USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 466 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 48 CYS SG : rot -180:sc= -0.835 USER MOD Set 1.2: A 51 CYS SG : rot -122:sc= 1.19 USER MOD Set 1.3: A 70 CYS SG : rot 150:sc= -1.42 USER MOD Set 1.4: A 73 CYS SG : rot -58:sc= 1.72 USER MOD Set 2.1: A 31 CYS SG : rot 142:sc= -0.409 USER MOD Set 2.2: A 34 CYS SG : rot -71:sc= 1.37 USER MOD Set 2.3: A 84 CYS SG : rot 171:sc= -0.304 USER MOD Set 2.4: A 87 CYS SG : rot -127:sc= 1.4 USER MOD Single : A 28 MET CE :methyl -173:sc= -2.61 (180deg=-2.74) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0254 X(o=-0.025,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 43 THR OG1 : rot -48:sc= -0.257 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.3) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -88:sc= -0.479 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00545 USER MOD Single : A 60 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -144:sc= 0 (180deg=-0.235) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.079) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 381 N MET A 28 17.846 21.923 -10.209 1.00 0.00 N ATOM 382 CA MET A 28 17.770 20.495 -9.922 1.00 0.00 C ATOM 383 C MET A 28 18.145 19.673 -11.151 1.00 0.00 C ATOM 384 O MET A 28 17.369 19.572 -12.102 1.00 0.00 O ATOM 385 CB MET A 28 16.363 20.122 -9.453 1.00 0.00 C ATOM 386 CG MET A 28 15.959 20.791 -8.149 1.00 0.00 C ATOM 387 SD MET A 28 17.133 20.479 -6.816 1.00 0.00 S ATOM 388 CE MET A 28 17.252 18.693 -6.881 1.00 0.00 C ATOM 0 HA MET A 28 18.481 20.271 -9.127 1.00 0.00 H new ATOM 0 HB2 MET A 28 15.647 20.394 -10.228 1.00 0.00 H new ATOM 0 HB3 MET A 28 16.305 19.041 -9.330 1.00 0.00 H new ATOM 0 HG2 MET A 28 15.873 21.866 -8.308 1.00 0.00 H new ATOM 0 HG3 MET A 28 14.974 20.433 -7.851 1.00 0.00 H new ATOM 0 HE1 MET A 28 17.844 18.337 -6.038 1.00 0.00 H new ATOM 0 HE2 MET A 28 16.253 18.260 -6.831 1.00 0.00 H new ATOM 0 HE3 MET A 28 17.731 18.394 -7.813 1.00 0.00 H new ATOM 398 N ASP A 29 19.337 19.088 -11.125 1.00 0.00 N ATOM 399 CA ASP A 29 19.813 18.274 -12.237 1.00 0.00 C ATOM 400 C ASP A 29 19.665 16.788 -11.925 1.00 0.00 C ATOM 401 O ASP A 29 19.136 16.411 -10.879 1.00 0.00 O ATOM 402 CB ASP A 29 21.276 18.599 -12.546 1.00 0.00 C ATOM 403 CG ASP A 29 21.617 18.401 -14.010 1.00 0.00 C ATOM 404 OD1 ASP A 29 20.816 17.762 -14.723 1.00 0.00 O ATOM 405 OD2 ASP A 29 22.684 18.885 -14.441 1.00 0.00 O ATOM 0 H ASP A 29 19.991 19.162 -10.346 1.00 0.00 H new ATOM 0 HA ASP A 29 19.205 18.506 -13.111 1.00 0.00 H new ATOM 0 HB2 ASP A 29 21.483 19.631 -12.264 1.00 0.00 H new ATOM 0 HB3 ASP A 29 21.922 17.967 -11.937 1.00 0.00 H new ATOM 410 N THR A 30 20.135 15.946 -12.841 1.00 0.00 N ATOM 411 CA THR A 30 20.053 14.502 -12.666 1.00 0.00 C ATOM 412 C THR A 30 21.129 14.002 -11.709 1.00 0.00 C ATOM 413 O THR A 30 22.303 14.346 -11.845 1.00 0.00 O ATOM 414 CB THR A 30 20.194 13.764 -14.010 1.00 0.00 C ATOM 415 OG1 THR A 30 19.326 14.352 -14.985 1.00 0.00 O ATOM 416 CG2 THR A 30 19.862 12.287 -13.854 1.00 0.00 C ATOM 0 H THR A 30 20.577 16.241 -13.712 1.00 0.00 H new ATOM 0 HA THR A 30 19.070 14.290 -12.245 1.00 0.00 H new ATOM 0 HB THR A 30 21.228 13.855 -14.342 1.00 0.00 H new ATOM 0 HG1 THR A 30 19.423 13.878 -15.837 1.00 0.00 H new ATOM 0 HG21 THR A 30 19.969 11.786 -14.816 1.00 0.00 H new ATOM 0 HG22 THR A 30 20.543 11.835 -13.133 1.00 0.00 H new ATOM 0 HG23 THR A 30 18.836 12.180 -13.501 1.00 0.00 H new ATOM 424 N CYS A 31 20.722 13.188 -10.741 1.00 0.00 N ATOM 425 CA CYS A 31 21.652 12.640 -9.761 1.00 0.00 C ATOM 426 C CYS A 31 22.889 12.066 -10.446 1.00 0.00 C ATOM 427 O CYS A 31 22.827 11.629 -11.595 1.00 0.00 O ATOM 428 CB CYS A 31 20.966 11.554 -8.929 1.00 0.00 C ATOM 429 SG CYS A 31 21.983 10.915 -7.559 1.00 0.00 S ATOM 0 H CYS A 31 19.754 12.893 -10.614 1.00 0.00 H new ATOM 0 HA CYS A 31 21.966 13.450 -9.102 1.00 0.00 H new ATOM 0 HB2 CYS A 31 20.038 11.955 -8.522 1.00 0.00 H new ATOM 0 HB3 CYS A 31 20.696 10.726 -9.584 1.00 0.00 H new ATOM 0 HG CYS A 31 21.228 10.694 -6.524 1.00 0.00 H new ATOM 434 N GLU A 32 24.010 12.071 -9.732 1.00 0.00 N ATOM 435 CA GLU A 32 25.261 11.552 -10.271 1.00 0.00 C ATOM 436 C GLU A 32 25.611 10.209 -9.637 1.00 0.00 C ATOM 437 O GLU A 32 26.244 9.360 -10.265 1.00 0.00 O ATOM 438 CB GLU A 32 26.397 12.550 -10.037 1.00 0.00 C ATOM 439 CG GLU A 32 26.696 12.799 -8.569 1.00 0.00 C ATOM 440 CD GLU A 32 28.083 13.368 -8.344 1.00 0.00 C ATOM 441 OE1 GLU A 32 29.069 12.666 -8.652 1.00 0.00 O ATOM 442 OE2 GLU A 32 28.183 14.515 -7.860 1.00 0.00 O ATOM 0 H GLU A 32 24.077 12.429 -8.779 1.00 0.00 H new ATOM 0 HA GLU A 32 25.131 11.406 -11.343 1.00 0.00 H new ATOM 0 HB2 GLU A 32 27.299 12.182 -10.525 1.00 0.00 H new ATOM 0 HB3 GLU A 32 26.141 13.497 -10.513 1.00 0.00 H new ATOM 0 HG2 GLU A 32 25.955 13.487 -8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 32 26.598 11.863 -8.018 1.00 0.00 H new ATOM 449 N ARG A 33 25.196 10.025 -8.388 1.00 0.00 N ATOM 450 CA ARG A 33 25.467 8.787 -7.667 1.00 0.00 C ATOM 451 C ARG A 33 24.685 7.624 -8.271 1.00 0.00 C ATOM 452 O ARG A 33 25.223 6.534 -8.468 1.00 0.00 O ATOM 453 CB ARG A 33 25.109 8.943 -6.188 1.00 0.00 C ATOM 454 CG ARG A 33 25.779 7.919 -5.288 1.00 0.00 C ATOM 455 CD ARG A 33 25.468 8.178 -3.822 1.00 0.00 C ATOM 456 NE ARG A 33 26.344 7.419 -2.934 1.00 0.00 N ATOM 457 CZ ARG A 33 27.611 7.740 -2.700 1.00 0.00 C ATOM 458 NH1 ARG A 33 28.148 8.801 -3.286 1.00 0.00 N ATOM 459 NH2 ARG A 33 28.344 6.999 -1.879 1.00 0.00 N ATOM 0 H ARG A 33 24.671 10.718 -7.854 1.00 0.00 H new ATOM 0 HA ARG A 33 26.532 8.571 -7.754 1.00 0.00 H new ATOM 0 HB2 ARG A 33 25.390 9.943 -5.858 1.00 0.00 H new ATOM 0 HB3 ARG A 33 24.028 8.862 -6.074 1.00 0.00 H new ATOM 0 HG2 ARG A 33 25.444 6.918 -5.561 1.00 0.00 H new ATOM 0 HG3 ARG A 33 26.858 7.947 -5.443 1.00 0.00 H new ATOM 0 HD2 ARG A 33 25.573 9.242 -3.612 1.00 0.00 H new ATOM 0 HD3 ARG A 33 24.430 7.914 -3.620 1.00 0.00 H new ATOM 0 HE ARG A 33 25.961 6.597 -2.468 1.00 0.00 H new ATOM 0 HH11 ARG A 33 27.588 9.373 -3.918 1.00 0.00 H new ATOM 0 HH12 ARG A 33 29.121 9.046 -3.105 1.00 0.00 H new ATOM 0 HH21 ARG A 33 27.934 6.182 -1.427 1.00 0.00 H new ATOM 0 HH22 ARG A 33 29.317 7.247 -1.700 1.00 0.00 H new ATOM 473 N CYS A 34 23.410 7.863 -8.562 1.00 0.00 N ATOM 474 CA CYS A 34 22.552 6.837 -9.142 1.00 0.00 C ATOM 475 C CYS A 34 22.319 7.099 -10.628 1.00 0.00 C ATOM 476 O CYS A 34 21.752 6.266 -11.333 1.00 0.00 O ATOM 477 CB CYS A 34 21.213 6.786 -8.406 1.00 0.00 C ATOM 478 SG CYS A 34 20.203 8.291 -8.594 1.00 0.00 S ATOM 0 H CYS A 34 22.948 8.759 -8.405 1.00 0.00 H new ATOM 0 HA CYS A 34 23.054 5.876 -9.035 1.00 0.00 H new ATOM 0 HB2 CYS A 34 20.643 5.931 -8.770 1.00 0.00 H new ATOM 0 HB3 CYS A 34 21.400 6.617 -7.346 1.00 0.00 H new ATOM 0 HG CYS A 34 20.751 9.267 -7.932 1.00 0.00 H new ATOM 483 N ASN A 35 22.762 8.262 -11.095 1.00 0.00 N ATOM 484 CA ASN A 35 22.601 8.634 -12.496 1.00 0.00 C ATOM 485 C ASN A 35 21.125 8.709 -12.873 1.00 0.00 C ATOM 486 O ASN A 35 20.732 8.307 -13.967 1.00 0.00 O ATOM 487 CB ASN A 35 23.319 7.628 -13.398 1.00 0.00 C ATOM 488 CG ASN A 35 24.828 7.742 -13.305 1.00 0.00 C ATOM 489 OD1 ASN A 35 25.507 6.810 -12.874 1.00 0.00 O ATOM 490 ND2 ASN A 35 25.361 8.889 -13.710 1.00 0.00 N ATOM 0 H ASN A 35 23.235 8.963 -10.524 1.00 0.00 H new ATOM 0 HA ASN A 35 23.044 9.620 -12.637 1.00 0.00 H new ATOM 0 HB2 ASN A 35 23.016 6.617 -13.124 1.00 0.00 H new ATOM 0 HB3 ASN A 35 23.009 7.784 -14.431 1.00 0.00 H new ATOM 0 HD21 ASN A 35 26.371 9.024 -13.671 1.00 0.00 H new ATOM 0 HD22 ASN A 35 24.760 9.635 -14.060 1.00 0.00 H new ATOM 497 N GLY A 36 20.311 9.228 -11.958 1.00 0.00 N ATOM 498 CA GLY A 36 18.888 9.347 -12.213 1.00 0.00 C ATOM 499 C GLY A 36 18.189 8.002 -12.241 1.00 0.00 C ATOM 500 O GLY A 36 17.225 7.810 -12.982 1.00 0.00 O ATOM 0 H GLY A 36 20.612 9.568 -11.045 1.00 0.00 H new ATOM 0 HA2 GLY A 36 18.435 9.972 -11.443 1.00 0.00 H new ATOM 0 HA3 GLY A 36 18.734 9.853 -13.166 1.00 0.00 H new ATOM 504 N LYS A 37 18.677 7.067 -11.433 1.00 0.00 N ATOM 505 CA LYS A 37 18.094 5.732 -11.368 1.00 0.00 C ATOM 506 C LYS A 37 17.256 5.565 -10.104 1.00 0.00 C ATOM 507 O LYS A 37 16.104 5.138 -10.164 1.00 0.00 O ATOM 508 CB LYS A 37 19.195 4.670 -11.406 1.00 0.00 C ATOM 509 CG LYS A 37 19.897 4.569 -12.749 1.00 0.00 C ATOM 510 CD LYS A 37 19.075 3.775 -13.750 1.00 0.00 C ATOM 511 CE LYS A 37 19.228 2.277 -13.533 1.00 0.00 C ATOM 512 NZ LYS A 37 20.499 1.760 -14.110 1.00 0.00 N ATOM 0 H LYS A 37 19.475 7.209 -10.814 1.00 0.00 H new ATOM 0 HA LYS A 37 17.444 5.604 -12.234 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.933 4.896 -10.636 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.762 3.701 -11.158 1.00 0.00 H new ATOM 0 HG2 LYS A 37 20.081 5.570 -13.140 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.869 4.094 -12.617 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.024 4.051 -13.660 1.00 0.00 H new ATOM 0 HD3 LYS A 37 19.387 4.031 -14.763 1.00 0.00 H new ATOM 0 HE2 LYS A 37 19.199 2.060 -12.465 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.385 1.756 -13.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 20.566 0.736 -13.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 20.516 1.944 -15.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 21.305 2.238 -13.659 1.00 0.00 H new ATOM 526 N GLY A 38 17.843 5.907 -8.961 1.00 0.00 N ATOM 527 CA GLY A 38 17.134 5.789 -7.700 1.00 0.00 C ATOM 528 C GLY A 38 17.646 4.640 -6.853 1.00 0.00 C ATOM 529 O GLY A 38 16.912 4.090 -6.034 1.00 0.00 O ATOM 0 H GLY A 38 18.796 6.263 -8.886 1.00 0.00 H new ATOM 0 HA2 GLY A 38 17.233 6.720 -7.142 1.00 0.00 H new ATOM 0 HA3 GLY A 38 16.071 5.647 -7.896 1.00 0.00 H new ATOM 533 N ASN A 39 18.909 4.277 -7.052 1.00 0.00 N ATOM 534 CA ASN A 39 19.517 3.184 -6.302 1.00 0.00 C ATOM 535 C ASN A 39 21.029 3.363 -6.211 1.00 0.00 C ATOM 536 O ASN A 39 21.635 4.038 -7.042 1.00 0.00 O ATOM 537 CB ASN A 39 19.189 1.842 -6.958 1.00 0.00 C ATOM 538 CG ASN A 39 19.972 1.617 -8.237 1.00 0.00 C ATOM 539 OD1 ASN A 39 19.751 2.295 -9.241 1.00 0.00 O ATOM 540 ND2 ASN A 39 20.893 0.661 -8.206 1.00 0.00 N ATOM 0 H ASN A 39 19.531 4.724 -7.726 1.00 0.00 H new ATOM 0 HA ASN A 39 19.106 3.196 -5.293 1.00 0.00 H new ATOM 0 HB2 ASN A 39 19.404 1.036 -6.257 1.00 0.00 H new ATOM 0 HB3 ASN A 39 18.122 1.798 -7.176 1.00 0.00 H new ATOM 0 HD21 ASN A 39 21.451 0.464 -9.036 1.00 0.00 H new ATOM 0 HD22 ASN A 39 21.042 0.124 -7.352 1.00 0.00 H new ATOM 547 N GLU A 40 21.632 2.751 -5.196 1.00 0.00 N ATOM 548 CA GLU A 40 23.074 2.843 -4.997 1.00 0.00 C ATOM 549 C GLU A 40 23.824 2.152 -6.132 1.00 0.00 C ATOM 550 O GLU A 40 23.445 1.077 -6.597 1.00 0.00 O ATOM 551 CB GLU A 40 23.467 2.219 -3.657 1.00 0.00 C ATOM 552 CG GLU A 40 22.662 2.745 -2.481 1.00 0.00 C ATOM 553 CD GLU A 40 23.339 2.488 -1.148 1.00 0.00 C ATOM 554 OE1 GLU A 40 24.586 2.443 -1.115 1.00 0.00 O ATOM 555 OE2 GLU A 40 22.620 2.333 -0.139 1.00 0.00 O ATOM 0 H GLU A 40 21.145 2.187 -4.500 1.00 0.00 H new ATOM 0 HA GLU A 40 23.348 3.898 -4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 40 23.341 1.138 -3.718 1.00 0.00 H new ATOM 0 HB3 GLU A 40 24.525 2.407 -3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 40 22.505 3.817 -2.604 1.00 0.00 H new ATOM 0 HG3 GLU A 40 21.678 2.276 -2.481 1.00 0.00 H new ATOM 562 N PRO A 41 24.916 2.784 -6.590 1.00 0.00 N ATOM 563 CA PRO A 41 25.743 2.249 -7.675 1.00 0.00 C ATOM 564 C PRO A 41 26.519 1.006 -7.254 1.00 0.00 C ATOM 565 O PRO A 41 27.308 0.463 -8.027 1.00 0.00 O ATOM 566 CB PRO A 41 26.704 3.398 -7.988 1.00 0.00 C ATOM 567 CG PRO A 41 26.781 4.182 -6.724 1.00 0.00 C ATOM 568 CD PRO A 41 25.426 4.068 -6.082 1.00 0.00 C ATOM 0 HA PRO A 41 25.142 1.933 -8.528 1.00 0.00 H new ATOM 0 HB2 PRO A 41 27.685 3.025 -8.283 1.00 0.00 H new ATOM 0 HB3 PRO A 41 26.335 4.010 -8.811 1.00 0.00 H new ATOM 0 HG2 PRO A 41 27.558 3.789 -6.068 1.00 0.00 H new ATOM 0 HG3 PRO A 41 27.031 5.224 -6.926 1.00 0.00 H new ATOM 0 HD2 PRO A 41 25.495 4.071 -4.994 1.00 0.00 H new ATOM 0 HD3 PRO A 41 24.777 4.898 -6.363 1.00 0.00 H new ATOM 576 N GLY A 42 26.289 0.558 -6.023 1.00 0.00 N ATOM 577 CA GLY A 42 26.974 -0.618 -5.521 1.00 0.00 C ATOM 578 C GLY A 42 26.048 -1.550 -4.765 1.00 0.00 C ATOM 579 O GLY A 42 26.462 -2.209 -3.810 1.00 0.00 O ATOM 0 H GLY A 42 25.640 0.989 -5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 42 27.424 -1.156 -6.355 1.00 0.00 H new ATOM 0 HA3 GLY A 42 27.788 -0.308 -4.865 1.00 0.00 H new ATOM 583 N THR A 43 24.790 -1.605 -5.190 1.00 0.00 N ATOM 584 CA THR A 43 23.802 -2.460 -4.545 1.00 0.00 C ATOM 585 C THR A 43 23.149 -3.401 -5.550 1.00 0.00 C ATOM 586 O THR A 43 23.512 -3.419 -6.727 1.00 0.00 O ATOM 587 CB THR A 43 22.707 -1.629 -3.850 1.00 0.00 C ATOM 588 OG1 THR A 43 22.203 -0.634 -4.749 1.00 0.00 O ATOM 589 CG2 THR A 43 23.249 -0.959 -2.597 1.00 0.00 C ATOM 0 H THR A 43 24.431 -1.067 -5.979 1.00 0.00 H new ATOM 0 HA THR A 43 24.333 -3.046 -3.795 1.00 0.00 H new ATOM 0 HB THR A 43 21.899 -2.302 -3.562 1.00 0.00 H new ATOM 0 HG1 THR A 43 22.953 -0.167 -5.174 1.00 0.00 H new ATOM 0 HG21 THR A 43 22.457 -0.378 -2.124 1.00 0.00 H new ATOM 0 HG22 THR A 43 23.605 -1.720 -1.903 1.00 0.00 H new ATOM 0 HG23 THR A 43 24.073 -0.298 -2.865 1.00 0.00 H new ATOM 597 N LYS A 44 22.182 -4.182 -5.081 1.00 0.00 N ATOM 598 CA LYS A 44 21.475 -5.125 -5.939 1.00 0.00 C ATOM 599 C LYS A 44 20.051 -4.650 -6.214 1.00 0.00 C ATOM 600 O LYS A 44 19.585 -3.679 -5.618 1.00 0.00 O ATOM 601 CB LYS A 44 21.445 -6.512 -5.293 1.00 0.00 C ATOM 602 CG LYS A 44 20.546 -6.594 -4.071 1.00 0.00 C ATOM 603 CD LYS A 44 20.251 -8.036 -3.692 1.00 0.00 C ATOM 604 CE LYS A 44 19.122 -8.125 -2.677 1.00 0.00 C ATOM 605 NZ LYS A 44 19.069 -9.461 -2.021 1.00 0.00 N ATOM 0 H LYS A 44 21.870 -4.180 -4.110 1.00 0.00 H new ATOM 0 HA LYS A 44 22.009 -5.184 -6.887 1.00 0.00 H new ATOM 0 HB2 LYS A 44 21.108 -7.240 -6.031 1.00 0.00 H new ATOM 0 HB3 LYS A 44 22.459 -6.793 -5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 44 21.023 -6.087 -3.232 1.00 0.00 H new ATOM 0 HG3 LYS A 44 19.611 -6.070 -4.270 1.00 0.00 H new ATOM 0 HD2 LYS A 44 19.984 -8.601 -4.585 1.00 0.00 H new ATOM 0 HD3 LYS A 44 21.149 -8.496 -3.280 1.00 0.00 H new ATOM 0 HE2 LYS A 44 19.254 -7.353 -1.919 1.00 0.00 H new ATOM 0 HE3 LYS A 44 18.172 -7.926 -3.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.286 -9.481 -1.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.918 -10.196 -2.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.966 -9.641 -1.526 1.00 0.00 H new ATOM 619 N VAL A 45 19.365 -5.342 -7.118 1.00 0.00 N ATOM 620 CA VAL A 45 17.994 -4.992 -7.469 1.00 0.00 C ATOM 621 C VAL A 45 17.175 -6.236 -7.791 1.00 0.00 C ATOM 622 O VAL A 45 17.678 -7.183 -8.395 1.00 0.00 O ATOM 623 CB VAL A 45 17.950 -4.035 -8.676 1.00 0.00 C ATOM 624 CG1 VAL A 45 16.530 -3.548 -8.920 1.00 0.00 C ATOM 625 CG2 VAL A 45 18.895 -2.863 -8.460 1.00 0.00 C ATOM 0 H VAL A 45 19.736 -6.148 -7.621 1.00 0.00 H new ATOM 0 HA VAL A 45 17.563 -4.491 -6.602 1.00 0.00 H new ATOM 0 HB VAL A 45 18.279 -4.579 -9.562 1.00 0.00 H new ATOM 0 HG11 VAL A 45 16.519 -2.873 -9.776 1.00 0.00 H new ATOM 0 HG12 VAL A 45 15.882 -4.401 -9.122 1.00 0.00 H new ATOM 0 HG13 VAL A 45 16.170 -3.020 -8.037 1.00 0.00 H new ATOM 0 HG21 VAL A 45 18.852 -2.197 -9.322 1.00 0.00 H new ATOM 0 HG22 VAL A 45 18.599 -2.317 -7.564 1.00 0.00 H new ATOM 0 HG23 VAL A 45 19.913 -3.234 -8.339 1.00 0.00 H new ATOM 635 N GLN A 46 15.909 -6.227 -7.385 1.00 0.00 N ATOM 636 CA GLN A 46 15.020 -7.356 -7.630 1.00 0.00 C ATOM 637 C GLN A 46 13.947 -6.991 -8.652 1.00 0.00 C ATOM 638 O GLN A 46 13.242 -5.994 -8.497 1.00 0.00 O ATOM 639 CB GLN A 46 14.365 -7.809 -6.325 1.00 0.00 C ATOM 640 CG GLN A 46 15.363 -8.216 -5.253 1.00 0.00 C ATOM 641 CD GLN A 46 14.692 -8.637 -3.960 1.00 0.00 C ATOM 642 OE1 GLN A 46 15.007 -8.123 -2.887 1.00 0.00 O ATOM 643 NE2 GLN A 46 13.760 -9.578 -4.056 1.00 0.00 N ATOM 0 H GLN A 46 15.476 -5.450 -6.885 1.00 0.00 H new ATOM 0 HA GLN A 46 15.616 -8.175 -8.032 1.00 0.00 H new ATOM 0 HB2 GLN A 46 13.742 -7.001 -5.942 1.00 0.00 H new ATOM 0 HB3 GLN A 46 13.704 -8.651 -6.533 1.00 0.00 H new ATOM 0 HG2 GLN A 46 15.975 -9.038 -5.625 1.00 0.00 H new ATOM 0 HG3 GLN A 46 16.036 -7.382 -5.054 1.00 0.00 H new ATOM 0 HE21 GLN A 46 13.530 -9.977 -4.966 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.274 -9.902 -3.220 1.00 0.00 H new ATOM 652 N HIS A 47 13.830 -7.806 -9.695 1.00 0.00 N ATOM 653 CA HIS A 47 12.842 -7.570 -10.742 1.00 0.00 C ATOM 654 C HIS A 47 11.432 -7.537 -10.162 1.00 0.00 C ATOM 655 O HIS A 47 10.997 -8.484 -9.506 1.00 0.00 O ATOM 656 CB HIS A 47 12.939 -8.652 -11.818 1.00 0.00 C ATOM 657 CG HIS A 47 11.841 -8.586 -12.835 1.00 0.00 C ATOM 658 ND1 HIS A 47 11.826 -7.672 -13.867 1.00 0.00 N ATOM 659 CD2 HIS A 47 10.718 -9.329 -12.975 1.00 0.00 C ATOM 660 CE1 HIS A 47 10.740 -7.854 -14.597 1.00 0.00 C ATOM 661 NE2 HIS A 47 10.051 -8.854 -14.077 1.00 0.00 N ATOM 0 H HIS A 47 14.406 -8.635 -9.838 1.00 0.00 H new ATOM 0 HA HIS A 47 13.052 -6.600 -11.193 1.00 0.00 H new ATOM 0 HB2 HIS A 47 13.899 -8.563 -12.326 1.00 0.00 H new ATOM 0 HB3 HIS A 47 12.921 -9.631 -11.340 1.00 0.00 H new ATOM 0 HD2 HIS A 47 10.405 -10.143 -12.339 1.00 0.00 H new ATOM 0 HE1 HIS A 47 10.463 -7.282 -15.470 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.167 -9.215 -14.436 1.00 0.00 H new ATOM 669 N CYS A 48 10.722 -6.441 -10.406 1.00 0.00 N ATOM 670 CA CYS A 48 9.361 -6.284 -9.907 1.00 0.00 C ATOM 671 C CYS A 48 8.367 -7.026 -10.795 1.00 0.00 C ATOM 672 O CYS A 48 8.621 -7.249 -11.979 1.00 0.00 O ATOM 673 CB CYS A 48 8.990 -4.801 -9.836 1.00 0.00 C ATOM 674 SG CYS A 48 7.340 -4.480 -9.132 1.00 0.00 S ATOM 0 H CYS A 48 11.067 -5.648 -10.947 1.00 0.00 H new ATOM 0 HA CYS A 48 9.316 -6.712 -8.905 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.736 -4.279 -9.237 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.034 -4.378 -10.840 1.00 0.00 H new ATOM 0 HG CYS A 48 7.118 -3.199 -9.113 1.00 0.00 H new ATOM 679 N HIS A 49 7.232 -7.405 -10.216 1.00 0.00 N ATOM 680 CA HIS A 49 6.198 -8.122 -10.954 1.00 0.00 C ATOM 681 C HIS A 49 4.969 -7.242 -11.160 1.00 0.00 C ATOM 682 O HIS A 49 4.371 -7.236 -12.236 1.00 0.00 O ATOM 683 CB HIS A 49 5.806 -9.401 -10.214 1.00 0.00 C ATOM 684 CG HIS A 49 5.091 -10.396 -11.075 1.00 0.00 C ATOM 685 ND1 HIS A 49 5.730 -11.172 -12.018 1.00 0.00 N ATOM 686 CD2 HIS A 49 3.783 -10.741 -11.129 1.00 0.00 C ATOM 687 CE1 HIS A 49 4.846 -11.950 -12.617 1.00 0.00 C ATOM 688 NE2 HIS A 49 3.657 -11.708 -12.096 1.00 0.00 N ATOM 0 H HIS A 49 7.005 -7.227 -9.238 1.00 0.00 H new ATOM 0 HA HIS A 49 6.602 -8.387 -11.931 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.704 -9.865 -9.806 1.00 0.00 H new ATOM 0 HB3 HIS A 49 5.169 -9.141 -9.368 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.987 -10.332 -10.524 1.00 0.00 H new ATOM 0 HE1 HIS A 49 5.060 -12.663 -13.400 1.00 0.00 H new ATOM 0 HE2 HIS A 49 2.786 -12.165 -12.368 1.00 0.00 H new ATOM 696 N TYR A 50 4.598 -6.500 -10.122 1.00 0.00 N ATOM 697 CA TYR A 50 3.438 -5.619 -10.188 1.00 0.00 C ATOM 698 C TYR A 50 3.320 -4.977 -11.567 1.00 0.00 C ATOM 699 O TYR A 50 2.347 -5.201 -12.288 1.00 0.00 O ATOM 700 CB TYR A 50 3.534 -4.534 -9.115 1.00 0.00 C ATOM 701 CG TYR A 50 2.902 -4.926 -7.799 1.00 0.00 C ATOM 702 CD1 TYR A 50 3.272 -6.099 -7.150 1.00 0.00 C ATOM 703 CD2 TYR A 50 1.935 -4.126 -7.204 1.00 0.00 C ATOM 704 CE1 TYR A 50 2.696 -6.462 -5.948 1.00 0.00 C ATOM 705 CE2 TYR A 50 1.355 -4.481 -6.001 1.00 0.00 C ATOM 706 CZ TYR A 50 1.739 -5.650 -5.377 1.00 0.00 C ATOM 707 OH TYR A 50 1.163 -6.007 -4.180 1.00 0.00 O ATOM 0 H TYR A 50 5.084 -6.491 -9.225 1.00 0.00 H new ATOM 0 HA TYR A 50 2.546 -6.220 -10.009 1.00 0.00 H new ATOM 0 HB2 TYR A 50 4.584 -4.293 -8.947 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.054 -3.627 -9.483 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.022 -6.737 -7.593 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.631 -3.211 -7.690 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.994 -7.377 -5.458 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.605 -3.847 -5.552 1.00 0.00 H new ATOM 0 HH TYR A 50 0.510 -5.326 -3.915 1.00 0.00 H new ATOM 717 N CYS A 51 4.318 -4.178 -11.928 1.00 0.00 N ATOM 718 CA CYS A 51 4.329 -3.502 -13.220 1.00 0.00 C ATOM 719 C CYS A 51 5.016 -4.361 -14.277 1.00 0.00 C ATOM 720 O CYS A 51 4.618 -4.368 -15.441 1.00 0.00 O ATOM 721 CB CYS A 51 5.036 -2.150 -13.106 1.00 0.00 C ATOM 722 SG CYS A 51 6.687 -2.237 -12.340 1.00 0.00 S ATOM 0 H CYS A 51 5.131 -3.982 -11.343 1.00 0.00 H new ATOM 0 HA CYS A 51 3.296 -3.339 -13.526 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.131 -1.717 -14.102 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.412 -1.473 -12.522 1.00 0.00 H new ATOM 0 HG CYS A 51 6.719 -1.472 -11.290 1.00 0.00 H new ATOM 727 N GLY A 52 6.052 -5.085 -13.863 1.00 0.00 N ATOM 728 CA GLY A 52 6.778 -5.937 -14.786 1.00 0.00 C ATOM 729 C GLY A 52 7.898 -5.202 -15.495 1.00 0.00 C ATOM 730 O GLY A 52 8.403 -5.663 -16.518 1.00 0.00 O ATOM 0 H GLY A 52 6.401 -5.096 -12.905 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.192 -6.786 -14.243 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.086 -6.339 -15.526 1.00 0.00 H new ATOM 734 N GLY A 53 8.286 -4.052 -14.952 1.00 0.00 N ATOM 735 CA GLY A 53 9.349 -3.268 -15.554 1.00 0.00 C ATOM 736 C GLY A 53 8.821 -2.119 -16.390 1.00 0.00 C ATOM 737 O GLY A 53 9.446 -1.718 -17.371 1.00 0.00 O ATOM 0 H GLY A 53 7.883 -3.649 -14.106 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.995 -2.875 -14.769 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.964 -3.915 -16.179 1.00 0.00 H new ATOM 741 N SER A 54 7.665 -1.590 -16.001 1.00 0.00 N ATOM 742 CA SER A 54 7.050 -0.483 -16.725 1.00 0.00 C ATOM 743 C SER A 54 6.829 0.713 -15.803 1.00 0.00 C ATOM 744 O SER A 54 6.804 1.859 -16.250 1.00 0.00 O ATOM 745 CB SER A 54 5.718 -0.923 -17.335 1.00 0.00 C ATOM 746 OG SER A 54 4.888 -1.534 -16.363 1.00 0.00 O ATOM 0 H SER A 54 7.136 -1.910 -15.190 1.00 0.00 H new ATOM 0 HA SER A 54 7.727 -0.183 -17.525 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.208 -0.060 -17.762 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.902 -1.621 -18.151 1.00 0.00 H new ATOM 0 HG SER A 54 5.086 -2.493 -16.320 1.00 0.00 H new ATOM 752 N GLY A 55 6.669 0.436 -14.513 1.00 0.00 N ATOM 753 CA GLY A 55 6.453 1.498 -13.547 1.00 0.00 C ATOM 754 C GLY A 55 4.993 1.891 -13.436 1.00 0.00 C ATOM 755 O GLY A 55 4.674 3.048 -13.161 1.00 0.00 O ATOM 0 H GLY A 55 6.685 -0.505 -14.119 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.815 1.176 -12.571 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.040 2.370 -13.833 1.00 0.00 H new ATOM 759 N MET A 56 4.104 0.928 -13.653 1.00 0.00 N ATOM 760 CA MET A 56 2.669 1.180 -13.576 1.00 0.00 C ATOM 761 C MET A 56 1.917 -0.079 -13.159 1.00 0.00 C ATOM 762 O MET A 56 2.238 -1.180 -13.605 1.00 0.00 O ATOM 763 CB MET A 56 2.145 1.679 -14.924 1.00 0.00 C ATOM 764 CG MET A 56 0.629 1.775 -14.988 1.00 0.00 C ATOM 765 SD MET A 56 0.062 3.043 -16.138 1.00 0.00 S ATOM 766 CE MET A 56 -0.281 4.393 -15.011 1.00 0.00 C ATOM 0 H MET A 56 4.351 -0.034 -13.884 1.00 0.00 H new ATOM 0 HA MET A 56 2.500 1.948 -12.821 1.00 0.00 H new ATOM 0 HB2 MET A 56 2.572 2.660 -15.130 1.00 0.00 H new ATOM 0 HB3 MET A 56 2.492 1.009 -15.710 1.00 0.00 H new ATOM 0 HG2 MET A 56 0.220 0.810 -15.287 1.00 0.00 H new ATOM 0 HG3 MET A 56 0.240 1.992 -13.993 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.642 5.254 -15.574 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.041 4.084 -14.294 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.631 4.664 -14.479 1.00 0.00 H new ATOM 776 N GLU A 57 0.916 0.091 -12.301 1.00 0.00 N ATOM 777 CA GLU A 57 0.120 -1.033 -11.824 1.00 0.00 C ATOM 778 C GLU A 57 -1.310 -0.949 -12.350 1.00 0.00 C ATOM 779 O GLU A 57 -1.852 0.140 -12.540 1.00 0.00 O ATOM 780 CB GLU A 57 0.111 -1.068 -10.294 1.00 0.00 C ATOM 781 CG GLU A 57 -0.938 -2.000 -9.713 1.00 0.00 C ATOM 782 CD GLU A 57 -0.500 -3.452 -9.726 1.00 0.00 C ATOM 783 OE1 GLU A 57 0.227 -3.843 -10.663 1.00 0.00 O ATOM 784 OE2 GLU A 57 -0.884 -4.197 -8.800 1.00 0.00 O ATOM 0 H GLU A 57 0.637 0.996 -11.922 1.00 0.00 H new ATOM 0 HA GLU A 57 0.573 -1.951 -12.198 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.095 -1.376 -9.940 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.062 -0.060 -9.917 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.158 -1.700 -8.688 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.863 -1.898 -10.280 1.00 0.00 H new ATOM 791 N THR A 58 -1.917 -2.109 -12.584 1.00 0.00 N ATOM 792 CA THR A 58 -3.283 -2.168 -13.090 1.00 0.00 C ATOM 793 C THR A 58 -4.250 -2.637 -12.009 1.00 0.00 C ATOM 794 O THR A 58 -3.973 -3.597 -11.289 1.00 0.00 O ATOM 795 CB THR A 58 -3.392 -3.110 -14.304 1.00 0.00 C ATOM 796 OG1 THR A 58 -2.343 -2.831 -15.237 1.00 0.00 O ATOM 797 CG2 THR A 58 -4.742 -2.955 -14.989 1.00 0.00 C ATOM 0 H THR A 58 -1.484 -3.020 -12.431 1.00 0.00 H new ATOM 0 HA THR A 58 -3.550 -1.157 -13.398 1.00 0.00 H new ATOM 0 HB THR A 58 -3.298 -4.136 -13.949 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.419 -3.435 -16.005 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.796 -3.630 -15.843 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.538 -3.197 -14.284 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.861 -1.927 -15.331 1.00 0.00 H new ATOM 805 N ILE A 59 -5.384 -1.954 -11.900 1.00 0.00 N ATOM 806 CA ILE A 59 -6.393 -2.302 -10.906 1.00 0.00 C ATOM 807 C ILE A 59 -7.712 -2.679 -11.572 1.00 0.00 C ATOM 808 O ILE A 59 -8.535 -1.816 -11.874 1.00 0.00 O ATOM 809 CB ILE A 59 -6.639 -1.143 -9.923 1.00 0.00 C ATOM 810 CG1 ILE A 59 -5.309 -0.525 -9.485 1.00 0.00 C ATOM 811 CG2 ILE A 59 -7.426 -1.630 -8.716 1.00 0.00 C ATOM 812 CD1 ILE A 59 -4.888 0.661 -10.325 1.00 0.00 C ATOM 0 H ILE A 59 -5.628 -1.156 -12.487 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.009 -3.160 -10.353 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.225 -0.376 -10.429 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.388 -0.213 -8.444 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.531 -1.287 -9.531 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.592 -0.799 -8.030 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -8.387 -2.027 -9.044 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.864 -2.413 -8.207 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.937 1.048 -9.958 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.776 0.350 -11.364 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.647 1.441 -10.260 1.00 0.00 H new ATOM 824 N ASN A 60 -7.907 -3.975 -11.794 1.00 0.00 N ATOM 825 CA ASN A 60 -9.128 -4.467 -12.423 1.00 0.00 C ATOM 826 C ASN A 60 -10.297 -4.432 -11.442 1.00 0.00 C ATOM 827 O ASN A 60 -10.480 -5.351 -10.644 1.00 0.00 O ATOM 828 CB ASN A 60 -8.923 -5.893 -12.938 1.00 0.00 C ATOM 829 CG ASN A 60 -7.820 -5.979 -13.976 1.00 0.00 C ATOM 830 OD1 ASN A 60 -6.574 -5.991 -13.516 1.00 0.00 O flip ATOM 831 ND2 ASN A 60 -8.086 -6.034 -15.176 1.00 0.00 N flip ATOM 0 H ASN A 60 -7.236 -4.703 -11.548 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.362 -3.814 -13.264 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.682 -6.548 -12.101 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.855 -6.258 -13.370 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.058 -6.022 -15.484 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.334 -6.092 -15.863 1.00 0.00 H new ATOM 838 N THR A 61 -11.086 -3.364 -11.509 1.00 0.00 N ATOM 839 CA THR A 61 -12.237 -3.208 -10.628 1.00 0.00 C ATOM 840 C THR A 61 -13.537 -3.172 -11.423 1.00 0.00 C ATOM 841 O THR A 61 -13.740 -2.295 -12.261 1.00 0.00 O ATOM 842 CB THR A 61 -12.128 -1.924 -9.784 1.00 0.00 C ATOM 843 OG1 THR A 61 -12.734 -2.127 -8.503 1.00 0.00 O ATOM 844 CG2 THR A 61 -12.800 -0.755 -10.489 1.00 0.00 C ATOM 0 H THR A 61 -10.949 -2.594 -12.164 1.00 0.00 H new ATOM 0 HA THR A 61 -12.246 -4.071 -9.963 1.00 0.00 H new ATOM 0 HB THR A 61 -11.072 -1.690 -9.653 1.00 0.00 H new ATOM 0 HG1 THR A 61 -12.659 -1.307 -7.972 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.710 0.141 -9.874 1.00 0.00 H new ATOM 0 HG22 THR A 61 -12.317 -0.584 -11.451 1.00 0.00 H new ATOM 0 HG23 THR A 61 -13.854 -0.983 -10.647 1.00 0.00 H new ATOM 852 N GLY A 62 -14.417 -4.132 -11.153 1.00 0.00 N ATOM 853 CA GLY A 62 -15.688 -4.191 -11.851 1.00 0.00 C ATOM 854 C GLY A 62 -15.520 -4.404 -13.343 1.00 0.00 C ATOM 855 O GLY A 62 -14.529 -4.971 -13.803 1.00 0.00 O ATOM 0 H GLY A 62 -14.272 -4.870 -10.463 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -16.289 -5.000 -11.437 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.237 -3.265 -11.679 1.00 0.00 H new ATOM 859 N PRO A 63 -16.508 -3.944 -14.125 1.00 0.00 N ATOM 860 CA PRO A 63 -16.489 -4.077 -15.585 1.00 0.00 C ATOM 861 C PRO A 63 -15.431 -3.192 -16.234 1.00 0.00 C ATOM 862 O PRO A 63 -15.289 -3.172 -17.456 1.00 0.00 O ATOM 863 CB PRO A 63 -17.892 -3.626 -16.000 1.00 0.00 C ATOM 864 CG PRO A 63 -18.338 -2.721 -14.905 1.00 0.00 C ATOM 865 CD PRO A 63 -17.720 -3.259 -13.644 1.00 0.00 C ATOM 0 HA PRO A 63 -16.242 -5.091 -15.899 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.874 -3.108 -16.959 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.565 -4.476 -16.110 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -18.016 -1.696 -15.091 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -19.425 -2.705 -14.831 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.479 -2.461 -12.942 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -18.392 -3.945 -13.128 1.00 0.00 H new ATOM 873 N PHE A 64 -14.689 -2.461 -15.407 1.00 0.00 N ATOM 874 CA PHE A 64 -13.644 -1.573 -15.901 1.00 0.00 C ATOM 875 C PHE A 64 -12.317 -1.853 -15.202 1.00 0.00 C ATOM 876 O PHE A 64 -12.282 -2.459 -14.131 1.00 0.00 O ATOM 877 CB PHE A 64 -14.045 -0.112 -15.691 1.00 0.00 C ATOM 878 CG PHE A 64 -14.992 0.091 -14.543 1.00 0.00 C ATOM 879 CD1 PHE A 64 -16.362 0.020 -14.737 1.00 0.00 C ATOM 880 CD2 PHE A 64 -14.512 0.353 -13.270 1.00 0.00 C ATOM 881 CE1 PHE A 64 -17.236 0.205 -13.682 1.00 0.00 C ATOM 882 CE2 PHE A 64 -15.381 0.539 -12.212 1.00 0.00 C ATOM 883 CZ PHE A 64 -16.745 0.466 -12.418 1.00 0.00 C ATOM 0 H PHE A 64 -14.793 -2.467 -14.392 1.00 0.00 H new ATOM 0 HA PHE A 64 -13.519 -1.759 -16.968 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -13.147 0.482 -15.520 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -14.507 0.264 -16.604 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -16.752 -0.182 -15.724 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -13.447 0.413 -13.103 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -18.302 0.145 -13.846 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -14.994 0.741 -11.224 1.00 0.00 H new ATOM 0 HZ PHE A 64 -17.426 0.613 -11.592 1.00 0.00 H new ATOM 893 N VAL A 65 -11.225 -1.408 -15.817 1.00 0.00 N ATOM 894 CA VAL A 65 -9.895 -1.610 -15.254 1.00 0.00 C ATOM 895 C VAL A 65 -9.177 -0.281 -15.052 1.00 0.00 C ATOM 896 O VAL A 65 -9.024 0.503 -15.989 1.00 0.00 O ATOM 897 CB VAL A 65 -9.035 -2.514 -16.157 1.00 0.00 C ATOM 898 CG1 VAL A 65 -8.987 -1.962 -17.574 1.00 0.00 C ATOM 899 CG2 VAL A 65 -7.633 -2.659 -15.585 1.00 0.00 C ATOM 0 H VAL A 65 -11.236 -0.906 -16.705 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.030 -2.097 -14.288 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.492 -3.503 -16.193 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.375 -2.614 -18.198 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.997 -1.915 -17.980 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.554 -0.962 -17.560 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.039 -3.301 -16.236 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.164 -1.677 -15.518 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.690 -3.103 -14.591 1.00 0.00 H new ATOM 909 N MET A 66 -8.737 -0.033 -13.823 1.00 0.00 N ATOM 910 CA MET A 66 -8.032 1.201 -13.498 1.00 0.00 C ATOM 911 C MET A 66 -6.527 1.032 -13.678 1.00 0.00 C ATOM 912 O MET A 66 -6.034 -0.084 -13.845 1.00 0.00 O ATOM 913 CB MET A 66 -8.340 1.627 -12.061 1.00 0.00 C ATOM 914 CG MET A 66 -9.638 1.047 -11.521 1.00 0.00 C ATOM 915 SD MET A 66 -10.927 0.942 -12.777 1.00 0.00 S ATOM 916 CE MET A 66 -11.128 2.670 -13.202 1.00 0.00 C ATOM 0 H MET A 66 -8.856 -0.670 -13.036 1.00 0.00 H new ATOM 0 HA MET A 66 -8.377 1.977 -14.182 1.00 0.00 H new ATOM 0 HB2 MET A 66 -7.518 1.319 -11.415 1.00 0.00 H new ATOM 0 HB3 MET A 66 -8.391 2.715 -12.016 1.00 0.00 H new ATOM 0 HG2 MET A 66 -9.447 0.052 -11.118 1.00 0.00 H new ATOM 0 HG3 MET A 66 -9.991 1.664 -10.694 1.00 0.00 H new ATOM 0 HE1 MET A 66 -12.178 2.873 -13.412 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.798 3.290 -12.369 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.531 2.899 -14.085 1.00 0.00 H new ATOM 926 N ARG A 67 -5.802 2.145 -13.645 1.00 0.00 N ATOM 927 CA ARG A 67 -4.354 2.119 -13.806 1.00 0.00 C ATOM 928 C ARG A 67 -3.690 3.179 -12.931 1.00 0.00 C ATOM 929 O ARG A 67 -3.886 4.377 -13.134 1.00 0.00 O ATOM 930 CB ARG A 67 -3.979 2.345 -15.272 1.00 0.00 C ATOM 931 CG ARG A 67 -4.292 1.160 -16.171 1.00 0.00 C ATOM 932 CD ARG A 67 -3.148 0.158 -16.190 1.00 0.00 C ATOM 933 NE ARG A 67 -3.236 -0.752 -17.328 1.00 0.00 N ATOM 934 CZ ARG A 67 -2.814 -0.444 -18.550 1.00 0.00 C ATOM 935 NH1 ARG A 67 -2.277 0.744 -18.789 1.00 0.00 N ATOM 936 NH2 ARG A 67 -2.929 -1.326 -19.535 1.00 0.00 N ATOM 0 H ARG A 67 -6.194 3.077 -13.508 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.996 1.138 -13.493 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.510 3.222 -15.643 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.914 2.567 -15.336 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.201 0.669 -15.824 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.486 1.512 -17.184 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.199 0.692 -16.226 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.155 -0.418 -15.264 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.644 -1.675 -17.177 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.187 1.424 -18.034 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.954 0.978 -19.728 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.342 -2.241 -19.354 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.605 -1.089 -20.473 1.00 0.00 H new ATOM 950 N SER A 68 -2.905 2.728 -11.958 1.00 0.00 N ATOM 951 CA SER A 68 -2.215 3.636 -11.049 1.00 0.00 C ATOM 952 C SER A 68 -0.754 3.231 -10.881 1.00 0.00 C ATOM 953 O SER A 68 -0.403 2.058 -11.013 1.00 0.00 O ATOM 954 CB SER A 68 -2.911 3.654 -9.687 1.00 0.00 C ATOM 955 OG SER A 68 -2.745 4.907 -9.046 1.00 0.00 O ATOM 0 H SER A 68 -2.731 1.739 -11.779 1.00 0.00 H new ATOM 0 HA SER A 68 -2.249 4.637 -11.480 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.973 3.445 -9.815 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.505 2.863 -9.057 1.00 0.00 H new ATOM 0 HG SER A 68 -3.200 4.893 -8.178 1.00 0.00 H new ATOM 961 N THR A 69 0.096 4.211 -10.589 1.00 0.00 N ATOM 962 CA THR A 69 1.519 3.959 -10.404 1.00 0.00 C ATOM 963 C THR A 69 1.751 2.760 -9.491 1.00 0.00 C ATOM 964 O THR A 69 1.020 2.554 -8.522 1.00 0.00 O ATOM 965 CB THR A 69 2.235 5.187 -9.811 1.00 0.00 C ATOM 966 OG1 THR A 69 1.931 6.353 -10.586 1.00 0.00 O ATOM 967 CG2 THR A 69 3.740 4.972 -9.777 1.00 0.00 C ATOM 0 H THR A 69 -0.177 5.187 -10.476 1.00 0.00 H new ATOM 0 HA THR A 69 1.933 3.747 -11.390 1.00 0.00 H new ATOM 0 HB THR A 69 1.882 5.328 -8.790 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.389 7.130 -10.202 1.00 0.00 H new ATOM 0 HG21 THR A 69 4.224 5.853 -9.354 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.969 4.102 -9.162 1.00 0.00 H new ATOM 0 HG23 THR A 69 4.107 4.808 -10.790 1.00 0.00 H new ATOM 975 N CYS A 70 2.773 1.972 -9.806 1.00 0.00 N ATOM 976 CA CYS A 70 3.102 0.793 -9.015 1.00 0.00 C ATOM 977 C CYS A 70 3.247 1.152 -7.539 1.00 0.00 C ATOM 978 O CYS A 70 3.311 2.327 -7.178 1.00 0.00 O ATOM 979 CB CYS A 70 4.396 0.155 -9.525 1.00 0.00 C ATOM 980 SG CYS A 70 4.652 -1.559 -8.962 1.00 0.00 S ATOM 0 H CYS A 70 3.388 2.129 -10.604 1.00 0.00 H new ATOM 0 HA CYS A 70 2.286 0.077 -9.119 1.00 0.00 H new ATOM 0 HB2 CYS A 70 4.392 0.171 -10.615 1.00 0.00 H new ATOM 0 HB3 CYS A 70 5.241 0.763 -9.201 1.00 0.00 H new ATOM 0 HG CYS A 70 5.331 -2.213 -9.857 1.00 0.00 H new ATOM 985 N ARG A 71 3.297 0.131 -6.689 1.00 0.00 N ATOM 986 CA ARG A 71 3.433 0.338 -5.253 1.00 0.00 C ATOM 987 C ARG A 71 4.644 -0.413 -4.707 1.00 0.00 C ATOM 988 O ARG A 71 5.306 0.048 -3.777 1.00 0.00 O ATOM 989 CB ARG A 71 2.166 -0.120 -4.527 1.00 0.00 C ATOM 990 CG ARG A 71 0.906 0.586 -4.999 1.00 0.00 C ATOM 991 CD ARG A 71 -0.326 0.072 -4.271 1.00 0.00 C ATOM 992 NE ARG A 71 -0.392 0.558 -2.896 1.00 0.00 N ATOM 993 CZ ARG A 71 -1.504 0.558 -2.169 1.00 0.00 C ATOM 994 NH1 ARG A 71 -2.636 0.099 -2.683 1.00 0.00 N ATOM 995 NH2 ARG A 71 -1.484 1.017 -0.924 1.00 0.00 N ATOM 0 H ARG A 71 3.245 -0.848 -6.971 1.00 0.00 H new ATOM 0 HA ARG A 71 3.579 1.404 -5.078 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.045 -1.194 -4.667 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.289 0.050 -3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.006 1.659 -4.835 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.784 0.437 -6.072 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.221 0.384 -4.809 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.318 -1.018 -4.270 1.00 0.00 H new ATOM 0 HE ARG A 71 0.462 0.917 -2.470 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.655 -0.256 -3.639 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.488 0.100 -2.122 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.614 1.370 -0.525 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.338 1.017 -0.367 1.00 0.00 H new ATOM 1009 N ARG A 72 4.927 -1.573 -5.291 1.00 0.00 N ATOM 1010 CA ARG A 72 6.057 -2.389 -4.863 1.00 0.00 C ATOM 1011 C ARG A 72 7.379 -1.693 -5.174 1.00 0.00 C ATOM 1012 O ARG A 72 8.236 -1.546 -4.302 1.00 0.00 O ATOM 1013 CB ARG A 72 6.014 -3.756 -5.547 1.00 0.00 C ATOM 1014 CG ARG A 72 4.995 -4.708 -4.943 1.00 0.00 C ATOM 1015 CD ARG A 72 5.389 -5.125 -3.534 1.00 0.00 C ATOM 1016 NE ARG A 72 4.568 -6.226 -3.039 1.00 0.00 N ATOM 1017 CZ ARG A 72 4.711 -7.486 -3.436 1.00 0.00 C ATOM 1018 NH1 ARG A 72 5.639 -7.801 -4.329 1.00 0.00 N ATOM 1019 NH2 ARG A 72 3.925 -8.433 -2.940 1.00 0.00 N ATOM 0 H ARG A 72 4.389 -1.969 -6.062 1.00 0.00 H new ATOM 0 HA ARG A 72 5.985 -2.528 -3.784 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.787 -3.617 -6.604 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.002 -4.212 -5.491 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.016 -4.229 -4.922 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.903 -5.593 -5.573 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.438 -5.422 -3.524 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.293 -4.271 -2.863 1.00 0.00 H new ATOM 0 HE ARG A 72 3.845 -6.017 -2.351 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.245 -7.076 -4.713 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.747 -8.769 -4.632 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.210 -8.194 -2.253 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.036 -9.400 -3.246 1.00 0.00 H new ATOM 1033 N CYS A 73 7.538 -1.267 -6.422 1.00 0.00 N ATOM 1034 CA CYS A 73 8.755 -0.588 -6.850 1.00 0.00 C ATOM 1035 C CYS A 73 8.626 0.922 -6.674 1.00 0.00 C ATOM 1036 O CYS A 73 9.544 1.582 -6.190 1.00 0.00 O ATOM 1037 CB CYS A 73 9.061 -0.918 -8.312 1.00 0.00 C ATOM 1038 SG CYS A 73 7.707 -0.516 -9.464 1.00 0.00 S ATOM 0 H CYS A 73 6.838 -1.380 -7.156 1.00 0.00 H new ATOM 0 HA CYS A 73 9.576 -0.940 -6.226 1.00 0.00 H new ATOM 0 HB2 CYS A 73 9.956 -0.375 -8.616 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.290 -1.981 -8.393 1.00 0.00 H new ATOM 0 HG CYS A 73 6.631 -1.152 -9.108 1.00 0.00 H new ATOM 1043 N GLY A 74 7.477 1.463 -7.070 1.00 0.00 N ATOM 1044 CA GLY A 74 7.248 2.890 -6.948 1.00 0.00 C ATOM 1045 C GLY A 74 7.354 3.610 -8.278 1.00 0.00 C ATOM 1046 O GLY A 74 7.731 4.780 -8.330 1.00 0.00 O ATOM 0 H GLY A 74 6.701 0.938 -7.473 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.259 3.061 -6.524 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.971 3.313 -6.251 1.00 0.00 H new ATOM 1050 N GLY A 75 7.021 2.909 -9.357 1.00 0.00 N ATOM 1051 CA GLY A 75 7.088 3.504 -10.679 1.00 0.00 C ATOM 1052 C GLY A 75 8.496 3.509 -11.241 1.00 0.00 C ATOM 1053 O GLY A 75 8.899 4.458 -11.914 1.00 0.00 O ATOM 0 H GLY A 75 6.706 1.939 -9.339 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.432 2.955 -11.355 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.715 4.527 -10.633 1.00 0.00 H new ATOM 1057 N ARG A 76 9.246 2.448 -10.964 1.00 0.00 N ATOM 1058 CA ARG A 76 10.618 2.335 -11.445 1.00 0.00 C ATOM 1059 C ARG A 76 10.785 1.102 -12.327 1.00 0.00 C ATOM 1060 O ARG A 76 11.470 1.144 -13.348 1.00 0.00 O ATOM 1061 CB ARG A 76 11.590 2.268 -10.265 1.00 0.00 C ATOM 1062 CG ARG A 76 13.012 1.911 -10.668 1.00 0.00 C ATOM 1063 CD ARG A 76 13.827 3.153 -10.992 1.00 0.00 C ATOM 1064 NE ARG A 76 13.725 3.522 -12.401 1.00 0.00 N ATOM 1065 CZ ARG A 76 14.453 2.964 -13.362 1.00 0.00 C ATOM 1066 NH1 ARG A 76 15.331 2.015 -13.066 1.00 0.00 N ATOM 1067 NH2 ARG A 76 14.303 3.353 -14.621 1.00 0.00 N ATOM 0 H ARG A 76 8.927 1.654 -10.409 1.00 0.00 H new ATOM 0 HA ARG A 76 10.842 3.219 -12.042 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.597 3.231 -9.755 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.228 1.531 -9.548 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.493 1.359 -9.860 1.00 0.00 H new ATOM 0 HG3 ARG A 76 12.991 1.252 -11.536 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.484 3.983 -10.374 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.872 2.977 -10.738 1.00 0.00 H new ATOM 0 HE ARG A 76 13.058 4.248 -12.662 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.448 1.712 -12.099 1.00 0.00 H new ATOM 0 HH12 ARG A 76 15.889 1.588 -13.805 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.628 4.082 -14.853 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.863 2.924 -15.358 1.00 0.00 H new ATOM 1081 N GLY A 77 10.154 0.003 -11.925 1.00 0.00 N ATOM 1082 CA GLY A 77 10.246 -1.227 -12.690 1.00 0.00 C ATOM 1083 C GLY A 77 10.817 -2.373 -11.878 1.00 0.00 C ATOM 1084 O GLY A 77 10.626 -3.540 -12.220 1.00 0.00 O ATOM 0 H GLY A 77 9.581 -0.058 -11.083 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.255 -1.501 -13.053 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.871 -1.060 -13.567 1.00 0.00 H new ATOM 1088 N SER A 78 11.520 -2.041 -10.800 1.00 0.00 N ATOM 1089 CA SER A 78 12.126 -3.051 -9.941 1.00 0.00 C ATOM 1090 C SER A 78 12.159 -2.580 -8.490 1.00 0.00 C ATOM 1091 O SER A 78 11.926 -1.406 -8.201 1.00 0.00 O ATOM 1092 CB SER A 78 13.543 -3.373 -10.417 1.00 0.00 C ATOM 1093 OG SER A 78 13.520 -4.101 -11.632 1.00 0.00 O ATOM 0 H SER A 78 11.684 -1.080 -10.501 1.00 0.00 H new ATOM 0 HA SER A 78 11.518 -3.954 -9.999 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.103 -2.448 -10.554 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.064 -3.950 -9.653 1.00 0.00 H new ATOM 0 HG SER A 78 14.438 -4.293 -11.916 1.00 0.00 H new ATOM 1099 N ILE A 79 12.449 -3.505 -7.581 1.00 0.00 N ATOM 1100 CA ILE A 79 12.513 -3.186 -6.160 1.00 0.00 C ATOM 1101 C ILE A 79 13.942 -2.870 -5.732 1.00 0.00 C ATOM 1102 O ILE A 79 14.781 -3.766 -5.623 1.00 0.00 O ATOM 1103 CB ILE A 79 11.975 -4.343 -5.298 1.00 0.00 C ATOM 1104 CG1 ILE A 79 10.500 -4.598 -5.612 1.00 0.00 C ATOM 1105 CG2 ILE A 79 12.162 -4.034 -3.820 1.00 0.00 C ATOM 1106 CD1 ILE A 79 10.283 -5.585 -6.738 1.00 0.00 C ATOM 0 H ILE A 79 12.643 -4.481 -7.803 1.00 0.00 H new ATOM 0 HA ILE A 79 11.887 -2.307 -6.005 1.00 0.00 H new ATOM 0 HB ILE A 79 12.539 -5.245 -5.534 1.00 0.00 H new ATOM 0 HG12 ILE A 79 10.005 -4.969 -4.715 1.00 0.00 H new ATOM 0 HG13 ILE A 79 10.024 -3.653 -5.872 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.777 -4.861 -3.224 1.00 0.00 H new ATOM 0 HG22 ILE A 79 13.222 -3.897 -3.608 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.621 -3.122 -3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.214 -5.717 -6.905 1.00 0.00 H new ATOM 0 HD12 ILE A 79 10.749 -5.207 -7.648 1.00 0.00 H new ATOM 0 HD13 ILE A 79 10.730 -6.543 -6.473 1.00 0.00 H new ATOM 1118 N ILE A 80 14.213 -1.592 -5.490 1.00 0.00 N ATOM 1119 CA ILE A 80 15.540 -1.158 -5.071 1.00 0.00 C ATOM 1120 C ILE A 80 15.782 -1.474 -3.599 1.00 0.00 C ATOM 1121 O ILE A 80 15.393 -0.707 -2.717 1.00 0.00 O ATOM 1122 CB ILE A 80 15.737 0.352 -5.300 1.00 0.00 C ATOM 1123 CG1 ILE A 80 15.691 0.674 -6.795 1.00 0.00 C ATOM 1124 CG2 ILE A 80 17.055 0.812 -4.694 1.00 0.00 C ATOM 1125 CD1 ILE A 80 15.418 2.132 -7.091 1.00 0.00 C ATOM 0 H ILE A 80 13.531 -0.839 -5.577 1.00 0.00 H new ATOM 0 HA ILE A 80 16.259 -1.706 -5.681 1.00 0.00 H new ATOM 0 HB ILE A 80 14.926 0.888 -4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 80 16.641 0.391 -7.249 1.00 0.00 H new ATOM 0 HG13 ILE A 80 14.919 0.065 -7.266 1.00 0.00 H new ATOM 0 HG21 ILE A 80 17.180 1.881 -4.864 1.00 0.00 H new ATOM 0 HG22 ILE A 80 17.052 0.613 -3.622 1.00 0.00 H new ATOM 0 HG23 ILE A 80 17.878 0.272 -5.161 1.00 0.00 H new ATOM 0 HD11 ILE A 80 15.399 2.287 -8.170 1.00 0.00 H new ATOM 0 HD12 ILE A 80 14.455 2.415 -6.667 1.00 0.00 H new ATOM 0 HD13 ILE A 80 16.203 2.746 -6.650 1.00 0.00 H new ATOM 1137 N ILE A 81 16.427 -2.606 -3.340 1.00 0.00 N ATOM 1138 CA ILE A 81 16.724 -3.021 -1.975 1.00 0.00 C ATOM 1139 C ILE A 81 17.385 -1.894 -1.189 1.00 0.00 C ATOM 1140 O ILE A 81 17.128 -1.720 0.002 1.00 0.00 O ATOM 1141 CB ILE A 81 17.642 -4.258 -1.950 1.00 0.00 C ATOM 1142 CG1 ILE A 81 16.973 -5.432 -2.667 1.00 0.00 C ATOM 1143 CG2 ILE A 81 17.986 -4.632 -0.516 1.00 0.00 C ATOM 1144 CD1 ILE A 81 17.224 -5.451 -4.158 1.00 0.00 C ATOM 0 H ILE A 81 16.754 -3.253 -4.058 1.00 0.00 H new ATOM 0 HA ILE A 81 15.772 -3.276 -1.508 1.00 0.00 H new ATOM 0 HB ILE A 81 18.567 -4.017 -2.474 1.00 0.00 H new ATOM 0 HG12 ILE A 81 17.334 -6.365 -2.234 1.00 0.00 H new ATOM 0 HG13 ILE A 81 15.899 -5.392 -2.488 1.00 0.00 H new ATOM 0 HG21 ILE A 81 18.635 -5.508 -0.514 1.00 0.00 H new ATOM 0 HG22 ILE A 81 18.499 -3.799 -0.036 1.00 0.00 H new ATOM 0 HG23 ILE A 81 17.070 -4.858 0.031 1.00 0.00 H new ATOM 0 HD11 ILE A 81 16.720 -6.310 -4.601 1.00 0.00 H new ATOM 0 HD12 ILE A 81 16.838 -4.534 -4.604 1.00 0.00 H new ATOM 0 HD13 ILE A 81 18.295 -5.522 -4.346 1.00 0.00 H new ATOM 1156 N SER A 82 18.238 -1.130 -1.865 1.00 0.00 N ATOM 1157 CA SER A 82 18.938 -0.021 -1.229 1.00 0.00 C ATOM 1158 C SER A 82 18.735 1.271 -2.015 1.00 0.00 C ATOM 1159 O SER A 82 19.313 1.476 -3.083 1.00 0.00 O ATOM 1160 CB SER A 82 20.432 -0.331 -1.114 1.00 0.00 C ATOM 1161 OG SER A 82 20.712 -1.056 0.071 1.00 0.00 O ATOM 0 H SER A 82 18.460 -1.259 -2.852 1.00 0.00 H new ATOM 0 HA SER A 82 18.524 0.112 -0.230 1.00 0.00 H new ATOM 0 HB2 SER A 82 20.755 -0.907 -1.981 1.00 0.00 H new ATOM 0 HB3 SER A 82 21.001 0.599 -1.118 1.00 0.00 H new ATOM 0 HG SER A 82 21.673 -1.243 0.121 1.00 0.00 H new ATOM 1167 N PRO A 83 17.894 2.165 -1.475 1.00 0.00 N ATOM 1168 CA PRO A 83 17.594 3.453 -2.108 1.00 0.00 C ATOM 1169 C PRO A 83 18.784 4.406 -2.074 1.00 0.00 C ATOM 1170 O PRO A 83 19.487 4.502 -1.068 1.00 0.00 O ATOM 1171 CB PRO A 83 16.443 4.004 -1.263 1.00 0.00 C ATOM 1172 CG PRO A 83 16.604 3.354 0.067 1.00 0.00 C ATOM 1173 CD PRO A 83 17.170 1.988 -0.205 1.00 0.00 C ATOM 0 HA PRO A 83 17.349 3.341 -3.164 1.00 0.00 H new ATOM 0 HB2 PRO A 83 16.496 5.090 -1.182 1.00 0.00 H new ATOM 0 HB3 PRO A 83 15.477 3.764 -1.706 1.00 0.00 H new ATOM 0 HG2 PRO A 83 17.271 3.933 0.706 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.648 3.284 0.585 1.00 0.00 H new ATOM 0 HD2 PRO A 83 17.835 1.662 0.595 1.00 0.00 H new ATOM 0 HD3 PRO A 83 16.384 1.237 -0.292 1.00 0.00 H new ATOM 1181 N CYS A 84 19.004 5.111 -3.179 1.00 0.00 N ATOM 1182 CA CYS A 84 20.108 6.057 -3.276 1.00 0.00 C ATOM 1183 C CYS A 84 20.244 6.868 -1.991 1.00 0.00 C ATOM 1184 O CYS A 84 19.264 7.100 -1.284 1.00 0.00 O ATOM 1185 CB CYS A 84 19.899 6.997 -4.465 1.00 0.00 C ATOM 1186 SG CYS A 84 21.385 7.938 -4.939 1.00 0.00 S ATOM 0 H CYS A 84 18.431 5.044 -4.020 1.00 0.00 H new ATOM 0 HA CYS A 84 21.027 5.490 -3.426 1.00 0.00 H new ATOM 0 HB2 CYS A 84 19.563 6.413 -5.322 1.00 0.00 H new ATOM 0 HB3 CYS A 84 19.100 7.698 -4.224 1.00 0.00 H new ATOM 0 HG CYS A 84 21.168 8.555 -6.062 1.00 0.00 H new ATOM 1191 N VAL A 85 21.467 7.296 -1.694 1.00 0.00 N ATOM 1192 CA VAL A 85 21.733 8.083 -0.496 1.00 0.00 C ATOM 1193 C VAL A 85 21.971 9.548 -0.841 1.00 0.00 C ATOM 1194 O VAL A 85 22.295 10.357 0.028 1.00 0.00 O ATOM 1195 CB VAL A 85 22.954 7.542 0.271 1.00 0.00 C ATOM 1196 CG1 VAL A 85 22.741 6.086 0.657 1.00 0.00 C ATOM 1197 CG2 VAL A 85 24.218 7.703 -0.559 1.00 0.00 C ATOM 0 H VAL A 85 22.290 7.111 -2.267 1.00 0.00 H new ATOM 0 HA VAL A 85 20.850 8.002 0.138 1.00 0.00 H new ATOM 0 HB VAL A 85 23.072 8.121 1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 85 23.614 5.722 1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 85 21.860 6.003 1.293 1.00 0.00 H new ATOM 0 HG13 VAL A 85 22.596 5.488 -0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 85 25.071 7.316 -0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 85 24.113 7.150 -1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 85 24.377 8.759 -0.778 1.00 0.00 H new ATOM 1207 N VAL A 86 21.808 9.884 -2.117 1.00 0.00 N ATOM 1208 CA VAL A 86 22.004 11.253 -2.578 1.00 0.00 C ATOM 1209 C VAL A 86 20.670 11.933 -2.863 1.00 0.00 C ATOM 1210 O VAL A 86 20.378 13.002 -2.326 1.00 0.00 O ATOM 1211 CB VAL A 86 22.873 11.298 -3.849 1.00 0.00 C ATOM 1212 CG1 VAL A 86 22.425 12.429 -4.762 1.00 0.00 C ATOM 1213 CG2 VAL A 86 24.343 11.447 -3.484 1.00 0.00 C ATOM 0 H VAL A 86 21.541 9.227 -2.850 1.00 0.00 H new ATOM 0 HA VAL A 86 22.516 11.786 -1.777 1.00 0.00 H new ATOM 0 HB VAL A 86 22.749 10.358 -4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 86 23.050 12.445 -5.655 1.00 0.00 H new ATOM 0 HG12 VAL A 86 21.385 12.274 -5.050 1.00 0.00 H new ATOM 0 HG13 VAL A 86 22.518 13.379 -4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 86 24.943 11.477 -4.394 1.00 0.00 H new ATOM 0 HG22 VAL A 86 24.487 12.371 -2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 86 24.654 10.600 -2.873 1.00 0.00 H new ATOM 1223 N CYS A 87 19.862 11.306 -3.712 1.00 0.00 N ATOM 1224 CA CYS A 87 18.558 11.850 -4.070 1.00 0.00 C ATOM 1225 C CYS A 87 17.442 11.121 -3.326 1.00 0.00 C ATOM 1226 O CYS A 87 16.292 11.560 -3.325 1.00 0.00 O ATOM 1227 CB CYS A 87 18.334 11.743 -5.579 1.00 0.00 C ATOM 1228 SG CYS A 87 18.318 10.034 -6.209 1.00 0.00 S ATOM 0 H CYS A 87 20.088 10.420 -4.165 1.00 0.00 H new ATOM 0 HA CYS A 87 18.538 12.901 -3.780 1.00 0.00 H new ATOM 0 HB2 CYS A 87 17.387 12.220 -5.830 1.00 0.00 H new ATOM 0 HB3 CYS A 87 19.117 12.301 -6.092 1.00 0.00 H new ATOM 0 HG CYS A 87 19.170 9.923 -7.185 1.00 0.00 H new ATOM 1233 N ARG A 88 17.791 10.004 -2.695 1.00 0.00 N ATOM 1234 CA ARG A 88 16.820 9.214 -1.948 1.00 0.00 C ATOM 1235 C ARG A 88 15.761 8.632 -2.880 1.00 0.00 C ATOM 1236 O ARG A 88 14.563 8.731 -2.615 1.00 0.00 O ATOM 1237 CB ARG A 88 16.151 10.071 -0.872 1.00 0.00 C ATOM 1238 CG ARG A 88 17.138 10.790 0.034 1.00 0.00 C ATOM 1239 CD ARG A 88 17.951 9.807 0.863 1.00 0.00 C ATOM 1240 NE ARG A 88 17.255 9.417 2.086 1.00 0.00 N ATOM 1241 CZ ARG A 88 16.399 8.404 2.154 1.00 0.00 C ATOM 1242 NH1 ARG A 88 16.134 7.682 1.074 1.00 0.00 N ATOM 1243 NH2 ARG A 88 15.806 8.110 3.304 1.00 0.00 N ATOM 0 H ARG A 88 18.738 9.626 -2.686 1.00 0.00 H new ATOM 0 HA ARG A 88 17.351 8.391 -1.469 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.509 10.808 -1.354 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.507 9.437 -0.263 1.00 0.00 H new ATOM 0 HG2 ARG A 88 17.809 11.401 -0.570 1.00 0.00 H new ATOM 0 HG3 ARG A 88 16.599 11.468 0.696 1.00 0.00 H new ATOM 0 HD2 ARG A 88 18.163 8.919 0.268 1.00 0.00 H new ATOM 0 HD3 ARG A 88 18.911 10.256 1.119 1.00 0.00 H new ATOM 0 HE ARG A 88 17.436 9.952 2.935 1.00 0.00 H new ATOM 0 HH11 ARG A 88 16.588 7.904 0.188 1.00 0.00 H new ATOM 0 HH12 ARG A 88 15.476 6.904 1.129 1.00 0.00 H new ATOM 0 HH21 ARG A 88 16.007 8.662 4.137 1.00 0.00 H new ATOM 0 HH22 ARG A 88 15.149 7.332 3.355 1.00 0.00 H new ATOM 1257 N GLY A 89 16.211 8.026 -3.975 1.00 0.00 N ATOM 1258 CA GLY A 89 15.290 7.438 -4.930 1.00 0.00 C ATOM 1259 C GLY A 89 14.350 8.462 -5.534 1.00 0.00 C ATOM 1260 O GLY A 89 13.149 8.222 -5.646 1.00 0.00 O ATOM 0 H GLY A 89 17.197 7.932 -4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.856 6.955 -5.726 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.707 6.660 -4.437 1.00 0.00 H new ATOM 1264 N ALA A 90 14.898 9.608 -5.924 1.00 0.00 N ATOM 1265 CA ALA A 90 14.101 10.673 -6.520 1.00 0.00 C ATOM 1266 C ALA A 90 14.425 10.837 -8.001 1.00 0.00 C ATOM 1267 O ALA A 90 13.566 11.216 -8.796 1.00 0.00 O ATOM 1268 CB ALA A 90 14.329 11.982 -5.779 1.00 0.00 C ATOM 0 H ALA A 90 15.891 9.823 -5.838 1.00 0.00 H new ATOM 0 HA ALA A 90 13.050 10.399 -6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.727 12.768 -6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.040 11.864 -4.735 1.00 0.00 H new ATOM 0 HB3 ALA A 90 15.383 12.253 -5.835 1.00 0.00 H new ATOM 1274 N GLY A 91 15.671 10.551 -8.365 1.00 0.00 N ATOM 1275 CA GLY A 91 16.087 10.674 -9.750 1.00 0.00 C ATOM 1276 C GLY A 91 16.840 11.962 -10.017 1.00 0.00 C ATOM 1277 O GLY A 91 17.523 12.089 -11.033 1.00 0.00 O ATOM 0 H GLY A 91 16.400 10.236 -7.725 1.00 0.00 H new ATOM 0 HA2 GLY A 91 16.719 9.826 -10.013 1.00 0.00 H new ATOM 0 HA3 GLY A 91 15.209 10.629 -10.395 1.00 0.00 H new ATOM 1281 N GLN A 92 16.714 12.919 -9.104 1.00 0.00 N ATOM 1282 CA GLN A 92 17.387 14.205 -9.248 1.00 0.00 C ATOM 1283 C GLN A 92 18.057 14.617 -7.942 1.00 0.00 C ATOM 1284 O GLN A 92 17.732 14.098 -6.875 1.00 0.00 O ATOM 1285 CB GLN A 92 16.390 15.280 -9.685 1.00 0.00 C ATOM 1286 CG GLN A 92 16.069 15.245 -11.170 1.00 0.00 C ATOM 1287 CD GLN A 92 14.947 14.282 -11.502 1.00 0.00 C ATOM 1288 OE1 GLN A 92 15.108 13.383 -12.328 1.00 0.00 O ATOM 1289 NE2 GLN A 92 13.800 14.465 -10.858 1.00 0.00 N ATOM 0 H GLN A 92 16.153 12.829 -8.257 1.00 0.00 H new ATOM 0 HA GLN A 92 18.156 14.101 -10.013 1.00 0.00 H new ATOM 0 HB2 GLN A 92 15.466 15.158 -9.119 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.792 16.261 -9.432 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.794 16.246 -11.502 1.00 0.00 H new ATOM 0 HG3 GLN A 92 16.963 14.960 -11.724 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.710 15.223 -10.181 1.00 0.00 H new ATOM 0 HE22 GLN A 92 13.009 13.848 -11.040 1.00 0.00 H new ATOM 1298 N ALA A 93 18.995 15.555 -8.034 1.00 0.00 N ATOM 1299 CA ALA A 93 19.710 16.038 -6.859 1.00 0.00 C ATOM 1300 C ALA A 93 20.150 17.487 -7.042 1.00 0.00 C ATOM 1301 O ALA A 93 19.903 18.095 -8.083 1.00 0.00 O ATOM 1302 CB ALA A 93 20.913 15.152 -6.572 1.00 0.00 C ATOM 0 H ALA A 93 19.277 15.995 -8.910 1.00 0.00 H new ATOM 0 HA ALA A 93 19.030 15.996 -6.008 1.00 0.00 H new ATOM 0 HB1 ALA A 93 21.438 15.524 -5.692 1.00 0.00 H new ATOM 0 HB2 ALA A 93 20.578 14.131 -6.390 1.00 0.00 H new ATOM 0 HB3 ALA A 93 21.587 15.165 -7.429 1.00 0.00 H new ATOM 1308 N LYS A 94 20.801 18.035 -6.022 1.00 0.00 N ATOM 1309 CA LYS A 94 21.276 19.413 -6.069 1.00 0.00 C ATOM 1310 C LYS A 94 22.698 19.480 -6.615 1.00 0.00 C ATOM 1311 O LYS A 94 23.658 19.172 -5.909 1.00 0.00 O ATOM 1312 CB LYS A 94 21.224 20.040 -4.674 1.00 0.00 C ATOM 1313 CG LYS A 94 21.827 19.163 -3.590 1.00 0.00 C ATOM 1314 CD LYS A 94 22.328 19.991 -2.418 1.00 0.00 C ATOM 1315 CE LYS A 94 21.192 20.381 -1.485 1.00 0.00 C ATOM 1316 NZ LYS A 94 21.542 21.564 -0.651 1.00 0.00 N ATOM 0 H LYS A 94 21.012 17.546 -5.152 1.00 0.00 H new ATOM 0 HA LYS A 94 20.622 19.974 -6.737 1.00 0.00 H new ATOM 0 HB2 LYS A 94 21.752 20.994 -4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.186 20.255 -4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 94 21.080 18.450 -3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 94 22.651 18.583 -4.006 1.00 0.00 H new ATOM 0 HD2 LYS A 94 23.077 19.424 -1.864 1.00 0.00 H new ATOM 0 HD3 LYS A 94 22.820 20.890 -2.790 1.00 0.00 H new ATOM 0 HE2 LYS A 94 20.300 20.601 -2.071 1.00 0.00 H new ATOM 0 HE3 LYS A 94 20.948 19.539 -0.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 20.743 21.799 -0.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 22.379 21.346 -0.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 21.750 22.375 -1.268 1.00 0.00 H new