 33.114 7.892 8.928 1.00 0.00 C ATOM 960 CG2 ILE A 66 34.772 6.011 9.002 1.00 0.00 C ATOM 961 CD1 ILE A 66 33.255 8.184 7.451 1.00 0.00 C ATOM 0 H ILE A 66 30.834 6.569 9.493 1.00 0.00 H new ATOM 0 HA ILE A 66 32.562 5.630 7.431 1.00 0.00 H new ATOM 0 HB ILE A 66 33.143 6.290 10.349 1.00 0.00 H new ATOM 0 HG12 ILE A 66 32.119 8.192 9.256 1.00 0.00 H new ATOM 0 HG13 ILE A 66 33.829 8.502 9.481 1.00 0.00 H new ATOM 0 HG21 ILE A 66 35.450 6.652 9.566 1.00 0.00 H new ATOM 0 HG22 ILE A 66 34.921 4.973 9.301 1.00 0.00 H new ATOM 0 HG23 ILE A 66 34.977 6.114 7.937 1.00 0.00 H new ATOM 0 HD11 ILE A 66 33.086 9.246 7.272 1.00 0.00 H new ATOM 0 HD12 ILE A 66 34.259 7.916 7.121 1.00 0.00 H new ATOM 0 HD13 ILE A 66 32.522 7.601 6.893 1.00 0.00 H new ATOM 973 N GLY A 67 32.871 3.223 7.939 1.00 0.00 N ATOM 974 CA GLY A 67 33.091 1.818 8.225 1.00 0.00 C ATOM 975 C GLY A 67 31.825 0.994 8.098 1.00 0.00 C ATOM 976 O GLY A 67 31.786 0.015 7.353 1.00 0.00 O ATOM 0 H GLY A 67 32.970 3.481 6.957 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.846 1.426 7.543 1.00 0.00 H new ATOM 0 HA3 GLY A 67 33.488 1.714 9.235 1.00 0.00 H new ATOM 980 N SER A 68 30.787 1.391 8.827 1.00 0.00 N ATOM 981 CA SER A 68 29.515 0.680 8.796 1.00 0.00 C ATOM 982 C SER A 68 28.346 1.659 8.740 1.00 0.00 C ATOM 983 O SER A 68 28.379 2.739 9.330 1.00 0.00 O ATOM 984 CB SER A 68 29.381 -0.221 10.026 1.00 0.00 C ATOM 985 OG SER A 68 30.363 -1.243 10.018 1.00 0.00 O ATOM 0 H SER A 68 30.802 2.201 9.446 1.00 0.00 H new ATOM 0 HA SER A 68 29.493 0.063 7.897 1.00 0.00 H new ATOM 0 HB2 SER A 68 29.481 0.377 10.932 1.00 0.00 H new ATOM 0 HB3 SER A 68 28.387 -0.667 10.047 1.00 0.00 H new ATOM 0 HG SER A 68 30.258 -1.804 10.814 1.00 0.00 H new ATOM 991 N PRO A 69 27.287 1.273 8.012 1.00 0.00 N ATOM 992 CA PRO A 69 26.087 2.101 7.860 1.00 0.00 C ATOM 993 C PRO A 69 25.286 2.203 9.153 1.00 0.00 C ATOM 994 O PRO A 69 24.649 3.222 9.423 1.00 0.00 O ATOM 995 CB PRO A 69 25.281 1.365 6.788 1.00 0.00 C ATOM 996 CG PRO A 69 25.731 -0.052 6.882 1.00 0.00 C ATOM 997 CD PRO A 69 27.180 -0.001 7.282 1.00 0.00 C ATOM 0 HA PRO A 69 26.332 3.130 7.596 1.00 0.00 H new ATOM 0 HB2 PRO A 69 24.210 1.453 6.968 1.00 0.00 H new ATOM 0 HB3 PRO A 69 25.472 1.776 5.797 1.00 0.00 H new ATOM 0 HG2 PRO A 69 25.142 -0.600 7.617 1.00 0.00 H new ATOM 0 HG3 PRO A 69 25.607 -0.565 5.928 1.00 0.00 H new ATOM 0 HD2 PRO A 69 27.454 -0.849 7.910 1.00 0.00 H new ATOM 0 HD3 PRO A 69 27.838 -0.023 6.413 1.00 0.00 H new ATOM 1005 N HIS A 70 25.321 1.140 9.951 1.00 0.00 N ATOM 1006 CA HIS A 70 24.597 1.110 11.217 1.00 0.00 C ATOM 1007 C HIS A 70 24.614 2.482 11.885 1.00 0.00 C ATOM 1008 O HIS A 70 23.641 2.884 12.522 1.00 0.00 O ATOM 1009 CB HIS A 70 25.209 0.067 12.154 1.00 0.00 C ATOM 1010 CG HIS A 70 25.302 -1.300 11.549 1.00 0.00 C ATOM 1011 ND1 HIS A 70 24.240 -1.920 10.925 1.00 0.00 N ATOM 1012 CD2 HIS A 70 26.339 -2.166 11.473 1.00 0.00 C ATOM 1013 CE1 HIS A 70 24.620 -3.110 10.493 1.00 0.00 C ATOM 1014 NE2 HIS A 70 25.889 -3.283 10.813 1.00 0.00 N ATOM 0 H HIS A 70 25.843 0.289 9.743 1.00 0.00 H new ATOM 0 HA HIS A 70 23.562 0.839 11.009 1.00 0.00 H new ATOM 0 HB2 HIS A 70 26.207 0.394 12.447 1.00 0.00 H new ATOM 0 HB3 HIS A 70 24.611 0.013 13.064 1.00 0.00 H new ATOM 0 HD2 HIS A 70 27.335 -2.008 11.859 1.00 0.00 H new ATOM 0 HE1 HIS A 70 23.998 -3.820 9.968 1.00 0.00 H new ATOM 0 HE2 HIS A 70 26.445 -4.112 10.604 1.00 0.00 H new ATOM 1023 N ALA A 71 25.726 3.194 11.734 1.00 0.00 N ATOM 1024 CA ALA A 71 25.868 4.521 12.321 1.00 0.00 C ATOM 1025 C ALA A 71 24.549 5.286 12.276 1.00 0.00 C ATOM 1026 O ALA A 71 24.009 5.670 13.313 1.00 0.00 O ATOM 1027 CB ALA A 71 26.958 5.302 11.603 1.00 0.00 C ATOM 0 H ALA A 71 26.541 2.874 11.211 1.00 0.00 H new ATOM 0 HA ALA A 71 26.152 4.400 13.366 1.00 0.00 H new ATOM 0 HB1 ALA A 71 27.053 6.291 12.052 1.00 0.00 H new ATOM 0 HB2 ALA A 71 27.905 4.770 11.692 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.698 5.405 10.550 1.00 0.00 H new ATOM 1033 N GLN A 72 24.038 5.503 11.068 1.00 0.00 N ATOM 1034 CA GLN A 72 22.783 6.223 10.889 1.00 0.00 C ATOM 1035 C GLN A 72 21.886 5.513 9.880 1.00 0.00 C ATOM 1036 O GLN A 72 22.369 4.826 8.979 1.00 0.00 O ATOM 1037 CB GLN A 72 23.054 7.656 10.428 1.00 0.00 C ATOM 1038 CG GLN A 72 23.652 8.541 11.510 1.00 0.00 C ATOM 1039 CD GLN A 72 25.168 8.502 11.524 1.00 0.00 C ATOM 1040 OE1 GLN A 72 25.814 8.668 10.489 1.00 0.00 O ATOM 1041 NE2 GLN A 72 25.744 8.282 12.700 1.00 0.00 N ATOM 0 H GLN A 72 24.473 5.191 10.200 1.00 0.00 H new ATOM 0 HA GLN A 72 22.269 6.249 11.850 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.731 7.632 9.574 1.00 0.00 H new ATOM 0 HB3 GLN A 72 22.121 8.100 10.082 1.00 0.00 H new ATOM 0 HG2 GLN A 72 23.320 9.568 11.359 1.00 0.00 H new ATOM 0 HG3 GLN A 72 23.275 8.224 12.483 1.00 0.00 H new ATOM 0 HE21 GLN A 72 25.170 8.150 13.532 1.00 0.00 H new ATOM 0 HE22 GLN A 72 26.761 8.245 12.771 1.00 0.00 H new ATOM 1050 N THR A 73 20.577 5.681 10.037 1.00 0.00 N ATOM 1051 CA THR A 73 19.613 5.055 9.142 1.00 0.00 C ATOM 1052 C THR A 73 18.427 5.977 8.880 1.00 0.00 C ATOM 1053 O THR A 73 17.891 6.591 9.803 1.00 0.00 O ATOM 1054 CB THR A 73 19.096 3.722 9.715 1.00 0.00 C ATOM 1055 OG1 THR A 73 20.192 2.830 9.943 1.00 0.00 O ATOM 1056 CG2 THR A 73 18.098 3.076 8.767 1.00 0.00 C ATOM 0 H THR A 73 20.160 6.246 10.777 1.00 0.00 H new ATOM 0 HA THR A 73 20.133 4.860 8.204 1.00 0.00 H new ATOM 0 HB THR A 73 18.593 3.928 10.660 1.00 0.00 H new ATOM 0 HG1 THR A 73 19.856 1.985 10.309 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.747 2.136 9.193 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.251 3.746 8.619 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.580 2.882 7.809 1.00 0.00 H new ATOM 1064 N ILE A 74 18.021 6.067 7.618 1.00 0.00 N ATOM 1065 CA ILE A 74 16.897 6.912 7.236 1.00 0.00 C ATOM 1066 C ILE A 74 15.806 6.099 6.547 1.00 0.00 C ATOM 1067 O ILE A 74 16.090 5.251 5.700 1.00 0.00 O ATOM 1068 CB ILE A 74 17.341 8.051 6.299 1.00 0.00 C ATOM 1069 CG1 ILE A 74 18.478 8.852 6.938 1.00 0.00 C ATOM 1070 CG2 ILE A 74 16.164 8.959 5.974 1.00 0.00 C ATOM 1071 CD1 ILE A 74 19.232 9.720 5.955 1.00 0.00 C ATOM 0 H ILE A 74 18.454 5.565 6.843 1.00 0.00 H new ATOM 0 HA ILE A 74 16.500 7.342 8.156 1.00 0.00 H new ATOM 0 HB ILE A 74 17.706 7.615 5.369 1.00 0.00 H new ATOM 0 HG12 ILE A 74 18.069 9.482 7.727 1.00 0.00 H new ATOM 0 HG13 ILE A 74 19.177 8.162 7.411 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.494 9.759 5.311 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.382 8.380 5.483 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.772 9.390 6.895 1.00 0.00 H new ATOM 0 HD11 ILE A 74 20.023 10.259 6.477 1.00 0.00 H new ATOM 0 HD12 ILE A 74 19.671 9.093 5.179 1.00 0.00 H new ATOM 0 HD13 ILE A 74 18.546 10.434 5.500 1.00 0.00 H new ATOM 1083 N LYS A 75 14.557 6.363 6.915 1.00 0.00 N ATOM 1084 CA LYS A 75 13.422 5.658 6.331 1.00 0.00 C ATOM 1085 C LYS A 75 12.484 6.631 5.623 1.00 0.00 C ATOM 1086 O LYS A 75 12.017 7.603 6.218 1.00 0.00 O ATOM 1087 CB LYS A 75 12.658 4.893 7.414 1.00 0.00 C ATOM 1088 CG LYS A 75 13.426 3.711 7.980 1.00 0.00 C ATOM 1089 CD LYS A 75 13.369 2.512 7.049 1.00 0.00 C ATOM 1090 CE LYS A 75 13.452 1.203 7.820 1.00 0.00 C ATOM 1091 NZ LYS A 75 12.145 0.838 8.434 1.00 0.00 N ATOM 0 H LYS A 75 14.305 7.060 7.615 1.00 0.00 H new ATOM 0 HA LYS A 75 13.805 4.949 5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.412 5.578 8.226 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.715 4.538 6.999 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.465 3.996 8.144 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.013 3.439 8.951 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.443 2.539 6.475 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.189 2.567 6.333 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.774 0.406 7.149 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.209 1.288 8.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.247 -0.051 8.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.842 1.594 9.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.433 0.715 7.686 1.00 0.00 H new ATOM 1105 N VAL A 76 12.210 6.362 4.350 1.00 0.00 N ATOM 1106 CA VAL A 76 11.325 7.212 3.563 1.00 0.00 C ATOM 1107 C VAL A 76 10.381 6.376 2.705 1.00 0.00 C ATOM 1108 O VAL A 76 10.574 5.171 2.545 1.00 0.00 O ATOM 1109 CB VAL A 76 12.125 8.161 2.651 1.00 0.00 C ATOM 1110 CG1 VAL A 76 12.945 9.135 3.483 1.00 0.00 C ATOM 1111 CG2 VAL A 76 13.017 7.369 1.708 1.00 0.00 C ATOM 0 H VAL A 76 12.588 5.562 3.842 1.00 0.00 H new ATOM 0 HA VAL A 76 10.742 7.804 4.269 1.00 0.00 H new ATOM 0 HB VAL A 76 11.422 8.737 2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.504 9.798 2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.279 9.726 4.112 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.640 8.580 4.112 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.574 8.056 1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.715 6.765 2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.402 6.717 1.087 1.00 0.00 H new ATOM 1121 N ASP A 77 9.361 7.025 2.155 1.00 0.00 N ATOM 1122 CA ASP A 77 8.387 6.343 1.311 1.00 0.00 C ATOM 1123 C ASP A 77 9.026 5.882 0.006 1.00 0.00 C ATOM 1124 O ASP A 77 10.191 6.176 -0.265 1.00 0.00 O ATOM 1125 CB ASP A 77 7.202 7.264 1.016 1.00 0.00 C ATOM 1126 CG ASP A 77 6.339 7.508 2.238 1.00 0.00 C ATOM 1127 OD1 ASP A 77 5.713 6.543 2.724 1.00 0.00 O ATOM 1128 OD2 ASP A 77 6.289 8.664 2.708 1.00 0.00 O ATOM 0 H ASP A 77 9.187 8.022 2.278 1.00 0.00 H new ATOM 0 HA ASP A 77 8.030 5.465 1.849 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.572 8.218 0.640 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.592 6.825 0.226 1.00 0.00 H new ATOM 1133 N TYR A 78 8.259 5.156 -0.800 1.00 0.00 N ATOM 1134 CA TYR A 78 8.751 4.652 -2.076 1.00 0.00 C ATOM 1135 C TYR A 78 8.921 5.786 -3.082 1.00 0.00 C ATOM 1136 O TYR A 78 9.848 5.780 -3.892 1.00 0.00 O ATOM 1137 CB TYR A 78 7.794 3.598 -2.635 1.00 0.00 C ATOM 1138 CG TYR A 78 6.338 3.995 -2.548 1.00 0.00 C ATOM 1139 CD1 TYR A 78 5.727 4.702 -3.577 1.00 0.00 C ATOM 1140 CD2 TYR A 78 5.573 3.665 -1.436 1.00 0.00 C ATOM 1141 CE1 TYR A 78 4.397 5.067 -3.501 1.00 0.00 C ATOM 1142 CE2 TYR A 78 4.242 4.025 -1.352 1.00 0.00 C ATOM 1143 CZ TYR A 78 3.659 4.727 -2.387 1.00 0.00 C ATOM 1144 OH TYR A 78 2.334 5.089 -2.307 1.00 0.00 O ATOM 0 H TYR A 78 7.293 4.903 -0.592 1.00 0.00 H new ATOM 0 HA TYR A 78 9.725 4.194 -1.905 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.048 3.406 -3.677 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.940 2.663 -2.094 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.302 4.971 -4.451 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.027 3.118 -0.623 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.938 5.616 -4.310 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.661 3.759 -0.481 1.00 0.00 H new ATOM 0 HH TYR A 78 1.959 4.772 -1.459 1.00 0.00 H new ATOM 1154 N LYS A 79 8.019 6.760 -3.023 1.00 0.00 N ATOM 1155 CA LYS A 79 8.067 7.903 -3.926 1.00 0.00 C ATOM 1156 C LYS A 79 9.491 8.435 -4.055 1.00 0.00 C ATOM 1157 O LYS A 79 9.989 8.637 -5.162 1.00 0.00 O ATOM 1158 CB LYS A 79 7.140 9.013 -3.426 1.00 0.00 C ATOM 1159 CG LYS A 79 5.667 8.647 -3.483 1.00 0.00 C ATOM 1160 CD LYS A 79 5.206 7.990 -2.193 1.00 0.00 C ATOM 1161 CE LYS A 79 3.739 8.278 -1.914 1.00 0.00 C ATOM 1162 NZ LYS A 79 2.880 7.975 -3.093 1.00 0.00 N ATOM 0 H LYS A 79 7.245 6.780 -2.359 1.00 0.00 H new ATOM 0 HA LYS A 79 7.731 7.572 -4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.405 9.260 -2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.306 9.910 -4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.075 9.544 -3.668 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.491 7.971 -4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.361 6.913 -2.257 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.813 8.351 -1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.408 7.685 -1.062 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.621 9.326 -1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.881 7.971 -2.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.025 8.700 -3.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.133 7.042 -3.476 1.00 0.00 H new ATOM 1176 N GLN A 80 10.140 8.658 -2.917 1.00 0.00 N ATOM 1177 CA GLN A 80 11.507 9.166 -2.904 1.00 0.00 C ATOM 1178 C GLN A 80 12.409 8.323 -3.799 1.00 0.00 C ATOM 1179 O GLN A 80 12.628 7.140 -3.538 1.00 0.00 O ATOM 1180 CB GLN A 80 12.055 9.179 -1.476 1.00 0.00 C ATOM 1181 CG GLN A 80 11.453 10.269 -0.603 1.00 0.00 C ATOM 1182 CD GLN A 80 11.368 11.605 -1.314 1.00 0.00 C ATOM 1183 OE1 GLN A 80 12.321 12.384 -1.312 1.00 0.00 O ATOM 1184 NE2 GLN A 80 10.222 11.878 -1.928 1.00 0.00 N ATOM 0 H GLN A 80 9.742 8.495 -1.992 1.00 0.00 H new ATOM 0 HA GLN A 80 11.493 10.185 -3.290 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.866 8.210 -1.014 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.137 9.310 -1.512 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.455 9.966 -0.286 1.00 0.00 H new ATOM 0 HG3 GLN A 80 12.054 10.380 0.300 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.457 11.203 -1.904 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.107 12.762 -2.423 1.00 0.00 H new ATOM 1193 N ARG A 81 12.928 8.939 -4.856 1.00 0.00 N ATOM 1194 CA ARG A 81 13.805 8.245 -5.791 1.00 0.00 C ATOM 1195 C ARG A 81 15.264 8.365 -5.360 1.00 0.00 C ATOM 1196 O ARG A 81 16.078 7.483 -5.634 1.00 0.00 O ATOM 1197 CB ARG A 81 13.631 8.810 -7.202 1.00 0.00 C ATOM 1198 CG ARG A 81 13.875 7.788 -8.301 1.00 0.00 C ATOM 1199 CD ARG A 81 15.349 7.702 -8.664 1.00 0.00 C ATOM 1200 NE ARG A 81 15.711 8.651 -9.713 1.00 0.00 N ATOM 1201 CZ ARG A 81 16.214 9.857 -9.472 1.00 0.00 C ATOM 1202 NH1 ARG A 81 16.412 10.258 -8.224 1.00 0.00 N ATOM 1203 NH2 ARG A 81 16.519 10.664 -10.480 1.00 0.00 N ATOM 0 H ARG A 81 12.756 9.918 -5.086 1.00 0.00 H new ATOM 0 HA ARG A 81 13.530 7.190 -5.793 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.621 9.206 -7.304 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.317 9.647 -7.337 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.522 6.810 -7.975 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.297 8.057 -9.185 1.00 0.00 H new ATOM 0 HD2 ARG A 81 15.952 7.895 -7.777 1.00 0.00 H new ATOM 0 HD3 ARG A 81 15.582 6.690 -8.995 1.00 0.00 H new ATOM 0 HE ARG A 81 15.570 8.373 -10.684 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.178 9.640 -7.447 1.00 0.00 H new ATOM 0 HH12 ARG A 81 16.798 11.184 -8.041 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.367 10.359 -11.441 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.905 11.590 -10.293 1.00 0.00 H new ATOM 1217 N TYR A 82 15.587 9.463 -4.685 1.00 0.00 N ATOM 1218 CA TYR A 82 16.948 9.700 -4.219 1.00 0.00 C ATOM 1219 C TYR A 82 16.948 10.525 -2.935 1.00 0.00 C ATOM 1220 O TYR A 82 15.952 11.163 -2.594 1.00 0.00 O ATOM 1221 CB TYR A 82 17.762 10.416 -5.298 1.00 0.00 C ATOM 1222 CG TYR A 82 17.388 11.871 -5.474 1.00 0.00 C ATOM 1223 CD1 TYR A 82 16.192 12.232 -6.082 1.00 0.00 C ATOM 1224 CD2 TYR A 82 18.229 12.883 -5.030 1.00 0.00 C ATOM 1225 CE1 TYR A 82 15.847 13.560 -6.245 1.00 0.00 C ATOM 1226 CE2 TYR A 82 17.891 14.214 -5.188 1.00 0.00 C ATOM 1227 CZ TYR A 82 16.699 14.547 -5.796 1.00 0.00 C ATOM 1228 OH TYR A 82 16.358 15.870 -5.956 1.00 0.00 O ATOM 0 H TYR A 82 14.925 10.202 -4.449 1.00 0.00 H new ATOM 0 HA TYR A 82 17.406 8.734 -4.009 1.00 0.00 H new ATOM 0 HB2 TYR A 82 18.821 10.350 -5.047 1.00 0.00 H new ATOM 0 HB3 TYR A 82 17.627 9.897 -6.247 1.00 0.00 H new ATOM 0 HD1 TYR A 82 15.521 11.462 -6.433 1.00 0.00 H new ATOM 0 HD2 TYR A 82 19.163 12.626 -4.553 1.00 0.00 H new ATOM 0 HE1 TYR A 82 14.915 13.824 -6.722 1.00 0.00 H new ATOM 0 HE2 TYR A 82 18.557 14.989 -4.837 1.00 0.00 H new ATOM 0 HH TYR A 82 17.066 16.437 -5.585 1.00 0.00 H new ATOM 1238 N TYR A 83 18.073 10.508 -2.229 1.00 0.00 N ATOM 1239 CA TYR A 83 18.204 11.252 -0.982 1.00 0.00 C ATOM 1240 C TYR A 83 19.556 11.955 -0.907 1.00 0.00 C ATOM 1241 O TYR A 83 20.598 11.354 -1.166 1.00 0.00 O ATOM 1242 CB TYR A 83 18.037 10.315 0.216 1.00 0.00 C ATOM 1243 CG TYR A 83 17.973 11.035 1.544 1.00 0.00 C ATOM 1244 CD1 TYR A 83 19.113 11.596 2.108 1.00 0.00 C ATOM 1245 CD2 TYR A 83 16.774 11.155 2.234 1.00 0.00 C ATOM 1246 CE1 TYR A 83 19.059 12.253 3.321 1.00 0.00 C ATOM 1247 CE2 TYR A 83 16.710 11.812 3.447 1.00 0.00 C ATOM 1248 CZ TYR A 83 17.856 12.359 3.987 1.00 0.00 C ATOM 1249 OH TYR A 83 17.798 13.015 5.195 1.00 0.00 O ATOM 0 H TYR A 83 18.907 9.987 -2.499 1.00 0.00 H new ATOM 0 HA TYR A 83 17.419 12.008 -0.956 1.00 0.00 H new ATOM 0 HB2 TYR A 83 17.126 9.730 0.085 1.00 0.00 H new ATOM 0 HB3 TYR A 83 18.868 9.610 0.234 1.00 0.00 H new ATOM 0 HD1 TYR A 83 20.057 11.517 1.589 1.00 0.00 H new ATOM 0 HD2 TYR A 83 15.876 10.727 1.815 1.00 0.00 H new ATOM 0 HE1 TYR A 83 19.954 12.682 3.746 1.00 0.00 H new ATOM 0 HE2 TYR A 83 15.769 11.897 3.970 1.00 0.00 H new ATOM 0 HH TYR A 83 16.877 13.001 5.531 1.00 0.00 H new ATOM 1259 N THR A 84 19.530 13.235 -0.549 1.00 0.00 N ATOM 1260 CA THR A 84 20.751 14.023 -0.439 1.00 0.00 C ATOM 1261 C THR A 84 21.224 14.106 1.008 1.00 0.00 C ATOM 1262 O THR A 84 20.678 14.868 1.806 1.00 0.00 O ATOM 1263 CB THR A 84 20.551 15.450 -0.984 1.00 0.00 C ATOM 1264 OG1 THR A 84 20.164 15.398 -2.362 1.00 0.00 O ATOM 1265 CG2 THR A 84 21.825 16.268 -0.840 1.00 0.00 C ATOM 0 H THR A 84 18.676 13.748 -0.330 1.00 0.00 H new ATOM 0 HA THR A 84 21.508 13.516 -1.038 1.00 0.00 H new ATOM 0 HB THR A 84 19.763 15.930 -0.404 1.00 0.00 H new ATOM 0 HG1 THR A 84 20.037 16.309 -2.701 1.00 0.00 H new ATOM 0 HG21 THR A 84 21.659 17.272 -1.232 1.00 0.00 H new ATOM 0 HG22 THR A 84 22.100 16.330 0.213 1.00 0.00 H new ATOM 0 HG23 THR A 84 22.630 15.789 -1.398 1.00 0.00 H new ATOM 1273 N ILE A 85 22.242 13.318 1.339 1.00 0.00 N ATOM 1274 CA ILE A 85 22.789 13.305 2.690 1.00 0.00 C ATOM 1275 C ILE A 85 23.787 14.440 2.890 1.00 0.00 C ATOM 1276 O ILE A 85 24.867 14.440 2.301 1.00 0.00 O ATOM 1277 CB ILE A 85 23.482 11.966 3.003 1.00 0.00 C ATOM 1278 CG1 ILE A 85 22.540 10.797 2.705 1.00 0.00 C ATOM 1279 CG2 ILE A 85 23.935 11.931 4.455 1.00 0.00 C ATOM 1280 CD1 ILE A 85 23.237 9.455 2.662 1.00 0.00 C ATOM 0 H ILE A 85 22.704 12.681 0.690 1.00 0.00 H new ATOM 0 HA ILE A 85 21.949 13.439 3.372 1.00 0.00 H new ATOM 0 HB ILE A 85 24.361 11.871 2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 85 21.759 10.767 3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 85 22.048 10.972 1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 85 24.423 10.978 4.661 1.00 0.00 H new ATOM 0 HG22 ILE A 85 24.637 12.745 4.637 1.00 0.00 H new ATOM 0 HG23 ILE A 85 23.070 12.045 5.109 1.00 0.00 H new ATOM 0 HD11 ILE A 85 22.509 8.673 2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 85 23.999 9.466 1.883 1.00 0.00 H new ATOM 0 HD13 ILE A 85 23.706 9.258 3.626 1.00 0.00 H new ATOM 1292 N GLU A 86 23.417 15.405 3.727 1.00 0.00 N ATOM 1293 CA GLU A 86 24.282 16.546 4.005 1.00 0.00 C ATOM 1294 C GLU A 86 24.803 16.496 5.439 1.00 0.00 C ATOM 1295 O GLU A 86 24.441 15.610 6.212 1.00 0.00 O ATOM 1296 CB GLU A 86 23.526 17.855 3.771 1.00 0.00 C ATOM 1297 CG GLU A 86 23.037 18.029 2.343 1.00 0.00 C ATOM 1298 CD GLU A 86 22.100 19.211 2.186 1.00 0.00 C ATOM 1299 OE1 GLU A 86 22.434 20.303 2.692 1.00 0.00 O ATOM 1300 OE2 GLU A 86 21.033 19.044 1.559 1.00 0.00 O ATOM 0 H GLU A 86 22.526 15.419 4.223 1.00 0.00 H new ATOM 0 HA GLU A 86 25.133 16.500 3.325 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.671 17.897 4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 86 24.176 18.691 4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 86 23.894 18.160 1.683 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.526 17.120 2.025 1.00 0.00 H new ATOM 1307 N ASN A 87 25.657 17.454 5.785 1.00 0.00 N ATOM 1308 CA ASN A 87 26.229 17.520 7.125 1.00 0.00 C ATOM 1309 C ASN A 87 27.186 16.356 7.365 1.00 0.00 C ATOM 1310 O ASN A 87 27.130 15.696 8.404 1.00 0.00 O ATOM 1311 CB ASN A 87 25.119 17.508 8.178 1.00 0.00 C ATOM 1312 CG ASN A 87 24.016 18.501 7.866 1.00 0.00 C ATOM 1313 OD1 ASN A 87 24.073 19.659 8.279 1.00 0.00 O ATOM 1314 ND2 ASN A 87 23.004 18.050 7.134 1.00 0.00 N ATOM 0 H ASN A 87 25.968 18.195 5.156 1.00 0.00 H new ATOM 0 HA ASN A 87 26.789 18.451 7.209 1.00 0.00 H new ATOM 0 HB2 ASN A 87 24.695 16.506 8.243 1.00 0.00 H new ATOM 0 HB3 ASN A 87 25.546 17.738 9.154 1.00 0.00 H new ATOM 0 HD21 ASN A 87 22.232 18.672 6.893 1.00 0.00 H new ATOM 0 HD22 ASN A 87 22.998 17.082 6.813 1.00 0.00 H new ATOM 1321 N LEU A 88 28.063 16.109 6.399 1.00 0.00 N ATOM 1322 CA LEU A 88 29.033 15.025 6.505 1.00 0.00 C ATOM 1323 C LEU A 88 30.456 15.571 6.559 1.00 0.00 C ATOM 1324 O LEU A 88 30.673 16.779 6.459 1.00 0.00 O ATOM 1325 CB LEU A 88 28.887 14.066 5.321 1.00 0.00 C ATOM 1326 CG LEU A 88 27.533 13.369 5.185 1.00 0.00 C ATOM 1327 CD1 LEU A 88 27.489 12.532 3.917 1.00 0.00 C ATOM 1328 CD2 LEU A 88 27.252 12.506 6.407 1.00 0.00 C ATOM 0 H LEU A 88 28.123 16.645 5.533 1.00 0.00 H new ATOM 0 HA LEU A 88 28.836 14.483 7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 88 29.081 14.621 4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 88 29.660 13.302 5.401 1.00 0.00 H new ATOM 0 HG LEU A 88 26.758 14.132 5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 88 26.518 12.043 3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 88 27.644 13.175 3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 88 28.274 11.776 3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 88 26.284 12.018 6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 88 28.031 11.750 6.505 1.00 0.00 H new ATOM 0 HD23 LEU A 88 27.239 13.132 7.299 1.00 0.00 H new ATOM 1340 N ASP A 89 31.423 14.673 6.715 1.00 0.00 N ATOM 1341 CA ASP A 89 32.827 15.064 6.779 1.00 0.00 C ATOM 1342 C ASP A 89 33.535 14.763 5.462 1.00 0.00 C ATOM 1343 O ASP A 89 33.573 13.624 4.996 1.00 0.00 O ATOM 1344 CB ASP A 89 33.528 14.339 7.928 1.00 0.00 C ATOM 1345 CG ASP A 89 33.219 14.957 9.278 1.00 0.00 C ATOM 1346 OD1 ASP A 89 32.128 15.547 9.423 1.00 0.00 O ATOM 1347 OD2 ASP A 89 34.068 14.852 10.188 1.00 0.00 O ATOM 0 H ASP A 89 31.260 13.670 6.799 1.00 0.00 H new ATOM 0 HA ASP A 89 32.872 16.138 6.957 1.00 0.00 H new ATOM 0 HB2 ASP A 89 33.224 13.292 7.933 1.00 0.00 H new ATOM 0 HB3 ASP A 89 34.605 14.357 7.762 1.00 0.00 H new ATOM 1352 N PRO A 90 34.111 15.806 4.847 1.00 0.00 N ATOM 1353 CA PRO A 90 34.828 15.678 3.575 1.00 0.00 C ATOM 1354 C PRO A 90 36.141 14.917 3.724 1.00 0.00 C ATOM 1355 O PRO A 90 36.789 14.977 4.769 1.00 0.00 O ATOM 1356 CB PRO A 90 35.095 17.130 3.170 1.00 0.00 C ATOM 1357 CG PRO A 90 35.097 17.887 4.453 1.00 0.00 C ATOM 1358 CD PRO A 90 34.106 17.192 5.345 1.00 0.00 C ATOM 0 HA PRO A 90 34.254 15.114 2.839 1.00 0.00 H new ATOM 0 HB2 PRO A 90 36.049 17.227 2.651 1.00 0.00 H new ATOM 0 HB3 PRO A 90 34.325 17.500 2.493 1.00 0.00 H new ATOM 0 HG2 PRO A 90 36.090 17.891 4.902 1.00 0.00 H new ATOM 0 HG3 PRO A 90 34.815 18.928 4.293 1.00 0.00 H new ATOM 0 HD2 PRO A 90 34.403 17.244 6.392 1.00 0.00 H new ATOM 0 HD3 PRO A 90 33.116 17.641 5.272 1.00 0.00 H new ATOM 1366 N SER A 91 36.528 14.202 2.673 1.00 0.00 N ATOM 1367 CA SER A 91 37.763 13.426 2.689 1.00 0.00 C ATOM 1368 C SER A 91 37.603 12.168 3.537 1.00 0.00 C ATOM 1369 O SER A 91 38.490 11.814 4.314 1.00 0.00 O ATOM 1370 CB SER A 91 38.917 14.275 3.226 1.00 0.00 C ATOM 1371 OG SER A 91 40.169 13.736 2.841 1.00 0.00 O ATOM 0 H SER A 91 36.005 14.144 1.800 1.00 0.00 H new ATOM 0 HA SER A 91 37.988 13.126 1.666 1.00 0.00 H new ATOM 0 HB2 SER A 91 38.826 15.295 2.853 1.00 0.00 H new ATOM 0 HB3 SER A 91 38.859 14.327 4.313 1.00 0.00 H new ATOM 0 HG SER A 91 40.234 12.808 3.148 1.00 0.00 H new ATOM 1377 N SER A 92 36.466 11.498 3.383 1.00 0.00 N ATOM 1378 CA SER A 92 36.187 10.282 4.137 1.00 0.00 C ATOM 1379 C SER A 92 35.321 9.324 3.323 1.00 0.00 C ATOM 1380 O SER A 92 34.606 9.739 2.411 1.00 0.00 O ATOM 1381 CB SER A 92 35.489 10.623 5.455 1.00 0.00 C ATOM 1382 OG SER A 92 36.325 11.409 6.286 1.00 0.00 O ATOM 0 H SER A 92 35.723 11.777 2.743 1.00 0.00 H new ATOM 0 HA SER A 92 37.136 9.792 4.353 1.00 0.00 H new ATOM 0 HB2 SER A 92 34.563 11.162 5.251 1.00 0.00 H new ATOM 0 HB3 SER A 92 35.216 9.704 5.974 1.00 0.00 H new ATOM 0 HG SER A 92 35.856 11.615 7.121 1.00 0.00 H new ATOM 1388 N HIS A 93 35.393 8.040 3.660 1.00 0.00 N ATOM 1389 CA HIS A 93 34.616 7.022 2.962 1.00 0.00 C ATOM 1390 C HIS A 93 33.368 6.651 3.757 1.00 0.00 C ATOM 1391 O HIS A 93 33.455 6.263 4.922 1.00 0.00 O ATOM 1392 CB HIS A 93 35.469 5.777 2.718 1.00 0.00 C ATOM 1393 CG HIS A 93 34.666 4.552 2.406 1.00 0.00 C ATOM 1394 ND1 HIS A 93 35.049 3.284 2.787 1.00 0.00 N ATOM 1395 CD2 HIS A 93 33.493 4.407 1.746 1.00 0.00 C ATOM 1396 CE1 HIS A 93 34.148 2.411 2.373 1.00 0.00 C ATOM 1397 NE2 HIS A 93 33.193 3.067 1.739 1.00 0.00 N ATOM 0 H HIS A 93 35.981 7.680 4.412 1.00 0.00 H new ATOM 0 HA HIS A 93 34.304 7.433 2.002 1.00 0.00 H new ATOM 0 HB2 HIS A 93 36.154 5.972 1.893 1.00 0.00 H new ATOM 0 HB3 HIS A 93 36.079 5.586 3.601 1.00 0.00 H new ATOM 0 HD2 HIS A 93 32.903 5.198 1.307 1.00 0.00 H new ATOM 0 HE1 HIS A 93 34.186 1.343 2.527 1.00 0.00 H new ATOM 0 HE2 HIS A 93 32.367 2.647 1.313 1.00 0.00 H new ATOM 1406 N TYR A 94 32.209 6.773 3.120 1.00 0.00 N ATOM 1407 CA TYR A 94 30.943 6.453 3.769 1.00 0.00 C ATOM 1408 C TYR A 94 30.252 5.286 3.070 1.00 0.00 C ATOM 1409 O TYR A 94 30.026 5.317 1.860 1.00 0.00 O ATOM 1410 CB TYR A 94 30.024 7.676 3.773 1.00 0.00 C ATOM 1411 CG TYR A 94 30.452 8.751 4.746 1.00 0.00 C ATOM 1412 CD1 TYR A 94 31.439 9.669 4.408 1.00 0.00 C ATOM 1413 CD2 TYR A 94 29.869 8.851 6.003 1.00 0.00 C ATOM 1414 CE1 TYR A 94 31.834 10.653 5.294 1.00 0.00 C ATOM 1415 CE2 TYR A 94 30.256 9.832 6.895 1.00 0.00 C ATOM 1416 CZ TYR A 94 31.239 10.730 6.536 1.00 0.00 C ATOM 1417 OH TYR A 94 31.628 11.710 7.421 1.00 0.00 O ATOM 0 H TYR A 94 32.120 7.091 2.155 1.00 0.00 H new ATOM 0 HA TYR A 94 31.155 6.163 4.798 1.00 0.00 H new ATOM 0 HB2 TYR A 94 29.991 8.099 2.769 1.00 0.00 H new ATOM 0 HB3 TYR A 94 29.011 7.358 4.018 1.00 0.00 H new ATOM 0 HD1 TYR A 94 31.906 9.612 3.436 1.00 0.00 H new ATOM 0 HD2 TYR A 94 29.099 8.149 6.288 1.00 0.00 H new ATOM 0 HE1 TYR A 94 32.604 11.357 5.016 1.00 0.00 H new ATOM 0 HE2 TYR A 94 29.791 9.895 7.868 1.00 0.00 H new ATOM 0 HH TYR A 94 31.111 11.627 8.249 1.00 0.00 H new ATOM 1427 N VAL A 95 29.917 4.257 3.841 1.00 0.00 N ATOM 1428 CA VAL A 95 29.250 3.079 3.298 1.00 0.00 C ATOM 1429 C VAL A 95 27.738 3.268 3.271 1.00 0.00 C ATOM 1430 O VAL A 95 27.081 3.246 4.312 1.00 0.00 O ATOM 1431 CB VAL A 95 29.584 1.818 4.117 1.00 0.00 C ATOM 1432 CG1 VAL A 95 28.830 0.613 3.573 1.00 0.00 C ATOM 1433 CG2 VAL A 95 31.084 1.563 4.114 1.00 0.00 C ATOM 0 H VAL A 95 30.096 4.215 4.844 1.00 0.00 H new ATOM 0 HA VAL A 95 29.615 2.949 2.279 1.00 0.00 H new ATOM 0 HB VAL A 95 29.268 1.981 5.147 1.00 0.00 H new ATOM 0 HG11 VAL A 95 29.078 -0.269 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 95 27.757 0.798 3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 95 29.114 0.445 2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 95 31.302 0.668 4.697 1.00 0.00 H new ATOM 0 HG22 VAL A 95 31.427 1.421 3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 95 31.599 2.417 4.553 1.00 0.00 H new ATOM 1443 N ILE A 96 27.192 3.454 2.074 1.00 0.00 N ATOM 1444 CA ILE A 96 25.756 3.645 1.912 1.00 0.00 C ATOM 1445 C ILE A 96 25.060 2.329 1.581 1.00 0.00 C ATOM 1446 O ILE A 96 25.541 1.549 0.758 1.00 0.00 O ATOM 1447 CB ILE A 96 25.446 4.669 0.804 1.00 0.00 C ATOM 1448 CG1 ILE A 96 25.966 6.053 1.199 1.00 0.00 C ATOM 1449 CG2 ILE A 96 23.951 4.717 0.530 1.00 0.00 C ATOM 1450 CD1 ILE A 96 27.391 6.311 0.762 1.00 0.00 C ATOM 0 H ILE A 96 27.722 3.476 1.203 1.00 0.00 H new ATOM 0 HA ILE A 96 25.379 4.024 2.862 1.00 0.00 H new ATOM 0 HB ILE A 96 25.953 4.358 -0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 96 25.318 6.814 0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 96 25.901 6.161 2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 96 23.748 5.445 -0.255 1.00 0.00 H new ATOM 0 HG22 ILE A 96 23.608 3.733 0.210 1.00 0.00 H new ATOM 0 HG23 ILE A 96 23.424 5.007 1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 96 27.692 7.310 1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 96 28.051 5.573 1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 96 27.458 6.236 -0.323 1.00 0.00 H new ATOM 1462 N THR A 97 23.923 2.088 2.226 1.00 0.00 N ATOM 1463 CA THR A 97 23.160 0.868 2.001 1.00 0.00 C ATOM 1464 C THR A 97 21.701 1.181 1.689 1.00 0.00 C ATOM 1465 O THR A 97 21.211 2.270 1.990 1.00 0.00 O ATOM 1466 CB THR A 97 23.222 -0.068 3.223 1.00 0.00 C ATOM 1467 OG1 THR A 97 22.804 0.635 4.399 1.00 0.00 O ATOM 1468 CG2 THR A 97 24.631 -0.606 3.422 1.00 0.00 C ATOM 0 H THR A 97 23.510 2.723 2.909 1.00 0.00 H new ATOM 0 HA THR A 97 23.612 0.367 1.145 1.00 0.00 H new ATOM 0 HB THR A 97 22.551 -0.908 3.044 1.00 0.00 H new ATOM 0 HG1 THR A 97 22.845 0.033 5.172 1.00 0.00 H new ATOM 0 HG21 THR A 97 24.650 -1.264 4.291 1.00 0.00 H new ATOM 0 HG22 THR A 97 24.936 -1.164 2.537 1.00 0.00 H new ATOM 0 HG23 THR A 97 25.319 0.225 3.581 1.00 0.00 H new ATOM 1476 N LEU A 98 21.011 0.220 1.084 1.00 0.00 N ATOM 1477 CA LEU A 98 19.606 0.394 0.731 1.00 0.00 C ATOM 1478 C LEU A 98 18.867 -0.940 0.765 1.00 0.00 C ATOM 1479 O LEU A 98 19.336 -1.936 0.212 1.00 0.00 O ATOM 1480 CB LEU A 98 19.482 1.023 -0.657 1.00 0.00 C ATOM 1481 CG LEU A 98 18.059 1.269 -1.159 1.00 0.00 C ATOM 1482 CD1 LEU A 98 17.530 2.595 -0.636 1.00 0.00 C ATOM 1483 CD2 LEU A 98 18.016 1.237 -2.680 1.00 0.00 C ATOM 0 H LEU A 98 21.401 -0.687 0.828 1.00 0.00 H new ATOM 0 HA LEU A 98 19.152 1.059 1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 98 20.013 1.975 -0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 98 19.992 0.378 -1.373 1.00 0.00 H new ATOM 0 HG LEU A 98 17.419 0.472 -0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 98 16.516 2.753 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 98 17.522 2.579 0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 98 18.172 3.405 -0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 98 16.995 1.414 -3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 98 18.670 2.012 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 98 18.352 0.262 -3.033 1.00 0.00 H new ATOM 1495 N LYS A 99 17.709 -0.953 1.415 1.00 0.00 N ATOM 1496 CA LYS A 99 16.902 -2.163 1.518 1.00 0.00 C ATOM 1497 C LYS A 99 15.416 -1.838 1.409 1.00 0.00 C ATOM 1498 O LYS A 99 14.924 -0.916 2.060 1.00 0.00 O ATOM 1499 CB LYS A 99 17.183 -2.877 2.843 1.00 0.00 C ATOM 1500 CG LYS A 99 16.631 -2.148 4.055 1.00 0.00 C ATOM 1501 CD LYS A 99 16.770 -2.981 5.318 1.00 0.00 C ATOM 1502 CE LYS A 99 18.079 -2.690 6.037 1.00 0.00 C ATOM 1503 NZ LYS A 99 18.066 -1.353 6.692 1.00 0.00 N ATOM 0 H LYS A 99 17.308 -0.138 1.879 1.00 0.00 H new ATOM 0 HA LYS A 99 17.173 -2.821 0.692 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.754 -3.878 2.805 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.260 -2.996 2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.157 -1.202 4.182 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.581 -1.909 3.890 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.933 -2.774 5.985 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.721 -4.040 5.064 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.261 -3.460 6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.903 -2.738 5.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.632 -1.388 7.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.469 -0.646 6.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.087 -1.090 6.925 1.00 0.00 H new ATOM 1517 N ALA A 100 14.707 -2.601 0.584 1.00 0.00 N ATOM 1518 CA ALA A 100 13.276 -2.395 0.393 1.00 0.00 C ATOM 1519 C ALA A 100 12.466 -3.216 1.390 1.00 0.00 C ATOM 1520 O ALA A 100 12.666 -4.424 1.523 1.00 0.00 O ATOM 1521 CB ALA A 100 12.878 -2.748 -1.032 1.00 0.00 C ATOM 0 H ALA A 100 15.100 -3.367 0.037 1.00 0.00 H new ATOM 0 HA ALA A 100 13.058 -1.341 0.568 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.807 -2.590 -1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.425 -2.114 -1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.116 -3.793 -1.228 1.00 0.00 H new ATOM 1527 N PHE A 101 11.550 -2.554 2.089 1.00 0.00 N ATOM 1528 CA PHE A 101 10.710 -3.223 3.076 1.00 0.00 C ATOM 1529 C PHE A 101 9.259 -2.767 2.954 1.00 0.00 C ATOM 1530 O PHE A 101 8.986 -1.602 2.666 1.00 0.00 O ATOM 1531 CB PHE A 101 11.227 -2.946 4.489 1.00 0.00 C ATOM 1532 CG PHE A 101 11.012 -1.529 4.938 1.00 0.00 C ATOM 1533 CD1 PHE A 101 11.832 -0.511 4.480 1.00 0.00 C ATOM 1534 CD2 PHE A 101 9.989 -1.215 5.819 1.00 0.00 C ATOM 1535 CE1 PHE A 101 11.637 0.794 4.892 1.00 0.00 C ATOM 1536 CE2 PHE A 101 9.789 0.088 6.235 1.00 0.00 C ATOM 1537 CZ PHE A 101 10.613 1.094 5.770 1.00 0.00 C ATOM 0 H PHE A 101 11.370 -1.555 1.990 1.00 0.00 H new ATOM 0 HA PHE A 101 10.752 -4.295 2.885 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.731 -3.620 5.188 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.292 -3.174 4.529 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.633 -0.740 3.793 1.00 0.00 H new ATOM 0 HD2 PHE A 101 9.341 -1.997 6.185 1.00 0.00 H new ATOM 0 HE1 PHE A 101 12.284 1.578 4.528 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.989 0.319 6.923 1.00 0.00 H new ATOM 0 HZ PHE A 101 10.457 2.113 6.092 1.00 0.00 H new ATOM 1547 N ASN A 102 8.333 -3.694 3.175 1.00 0.00 N ATOM 1548 CA ASN A 102 6.909 -3.388 3.089 1.00 0.00 C ATOM 1549 C ASN A 102 6.168 -3.899 4.321 1.00 0.00 C ATOM 1550 O ASN A 102 6.780 -4.404 5.261 1.00 0.00 O ATOM 1551 CB ASN A 102 6.309 -4.007 1.825 1.00 0.00 C ATOM 1552 CG ASN A 102 6.303 -5.523 1.871 1.00 0.00 C ATOM 1553 OD1 ASN A 102 6.899 -6.131 2.760 1.00 0.00 O ATOM 1554 ND2 ASN A 102 5.626 -6.141 0.910 1.00 0.00 N ATOM 0 H ASN A 102 8.542 -4.663 3.415 1.00 0.00 H new ATOM 0 HA ASN A 102 6.797 -2.305 3.043 1.00 0.00 H new ATOM 0 HB2 ASN A 102 5.289 -3.646 1.696 1.00 0.00 H new ATOM 0 HB3 ASN A 102 6.877 -3.675 0.956 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.585 -7.160 0.889 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.147 -5.597 0.193 1.00 0.00 H new ATOM 1561 N ASN A 103 4.846 -3.763 4.308 1.00 0.00 N ATOM 1562 CA ASN A 103 4.020 -4.210 5.423 1.00 0.00 C ATOM 1563 C ASN A 103 4.465 -5.585 5.912 1.00 0.00 C ATOM 1564 O ASN A 103 4.399 -5.883 7.105 1.00 0.00 O ATOM 1565 CB ASN A 103 2.548 -4.256 5.009 1.00 0.00 C ATOM 1566 CG ASN A 103 2.252 -5.391 4.049 1.00 0.00 C ATOM 1567 OD1 ASN A 103 2.895 -5.520 3.006 1.00 0.00 O ATOM 1568 ND2 ASN A 103 1.276 -6.221 4.396 1.00 0.00 N ATOM 0 H ASN A 103 4.324 -3.347 3.537 1.00 0.00 H new ATOM 0 HA ASN A 103 4.139 -3.497 6.239 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.927 -4.365 5.898 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.275 -3.309 4.543 1.00 0.00 H new ATOM 0 HD21 ASN A 103 1.032 -7.004 3.789 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.770 -6.076 5.270 1.00 0.00 H new ATOM 1575 N VAL A 104 4.919 -6.419 4.982 1.00 0.00 N ATOM 1576 CA VAL A 104 5.377 -7.762 5.318 1.00 0.00 C ATOM 1577 C VAL A 104 6.701 -7.719 6.073 1.00 0.00 C ATOM 1578 O VAL A 104 6.871 -8.391 7.089 1.00 0.00 O ATOM 1579 CB VAL A 104 5.546 -8.629 4.057 1.00 0.00 C ATOM 1580 CG1 VAL A 104 5.867 -10.067 4.436 1.00 0.00 C ATOM 1581 CG2 VAL A 104 4.295 -8.563 3.194 1.00 0.00 C ATOM 0 H VAL A 104 4.979 -6.188 3.990 1.00 0.00 H new ATOM 0 HA VAL A 104 4.613 -8.206 5.956 1.00 0.00 H new ATOM 0 HB VAL A 104 6.381 -8.237 3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.983 -10.664 3.532 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.793 -10.094 5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.055 -10.474 5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.432 -9.182 2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.441 -8.929 3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.115 -7.531 2.893 1.00 0.00 H new ATOM 1591 N GLY A 105 7.638 -6.921 5.568 1.00 0.00 N ATOM 1592 CA GLY A 105 8.936 -6.804 6.207 1.00 0.00 C ATOM 1593 C GLY A 105 10.004 -6.295 5.260 1.00 0.00 C ATOM 1594 O GLY A 105 9.698 -5.820 4.167 1.00 0.00 O ATOM 0 H GLY A 105 7.521 -6.354 4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.859 -6.129 7.059 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.235 -7.777 6.597 1.00 0.00 H new ATOM 1598 N GLU A 106 11.261 -6.393 5.681 1.00 0.00 N ATOM 1599 CA GLU A 106 12.378 -5.936 4.863 1.00 0.00 C ATOM 1600 C GLU A 106 13.111 -7.117 4.233 1.00 0.00 C ATOM 1601 O GLU A 106 12.985 -8.253 4.687 1.00 0.00 O ATOM 1602 CB GLU A 106 13.351 -5.108 5.705 1.00 0.00 C ATOM 1603 CG GLU A 106 13.937 -5.870 6.882 1.00 0.00 C ATOM 1604 CD GLU A 106 15.209 -6.612 6.523 1.00 0.00 C ATOM 1605 OE1 GLU A 106 16.280 -5.972 6.486 1.00 0.00 O ATOM 1606 OE2 GLU A 106 15.132 -7.835 6.278 1.00 0.00 O ATOM 0 H GLU A 106 11.531 -6.785 6.583 1.00 0.00 H new ATOM 0 HA GLU A 106 11.978 -5.311 4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.164 -4.759 5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.835 -4.223 6.077 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.145 -5.173 7.694 1.00 0.00 H new ATOM 0 HG3 GLU A 106 13.199 -6.581 7.253 1.00 0.00 H new ATOM 1613 N GLY A 107 13.877 -6.839 3.183 1.00 0.00 N ATOM 1614 CA GLY A 107 14.618 -7.888 2.507 1.00 0.00 C ATOM 1615 C GLY A 107 16.107 -7.816 2.782 1.00 0.00 C ATOM 1616 O GLY A 107 16.527 -7.707 3.934 1.00 0.00 O ATOM 0 H GLY A 107 13.998 -5.906 2.788 1.00 0.00 H new ATOM 0 HA2 GLY A 107 14.239 -8.859 2.826 1.00 0.00 H new ATOM 0 HA3 GLY A 107 14.446 -7.816 1.433 1.00 0.00 H new ATOM 1620 N ILE A 108 16.907 -7.878 1.723 1.00 0.00 N ATOM 1621 CA ILE A 108 18.357 -7.819 1.856 1.00 0.00 C ATOM 1622 C ILE A 108 18.898 -6.473 1.387 1.00 0.00 C ATOM 1623 O ILE A 108 18.671 -6.045 0.255 1.00 0.00 O ATOM 1624 CB ILE A 108 19.042 -8.943 1.056 1.00 0.00 C ATOM 1625 CG1 ILE A 108 18.184 -9.336 -0.149 1.00 0.00 C ATOM 1626 CG2 ILE A 108 19.297 -10.148 1.948 1.00 0.00 C ATOM 1627 CD1 ILE A 108 17.087 -10.322 0.187 1.00 0.00 C ATOM 0 H ILE A 108 16.575 -7.969 0.763 1.00 0.00 H new ATOM 0 HA ILE A 108 18.582 -7.949 2.915 1.00 0.00 H new ATOM 0 HB ILE A 108 20.002 -8.577 0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 108 17.736 -8.438 -0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 108 18.826 -9.767 -0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 108 19.781 -10.934 1.368 1.00 0.00 H new ATOM 0 HG22 ILE A 108 19.943 -9.857 2.776 1.00 0.00 H new ATOM 0 HG23 ILE A 108 18.349 -10.518 2.340 1.00 0.00 H new ATOM 0 HD11 ILE A 108 16.519 -10.555 -0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 108 17.528 -11.236 0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 108 16.422 -9.886 0.932 1.00 0.00 H new ATOM 1639 N PRO A 109 19.634 -5.789 2.276 1.00 0.00 N ATOM 1640 CA PRO A 109 20.226 -4.482 1.975 1.00 0.00 C ATOM 1641 C PRO A 109 21.362 -4.579 0.962 1.00 0.00 C ATOM 1642 O PRO A 109 21.842 -5.671 0.657 1.00 0.00 O ATOM 1643 CB PRO A 109 20.757 -4.012 3.331 1.00 0.00 C ATOM 1644 CG PRO A 109 20.997 -5.266 4.099 1.00 0.00 C ATOM 1645 CD PRO A 109 19.945 -6.238 3.643 1.00 0.00 C ATOM 0 HA PRO A 109 19.503 -3.801 1.526 1.00 0.00 H new ATOM 0 HB2 PRO A 109 21.675 -3.435 3.218 1.00 0.00 H new ATOM 0 HB3 PRO A 109 20.037 -3.369 3.837 1.00 0.00 H new ATOM 0 HG2 PRO A 109 21.997 -5.655 3.908 1.00 0.00 H new ATOM 0 HG3 PRO A 109 20.924 -5.087 5.172 1.00 0.00 H new ATOM 0 HD2 PRO A 109 20.314 -7.264 3.655 1.00 0.00 H new ATOM 0 HD3 PRO A 109 19.065 -6.208 4.286 1.00 0.00 H new ATOM 1653 N LEU A 110 21.787 -3.432 0.446 1.00 0.00 N ATOM 1654 CA LEU A 110 22.869 -3.388 -0.533 1.00 0.00 C ATOM 1655 C LEU A 110 24.128 -2.779 0.075 1.00 0.00 C ATOM 1656 O LEU A 110 24.142 -2.394 1.244 1.00 0.00 O ATOM 1657 CB LEU A 110 22.440 -2.583 -1.760 1.00 0.00 C ATOM 1658 CG LEU A 110 21.433 -3.261 -2.690 1.00 0.00 C ATOM 1659 CD1 LEU A 110 20.655 -2.223 -3.483 1.00 0.00 C ATOM 1660 CD2 LEU A 110 22.142 -4.229 -3.627 1.00 0.00 C ATOM 0 H LEU A 110 21.400 -2.520 0.688 1.00 0.00 H new ATOM 0 HA LEU A 110 23.093 -4.410 -0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 110 22.012 -1.640 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 110 23.331 -2.338 -2.339 1.00 0.00 H new ATOM 0 HG LEU A 110 20.727 -3.826 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 110 19.944 -2.725 -4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.117 -1.569 -2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.346 -1.630 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 110 21.411 -4.703 -4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 110 22.870 -3.685 -4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.654 -4.993 -3.042 1.00 0.00 H new ATOM 1672 N TYR A 111 25.183 -2.692 -0.728 1.00 0.00 N ATOM 1673 CA TYR A 111 26.448 -2.129 -0.269 1.00 0.00 C ATOM 1674 C TYR A 111 27.099 -1.289 -1.364 1.00 0.00 C ATOM 1675 O TYR A 111 27.295 -1.755 -2.485 1.00 0.00 O ATOM 1676 CB TYR A 111 27.399 -3.245 0.165 1.00 0.00 C ATOM 1677 CG TYR A 111 27.197 -3.691 1.596 1.00 0.00 C ATOM 1678 CD1 TYR A 111 26.094 -4.455 1.958 1.00 0.00 C ATOM 1679 CD2 TYR A 111 28.109 -3.348 2.586 1.00 0.00 C ATOM 1680 CE1 TYR A 111 25.905 -4.863 3.264 1.00 0.00 C ATOM 1681 CE2 TYR A 111 27.929 -3.752 3.895 1.00 0.00 C ATOM 1682 CZ TYR A 111 26.825 -4.509 4.229 1.00 0.00 C ATOM 1683 OH TYR A 111 26.641 -4.915 5.531 1.00 0.00 O ATOM 0 H TYR A 111 25.188 -3.004 -1.699 1.00 0.00 H new ATOM 0 HA TYR A 111 26.241 -1.484 0.585 1.00 0.00 H new ATOM 0 HB2 TYR A 111 27.266 -4.102 -0.496 1.00 0.00 H new ATOM 0 HB3 TYR A 111 28.427 -2.904 0.041 1.00 0.00 H new ATOM 0 HD1 TYR A 111 25.372 -4.735 1.205 1.00 0.00 H new ATOM 0 HD2 TYR A 111 28.974 -2.755 2.328 1.00 0.00 H new ATOM 0 HE1 TYR A 111 25.042 -5.456 3.528 1.00 0.00 H new ATOM 0 HE2 TYR A 111 28.648 -3.477 4.652 1.00 0.00 H new ATOM 0 HH TYR A 111 27.379 -4.583 6.084 1.00 0.00 H new ATOM 1693 N GLU A 112 27.431 -0.046 -1.028 1.00 0.00 N ATOM 1694 CA GLU A 112 28.059 0.860 -1.981 1.00 0.00 C ATOM 1695 C GLU A 112 29.221 1.610 -1.335 1.00 0.00 C ATOM 1696 O GLU A 112 29.548 1.384 -0.170 1.00 0.00 O ATOM 1697 CB GLU A 112 27.033 1.857 -2.524 1.00 0.00 C ATOM 1698 CG GLU A 112 26.293 1.360 -3.754 1.00 0.00 C ATOM 1699 CD GLU A 112 27.229 0.819 -4.818 1.00 0.00 C ATOM 1700 OE1 GLU A 112 27.822 1.634 -5.556 1.00 0.00 O ATOM 1701 OE2 GLU A 112 27.367 -0.418 -4.914 1.00 0.00 O ATOM 0 H GLU A 112 27.275 0.356 -0.103 1.00 0.00 H new ATOM 0 HA GLU A 112 28.448 0.264 -2.807 1.00 0.00 H new ATOM 0 HB2 GLU A 112 26.309 2.083 -1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 112 27.540 2.791 -2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 112 25.592 0.579 -3.461 1.00 0.00 H new ATOM 0 HG3 GLU A 112 25.704 2.176 -4.174 1.00 0.00 H new ATOM 1708 N SER A 113 29.840 2.504 -2.100 1.00 0.00 N ATOM 1709 CA SER A 113 30.967 3.284 -1.605 1.00 0.00 C ATOM 1710 C SER A 113 30.913 4.714 -2.134 1.00 0.00 C ATOM 1711 O SER A 113 30.594 4.944 -3.300 1.00 0.00 O ATOM 1712 CB SER A 113 32.288 2.628 -2.013 1.00 0.00 C ATOM 1713 OG SER A 113 32.572 2.861 -3.381 1.00 0.00 O ATOM 0 H SER A 113 29.579 2.706 -3.065 1.00 0.00 H new ATOM 0 HA SER A 113 30.905 3.314 -0.517 1.00 0.00 H new ATOM 0 HB2 SER A 113 33.098 3.021 -1.398 1.00 0.00 H new ATOM 0 HB3 SER A 113 32.238 1.555 -1.826 1.00 0.00 H new ATOM 0 HG SER A 113 33.422 2.433 -3.616 1.00 0.00 H new ATOM 1719 N ALA A 114 31.226 5.671 -1.267 1.00 0.00 N ATOM 1720 CA ALA A 114 31.215 7.079 -1.646 1.00 0.00 C ATOM 1721 C ALA A 114 32.220 7.877 -0.823 1.00 0.00 C ATOM 1722 O ALA A 114 32.044 8.061 0.382 1.00 0.00 O ATOM 1723 CB ALA A 114 29.817 7.658 -1.483 1.00 0.00 C ATOM 0 H ALA A 114 31.490 5.497 -0.297 1.00 0.00 H new ATOM 0 HA ALA A 114 31.506 7.150 -2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 114 29.823 8.710 -1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 114 29.121 7.113 -2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 114 29.505 7.567 -0.443 1.00 0.00 H new ATOM 1729 N VAL A 115 33.274 8.349 -1.480 1.00 0.00 N ATOM 1730 CA VAL A 115 34.308 9.128 -0.809 1.00 0.00 C ATOM 1731 C VAL A 115 34.148 10.617 -1.097 1.00 0.00 C ATOM 1732 O VAL A 115 34.521 11.098 -2.167 1.00 0.00 O ATOM 1733 CB VAL A 115 35.717 8.682 -1.241 1.00 0.00 C ATOM 1734 CG1 VAL A 115 36.779 9.529 -0.556 1.00 0.00 C ATOM 1735 CG2 VAL A 115 35.924 7.206 -0.938 1.00 0.00 C ATOM 0 H VAL A 115 33.435 8.206 -2.477 1.00 0.00 H new ATOM 0 HA VAL A 115 34.192 8.953 0.260 1.00 0.00 H new ATOM 0 HB VAL A 115 35.811 8.826 -2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 115 37.768 9.199 -0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 115 36.641 10.575 -0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 115 36.690 9.420 0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 115 36.925 6.907 -1.250 1.00 0.00 H new ATOM 0 HG22 VAL A 115 35.811 7.035 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 115 35.184 6.616 -1.479 1.00 0.00 H new ATOM 1745 N THR A 116 33.591 11.344 -0.133 1.00 0.00 N ATOM 1746 CA THR A 116 33.380 12.778 -0.283 1.00 0.00 C ATOM 1747 C THR A 116 34.661 13.479 -0.721 1.00 0.00 C ATOM 1748 O THR A 116 35.722 13.280 -0.129 1.00 0.00 O ATOM 1749 CB THR A 116 32.884 13.413 1.030 1.00 0.00 C ATOM 1750 OG1 THR A 116 33.769 13.074 2.104 1.00 0.00 O ATOM 1751 CG2 THR A 116 31.475 12.944 1.360 1.00 0.00 C ATOM 0 H THR A 116 33.278 10.963 0.760 1.00 0.00 H new ATOM 0 HA THR A 116 32.617 12.907 -1.051 1.00 0.00 H new ATOM 0 HB THR A 116 32.869 14.495 0.901 1.00 0.00 H new ATOM 0 HG1 THR A 116 33.339 13.282 2.960 1.00 0.00 H new ATOM 0 HG21 THR A 116 31.147 13.406 2.291 1.00 0.00 H new ATOM 0 HG22 THR A 116 30.798 13.230 0.555 1.00 0.00 H new ATOM 0 HG23 THR A 116 31.469 11.860 1.471 1.00 0.00 H new ATOM 1759 N ARG A 117 34.555 14.301 -1.759 1.00 0.00 N ATOM 1760 CA ARG A 117 35.706 15.032 -2.277 1.00 0.00 C ATOM 1761 C ARG A 117 36.356 15.869 -1.179 1.00 0.00 C ATOM 1762 O ARG A 117 35.713 16.277 -0.212 1.00 0.00 O ATOM 1763 CB ARG A 117 35.285 15.933 -3.439 1.00 0.00 C ATOM 1764 CG ARG A 117 34.969 15.172 -4.716 1.00 0.00 C ATOM 1765 CD ARG A 117 34.334 16.076 -5.761 1.00 0.00 C ATOM 1766 NE ARG A 117 33.911 15.333 -6.944 1.00 0.00 N ATOM 1767 CZ ARG A 117 34.738 14.965 -7.916 1.00 0.00 C ATOM 1768 NH1 ARG A 117 36.026 15.270 -7.846 1.00 0.00 N ATOM 1769 NH2 ARG A 117 34.277 14.290 -8.961 1.00 0.00 N ATOM 0 H ARG A 117 33.684 14.478 -2.259 1.00 0.00 H new ATOM 0 HA ARG A 117 36.435 14.306 -2.636 1.00 0.00 H new ATOM 0 HB2 ARG A 117 34.408 16.508 -3.142 1.00 0.00 H new ATOM 0 HB3 ARG A 117 36.082 16.648 -3.640 1.00 0.00 H new ATOM 0 HG2 ARG A 117 35.884 14.737 -5.118 1.00 0.00 H new ATOM 0 HG3 ARG A 117 34.295 14.345 -4.491 1.00 0.00 H new ATOM 0 HD2 ARG A 117 33.474 16.584 -5.326 1.00 0.00 H new ATOM 0 HD3 ARG A 117 35.046 16.848 -6.053 1.00 0.00 H new ATOM 0 HE ARG A 117 32.926 15.083 -7.029 1.00 0.00 H new ATOM 0 HH11 ARG A 117 36.384 15.789 -7.044 1.00 0.00 H new ATOM 0 HH12 ARG A 117 36.659 14.986 -8.594 1.00 0.00 H new ATOM 0 HH21 ARG A 117 33.287 14.053 -9.019 1.00 0.00 H new ATOM 0 HH22 ARG A 117 34.913 14.008 -9.707 1.00 0.00 H new ATOM 1783 N PRO A 118 37.663 16.131 -1.331 1.00 0.00 N ATOM 1784 CA PRO A 118 38.429 16.922 -0.363 1.00 0.00 C ATOM 1785 C PRO A 118 38.032 18.394 -0.373 1.00 0.00 C ATOM 1786 O PRO A 118 38.420 19.146 -1.268 1.00 0.00 O ATOM 1787 CB PRO A 118 39.876 16.755 -0.834 1.00 0.00 C ATOM 1788 CG PRO A 118 39.768 16.456 -2.289 1.00 0.00 C ATOM 1789 CD PRO A 118 38.493 15.677 -2.459 1.00 0.00 C ATOM 0 HA PRO A 118 38.258 16.589 0.661 1.00 0.00 H new ATOM 0 HB2 PRO A 118 40.457 17.660 -0.658 1.00 0.00 H new ATOM 0 HB3 PRO A 118 40.376 15.947 -0.300 1.00 0.00 H new ATOM 0 HG2 PRO A 118 39.745 17.375 -2.875 1.00 0.00 H new ATOM 0 HG3 PRO A 118 40.626 15.879 -2.634 1.00 0.00 H new ATOM 0 HD2 PRO A 118 38.018 15.887 -3.417 1.00 0.00 H new ATOM 0 HD3 PRO A 118 38.671 14.602 -2.420 1.00 0.00 H new