USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 499 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 41 THR OG1 : rot 132:sc= 1.14 USER MOD Set 1.2: A 43 SER OG : rot 180:sc= 0.72 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 159:sc= 1.28 (180deg=1.17) USER MOD Single : A 36 SER OG : rot -39:sc= 1.28 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.057 USER MOD Single : A 47 SER OG : rot 75:sc= 0.939 USER MOD Single : A 51 SER OG : rot 71:sc= 0.739 USER MOD Single : A 52 HIS : no HD1:sc= -0.0794 X(o=-0.079,f=-0.19) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.367 K(o=0.37,f=-1.2!) USER MOD Single : A 61 SER OG : rot -36:sc= 1.32 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot -23:sc= 0.997 USER MOD Single : A 77 THR OG1 : rot 71:sc= 1.29 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 135:sc= 1.15 USER MOD Single : A 84 THR OG1 : rot -77:sc= 0.377 USER MOD ----------------------------------------------------------------- ATOM 397 N ALA A 26 -3.641 6.688 -19.957 1.00 0.00 N0 ATOM 398 CA ALA A 26 -3.623 5.402 -19.269 1.00 0.00 C0 ATOM 399 C ALA A 26 -3.859 5.574 -17.775 1.00 0.00 C0 ATOM 400 O ALA A 26 -4.541 4.765 -17.147 1.00 0.00 O0 ATOM 401 CB ALA A 26 -2.303 4.686 -19.518 1.00 0.00 C0 ATOM 0 HA ALA A 26 -4.434 4.794 -19.670 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.305 3.728 -18.998 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.176 4.518 -20.588 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.481 5.298 -19.147 1.00 0.00 H new ATOM 407 N CYS A 27 -3.289 6.634 -17.209 1.00 0.00 N0 ATOM 408 CA CYS A 27 -3.473 6.939 -15.795 1.00 0.00 C0 ATOM 409 C CYS A 27 -4.934 7.233 -15.480 1.00 0.00 C0 ATOM 410 O CYS A 27 -5.451 6.824 -14.440 1.00 0.00 O0 ATOM 411 CB CYS A 27 -2.617 8.139 -15.388 1.00 0.00 C0 ATOM 412 SG CYS A 27 -0.844 7.790 -15.315 1.00 0.00 S0 ATOM 0 H CYS A 27 -2.696 7.296 -17.709 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.161 6.062 -15.228 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.788 8.950 -16.096 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.947 8.493 -14.411 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.204 8.866 -14.964 1.00 0.00 H new ATOM 418 N LYS A 28 -5.596 7.948 -16.384 1.00 0.00 N0 ATOM 419 CA LYS A 28 -7.016 8.245 -16.236 1.00 0.00 C0 ATOM 420 C LYS A 28 -7.856 6.977 -16.321 1.00 0.00 C0 ATOM 421 O LYS A 28 -8.860 6.838 -15.622 1.00 0.00 O0 ATOM 422 CB LYS A 28 -7.467 9.247 -17.299 1.00 0.00 C0 ATOM 423 CG LYS A 28 -6.935 10.660 -17.097 1.00 0.00 C0 ATOM 424 CD LYS A 28 -7.380 11.584 -18.222 1.00 0.00 C0 ATOM 425 CE LYS A 28 -6.832 12.991 -18.033 1.00 0.00 C0 ATOM 426 NZ LYS A 28 -7.236 13.898 -19.141 1.00 0.00 N1+ ATOM 0 H LYS A 28 -5.171 8.333 -17.228 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.163 8.685 -15.250 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.148 8.888 -18.278 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.556 9.280 -17.311 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.287 11.050 -16.142 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.846 10.638 -17.051 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.041 11.185 -19.178 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.469 11.618 -18.258 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.188 13.395 -17.085 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.744 12.952 -17.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.843 14.846 -18.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.875 13.527 -20.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.274 13.956 -19.181 1.00 0.00 H new ATOM 440 N GLU A 29 -7.439 6.054 -17.181 1.00 0.00 N0 ATOM 441 CA GLU A 29 -8.138 4.784 -17.341 1.00 0.00 C0 ATOM 442 C GLU A 29 -7.985 3.912 -16.101 1.00 0.00 C0 ATOM 443 O GLU A 29 -8.917 3.212 -15.705 1.00 0.00 O0 ATOM 444 CB GLU A 29 -7.614 4.038 -18.570 1.00 0.00 C0 ATOM 445 CG GLU A 29 -7.992 4.674 -19.900 1.00 0.00 C0 ATOM 446 CD GLU A 29 -7.343 3.999 -21.076 1.00 0.00 C0 ATOM 447 OE1 GLU A 29 -6.433 3.232 -20.869 1.00 0.00 O0 ATOM 448 OE2 GLU A 29 -7.758 4.250 -22.184 1.00 0.00 O1- ATOM 0 H GLU A 29 -6.619 6.162 -17.779 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.197 5.001 -17.479 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.528 3.976 -18.506 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.993 3.016 -18.549 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.075 4.639 -20.019 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.707 5.726 -19.888 1.00 0.00 H new ATOM 455 N ASP A 30 -6.805 3.959 -15.494 1.00 0.00 N0 ATOM 456 CA ASP A 30 -6.496 3.105 -14.352 1.00 0.00 C0 ATOM 457 C ASP A 30 -7.110 3.656 -13.071 1.00 0.00 C0 ATOM 458 O ASP A 30 -7.923 2.994 -12.426 1.00 0.00 O0 ATOM 459 CB ASP A 30 -4.982 2.964 -14.181 1.00 0.00 C0 ATOM 460 CG ASP A 30 -4.343 2.090 -15.252 1.00 0.00 C0 ATOM 461 OD1 ASP A 30 -5.065 1.423 -15.955 1.00 0.00 O0 ATOM 462 OD2 ASP A 30 -3.140 2.098 -15.356 1.00 0.00 O1- ATOM 0 H ASP A 30 -6.045 4.580 -15.773 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.927 2.123 -14.547 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.525 3.953 -14.206 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.770 2.540 -13.199 1.00 0.00 H new ATOM 467 N ILE A 31 -6.715 4.871 -12.708 1.00 0.00 N0 ATOM 468 CA ILE A 31 -7.136 5.468 -11.446 1.00 0.00 C0 ATOM 469 C ILE A 31 -8.324 6.400 -11.648 1.00 0.00 C0 ATOM 470 O ILE A 31 -8.233 7.388 -12.376 1.00 0.00 O0 ATOM 471 CB ILE A 31 -5.979 6.244 -10.792 1.00 0.00 C0 ATOM 472 CG1 ILE A 31 -4.784 5.317 -10.548 1.00 0.00 C0 ATOM 473 CG2 ILE A 31 -6.436 6.882 -9.488 1.00 0.00 C0 ATOM 474 CD1 ILE A 31 -5.101 4.134 -9.663 1.00 0.00 C0 ATOM 0 H ILE A 31 -6.103 5.462 -13.270 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.436 4.654 -10.786 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.666 7.037 -11.471 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.417 4.953 -11.507 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.977 5.892 -10.095 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.606 7.427 -9.039 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.256 7.571 -9.688 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.774 6.105 -8.802 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.206 3.524 -9.536 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.439 4.488 -8.689 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.886 3.535 -10.124 1.00 0.00 H new ATOM 486 N PRO A 32 -9.438 6.081 -10.997 1.00 0.00 N0 ATOM 487 CA PRO A 32 -10.620 6.932 -11.039 1.00 0.00 C0 ATOM 488 C PRO A 32 -10.302 8.343 -10.562 1.00 0.00 C0 ATOM 489 O PRO A 32 -9.502 8.533 -9.646 1.00 0.00 O0 ATOM 490 CB PRO A 32 -11.591 6.221 -10.090 1.00 0.00 C0 ATOM 491 CG PRO A 32 -11.146 4.799 -10.111 1.00 0.00 C0 ATOM 492 CD PRO A 32 -9.645 4.876 -10.185 1.00 0.00 C0 ATOM 0 HA PRO A 32 -11.024 7.059 -12.043 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.543 6.639 -9.084 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -12.623 6.321 -10.427 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -11.473 4.267 -9.217 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -11.559 4.266 -10.968 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -9.192 4.967 -9.198 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -9.214 3.991 -10.652 1.00 0.00 H new ATOM 500 N SER A 33 -10.931 9.331 -11.190 1.00 0.00 N0 ATOM 501 CA SER A 33 -10.703 10.729 -10.842 1.00 0.00 C0 ATOM 502 C SER A 33 -11.134 11.017 -9.410 1.00 0.00 C0 ATOM 503 O SER A 33 -10.563 11.878 -8.741 1.00 0.00 O0 ATOM 504 CB SER A 33 -11.454 11.634 -11.799 1.00 0.00 C0 ATOM 505 OG SER A 33 -12.839 11.486 -11.645 1.00 0.00 O0 ATOM 0 H SER A 33 -11.604 9.189 -11.944 1.00 0.00 H new ATOM 0 HA SER A 33 -9.634 10.926 -10.923 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.173 12.672 -11.620 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.171 11.399 -12.825 1.00 0.00 H new ATOM 0 HG SER A 33 -13.303 12.080 -12.271 1.00 0.00 H new ATOM 511 N GLU A 34 -12.145 10.291 -8.945 1.00 0.00 N0 ATOM 512 CA GLU A 34 -12.620 10.429 -7.573 1.00 0.00 C0 ATOM 513 C GLU A 34 -11.592 9.902 -6.578 1.00 0.00 C0 ATOM 514 O GLU A 34 -11.479 10.409 -5.462 1.00 0.00 O0 ATOM 515 CB GLU A 34 -13.946 9.688 -7.391 1.00 0.00 C0 ATOM 516 CG GLU A 34 -15.120 10.308 -8.135 1.00 0.00 C0 ATOM 517 CD GLU A 34 -16.395 9.530 -7.969 1.00 0.00 C0 ATOM 518 OE1 GLU A 34 -16.342 8.444 -7.442 1.00 0.00 O0 ATOM 519 OE2 GLU A 34 -17.424 10.021 -8.370 1.00 0.00 O1- ATOM 0 H GLU A 34 -12.652 9.600 -9.499 1.00 0.00 H new ATOM 0 HA GLU A 34 -12.773 11.491 -7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.822 8.658 -7.727 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.184 9.650 -6.328 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.273 11.326 -7.778 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -14.877 10.375 -9.195 1.00 0.00 H new ATOM 526 N LYS A 35 -10.846 8.884 -6.991 1.00 0.00 N0 ATOM 527 CA LYS A 35 -9.820 8.292 -6.140 1.00 0.00 C0 ATOM 528 C LYS A 35 -8.522 9.086 -6.208 1.00 0.00 C0 ATOM 529 O LYS A 35 -7.736 9.092 -5.260 1.00 0.00 O0 ATOM 530 CB LYS A 35 -9.567 6.837 -6.539 1.00 0.00 C0 ATOM 531 CG LYS A 35 -10.768 5.918 -6.359 1.00 0.00 C0 ATOM 532 CD LYS A 35 -11.191 5.840 -4.901 1.00 0.00 C0 ATOM 533 CE LYS A 35 -10.291 4.899 -4.112 1.00 0.00 C0 ATOM 534 NZ LYS A 35 -10.661 4.852 -2.671 1.00 0.00 N1+ ATOM 0 H LYS A 35 -10.932 8.451 -7.910 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.183 8.320 -5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.256 6.808 -7.583 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.737 6.450 -5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.600 6.281 -6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.523 4.920 -6.722 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.158 6.835 -4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.224 5.497 -4.838 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.354 3.897 -4.536 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.254 5.222 -4.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.293 3.977 -2.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.253 5.673 -2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.697 4.873 -2.578 1.00 0.00 H new ATOM 548 N SER A 36 -8.304 9.758 -7.333 1.00 0.00 N0 ATOM 549 CA SER A 36 -7.123 10.595 -7.509 1.00 0.00 C0 ATOM 550 C SER A 36 -7.150 11.790 -6.562 1.00 0.00 C0 ATOM 551 O SER A 36 -6.116 12.399 -6.288 1.00 0.00 O0 ATOM 552 CB SER A 36 -7.033 11.077 -8.943 1.00 0.00 C0 ATOM 553 OG SER A 36 -7.998 12.059 -9.205 1.00 0.00 O0 ATOM 0 H SER A 36 -8.931 9.739 -8.138 1.00 0.00 H new ATOM 0 HA SER A 36 -6.245 9.992 -7.275 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.038 11.480 -9.133 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.171 10.236 -9.622 1.00 0.00 H new ATOM 0 HG SER A 36 -8.836 11.823 -8.754 1.00 0.00 H new ATOM 559 N GLU A 37 -8.338 12.118 -6.067 1.00 0.00 N0 ATOM 560 CA GLU A 37 -8.486 13.162 -5.059 1.00 0.00 C0 ATOM 561 C GLU A 37 -7.961 12.700 -3.706 1.00 0.00 C0 ATOM 562 O GLU A 37 -7.562 13.514 -2.873 1.00 0.00 O0 ATOM 563 CB GLU A 37 -9.953 13.577 -4.933 1.00 0.00 C0 ATOM 564 CG GLU A 37 -10.507 14.304 -6.150 1.00 0.00 C0 ATOM 565 CD GLU A 37 -11.946 14.709 -5.984 1.00 0.00 C0 ATOM 566 OE1 GLU A 37 -12.540 14.333 -5.003 1.00 0.00 O0 ATOM 567 OE2 GLU A 37 -12.452 15.396 -6.841 1.00 0.00 O1- ATOM 0 H GLU A 37 -9.213 11.676 -6.347 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.897 14.021 -5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.555 12.687 -4.751 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.062 14.220 -4.060 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.905 15.192 -6.342 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.414 13.661 -7.025 1.00 0.00 H new ATOM 574 N GLU A 38 -7.963 11.388 -3.493 1.00 0.00 N0 ATOM 575 CA GLU A 38 -7.475 10.814 -2.245 1.00 0.00 C0 ATOM 576 C GLU A 38 -5.969 10.594 -2.290 1.00 0.00 C0 ATOM 577 O GLU A 38 -5.305 10.560 -1.254 1.00 0.00 O0 ATOM 578 CB GLU A 38 -8.186 9.491 -1.953 1.00 0.00 C0 ATOM 579 CG GLU A 38 -9.681 9.624 -1.697 1.00 0.00 C0 ATOM 580 CD GLU A 38 -10.359 8.297 -1.490 1.00 0.00 C0 ATOM 581 OE1 GLU A 38 -9.742 7.290 -1.744 1.00 0.00 O0 ATOM 582 OE2 GLU A 38 -11.494 8.290 -1.078 1.00 0.00 O1- ATOM 0 H GLU A 38 -8.298 10.702 -4.170 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.693 11.522 -1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.032 8.816 -2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.721 9.027 -1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.840 10.249 -0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.145 10.136 -2.540 1.00 0.00 H new ATOM 589 N ILE A 39 -5.435 10.443 -3.498 1.00 0.00 N0 ATOM 590 CA ILE A 39 -3.999 10.266 -3.684 1.00 0.00 C0 ATOM 591 C ILE A 39 -3.248 11.570 -3.449 1.00 0.00 C0 ATOM 592 O ILE A 39 -3.570 12.599 -4.043 1.00 0.00 O0 ATOM 593 CB ILE A 39 -3.690 9.742 -5.098 1.00 0.00 C0 ATOM 594 CG1 ILE A 39 -4.299 8.351 -5.297 1.00 0.00 C0 ATOM 595 CG2 ILE A 39 -2.188 9.707 -5.335 1.00 0.00 C0 ATOM 596 CD1 ILE A 39 -4.258 7.866 -6.728 1.00 0.00 C0 ATOM 0 H ILE A 39 -5.975 10.440 -4.363 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.664 9.532 -2.951 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.137 10.421 -5.825 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.768 7.638 -4.666 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.335 8.366 -4.958 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.987 9.334 -6.339 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.780 10.713 -5.233 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.719 9.049 -4.603 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.707 6.875 -6.789 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.814 8.556 -7.362 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.223 7.817 -7.066 1.00 0.00 H new ATOM 608 N THR A 40 -2.246 11.521 -2.579 1.00 0.00 N0 ATOM 609 CA THR A 40 -1.471 12.707 -2.233 1.00 0.00 C0 ATOM 610 C THR A 40 -0.054 12.619 -2.787 1.00 0.00 C0 ATOM 611 O THR A 40 0.518 13.622 -3.214 1.00 0.00 O0 ATOM 612 CB THR A 40 -1.419 12.911 -0.708 1.00 0.00 C0 ATOM 613 OG1 THR A 40 -0.799 11.775 -0.092 1.00 0.00 O0 ATOM 614 CG2 THR A 40 -2.821 13.086 -0.146 1.00 0.00 C0 ATOM 0 H THR A 40 -1.951 10.671 -2.099 1.00 0.00 H new ATOM 0 HA THR A 40 -1.972 13.563 -2.685 1.00 0.00 H new ATOM 0 HB THR A 40 -0.839 13.809 -0.496 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.765 11.907 0.878 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.765 13.229 0.933 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.290 13.957 -0.604 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.414 12.198 -0.364 1.00 0.00 H new ATOM 622 N THR A 41 0.506 11.415 -2.778 1.00 0.00 N0 ATOM 623 CA THR A 41 1.878 11.205 -3.223 1.00 0.00 C0 ATOM 624 C THR A 41 1.938 10.204 -4.370 1.00 0.00 C0 ATOM 625 O THR A 41 0.914 9.663 -4.788 1.00 0.00 O0 ATOM 626 CB THR A 41 2.769 10.718 -2.065 1.00 0.00 C0 ATOM 627 OG1 THR A 41 2.345 9.414 -1.647 1.00 0.00 O0 ATOM 628 CG2 THR A 41 2.683 11.677 -0.887 1.00 0.00 C0 ATOM 0 H THR A 41 0.030 10.568 -2.467 1.00 0.00 H new ATOM 0 HA THR A 41 2.253 12.166 -3.576 1.00 0.00 H new ATOM 0 HB THR A 41 3.801 10.677 -2.413 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.124 8.823 -1.577 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.319 11.317 -0.078 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.017 12.667 -1.198 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.651 11.735 -0.540 1.00 0.00 H new ATOM 636 N GLY A 42 3.143 9.962 -4.875 1.00 0.00 N0 ATOM 637 CA GLY A 42 3.344 8.988 -5.941 1.00 0.00 C0 ATOM 638 C GLY A 42 3.383 7.568 -5.390 1.00 0.00 C0 ATOM 639 O GLY A 42 3.059 6.610 -6.092 1.00 0.00 O0 ATOM 0 H GLY A 42 3.995 10.427 -4.563 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.541 9.075 -6.673 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.276 9.204 -6.463 1.00 0.00 H new ATOM 643 N SER A 43 3.781 7.440 -4.129 1.00 0.00 N0 ATOM 644 CA SER A 43 3.706 6.162 -3.428 1.00 0.00 C0 ATOM 645 C SER A 43 2.262 5.791 -3.116 1.00 0.00 C0 ATOM 646 O SER A 43 1.905 4.612 -3.098 1.00 0.00 O0 ATOM 647 CB SER A 43 4.511 6.224 -2.145 1.00 0.00 C0 ATOM 648 OG SER A 43 3.952 7.141 -1.244 1.00 0.00 O0 ATOM 0 H SER A 43 4.159 8.205 -3.571 1.00 0.00 H new ATOM 0 HA SER A 43 4.123 5.394 -4.079 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.548 5.236 -1.687 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.538 6.510 -2.370 1.00 0.00 H new ATOM 0 HG SER A 43 4.488 7.162 -0.424 1.00 0.00 H new ATOM 654 N ALA A 44 1.436 6.800 -2.869 1.00 0.00 N0 ATOM 655 CA ALA A 44 -0.003 6.601 -2.742 1.00 0.00 C0 ATOM 656 C ALA A 44 -0.621 6.186 -4.071 1.00 0.00 C0 ATOM 657 O ALA A 44 -1.423 5.253 -4.130 1.00 0.00 O0 ATOM 658 CB ALA A 44 -0.670 7.866 -2.221 1.00 0.00 C0 ATOM 0 H ALA A 44 1.739 7.767 -2.752 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.169 5.795 -2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.744 7.701 -2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.259 8.118 -1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.485 8.687 -2.914 1.00 0.00 H new ATOM 664 N TRP A 45 -0.243 6.883 -5.137 1.00 0.00 N0 ATOM 665 CA TRP A 45 -0.667 6.516 -6.483 1.00 0.00 C0 ATOM 666 C TRP A 45 -0.331 5.062 -6.789 1.00 0.00 C0 ATOM 667 O TRP A 45 -1.183 4.303 -7.251 1.00 0.00 O0 ATOM 668 CB TRP A 45 -0.004 7.427 -7.518 1.00 0.00 C0 ATOM 669 CG TRP A 45 -0.447 7.156 -8.923 1.00 0.00 C0 ATOM 670 CD1 TRP A 45 0.059 6.218 -9.772 1.00 0.00 C0 ATOM 671 CD2 TRP A 45 -1.496 7.835 -9.656 1.00 0.00 C0 ATOM 672 NE1 TRP A 45 -0.598 6.265 -10.977 1.00 0.00 N0 ATOM 673 CE2 TRP A 45 -1.554 7.248 -10.923 1.00 0.00 C0 ATOM 674 CE3 TRP A 45 -2.378 8.877 -9.343 1.00 0.00 C0 ATOM 675 CZ2 TRP A 45 -2.460 7.668 -11.886 1.00 0.00 C0 ATOM 676 CZ3 TRP A 45 -3.287 9.296 -10.307 1.00 0.00 C0 ATOM 677 CH2 TRP A 45 -3.326 8.706 -11.545 1.00 0.00 C0 ATOM 0 H TRP A 45 0.357 7.707 -5.095 1.00 0.00 H new ATOM 0 HA TRP A 45 -1.749 6.639 -6.535 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.224 8.465 -7.270 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.078 7.306 -7.457 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.861 5.536 -9.532 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -0.407 5.667 -11.781 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -2.352 9.346 -8.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -2.493 7.208 -12.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -3.973 10.098 -10.078 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -4.044 9.054 -12.272 1.00 0.00 H new ATOM 688 N PHE A 46 0.915 4.682 -6.530 1.00 0.00 N0 ATOM 689 CA PHE A 46 1.350 3.304 -6.724 1.00 0.00 C0 ATOM 690 C PHE A 46 0.481 2.334 -5.934 1.00 0.00 C0 ATOM 691 O PHE A 46 0.063 1.298 -6.449 1.00 0.00 O0 ATOM 692 CB PHE A 46 2.813 3.142 -6.306 1.00 0.00 C0 ATOM 693 CG PHE A 46 3.358 1.760 -6.530 1.00 0.00 C0 ATOM 694 CD1 PHE A 46 3.895 1.402 -7.758 1.00 0.00 C0 ATOM 695 CD2 PHE A 46 3.334 0.815 -5.516 1.00 0.00 C0 ATOM 696 CE1 PHE A 46 4.397 0.130 -7.965 1.00 0.00 C0 ATOM 697 CE2 PHE A 46 3.834 -0.455 -5.720 1.00 0.00 C0 ATOM 698 CZ PHE A 46 4.366 -0.798 -6.946 1.00 0.00 C0 ATOM 0 H PHE A 46 1.642 5.309 -6.185 1.00 0.00 H new ATOM 0 HA PHE A 46 1.250 3.072 -7.784 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.421 3.857 -6.861 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.909 3.394 -5.250 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.921 2.124 -8.561 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.919 1.076 -4.554 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.813 -0.136 -8.925 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.809 -1.180 -4.920 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.757 -1.792 -7.107 1.00 0.00 H new ATOM 708 N SER A 47 0.212 2.677 -4.678 1.00 0.00 N0 ATOM 709 CA SER A 47 -0.610 1.839 -3.814 1.00 0.00 C0 ATOM 710 C SER A 47 -1.998 1.631 -4.407 1.00 0.00 C0 ATOM 711 O SER A 47 -2.554 0.535 -4.339 1.00 0.00 O0 ATOM 712 CB SER A 47 -0.727 2.463 -2.437 1.00 0.00 C0 ATOM 713 OG SER A 47 0.519 2.507 -1.798 1.00 0.00 O0 ATOM 0 H SER A 47 0.552 3.531 -4.236 1.00 0.00 H new ATOM 0 HA SER A 47 -0.125 0.867 -3.730 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.131 3.472 -2.524 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.430 1.889 -1.832 1.00 0.00 H new ATOM 0 HG SER A 47 1.066 3.217 -2.195 1.00 0.00 H new ATOM 719 N PHE A 48 -2.553 2.689 -4.987 1.00 0.00 N0 ATOM 720 CA PHE A 48 -3.886 2.630 -5.575 1.00 0.00 C0 ATOM 721 C PHE A 48 -3.899 1.754 -6.821 1.00 0.00 C0 ATOM 722 O PHE A 48 -4.883 1.067 -7.098 1.00 0.00 O0 ATOM 723 CB PHE A 48 -4.377 4.036 -5.927 1.00 0.00 C0 ATOM 724 CG PHE A 48 -4.966 4.781 -4.764 1.00 0.00 C0 ATOM 725 CD1 PHE A 48 -4.323 4.796 -3.534 1.00 0.00 C0 ATOM 726 CD2 PHE A 48 -6.164 5.467 -4.896 1.00 0.00 C0 ATOM 727 CE1 PHE A 48 -4.864 5.482 -2.464 1.00 0.00 C0 ATOM 728 CE2 PHE A 48 -6.706 6.154 -3.827 1.00 0.00 C0 ATOM 729 CZ PHE A 48 -6.055 6.160 -2.609 1.00 0.00 C0 ATOM 0 H PHE A 48 -2.100 3.600 -5.063 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.556 2.190 -4.836 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.544 4.611 -6.331 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.125 3.962 -6.716 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.390 4.266 -3.412 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.679 5.464 -5.845 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.353 5.487 -1.513 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.638 6.686 -3.944 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.478 6.695 -1.772 1.00 0.00 H new ATOM 739 N LEU A 49 -2.803 1.784 -7.572 1.00 0.00 N0 ATOM 740 CA LEU A 49 -2.652 0.927 -8.741 1.00 0.00 C0 ATOM 741 C LEU A 49 -2.738 -0.546 -8.361 1.00 0.00 C0 ATOM 742 O LEU A 49 -3.325 -1.349 -9.084 1.00 0.00 O0 ATOM 743 CB LEU A 49 -1.311 1.205 -9.432 1.00 0.00 C0 ATOM 744 CG LEU A 49 -1.208 2.545 -10.171 1.00 0.00 C0 ATOM 745 CD1 LEU A 49 0.228 2.767 -10.624 1.00 0.00 C0 ATOM 746 CD2 LEU A 49 -2.161 2.545 -11.357 1.00 0.00 C0 ATOM 0 H LEU A 49 -2.006 2.394 -7.391 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.468 1.153 -9.428 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.521 1.163 -8.682 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.117 0.403 -10.144 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.488 3.360 -9.504 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.301 3.719 -11.149 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.886 2.781 -9.755 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.527 1.960 -11.293 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.088 3.497 -11.882 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.897 1.735 -12.036 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.182 2.403 -11.003 1.00 0.00 H new ATOM 758 N GLU A 50 -2.151 -0.891 -7.221 1.00 0.00 N0 ATOM 759 CA GLU A 50 -2.280 -2.236 -6.669 1.00 0.00 C0 ATOM 760 C GLU A 50 -3.688 -2.483 -6.143 1.00 0.00 C0 ATOM 761 O GLU A 50 -4.260 -3.552 -6.353 1.00 0.00 O0 ATOM 762 CB GLU A 50 -1.261 -2.453 -5.549 1.00 0.00 C0 ATOM 763 CG GLU A 50 0.185 -2.535 -6.021 1.00 0.00 C0 ATOM 764 CD GLU A 50 1.152 -2.788 -4.899 1.00 0.00 C0 ATOM 765 OE1 GLU A 50 0.788 -2.578 -3.766 1.00 0.00 O0 ATOM 766 OE2 GLU A 50 2.257 -3.192 -5.173 1.00 0.00 O1- ATOM 0 H GLU A 50 -1.581 -0.258 -6.660 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.085 -2.946 -7.473 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.350 -1.638 -4.830 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.511 -3.373 -5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.276 -3.332 -6.759 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.452 -1.604 -6.521 1.00 0.00 H new ATOM 773 N SER A 51 -4.241 -1.487 -5.460 1.00 0.00 N0 ATOM 774 CA SER A 51 -5.546 -1.626 -4.824 1.00 0.00 C0 ATOM 775 C SER A 51 -6.638 -1.879 -5.856 1.00 0.00 C0 ATOM 776 O SER A 51 -7.568 -2.648 -5.614 1.00 0.00 O0 ATOM 777 CB SER A 51 -5.872 -0.382 -4.022 1.00 0.00 C0 ATOM 778 OG SER A 51 -4.977 -0.222 -2.957 1.00 0.00 O0 ATOM 0 H SER A 51 -3.805 -0.574 -5.332 1.00 0.00 H new ATOM 0 HA SER A 51 -5.504 -2.485 -4.155 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.832 0.494 -4.670 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.890 -0.449 -3.639 1.00 0.00 H new ATOM 0 HG SER A 51 -4.099 0.039 -3.304 1.00 0.00 H new ATOM 784 N HIS A 52 -6.519 -1.226 -7.006 1.00 0.00 N0 ATOM 785 CA HIS A 52 -7.541 -1.309 -8.043 1.00 0.00 C0 ATOM 786 C HIS A 52 -7.190 -2.368 -9.080 1.00 0.00 C0 ATOM 787 O HIS A 52 -7.859 -2.492 -10.106 1.00 0.00 O0 ATOM 788 CB HIS A 52 -7.724 0.048 -8.732 1.00 0.00 C0 ATOM 789 CG HIS A 52 -8.297 1.103 -7.839 1.00 0.00 C0 ATOM 790 ND1 HIS A 52 -9.585 1.045 -7.350 1.00 0.00 N0 ATOM 791 CD2 HIS A 52 -7.759 2.245 -7.349 1.00 0.00 C0 ATOM 792 CE1 HIS A 52 -9.814 2.105 -6.594 1.00 0.00 C0 ATOM 793 NE2 HIS A 52 -8.723 2.848 -6.578 1.00 0.00 N0 ATOM 0 H HIS A 52 -5.724 -0.633 -7.244 1.00 0.00 H new ATOM 0 HA HIS A 52 -8.476 -1.593 -7.560 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -6.759 0.388 -9.108 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -8.377 -0.078 -9.596 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -6.760 2.613 -7.530 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -10.736 2.326 -6.077 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -8.613 3.728 -6.074 1.00 0.00 H new ATOM 801 N ASN A 53 -6.138 -3.132 -8.806 1.00 0.00 N0 ATOM 802 CA ASN A 53 -5.686 -4.172 -9.722 1.00 0.00 C0 ATOM 803 C ASN A 53 -5.405 -3.602 -11.107 1.00 0.00 C0 ATOM 804 O ASN A 53 -5.754 -4.209 -12.120 1.00 0.00 O0 ATOM 805 CB ASN A 53 -6.707 -5.293 -9.802 1.00 0.00 C0 ATOM 806 CG ASN A 53 -6.891 -6.001 -8.489 1.00 0.00 C0 ATOM 807 OD1 ASN A 53 -5.916 -6.300 -7.789 1.00 0.00 O0 ATOM 808 ND2 ASN A 53 -8.121 -6.278 -8.141 1.00 0.00 N0 ATOM 0 H ASN A 53 -5.582 -3.050 -7.955 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.753 -4.580 -9.333 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.664 -4.886 -10.128 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.393 -6.013 -10.558 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.306 -6.759 -7.261 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.895 -6.013 -8.750 1.00 0.00 H new ATOM 815 N LYS A 54 -4.774 -2.434 -11.144 1.00 0.00 N0 ATOM 816 CA LYS A 54 -4.459 -1.773 -12.404 1.00 0.00 C0 ATOM 817 C LYS A 54 -2.976 -1.892 -12.733 1.00 0.00 C0 ATOM 818 O LYS A 54 -2.571 -1.737 -13.886 1.00 0.00 O0 ATOM 819 CB LYS A 54 -4.869 -0.301 -12.355 1.00 0.00 C0 ATOM 820 CG LYS A 54 -6.356 -0.070 -12.123 1.00 0.00 C0 ATOM 821 CD LYS A 54 -7.188 -0.641 -13.262 1.00 0.00 C0 ATOM 822 CE LYS A 54 -8.669 -0.349 -13.068 1.00 0.00 C0 ATOM 823 NZ LYS A 54 -9.501 -0.946 -14.147 1.00 0.00 N1+ ATOM 0 H LYS A 54 -4.470 -1.925 -10.314 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.024 -2.272 -13.191 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.309 0.193 -11.561 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.582 0.175 -13.292 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.656 -0.533 -11.183 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.550 0.998 -12.028 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.853 -0.216 -14.208 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.033 -1.718 -13.324 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.992 -0.740 -12.103 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.826 0.729 -13.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.502 -0.723 -13.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.211 -0.555 -15.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.372 -1.978 -14.154 1.00 0.00 H new ATOM 837 N LEU A 55 -2.169 -2.171 -11.714 1.00 0.00 N0 ATOM 838 CA LEU A 55 -0.727 -2.291 -11.890 1.00 0.00 C0 ATOM 839 C LEU A 55 -0.364 -3.591 -12.595 1.00 0.00 C0 ATOM 840 O LEU A 55 0.029 -4.566 -11.955 1.00 0.00 O0 ATOM 841 CB LEU A 55 -0.021 -2.226 -10.530 1.00 0.00 C0 ATOM 842 CG LEU A 55 1.511 -2.167 -10.578 1.00 0.00 C0 ATOM 843 CD1 LEU A 55 1.948 -0.922 -11.338 1.00 0.00 C0 ATOM 844 CD2 LEU A 55 2.064 -2.164 -9.161 1.00 0.00 C0 ATOM 0 H LEU A 55 -2.490 -2.318 -10.757 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.395 -1.459 -12.511 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.383 -1.348 -9.995 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.315 -3.099 -9.947 1.00 0.00 H new ATOM 0 HG LEU A 55 1.901 -3.042 -11.098 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.037 -0.880 -11.372 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.554 -0.959 -12.354 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.566 -0.035 -10.833 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.153 -2.122 -9.195 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.684 -1.295 -8.624 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.752 -3.073 -8.647 1.00 0.00 H new ATOM 856 N ASP A 56 -0.501 -3.599 -13.916 1.00 0.00 N0 ATOM 857 CA ASP A 56 -0.130 -4.760 -14.718 1.00 0.00 C0 ATOM 858 C ASP A 56 0.290 -4.348 -16.122 1.00 0.00 C0 ATOM 859 O ASP A 56 0.152 -3.186 -16.507 1.00 0.00 O0 ATOM 860 CB ASP A 56 -1.294 -5.751 -14.797 1.00 0.00 C0 ATOM 861 CG ASP A 56 -0.835 -7.191 -14.981 1.00 0.00 C0 ATOM 862 OD1 ASP A 56 0.313 -7.392 -15.300 1.00 0.00 O0 ATOM 863 OD2 ASP A 56 -1.636 -8.076 -14.801 1.00 0.00 O1- ATOM 0 H ASP A 56 -0.867 -2.814 -14.455 1.00 0.00 H new ATOM 0 HA ASP A 56 0.718 -5.241 -14.231 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.889 -5.678 -13.887 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.945 -5.474 -15.626 1.00 0.00 H new ATOM 868 N LYS A 57 0.803 -5.307 -16.886 1.00 0.00 N0 ATOM 869 CA LYS A 57 1.327 -5.027 -18.218 1.00 0.00 C0 ATOM 870 C LYS A 57 0.222 -4.561 -19.157 1.00 0.00 C0 ATOM 871 O LYS A 57 -0.905 -5.052 -19.096 1.00 0.00 O0 ATOM 872 CB LYS A 57 2.019 -6.265 -18.793 1.00 0.00 C0 ATOM 873 CG LYS A 57 3.303 -6.658 -18.073 1.00 0.00 C0 ATOM 874 CD LYS A 57 3.962 -7.859 -18.736 1.00 0.00 C0 ATOM 875 CE LYS A 57 5.244 -8.253 -18.018 1.00 0.00 C0 ATOM 876 NZ LYS A 57 5.903 -9.423 -18.660 1.00 0.00 N1+ ATOM 0 H LYS A 57 0.867 -6.286 -16.605 1.00 0.00 H new ATOM 0 HA LYS A 57 2.058 -4.224 -18.127 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.325 -7.104 -18.757 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.246 -6.084 -19.844 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.995 -5.815 -18.072 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.082 -6.891 -17.031 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.270 -8.701 -18.738 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.183 -7.626 -19.778 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.931 -7.407 -18.012 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.020 -8.488 -16.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.773 -9.660 -18.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.257 -10.238 -18.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.141 -9.190 -19.645 1.00 0.00 H new ATOM 890 N ASP A 58 0.553 -3.613 -20.026 1.00 0.00 N0 ATOM 891 CA ASP A 58 1.927 -3.146 -20.166 1.00 0.00 C0 ATOM 892 C ASP A 58 2.190 -1.933 -19.282 1.00 0.00 C0 ATOM 893 O ASP A 58 3.291 -1.383 -19.279 1.00 0.00 O0 ATOM 894 CB ASP A 58 2.230 -2.797 -21.625 1.00 0.00 C0 ATOM 895 CG ASP A 58 2.210 -4.012 -22.542 1.00 0.00 C0 ATOM 896 OD1 ASP A 58 2.534 -5.082 -22.084 1.00 0.00 O0 ATOM 897 OD2 ASP A 58 1.871 -3.860 -23.691 1.00 0.00 O1- ATOM 0 H ASP A 58 -0.113 -3.152 -20.646 1.00 0.00 H new ATOM 0 HA ASP A 58 2.584 -3.955 -19.847 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.499 -2.070 -21.978 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.208 -2.320 -21.683 1.00 0.00 H new ATOM 902 N ASN A 59 1.171 -1.520 -18.535 1.00 0.00 N0 ATOM 903 CA ASN A 59 1.251 -0.303 -17.738 1.00 0.00 C0 ATOM 904 C ASN A 59 2.247 -0.455 -16.595 1.00 0.00 C0 ATOM 905 O ASN A 59 2.826 0.526 -16.128 1.00 0.00 O0 ATOM 906 CB ASN A 59 -0.119 0.077 -17.205 1.00 0.00 C0 ATOM 907 CG ASN A 59 -1.032 0.601 -18.279 1.00 0.00 C0 ATOM 908 OD1 ASN A 59 -0.657 0.660 -19.455 1.00 0.00 O0 ATOM 909 ND2 ASN A 59 -2.222 0.985 -17.896 1.00 0.00 N0 ATOM 0 H ASN A 59 0.280 -2.011 -18.466 1.00 0.00 H new ATOM 0 HA ASN A 59 1.606 0.498 -18.386 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.577 -0.794 -16.737 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.006 0.833 -16.428 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.884 1.352 -18.580 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.488 0.918 -16.914 1.00 0.00 H new ATOM 916 N LEU A 60 2.443 -1.691 -16.149 1.00 0.00 N0 ATOM 917 CA LEU A 60 3.472 -1.996 -15.163 1.00 0.00 C0 ATOM 918 C LEU A 60 4.832 -1.474 -15.607 1.00 0.00 C0 ATOM 919 O LEU A 60 5.527 -0.798 -14.848 1.00 0.00 O0 ATOM 920 CB LEU A 60 3.550 -3.509 -14.927 1.00 0.00 C0 ATOM 921 CG LEU A 60 4.664 -3.979 -13.984 1.00 0.00 C0 ATOM 922 CD1 LEU A 60 4.434 -3.398 -12.596 1.00 0.00 C0 ATOM 923 CD2 LEU A 60 4.686 -5.501 -13.943 1.00 0.00 C0 ATOM 0 H LEU A 60 1.901 -2.499 -16.456 1.00 0.00 H new ATOM 0 HA LEU A 60 3.200 -1.499 -14.232 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.594 -3.845 -14.526 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.683 -4.002 -15.890 1.00 0.00 H new ATOM 0 HG LEU A 60 5.631 -3.630 -14.347 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.226 -3.732 -11.926 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.441 -2.309 -12.651 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.470 -3.736 -12.215 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.478 -5.836 -13.273 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.726 -5.869 -13.582 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.870 -5.889 -14.945 1.00 0.00 H new ATOM 935 N SER A 61 5.207 -1.791 -16.841 1.00 0.00 N0 ATOM 936 CA SER A 61 6.489 -1.361 -17.387 1.00 0.00 C0 ATOM 937 C SER A 61 6.499 0.139 -17.652 1.00 0.00 C0 ATOM 938 O SER A 61 7.550 0.779 -17.616 1.00 0.00 O0 ATOM 939 CB SER A 61 6.790 -2.112 -18.669 1.00 0.00 C0 ATOM 940 OG SER A 61 5.900 -1.745 -19.687 1.00 0.00 O0 ATOM 0 H SER A 61 4.641 -2.345 -17.483 1.00 0.00 H new ATOM 0 HA SER A 61 7.260 -1.583 -16.649 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.813 -1.906 -18.984 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.722 -3.185 -18.491 1.00 0.00 H new ATOM 0 HG SER A 61 5.011 -1.591 -19.304 1.00 0.00 H new ATOM 946 N TYR A 62 5.322 0.694 -17.920 1.00 0.00 N0 ATOM 947 CA TYR A 62 5.182 2.132 -18.122 1.00 0.00 C0 ATOM 948 C TYR A 62 5.392 2.894 -16.821 1.00 0.00 C0 ATOM 949 O TYR A 62 6.025 3.951 -16.804 1.00 0.00 O0 ATOM 950 CB TYR A 62 3.808 2.459 -18.713 1.00 0.00 C0 ATOM 951 CG TYR A 62 3.593 1.902 -20.102 1.00 0.00 C0 ATOM 952 CD1 TYR A 62 4.677 1.470 -20.853 1.00 0.00 C0 ATOM 953 CD2 TYR A 62 2.311 1.823 -20.627 1.00 0.00 C0 ATOM 954 CE1 TYR A 62 4.481 0.962 -22.122 1.00 0.00 C0 ATOM 955 CE2 TYR A 62 2.115 1.315 -21.897 1.00 0.00 C0 ATOM 956 CZ TYR A 62 3.194 0.886 -22.642 1.00 0.00 C0 ATOM 957 OH TYR A 62 2.999 0.380 -23.908 1.00 0.00 O0 ATOM 0 H TYR A 62 4.451 0.170 -18.002 1.00 0.00 H new ATOM 0 HA TYR A 62 5.952 2.447 -18.826 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.036 2.067 -18.051 1.00 0.00 H new ATOM 0 HB3 TYR A 62 3.684 3.541 -18.742 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.675 1.531 -20.445 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.467 2.158 -20.043 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.324 0.625 -22.708 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.117 1.254 -22.306 1.00 0.00 H new ATOM 0 HH TYR A 62 2.043 0.394 -24.122 1.00 0.00 H new ATOM 967 N ILE A 63 4.857 2.354 -15.731 1.00 0.00 N0 ATOM 968 CA ILE A 63 5.065 2.930 -14.409 1.00 0.00 C0 ATOM 969 C ILE A 63 6.531 2.858 -14.000 1.00 0.00 C0 ATOM 970 O ILE A 63 7.079 3.810 -13.443 1.00 0.00 O0 ATOM 971 CB ILE A 63 4.203 2.214 -13.354 1.00 0.00 C0 ATOM 972 CG1 ILE A 63 2.717 2.487 -13.605 1.00 0.00 C0 ATOM 973 CG2 ILE A 63 4.600 2.653 -11.953 1.00 0.00 C0 ATOM 974 CD1 ILE A 63 2.341 3.949 -13.509 1.00 0.00 C0 ATOM 0 H ILE A 63 4.275 1.516 -15.738 1.00 0.00 H new ATOM 0 HA ILE A 63 4.766 3.977 -14.463 1.00 0.00 H new ATOM 0 HB ILE A 63 4.375 1.141 -13.437 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.451 2.117 -14.595 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.126 1.921 -12.884 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.980 2.136 -11.220 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.648 2.409 -11.778 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.457 3.729 -11.855 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.274 4.063 -13.699 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.574 4.320 -12.511 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.904 4.519 -14.248 1.00 0.00 H new ATOM 986 N GLU A 64 7.162 1.723 -14.280 1.00 0.00 N0 ATOM 987 CA GLU A 64 8.596 1.570 -14.062 1.00 0.00 C0 ATOM 988 C GLU A 64 9.386 2.612 -14.843 1.00 0.00 C0 ATOM 989 O GLU A 64 10.273 3.270 -14.297 1.00 0.00 O0 ATOM 990 CB GLU A 64 9.050 0.165 -14.465 1.00 0.00 C0 ATOM 991 CG GLU A 64 10.523 -0.118 -14.206 1.00 0.00 C0 ATOM 992 CD GLU A 64 10.930 -1.509 -14.608 1.00 0.00 C0 ATOM 993 OE1 GLU A 64 10.248 -2.099 -15.410 1.00 0.00 O0 ATOM 994 OE2 GLU A 64 11.926 -1.982 -14.110 1.00 0.00 O1- ATOM 0 H GLU A 64 6.703 0.895 -14.659 1.00 0.00 H new ATOM 0 HA GLU A 64 8.789 1.718 -12.999 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.451 -0.567 -13.923 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.846 0.021 -15.526 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.128 0.605 -14.753 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.735 0.025 -13.146 1.00 0.00 H new ATOM 1001 N HIS A 65 9.061 2.759 -16.122 1.00 0.00 N0 ATOM 1002 CA HIS A 65 9.694 3.766 -16.964 1.00 0.00 C0 ATOM 1003 C HIS A 65 9.588 5.152 -16.341 1.00 0.00 C0 ATOM 1004 O HIS A 65 10.574 5.883 -16.257 1.00 0.00 O0 ATOM 1005 CB HIS A 65 9.065 3.779 -18.361 1.00 0.00 C0 ATOM 1006 CG HIS A 65 9.583 4.871 -19.245 1.00 0.00 C0 ATOM 1007 ND1 HIS A 65 10.831 4.823 -19.831 1.00 0.00 N0 ATOM 1008 CD2 HIS A 65 9.024 6.037 -19.640 1.00 0.00 C0 ATOM 1009 CE1 HIS A 65 11.016 5.916 -20.551 1.00 0.00 C0 ATOM 1010 NE2 HIS A 65 9.935 6.669 -20.451 1.00 0.00 N0 ATOM 0 H HIS A 65 8.361 2.192 -16.599 1.00 0.00 H new ATOM 0 HA HIS A 65 10.748 3.504 -17.050 1.00 0.00 H new ATOM 0 HB2 HIS A 65 9.248 2.818 -18.841 1.00 0.00 H new ATOM 0 HB3 HIS A 65 7.985 3.885 -18.262 1.00 0.00 H new ATOM 0 HD2 HIS A 65 8.045 6.403 -19.369 1.00 0.00 H new ATOM 0 HE1 HIS A 65 11.900 6.153 -21.124 1.00 0.00 H new ATOM 0 HE2 HIS A 65 9.799 7.573 -20.903 1.00 0.00 H new ATOM 1018 N ILE A 66 8.384 5.507 -15.904 1.00 0.00 N0 ATOM 1019 CA ILE A 66 8.148 6.801 -15.275 1.00 0.00 C0 ATOM 1020 C ILE A 66 9.042 6.993 -14.056 1.00 0.00 C0 ATOM 1021 O ILE A 66 9.598 8.070 -13.846 1.00 0.00 O0 ATOM 1022 CB ILE A 66 6.673 6.949 -14.858 1.00 0.00 C0 ATOM 1023 CG1 ILE A 66 5.776 7.038 -16.096 1.00 0.00 C0 ATOM 1024 CG2 ILE A 66 6.490 8.173 -13.975 1.00 0.00 C0 ATOM 1025 CD1 ILE A 66 4.302 6.891 -15.793 1.00 0.00 C0 ATOM 0 H ILE A 66 7.556 4.916 -15.974 1.00 0.00 H new ATOM 0 HA ILE A 66 8.389 7.568 -16.011 1.00 0.00 H new ATOM 0 HB ILE A 66 6.384 6.068 -14.285 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.943 7.997 -16.586 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.071 6.263 -16.804 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.442 8.262 -13.690 1.00 0.00 H new ATOM 0 HG22 ILE A 66 7.102 8.070 -13.079 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.794 9.065 -14.522 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.731 6.965 -16.719 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.120 5.920 -15.331 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.990 7.682 -15.110 1.00 0.00 H new ATOM 1037 N PHE A 67 9.177 5.940 -13.256 1.00 0.00 N0 ATOM 1038 CA PHE A 67 10.025 5.983 -12.071 1.00 0.00 C0 ATOM 1039 C PHE A 67 11.492 6.139 -12.448 1.00 0.00 C0 ATOM 1040 O PHE A 67 12.256 6.802 -11.747 1.00 0.00 O0 ATOM 1041 CB PHE A 67 9.839 4.715 -11.236 1.00 0.00 C0 ATOM 1042 CG PHE A 67 8.490 4.609 -10.584 1.00 0.00 C0 ATOM 1043 CD1 PHE A 67 7.652 5.712 -10.509 1.00 0.00 C0 ATOM 1044 CD2 PHE A 67 8.056 3.409 -10.042 1.00 0.00 C0 ATOM 1045 CE1 PHE A 67 6.411 5.617 -9.910 1.00 0.00 C0 ATOM 1046 CE2 PHE A 67 6.816 3.311 -9.444 1.00 0.00 C0 ATOM 1047 CZ PHE A 67 5.992 4.417 -9.377 1.00 0.00 C0 ATOM 0 H PHE A 67 8.709 5.046 -13.407 1.00 0.00 H new ATOM 0 HA PHE A 67 9.727 6.850 -11.481 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.992 3.845 -11.875 1.00 0.00 H new ATOM 0 HB3 PHE A 67 10.608 4.684 -10.464 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.974 6.656 -10.924 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.696 2.540 -10.088 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.769 6.484 -9.859 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.490 2.369 -9.028 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.022 4.342 -8.908 1.00 0.00 H new ATOM 1057 N GLU A 68 11.880 5.523 -13.560 1.00 0.00 N0 ATOM 1058 CA GLU A 68 13.236 5.660 -14.078 1.00 0.00 C0 ATOM 1059 C GLU A 68 13.511 7.089 -14.531 1.00 0.00 C0 ATOM 1060 O GLU A 68 14.607 7.612 -14.334 1.00 0.00 O0 ATOM 1061 CB GLU A 68 13.463 4.693 -15.242 1.00 0.00 C0 ATOM 1062 CG GLU A 68 13.546 3.229 -14.834 1.00 0.00 C0 ATOM 1063 CD GLU A 68 13.702 2.303 -16.009 1.00 0.00 C0 ATOM 1064 OE1 GLU A 68 13.401 2.710 -17.106 1.00 0.00 O0 ATOM 1065 OE2 GLU A 68 14.122 1.187 -15.809 1.00 0.00 O1- ATOM 0 H GLU A 68 11.274 4.924 -14.120 1.00 0.00 H new ATOM 0 HA GLU A 68 13.927 5.417 -13.271 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.653 4.812 -15.961 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.386 4.968 -15.753 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.389 3.093 -14.156 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.646 2.959 -14.282 1.00 0.00 H new ATOM 1072 N ILE A 69 12.508 7.713 -15.140 1.00 0.00 N0 ATOM 1073 CA ILE A 69 12.615 9.107 -15.556 1.00 0.00 C0 ATOM 1074 C ILE A 69 12.778 10.029 -14.355 1.00 0.00 C0 ATOM 1075 O ILE A 69 13.579 10.964 -14.383 1.00 0.00 O0 ATOM 1076 CB ILE A 69 11.378 9.533 -16.367 1.00 0.00 C0 ATOM 1077 CG1 ILE A 69 11.318 8.770 -17.693 1.00 0.00 C0 ATOM 1078 CG2 ILE A 69 11.395 11.034 -16.615 1.00 0.00 C0 ATOM 1079 CD1 ILE A 69 12.510 9.014 -18.591 1.00 0.00 C0 ATOM 0 H ILE A 69 11.612 7.276 -15.356 1.00 0.00 H new ATOM 0 HA ILE A 69 13.501 9.192 -16.185 1.00 0.00 H new ATOM 0 HB ILE A 69 10.486 9.290 -15.789 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.244 7.703 -17.484 1.00 0.00 H new ATOM 0 HG13 ILE A 69 10.410 9.054 -18.225 1.00 0.00 H new ATOM 0 HG21 ILE A 69 10.513 11.318 -17.190 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.391 11.561 -15.661 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.293 11.300 -17.173 1.00 0.00 H new ATOM 0 HD11 ILE A 69 12.396 8.440 -19.511 1.00 0.00 H new ATOM 0 HD12 ILE A 69 12.574 10.075 -18.831 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.421 8.703 -18.079 1.00 0.00 H new ATOM 1091 N SER A 70 12.015 9.761 -13.301 1.00 0.00 N0 ATOM 1092 CA SER A 70 12.116 10.530 -12.067 1.00 0.00 C0 ATOM 1093 C SER A 70 13.390 10.186 -11.305 1.00 0.00 C0 ATOM 1094 O SER A 70 13.851 10.959 -10.465 1.00 0.00 O0 ATOM 1095 CB SER A 70 10.907 10.270 -11.189 1.00 0.00 C0 ATOM 1096 OG SER A 70 10.930 8.967 -10.675 1.00 0.00 O0 ATOM 0 H SER A 70 11.319 9.016 -13.277 1.00 0.00 H new ATOM 0 HA SER A 70 12.151 11.587 -12.332 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.888 10.988 -10.369 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.995 10.421 -11.766 1.00 0.00 H new ATOM 0 HG SER A 70 11.476 8.396 -11.255 1.00 0.00 H new ATOM 1102 N ARG A 71 13.956 9.021 -11.604 1.00 0.00 N0 ATOM 1103 CA ARG A 71 15.187 8.580 -10.961 1.00 0.00 C0 ATOM 1104 C ARG A 71 15.003 8.440 -9.455 1.00 0.00 C0 ATOM 1105 O ARG A 71 15.773 8.993 -8.671 1.00 0.00 O0 ATOM 1106 CB ARG A 71 16.318 9.560 -11.241 1.00 0.00 C0 ATOM 1107 CG ARG A 71 16.660 9.738 -12.712 1.00 0.00 C0 ATOM 1108 CD ARG A 71 17.815 10.653 -12.900 1.00 0.00 C0 ATOM 1109 NE ARG A 71 18.131 10.843 -14.306 1.00 0.00 N0 ATOM 1110 CZ ARG A 71 19.091 11.668 -14.769 1.00 0.00 C0 ATOM 1111 NH1 ARG A 71 19.817 12.370 -13.927 1.00 0.00 N1+ ATOM 1112 NH2 ARG A 71 19.303 11.772 -16.070 1.00 0.00 N0 ATOM 0 H ARG A 71 13.580 8.365 -12.289 1.00 0.00 H new ATOM 0 HA ARG A 71 15.441 7.605 -11.376 1.00 0.00 H new ATOM 0 HB2 ARG A 71 16.049 10.531 -10.825 1.00 0.00 H new ATOM 0 HB3 ARG A 71 17.210 9.223 -10.713 1.00 0.00 H new ATOM 0 HG2 ARG A 71 16.889 8.768 -13.153 1.00 0.00 H new ATOM 0 HG3 ARG A 71 15.793 10.132 -13.242 1.00 0.00 H new ATOM 0 HD2 ARG A 71 17.592 11.618 -12.444 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.686 10.250 -12.383 1.00 0.00 H new ATOM 0 HE ARG A 71 17.588 10.315 -14.990 1.00 0.00 H new ATOM 0 HH11 ARG A 71 19.654 12.290 -12.923 1.00 0.00 H new ATOM 0 HH12 ARG A 71 20.543 12.994 -14.278 1.00 0.00 H new ATOM 0 HH21 ARG A 71 18.740 11.228 -16.724 1.00 0.00 H new ATOM 0 HH22 ARG A 71 20.030 12.396 -16.420 1.00 0.00 H new ATOM 1126 N ARG A 72 13.977 7.694 -9.057 1.00 0.00 N0 ATOM 1127 CA ARG A 72 13.676 7.499 -7.644 1.00 0.00 C0 ATOM 1128 C ARG A 72 13.794 6.031 -7.253 1.00 0.00 C0 ATOM 1129 O ARG A 72 12.886 5.237 -7.502 1.00 0.00 O0 ATOM 1130 CB ARG A 72 12.273 7.995 -7.322 1.00 0.00 C0 ATOM 1131 CG ARG A 72 11.873 7.876 -5.861 1.00 0.00 C0 ATOM 1132 CD ARG A 72 12.511 8.929 -5.029 1.00 0.00 C0 ATOM 1133 NE ARG A 72 12.127 8.822 -3.631 1.00 0.00 N0 ATOM 1134 CZ ARG A 72 11.010 9.357 -3.101 1.00 0.00 C0 ATOM 1135 NH1 ARG A 72 10.178 10.032 -3.865 1.00 0.00 N1+ ATOM 1136 NH2 ARG A 72 10.749 9.204 -1.815 1.00 0.00 N0 ATOM 0 H ARG A 72 13.340 7.215 -9.694 1.00 0.00 H new ATOM 0 HA ARG A 72 14.404 8.074 -7.072 1.00 0.00 H new ATOM 0 HB2 ARG A 72 12.195 9.040 -7.621 1.00 0.00 H new ATOM 0 HB3 ARG A 72 11.558 7.436 -7.926 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.789 7.950 -5.773 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.157 6.893 -5.485 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.595 8.852 -5.115 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.230 9.911 -5.409 1.00 0.00 H new ATOM 0 HE ARG A 72 12.747 8.305 -3.007 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.379 10.150 -4.858 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.332 10.437 -3.464 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.393 8.680 -1.223 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.903 9.609 -1.415 1.00 0.00 H new ATOM 1150 N PRO A 73 14.918 5.676 -6.640 1.00 0.00 N0 ATOM 1151 CA PRO A 73 15.176 4.294 -6.255 1.00 0.00 C0 ATOM 1152 C PRO A 73 14.058 3.749 -5.376 1.00 0.00 C0 ATOM 1153 O PRO A 73 13.729 2.565 -5.437 1.00 0.00 O0 ATOM 1154 CB PRO A 73 16.500 4.391 -5.489 1.00 0.00 C0 ATOM 1155 CG PRO A 73 17.189 5.564 -6.099 1.00 0.00 C0 ATOM 1156 CD PRO A 73 16.083 6.550 -6.367 1.00 0.00 C0 ATOM 0 HA PRO A 73 15.225 3.612 -7.104 1.00 0.00 H new ATOM 0 HB2 PRO A 73 16.333 4.538 -4.422 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.091 3.481 -5.597 1.00 0.00 H new ATOM 0 HG2 PRO A 73 17.938 5.980 -5.425 1.00 0.00 H new ATOM 0 HG3 PRO A 73 17.706 5.288 -7.018 1.00 0.00 H new ATOM 0 HD2 PRO A 73 15.907 7.202 -5.511 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.313 7.194 -7.216 1.00 0.00 H new ATOM 1164 N ASP A 74 13.478 4.620 -4.558 1.00 0.00 N0 ATOM 1165 CA ASP A 74 12.401 4.226 -3.657 1.00 0.00 C0 ATOM 1166 C ASP A 74 11.211 3.671 -4.430 1.00 0.00 C0 ATOM 1167 O ASP A 74 10.710 2.589 -4.124 1.00 0.00 O0 ATOM 1168 CB ASP A 74 11.952 5.415 -2.805 1.00 0.00 C0 ATOM 1169 CG ASP A 74 13.001 5.845 -1.787 1.00 0.00 C0 ATOM 1170 OD1 ASP A 74 13.841 5.043 -1.456 1.00 0.00 O0 ATOM 1171 OD2 ASP A 74 12.951 6.970 -1.353 1.00 0.00 O1- ATOM 0 H ASP A 74 13.736 5.605 -4.500 1.00 0.00 H new ATOM 0 HA ASP A 74 12.787 3.442 -3.005 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.720 6.256 -3.458 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.032 5.154 -2.283 1.00 0.00 H new ATOM 1176 N LEU A 75 10.765 4.417 -5.436 1.00 0.00 N0 ATOM 1177 CA LEU A 75 9.622 4.008 -6.244 1.00 0.00 C0 ATOM 1178 C LEU A 75 9.991 2.864 -7.179 1.00 0.00 C0 ATOM 1179 O LEU A 75 9.171 1.991 -7.461 1.00 0.00 O0 ATOM 1180 CB LEU A 75 9.099 5.196 -7.060 1.00 0.00 C0 ATOM 1181 CG LEU A 75 8.442 6.322 -6.251 1.00 0.00 C0 ATOM 1182 CD1 LEU A 75 8.165 7.508 -7.164 1.00 0.00 C0 ATOM 1183 CD2 LEU A 75 7.159 5.808 -5.615 1.00 0.00 C0 ATOM 0 H LEU A 75 11.178 5.308 -5.711 1.00 0.00 H new ATOM 0 HA LEU A 75 8.840 3.661 -5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.929 5.618 -7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.375 4.824 -7.785 1.00 0.00 H new ATOM 0 HG LEU A 75 9.112 6.650 -5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.698 8.308 -6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.102 7.866 -7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.496 7.200 -7.967 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.692 6.608 -5.040 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.475 5.474 -6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.390 4.973 -4.954 1.00 0.00 H new ATOM 1195 N LEU A 76 11.230 2.874 -7.658 1.00 0.00 N0 ATOM 1196 CA LEU A 76 11.741 1.786 -8.485 1.00 0.00 C0 ATOM 1197 C LEU A 76 11.752 0.471 -7.718 1.00 0.00 C0 ATOM 1198 O LEU A 76 11.420 -0.581 -8.265 1.00 0.00 O0 ATOM 1199 CB LEU A 76 13.157 2.113 -8.973 1.00 0.00 C0 ATOM 1200 CG LEU A 76 13.256 3.200 -10.050 1.00 0.00 C0 ATOM 1201 CD1 LEU A 76 14.714 3.595 -10.242 1.00 0.00 C0 ATOM 1202 CD2 LEU A 76 12.654 2.685 -11.349 1.00 0.00 C0 ATOM 0 H LEU A 76 11.900 3.624 -7.488 1.00 0.00 H new ATOM 0 HA LEU A 76 11.078 1.677 -9.344 1.00 0.00 H new ATOM 0 HB2 LEU A 76 13.754 2.422 -8.115 1.00 0.00 H new ATOM 0 HB3 LEU A 76 13.607 1.200 -9.362 1.00 0.00 H new ATOM 0 HG LEU A 76 12.698 4.083 -9.739 1.00 0.00 H new ATOM 0 HD11 LEU A 76 14.784 4.368 -11.008 1.00 0.00 H new ATOM 0 HD12 LEU A 76 15.114 3.977 -9.303 1.00 0.00 H new ATOM 0 HD13 LEU A 76 15.289 2.723 -10.553 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.725 3.458 -12.114 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.199 1.799 -11.676 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.607 2.428 -11.188 1.00 0.00 H new ATOM 1214 N THR A 77 12.135 0.535 -6.447 1.00 0.00 N0 ATOM 1215 CA THR A 77 12.097 -0.633 -5.575 1.00 0.00 C0 ATOM 1216 C THR A 77 10.686 -1.199 -5.474 1.00 0.00 C0 ATOM 1217 O THR A 77 10.492 -2.414 -5.497 1.00 0.00 O0 ATOM 1218 CB THR A 77 12.620 -0.291 -4.167 1.00 0.00 C0 ATOM 1219 OG1 THR A 77 13.984 0.140 -4.252 1.00 0.00 O0 ATOM 1220 CG2 THR A 77 12.530 -1.506 -3.256 1.00 0.00 C0 ATOM 0 H THR A 77 12.476 1.385 -5.998 1.00 0.00 H new ATOM 0 HA THR A 77 12.746 -1.388 -6.018 1.00 0.00 H new ATOM 0 HB THR A 77 12.006 0.508 -3.751 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.022 1.024 -4.674 1.00 0.00 H new ATOM 0 HG21 THR A 77 12.904 -1.247 -2.265 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.491 -1.827 -3.179 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.131 -2.316 -3.670 1.00 0.00 H new ATOM 1228 N MET A 78 9.705 -0.311 -5.363 1.00 0.00 N0 ATOM 1229 CA MET A 78 8.313 -0.721 -5.223 1.00 0.00 C0 ATOM 1230 C MET A 78 7.849 -1.516 -6.437 1.00 0.00 C0 ATOM 1231 O MET A 78 7.324 -2.622 -6.303 1.00 0.00 O0 ATOM 1232 CB MET A 78 7.421 0.501 -5.014 1.00 0.00 C0 ATOM 1233 CG MET A 78 7.629 1.212 -3.685 1.00 0.00 C0 ATOM 1234 SD MET A 78 6.612 2.693 -3.522 1.00 0.00 S0 ATOM 1235 CE MET A 78 7.400 3.494 -2.127 1.00 0.00 C0 ATOM 0 H MET A 78 9.848 0.699 -5.367 1.00 0.00 H new ATOM 0 HA MET A 78 8.236 -1.368 -4.349 1.00 0.00 H new ATOM 0 HB2 MET A 78 7.601 1.209 -5.823 1.00 0.00 H new ATOM 0 HB3 MET A 78 6.378 0.191 -5.087 1.00 0.00 H new ATOM 0 HG2 MET A 78 7.398 0.526 -2.870 1.00 0.00 H new ATOM 0 HG3 MET A 78 8.680 1.484 -3.584 1.00 0.00 H new ATOM 0 HE1 MET A 78 6.883 4.427 -1.904 1.00 0.00 H new ATOM 0 HE2 MET A 78 7.356 2.838 -1.258 1.00 0.00 H new ATOM 0 HE3 MET A 78 8.441 3.705 -2.369 1.00 0.00 H new ATOM 1245 N VAL A 79 8.046 -0.947 -7.621 1.00 0.00 N0 ATOM 1246 CA VAL A 79 7.500 -1.520 -8.846 1.00 0.00 C0 ATOM 1247 C VAL A 79 8.231 -2.800 -9.230 1.00 0.00 C0 ATOM 1248 O VAL A 79 7.649 -3.702 -9.832 1.00 0.00 O0 ATOM 1249 CB VAL A 79 7.606 -0.508 -10.002 1.00 0.00 C0 ATOM 1250 CG1 VAL A 79 9.048 -0.381 -10.470 1.00 0.00 C0 ATOM 1251 CG2 VAL A 79 6.702 -0.934 -11.149 1.00 0.00 C0 ATOM 0 H VAL A 79 8.580 -0.089 -7.759 1.00 0.00 H new ATOM 0 HA VAL A 79 6.452 -1.758 -8.661 1.00 0.00 H new ATOM 0 HB VAL A 79 7.280 0.469 -9.646 1.00 0.00 H new ATOM 0 HG11 VAL A 79 9.103 0.338 -11.287 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.670 -0.039 -9.643 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.405 -1.351 -10.816 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.783 -0.213 -11.963 1.00 0.00 H new ATOM 0 HG22 VAL A 79 7.005 -1.919 -11.505 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.669 -0.976 -10.802 1.00 0.00 H new ATOM 1261 N VAL A 80 9.509 -2.875 -8.875 1.00 0.00 N0 ATOM 1262 CA VAL A 80 10.296 -4.083 -9.093 1.00 0.00 C0 ATOM 1263 C VAL A 80 9.898 -5.183 -8.117 1.00 0.00 C0 ATOM 1264 O VAL A 80 9.723 -6.337 -8.505 1.00 0.00 O0 ATOM 1265 CB VAL A 80 11.798 -3.779 -8.935 1.00 0.00 C0 ATOM 1266 CG1 VAL A 80 12.602 -5.071 -8.904 1.00 0.00 C0 ATOM 1267 CG2 VAL A 80 12.266 -2.879 -10.067 1.00 0.00 C0 ATOM 0 H VAL A 80 10.023 -2.112 -8.434 1.00 0.00 H new ATOM 0 HA VAL A 80 10.098 -4.428 -10.108 1.00 0.00 H new ATOM 0 HB VAL A 80 11.957 -3.260 -7.990 1.00 0.00 H new ATOM 0 HG11 VAL A 80 13.661 -4.838 -8.792 1.00 0.00 H new ATOM 0 HG12 VAL A 80 12.274 -5.683 -8.064 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.447 -5.618 -9.834 1.00 0.00 H new ATOM 0 HG21 VAL A 80 13.329 -2.668 -9.949 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.099 -3.378 -11.021 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.706 -1.944 -10.044 1.00 0.00 H new ATOM 1277 N ASP A 81 9.754 -4.817 -6.848 1.00 0.00 N0 ATOM 1278 CA ASP A 81 9.302 -5.754 -5.826 1.00 0.00 C0 ATOM 1279 C ASP A 81 7.965 -6.378 -6.204 1.00 0.00 C0 ATOM 1280 O ASP A 81 7.772 -7.586 -6.068 1.00 0.00 O0 ATOM 1281 CB ASP A 81 9.180 -5.053 -4.471 1.00 0.00 C0 ATOM 1282 CG ASP A 81 8.871 -6.015 -3.332 1.00 0.00 C0 ATOM 1283 OD1 ASP A 81 9.744 -6.764 -2.960 1.00 0.00 O0 ATOM 1284 OD2 ASP A 81 7.766 -5.993 -2.845 1.00 0.00 O1- ATOM 0 H ASP A 81 9.944 -3.876 -6.502 1.00 0.00 H new ATOM 0 HA ASP A 81 10.046 -6.547 -5.753 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.110 -4.528 -4.254 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.394 -4.300 -4.527 1.00 0.00 H new ATOM 1289 N TYR A 82 7.043 -5.547 -6.679 1.00 0.00 N0 ATOM 1290 CA TYR A 82 5.740 -6.023 -7.127 1.00 0.00 C0 ATOM 1291 C TYR A 82 5.884 -7.077 -8.218 1.00 0.00 C0 ATOM 1292 O TYR A 82 5.332 -8.173 -8.112 1.00 0.00 O0 ATOM 1293 CB TYR A 82 4.886 -4.856 -7.627 1.00 0.00 C0 ATOM 1294 CG TYR A 82 3.576 -5.282 -8.252 1.00 0.00 C0 ATOM 1295 CD1 TYR A 82 2.476 -5.542 -7.447 1.00 0.00 C0 ATOM 1296 CD2 TYR A 82 3.474 -5.412 -9.628 1.00 0.00 C0 ATOM 1297 CE1 TYR A 82 1.279 -5.930 -8.017 1.00 0.00 C0 ATOM 1298 CE2 TYR A 82 2.278 -5.801 -10.198 1.00 0.00 C0 ATOM 1299 CZ TYR A 82 1.183 -6.059 -9.399 1.00 0.00 C0 ATOM 1300 OH TYR A 82 -0.009 -6.446 -9.966 1.00 0.00 O0 ATOM 0 H TYR A 82 7.175 -4.539 -6.764 1.00 0.00 H new ATOM 0 HA TYR A 82 5.241 -6.484 -6.274 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.679 -4.186 -6.793 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.459 -4.286 -8.359 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.556 -5.441 -6.375 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.330 -5.209 -10.254 1.00 0.00 H new ATOM 0 HE1 TYR A 82 0.421 -6.132 -7.393 1.00 0.00 H new ATOM 0 HE2 TYR A 82 2.200 -5.903 -11.270 1.00 0.00 H new ATOM 0 HH TYR A 82 -0.204 -5.875 -10.738 1.00 0.00 H new ATOM 1310 N ARG A 83 6.628 -6.740 -9.266 1.00 0.00 N0 ATOM 1311 CA ARG A 83 6.779 -7.625 -10.413 1.00 0.00 C0 ATOM 1312 C ARG A 83 7.378 -8.964 -10.003 1.00 0.00 C0 ATOM 1313 O ARG A 83 6.912 -10.021 -10.427 1.00 0.00 O0 ATOM 1314 CB ARG A 83 7.662 -6.981 -11.473 1.00 0.00 C0 ATOM 1315 CG ARG A 83 7.923 -7.843 -12.698 1.00 0.00 C0 ATOM 1316 CD ARG A 83 8.526 -7.057 -13.804 1.00 0.00 C0 ATOM 1317 NE ARG A 83 9.803 -6.475 -13.421 1.00 0.00 N0 ATOM 1318 CZ ARG A 83 10.314 -5.342 -13.941 1.00 0.00 C0 ATOM 1319 NH1 ARG A 83 9.648 -4.683 -14.863 1.00 0.00 N1+ ATOM 1320 NH2 ARG A 83 11.486 -4.893 -13.526 1.00 0.00 N0 ATOM 0 H ARG A 83 7.136 -5.859 -9.344 1.00 0.00 H new ATOM 0 HA ARG A 83 5.785 -7.798 -10.825 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.198 -6.049 -11.795 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.618 -6.721 -11.019 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.588 -8.664 -12.430 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.987 -8.288 -13.036 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.666 -7.700 -14.673 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.840 -6.264 -14.102 1.00 0.00 H new ATOM 0 HE ARG A 83 10.350 -6.959 -12.709 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.744 -5.029 -15.185 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.035 -3.825 -15.257 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.004 -5.404 -12.812 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.872 -4.035 -13.920 1.00 0.00 H new ATOM 1334 N THR A 84 8.416 -8.912 -9.175 1.00 0.00 N0 ATOM 1335 CA THR A 84 9.128 -10.117 -8.763 1.00 0.00 C0 ATOM 1336 C THR A 84 8.338 -10.896 -7.721 1.00 0.00 C0 ATOM 1337 O THR A 84 8.482 -12.113 -7.601 1.00 0.00 O0 ATOM 1338 CB THR A 84 10.522 -9.772 -8.204 1.00 0.00 C0 ATOM 1339 OG1 THR A 84 10.383 -8.906 -7.070 1.00 0.00 O0 ATOM 1340 CG2 THR A 84 11.367 -9.082 -9.264 1.00 0.00 C0 ATOM 0 H THR A 84 8.783 -8.048 -8.776 1.00 0.00 H new ATOM 0 HA THR A 84 9.247 -10.740 -9.649 1.00 0.00 H new ATOM 0 HB THR A 84 11.017 -10.697 -7.906 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.194 -7.994 -7.376 1.00 0.00 H new ATOM 0 HG21 THR A 84 12.348 -8.846 -8.851 1.00 0.00 H new ATOM 0 HG22 THR A 84 11.484 -9.743 -10.123 1.00 0.00 H new ATOM 0 HG23 THR A 84 10.875 -8.162 -9.579 1.00 0.00 H new ATOM 1348 N ARG A 85 7.500 -10.189 -6.970 1.00 0.00 N0 ATOM 1349 CA ARG A 85 6.630 -10.823 -5.988 1.00 0.00 C0 ATOM 1350 C ARG A 85 5.515 -11.609 -6.665 1.00 0.00 C0 ATOM 1351 O ARG A 85 5.232 -12.748 -6.295 1.00 0.00 O0 ATOM 1352 CB ARG A 85 6.021 -9.782 -5.060 1.00 0.00 C0 ATOM 1353 CG ARG A 85 5.200 -10.349 -3.913 1.00 0.00 C0 ATOM 1354 CD ARG A 85 4.694 -9.278 -3.017 1.00 0.00 C0 ATOM 1355 NE ARG A 85 5.777 -8.526 -2.405 1.00 0.00 N0 ATOM 1356 CZ ARG A 85 6.429 -8.897 -1.286 1.00 0.00 C0 ATOM 1357 NH1 ARG A 85 6.096 -10.008 -0.668 1.00 0.00 N1+ ATOM 1358 NH2 ARG A 85 7.403 -8.141 -0.807 1.00 0.00 N0 ATOM 0 H ARG A 85 7.405 -9.175 -7.023 1.00 0.00 H new ATOM 0 HA ARG A 85 7.242 -11.513 -5.406 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.824 -9.172 -4.646 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.387 -9.119 -5.648 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.359 -10.916 -4.313 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.810 -11.046 -3.338 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.057 -8.600 -3.585 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.073 -9.720 -2.238 1.00 0.00 H new ATOM 0 HE ARG A 85 6.063 -7.656 -2.854 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.343 -10.590 -1.036 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.590 -10.288 0.179 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.660 -7.277 -1.285 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.897 -8.422 0.040 1.00 0.00 H new ATOM 1372 N VAL A 86 4.885 -10.994 -7.660 1.00 0.00 N0 ATOM 1373 CA VAL A 86 3.771 -11.617 -8.364 1.00 0.00 C0 ATOM 1374 C VAL A 86 4.251 -12.754 -9.258 1.00 0.00 C0 ATOM 1375 O VAL A 86 3.668 -13.838 -9.269 1.00 0.00 O0 ATOM 1376 CB VAL A 86 3.027 -10.575 -9.219 1.00 0.00 C0 ATOM 1377 CG1 VAL A 86 1.992 -11.252 -10.104 1.00 0.00 C0 ATOM 1378 CG2 VAL A 86 2.374 -9.539 -8.319 1.00 0.00 C0 ATOM 0 H VAL A 86 5.128 -10.063 -7.997 1.00 0.00 H new ATOM 0 HA VAL A 86 3.093 -12.024 -7.614 1.00 0.00 H new ATOM 0 HB VAL A 86 3.745 -10.071 -9.866 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.476 -10.500 -10.701 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.488 -11.963 -10.765 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.269 -11.779 -9.481 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.849 -8.805 -8.930 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.664 -10.031 -7.654 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.139 -9.037 -7.727 1.00 0.00 H new ATOM 1388 N LEU A 87 5.320 -12.500 -10.006 1.00 0.00 N0 ATOM 1389 CA LEU A 87 5.827 -13.467 -10.972 1.00 0.00 C0 ATOM 1390 C LEU A 87 6.774 -14.461 -10.312 1.00 0.00 C0 ATOM 1391 O LEU A 87 7.203 -15.432 -10.933 1.00 0.00 O0 ATOM 1392 CB LEU A 87 6.549 -12.746 -12.116 1.00 0.00 C0 ATOM 1393 CG LEU A 87 5.684 -11.798 -12.957 1.00 0.00 C0 ATOM 1394 CD1 LEU A 87 6.555 -11.097 -13.991 1.00 0.00 C0 ATOM 1395 CD2 LEU A 87 4.569 -12.588 -13.627 1.00 0.00 C0 ATOM 0 H LEU A 87 5.852 -11.631 -9.961 1.00 0.00 H new ATOM 0 HA LEU A 87 4.975 -14.017 -11.372 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.377 -12.176 -11.696 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.982 -13.496 -12.778 1.00 0.00 H new ATOM 0 HG LEU A 87 5.232 -11.040 -12.317 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.940 -10.424 -14.588 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.332 -10.525 -13.484 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.017 -11.840 -14.642 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.954 -11.915 -14.224 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.002 -13.353 -14.272 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.951 -13.063 -12.865 1.00 0.00 H new