USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 700 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 65 LYS NZ :NH3+ -133:sc= -0.664 (180deg=-2.13!) USER MOD Set 1.2: A 105 MET CE :methyl -130:sc= 0 (180deg=-0.947) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.361 X(o=-0.36,f=-0.27) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.248 X(o=-0.25,f=-0.52) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.0874 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -39:sc= 0.0311 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 1.07 K(o=1.1,f=-0.12) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 150:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.34 X(o=-1.3,f=-0.85) USER MOD Single : A 70 LYS NZ :NH3+ 147:sc= -0.534 (180deg=-1.76!) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 83 ASN : amide:sc= -0.0176 X(o=-0.018,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.0603 X(o=-0.06,f=-0.06) USER MOD Single : A 87 TYR OH : rot 165:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 89:sc= 0.821 USER MOD Single : A 97 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.1) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.828 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN :FLIP amide:sc= -2.51 F(o=-3.3,f=-2.5) USER MOD Single : A 103 SER OG : rot -169:sc= 0.0403 USER MOD Single : A 106 THR OG1 : rot -41:sc= 0.317 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.587 USER MOD Single : A 114 SER OG : rot -130:sc= -0.0815 USER MOD Single : A 115 ASN : amide:sc= 0.573 K(o=0.57,f=-6.2!) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.347 USER MOD Single : A 124 ASN : amide:sc= -0.0294 K(o=-0.029,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 339 N VAL A 27 -0.395 17.440 9.520 1.00 0.00 N ATOM 340 CA VAL A 27 -0.535 15.998 9.358 1.00 0.00 C ATOM 341 C VAL A 27 -1.421 15.406 10.448 1.00 0.00 C ATOM 342 O VAL A 27 -1.589 15.978 11.525 1.00 0.00 O ATOM 343 CB VAL A 27 0.835 15.295 9.387 1.00 0.00 C ATOM 344 CG1 VAL A 27 1.486 15.335 8.013 1.00 0.00 C ATOM 345 CG2 VAL A 27 1.738 15.932 10.432 1.00 0.00 C ATOM 0 HA VAL A 27 -1.000 15.832 8.386 1.00 0.00 H new ATOM 0 HB VAL A 27 0.682 14.251 9.659 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.453 14.833 8.054 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.845 14.829 7.292 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.628 16.372 7.708 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.702 15.423 10.439 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.885 16.985 10.192 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.275 15.845 11.415 1.00 0.00 H new ATOM 355 N PRO A 28 -2.003 14.231 10.164 1.00 0.00 N ATOM 356 CA PRO A 28 -2.882 13.535 11.109 1.00 0.00 C ATOM 357 C PRO A 28 -2.120 12.980 12.308 1.00 0.00 C ATOM 358 O PRO A 28 -1.181 12.200 12.151 1.00 0.00 O ATOM 359 CB PRO A 28 -3.468 12.394 10.273 1.00 0.00 C ATOM 360 CG PRO A 28 -2.460 12.153 9.202 1.00 0.00 C ATOM 361 CD PRO A 28 -1.848 13.492 8.900 1.00 0.00 C ATOM 0 HA PRO A 28 -3.634 14.201 11.533 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.625 11.501 10.877 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.435 12.668 9.852 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.702 11.443 9.532 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.928 11.729 8.314 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.800 13.400 8.614 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.360 13.991 8.077 1.00 0.00 H new ATOM 369 N SER A 29 -2.532 13.386 13.504 1.00 0.00 N ATOM 370 CA SER A 29 -1.886 12.932 14.730 1.00 0.00 C ATOM 371 C SER A 29 -2.590 11.700 15.290 1.00 0.00 C ATOM 372 O SER A 29 -1.948 10.779 15.794 1.00 0.00 O ATOM 373 CB SER A 29 -1.882 14.050 15.774 1.00 0.00 C ATOM 374 OG SER A 29 -1.361 15.251 15.233 1.00 0.00 O ATOM 0 H SER A 29 -3.310 14.029 13.651 1.00 0.00 H new ATOM 0 HA SER A 29 -0.857 12.664 14.492 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.897 14.220 16.134 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.286 13.746 16.634 1.00 0.00 H new ATOM 0 HG SER A 29 -1.371 15.950 15.919 1.00 0.00 H new ATOM 380 N ALA A 30 -3.916 11.691 15.199 1.00 0.00 N ATOM 381 CA ALA A 30 -4.709 10.572 15.694 1.00 0.00 C ATOM 382 C ALA A 30 -4.648 9.388 14.735 1.00 0.00 C ATOM 383 O ALA A 30 -4.650 9.547 13.514 1.00 0.00 O ATOM 384 CB ALA A 30 -6.152 11.004 15.912 1.00 0.00 C ATOM 0 H ALA A 30 -4.464 12.446 14.787 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.288 10.254 16.648 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.733 10.159 16.282 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.183 11.813 16.642 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.575 11.350 14.969 1.00 0.00 H new ATOM 390 N PRO A 31 -4.590 8.172 15.297 1.00 0.00 N ATOM 391 CA PRO A 31 -4.527 6.938 14.510 1.00 0.00 C ATOM 392 C PRO A 31 -5.835 6.647 13.781 1.00 0.00 C ATOM 393 O PRO A 31 -6.882 7.219 14.084 1.00 0.00 O ATOM 394 CB PRO A 31 -4.250 5.860 15.561 1.00 0.00 C ATOM 395 CG PRO A 31 -4.789 6.421 16.831 1.00 0.00 C ATOM 396 CD PRO A 31 -4.584 7.909 16.746 1.00 0.00 C ATOM 0 HA PRO A 31 -3.771 6.993 13.727 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.740 4.921 15.304 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.183 5.651 15.642 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.845 6.179 16.948 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.269 6.004 17.694 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.378 8.454 17.257 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.643 8.212 17.206 1.00 0.00 H new ATOM 404 N PRO A 32 -5.776 5.736 12.798 1.00 0.00 N ATOM 405 CA PRO A 32 -6.948 5.349 12.007 1.00 0.00 C ATOM 406 C PRO A 32 -7.958 4.548 12.822 1.00 0.00 C ATOM 407 O PRO A 32 -7.592 3.854 13.770 1.00 0.00 O ATOM 408 CB PRO A 32 -6.353 4.484 10.893 1.00 0.00 C ATOM 409 CG PRO A 32 -5.087 3.946 11.466 1.00 0.00 C ATOM 410 CD PRO A 32 -4.561 5.015 12.384 1.00 0.00 C ATOM 0 HA PRO A 32 -7.500 6.216 11.644 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.033 3.680 10.610 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.163 5.071 9.995 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.268 3.019 12.010 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.368 3.719 10.679 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.036 4.588 13.239 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.857 5.673 11.874 1.00 0.00 H new ATOM 418 N GLN A 33 -9.229 4.649 12.445 1.00 0.00 N ATOM 419 CA GLN A 33 -10.291 3.934 13.142 1.00 0.00 C ATOM 420 C GLN A 33 -10.636 2.635 12.422 1.00 0.00 C ATOM 421 O GLN A 33 -10.326 2.466 11.243 1.00 0.00 O ATOM 422 CB GLN A 33 -11.537 4.814 13.257 1.00 0.00 C ATOM 423 CG GLN A 33 -11.283 6.139 13.957 1.00 0.00 C ATOM 424 CD GLN A 33 -12.530 6.701 14.611 1.00 0.00 C ATOM 425 OE1 GLN A 33 -12.883 6.324 15.729 1.00 0.00 O ATOM 426 NE2 GLN A 33 -13.205 7.610 13.916 1.00 0.00 N ATOM 0 H GLN A 33 -9.548 5.219 11.661 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.934 3.690 14.142 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.927 5.009 12.258 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.309 4.268 13.800 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.510 6.004 14.713 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.900 6.860 13.235 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.877 7.893 12.993 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -14.052 8.024 14.306 1.00 0.00 H new ATOM 435 N ASN A 34 -11.279 1.719 13.139 1.00 0.00 N ATOM 436 CA ASN A 34 -11.665 0.434 12.567 1.00 0.00 C ATOM 437 C ASN A 34 -10.434 -0.390 12.199 1.00 0.00 C ATOM 438 O ASN A 34 -10.403 -1.049 11.160 1.00 0.00 O ATOM 439 CB ASN A 34 -12.540 0.644 11.331 1.00 0.00 C ATOM 440 CG ASN A 34 -13.530 -0.486 11.123 1.00 0.00 C ATOM 441 OD1 ASN A 34 -14.245 -0.877 12.046 1.00 0.00 O ATOM 442 ND2 ASN A 34 -13.575 -1.017 9.907 1.00 0.00 N ATOM 0 H ASN A 34 -11.544 1.842 14.116 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.235 -0.113 13.318 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.082 1.585 11.429 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.904 0.733 10.450 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.221 -1.781 9.708 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -12.964 -0.661 9.172 1.00 0.00 H new ATOM 449 N VAL A 35 -9.422 -0.348 13.059 1.00 0.00 N ATOM 450 CA VAL A 35 -8.189 -1.091 12.826 1.00 0.00 C ATOM 451 C VAL A 35 -8.253 -2.475 13.462 1.00 0.00 C ATOM 452 O VAL A 35 -8.140 -2.616 14.679 1.00 0.00 O ATOM 453 CB VAL A 35 -6.966 -0.339 13.383 1.00 0.00 C ATOM 454 CG1 VAL A 35 -5.677 -0.959 12.867 1.00 0.00 C ATOM 455 CG2 VAL A 35 -7.039 1.137 13.021 1.00 0.00 C ATOM 0 H VAL A 35 -9.431 0.193 13.924 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.082 -1.194 11.746 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.972 -0.425 14.470 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.824 -0.414 13.271 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.624 -2.001 13.181 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.658 -0.906 11.778 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.167 1.654 13.422 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.058 1.245 11.937 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.945 1.571 13.444 1.00 0.00 H new ATOM 465 N SER A 36 -8.436 -3.495 12.629 1.00 0.00 N ATOM 466 CA SER A 36 -8.519 -4.869 13.110 1.00 0.00 C ATOM 467 C SER A 36 -8.126 -5.853 12.013 1.00 0.00 C ATOM 468 O SER A 36 -8.103 -5.507 10.831 1.00 0.00 O ATOM 469 CB SER A 36 -9.935 -5.175 13.602 1.00 0.00 C ATOM 470 OG SER A 36 -9.918 -6.158 14.623 1.00 0.00 O ATOM 0 H SER A 36 -8.530 -3.396 11.618 1.00 0.00 H new ATOM 0 HA SER A 36 -7.822 -4.980 13.940 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.398 -4.263 13.979 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.546 -5.522 12.769 1.00 0.00 H new ATOM 0 HG SER A 36 -10.834 -6.335 14.922 1.00 0.00 H new ATOM 476 N LEU A 37 -7.817 -7.082 12.412 1.00 0.00 N ATOM 477 CA LEU A 37 -7.424 -8.119 11.464 1.00 0.00 C ATOM 478 C LEU A 37 -8.454 -9.243 11.428 1.00 0.00 C ATOM 479 O LEU A 37 -8.841 -9.776 12.467 1.00 0.00 O ATOM 480 CB LEU A 37 -6.051 -8.682 11.833 1.00 0.00 C ATOM 481 CG LEU A 37 -4.922 -7.660 11.975 1.00 0.00 C ATOM 482 CD1 LEU A 37 -3.798 -8.221 12.832 1.00 0.00 C ATOM 483 CD2 LEU A 37 -4.398 -7.252 10.606 1.00 0.00 C ATOM 0 H LEU A 37 -7.831 -7.385 13.386 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.370 -7.668 10.473 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.144 -9.224 12.774 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.763 -9.409 11.074 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.320 -6.774 12.469 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.004 -7.480 12.922 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.182 -8.463 13.823 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.401 -9.123 12.367 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.595 -6.524 10.726 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.017 -8.131 10.086 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.206 -6.808 10.025 1.00 0.00 H new ATOM 495 N GLU A 38 -8.893 -9.598 10.224 1.00 0.00 N ATOM 496 CA GLU A 38 -9.878 -10.660 10.054 1.00 0.00 C ATOM 497 C GLU A 38 -9.263 -11.864 9.345 1.00 0.00 C ATOM 498 O GLU A 38 -8.720 -11.741 8.247 1.00 0.00 O ATOM 499 CB GLU A 38 -11.082 -10.148 9.261 1.00 0.00 C ATOM 500 CG GLU A 38 -12.286 -11.073 9.316 1.00 0.00 C ATOM 501 CD GLU A 38 -13.170 -10.809 10.519 1.00 0.00 C ATOM 502 OE1 GLU A 38 -13.567 -9.642 10.718 1.00 0.00 O ATOM 503 OE2 GLU A 38 -13.464 -11.769 11.262 1.00 0.00 O ATOM 0 H GLU A 38 -8.583 -9.166 9.353 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.211 -10.973 11.044 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.369 -9.169 9.645 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.788 -10.009 8.220 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.873 -10.954 8.405 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.944 -12.108 9.341 1.00 0.00 H new ATOM 510 N VAL A 39 -9.352 -13.027 9.982 1.00 0.00 N ATOM 511 CA VAL A 39 -8.806 -14.254 9.413 1.00 0.00 C ATOM 512 C VAL A 39 -9.806 -14.916 8.473 1.00 0.00 C ATOM 513 O VAL A 39 -10.880 -15.347 8.894 1.00 0.00 O ATOM 514 CB VAL A 39 -8.412 -15.256 10.515 1.00 0.00 C ATOM 515 CG1 VAL A 39 -7.812 -16.513 9.903 1.00 0.00 C ATOM 516 CG2 VAL A 39 -7.442 -14.615 11.496 1.00 0.00 C ATOM 0 H VAL A 39 -9.797 -13.146 10.892 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.915 -13.974 8.851 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.311 -15.540 11.062 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.540 -17.209 10.696 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.543 -16.981 9.244 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.923 -16.250 9.330 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.174 -15.337 12.267 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.543 -14.301 10.966 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.913 -13.747 11.959 1.00 0.00 H new ATOM 526 N VAL A 40 -9.446 -14.996 7.196 1.00 0.00 N ATOM 527 CA VAL A 40 -10.311 -15.608 6.194 1.00 0.00 C ATOM 528 C VAL A 40 -9.956 -17.076 5.985 1.00 0.00 C ATOM 529 O VAL A 40 -10.835 -17.936 5.935 1.00 0.00 O ATOM 530 CB VAL A 40 -10.215 -14.872 4.845 1.00 0.00 C ATOM 531 CG1 VAL A 40 -11.195 -15.464 3.843 1.00 0.00 C ATOM 532 CG2 VAL A 40 -10.466 -13.383 5.032 1.00 0.00 C ATOM 0 H VAL A 40 -8.561 -14.645 6.831 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.332 -15.533 6.569 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.207 -15.001 4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.113 -14.931 2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.964 -16.518 3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.211 -15.367 4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.394 -12.878 4.069 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.462 -13.231 5.448 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.722 -12.971 5.714 1.00 0.00 H new ATOM 542 N ASN A 41 -8.662 -17.356 5.865 1.00 0.00 N ATOM 543 CA ASN A 41 -8.191 -18.721 5.662 1.00 0.00 C ATOM 544 C ASN A 41 -6.802 -18.912 6.263 1.00 0.00 C ATOM 545 O ASN A 41 -6.232 -17.987 6.842 1.00 0.00 O ATOM 546 CB ASN A 41 -8.163 -19.056 4.169 1.00 0.00 C ATOM 547 CG ASN A 41 -9.548 -19.316 3.609 1.00 0.00 C ATOM 548 OD1 ASN A 41 -10.315 -20.105 4.161 1.00 0.00 O ATOM 549 ND2 ASN A 41 -9.875 -18.651 2.506 1.00 0.00 N ATOM 0 H ASN A 41 -7.921 -16.656 5.905 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.882 -19.396 6.167 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.702 -18.233 3.623 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.538 -19.935 4.008 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.794 -18.785 2.083 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.207 -18.007 2.082 1.00 0.00 H new ATOM 556 N SER A 42 -6.263 -20.119 6.122 1.00 0.00 N ATOM 557 CA SER A 42 -4.942 -20.433 6.654 1.00 0.00 C ATOM 558 C SER A 42 -3.849 -19.778 5.815 1.00 0.00 C ATOM 559 O SER A 42 -2.735 -19.556 6.291 1.00 0.00 O ATOM 560 CB SER A 42 -4.732 -21.948 6.693 1.00 0.00 C ATOM 561 OG SER A 42 -4.378 -22.447 5.415 1.00 0.00 O ATOM 0 H SER A 42 -6.721 -20.895 5.644 1.00 0.00 H new ATOM 0 HA SER A 42 -4.882 -20.039 7.668 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.949 -22.191 7.411 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.644 -22.436 7.038 1.00 0.00 H new ATOM 0 HG SER A 42 -4.248 -23.417 5.467 1.00 0.00 H new ATOM 567 N ARG A 43 -4.176 -19.470 4.564 1.00 0.00 N ATOM 568 CA ARG A 43 -3.222 -18.842 3.658 1.00 0.00 C ATOM 569 C ARG A 43 -3.783 -17.538 3.098 1.00 0.00 C ATOM 570 O ARG A 43 -3.312 -17.035 2.077 1.00 0.00 O ATOM 571 CB ARG A 43 -2.873 -19.793 2.511 1.00 0.00 C ATOM 572 CG ARG A 43 -4.079 -20.239 1.701 1.00 0.00 C ATOM 573 CD ARG A 43 -3.667 -20.782 0.342 1.00 0.00 C ATOM 574 NE ARG A 43 -4.792 -20.842 -0.588 1.00 0.00 N ATOM 575 CZ ARG A 43 -4.822 -21.631 -1.655 1.00 0.00 C ATOM 576 NH1 ARG A 43 -3.794 -22.423 -1.927 1.00 0.00 N ATOM 577 NH2 ARG A 43 -5.882 -21.629 -2.454 1.00 0.00 N ATOM 0 H ARG A 43 -5.094 -19.645 4.155 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.317 -18.617 4.222 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.162 -19.302 1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.374 -20.672 2.918 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.624 -21.006 2.251 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.760 -19.398 1.567 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.883 -20.152 -0.078 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.243 -21.779 0.463 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.599 -20.245 -0.407 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.978 -22.427 -1.316 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.820 -23.028 -2.748 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.675 -21.021 -2.248 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.904 -22.236 -3.274 1.00 0.00 H new ATOM 591 N SER A 44 -4.791 -16.995 3.772 1.00 0.00 N ATOM 592 CA SER A 44 -5.419 -15.752 3.340 1.00 0.00 C ATOM 593 C SER A 44 -5.910 -14.946 4.539 1.00 0.00 C ATOM 594 O SER A 44 -6.543 -15.486 5.446 1.00 0.00 O ATOM 595 CB SER A 44 -6.587 -16.047 2.397 1.00 0.00 C ATOM 596 OG SER A 44 -6.286 -17.132 1.537 1.00 0.00 O ATOM 0 H SER A 44 -5.191 -17.397 4.620 1.00 0.00 H new ATOM 0 HA SER A 44 -4.672 -15.162 2.809 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.479 -16.277 2.979 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.813 -15.161 1.804 1.00 0.00 H new ATOM 0 HG SER A 44 -7.049 -17.302 0.945 1.00 0.00 H new ATOM 602 N ILE A 45 -5.612 -13.651 4.535 1.00 0.00 N ATOM 603 CA ILE A 45 -6.023 -12.769 5.620 1.00 0.00 C ATOM 604 C ILE A 45 -6.472 -11.413 5.087 1.00 0.00 C ATOM 605 O ILE A 45 -5.755 -10.765 4.325 1.00 0.00 O ATOM 606 CB ILE A 45 -4.885 -12.558 6.636 1.00 0.00 C ATOM 607 CG1 ILE A 45 -4.544 -13.876 7.334 1.00 0.00 C ATOM 608 CG2 ILE A 45 -5.274 -11.498 7.655 1.00 0.00 C ATOM 609 CD1 ILE A 45 -3.337 -13.785 8.242 1.00 0.00 C ATOM 0 H ILE A 45 -5.087 -13.189 3.792 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.861 -13.255 6.121 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.000 -12.212 6.101 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.405 -14.201 7.919 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.364 -14.641 6.579 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.459 -11.360 8.366 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.472 -10.556 7.143 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.170 -11.817 8.187 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.154 -14.756 8.703 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.464 -13.490 7.659 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.521 -13.043 9.019 1.00 0.00 H new ATOM 621 N LYS A 46 -7.663 -10.988 5.495 1.00 0.00 N ATOM 622 CA LYS A 46 -8.208 -9.707 5.062 1.00 0.00 C ATOM 623 C LYS A 46 -7.934 -8.621 6.097 1.00 0.00 C ATOM 624 O LYS A 46 -7.997 -8.867 7.302 1.00 0.00 O ATOM 625 CB LYS A 46 -9.715 -9.826 4.820 1.00 0.00 C ATOM 626 CG LYS A 46 -10.341 -8.565 4.249 1.00 0.00 C ATOM 627 CD LYS A 46 -11.624 -8.872 3.496 1.00 0.00 C ATOM 628 CE LYS A 46 -12.452 -7.616 3.270 1.00 0.00 C ATOM 629 NZ LYS A 46 -13.349 -7.328 4.424 1.00 0.00 N ATOM 0 H LYS A 46 -8.270 -11.513 6.125 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.717 -9.428 4.130 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.900 -10.655 4.137 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.207 -10.072 5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.551 -7.864 5.057 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.633 -8.077 3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.383 -9.328 2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -12.211 -9.600 4.056 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.788 -6.768 3.106 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -13.049 -7.733 2.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.896 -6.465 4.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -14.000 -8.126 4.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.778 -7.191 5.282 1.00 0.00 H new ATOM 643 N VAL A 47 -7.630 -7.418 5.620 1.00 0.00 N ATOM 644 CA VAL A 47 -7.348 -6.294 6.504 1.00 0.00 C ATOM 645 C VAL A 47 -8.185 -5.076 6.129 1.00 0.00 C ATOM 646 O VAL A 47 -8.078 -4.554 5.020 1.00 0.00 O ATOM 647 CB VAL A 47 -5.857 -5.909 6.466 1.00 0.00 C ATOM 648 CG1 VAL A 47 -5.617 -4.624 7.243 1.00 0.00 C ATOM 649 CG2 VAL A 47 -5.001 -7.041 7.013 1.00 0.00 C ATOM 0 H VAL A 47 -7.573 -7.197 4.626 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.607 -6.613 7.513 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.570 -5.736 5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.558 -4.368 7.205 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.202 -3.817 6.801 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.919 -4.765 8.281 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.951 -6.752 6.979 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.287 -7.248 8.044 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.151 -7.935 6.408 1.00 0.00 H new ATOM 659 N SER A 48 -9.020 -4.629 7.062 1.00 0.00 N ATOM 660 CA SER A 48 -9.879 -3.474 6.829 1.00 0.00 C ATOM 661 C SER A 48 -9.533 -2.337 7.785 1.00 0.00 C ATOM 662 O SER A 48 -8.981 -2.563 8.861 1.00 0.00 O ATOM 663 CB SER A 48 -11.349 -3.864 6.993 1.00 0.00 C ATOM 664 OG SER A 48 -11.580 -4.462 8.258 1.00 0.00 O ATOM 0 H SER A 48 -9.120 -5.049 7.986 1.00 0.00 H new ATOM 0 HA SER A 48 -9.713 -3.130 5.808 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.977 -2.980 6.885 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.635 -4.557 6.202 1.00 0.00 H new ATOM 0 HG SER A 48 -12.527 -4.701 8.339 1.00 0.00 H new ATOM 670 N TRP A 49 -9.861 -1.114 7.383 1.00 0.00 N ATOM 671 CA TRP A 49 -9.585 0.060 8.203 1.00 0.00 C ATOM 672 C TRP A 49 -10.527 1.205 7.850 1.00 0.00 C ATOM 673 O TRP A 49 -11.260 1.136 6.863 1.00 0.00 O ATOM 674 CB TRP A 49 -8.132 0.504 8.022 1.00 0.00 C ATOM 675 CG TRP A 49 -7.768 0.774 6.593 1.00 0.00 C ATOM 676 CD1 TRP A 49 -7.824 1.975 5.946 1.00 0.00 C ATOM 677 CD2 TRP A 49 -7.294 -0.178 5.635 1.00 0.00 C ATOM 678 NE1 TRP A 49 -7.413 1.827 4.643 1.00 0.00 N ATOM 679 CE2 TRP A 49 -7.082 0.516 4.427 1.00 0.00 C ATOM 680 CE3 TRP A 49 -7.027 -1.549 5.679 1.00 0.00 C ATOM 681 CZ2 TRP A 49 -6.617 -0.116 3.278 1.00 0.00 C ATOM 682 CZ3 TRP A 49 -6.565 -2.175 4.537 1.00 0.00 C ATOM 683 CH2 TRP A 49 -6.363 -1.459 3.350 1.00 0.00 C ATOM 0 H TRP A 49 -10.318 -0.910 6.494 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.748 -0.210 9.246 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -7.959 1.405 8.610 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.472 -0.267 8.418 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.144 2.905 6.393 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.363 2.573 3.949 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -7.179 -2.109 6.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -6.462 0.434 2.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -6.356 -3.234 4.560 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -6.000 -1.977 2.475 1.00 0.00 H new ATOM 694 N LEU A 50 -10.504 2.256 8.662 1.00 0.00 N ATOM 695 CA LEU A 50 -11.358 3.417 8.435 1.00 0.00 C ATOM 696 C LEU A 50 -10.603 4.712 8.718 1.00 0.00 C ATOM 697 O LEU A 50 -9.637 4.741 9.481 1.00 0.00 O ATOM 698 CB LEU A 50 -12.606 3.338 9.316 1.00 0.00 C ATOM 699 CG LEU A 50 -13.682 2.349 8.867 1.00 0.00 C ATOM 700 CD1 LEU A 50 -14.903 2.444 9.769 1.00 0.00 C ATOM 701 CD2 LEU A 50 -14.068 2.603 7.417 1.00 0.00 C ATOM 0 H LEU A 50 -9.904 2.328 9.483 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.660 3.415 7.388 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -12.297 3.073 10.327 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.053 4.331 9.369 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.276 1.340 8.943 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -15.659 1.733 9.435 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.616 2.213 10.795 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.310 3.454 9.725 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -14.835 1.890 7.114 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -14.455 3.617 7.316 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.191 2.484 6.781 1.00 0.00 H new ATOM 713 N PRO A 51 -11.053 5.809 8.092 1.00 0.00 N ATOM 714 CA PRO A 51 -10.436 7.128 8.263 1.00 0.00 C ATOM 715 C PRO A 51 -10.677 7.704 9.654 1.00 0.00 C ATOM 716 O PRO A 51 -11.599 7.306 10.366 1.00 0.00 O ATOM 717 CB PRO A 51 -11.130 7.985 7.202 1.00 0.00 C ATOM 718 CG PRO A 51 -12.443 7.318 6.976 1.00 0.00 C ATOM 719 CD PRO A 51 -12.199 5.847 7.168 1.00 0.00 C ATOM 0 HA PRO A 51 -9.352 7.088 8.156 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.261 9.011 7.546 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.545 8.029 6.283 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.192 7.684 7.678 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.818 7.524 5.973 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.071 5.347 7.589 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -11.971 5.351 6.225 1.00 0.00 H new ATOM 727 N PRO A 52 -9.828 8.663 10.053 1.00 0.00 N ATOM 728 CA PRO A 52 -9.930 9.315 11.362 1.00 0.00 C ATOM 729 C PRO A 52 -11.154 10.218 11.467 1.00 0.00 C ATOM 730 O PRO A 52 -11.831 10.503 10.479 1.00 0.00 O ATOM 731 CB PRO A 52 -8.645 10.144 11.446 1.00 0.00 C ATOM 732 CG PRO A 52 -8.266 10.400 10.028 1.00 0.00 C ATOM 733 CD PRO A 52 -8.705 9.185 9.257 1.00 0.00 C ATOM 0 HA PRO A 52 -10.041 8.592 12.170 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.810 11.076 11.986 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.859 9.604 11.974 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.753 11.299 9.650 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.191 10.555 9.933 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.016 9.442 8.244 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.902 8.454 9.168 1.00 0.00 H new ATOM 741 N PRO A 53 -11.447 10.679 12.692 1.00 0.00 N ATOM 742 CA PRO A 53 -12.591 11.558 12.954 1.00 0.00 C ATOM 743 C PRO A 53 -12.398 12.952 12.368 1.00 0.00 C ATOM 744 O PRO A 53 -11.269 13.419 12.210 1.00 0.00 O ATOM 745 CB PRO A 53 -12.645 11.623 14.483 1.00 0.00 C ATOM 746 CG PRO A 53 -11.250 11.341 14.923 1.00 0.00 C ATOM 747 CD PRO A 53 -10.683 10.380 13.915 1.00 0.00 C ATOM 0 HA PRO A 53 -13.506 11.183 12.497 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.978 12.602 14.826 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.343 10.890 14.886 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.661 12.257 14.963 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.236 10.910 15.924 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.614 10.535 13.769 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -10.815 9.344 14.228 1.00 0.00 H new ATOM 755 N SER A 54 -13.505 13.613 12.048 1.00 0.00 N ATOM 756 CA SER A 54 -13.457 14.953 11.475 1.00 0.00 C ATOM 757 C SER A 54 -12.631 15.889 12.353 1.00 0.00 C ATOM 758 O SER A 54 -12.102 16.895 11.881 1.00 0.00 O ATOM 759 CB SER A 54 -14.872 15.510 11.307 1.00 0.00 C ATOM 760 OG SER A 54 -15.468 15.036 10.112 1.00 0.00 O ATOM 0 H SER A 54 -14.447 13.243 12.176 1.00 0.00 H new ATOM 0 HA SER A 54 -12.982 14.886 10.496 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.484 15.221 12.162 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.838 16.599 11.293 1.00 0.00 H new ATOM 0 HG SER A 54 -16.372 15.405 10.029 1.00 0.00 H new ATOM 766 N GLY A 55 -12.524 15.549 13.634 1.00 0.00 N ATOM 767 CA GLY A 55 -11.762 16.368 14.558 1.00 0.00 C ATOM 768 C GLY A 55 -10.362 16.659 14.055 1.00 0.00 C ATOM 769 O GLY A 55 -10.003 17.814 13.825 1.00 0.00 O ATOM 0 H GLY A 55 -12.952 14.721 14.048 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.288 17.308 14.724 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.701 15.862 15.522 1.00 0.00 H new ATOM 773 N THR A 56 -9.565 15.608 13.886 1.00 0.00 N ATOM 774 CA THR A 56 -8.196 15.755 13.410 1.00 0.00 C ATOM 775 C THR A 56 -8.144 15.805 11.887 1.00 0.00 C ATOM 776 O THR A 56 -7.171 16.283 11.306 1.00 0.00 O ATOM 777 CB THR A 56 -7.302 14.602 13.905 1.00 0.00 C ATOM 778 OG1 THR A 56 -5.929 14.887 13.614 1.00 0.00 O ATOM 779 CG2 THR A 56 -7.702 13.288 13.252 1.00 0.00 C ATOM 0 H THR A 56 -9.845 14.645 14.072 1.00 0.00 H new ATOM 0 HA THR A 56 -7.821 16.695 13.814 1.00 0.00 H new ATOM 0 HB THR A 56 -7.432 14.508 14.983 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.862 15.305 12.730 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.057 12.489 13.617 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.738 13.059 13.500 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.598 13.373 12.170 1.00 0.00 H new ATOM 787 N GLN A 57 -9.199 15.309 11.248 1.00 0.00 N ATOM 788 CA GLN A 57 -9.272 15.297 9.792 1.00 0.00 C ATOM 789 C GLN A 57 -8.944 16.672 9.219 1.00 0.00 C ATOM 790 O GLN A 57 -9.826 17.512 9.053 1.00 0.00 O ATOM 791 CB GLN A 57 -10.665 14.860 9.334 1.00 0.00 C ATOM 792 CG GLN A 57 -10.698 14.325 7.912 1.00 0.00 C ATOM 793 CD GLN A 57 -11.848 13.366 7.676 1.00 0.00 C ATOM 794 OE1 GLN A 57 -12.991 13.783 7.485 1.00 0.00 O ATOM 795 NE2 GLN A 57 -11.552 12.071 7.687 1.00 0.00 N ATOM 0 H GLN A 57 -10.014 14.911 11.715 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.535 14.584 9.422 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.036 14.091 10.011 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.346 15.708 9.410 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.777 15.160 7.216 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.757 13.818 7.697 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.591 11.769 7.849 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.285 11.379 7.533 1.00 0.00 H new ATOM 804 N ASN A 58 -7.668 16.894 8.921 1.00 0.00 N ATOM 805 CA ASN A 58 -7.223 18.167 8.367 1.00 0.00 C ATOM 806 C ASN A 58 -6.532 17.965 7.022 1.00 0.00 C ATOM 807 O ASN A 58 -5.513 18.591 6.735 1.00 0.00 O ATOM 808 CB ASN A 58 -6.271 18.866 9.342 1.00 0.00 C ATOM 809 CG ASN A 58 -6.330 20.376 9.224 1.00 0.00 C ATOM 810 OD1 ASN A 58 -6.730 21.068 10.162 1.00 0.00 O ATOM 811 ND2 ASN A 58 -5.932 20.896 8.069 1.00 0.00 N ATOM 0 H ASN A 58 -6.924 16.209 9.054 1.00 0.00 H new ATOM 0 HA ASN A 58 -8.101 18.794 8.213 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.521 18.574 10.362 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.251 18.529 9.155 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.950 21.907 7.932 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.608 20.285 7.319 1.00 0.00 H new ATOM 818 N GLY A 59 -7.096 17.084 6.200 1.00 0.00 N ATOM 819 CA GLY A 59 -6.521 16.815 4.895 1.00 0.00 C ATOM 820 C GLY A 59 -7.265 15.726 4.148 1.00 0.00 C ATOM 821 O GLY A 59 -7.660 14.718 4.736 1.00 0.00 O ATOM 0 H GLY A 59 -7.940 16.553 6.415 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.530 17.729 4.302 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.478 16.522 5.014 1.00 0.00 H new ATOM 825 N PHE A 60 -7.459 15.928 2.849 1.00 0.00 N ATOM 826 CA PHE A 60 -8.164 14.956 2.021 1.00 0.00 C ATOM 827 C PHE A 60 -7.319 13.702 1.816 1.00 0.00 C ATOM 828 O PHE A 60 -6.361 13.706 1.041 1.00 0.00 O ATOM 829 CB PHE A 60 -8.521 15.572 0.666 1.00 0.00 C ATOM 830 CG PHE A 60 -9.207 14.614 -0.265 1.00 0.00 C ATOM 831 CD1 PHE A 60 -10.567 14.374 -0.154 1.00 0.00 C ATOM 832 CD2 PHE A 60 -8.492 13.954 -1.252 1.00 0.00 C ATOM 833 CE1 PHE A 60 -11.202 13.494 -1.010 1.00 0.00 C ATOM 834 CE2 PHE A 60 -9.122 13.073 -2.111 1.00 0.00 C ATOM 835 CZ PHE A 60 -10.478 12.842 -1.989 1.00 0.00 C ATOM 0 H PHE A 60 -7.138 16.756 2.347 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.082 14.674 2.537 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.167 16.435 0.827 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -7.611 15.939 0.191 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -11.138 14.880 0.610 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.431 14.130 -1.351 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -12.263 13.316 -0.913 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -8.554 12.566 -2.877 1.00 0.00 H new ATOM 0 HZ PHE A 60 -10.972 12.153 -2.658 1.00 0.00 H new ATOM 845 N ILE A 61 -7.679 12.632 2.515 1.00 0.00 N ATOM 846 CA ILE A 61 -6.955 11.371 2.410 1.00 0.00 C ATOM 847 C ILE A 61 -6.741 10.981 0.951 1.00 0.00 C ATOM 848 O ILE A 61 -7.599 11.219 0.100 1.00 0.00 O ATOM 849 CB ILE A 61 -7.700 10.232 3.130 1.00 0.00 C ATOM 850 CG1 ILE A 61 -7.589 10.401 4.647 1.00 0.00 C ATOM 851 CG2 ILE A 61 -7.146 8.882 2.700 1.00 0.00 C ATOM 852 CD1 ILE A 61 -8.461 11.507 5.197 1.00 0.00 C ATOM 0 H ILE A 61 -8.468 12.612 3.161 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.988 11.521 2.890 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.754 10.275 2.854 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.860 9.462 5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.550 10.605 4.907 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.683 8.087 3.218 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.271 8.763 1.624 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.087 8.827 2.950 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.331 11.569 6.277 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.176 12.456 4.742 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.505 11.295 4.969 1.00 0.00 H new ATOM 864 N THR A 62 -5.591 10.377 0.668 1.00 0.00 N ATOM 865 CA THR A 62 -5.264 9.952 -0.687 1.00 0.00 C ATOM 866 C THR A 62 -4.973 8.456 -0.739 1.00 0.00 C ATOM 867 O THR A 62 -5.077 7.830 -1.793 1.00 0.00 O ATOM 868 CB THR A 62 -4.047 10.719 -1.237 1.00 0.00 C ATOM 869 OG1 THR A 62 -2.839 10.186 -0.682 1.00 0.00 O ATOM 870 CG2 THR A 62 -4.150 12.202 -0.913 1.00 0.00 C ATOM 0 H THR A 62 -4.870 10.171 1.360 1.00 0.00 H new ATOM 0 HA THR A 62 -6.134 10.172 -1.306 1.00 0.00 H new ATOM 0 HB THR A 62 -4.031 10.601 -2.320 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.070 10.678 -1.038 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.279 12.723 -1.311 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.055 12.611 -1.363 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.190 12.336 0.168 1.00 0.00 H new ATOM 878 N GLY A 63 -4.609 7.888 0.407 1.00 0.00 N ATOM 879 CA GLY A 63 -4.310 6.470 0.469 1.00 0.00 C ATOM 880 C GLY A 63 -4.131 5.977 1.892 1.00 0.00 C ATOM 881 O GLY A 63 -4.543 6.641 2.843 1.00 0.00 O ATOM 0 H GLY A 63 -4.516 8.385 1.293 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.115 5.911 -0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.402 6.268 -0.099 1.00 0.00 H new ATOM 885 N TYR A 64 -3.516 4.809 2.038 1.00 0.00 N ATOM 886 CA TYR A 64 -3.287 4.225 3.355 1.00 0.00 C ATOM 887 C TYR A 64 -2.014 3.384 3.364 1.00 0.00 C ATOM 888 O TYR A 64 -1.686 2.721 2.380 1.00 0.00 O ATOM 889 CB TYR A 64 -4.482 3.366 3.770 1.00 0.00 C ATOM 890 CG TYR A 64 -5.728 4.167 4.074 1.00 0.00 C ATOM 891 CD1 TYR A 64 -6.587 4.565 3.057 1.00 0.00 C ATOM 892 CD2 TYR A 64 -6.046 4.525 5.378 1.00 0.00 C ATOM 893 CE1 TYR A 64 -7.726 5.298 3.330 1.00 0.00 C ATOM 894 CE2 TYR A 64 -7.183 5.256 5.661 1.00 0.00 C ATOM 895 CZ TYR A 64 -8.020 5.641 4.634 1.00 0.00 C ATOM 896 OH TYR A 64 -9.154 6.369 4.910 1.00 0.00 O ATOM 0 H TYR A 64 -3.167 4.248 1.261 1.00 0.00 H new ATOM 0 HA TYR A 64 -3.168 5.039 4.070 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -4.702 2.656 2.973 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.211 2.783 4.650 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.361 4.297 2.036 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.393 4.226 6.185 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.382 5.601 2.528 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.416 5.525 6.681 1.00 0.00 H new ATOM 0 HH TYR A 64 -9.483 6.136 5.803 1.00 0.00 H new ATOM 906 N LYS A 65 -1.299 3.417 4.484 1.00 0.00 N ATOM 907 CA LYS A 65 -0.063 2.658 4.625 1.00 0.00 C ATOM 908 C LYS A 65 -0.302 1.368 5.402 1.00 0.00 C ATOM 909 O LYS A 65 -0.825 1.391 6.517 1.00 0.00 O ATOM 910 CB LYS A 65 1.000 3.502 5.333 1.00 0.00 C ATOM 911 CG LYS A 65 2.408 2.951 5.191 1.00 0.00 C ATOM 912 CD LYS A 65 3.438 3.891 5.795 1.00 0.00 C ATOM 913 CE LYS A 65 3.978 4.866 4.759 1.00 0.00 C ATOM 914 NZ LYS A 65 3.201 6.135 4.734 1.00 0.00 N ATOM 0 H LYS A 65 -1.555 3.962 5.307 1.00 0.00 H new ATOM 0 HA LYS A 65 0.291 2.400 3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.973 4.515 4.932 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.751 3.571 6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.470 1.979 5.680 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.633 2.792 4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.988 4.446 6.618 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.260 3.311 6.214 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.024 5.085 4.976 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.948 4.402 3.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.975 6.385 3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.319 6.013 5.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.765 6.896 5.163 1.00 0.00 H new ATOM 928 N ILE A 66 0.084 0.244 4.807 1.00 0.00 N ATOM 929 CA ILE A 66 -0.087 -1.055 5.445 1.00 0.00 C ATOM 930 C ILE A 66 1.250 -1.772 5.600 1.00 0.00 C ATOM 931 O ILE A 66 1.821 -2.259 4.625 1.00 0.00 O ATOM 932 CB ILE A 66 -1.048 -1.954 4.644 1.00 0.00 C ATOM 933 CG1 ILE A 66 -2.369 -1.224 4.387 1.00 0.00 C ATOM 934 CG2 ILE A 66 -1.294 -3.259 5.385 1.00 0.00 C ATOM 935 CD1 ILE A 66 -3.136 -1.764 3.201 1.00 0.00 C ATOM 0 H ILE A 66 0.517 0.207 3.884 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.513 -0.868 6.431 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.589 -2.186 3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.994 -1.296 5.277 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.165 -0.166 4.226 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.975 -3.883 4.806 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.348 -3.784 5.522 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.735 -3.047 6.359 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.061 -1.200 3.078 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.529 -1.667 2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.372 -2.815 3.368 1.00 0.00 H new ATOM 947 N ARG A 67 1.742 -1.834 6.833 1.00 0.00 N ATOM 948 CA ARG A 67 3.012 -2.492 7.117 1.00 0.00 C ATOM 949 C ARG A 67 2.785 -3.890 7.684 1.00 0.00 C ATOM 950 O ARG A 67 1.984 -4.077 8.601 1.00 0.00 O ATOM 951 CB ARG A 67 3.834 -1.657 8.100 1.00 0.00 C ATOM 952 CG ARG A 67 5.336 -1.798 7.911 1.00 0.00 C ATOM 953 CD ARG A 67 5.874 -0.762 6.937 1.00 0.00 C ATOM 954 NE ARG A 67 7.328 -0.646 7.008 1.00 0.00 N ATOM 955 CZ ARG A 67 7.963 0.119 7.889 1.00 0.00 C ATOM 956 NH1 ARG A 67 7.274 0.833 8.769 1.00 0.00 N ATOM 957 NH2 ARG A 67 9.289 0.171 7.891 1.00 0.00 N ATOM 0 H ARG A 67 1.281 -1.437 7.651 1.00 0.00 H new ATOM 0 HA ARG A 67 3.563 -2.584 6.181 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.559 -0.608 7.991 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.575 -1.950 9.118 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.837 -1.689 8.873 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.565 -2.798 7.544 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.581 -1.032 5.922 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.422 0.206 7.152 1.00 0.00 H new ATOM 0 HE ARG A 67 7.887 -1.182 6.344 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.255 0.795 8.770 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.763 1.420 9.445 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.822 -0.377 7.215 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.775 0.759 8.568 1.00 0.00 H new ATOM 971 N HIS A 68 3.495 -4.869 7.133 1.00 0.00 N ATOM 972 CA HIS A 68 3.371 -6.251 7.584 1.00 0.00 C ATOM 973 C HIS A 68 4.745 -6.893 7.749 1.00 0.00 C ATOM 974 O HIS A 68 5.715 -6.480 7.113 1.00 0.00 O ATOM 975 CB HIS A 68 2.532 -7.059 6.594 1.00 0.00 C ATOM 976 CG HIS A 68 3.281 -7.459 5.361 1.00 0.00 C ATOM 977 ND1 HIS A 68 3.306 -6.694 4.214 1.00 0.00 N ATOM 978 CD2 HIS A 68 4.037 -8.551 5.099 1.00 0.00 C ATOM 979 CE1 HIS A 68 4.043 -7.299 3.300 1.00 0.00 C ATOM 980 NE2 HIS A 68 4.499 -8.428 3.812 1.00 0.00 N ATOM 0 H HIS A 68 4.162 -4.731 6.374 1.00 0.00 H new ATOM 0 HA HIS A 68 2.872 -6.249 8.553 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.162 -7.956 7.091 1.00 0.00 H new ATOM 0 HB3 HIS A 68 1.660 -6.472 6.305 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.239 -9.367 5.777 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.239 -6.933 2.303 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.097 -9.099 3.330 1.00 0.00 H new ATOM 989 N ARG A 69 4.820 -7.906 8.606 1.00 0.00 N ATOM 990 CA ARG A 69 6.075 -8.605 8.855 1.00 0.00 C ATOM 991 C ARG A 69 5.843 -9.858 9.694 1.00 0.00 C ATOM 992 O ARG A 69 4.714 -10.158 10.082 1.00 0.00 O ATOM 993 CB ARG A 69 7.066 -7.680 9.565 1.00 0.00 C ATOM 994 CG ARG A 69 6.734 -7.440 11.029 1.00 0.00 C ATOM 995 CD ARG A 69 7.597 -6.338 11.623 1.00 0.00 C ATOM 996 NE ARG A 69 7.266 -6.078 13.022 1.00 0.00 N ATOM 997 CZ ARG A 69 7.569 -6.907 14.015 1.00 0.00 C ATOM 998 NH1 ARG A 69 8.207 -8.042 13.765 1.00 0.00 N ATOM 999 NH2 ARG A 69 7.235 -6.600 15.262 1.00 0.00 N ATOM 0 H ARG A 69 4.026 -8.261 9.140 1.00 0.00 H new ATOM 0 HA ARG A 69 6.492 -8.905 7.893 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.066 -8.109 9.493 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.092 -6.722 9.045 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.682 -7.171 11.125 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.880 -8.362 11.592 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.647 -6.618 11.545 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.467 -5.424 11.044 1.00 0.00 H new ATOM 0 HE ARG A 69 6.776 -5.213 13.249 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.467 -8.281 12.808 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.438 -8.676 14.530 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.745 -5.727 15.459 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.468 -7.237 16.024 1.00 0.00 H new ATOM 1013 N LYS A 70 6.919 -10.588 9.969 1.00 0.00 N ATOM 1014 CA LYS A 70 6.834 -11.809 10.761 1.00 0.00 C ATOM 1015 C LYS A 70 7.449 -11.605 12.142 1.00 0.00 C ATOM 1016 O LYS A 70 8.338 -10.772 12.321 1.00 0.00 O ATOM 1017 CB LYS A 70 7.541 -12.959 10.041 1.00 0.00 C ATOM 1018 CG LYS A 70 7.136 -14.333 10.545 1.00 0.00 C ATOM 1019 CD LYS A 70 5.913 -14.858 9.812 1.00 0.00 C ATOM 1020 CE LYS A 70 6.304 -15.698 8.606 1.00 0.00 C ATOM 1021 NZ LYS A 70 7.403 -16.650 8.927 1.00 0.00 N ATOM 0 H LYS A 70 7.861 -10.355 9.655 1.00 0.00 H new ATOM 0 HA LYS A 70 5.780 -12.060 10.885 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.327 -12.895 8.974 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.618 -12.842 10.157 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.965 -15.028 10.415 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.927 -14.282 11.614 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.308 -15.457 10.493 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.294 -14.021 9.489 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.435 -16.252 8.252 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.617 -15.043 7.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.284 -17.519 8.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.319 -16.214 8.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.375 -16.883 9.940 1.00 0.00 H new ATOM 1133 N MET A 77 8.526 -5.371 5.145 1.00 0.00 N ATOM 1134 CA MET A 77 7.939 -5.166 3.826 1.00 0.00 C ATOM 1135 C MET A 77 6.753 -4.210 3.901 1.00 0.00 C ATOM 1136 O MET A 77 5.696 -4.558 4.426 1.00 0.00 O ATOM 1137 CB MET A 77 7.494 -6.502 3.228 1.00 0.00 C ATOM 1138 CG MET A 77 7.500 -6.520 1.708 1.00 0.00 C ATOM 1139 SD MET A 77 9.154 -6.730 1.022 1.00 0.00 S ATOM 1140 CE MET A 77 8.950 -5.976 -0.589 1.00 0.00 C ATOM 0 HA MET A 77 8.700 -4.724 3.183 1.00 0.00 H new ATOM 0 HB2 MET A 77 8.150 -7.291 3.595 1.00 0.00 H new ATOM 0 HB3 MET A 77 6.489 -6.732 3.582 1.00 0.00 H new ATOM 0 HG2 MET A 77 6.859 -7.329 1.356 1.00 0.00 H new ATOM 0 HG3 MET A 77 7.072 -5.589 1.336 1.00 0.00 H new ATOM 0 HE1 MET A 77 9.891 -6.028 -1.137 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.177 -6.507 -1.144 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.658 -4.933 -0.468 1.00 0.00 H new ATOM 1150 N GLU A 78 6.936 -3.003 3.373 1.00 0.00 N ATOM 1151 CA GLU A 78 5.881 -1.997 3.383 1.00 0.00 C ATOM 1152 C GLU A 78 5.033 -2.086 2.117 1.00 0.00 C ATOM 1153 O GLU A 78 5.544 -2.369 1.032 1.00 0.00 O ATOM 1154 CB GLU A 78 6.482 -0.596 3.510 1.00 0.00 C ATOM 1155 CG GLU A 78 5.486 0.520 3.247 1.00 0.00 C ATOM 1156 CD GLU A 78 6.077 1.897 3.480 1.00 0.00 C ATOM 1157 OE1 GLU A 78 6.464 2.191 4.630 1.00 0.00 O ATOM 1158 OE2 GLU A 78 6.154 2.681 2.510 1.00 0.00 O ATOM 0 H GLU A 78 7.805 -2.699 2.933 1.00 0.00 H new ATOM 0 HA GLU A 78 5.240 -2.188 4.244 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.893 -0.476 4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.313 -0.502 2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.131 0.450 2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.618 0.387 3.893 1.00 0.00 H new ATOM 1165 N THR A 79 3.735 -1.842 2.263 1.00 0.00 N ATOM 1166 CA THR A 79 2.815 -1.896 1.133 1.00 0.00 C ATOM 1167 C THR A 79 1.618 -0.979 1.355 1.00 0.00 C ATOM 1168 O THR A 79 1.078 -0.902 2.460 1.00 0.00 O ATOM 1169 CB THR A 79 2.311 -3.330 0.887 1.00 0.00 C ATOM 1170 OG1 THR A 79 3.405 -4.252 0.952 1.00 0.00 O ATOM 1171 CG2 THR A 79 1.629 -3.439 -0.469 1.00 0.00 C ATOM 0 H THR A 79 3.296 -1.605 3.153 1.00 0.00 H new ATOM 0 HA THR A 79 3.370 -1.559 0.257 1.00 0.00 H new ATOM 0 HB THR A 79 1.584 -3.574 1.662 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.076 -5.162 0.796 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.281 -4.461 -0.620 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.779 -2.758 -0.505 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.337 -3.177 -1.255 1.00 0.00 H new ATOM 1179 N LEU A 80 1.206 -0.286 0.300 1.00 0.00 N ATOM 1180 CA LEU A 80 0.070 0.626 0.379 1.00 0.00 C ATOM 1181 C LEU A 80 -0.852 0.454 -0.824 1.00 0.00 C ATOM 1182 O LEU A 80 -0.390 0.296 -1.953 1.00 0.00 O ATOM 1183 CB LEU A 80 0.557 2.074 0.459 1.00 0.00 C ATOM 1184 CG LEU A 80 1.454 2.545 -0.686 1.00 0.00 C ATOM 1185 CD1 LEU A 80 0.613 3.045 -1.851 1.00 0.00 C ATOM 1186 CD2 LEU A 80 2.405 3.631 -0.207 1.00 0.00 C ATOM 0 H LEU A 80 1.641 -0.338 -0.621 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.493 0.388 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.314 2.727 0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.100 2.202 1.395 1.00 0.00 H new ATOM 0 HG LEU A 80 2.047 1.698 -1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.268 3.376 -2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.026 2.239 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.006 3.879 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.036 3.954 -1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.831 4.480 0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.031 3.239 0.594 1.00 0.00 H new ATOM 1198 N GLU A 81 -2.157 0.489 -0.573 1.00 0.00 N ATOM 1199 CA GLU A 81 -3.143 0.338 -1.637 1.00 0.00 C ATOM 1200 C GLU A 81 -4.222 1.413 -1.535 1.00 0.00 C ATOM 1201 O GLU A 81 -5.140 1.331 -0.719 1.00 0.00 O ATOM 1202 CB GLU A 81 -3.783 -1.050 -1.576 1.00 0.00 C ATOM 1203 CG GLU A 81 -5.188 -1.098 -2.152 1.00 0.00 C ATOM 1204 CD GLU A 81 -5.633 -2.508 -2.489 1.00 0.00 C ATOM 1205 OE1 GLU A 81 -5.033 -3.117 -3.400 1.00 0.00 O ATOM 1206 OE2 GLU A 81 -6.579 -3.003 -1.842 1.00 0.00 O ATOM 0 H GLU A 81 -2.556 0.620 0.357 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.630 0.452 -2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.153 -1.755 -2.118 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.813 -1.382 -0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.885 -0.662 -1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.229 -0.483 -3.051 1.00 0.00 H new ATOM 1213 N PRO A 82 -4.109 2.446 -2.383 1.00 0.00 N ATOM 1214 CA PRO A 82 -5.065 3.556 -2.409 1.00 0.00 C ATOM 1215 C PRO A 82 -6.428 3.136 -2.948 1.00 0.00 C ATOM 1216 O PRO A 82 -7.450 3.732 -2.611 1.00 0.00 O ATOM 1217 CB PRO A 82 -4.407 4.569 -3.351 1.00 0.00 C ATOM 1218 CG PRO A 82 -3.526 3.751 -4.231 1.00 0.00 C ATOM 1219 CD PRO A 82 -3.040 2.608 -3.383 1.00 0.00 C ATOM 0 HA PRO A 82 -5.263 3.946 -1.411 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.153 5.112 -3.932 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.833 5.311 -2.796 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.073 3.387 -5.101 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.690 4.342 -4.605 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.900 1.702 -3.972 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.082 2.834 -2.914 1.00 0.00 H new ATOM 1227 N ASN A 83 -6.435 2.104 -3.786 1.00 0.00 N ATOM 1228 CA ASN A 83 -7.674 1.604 -4.372 1.00 0.00 C ATOM 1229 C ASN A 83 -8.817 1.668 -3.363 1.00 0.00 C ATOM 1230 O ASN A 83 -9.770 2.425 -3.537 1.00 0.00 O ATOM 1231 CB ASN A 83 -7.488 0.166 -4.859 1.00 0.00 C ATOM 1232 CG ASN A 83 -6.754 0.094 -6.184 1.00 0.00 C ATOM 1233 OD1 ASN A 83 -7.374 0.031 -7.246 1.00 0.00 O ATOM 1234 ND2 ASN A 83 -5.428 0.104 -6.128 1.00 0.00 N ATOM 0 H ASN A 83 -5.598 1.598 -4.074 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.927 2.238 -5.222 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.935 -0.400 -4.109 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -8.464 -0.309 -4.961 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.881 0.058 -6.988 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.956 0.157 -5.225 1.00 0.00 H new ATOM 1241 N ASN A 84 -8.712 0.867 -2.308 1.00 0.00 N ATOM 1242 CA ASN A 84 -9.737 0.831 -1.271 1.00 0.00 C ATOM 1243 C ASN A 84 -9.105 0.818 0.118 1.00 0.00 C ATOM 1244 O ASN A 84 -7.885 0.913 0.258 1.00 0.00 O ATOM 1245 CB ASN A 84 -10.631 -0.397 -1.449 1.00 0.00 C ATOM 1246 CG ASN A 84 -11.551 -0.274 -2.648 1.00 0.00 C ATOM 1247 OD1 ASN A 84 -12.657 0.257 -2.543 1.00 0.00 O ATOM 1248 ND2 ASN A 84 -11.098 -0.766 -3.795 1.00 0.00 N ATOM 0 H ASN A 84 -7.928 0.234 -2.148 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.346 1.730 -1.366 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.007 -1.284 -1.563 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.229 -0.541 -0.549 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -11.673 -0.712 -4.636 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.175 -1.198 -3.836 1.00 0.00 H new ATOM 1255 N LEU A 85 -9.943 0.697 1.142 1.00 0.00 N ATOM 1256 CA LEU A 85 -9.468 0.670 2.521 1.00 0.00 C ATOM 1257 C LEU A 85 -9.339 -0.764 3.024 1.00 0.00 C ATOM 1258 O LEU A 85 -9.330 -1.011 4.230 1.00 0.00 O ATOM 1259 CB LEU A 85 -10.419 1.456 3.425 1.00 0.00 C ATOM 1260 CG LEU A 85 -11.029 2.720 2.819 1.00 0.00 C ATOM 1261 CD1 LEU A 85 -12.215 3.191 3.647 1.00 0.00 C ATOM 1262 CD2 LEU A 85 -9.982 3.819 2.711 1.00 0.00 C ATOM 0 H LEU A 85 -10.955 0.616 1.043 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.483 1.136 2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.230 0.794 3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.880 1.735 4.331 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.384 2.484 1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.636 4.092 3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -12.974 2.409 3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.886 3.410 4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.434 4.711 2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.597 4.053 3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.164 3.481 2.075 1.00 0.00 H new ATOM 1274 N TRP A 86 -9.237 -1.705 2.092 1.00 0.00 N ATOM 1275 CA TRP A 86 -9.106 -3.115 2.442 1.00 0.00 C ATOM 1276 C TRP A 86 -8.009 -3.780 1.618 1.00 0.00 C ATOM 1277 O TRP A 86 -7.786 -3.424 0.461 1.00 0.00 O ATOM 1278 CB TRP A 86 -10.435 -3.841 2.225 1.00 0.00 C ATOM 1279 CG TRP A 86 -10.928 -3.768 0.811 1.00 0.00 C ATOM 1280 CD1 TRP A 86 -11.722 -2.798 0.269 1.00 0.00 C ATOM 1281 CD2 TRP A 86 -10.660 -4.704 -0.239 1.00 0.00 C ATOM 1282 NE1 TRP A 86 -11.965 -3.075 -1.055 1.00 0.00 N ATOM 1283 CE2 TRP A 86 -11.324 -4.237 -1.391 1.00 0.00 C ATOM 1284 CE3 TRP A 86 -9.923 -5.888 -0.319 1.00 0.00 C ATOM 1285 CZ2 TRP A 86 -11.272 -4.916 -2.605 1.00 0.00 C ATOM 1286 CZ3 TRP A 86 -9.873 -6.561 -1.525 1.00 0.00 C ATOM 1287 CH2 TRP A 86 -10.543 -6.073 -2.655 1.00 0.00 C ATOM 0 H TRP A 86 -9.242 -1.518 1.089 1.00 0.00 H new ATOM 0 HA TRP A 86 -8.833 -3.179 3.495 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -10.320 -4.887 2.508 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -11.187 -3.412 2.887 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -12.103 -1.940 0.802 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -12.531 -2.507 -1.685 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -9.402 -6.271 0.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -11.789 -4.543 -3.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -9.308 -7.479 -1.598 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -10.483 -6.621 -3.584 1.00 0.00 H new ATOM 1298 N TYR A 87 -7.327 -4.747 2.221 1.00 0.00 N ATOM 1299 CA TYR A 87 -6.251 -5.461 1.543 1.00 0.00 C ATOM 1300 C TYR A 87 -6.381 -6.967 1.750 1.00 0.00 C ATOM 1301 O TYR A 87 -6.504 -7.443 2.879 1.00 0.00 O ATOM 1302 CB TYR A 87 -4.891 -4.981 2.054 1.00 0.00 C ATOM 1303 CG TYR A 87 -3.747 -5.295 1.117 1.00 0.00 C ATOM 1304 CD1 TYR A 87 -3.406 -6.610 0.823 1.00 0.00 C ATOM 1305 CD2 TYR A 87 -3.006 -4.279 0.527 1.00 0.00 C ATOM 1306 CE1 TYR A 87 -2.361 -6.902 -0.032 1.00 0.00 C ATOM 1307 CE2 TYR A 87 -1.961 -4.562 -0.330 1.00 0.00 C ATOM 1308 CZ TYR A 87 -1.642 -5.875 -0.607 1.00 0.00 C ATOM 1309 OH TYR A 87 -0.600 -6.161 -1.459 1.00 0.00 O ATOM 0 H TYR A 87 -7.500 -5.055 3.178 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.326 -5.251 0.476 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.932 -3.904 2.215 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.693 -5.441 3.022 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.967 -7.417 1.270 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.252 -3.250 0.742 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.108 -7.929 -0.249 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.396 -3.759 -0.781 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.354 -5.354 -1.958 1.00 0.00 H new ATOM 1319 N LEU A 88 -6.353 -7.712 0.651 1.00 0.00 N ATOM 1320 CA LEU A 88 -6.467 -9.166 0.709 1.00 0.00 C ATOM 1321 C LEU A 88 -5.122 -9.829 0.429 1.00 0.00 C ATOM 1322 O LEU A 88 -4.649 -9.843 -0.707 1.00 0.00 O ATOM 1323 CB LEU A 88 -7.509 -9.656 -0.298 1.00 0.00 C ATOM 1324 CG LEU A 88 -7.890 -11.134 -0.204 1.00 0.00 C ATOM 1325 CD1 LEU A 88 -6.746 -12.012 -0.688 1.00 0.00 C ATOM 1326 CD2 LEU A 88 -8.275 -11.495 1.223 1.00 0.00 C ATOM 0 H LEU A 88 -6.252 -7.334 -0.291 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.785 -9.441 1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.413 -9.060 -0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -7.134 -9.461 -1.303 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.752 -11.309 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.035 -13.060 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.517 -11.771 -1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.865 -11.834 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -8.543 -12.550 1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.432 -11.304 1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -9.126 -10.890 1.534 1.00 0.00 H new ATOM 1338 N PHE A 89 -4.511 -10.380 1.473 1.00 0.00 N ATOM 1339 CA PHE A 89 -3.221 -11.046 1.340 1.00 0.00 C ATOM 1340 C PHE A 89 -3.399 -12.558 1.233 1.00 0.00 C ATOM 1341 O PHE A 89 -4.285 -13.138 1.861 1.00 0.00 O ATOM 1342 CB PHE A 89 -2.324 -10.710 2.534 1.00 0.00 C ATOM 1343 CG PHE A 89 -1.836 -9.290 2.535 1.00 0.00 C ATOM 1344 CD1 PHE A 89 -0.652 -8.950 1.899 1.00 0.00 C ATOM 1345 CD2 PHE A 89 -2.559 -8.295 3.172 1.00 0.00 C ATOM 1346 CE1 PHE A 89 -0.200 -7.644 1.898 1.00 0.00 C ATOM 1347 CE2 PHE A 89 -2.112 -6.987 3.174 1.00 0.00 C ATOM 1348 CZ PHE A 89 -0.931 -6.662 2.538 1.00 0.00 C ATOM 0 H PHE A 89 -4.889 -10.378 2.420 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.747 -10.687 0.426 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.874 -10.897 3.456 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.465 -11.381 2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.076 -9.715 1.399 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.483 -8.544 3.673 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.723 -7.392 1.398 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.686 -6.220 3.673 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.579 -5.641 2.541 1.00 0.00 H new ATOM 1358 N THR A 90 -2.549 -13.192 0.431 1.00 0.00 N ATOM 1359 CA THR A 90 -2.611 -14.636 0.239 1.00 0.00 C ATOM 1360 C THR A 90 -1.217 -15.230 0.077 1.00 0.00 C ATOM 1361 O THR A 90 -0.300 -14.565 -0.405 1.00 0.00 O ATOM 1362 CB THR A 90 -3.459 -15.002 -0.994 1.00 0.00 C ATOM 1363 OG1 THR A 90 -2.717 -14.749 -2.192 1.00 0.00 O ATOM 1364 CG2 THR A 90 -4.754 -14.204 -1.016 1.00 0.00 C ATOM 0 H THR A 90 -1.809 -12.728 -0.096 1.00 0.00 H new ATOM 0 HA THR A 90 -3.079 -15.054 1.130 1.00 0.00 H new ATOM 0 HB THR A 90 -3.705 -16.062 -0.937 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.263 -14.986 -2.971 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.336 -14.479 -1.895 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.330 -14.421 -0.117 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.525 -13.139 -1.052 1.00 0.00 H new ATOM 1372 N GLY A 91 -1.063 -16.487 0.483 1.00 0.00 N ATOM 1373 CA GLY A 91 0.223 -17.150 0.373 1.00 0.00 C ATOM 1374 C GLY A 91 1.031 -17.063 1.653 1.00 0.00 C ATOM 1375 O GLY A 91 2.145 -16.538 1.659 1.00 0.00 O ATOM 0 H GLY A 91 -1.806 -17.058 0.886 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.067 -18.198 0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.791 -16.702 -0.443 1.00 0.00 H new ATOM 1379 N LEU A 92 0.469 -17.577 2.741 1.00 0.00 N ATOM 1380 CA LEU A 92 1.143 -17.555 4.035 1.00 0.00 C ATOM 1381 C LEU A 92 1.274 -18.963 4.605 1.00 0.00 C ATOM 1382 O LEU A 92 0.542 -19.871 4.215 1.00 0.00 O ATOM 1383 CB LEU A 92 0.379 -16.663 5.015 1.00 0.00 C ATOM 1384 CG LEU A 92 -0.301 -15.433 4.414 1.00 0.00 C ATOM 1385 CD1 LEU A 92 -1.439 -14.962 5.306 1.00 0.00 C ATOM 1386 CD2 LEU A 92 0.709 -14.315 4.201 1.00 0.00 C ATOM 0 H LEU A 92 -0.452 -18.014 2.753 1.00 0.00 H new ATOM 0 HA LEU A 92 2.144 -17.149 3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.381 -17.268 5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.072 -16.329 5.787 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.717 -15.710 3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.911 -14.086 4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.176 -15.759 5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.047 -14.703 6.290 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.207 -13.448 3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.155 -14.041 5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.490 -14.655 3.521 1.00 0.00 H new ATOM 1398 N GLU A 93 2.210 -19.135 5.534 1.00 0.00 N ATOM 1399 CA GLU A 93 2.435 -20.433 6.159 1.00 0.00 C ATOM 1400 C GLU A 93 1.414 -20.689 7.264 1.00 0.00 C ATOM 1401 O GLU A 93 1.280 -19.897 8.197 1.00 0.00 O ATOM 1402 CB GLU A 93 3.852 -20.510 6.731 1.00 0.00 C ATOM 1403 CG GLU A 93 4.420 -21.919 6.766 1.00 0.00 C ATOM 1404 CD GLU A 93 5.002 -22.346 5.432 1.00 0.00 C ATOM 1405 OE1 GLU A 93 4.220 -22.756 4.549 1.00 0.00 O ATOM 1406 OE2 GLU A 93 6.238 -22.270 5.272 1.00 0.00 O ATOM 0 H GLU A 93 2.824 -18.393 5.870 1.00 0.00 H new ATOM 0 HA GLU A 93 2.318 -21.201 5.394 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.510 -19.877 6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.849 -20.104 7.742 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.194 -21.976 7.531 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.634 -22.617 7.055 1.00 0.00 H new ATOM 1413 N LYS A 94 0.696 -21.801 7.151 1.00 0.00 N ATOM 1414 CA LYS A 94 -0.313 -22.164 8.139 1.00 0.00 C ATOM 1415 C LYS A 94 0.298 -22.251 9.534 1.00 0.00 C ATOM 1416 O LYS A 94 1.436 -22.687 9.698 1.00 0.00 O ATOM 1417 CB LYS A 94 -0.961 -23.500 7.770 1.00 0.00 C ATOM 1418 CG LYS A 94 -0.010 -24.682 7.860 1.00 0.00 C ATOM 1419 CD LYS A 94 -0.640 -25.948 7.305 1.00 0.00 C ATOM 1420 CE LYS A 94 0.411 -26.896 6.748 1.00 0.00 C ATOM 1421 NZ LYS A 94 0.712 -26.610 5.318 1.00 0.00 N ATOM 0 H LYS A 94 0.794 -22.467 6.385 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.077 -21.386 8.144 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.811 -23.677 8.430 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.353 -23.436 6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.904 -24.458 7.310 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.275 -24.842 8.900 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.204 -26.450 8.091 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.350 -25.688 6.520 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.325 -26.811 7.336 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.062 -27.924 6.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.433 -27.277 4.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.155 -26.716 4.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.069 -25.637 5.226 1.00 0.00 H new ATOM 1435 N GLY A 95 -0.468 -21.833 10.538 1.00 0.00 N ATOM 1436 CA GLY A 95 0.015 -21.873 11.906 1.00 0.00 C ATOM 1437 C GLY A 95 1.224 -20.985 12.120 1.00 0.00 C ATOM 1438 O GLY A 95 2.336 -21.475 12.317 1.00 0.00 O ATOM 0 H GLY A 95 -1.414 -21.468 10.428 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.784 -21.562 12.579 1.00 0.00 H new ATOM 0 HA3 GLY A 95 0.271 -22.900 12.168 1.00 0.00 H new ATOM 1442 N SER A 96 1.008 -19.674 12.081 1.00 0.00 N ATOM 1443 CA SER A 96 2.091 -18.715 12.267 1.00 0.00 C ATOM 1444 C SER A 96 1.550 -17.373 12.751 1.00 0.00 C ATOM 1445 O SER A 96 0.339 -17.158 12.790 1.00 0.00 O ATOM 1446 CB SER A 96 2.862 -18.525 10.959 1.00 0.00 C ATOM 1447 OG SER A 96 2.992 -19.751 10.261 1.00 0.00 O ATOM 0 H SER A 96 0.093 -19.252 11.922 1.00 0.00 H new ATOM 0 HA SER A 96 2.767 -19.110 13.025 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.346 -17.799 10.331 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.850 -18.117 11.172 1.00 0.00 H new ATOM 0 HG SER A 96 2.221 -19.873 9.668 1.00 0.00 H new ATOM 1453 N GLN A 97 2.458 -16.475 13.119 1.00 0.00 N ATOM 1454 CA GLN A 97 2.073 -15.154 13.602 1.00 0.00 C ATOM 1455 C GLN A 97 2.508 -14.068 12.623 1.00 0.00 C ATOM 1456 O GLN A 97 3.603 -14.126 12.063 1.00 0.00 O ATOM 1457 CB GLN A 97 2.687 -14.892 14.979 1.00 0.00 C ATOM 1458 CG GLN A 97 2.088 -13.691 15.693 1.00 0.00 C ATOM 1459 CD GLN A 97 2.587 -13.551 17.118 1.00 0.00 C ATOM 1460 OE1 GLN A 97 3.556 -12.839 17.381 1.00 0.00 O ATOM 1461 NE2 GLN A 97 1.925 -14.232 18.046 1.00 0.00 N ATOM 0 H GLN A 97 3.465 -16.638 13.092 1.00 0.00 H new ATOM 0 HA GLN A 97 0.987 -15.128 13.686 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.555 -15.777 15.601 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.760 -14.739 14.866 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.329 -12.785 15.137 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.002 -13.781 15.700 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.127 -14.810 17.782 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.214 -14.177 19.023 1.00 0.00 H new ATOM 1470 N TYR A 98 1.644 -13.080 12.422 1.00 0.00 N ATOM 1471 CA TYR A 98 1.939 -11.982 11.508 1.00 0.00 C ATOM 1472 C TYR A 98 1.529 -10.643 12.115 1.00 0.00 C ATOM 1473 O TYR A 98 0.592 -10.570 12.909 1.00 0.00 O ATOM 1474 CB TYR A 98 1.217 -12.192 10.176 1.00 0.00 C ATOM 1475 CG TYR A 98 1.914 -13.171 9.258 1.00 0.00 C ATOM 1476 CD1 TYR A 98 2.890 -12.744 8.366 1.00 0.00 C ATOM 1477 CD2 TYR A 98 1.597 -14.524 9.284 1.00 0.00 C ATOM 1478 CE1 TYR A 98 3.528 -13.635 7.525 1.00 0.00 C ATOM 1479 CE2 TYR A 98 2.232 -15.422 8.448 1.00 0.00 C ATOM 1480 CZ TYR A 98 3.196 -14.973 7.570 1.00 0.00 C ATOM 1481 OH TYR A 98 3.831 -15.864 6.735 1.00 0.00 O ATOM 0 H TYR A 98 0.734 -13.016 12.879 1.00 0.00 H new ATOM 0 HA TYR A 98 3.015 -11.968 11.333 1.00 0.00 H new ATOM 0 HB2 TYR A 98 0.206 -12.548 10.373 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.124 -11.232 9.667 1.00 0.00 H new ATOM 0 HD1 TYR A 98 3.154 -11.697 8.330 1.00 0.00 H new ATOM 0 HD2 TYR A 98 0.842 -14.879 9.969 1.00 0.00 H new ATOM 0 HE1 TYR A 98 4.283 -13.286 6.836 1.00 0.00 H new ATOM 0 HE2 TYR A 98 1.975 -16.470 8.482 1.00 0.00 H new ATOM 0 HH TYR A 98 3.482 -16.766 6.893 1.00 0.00 H new ATOM 1491 N SER A 99 2.239 -9.586 11.734 1.00 0.00 N ATOM 1492 CA SER A 99 1.953 -8.250 12.242 1.00 0.00 C ATOM 1493 C SER A 99 1.327 -7.379 11.157 1.00 0.00 C ATOM 1494 O SER A 99 1.462 -7.658 9.966 1.00 0.00 O ATOM 1495 CB SER A 99 3.234 -7.594 12.763 1.00 0.00 C ATOM 1496 OG SER A 99 4.077 -8.547 13.387 1.00 0.00 O ATOM 0 H SER A 99 3.016 -9.629 11.075 1.00 0.00 H new ATOM 0 HA SER A 99 1.242 -8.345 13.063 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.765 -7.119 11.938 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.981 -6.807 13.474 1.00 0.00 H new ATOM 0 HG SER A 99 4.889 -8.104 13.710 1.00 0.00 H new ATOM 1502 N PHE A 100 0.641 -6.322 11.579 1.00 0.00 N ATOM 1503 CA PHE A 100 -0.008 -5.409 10.645 1.00 0.00 C ATOM 1504 C PHE A 100 -0.080 -3.999 11.223 1.00 0.00 C ATOM 1505 O PHE A 100 0.214 -3.784 12.399 1.00 0.00 O ATOM 1506 CB PHE A 100 -1.416 -5.907 10.308 1.00 0.00 C ATOM 1507 CG PHE A 100 -1.426 -7.145 9.458 1.00 0.00 C ATOM 1508 CD1 PHE A 100 -1.396 -8.401 10.041 1.00 0.00 C ATOM 1509 CD2 PHE A 100 -1.466 -7.052 8.076 1.00 0.00 C ATOM 1510 CE1 PHE A 100 -1.406 -9.543 9.261 1.00 0.00 C ATOM 1511 CE2 PHE A 100 -1.476 -8.190 7.292 1.00 0.00 C ATOM 1512 CZ PHE A 100 -1.445 -9.437 7.885 1.00 0.00 C ATOM 0 H PHE A 100 0.520 -6.076 12.562 1.00 0.00 H new ATOM 0 HA PHE A 100 0.588 -5.378 9.733 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.953 -6.108 11.235 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.958 -5.116 9.790 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.364 -8.490 11.117 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.490 -6.080 7.607 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.383 -10.517 9.728 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -1.508 -8.104 6.216 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.451 -10.327 7.274 1.00 0.00 H new ATOM 1522 N GLN A 101 -0.471 -3.043 10.388 1.00 0.00 N ATOM 1523 CA GLN A 101 -0.580 -1.653 10.815 1.00 0.00 C ATOM 1524 C GLN A 101 -1.277 -0.809 9.753 1.00 0.00 C ATOM 1525 O GLN A 101 -1.187 -1.097 8.559 1.00 0.00 O ATOM 1526 CB GLN A 101 0.806 -1.078 11.111 1.00 0.00 C ATOM 1527 CG GLN A 101 0.816 0.433 11.272 1.00 0.00 C ATOM 1528 CD GLN A 101 2.214 1.017 11.213 1.00 0.00 C ATOM 1529 OE1 GLN A 101 3.043 0.670 12.191 1.00 0.00 O flip ATOM 1530 NE2 GLN A 101 2.546 1.772 10.298 1.00 0.00 N flip ATOM 0 H GLN A 101 -0.718 -3.205 9.412 1.00 0.00 H new ATOM 0 HA GLN A 101 -1.179 -1.626 11.725 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.193 -1.535 12.022 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.484 -1.354 10.304 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.205 0.882 10.489 1.00 0.00 H new ATOM 0 HG3 GLN A 101 0.356 0.696 12.225 1.00 0.00 H new ATOM 0 HE21 GLN A 101 1.877 2.012 9.567 1.00 0.00 H new ATOM 0 HE22 GLN A 101 3.490 2.157 10.272 1.00 0.00 H new ATOM 1539 N VAL A 102 -1.973 0.233 10.195 1.00 0.00 N ATOM 1540 CA VAL A 102 -2.686 1.119 9.282 1.00 0.00 C ATOM 1541 C VAL A 102 -2.420 2.583 9.617 1.00 0.00 C ATOM 1542 O VAL A 102 -2.257 2.944 10.783 1.00 0.00 O ATOM 1543 CB VAL A 102 -4.204 0.863 9.322 1.00 0.00 C ATOM 1544 CG1 VAL A 102 -4.921 1.748 8.314 1.00 0.00 C ATOM 1545 CG2 VAL A 102 -4.503 -0.606 9.062 1.00 0.00 C ATOM 0 H VAL A 102 -2.059 0.485 11.180 1.00 0.00 H new ATOM 0 HA VAL A 102 -2.315 0.905 8.280 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.572 1.115 10.317 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -5.993 1.553 8.356 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -4.733 2.795 8.551 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.552 1.530 7.312 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -5.580 -0.769 9.094 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -4.122 -0.886 8.080 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.021 -1.216 9.826 1.00 0.00 H new ATOM 1555 N SER A 103 -2.376 3.422 8.587 1.00 0.00 N ATOM 1556 CA SER A 103 -2.127 4.846 8.772 1.00 0.00 C ATOM 1557 C SER A 103 -2.733 5.656 7.630 1.00 0.00 C ATOM 1558 O SER A 103 -2.391 5.460 6.464 1.00 0.00 O ATOM 1559 CB SER A 103 -0.623 5.115 8.860 1.00 0.00 C ATOM 1560 OG SER A 103 -0.354 6.248 9.667 1.00 0.00 O ATOM 0 H SER A 103 -2.510 3.140 7.616 1.00 0.00 H new ATOM 0 HA SER A 103 -2.600 5.154 9.705 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.118 4.242 9.273 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.220 5.273 7.860 1.00 0.00 H new ATOM 0 HG SER A 103 0.588 6.500 9.573 1.00 0.00 H new ATOM 1566 N ALA A 104 -3.637 6.568 7.975 1.00 0.00 N ATOM 1567 CA ALA A 104 -4.290 7.410 6.980 1.00 0.00 C ATOM 1568 C ALA A 104 -3.340 8.483 6.459 1.00 0.00 C ATOM 1569 O ALA A 104 -2.774 9.253 7.234 1.00 0.00 O ATOM 1570 CB ALA A 104 -5.539 8.049 7.568 1.00 0.00 C ATOM 0 H ALA A 104 -3.933 6.742 8.935 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.579 6.779 6.140 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.017 8.675 6.814 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.232 7.269 7.884 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.265 8.661 8.427 1.00 0.00 H new ATOM 1576 N MET A 105 -3.169 8.526 5.142 1.00 0.00 N ATOM 1577 CA MET A 105 -2.287 9.506 4.518 1.00 0.00 C ATOM 1578 C MET A 105 -3.092 10.629 3.873 1.00 0.00 C ATOM 1579 O MET A 105 -4.033 10.379 3.119 1.00 0.00 O ATOM 1580 CB MET A 105 -1.400 8.831 3.470 1.00 0.00 C ATOM 1581 CG MET A 105 -0.112 8.260 4.040 1.00 0.00 C ATOM 1582 SD MET A 105 1.093 7.855 2.762 1.00 0.00 S ATOM 1583 CE MET A 105 0.467 6.276 2.194 1.00 0.00 C ATOM 0 H MET A 105 -3.629 7.894 4.486 1.00 0.00 H new ATOM 0 HA MET A 105 -1.655 9.936 5.295 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.963 8.029 2.992 1.00 0.00 H new ATOM 0 HB3 MET A 105 -1.154 9.555 2.693 1.00 0.00 H new ATOM 0 HG2 MET A 105 0.326 8.980 4.731 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.340 7.363 4.616 1.00 0.00 H new ATOM 0 HE1 MET A 105 1.278 5.548 2.178 1.00 0.00 H new ATOM 0 HE2 MET A 105 -0.317 5.931 2.869 1.00 0.00 H new ATOM 0 HE3 MET A 105 0.058 6.387 1.190 1.00 0.00 H new ATOM 1593 N THR A 106 -2.717 11.869 4.174 1.00 0.00 N ATOM 1594 CA THR A 106 -3.405 13.030 3.624 1.00 0.00 C ATOM 1595 C THR A 106 -2.511 13.789 2.650 1.00 0.00 C ATOM 1596 O THR A 106 -1.325 13.487 2.516 1.00 0.00 O ATOM 1597 CB THR A 106 -3.863 13.991 4.738 1.00 0.00 C ATOM 1598 OG1 THR A 106 -2.724 14.567 5.387 1.00 0.00 O ATOM 1599 CG2 THR A 106 -4.722 13.263 5.761 1.00 0.00 C ATOM 0 H THR A 106 -1.940 12.094 4.796 1.00 0.00 H new ATOM 0 HA THR A 106 -4.281 12.656 3.093 1.00 0.00 H new ATOM 0 HB THR A 106 -4.460 14.782 4.283 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.034 13.881 5.507 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.033 13.962 6.538 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.603 12.851 5.269 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.146 12.454 6.210 1.00 0.00 H new ATOM 1607 N VAL A 107 -3.087 14.777 1.973 1.00 0.00 N ATOM 1608 CA VAL A 107 -2.341 15.581 1.012 1.00 0.00 C ATOM 1609 C VAL A 107 -1.133 16.241 1.668 1.00 0.00 C ATOM 1610 O VAL A 107 -0.103 16.448 1.028 1.00 0.00 O ATOM 1611 CB VAL A 107 -3.229 16.671 0.383 1.00 0.00 C ATOM 1612 CG1 VAL A 107 -3.360 17.861 1.322 1.00 0.00 C ATOM 1613 CG2 VAL A 107 -2.668 17.104 -0.963 1.00 0.00 C ATOM 0 H VAL A 107 -4.068 15.040 2.072 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.001 14.903 0.229 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.223 16.255 0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.991 18.621 0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.810 17.536 2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.373 18.280 1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.308 17.874 -1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.662 17.502 -0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.631 16.246 -1.635 1.00 0.00 H new ATOM 1623 N ASN A 108 -1.266 16.567 2.949 1.00 0.00 N ATOM 1624 CA ASN A 108 -0.185 17.203 3.692 1.00 0.00 C ATOM 1625 C ASN A 108 0.924 16.203 4.004 1.00 0.00 C ATOM 1626 O ASN A 108 2.091 16.439 3.696 1.00 0.00 O ATOM 1627 CB ASN A 108 -0.719 17.810 4.992 1.00 0.00 C ATOM 1628 CG ASN A 108 -1.843 18.799 4.749 1.00 0.00 C ATOM 1629 OD1 ASN A 108 -2.947 18.642 5.272 1.00 0.00 O ATOM 1630 ND2 ASN A 108 -1.567 19.824 3.952 1.00 0.00 N ATOM 0 H ASN A 108 -2.112 16.401 3.494 1.00 0.00 H new ATOM 0 HA ASN A 108 0.230 17.997 3.071 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -1.075 17.012 5.643 1.00 0.00 H new ATOM 0 HB3 ASN A 108 0.094 18.310 5.517 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -2.284 20.521 3.751 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -0.638 19.914 3.540 1.00 0.00 H new ATOM 1637 N GLY A 109 0.549 15.083 4.615 1.00 0.00 N ATOM 1638 CA GLY A 109 1.523 14.063 4.958 1.00 0.00 C ATOM 1639 C GLY A 109 0.887 12.850 5.607 1.00 0.00 C ATOM 1640 O GLY A 109 -0.336 12.705 5.609 1.00 0.00 O ATOM 0 H GLY A 109 -0.412 14.864 4.878 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.053 13.753 4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 109 2.265 14.486 5.635 1.00 0.00 H new ATOM 1644 N THR A 110 1.719 11.973 6.160 1.00 0.00 N ATOM 1645 CA THR A 110 1.233 10.764 6.813 1.00 0.00 C ATOM 1646 C THR A 110 1.175 10.942 8.326 1.00 0.00 C ATOM 1647 O THR A 110 1.818 11.832 8.881 1.00 0.00 O ATOM 1648 CB THR A 110 2.122 9.550 6.483 1.00 0.00 C ATOM 1649 OG1 THR A 110 2.496 9.578 5.101 1.00 0.00 O ATOM 1650 CG2 THR A 110 1.397 8.249 6.792 1.00 0.00 C ATOM 0 H THR A 110 2.734 12.078 6.169 1.00 0.00 H new ATOM 0 HA THR A 110 0.228 10.582 6.433 1.00 0.00 H new ATOM 0 HB THR A 110 3.018 9.604 7.102 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.062 8.804 4.900 1.00 0.00 H new ATOM 0 HG21 THR A 110 2.044 7.406 6.551 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.140 8.218 7.851 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.486 8.189 6.196 1.00 0.00 H new ATOM 1658 N GLY A 111 0.401 10.088 8.988 1.00 0.00 N ATOM 1659 CA GLY A 111 0.274 10.167 10.432 1.00 0.00 C ATOM 1660 C GLY A 111 1.039 9.068 11.142 1.00 0.00 C ATOM 1661 O GLY A 111 1.721 8.254 10.519 1.00 0.00 O ATOM 0 H GLY A 111 -0.141 9.343 8.550 1.00 0.00 H new ATOM 0 HA2 GLY A 111 0.637 11.137 10.773 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -0.780 10.107 10.705 1.00 0.00 H new ATOM 1665 N PRO A 112 0.931 9.035 12.479 1.00 0.00 N ATOM 1666 CA PRO A 112 1.612 8.033 13.304 1.00 0.00 C ATOM 1667 C PRO A 112 1.023 6.637 13.124 1.00 0.00 C ATOM 1668 O PRO A 112 -0.169 6.468 12.868 1.00 0.00 O ATOM 1669 CB PRO A 112 1.379 8.531 14.732 1.00 0.00 C ATOM 1670 CG PRO A 112 0.131 9.341 14.652 1.00 0.00 C ATOM 1671 CD PRO A 112 0.135 9.974 13.288 1.00 0.00 C ATOM 0 HA PRO A 112 2.665 7.934 13.039 1.00 0.00 H new ATOM 0 HB2 PRO A 112 1.267 7.700 15.428 1.00 0.00 H new ATOM 0 HB3 PRO A 112 2.218 9.131 15.084 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.750 8.714 14.789 1.00 0.00 H new ATOM 0 HG3 PRO A 112 0.107 10.100 15.434 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -0.875 10.087 12.894 1.00 0.00 H new ATOM 0 HD3 PRO A 112 0.583 10.968 13.307 1.00 0.00 H new ATOM 1679 N PRO A 113 1.878 5.612 13.261 1.00 0.00 N ATOM 1680 CA PRO A 113 1.464 4.213 13.118 1.00 0.00 C ATOM 1681 C PRO A 113 0.574 3.752 14.267 1.00 0.00 C ATOM 1682 O PRO A 113 0.853 4.032 15.433 1.00 0.00 O ATOM 1683 CB PRO A 113 2.790 3.449 13.130 1.00 0.00 C ATOM 1684 CG PRO A 113 3.729 4.330 13.879 1.00 0.00 C ATOM 1685 CD PRO A 113 3.313 5.740 13.565 1.00 0.00 C ATOM 0 HA PRO A 113 0.871 4.053 12.217 1.00 0.00 H new ATOM 0 HB2 PRO A 113 2.684 2.479 13.617 1.00 0.00 H new ATOM 0 HB3 PRO A 113 3.147 3.260 12.118 1.00 0.00 H new ATOM 0 HG2 PRO A 113 3.675 4.137 14.950 1.00 0.00 H new ATOM 0 HG3 PRO A 113 4.760 4.150 13.574 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.487 6.408 14.409 1.00 0.00 H new ATOM 0 HD3 PRO A 113 3.869 6.144 12.719 1.00 0.00 H new ATOM 1693 N SER A 114 -0.499 3.043 13.931 1.00 0.00 N ATOM 1694 CA SER A 114 -1.433 2.546 14.934 1.00 0.00 C ATOM 1695 C SER A 114 -0.872 1.310 15.633 1.00 0.00 C ATOM 1696 O SER A 114 0.099 0.711 15.173 1.00 0.00 O ATOM 1697 CB SER A 114 -2.779 2.214 14.289 1.00 0.00 C ATOM 1698 OG SER A 114 -2.780 0.900 13.757 1.00 0.00 O ATOM 0 H SER A 114 -0.743 2.800 12.971 1.00 0.00 H new ATOM 0 HA SER A 114 -1.579 3.329 15.678 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.574 2.311 15.029 1.00 0.00 H new ATOM 0 HB3 SER A 114 -2.992 2.931 13.496 1.00 0.00 H new ATOM 0 HG SER A 114 -3.107 0.921 12.833 1.00 0.00 H new ATOM 1704 N ASN A 115 -1.492 0.936 16.747 1.00 0.00 N ATOM 1705 CA ASN A 115 -1.056 -0.228 17.510 1.00 0.00 C ATOM 1706 C ASN A 115 -0.819 -1.423 16.592 1.00 0.00 C ATOM 1707 O ASN A 115 -1.661 -1.753 15.756 1.00 0.00 O ATOM 1708 CB ASN A 115 -2.097 -0.585 18.573 1.00 0.00 C ATOM 1709 CG ASN A 115 -2.499 0.611 19.414 1.00 0.00 C ATOM 1710 OD1 ASN A 115 -2.679 1.714 18.898 1.00 0.00 O ATOM 1711 ND2 ASN A 115 -2.641 0.397 20.717 1.00 0.00 N ATOM 0 H ASN A 115 -2.298 1.422 17.142 1.00 0.00 H new ATOM 0 HA ASN A 115 -0.115 0.022 18.001 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -2.981 -0.998 18.087 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.697 -1.364 19.222 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -2.910 1.164 21.333 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -2.481 -0.534 21.101 1.00 0.00 H new ATOM 1718 N TRP A 116 0.330 -2.068 16.754 1.00 0.00 N ATOM 1719 CA TRP A 116 0.678 -3.227 15.941 1.00 0.00 C ATOM 1720 C TRP A 116 -0.229 -4.409 16.262 1.00 0.00 C ATOM 1721 O TRP A 116 -0.034 -5.099 17.263 1.00 0.00 O ATOM 1722 CB TRP A 116 2.140 -3.614 16.166 1.00 0.00 C ATOM 1723 CG TRP A 116 3.104 -2.776 15.383 1.00 0.00 C ATOM 1724 CD1 TRP A 116 3.787 -1.680 15.828 1.00 0.00 C ATOM 1725 CD2 TRP A 116 3.490 -2.964 14.017 1.00 0.00 C ATOM 1726 NE1 TRP A 116 4.575 -1.176 14.821 1.00 0.00 N ATOM 1727 CE2 TRP A 116 4.411 -1.946 13.700 1.00 0.00 C ATOM 1728 CE3 TRP A 116 3.150 -3.894 13.031 1.00 0.00 C ATOM 1729 CZ2 TRP A 116 4.992 -1.834 12.440 1.00 0.00 C ATOM 1730 CZ3 TRP A 116 3.727 -3.781 11.781 1.00 0.00 C ATOM 1731 CH2 TRP A 116 4.640 -2.758 11.494 1.00 0.00 C ATOM 0 H TRP A 116 1.037 -1.808 17.442 1.00 0.00 H new ATOM 0 HA TRP A 116 0.538 -2.960 14.894 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.372 -3.526 17.227 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.277 -4.661 15.895 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.718 -1.270 16.825 1.00 0.00 H new ATOM 0 HE1 TRP A 116 5.183 -0.361 14.896 1.00 0.00 H new ATOM 0 HE3 TRP A 116 2.448 -4.687 13.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 5.696 -1.046 12.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.470 -4.494 11.012 1.00 0.00 H new ATOM 0 HH2 TRP A 116 5.074 -2.697 10.507 1.00 0.00 H new ATOM 1742 N TYR A 117 -1.221 -4.638 15.408 1.00 0.00 N ATOM 1743 CA TYR A 117 -2.160 -5.737 15.603 1.00 0.00 C ATOM 1744 C TYR A 117 -1.572 -7.052 15.100 1.00 0.00 C ATOM 1745 O TYR A 117 -1.038 -7.124 13.992 1.00 0.00 O ATOM 1746 CB TYR A 117 -3.476 -5.444 14.882 1.00 0.00 C ATOM 1747 CG TYR A 117 -4.313 -4.381 15.557 1.00 0.00 C ATOM 1748 CD1 TYR A 117 -4.097 -3.033 15.302 1.00 0.00 C ATOM 1749 CD2 TYR A 117 -5.321 -4.726 16.449 1.00 0.00 C ATOM 1750 CE1 TYR A 117 -4.859 -2.059 15.917 1.00 0.00 C ATOM 1751 CE2 TYR A 117 -6.089 -3.758 17.068 1.00 0.00 C ATOM 1752 CZ TYR A 117 -5.854 -2.426 16.799 1.00 0.00 C ATOM 1753 OH TYR A 117 -6.616 -1.459 17.413 1.00 0.00 O ATOM 0 H TYR A 117 -1.396 -4.077 14.574 1.00 0.00 H new ATOM 0 HA TYR A 117 -2.352 -5.832 16.672 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -3.259 -5.130 13.861 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.057 -6.364 14.816 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -3.320 -2.741 14.611 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -5.507 -5.768 16.662 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -4.677 -1.015 15.708 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -6.869 -4.043 17.759 1.00 0.00 H new ATOM 0 HH TYR A 117 -7.273 -1.885 18.003 1.00 0.00 H new ATOM 1763 N THR A 118 -1.675 -8.091 15.922 1.00 0.00 N ATOM 1764 CA THR A 118 -1.154 -9.404 15.562 1.00 0.00 C ATOM 1765 C THR A 118 -2.282 -10.363 15.201 1.00 0.00 C ATOM 1766 O THR A 118 -3.378 -10.284 15.755 1.00 0.00 O ATOM 1767 CB THR A 118 -0.326 -10.013 16.709 1.00 0.00 C ATOM 1768 OG1 THR A 118 0.295 -8.972 17.472 1.00 0.00 O ATOM 1769 CG2 THR A 118 0.739 -10.955 16.167 1.00 0.00 C ATOM 0 H THR A 118 -2.114 -8.049 16.842 1.00 0.00 H new ATOM 0 HA THR A 118 -0.510 -9.261 14.694 1.00 0.00 H new ATOM 0 HB THR A 118 -0.999 -10.581 17.351 1.00 0.00 H new ATOM 0 HG1 THR A 118 0.818 -9.368 18.200 1.00 0.00 H new ATOM 0 HG21 THR A 118 1.311 -11.373 16.996 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.262 -11.763 15.612 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.408 -10.405 15.505 1.00 0.00 H new ATOM 1777 N ALA A 119 -2.006 -11.269 14.268 1.00 0.00 N ATOM 1778 CA ALA A 119 -2.998 -12.245 13.835 1.00 0.00 C ATOM 1779 C ALA A 119 -2.379 -13.632 13.695 1.00 0.00 C ATOM 1780 O ALA A 119 -1.366 -13.804 13.018 1.00 0.00 O ATOM 1781 CB ALA A 119 -3.626 -11.811 12.519 1.00 0.00 C ATOM 0 H ALA A 119 -1.104 -11.347 13.798 1.00 0.00 H new ATOM 0 HA ALA A 119 -3.776 -12.298 14.597 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -4.365 -12.549 12.208 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.112 -10.844 12.649 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -2.852 -11.728 11.756 1.00 0.00 H new ATOM 1787 N GLU A 120 -2.995 -14.618 14.341 1.00 0.00 N ATOM 1788 CA GLU A 120 -2.502 -15.989 14.289 1.00 0.00 C ATOM 1789 C GLU A 120 -3.310 -16.821 13.298 1.00 0.00 C ATOM 1790 O GLU A 120 -4.499 -17.070 13.502 1.00 0.00 O ATOM 1791 CB GLU A 120 -2.562 -16.629 15.678 1.00 0.00 C ATOM 1792 CG GLU A 120 -1.367 -16.295 16.555 1.00 0.00 C ATOM 1793 CD GLU A 120 -1.429 -16.975 17.909 1.00 0.00 C ATOM 1794 OE1 GLU A 120 -2.247 -16.551 18.750 1.00 0.00 O ATOM 1795 OE2 GLU A 120 -0.657 -17.933 18.126 1.00 0.00 O ATOM 0 H GLU A 120 -3.835 -14.493 14.906 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.465 -15.963 13.953 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.473 -16.303 16.180 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.629 -17.711 15.567 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.452 -16.594 16.044 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.315 -15.215 16.697 1.00 0.00 H new ATOM 1802 N THR A 121 -2.657 -17.249 12.222 1.00 0.00 N ATOM 1803 CA THR A 121 -3.314 -18.051 11.198 1.00 0.00 C ATOM 1804 C THR A 121 -3.745 -19.404 11.751 1.00 0.00 C ATOM 1805 O THR A 121 -3.068 -20.004 12.586 1.00 0.00 O ATOM 1806 CB THR A 121 -2.393 -18.275 9.983 1.00 0.00 C ATOM 1807 OG1 THR A 121 -1.028 -18.342 10.410 1.00 0.00 O ATOM 1808 CG2 THR A 121 -2.558 -17.156 8.966 1.00 0.00 C ATOM 0 H THR A 121 -1.673 -17.053 12.037 1.00 0.00 H new ATOM 0 HA THR A 121 -4.196 -17.495 10.879 1.00 0.00 H new ATOM 0 HB THR A 121 -2.672 -19.217 9.511 1.00 0.00 H new ATOM 0 HG1 THR A 121 -0.449 -18.486 9.633 1.00 0.00 H new ATOM 0 HG21 THR A 121 -1.898 -17.336 8.117 1.00 0.00 H new ATOM 0 HG22 THR A 121 -3.592 -17.127 8.622 1.00 0.00 H new ATOM 0 HG23 THR A 121 -2.302 -16.203 9.429 1.00 0.00 H new ATOM 1816 N PRO A 122 -4.898 -19.898 11.277 1.00 0.00 N ATOM 1817 CA PRO A 122 -5.444 -21.188 11.710 1.00 0.00 C ATOM 1818 C PRO A 122 -4.618 -22.366 11.206 1.00 0.00 C ATOM 1819 O PRO A 122 -4.143 -22.362 10.071 1.00 0.00 O ATOM 1820 CB PRO A 122 -6.842 -21.209 11.087 1.00 0.00 C ATOM 1821 CG PRO A 122 -6.742 -20.309 9.904 1.00 0.00 C ATOM 1822 CD PRO A 122 -5.757 -19.237 10.281 1.00 0.00 C ATOM 0 HA PRO A 122 -5.445 -21.286 12.796 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -7.130 -22.219 10.793 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -7.595 -20.855 11.791 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -6.405 -20.857 9.024 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -7.713 -19.878 9.658 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -5.184 -18.897 9.419 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -6.255 -18.362 10.698 1.00 0.00 H new ATOM 1830 N GLU A 123 -4.452 -23.374 12.057 1.00 0.00 N ATOM 1831 CA GLU A 123 -3.682 -24.558 11.696 1.00 0.00 C ATOM 1832 C GLU A 123 -4.459 -25.434 10.717 1.00 0.00 C ATOM 1833 O GLU A 123 -3.874 -26.223 9.975 1.00 0.00 O ATOM 1834 CB GLU A 123 -3.328 -25.364 12.948 1.00 0.00 C ATOM 1835 CG GLU A 123 -2.403 -24.629 13.904 1.00 0.00 C ATOM 1836 CD GLU A 123 -2.318 -25.297 15.262 1.00 0.00 C ATOM 1837 OE1 GLU A 123 -3.377 -25.486 15.897 1.00 0.00 O ATOM 1838 OE2 GLU A 123 -1.194 -25.630 15.691 1.00 0.00 O ATOM 0 H GLU A 123 -4.840 -23.394 13.000 1.00 0.00 H new ATOM 0 HA GLU A 123 -2.762 -24.229 11.212 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -4.247 -25.625 13.473 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -2.856 -26.299 12.646 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -1.406 -24.573 13.468 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -2.754 -23.605 14.028 1.00 0.00 H new ATOM 1845 N ASN A 124 -5.780 -25.289 10.722 1.00 0.00 N ATOM 1846 CA ASN A 124 -6.638 -26.067 9.836 1.00 0.00 C ATOM 1847 C ASN A 124 -6.975 -25.278 8.575 1.00 0.00 C ATOM 1848 O ASN A 124 -7.619 -25.794 7.662 1.00 0.00 O ATOM 1849 CB ASN A 124 -7.924 -26.468 10.560 1.00 0.00 C ATOM 1850 CG ASN A 124 -7.684 -27.518 11.628 1.00 0.00 C ATOM 1851 OD1 ASN A 124 -6.558 -27.704 12.089 1.00 0.00 O ATOM 1852 ND2 ASN A 124 -8.745 -28.210 12.026 1.00 0.00 N ATOM 0 H ASN A 124 -6.280 -24.640 11.330 1.00 0.00 H new ATOM 0 HA ASN A 124 -6.097 -26.968 9.546 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -8.371 -25.585 11.017 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -8.642 -26.850 9.834 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -8.645 -28.930 12.742 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -9.660 -28.022 11.616 1.00 0.00 H new