USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 627 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 106 CYS SG : rot 94:sc= 0.537 USER MOD Set 1.2: A 133 GLN : amide:sc= -0.0391 K(o=0.5,f=-0.58) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 163:sc= -0.0604 (180deg=-0.408) USER MOD Single : A 60 GLN : amide:sc= -0.821 K(o=-0.82,f=-3.8!) USER MOD Single : A 61 GLN : amide:sc= -0.937 X(o=-0.94,f=-0.69) USER MOD Single : A 67 LYS NZ :NH3+ 167:sc= -0.0228 (180deg=-0.229) USER MOD Single : A 71 GLN : amide:sc= -0.0494 X(o=-0.049,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-3) USER MOD Single : A 82 MET CE :methyl 164:sc= -1.47 (180deg=-2.14!) USER MOD Single : A 86 ASN : amide:sc= 0.302 X(o=0.3,f=0) USER MOD Single : A 89 SER OG : rot -58:sc= 0.162 USER MOD Single : A 91 LYS NZ :NH3+ 169:sc=-0.00553 (180deg=-0.144) USER MOD Single : A 96 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.099) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 CYS SG : rot 43:sc= -1.18! USER MOD Single : A 100 MET CE :methyl -126:sc= -0.106 (180deg=-0.357) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 114:sc= 0.00642 USER MOD Single : A 128 HIS : no HD1:sc= -0.208 X(o=-0.21,f=0.0075) USER MOD ----------------------------------------------------------------- ATOM 413 N GLY A 55 5.943 -6.972 6.914 1.00 0.00 N ATOM 414 CA GLY A 55 6.543 -7.641 5.770 1.00 0.00 C ATOM 415 C GLY A 55 7.119 -6.664 4.748 1.00 0.00 C ATOM 416 O GLY A 55 7.678 -7.082 3.735 1.00 0.00 O ATOM 0 HA2 GLY A 55 7.335 -8.305 6.117 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.793 -8.266 5.286 1.00 0.00 H new ATOM 420 N PHE A 56 6.987 -5.361 5.023 1.00 0.00 N ATOM 421 CA PHE A 56 7.499 -4.330 4.129 1.00 0.00 C ATOM 422 C PHE A 56 8.886 -3.883 4.575 1.00 0.00 C ATOM 423 O PHE A 56 9.795 -3.764 3.758 1.00 0.00 O ATOM 424 CB PHE A 56 6.550 -3.127 4.076 1.00 0.00 C ATOM 425 CG PHE A 56 6.936 -2.096 3.046 1.00 0.00 C ATOM 426 CD1 PHE A 56 7.468 -2.478 1.823 1.00 0.00 C ATOM 427 CD2 PHE A 56 6.770 -0.744 3.304 1.00 0.00 C ATOM 428 CE1 PHE A 56 7.826 -1.534 0.880 1.00 0.00 C ATOM 429 CE2 PHE A 56 7.126 0.205 2.363 1.00 0.00 C ATOM 430 CZ PHE A 56 7.655 -0.191 1.151 1.00 0.00 C ATOM 0 H PHE A 56 6.529 -5.001 5.860 1.00 0.00 H new ATOM 0 HA PHE A 56 7.568 -4.756 3.128 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.541 -3.480 3.863 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.522 -2.654 5.058 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.604 -3.527 1.605 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.358 -0.428 4.251 1.00 0.00 H new ATOM 0 HE1 PHE A 56 8.239 -1.846 -0.068 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.990 1.255 2.576 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.935 0.549 0.416 1.00 0.00 H new ATOM 440 N THR A 57 9.041 -3.651 5.881 1.00 0.00 N ATOM 441 CA THR A 57 10.320 -3.221 6.444 1.00 0.00 C ATOM 442 C THR A 57 11.430 -4.224 6.128 1.00 0.00 C ATOM 443 O THR A 57 12.569 -3.833 5.868 1.00 0.00 O ATOM 444 CB THR A 57 10.224 -3.021 7.971 1.00 0.00 C ATOM 445 OG1 THR A 57 9.227 -2.039 8.276 1.00 0.00 O ATOM 446 CG2 THR A 57 11.561 -2.586 8.553 1.00 0.00 C ATOM 0 H THR A 57 8.294 -3.754 6.568 1.00 0.00 H new ATOM 0 HA THR A 57 10.566 -2.266 5.981 1.00 0.00 H new ATOM 0 HB THR A 57 9.946 -3.976 8.418 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.172 -1.920 9.247 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.463 -2.453 9.630 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.312 -3.349 8.349 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.867 -1.644 8.097 1.00 0.00 H new ATOM 454 N LYS A 58 11.093 -5.515 6.146 1.00 0.00 N ATOM 455 CA LYS A 58 12.065 -6.566 5.842 1.00 0.00 C ATOM 456 C LYS A 58 12.559 -6.442 4.401 1.00 0.00 C ATOM 457 O LYS A 58 13.707 -6.768 4.099 1.00 0.00 O ATOM 458 CB LYS A 58 11.457 -7.955 6.065 1.00 0.00 C ATOM 459 CG LYS A 58 10.236 -8.238 5.202 1.00 0.00 C ATOM 460 CD LYS A 58 9.752 -9.669 5.376 1.00 0.00 C ATOM 461 CE LYS A 58 8.644 -10.017 4.389 1.00 0.00 C ATOM 462 NZ LYS A 58 9.088 -9.882 2.972 1.00 0.00 N ATOM 0 H LYS A 58 10.158 -5.857 6.367 1.00 0.00 H new ATOM 0 HA LYS A 58 12.911 -6.443 6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.216 -8.710 5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.180 -8.056 7.114 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.435 -7.547 5.465 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.480 -8.060 4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.588 -10.354 5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.388 -9.808 6.394 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.309 -11.039 4.567 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.787 -9.366 4.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.426 -10.390 2.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.107 -8.876 2.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.041 -10.285 2.867 1.00 0.00 H new ATOM 476 N GLU A 59 11.676 -5.979 3.518 1.00 0.00 N ATOM 477 CA GLU A 59 12.015 -5.793 2.114 1.00 0.00 C ATOM 478 C GLU A 59 12.725 -4.454 1.906 1.00 0.00 C ATOM 479 O GLU A 59 13.663 -4.360 1.113 1.00 0.00 O ATOM 480 CB GLU A 59 10.750 -5.849 1.257 1.00 0.00 C ATOM 481 CG GLU A 59 11.026 -5.913 -0.236 1.00 0.00 C ATOM 482 CD GLU A 59 11.703 -7.207 -0.649 1.00 0.00 C ATOM 483 OE1 GLU A 59 10.984 -8.177 -0.967 1.00 0.00 O ATOM 484 OE2 GLU A 59 12.952 -7.250 -0.651 1.00 0.00 O ATOM 0 H GLU A 59 10.717 -5.726 3.755 1.00 0.00 H new ATOM 0 HA GLU A 59 12.688 -6.596 1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.164 -6.721 1.547 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.140 -4.971 1.467 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.087 -5.809 -0.780 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.656 -5.070 -0.522 1.00 0.00 H new ATOM 491 N GLN A 60 12.263 -3.424 2.622 1.00 0.00 N ATOM 492 CA GLN A 60 12.845 -2.084 2.532 1.00 0.00 C ATOM 493 C GLN A 60 14.336 -2.088 2.871 1.00 0.00 C ATOM 494 O GLN A 60 15.080 -1.229 2.401 1.00 0.00 O ATOM 495 CB GLN A 60 12.104 -1.124 3.464 1.00 0.00 C ATOM 496 CG GLN A 60 10.659 -0.884 3.064 1.00 0.00 C ATOM 497 CD GLN A 60 9.924 0.012 4.040 1.00 0.00 C ATOM 498 OE1 GLN A 60 9.337 -0.462 5.013 1.00 0.00 O ATOM 499 NE2 GLN A 60 9.945 1.315 3.782 1.00 0.00 N ATOM 0 H GLN A 60 11.482 -3.495 3.274 1.00 0.00 H new ATOM 0 HA GLN A 60 12.738 -1.748 1.501 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.130 -1.522 4.478 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.631 -0.170 3.483 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.631 -0.434 2.072 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.142 -1.841 2.995 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.444 1.665 2.964 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.462 1.965 4.402 1.00 0.00 H new ATOM 508 N GLN A 61 14.766 -3.044 3.696 1.00 0.00 N ATOM 509 CA GLN A 61 16.175 -3.147 4.074 1.00 0.00 C ATOM 510 C GLN A 61 16.964 -3.943 3.033 1.00 0.00 C ATOM 511 O GLN A 61 18.133 -3.653 2.774 1.00 0.00 O ATOM 512 CB GLN A 61 16.318 -3.791 5.456 1.00 0.00 C ATOM 513 CG GLN A 61 15.925 -5.261 5.495 1.00 0.00 C ATOM 514 CD GLN A 61 16.088 -5.881 6.871 1.00 0.00 C ATOM 515 OE1 GLN A 61 16.934 -5.460 7.660 1.00 0.00 O ATOM 516 NE2 GLN A 61 15.283 -6.898 7.161 1.00 0.00 N ATOM 0 H GLN A 61 14.163 -3.753 4.112 1.00 0.00 H new ATOM 0 HA GLN A 61 16.586 -2.138 4.116 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.352 -3.693 5.787 1.00 0.00 H new ATOM 0 HB3 GLN A 61 15.702 -3.241 6.168 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.887 -5.363 5.177 1.00 0.00 H new ATOM 0 HG3 GLN A 61 16.533 -5.813 4.779 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.595 -7.215 6.478 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.353 -7.361 8.067 1.00 0.00 H new ATOM 525 N ARG A 62 16.316 -4.946 2.441 1.00 0.00 N ATOM 526 CA ARG A 62 16.947 -5.787 1.423 1.00 0.00 C ATOM 527 C ARG A 62 17.109 -5.040 0.097 1.00 0.00 C ATOM 528 O ARG A 62 18.077 -5.261 -0.631 1.00 0.00 O ATOM 529 CB ARG A 62 16.121 -7.056 1.206 1.00 0.00 C ATOM 530 CG ARG A 62 16.085 -7.970 2.419 1.00 0.00 C ATOM 531 CD ARG A 62 15.026 -9.052 2.274 1.00 0.00 C ATOM 532 NE ARG A 62 14.958 -9.912 3.456 1.00 0.00 N ATOM 533 CZ ARG A 62 13.876 -10.607 3.816 1.00 0.00 C ATOM 534 NH1 ARG A 62 12.757 -10.541 3.097 1.00 0.00 N ATOM 535 NH2 ARG A 62 13.911 -11.371 4.903 1.00 0.00 N ATOM 0 H ARG A 62 15.350 -5.197 2.650 1.00 0.00 H new ATOM 0 HA ARG A 62 17.941 -6.055 1.782 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.101 -6.776 0.942 1.00 0.00 H new ATOM 0 HB3 ARG A 62 16.530 -7.606 0.358 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.062 -8.433 2.556 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.884 -7.381 3.313 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.054 -8.588 2.106 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.245 -9.659 1.396 1.00 0.00 H new ATOM 0 HE ARG A 62 15.790 -9.985 4.042 1.00 0.00 H new ATOM 0 HH11 ARG A 62 12.721 -9.956 2.263 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.936 -11.076 3.381 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.763 -11.426 5.461 1.00 0.00 H new ATOM 0 HH22 ARG A 62 13.086 -11.903 5.180 1.00 0.00 H new ATOM 549 N LEU A 63 16.156 -4.156 -0.210 1.00 0.00 N ATOM 550 CA LEU A 63 16.180 -3.378 -1.448 1.00 0.00 C ATOM 551 C LEU A 63 16.669 -1.947 -1.208 1.00 0.00 C ATOM 552 O LEU A 63 17.282 -1.342 -2.090 1.00 0.00 O ATOM 553 CB LEU A 63 14.777 -3.336 -2.066 1.00 0.00 C ATOM 554 CG LEU A 63 14.096 -4.696 -2.238 1.00 0.00 C ATOM 555 CD1 LEU A 63 12.705 -4.525 -2.828 1.00 0.00 C ATOM 556 CD2 LEU A 63 14.938 -5.613 -3.113 1.00 0.00 C ATOM 0 H LEU A 63 15.353 -3.962 0.388 1.00 0.00 H new ATOM 0 HA LEU A 63 16.875 -3.867 -2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.142 -2.707 -1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 63 14.842 -2.855 -3.042 1.00 0.00 H new ATOM 0 HG LEU A 63 14.000 -5.156 -1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.236 -5.502 -2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.101 -3.909 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.780 -4.041 -3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.435 -6.574 -3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 63 15.070 -5.159 -4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 63 15.913 -5.764 -2.649 1.00 0.00 H new ATOM 568 N GLY A 64 16.397 -1.412 -0.015 1.00 0.00 N ATOM 569 CA GLY A 64 16.804 -0.051 0.307 1.00 0.00 C ATOM 570 C GLY A 64 15.663 0.951 0.175 1.00 0.00 C ATOM 571 O GLY A 64 15.846 2.139 0.447 1.00 0.00 O ATOM 0 H GLY A 64 15.902 -1.898 0.733 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.190 -0.023 1.326 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.620 0.245 -0.352 1.00 0.00 H new ATOM 575 N ILE A 65 14.485 0.471 -0.247 1.00 0.00 N ATOM 576 CA ILE A 65 13.309 1.325 -0.417 1.00 0.00 C ATOM 577 C ILE A 65 12.980 2.077 0.874 1.00 0.00 C ATOM 578 O ILE A 65 12.756 1.461 1.916 1.00 0.00 O ATOM 579 CB ILE A 65 12.067 0.511 -0.843 1.00 0.00 C ATOM 580 CG1 ILE A 65 12.371 -0.332 -2.086 1.00 0.00 C ATOM 581 CG2 ILE A 65 10.889 1.442 -1.106 1.00 0.00 C ATOM 582 CD1 ILE A 65 11.309 -1.367 -2.391 1.00 0.00 C ATOM 0 H ILE A 65 14.324 -0.510 -0.477 1.00 0.00 H new ATOM 0 HA ILE A 65 13.557 2.037 -1.204 1.00 0.00 H new ATOM 0 HB ILE A 65 11.803 -0.164 -0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.479 0.329 -2.946 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.328 -0.835 -1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.021 0.855 -1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.655 1.998 -0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.147 2.140 -1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.591 -1.926 -3.283 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.216 -2.052 -1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.354 -0.869 -2.561 1.00 0.00 H new ATOM 594 N PRO A 66 12.950 3.424 0.818 1.00 0.00 N ATOM 595 CA PRO A 66 12.640 4.262 1.982 1.00 0.00 C ATOM 596 C PRO A 66 11.185 4.119 2.427 1.00 0.00 C ATOM 597 O PRO A 66 10.402 3.401 1.801 1.00 0.00 O ATOM 598 CB PRO A 66 12.902 5.693 1.490 1.00 0.00 C ATOM 599 CG PRO A 66 13.654 5.547 0.209 1.00 0.00 C ATOM 600 CD PRO A 66 13.227 4.235 -0.376 1.00 0.00 C ATOM 0 HA PRO A 66 13.240 3.981 2.847 1.00 0.00 H new ATOM 0 HB2 PRO A 66 11.967 6.232 1.336 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.479 6.259 2.221 1.00 0.00 H new ATOM 0 HG2 PRO A 66 13.429 6.369 -0.471 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.730 5.564 0.384 1.00 0.00 H new ATOM 0 HD2 PRO A 66 12.345 4.341 -1.007 1.00 0.00 H new ATOM 0 HD3 PRO A 66 14.009 3.793 -0.993 1.00 0.00 H new ATOM 608 N LYS A 67 10.827 4.811 3.506 1.00 0.00 N ATOM 609 CA LYS A 67 9.463 4.767 4.031 1.00 0.00 C ATOM 610 C LYS A 67 8.730 6.090 3.773 1.00 0.00 C ATOM 611 O LYS A 67 7.861 6.492 4.549 1.00 0.00 O ATOM 612 CB LYS A 67 9.487 4.452 5.532 1.00 0.00 C ATOM 613 CG LYS A 67 10.289 5.448 6.361 1.00 0.00 C ATOM 614 CD LYS A 67 10.476 4.966 7.793 1.00 0.00 C ATOM 615 CE LYS A 67 11.311 3.694 7.858 1.00 0.00 C ATOM 616 NZ LYS A 67 12.680 3.889 7.301 1.00 0.00 N ATOM 0 H LYS A 67 11.462 5.409 4.034 1.00 0.00 H new ATOM 0 HA LYS A 67 8.921 3.976 3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.463 4.427 5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.904 3.455 5.677 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.264 5.604 5.899 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.780 6.412 6.365 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.959 5.748 8.379 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.501 4.784 8.245 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.386 3.363 8.894 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.806 2.901 7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.279 3.080 7.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.626 3.961 6.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.091 4.762 7.688 1.00 0.00 H new ATOM 630 N ASP A 68 9.077 6.749 2.664 1.00 0.00 N ATOM 631 CA ASP A 68 8.471 8.028 2.297 1.00 0.00 C ATOM 632 C ASP A 68 7.934 7.997 0.866 1.00 0.00 C ATOM 633 O ASP A 68 8.687 8.169 -0.094 1.00 0.00 O ATOM 634 CB ASP A 68 9.487 9.167 2.458 1.00 0.00 C ATOM 635 CG ASP A 68 10.918 8.730 2.192 1.00 0.00 C ATOM 636 OD1 ASP A 68 11.261 8.489 1.015 1.00 0.00 O ATOM 637 OD2 ASP A 68 11.694 8.622 3.164 1.00 0.00 O ATOM 0 H ASP A 68 9.778 6.414 2.003 1.00 0.00 H new ATOM 0 HA ASP A 68 7.631 8.205 2.969 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.228 9.977 1.776 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.418 9.568 3.469 1.00 0.00 H new ATOM 642 N PRO A 69 6.614 7.778 0.709 1.00 0.00 N ATOM 643 CA PRO A 69 5.963 7.727 -0.610 1.00 0.00 C ATOM 644 C PRO A 69 6.086 9.038 -1.385 1.00 0.00 C ATOM 645 O PRO A 69 6.056 9.036 -2.615 1.00 0.00 O ATOM 646 CB PRO A 69 4.493 7.436 -0.282 1.00 0.00 C ATOM 647 CG PRO A 69 4.506 6.890 1.104 1.00 0.00 C ATOM 648 CD PRO A 69 5.651 7.562 1.799 1.00 0.00 C ATOM 0 HA PRO A 69 6.427 6.978 -1.252 1.00 0.00 H new ATOM 0 HB2 PRO A 69 3.889 8.341 -0.344 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.067 6.720 -0.984 1.00 0.00 H new ATOM 0 HG2 PRO A 69 3.565 7.096 1.614 1.00 0.00 H new ATOM 0 HG3 PRO A 69 4.635 5.808 1.096 1.00 0.00 H new ATOM 0 HD2 PRO A 69 5.348 8.501 2.262 1.00 0.00 H new ATOM 0 HD3 PRO A 69 6.068 6.937 2.589 1.00 0.00 H new ATOM 656 N ARG A 70 6.218 10.156 -0.669 1.00 0.00 N ATOM 657 CA ARG A 70 6.363 11.463 -1.309 1.00 0.00 C ATOM 658 C ARG A 70 7.799 11.644 -1.799 1.00 0.00 C ATOM 659 O ARG A 70 8.034 12.205 -2.870 1.00 0.00 O ATOM 660 CB ARG A 70 5.990 12.599 -0.345 1.00 0.00 C ATOM 661 CG ARG A 70 4.709 12.356 0.444 1.00 0.00 C ATOM 662 CD ARG A 70 5.004 11.838 1.846 1.00 0.00 C ATOM 663 NE ARG A 70 5.756 12.808 2.644 1.00 0.00 N ATOM 664 CZ ARG A 70 6.784 12.496 3.441 1.00 0.00 C ATOM 665 NH1 ARG A 70 7.192 11.234 3.563 1.00 0.00 N ATOM 666 NH2 ARG A 70 7.408 13.452 4.122 1.00 0.00 N ATOM 0 H ARG A 70 6.227 10.182 0.351 1.00 0.00 H new ATOM 0 HA ARG A 70 5.681 11.504 -2.158 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.811 12.750 0.356 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.883 13.522 -0.914 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.140 13.284 0.510 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.085 11.637 -0.087 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.066 11.603 2.350 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.570 10.909 1.777 1.00 0.00 H new ATOM 0 HE ARG A 70 5.477 13.788 2.589 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.719 10.493 3.046 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.977 11.009 4.174 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.103 14.421 4.036 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.192 13.216 4.730 1.00 0.00 H new ATOM 680 N GLN A 71 8.753 11.160 -1.001 1.00 0.00 N ATOM 681 CA GLN A 71 10.171 11.236 -1.345 1.00 0.00 C ATOM 682 C GLN A 71 10.643 9.926 -1.988 1.00 0.00 C ATOM 683 O GLN A 71 11.754 9.457 -1.730 1.00 0.00 O ATOM 684 CB GLN A 71 11.002 11.540 -0.094 1.00 0.00 C ATOM 685 CG GLN A 71 10.556 12.789 0.651 1.00 0.00 C ATOM 686 CD GLN A 71 11.149 12.870 2.043 1.00 0.00 C ATOM 687 OE1 GLN A 71 12.210 13.461 2.246 1.00 0.00 O ATOM 688 NE2 GLN A 71 10.468 12.269 3.013 1.00 0.00 N ATOM 0 H GLN A 71 8.565 10.708 -0.106 1.00 0.00 H new ATOM 0 HA GLN A 71 10.308 12.042 -2.066 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.949 10.687 0.582 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.047 11.654 -0.382 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.847 13.672 0.082 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.468 12.799 0.721 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.593 11.790 2.801 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.821 12.286 3.970 1.00 0.00 H new ATOM 697 N TRP A 72 9.785 9.349 -2.833 1.00 0.00 N ATOM 698 CA TRP A 72 10.091 8.103 -3.531 1.00 0.00 C ATOM 699 C TRP A 72 10.364 8.375 -5.007 1.00 0.00 C ATOM 700 O TRP A 72 10.232 9.511 -5.471 1.00 0.00 O ATOM 701 CB TRP A 72 8.911 7.135 -3.410 1.00 0.00 C ATOM 702 CG TRP A 72 9.079 6.076 -2.366 1.00 0.00 C ATOM 703 CD1 TRP A 72 10.084 5.965 -1.447 1.00 0.00 C ATOM 704 CD2 TRP A 72 8.204 4.968 -2.139 1.00 0.00 C ATOM 705 NE1 TRP A 72 9.883 4.855 -0.664 1.00 0.00 N ATOM 706 CE2 TRP A 72 8.735 4.227 -1.070 1.00 0.00 C ATOM 707 CE3 TRP A 72 7.019 4.532 -2.740 1.00 0.00 C ATOM 708 CZ2 TRP A 72 8.123 3.074 -0.587 1.00 0.00 C ATOM 709 CZ3 TRP A 72 6.412 3.389 -2.260 1.00 0.00 C ATOM 710 CH2 TRP A 72 6.964 2.672 -1.192 1.00 0.00 C ATOM 0 H TRP A 72 8.865 9.731 -3.050 1.00 0.00 H new ATOM 0 HA TRP A 72 10.978 7.661 -3.077 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.010 7.707 -3.187 1.00 0.00 H new ATOM 0 HB3 TRP A 72 8.752 6.654 -4.375 1.00 0.00 H new ATOM 0 HD1 TRP A 72 10.914 6.649 -1.351 1.00 0.00 H new ATOM 0 HE1 TRP A 72 10.490 4.548 0.096 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.587 5.079 -3.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.548 2.517 0.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.496 3.042 -2.716 1.00 0.00 H new ATOM 0 HH2 TRP A 72 6.464 1.782 -0.838 1.00 0.00 H new ATOM 721 N THR A 73 10.746 7.335 -5.747 1.00 0.00 N ATOM 722 CA THR A 73 10.990 7.472 -7.179 1.00 0.00 C ATOM 723 C THR A 73 10.356 6.301 -7.936 1.00 0.00 C ATOM 724 O THR A 73 9.745 5.426 -7.322 1.00 0.00 O ATOM 725 CB THR A 73 12.500 7.570 -7.498 1.00 0.00 C ATOM 726 OG1 THR A 73 12.697 7.860 -8.888 1.00 0.00 O ATOM 727 CG2 THR A 73 13.221 6.278 -7.139 1.00 0.00 C ATOM 0 H THR A 73 10.892 6.395 -5.380 1.00 0.00 H new ATOM 0 HA THR A 73 10.527 8.403 -7.508 1.00 0.00 H new ATOM 0 HB THR A 73 12.916 8.378 -6.897 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.657 7.921 -9.077 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.281 6.375 -7.374 1.00 0.00 H new ATOM 0 HG22 THR A 73 13.102 6.079 -6.074 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.797 5.453 -7.712 1.00 0.00 H new ATOM 735 N GLU A 74 10.502 6.280 -9.262 1.00 0.00 N ATOM 736 CA GLU A 74 9.923 5.213 -10.083 1.00 0.00 C ATOM 737 C GLU A 74 10.284 3.825 -9.548 1.00 0.00 C ATOM 738 O GLU A 74 9.427 2.942 -9.480 1.00 0.00 O ATOM 739 CB GLU A 74 10.383 5.343 -11.537 1.00 0.00 C ATOM 740 CG GLU A 74 9.934 6.633 -12.206 1.00 0.00 C ATOM 741 CD GLU A 74 10.248 6.663 -13.689 1.00 0.00 C ATOM 742 OE1 GLU A 74 11.355 7.112 -14.054 1.00 0.00 O ATOM 743 OE2 GLU A 74 9.385 6.237 -14.486 1.00 0.00 O ATOM 0 H GLU A 74 11.014 6.987 -9.790 1.00 0.00 H new ATOM 0 HA GLU A 74 8.839 5.322 -10.036 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.471 5.286 -11.571 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.001 4.496 -12.107 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.860 6.757 -12.064 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.420 7.478 -11.719 1.00 0.00 H new ATOM 750 N THR A 75 11.550 3.639 -9.170 1.00 0.00 N ATOM 751 CA THR A 75 12.014 2.355 -8.650 1.00 0.00 C ATOM 752 C THR A 75 11.291 1.980 -7.354 1.00 0.00 C ATOM 753 O THR A 75 10.725 0.894 -7.248 1.00 0.00 O ATOM 754 CB THR A 75 13.536 2.361 -8.396 1.00 0.00 C ATOM 755 OG1 THR A 75 14.228 2.811 -9.569 1.00 0.00 O ATOM 756 CG2 THR A 75 14.032 0.972 -8.020 1.00 0.00 C ATOM 0 H THR A 75 12.270 4.361 -9.215 1.00 0.00 H new ATOM 0 HA THR A 75 11.785 1.612 -9.414 1.00 0.00 H new ATOM 0 HB THR A 75 13.737 3.040 -7.567 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.193 2.813 -9.399 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.108 1.004 -7.846 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.528 0.639 -7.113 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.816 0.277 -8.831 1.00 0.00 H new ATOM 764 N HIS A 76 11.311 2.890 -6.375 1.00 0.00 N ATOM 765 CA HIS A 76 10.658 2.648 -5.084 1.00 0.00 C ATOM 766 C HIS A 76 9.165 2.369 -5.262 1.00 0.00 C ATOM 767 O HIS A 76 8.606 1.495 -4.597 1.00 0.00 O ATOM 768 CB HIS A 76 10.860 3.837 -4.141 1.00 0.00 C ATOM 769 CG HIS A 76 12.299 4.121 -3.832 1.00 0.00 C ATOM 770 ND1 HIS A 76 12.793 5.395 -3.643 1.00 0.00 N ATOM 771 CD2 HIS A 76 13.355 3.285 -3.682 1.00 0.00 C ATOM 772 CE1 HIS A 76 14.088 5.330 -3.390 1.00 0.00 C ATOM 773 NE2 HIS A 76 14.452 4.062 -3.408 1.00 0.00 N ATOM 0 H HIS A 76 11.770 3.798 -6.451 1.00 0.00 H new ATOM 0 HA HIS A 76 11.122 1.766 -4.642 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.411 4.724 -4.587 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.328 3.645 -3.209 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.336 2.208 -3.763 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.738 6.171 -3.201 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.397 3.715 -3.244 1.00 0.00 H new ATOM 782 N VAL A 77 8.527 3.120 -6.161 1.00 0.00 N ATOM 783 CA VAL A 77 7.103 2.951 -6.447 1.00 0.00 C ATOM 784 C VAL A 77 6.829 1.560 -7.017 1.00 0.00 C ATOM 785 O VAL A 77 5.964 0.833 -6.529 1.00 0.00 O ATOM 786 CB VAL A 77 6.611 4.015 -7.455 1.00 0.00 C ATOM 787 CG1 VAL A 77 5.193 3.709 -7.921 1.00 0.00 C ATOM 788 CG2 VAL A 77 6.682 5.403 -6.834 1.00 0.00 C ATOM 0 H VAL A 77 8.978 3.855 -6.706 1.00 0.00 H new ATOM 0 HA VAL A 77 6.564 3.072 -5.508 1.00 0.00 H new ATOM 0 HB VAL A 77 7.265 3.989 -8.327 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.870 4.472 -8.629 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.172 2.732 -8.405 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.521 3.703 -7.063 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.333 6.142 -7.555 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.052 5.437 -5.945 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.712 5.625 -6.557 1.00 0.00 H new ATOM 798 N ARG A 78 7.592 1.205 -8.052 1.00 0.00 N ATOM 799 CA ARG A 78 7.463 -0.085 -8.724 1.00 0.00 C ATOM 800 C ARG A 78 7.813 -1.238 -7.786 1.00 0.00 C ATOM 801 O ARG A 78 7.020 -2.165 -7.617 1.00 0.00 O ATOM 802 CB ARG A 78 8.374 -0.115 -9.955 1.00 0.00 C ATOM 803 CG ARG A 78 8.435 -1.465 -10.648 1.00 0.00 C ATOM 804 CD ARG A 78 9.673 -1.580 -11.522 1.00 0.00 C ATOM 805 NE ARG A 78 10.906 -1.635 -10.734 1.00 0.00 N ATOM 806 CZ ARG A 78 12.130 -1.724 -11.265 1.00 0.00 C ATOM 807 NH1 ARG A 78 12.292 -1.768 -12.585 1.00 0.00 N ATOM 808 NH2 ARG A 78 13.195 -1.768 -10.471 1.00 0.00 N ATOM 0 H ARG A 78 8.316 1.805 -8.447 1.00 0.00 H new ATOM 0 HA ARG A 78 6.425 -0.209 -9.032 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.027 0.632 -10.669 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.382 0.174 -9.655 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.439 -2.260 -9.902 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.542 -1.604 -11.258 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.598 -2.476 -12.138 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.716 -0.729 -12.201 1.00 0.00 H new ATOM 0 HE ARG A 78 10.826 -1.603 -9.718 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.479 -1.734 -13.200 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.229 -1.836 -12.982 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.078 -1.734 -9.458 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.129 -1.836 -10.874 1.00 0.00 H new ATOM 822 N ASP A 79 8.999 -1.176 -7.182 1.00 0.00 N ATOM 823 CA ASP A 79 9.450 -2.223 -6.268 1.00 0.00 C ATOM 824 C ASP A 79 8.449 -2.440 -5.131 1.00 0.00 C ATOM 825 O ASP A 79 8.258 -3.569 -4.675 1.00 0.00 O ATOM 826 CB ASP A 79 10.834 -1.890 -5.706 1.00 0.00 C ATOM 827 CG ASP A 79 11.952 -2.271 -6.656 1.00 0.00 C ATOM 828 OD1 ASP A 79 12.157 -1.549 -7.654 1.00 0.00 O ATOM 829 OD2 ASP A 79 12.622 -3.295 -6.406 1.00 0.00 O ATOM 0 H ASP A 79 9.664 -0.413 -7.309 1.00 0.00 H new ATOM 0 HA ASP A 79 9.518 -3.151 -6.836 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.889 -0.822 -5.494 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.973 -2.411 -4.759 1.00 0.00 H new ATOM 834 N TRP A 80 7.812 -1.355 -4.679 1.00 0.00 N ATOM 835 CA TRP A 80 6.823 -1.456 -3.608 1.00 0.00 C ATOM 836 C TRP A 80 5.572 -2.161 -4.134 1.00 0.00 C ATOM 837 O TRP A 80 5.206 -3.228 -3.642 1.00 0.00 O ATOM 838 CB TRP A 80 6.478 -0.075 -3.037 1.00 0.00 C ATOM 839 CG TRP A 80 5.223 -0.065 -2.217 1.00 0.00 C ATOM 840 CD1 TRP A 80 5.036 -0.637 -0.991 1.00 0.00 C ATOM 841 CD2 TRP A 80 3.977 0.543 -2.572 1.00 0.00 C ATOM 842 NE1 TRP A 80 3.750 -0.422 -0.563 1.00 0.00 N ATOM 843 CE2 TRP A 80 3.080 0.301 -1.516 1.00 0.00 C ATOM 844 CE3 TRP A 80 3.535 1.271 -3.680 1.00 0.00 C ATOM 845 CZ2 TRP A 80 1.766 0.760 -1.536 1.00 0.00 C ATOM 846 CZ3 TRP A 80 2.231 1.725 -3.699 1.00 0.00 C ATOM 847 CH2 TRP A 80 1.361 1.469 -2.634 1.00 0.00 C ATOM 0 H TRP A 80 7.962 -0.411 -5.034 1.00 0.00 H new ATOM 0 HA TRP A 80 7.246 -2.044 -2.794 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.308 0.273 -2.422 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.372 0.633 -3.859 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.790 -1.179 -0.439 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.357 -0.747 0.320 1.00 0.00 H new ATOM 0 HE3 TRP A 80 4.201 1.475 -4.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 1.091 0.564 -0.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 1.877 2.287 -4.550 1.00 0.00 H new ATOM 0 HH2 TRP A 80 0.347 1.839 -2.679 1.00 0.00 H new ATOM 858 N VAL A 81 4.907 -1.536 -5.115 1.00 0.00 N ATOM 859 CA VAL A 81 3.717 -2.115 -5.746 1.00 0.00 C ATOM 860 C VAL A 81 3.891 -3.619 -5.967 1.00 0.00 C ATOM 861 O VAL A 81 3.071 -4.417 -5.509 1.00 0.00 O ATOM 862 CB VAL A 81 3.415 -1.433 -7.103 1.00 0.00 C ATOM 863 CG1 VAL A 81 2.294 -2.152 -7.842 1.00 0.00 C ATOM 864 CG2 VAL A 81 3.057 0.033 -6.899 1.00 0.00 C ATOM 0 H VAL A 81 5.176 -0.626 -5.489 1.00 0.00 H new ATOM 0 HA VAL A 81 2.880 -1.946 -5.069 1.00 0.00 H new ATOM 0 HB VAL A 81 4.316 -1.491 -7.713 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.104 -1.651 -8.791 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.586 -3.185 -8.029 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.389 -2.135 -7.235 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.848 0.494 -7.864 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.175 0.107 -6.263 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.891 0.548 -6.423 1.00 0.00 H new ATOM 874 N MET A 82 4.973 -3.993 -6.657 1.00 0.00 N ATOM 875 CA MET A 82 5.272 -5.399 -6.937 1.00 0.00 C ATOM 876 C MET A 82 5.330 -6.215 -5.647 1.00 0.00 C ATOM 877 O MET A 82 4.740 -7.294 -5.560 1.00 0.00 O ATOM 878 CB MET A 82 6.597 -5.517 -7.693 1.00 0.00 C ATOM 879 CG MET A 82 6.522 -4.990 -9.114 1.00 0.00 C ATOM 880 SD MET A 82 8.102 -5.046 -9.975 1.00 0.00 S ATOM 881 CE MET A 82 7.599 -4.471 -11.594 1.00 0.00 C ATOM 0 H MET A 82 5.658 -3.338 -7.033 1.00 0.00 H new ATOM 0 HA MET A 82 4.470 -5.799 -7.558 1.00 0.00 H new ATOM 0 HB2 MET A 82 7.368 -4.971 -7.150 1.00 0.00 H new ATOM 0 HB3 MET A 82 6.903 -6.563 -7.716 1.00 0.00 H new ATOM 0 HG2 MET A 82 5.790 -5.573 -9.673 1.00 0.00 H new ATOM 0 HG3 MET A 82 6.162 -3.961 -9.095 1.00 0.00 H new ATOM 0 HE1 MET A 82 8.479 -4.175 -12.165 1.00 0.00 H new ATOM 0 HE2 MET A 82 7.079 -5.272 -12.119 1.00 0.00 H new ATOM 0 HE3 MET A 82 6.932 -3.615 -11.485 1.00 0.00 H new ATOM 891 N TRP A 83 6.049 -5.693 -4.652 1.00 0.00 N ATOM 892 CA TRP A 83 6.176 -6.353 -3.353 1.00 0.00 C ATOM 893 C TRP A 83 4.795 -6.621 -2.739 1.00 0.00 C ATOM 894 O TRP A 83 4.577 -7.663 -2.120 1.00 0.00 O ATOM 895 CB TRP A 83 7.026 -5.491 -2.407 1.00 0.00 C ATOM 896 CG TRP A 83 6.792 -5.774 -0.953 1.00 0.00 C ATOM 897 CD1 TRP A 83 7.466 -6.664 -0.167 1.00 0.00 C ATOM 898 CD2 TRP A 83 5.804 -5.163 -0.113 1.00 0.00 C ATOM 899 NE1 TRP A 83 6.957 -6.644 1.108 1.00 0.00 N ATOM 900 CE2 TRP A 83 5.936 -5.731 1.166 1.00 0.00 C ATOM 901 CE3 TRP A 83 4.822 -4.191 -0.322 1.00 0.00 C ATOM 902 CZ2 TRP A 83 5.120 -5.360 2.231 1.00 0.00 C ATOM 903 CZ3 TRP A 83 4.014 -3.822 0.736 1.00 0.00 C ATOM 904 CH2 TRP A 83 4.167 -4.406 1.999 1.00 0.00 C ATOM 0 H TRP A 83 6.555 -4.810 -4.723 1.00 0.00 H new ATOM 0 HA TRP A 83 6.672 -7.312 -3.499 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.080 -5.652 -2.633 1.00 0.00 H new ATOM 0 HB3 TRP A 83 6.815 -4.439 -2.601 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.280 -7.291 -0.499 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.285 -7.216 1.886 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.697 -3.736 -1.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.235 -5.809 3.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 3.252 -3.071 0.586 1.00 0.00 H new ATOM 0 HH2 TRP A 83 3.520 -4.097 2.807 1.00 0.00 H new ATOM 915 N ALA A 84 3.867 -5.677 -2.924 1.00 0.00 N ATOM 916 CA ALA A 84 2.511 -5.809 -2.390 1.00 0.00 C ATOM 917 C ALA A 84 1.699 -6.848 -3.169 1.00 0.00 C ATOM 918 O ALA A 84 0.685 -7.346 -2.677 1.00 0.00 O ATOM 919 CB ALA A 84 1.804 -4.462 -2.404 1.00 0.00 C ATOM 0 H ALA A 84 4.032 -4.813 -3.440 1.00 0.00 H new ATOM 0 HA ALA A 84 2.591 -6.156 -1.360 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.796 -4.576 -2.004 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.360 -3.753 -1.791 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.748 -4.091 -3.427 1.00 0.00 H new ATOM 925 N VAL A 85 2.154 -7.174 -4.381 1.00 0.00 N ATOM 926 CA VAL A 85 1.477 -8.160 -5.221 1.00 0.00 C ATOM 927 C VAL A 85 1.826 -9.578 -4.772 1.00 0.00 C ATOM 928 O VAL A 85 0.993 -10.480 -4.840 1.00 0.00 O ATOM 929 CB VAL A 85 1.854 -7.995 -6.710 1.00 0.00 C ATOM 930 CG1 VAL A 85 1.083 -8.980 -7.575 1.00 0.00 C ATOM 931 CG2 VAL A 85 1.599 -6.571 -7.173 1.00 0.00 C ATOM 0 H VAL A 85 2.990 -6.768 -4.802 1.00 0.00 H new ATOM 0 HA VAL A 85 0.406 -7.992 -5.112 1.00 0.00 H new ATOM 0 HB VAL A 85 2.918 -8.207 -6.815 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.365 -8.845 -8.619 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.317 -9.998 -7.264 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.013 -8.804 -7.462 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.871 -6.476 -8.224 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.543 -6.331 -7.048 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.200 -5.882 -6.579 1.00 0.00 H new ATOM 941 N ASN A 86 3.069 -9.767 -4.318 1.00 0.00 N ATOM 942 CA ASN A 86 3.532 -11.074 -3.851 1.00 0.00 C ATOM 943 C ASN A 86 3.155 -11.309 -2.386 1.00 0.00 C ATOM 944 O ASN A 86 2.913 -12.447 -1.980 1.00 0.00 O ATOM 945 CB ASN A 86 5.049 -11.197 -4.026 1.00 0.00 C ATOM 946 CG ASN A 86 5.470 -11.173 -5.484 1.00 0.00 C ATOM 947 OD1 ASN A 86 5.520 -12.211 -6.143 1.00 0.00 O ATOM 948 ND2 ASN A 86 5.776 -9.984 -5.996 1.00 0.00 N ATOM 0 H ASN A 86 3.772 -9.030 -4.265 1.00 0.00 H new ATOM 0 HA ASN A 86 3.039 -11.835 -4.455 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.540 -10.381 -3.496 1.00 0.00 H new ATOM 0 HB3 ASN A 86 5.390 -12.125 -3.568 1.00 0.00 H new ATOM 0 HD21 ASN A 86 6.066 -9.908 -6.971 1.00 0.00 H new ATOM 0 HD22 ASN A 86 5.721 -9.148 -5.414 1.00 0.00 H new ATOM 955 N GLU A 87 3.107 -10.231 -1.598 1.00 0.00 N ATOM 956 CA GLU A 87 2.756 -10.326 -0.180 1.00 0.00 C ATOM 957 C GLU A 87 1.253 -10.535 0.002 1.00 0.00 C ATOM 958 O GLU A 87 0.826 -11.319 0.851 1.00 0.00 O ATOM 959 CB GLU A 87 3.194 -9.062 0.567 1.00 0.00 C ATOM 960 CG GLU A 87 4.700 -8.853 0.592 1.00 0.00 C ATOM 961 CD GLU A 87 5.407 -9.756 1.586 1.00 0.00 C ATOM 962 OE1 GLU A 87 5.719 -10.910 1.223 1.00 0.00 O ATOM 963 OE2 GLU A 87 5.650 -9.307 2.727 1.00 0.00 O ATOM 0 H GLU A 87 3.307 -9.284 -1.919 1.00 0.00 H new ATOM 0 HA GLU A 87 3.280 -11.188 0.234 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.724 -8.195 0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.827 -9.112 1.592 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.103 -9.033 -0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.913 -7.813 0.839 1.00 0.00 H new ATOM 970 N PHE A 88 0.456 -9.828 -0.803 1.00 0.00 N ATOM 971 CA PHE A 88 -1.001 -9.930 -0.734 1.00 0.00 C ATOM 972 C PHE A 88 -1.571 -10.782 -1.875 1.00 0.00 C ATOM 973 O PHE A 88 -2.791 -10.883 -2.019 1.00 0.00 O ATOM 974 CB PHE A 88 -1.632 -8.535 -0.781 1.00 0.00 C ATOM 975 CG PHE A 88 -1.417 -7.724 0.465 1.00 0.00 C ATOM 976 CD1 PHE A 88 -0.289 -6.932 0.609 1.00 0.00 C ATOM 977 CD2 PHE A 88 -2.350 -7.749 1.489 1.00 0.00 C ATOM 978 CE1 PHE A 88 -0.096 -6.179 1.752 1.00 0.00 C ATOM 979 CE2 PHE A 88 -2.161 -7.000 2.634 1.00 0.00 C ATOM 980 CZ PHE A 88 -1.034 -6.215 2.766 1.00 0.00 C ATOM 0 H PHE A 88 0.797 -9.178 -1.511 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.245 -10.418 0.210 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.222 -7.991 -1.632 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.703 -8.638 -0.955 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.447 -6.903 -0.180 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.235 -8.361 1.391 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.786 -5.564 1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.895 -7.029 3.426 1.00 0.00 H new ATOM 0 HZ PHE A 88 -0.885 -5.629 3.661 1.00 0.00 H new ATOM 990 N SER A 89 -0.689 -11.405 -2.674 1.00 0.00 N ATOM 991 CA SER A 89 -1.118 -12.226 -3.809 1.00 0.00 C ATOM 992 C SER A 89 -2.202 -11.502 -4.614 1.00 0.00 C ATOM 993 O SER A 89 -3.294 -12.032 -4.829 1.00 0.00 O ATOM 994 CB SER A 89 -1.623 -13.589 -3.321 1.00 0.00 C ATOM 995 OG SER A 89 -1.878 -14.463 -4.408 1.00 0.00 O ATOM 0 H SER A 89 0.322 -11.353 -2.552 1.00 0.00 H new ATOM 0 HA SER A 89 -0.261 -12.392 -4.462 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.883 -14.037 -2.657 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.534 -13.454 -2.738 1.00 0.00 H new ATOM 0 HG SER A 89 -2.542 -14.058 -5.004 1.00 0.00 H new ATOM 1001 N LEU A 90 -1.883 -10.285 -5.057 1.00 0.00 N ATOM 1002 CA LEU A 90 -2.827 -9.473 -5.818 1.00 0.00 C ATOM 1003 C LEU A 90 -2.843 -9.870 -7.294 1.00 0.00 C ATOM 1004 O LEU A 90 -2.044 -10.702 -7.732 1.00 0.00 O ATOM 1005 CB LEU A 90 -2.483 -7.987 -5.664 1.00 0.00 C ATOM 1006 CG LEU A 90 -2.436 -7.481 -4.217 1.00 0.00 C ATOM 1007 CD1 LEU A 90 -2.175 -5.983 -4.179 1.00 0.00 C ATOM 1008 CD2 LEU A 90 -3.730 -7.816 -3.489 1.00 0.00 C ATOM 0 H LEU A 90 -0.978 -9.842 -4.901 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.826 -9.651 -5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.515 -7.803 -6.129 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.218 -7.400 -6.215 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.615 -7.985 -3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.146 -5.645 -3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.220 -5.768 -4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.972 -5.461 -4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.677 -7.449 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.568 -7.343 -4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.873 -8.897 -3.480 1.00 0.00 H new ATOM 1020 N LYS A 91 -3.757 -9.270 -8.056 1.00 0.00 N ATOM 1021 CA LYS A 91 -3.885 -9.571 -9.482 1.00 0.00 C ATOM 1022 C LYS A 91 -4.512 -8.404 -10.246 1.00 0.00 C ATOM 1023 O LYS A 91 -5.356 -7.678 -9.715 1.00 0.00 O ATOM 1024 CB LYS A 91 -4.717 -10.844 -9.690 1.00 0.00 C ATOM 1025 CG LYS A 91 -6.199 -10.690 -9.360 1.00 0.00 C ATOM 1026 CD LYS A 91 -6.436 -10.545 -7.863 1.00 0.00 C ATOM 1027 CE LYS A 91 -7.919 -10.453 -7.535 1.00 0.00 C ATOM 1028 NZ LYS A 91 -8.648 -11.711 -7.866 1.00 0.00 N ATOM 0 H LYS A 91 -4.418 -8.574 -7.711 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.882 -9.733 -9.876 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.620 -11.161 -10.728 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.301 -11.640 -9.073 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.597 -9.817 -9.877 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.746 -11.557 -9.732 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.000 -11.397 -7.341 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.927 -9.653 -7.498 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.042 -10.232 -6.475 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.361 -9.623 -8.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.605 -11.675 -7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.714 -11.812 -8.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.134 -12.524 -7.470 1.00 0.00 H new ATOM 1042 N GLY A 92 -4.087 -8.233 -11.500 1.00 0.00 N ATOM 1043 CA GLY A 92 -4.612 -7.164 -12.336 1.00 0.00 C ATOM 1044 C GLY A 92 -3.896 -5.832 -12.150 1.00 0.00 C ATOM 1045 O GLY A 92 -4.172 -4.879 -12.881 1.00 0.00 O ATOM 0 H GLY A 92 -3.385 -8.820 -11.952 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.538 -7.463 -13.382 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.671 -7.031 -12.117 1.00 0.00 H new ATOM 1049 N VAL A 93 -2.978 -5.755 -11.180 1.00 0.00 N ATOM 1050 CA VAL A 93 -2.241 -4.521 -10.921 1.00 0.00 C ATOM 1051 C VAL A 93 -1.226 -4.250 -12.028 1.00 0.00 C ATOM 1052 O VAL A 93 -0.421 -5.116 -12.376 1.00 0.00 O ATOM 1053 CB VAL A 93 -1.522 -4.558 -9.553 1.00 0.00 C ATOM 1054 CG1 VAL A 93 -0.456 -5.643 -9.522 1.00 0.00 C ATOM 1055 CG2 VAL A 93 -0.922 -3.198 -9.221 1.00 0.00 C ATOM 0 H VAL A 93 -2.731 -6.531 -10.566 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.972 -3.713 -10.900 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.264 -4.798 -8.791 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.033 -5.645 -8.548 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.920 -6.614 -9.698 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.284 -5.449 -10.299 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.421 -3.248 -8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.200 -2.921 -9.990 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.714 -2.451 -9.181 1.00 0.00 H new ATOM 1065 N ASP A 94 -1.277 -3.041 -12.579 1.00 0.00 N ATOM 1066 CA ASP A 94 -0.378 -2.647 -13.654 1.00 0.00 C ATOM 1067 C ASP A 94 0.797 -1.830 -13.124 1.00 0.00 C ATOM 1068 O ASP A 94 0.608 -0.849 -12.403 1.00 0.00 O ATOM 1069 CB ASP A 94 -1.141 -1.838 -14.703 1.00 0.00 C ATOM 1070 CG ASP A 94 -2.337 -2.587 -15.261 1.00 0.00 C ATOM 1071 OD1 ASP A 94 -2.160 -3.350 -16.234 1.00 0.00 O ATOM 1072 OD2 ASP A 94 -3.451 -2.411 -14.724 1.00 0.00 O ATOM 0 H ASP A 94 -1.935 -2.315 -12.296 1.00 0.00 H new ATOM 0 HA ASP A 94 0.018 -3.554 -14.111 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.478 -0.901 -14.259 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.466 -1.579 -15.519 1.00 0.00 H new ATOM 1077 N PHE A 95 2.009 -2.243 -13.494 1.00 0.00 N ATOM 1078 CA PHE A 95 3.223 -1.547 -13.069 1.00 0.00 C ATOM 1079 C PHE A 95 3.545 -0.399 -14.028 1.00 0.00 C ATOM 1080 O PHE A 95 4.191 0.576 -13.640 1.00 0.00 O ATOM 1081 CB PHE A 95 4.401 -2.522 -12.971 1.00 0.00 C ATOM 1082 CG PHE A 95 4.093 -3.740 -12.144 1.00 0.00 C ATOM 1083 CD1 PHE A 95 3.787 -3.622 -10.797 1.00 0.00 C ATOM 1084 CD2 PHE A 95 4.097 -5.002 -12.718 1.00 0.00 C ATOM 1085 CE1 PHE A 95 3.494 -4.739 -10.038 1.00 0.00 C ATOM 1086 CE2 PHE A 95 3.804 -6.121 -11.964 1.00 0.00 C ATOM 1087 CZ PHE A 95 3.502 -5.989 -10.623 1.00 0.00 C ATOM 0 H PHE A 95 2.176 -3.056 -14.087 1.00 0.00 H new ATOM 0 HA PHE A 95 3.050 -1.127 -12.078 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.690 -2.835 -13.974 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.258 -2.005 -12.540 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.777 -2.646 -10.335 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.332 -5.111 -13.766 1.00 0.00 H new ATOM 0 HE1 PHE A 95 3.259 -4.634 -8.989 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.811 -7.099 -12.423 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.272 -6.863 -10.032 1.00 0.00 H new ATOM 1097 N GLN A 96 3.090 -0.522 -15.281 1.00 0.00 N ATOM 1098 CA GLN A 96 3.289 0.526 -16.282 1.00 0.00 C ATOM 1099 C GLN A 96 2.551 1.796 -15.858 1.00 0.00 C ATOM 1100 O GLN A 96 3.010 2.911 -16.112 1.00 0.00 O ATOM 1101 CB GLN A 96 2.786 0.062 -17.653 1.00 0.00 C ATOM 1102 CG GLN A 96 3.491 -1.181 -18.177 1.00 0.00 C ATOM 1103 CD GLN A 96 4.994 -0.997 -18.297 1.00 0.00 C ATOM 1104 OE1 GLN A 96 5.495 -0.555 -19.330 1.00 0.00 O ATOM 1105 NE2 GLN A 96 5.723 -1.341 -17.238 1.00 0.00 N ATOM 0 H GLN A 96 2.582 -1.338 -15.623 1.00 0.00 H new ATOM 0 HA GLN A 96 4.355 0.738 -16.357 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.716 -0.138 -17.589 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.916 0.872 -18.371 1.00 0.00 H new ATOM 0 HG2 GLN A 96 3.284 -2.019 -17.511 1.00 0.00 H new ATOM 0 HG3 GLN A 96 3.082 -1.441 -19.153 1.00 0.00 H new ATOM 0 HE21 GLN A 96 5.267 -1.704 -16.401 1.00 0.00 H new ATOM 0 HE22 GLN A 96 6.738 -1.242 -17.264 1.00 0.00 H new ATOM 1114 N LYS A 97 1.401 1.606 -15.206 1.00 0.00 N ATOM 1115 CA LYS A 97 0.585 2.709 -14.706 1.00 0.00 C ATOM 1116 C LYS A 97 1.297 3.456 -13.578 1.00 0.00 C ATOM 1117 O LYS A 97 1.143 4.671 -13.439 1.00 0.00 O ATOM 1118 CB LYS A 97 -0.757 2.171 -14.198 1.00 0.00 C ATOM 1119 CG LYS A 97 -1.817 2.032 -15.283 1.00 0.00 C ATOM 1120 CD LYS A 97 -1.358 1.126 -16.414 1.00 0.00 C ATOM 1121 CE LYS A 97 -2.473 0.881 -17.419 1.00 0.00 C ATOM 1122 NZ LYS A 97 -2.029 0.018 -18.548 1.00 0.00 N ATOM 0 H LYS A 97 1.012 0.683 -15.011 1.00 0.00 H new ATOM 0 HA LYS A 97 0.417 3.406 -15.527 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.595 1.198 -13.735 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.133 2.836 -13.420 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.732 1.632 -14.847 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.058 3.017 -15.683 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.504 1.577 -16.919 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.020 0.174 -16.005 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.318 0.412 -16.915 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.825 1.836 -17.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.820 -0.123 -19.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.239 0.477 -19.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.717 -0.903 -18.179 1.00 0.00 H new ATOM 1136 N PHE A 98 2.078 2.725 -12.774 1.00 0.00 N ATOM 1137 CA PHE A 98 2.808 3.326 -11.659 1.00 0.00 C ATOM 1138 C PHE A 98 4.268 3.616 -12.027 1.00 0.00 C ATOM 1139 O PHE A 98 5.157 3.536 -11.175 1.00 0.00 O ATOM 1140 CB PHE A 98 2.750 2.410 -10.432 1.00 0.00 C ATOM 1141 CG PHE A 98 1.358 2.170 -9.918 1.00 0.00 C ATOM 1142 CD1 PHE A 98 0.565 3.228 -9.505 1.00 0.00 C ATOM 1143 CD2 PHE A 98 0.844 0.884 -9.847 1.00 0.00 C ATOM 1144 CE1 PHE A 98 -0.714 3.010 -9.032 1.00 0.00 C ATOM 1145 CE2 PHE A 98 -0.435 0.660 -9.374 1.00 0.00 C ATOM 1146 CZ PHE A 98 -1.215 1.725 -8.965 1.00 0.00 C ATOM 0 H PHE A 98 2.218 1.720 -12.877 1.00 0.00 H new ATOM 0 HA PHE A 98 2.327 4.276 -11.425 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.204 1.452 -10.684 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.351 2.848 -9.635 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.952 4.235 -9.553 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.450 0.048 -10.165 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.322 3.844 -8.715 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.825 -0.346 -9.324 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.214 1.553 -8.594 1.00 0.00 H new ATOM 1156 N CYS A 99 4.514 3.957 -13.295 1.00 0.00 N ATOM 1157 CA CYS A 99 5.862 4.270 -13.758 1.00 0.00 C ATOM 1158 C CYS A 99 6.160 5.757 -13.561 1.00 0.00 C ATOM 1159 O CYS A 99 6.305 6.510 -14.527 1.00 0.00 O ATOM 1160 CB CYS A 99 6.027 3.880 -15.229 1.00 0.00 C ATOM 1161 SG CYS A 99 6.261 2.109 -15.504 1.00 0.00 S ATOM 0 H CYS A 99 3.796 4.022 -14.016 1.00 0.00 H new ATOM 0 HA CYS A 99 6.574 3.693 -13.168 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.147 4.209 -15.781 1.00 0.00 H new ATOM 0 HB3 CYS A 99 6.881 4.416 -15.642 1.00 0.00 H new ATOM 0 HG CYS A 99 5.433 1.441 -14.757 1.00 0.00 H new ATOM 1167 N MET A 100 6.245 6.170 -12.297 1.00 0.00 N ATOM 1168 CA MET A 100 6.517 7.564 -11.954 1.00 0.00 C ATOM 1169 C MET A 100 7.110 7.673 -10.550 1.00 0.00 C ATOM 1170 O MET A 100 7.104 6.707 -9.784 1.00 0.00 O ATOM 1171 CB MET A 100 5.231 8.393 -12.047 1.00 0.00 C ATOM 1172 CG MET A 100 4.257 8.137 -10.905 1.00 0.00 C ATOM 1173 SD MET A 100 2.608 8.784 -11.238 1.00 0.00 S ATOM 1174 CE MET A 100 2.010 7.590 -12.433 1.00 0.00 C ATOM 0 H MET A 100 6.129 5.556 -11.491 1.00 0.00 H new ATOM 0 HA MET A 100 7.244 7.954 -12.666 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.491 9.451 -12.061 1.00 0.00 H new ATOM 0 HB3 MET A 100 4.735 8.174 -12.993 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.192 7.064 -10.722 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.644 8.593 -9.994 1.00 0.00 H new ATOM 0 HE1 MET A 100 1.672 8.110 -13.329 1.00 0.00 H new ATOM 0 HE2 MET A 100 2.815 6.903 -12.694 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.180 7.030 -12.003 1.00 0.00 H new ATOM 1184 N SER A 101 7.619 8.859 -10.219 1.00 0.00 N ATOM 1185 CA SER A 101 8.217 9.098 -8.908 1.00 0.00 C ATOM 1186 C SER A 101 7.146 9.188 -7.821 1.00 0.00 C ATOM 1187 O SER A 101 5.976 9.452 -8.106 1.00 0.00 O ATOM 1188 CB SER A 101 9.057 10.380 -8.926 1.00 0.00 C ATOM 1189 OG SER A 101 8.256 11.516 -9.208 1.00 0.00 O ATOM 0 H SER A 101 7.629 9.668 -10.840 1.00 0.00 H new ATOM 0 HA SER A 101 8.866 8.253 -8.679 1.00 0.00 H new ATOM 0 HB2 SER A 101 9.548 10.509 -7.962 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.844 10.292 -9.675 1.00 0.00 H new ATOM 0 HG SER A 101 8.817 12.319 -9.211 1.00 0.00 H new ATOM 1195 N GLY A 102 7.562 8.963 -6.576 1.00 0.00 N ATOM 1196 CA GLY A 102 6.645 9.015 -5.448 1.00 0.00 C ATOM 1197 C GLY A 102 5.910 10.339 -5.350 1.00 0.00 C ATOM 1198 O GLY A 102 4.702 10.363 -5.109 1.00 0.00 O ATOM 0 H GLY A 102 8.527 8.744 -6.327 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.919 8.207 -5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.200 8.843 -4.526 1.00 0.00 H new ATOM 1202 N ALA A 103 6.641 11.442 -5.533 1.00 0.00 N ATOM 1203 CA ALA A 103 6.049 12.778 -5.480 1.00 0.00 C ATOM 1204 C ALA A 103 4.854 12.882 -6.427 1.00 0.00 C ATOM 1205 O ALA A 103 3.848 13.517 -6.104 1.00 0.00 O ATOM 1206 CB ALA A 103 7.093 13.833 -5.823 1.00 0.00 C ATOM 0 H ALA A 103 7.644 11.434 -5.719 1.00 0.00 H new ATOM 0 HA ALA A 103 5.694 12.954 -4.465 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.638 14.823 -5.780 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.913 13.779 -5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.475 13.653 -6.828 1.00 0.00 H new ATOM 1212 N ALA A 104 4.972 12.247 -7.597 1.00 0.00 N ATOM 1213 CA ALA A 104 3.899 12.248 -8.589 1.00 0.00 C ATOM 1214 C ALA A 104 2.730 11.389 -8.115 1.00 0.00 C ATOM 1215 O ALA A 104 1.572 11.798 -8.199 1.00 0.00 O ATOM 1216 CB ALA A 104 4.413 11.738 -9.926 1.00 0.00 C ATOM 0 H ALA A 104 5.802 11.726 -7.878 1.00 0.00 H new ATOM 0 HA ALA A 104 3.550 13.273 -8.715 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.602 11.745 -10.654 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.220 12.382 -10.275 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.786 10.721 -9.808 1.00 0.00 H new ATOM 1222 N LEU A 105 3.052 10.193 -7.613 1.00 0.00 N ATOM 1223 CA LEU A 105 2.050 9.253 -7.110 1.00 0.00 C ATOM 1224 C LEU A 105 1.184 9.894 -6.022 1.00 0.00 C ATOM 1225 O LEU A 105 -0.042 9.773 -6.050 1.00 0.00 O ATOM 1226 CB LEU A 105 2.741 7.998 -6.565 1.00 0.00 C ATOM 1227 CG LEU A 105 1.839 6.776 -6.396 1.00 0.00 C ATOM 1228 CD1 LEU A 105 1.391 6.249 -7.752 1.00 0.00 C ATOM 1229 CD2 LEU A 105 2.562 5.690 -5.611 1.00 0.00 C ATOM 0 H LEU A 105 4.011 9.852 -7.545 1.00 0.00 H new ATOM 0 HA LEU A 105 1.397 8.975 -7.937 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.560 7.735 -7.235 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.184 8.238 -5.599 1.00 0.00 H new ATOM 0 HG LEU A 105 0.952 7.075 -5.837 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.750 5.379 -7.610 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.837 7.026 -8.279 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.265 5.964 -8.338 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.908 4.826 -5.498 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.465 5.394 -6.146 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.832 6.071 -4.626 1.00 0.00 H new ATOM 1241 N CYS A 106 1.827 10.569 -5.066 1.00 0.00 N ATOM 1242 CA CYS A 106 1.108 11.238 -3.980 1.00 0.00 C ATOM 1243 C CYS A 106 0.247 12.381 -4.524 1.00 0.00 C ATOM 1244 O CYS A 106 -0.889 12.574 -4.087 1.00 0.00 O ATOM 1245 CB CYS A 106 2.095 11.773 -2.936 1.00 0.00 C ATOM 1246 SG CYS A 106 1.322 12.715 -1.601 1.00 0.00 S ATOM 0 H CYS A 106 2.841 10.666 -5.022 1.00 0.00 H new ATOM 0 HA CYS A 106 0.453 10.508 -3.504 1.00 0.00 H new ATOM 0 HB2 CYS A 106 2.641 10.934 -2.505 1.00 0.00 H new ATOM 0 HB3 CYS A 106 2.828 12.407 -3.436 1.00 0.00 H new ATOM 0 HG CYS A 106 1.080 11.926 -0.597 1.00 0.00 H new ATOM 1252 N ALA A 107 0.800 13.129 -5.482 1.00 0.00 N ATOM 1253 CA ALA A 107 0.090 14.250 -6.100 1.00 0.00 C ATOM 1254 C ALA A 107 -1.130 13.776 -6.898 1.00 0.00 C ATOM 1255 O ALA A 107 -2.090 14.528 -7.076 1.00 0.00 O ATOM 1256 CB ALA A 107 1.035 15.036 -7.000 1.00 0.00 C ATOM 0 H ALA A 107 1.740 12.977 -5.847 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.269 14.898 -5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.497 15.868 -7.455 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.865 15.421 -6.408 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.420 14.382 -7.782 1.00 0.00 H new ATOM 1262 N LEU A 108 -1.084 12.528 -7.374 1.00 0.00 N ATOM 1263 CA LEU A 108 -2.182 11.953 -8.153 1.00 0.00 C ATOM 1264 C LEU A 108 -3.456 11.803 -7.319 1.00 0.00 C ATOM 1265 O LEU A 108 -4.560 12.026 -7.820 1.00 0.00 O ATOM 1266 CB LEU A 108 -1.778 10.585 -8.713 1.00 0.00 C ATOM 1267 CG LEU A 108 -0.853 10.618 -9.931 1.00 0.00 C ATOM 1268 CD1 LEU A 108 -0.450 9.208 -10.329 1.00 0.00 C ATOM 1269 CD2 LEU A 108 -1.526 11.330 -11.097 1.00 0.00 C ATOM 0 H LEU A 108 -0.296 11.896 -7.232 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.390 12.641 -8.972 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.287 10.019 -7.921 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.683 10.040 -8.981 1.00 0.00 H new ATOM 0 HG LEU A 108 0.047 11.173 -9.665 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.208 9.249 -11.197 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.073 8.731 -9.500 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.341 8.631 -10.576 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.852 11.343 -11.953 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.442 10.804 -11.364 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.766 12.353 -10.809 1.00 0.00 H new ATOM 1281 N GLY A 109 -3.298 11.439 -6.046 1.00 0.00 N ATOM 1282 CA GLY A 109 -4.446 11.250 -5.179 1.00 0.00 C ATOM 1283 C GLY A 109 -5.054 9.865 -5.320 1.00 0.00 C ATOM 1284 O GLY A 109 -4.653 9.090 -6.191 1.00 0.00 O ATOM 0 H GLY A 109 -2.395 11.272 -5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.146 11.409 -4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.201 12.001 -5.411 1.00 0.00 H new ATOM 1288 N LYS A 110 -6.021 9.554 -4.458 1.00 0.00 N ATOM 1289 CA LYS A 110 -6.689 8.251 -4.481 1.00 0.00 C ATOM 1290 C LYS A 110 -7.398 8.002 -5.816 1.00 0.00 C ATOM 1291 O LYS A 110 -7.259 6.929 -6.400 1.00 0.00 O ATOM 1292 CB LYS A 110 -7.691 8.148 -3.327 1.00 0.00 C ATOM 1293 CG LYS A 110 -8.402 6.805 -3.252 1.00 0.00 C ATOM 1294 CD LYS A 110 -9.172 6.648 -1.950 1.00 0.00 C ATOM 1295 CE LYS A 110 -10.313 7.650 -1.847 1.00 0.00 C ATOM 1296 NZ LYS A 110 -11.033 7.545 -0.548 1.00 0.00 N ATOM 0 H LYS A 110 -6.361 10.187 -3.734 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.922 7.485 -4.362 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.168 8.325 -2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.435 8.938 -3.432 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -9.087 6.709 -4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.672 6.001 -3.342 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.570 5.635 -1.882 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.493 6.781 -1.107 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.920 8.660 -1.963 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -11.015 7.485 -2.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -11.802 8.245 -0.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.431 6.589 -0.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.370 7.728 0.232 1.00 0.00 H new ATOM 1310 N GLU A 111 -8.156 8.994 -6.291 1.00 0.00 N ATOM 1311 CA GLU A 111 -8.886 8.872 -7.559 1.00 0.00 C ATOM 1312 C GLU A 111 -7.960 8.460 -8.708 1.00 0.00 C ATOM 1313 O GLU A 111 -8.246 7.493 -9.418 1.00 0.00 O ATOM 1314 CB GLU A 111 -9.607 10.183 -7.899 1.00 0.00 C ATOM 1315 CG GLU A 111 -8.690 11.394 -8.014 1.00 0.00 C ATOM 1316 CD GLU A 111 -9.450 12.679 -8.282 1.00 0.00 C ATOM 1317 OE1 GLU A 111 -9.672 13.001 -9.468 1.00 0.00 O ATOM 1318 OE2 GLU A 111 -9.822 13.363 -7.305 1.00 0.00 O ATOM 0 H GLU A 111 -8.281 9.889 -5.819 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.629 8.085 -7.432 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.141 10.056 -8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.356 10.381 -7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -8.118 11.500 -7.092 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.972 11.227 -8.817 1.00 0.00 H new ATOM 1325 N CYS A 112 -6.852 9.180 -8.884 1.00 0.00 N ATOM 1326 CA CYS A 112 -5.903 8.874 -9.952 1.00 0.00 C ATOM 1327 C CYS A 112 -5.211 7.533 -9.710 1.00 0.00 C ATOM 1328 O CYS A 112 -4.996 6.763 -10.648 1.00 0.00 O ATOM 1329 CB CYS A 112 -4.862 9.987 -10.078 1.00 0.00 C ATOM 1330 SG CYS A 112 -5.520 11.548 -10.710 1.00 0.00 S ATOM 0 H CYS A 112 -6.591 9.976 -8.303 1.00 0.00 H new ATOM 0 HA CYS A 112 -6.463 8.805 -10.885 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -4.415 10.164 -9.100 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -4.063 9.649 -10.737 1.00 0.00 H new ATOM 0 HG CYS A 112 -5.442 12.458 -9.785 1.00 0.00 H new ATOM 1336 N PHE A 113 -4.870 7.254 -8.449 1.00 0.00 N ATOM 1337 CA PHE A 113 -4.210 6.001 -8.090 1.00 0.00 C ATOM 1338 C PHE A 113 -5.120 4.808 -8.383 1.00 0.00 C ATOM 1339 O PHE A 113 -4.666 3.789 -8.908 1.00 0.00 O ATOM 1340 CB PHE A 113 -3.819 6.013 -6.610 1.00 0.00 C ATOM 1341 CG PHE A 113 -2.942 4.861 -6.212 1.00 0.00 C ATOM 1342 CD1 PHE A 113 -3.498 3.666 -5.787 1.00 0.00 C ATOM 1343 CD2 PHE A 113 -1.564 4.975 -6.265 1.00 0.00 C ATOM 1344 CE1 PHE A 113 -2.693 2.606 -5.421 1.00 0.00 C ATOM 1345 CE2 PHE A 113 -0.754 3.919 -5.899 1.00 0.00 C ATOM 1346 CZ PHE A 113 -1.318 2.732 -5.477 1.00 0.00 C ATOM 0 H PHE A 113 -5.041 7.880 -7.662 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.308 5.904 -8.694 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.302 6.946 -6.387 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.724 5.997 -6.003 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -4.572 3.562 -5.741 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.117 5.901 -6.596 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -3.138 1.679 -5.091 1.00 0.00 H new ATOM 0 HE2 PHE A 113 0.320 4.021 -5.943 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.686 1.904 -5.191 1.00 0.00 H new ATOM 1356 N LEU A 114 -6.403 4.941 -8.035 1.00 0.00 N ATOM 1357 CA LEU A 114 -7.382 3.881 -8.276 1.00 0.00 C ATOM 1358 C LEU A 114 -7.594 3.667 -9.777 1.00 0.00 C ATOM 1359 O LEU A 114 -8.020 2.593 -10.199 1.00 0.00 O ATOM 1360 CB LEU A 114 -8.710 4.206 -7.582 1.00 0.00 C ATOM 1361 CG LEU A 114 -8.865 3.629 -6.169 1.00 0.00 C ATOM 1362 CD1 LEU A 114 -7.681 4.011 -5.292 1.00 0.00 C ATOM 1363 CD2 LEU A 114 -10.167 4.106 -5.543 1.00 0.00 C ATOM 0 H LEU A 114 -6.786 5.773 -7.586 1.00 0.00 H new ATOM 0 HA LEU A 114 -6.992 2.955 -7.854 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.819 5.289 -7.529 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.526 3.834 -8.201 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.892 2.542 -6.246 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.815 3.590 -4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.763 3.621 -5.730 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -7.616 5.097 -5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -10.263 3.689 -4.541 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.165 5.194 -5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.007 3.777 -6.155 1.00 0.00 H new ATOM 1375 N GLU A 115 -7.314 4.700 -10.576 1.00 0.00 N ATOM 1376 CA GLU A 115 -7.430 4.604 -12.031 1.00 0.00 C ATOM 1377 C GLU A 115 -6.224 3.858 -12.617 1.00 0.00 C ATOM 1378 O GLU A 115 -6.307 3.292 -13.709 1.00 0.00 O ATOM 1379 CB GLU A 115 -7.534 6.000 -12.654 1.00 0.00 C ATOM 1380 CG GLU A 115 -8.861 6.691 -12.384 1.00 0.00 C ATOM 1381 CD GLU A 115 -8.870 8.137 -12.840 1.00 0.00 C ATOM 1382 OE1 GLU A 115 -9.155 8.382 -14.031 1.00 0.00 O ATOM 1383 OE2 GLU A 115 -8.592 9.026 -12.007 1.00 0.00 O ATOM 0 H GLU A 115 -7.006 5.612 -10.239 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.337 4.046 -12.265 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.726 6.621 -12.269 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.389 5.919 -13.731 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.658 6.149 -12.892 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.077 6.649 -11.316 1.00 0.00 H new ATOM 1390 N LEU A 116 -5.107 3.864 -11.879 1.00 0.00 N ATOM 1391 CA LEU A 116 -3.881 3.189 -12.306 1.00 0.00 C ATOM 1392 C LEU A 116 -3.911 1.700 -11.949 1.00 0.00 C ATOM 1393 O LEU A 116 -3.418 0.862 -12.706 1.00 0.00 O ATOM 1394 CB LEU A 116 -2.664 3.849 -11.647 1.00 0.00 C ATOM 1395 CG LEU A 116 -2.413 5.305 -12.044 1.00 0.00 C ATOM 1396 CD1 LEU A 116 -1.272 5.891 -11.226 1.00 0.00 C ATOM 1397 CD2 LEU A 116 -2.112 5.410 -13.532 1.00 0.00 C ATOM 0 H LEU A 116 -5.030 4.334 -10.977 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.809 3.280 -13.390 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.787 3.801 -10.565 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.777 3.265 -11.893 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.316 5.878 -11.836 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.107 6.927 -11.522 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.526 5.852 -10.167 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.364 5.314 -11.403 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.936 6.453 -13.795 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.224 4.822 -13.766 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.959 5.030 -14.102 1.00 0.00 H new ATOM 1409 N ALA A 117 -4.493 1.382 -10.791 1.00 0.00 N ATOM 1410 CA ALA A 117 -4.589 -0.001 -10.325 1.00 0.00 C ATOM 1411 C ALA A 117 -6.025 -0.517 -10.413 1.00 0.00 C ATOM 1412 O ALA A 117 -6.970 0.271 -10.445 1.00 0.00 O ATOM 1413 CB ALA A 117 -4.076 -0.110 -8.896 1.00 0.00 C ATOM 0 H ALA A 117 -4.906 2.067 -10.158 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.970 -0.620 -10.974 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.152 -1.144 -8.560 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -3.034 0.208 -8.858 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.674 0.528 -8.245 1.00 0.00 H new ATOM 1419 N PRO A 118 -6.210 -1.852 -10.466 1.00 0.00 N ATOM 1420 CA PRO A 118 -7.541 -2.468 -10.545 1.00 0.00 C ATOM 1421 C PRO A 118 -8.460 -2.056 -9.391 1.00 0.00 C ATOM 1422 O PRO A 118 -8.056 -1.337 -8.473 1.00 0.00 O ATOM 1423 CB PRO A 118 -7.260 -3.977 -10.494 1.00 0.00 C ATOM 1424 CG PRO A 118 -5.855 -4.105 -10.020 1.00 0.00 C ATOM 1425 CD PRO A 118 -5.145 -2.863 -10.479 1.00 0.00 C ATOM 0 HA PRO A 118 -8.066 -2.152 -11.447 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -7.950 -4.482 -9.818 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -7.386 -4.433 -11.476 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -5.817 -4.197 -8.935 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -5.385 -4.998 -10.432 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -4.326 -2.596 -9.811 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.717 -2.987 -11.474 1.00 0.00 H new ATOM 1433 N ASP A 119 -9.700 -2.536 -9.453 1.00 0.00 N ATOM 1434 CA ASP A 119 -10.721 -2.230 -8.449 1.00 0.00 C ATOM 1435 C ASP A 119 -10.395 -2.773 -7.051 1.00 0.00 C ATOM 1436 O ASP A 119 -11.019 -2.347 -6.076 1.00 0.00 O ATOM 1437 CB ASP A 119 -12.072 -2.795 -8.902 1.00 0.00 C ATOM 1438 CG ASP A 119 -12.584 -2.133 -10.168 1.00 0.00 C ATOM 1439 OD1 ASP A 119 -13.266 -1.093 -10.060 1.00 0.00 O ATOM 1440 OD2 ASP A 119 -12.301 -2.656 -11.267 1.00 0.00 O ATOM 0 H ASP A 119 -10.027 -3.148 -10.200 1.00 0.00 H new ATOM 0 HA ASP A 119 -10.754 -1.144 -8.367 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -11.976 -3.868 -9.070 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -12.803 -2.662 -8.105 1.00 0.00 H new ATOM 1445 N PHE A 120 -9.439 -3.705 -6.937 1.00 0.00 N ATOM 1446 CA PHE A 120 -9.123 -4.265 -5.618 1.00 0.00 C ATOM 1447 C PHE A 120 -7.761 -3.810 -5.087 1.00 0.00 C ATOM 1448 O PHE A 120 -7.681 -3.230 -4.002 1.00 0.00 O ATOM 1449 CB PHE A 120 -9.231 -5.793 -5.623 1.00 0.00 C ATOM 1450 CG PHE A 120 -10.625 -6.293 -5.884 1.00 0.00 C ATOM 1451 CD1 PHE A 120 -11.089 -6.445 -7.181 1.00 0.00 C ATOM 1452 CD2 PHE A 120 -11.471 -6.606 -4.832 1.00 0.00 C ATOM 1453 CE1 PHE A 120 -12.371 -6.901 -7.424 1.00 0.00 C ATOM 1454 CE2 PHE A 120 -12.754 -7.061 -5.070 1.00 0.00 C ATOM 1455 CZ PHE A 120 -13.204 -7.209 -6.367 1.00 0.00 C ATOM 0 H PHE A 120 -8.889 -4.076 -7.712 1.00 0.00 H new ATOM 0 HA PHE A 120 -9.871 -3.870 -4.930 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -8.561 -6.195 -6.383 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -8.889 -6.177 -4.662 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -10.442 -6.204 -8.011 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -11.124 -6.493 -3.815 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -12.721 -7.016 -8.439 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -13.404 -7.301 -4.242 1.00 0.00 H new ATOM 0 HZ PHE A 120 -14.206 -7.565 -6.554 1.00 0.00 H new ATOM 1465 N VAL A 121 -6.695 -4.074 -5.847 1.00 0.00 N ATOM 1466 CA VAL A 121 -5.336 -3.704 -5.425 1.00 0.00 C ATOM 1467 C VAL A 121 -5.200 -2.195 -5.195 1.00 0.00 C ATOM 1468 O VAL A 121 -4.445 -1.765 -4.322 1.00 0.00 O ATOM 1469 CB VAL A 121 -4.259 -4.163 -6.437 1.00 0.00 C ATOM 1470 CG1 VAL A 121 -4.545 -5.570 -6.943 1.00 0.00 C ATOM 1471 CG2 VAL A 121 -4.140 -3.184 -7.591 1.00 0.00 C ATOM 0 H VAL A 121 -6.743 -4.540 -6.753 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.170 -4.224 -4.482 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.302 -4.184 -5.916 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -3.772 -5.866 -7.652 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -4.551 -6.264 -6.103 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.517 -5.589 -7.437 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.376 -3.532 -8.286 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.097 -3.114 -8.109 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -3.862 -2.202 -7.208 1.00 0.00 H new ATOM 1481 N GLY A 122 -5.927 -1.398 -5.987 1.00 0.00 N ATOM 1482 CA GLY A 122 -5.874 0.051 -5.850 1.00 0.00 C ATOM 1483 C GLY A 122 -6.160 0.519 -4.432 1.00 0.00 C ATOM 1484 O GLY A 122 -5.586 1.507 -3.973 1.00 0.00 O ATOM 0 H GLY A 122 -6.551 -1.733 -6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.888 0.404 -6.153 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -6.597 0.502 -6.530 1.00 0.00 H new ATOM 1488 N ASP A 123 -7.049 -0.196 -3.738 1.00 0.00 N ATOM 1489 CA ASP A 123 -7.410 0.141 -2.363 1.00 0.00 C ATOM 1490 C ASP A 123 -6.289 -0.235 -1.395 1.00 0.00 C ATOM 1491 O ASP A 123 -5.876 0.581 -0.574 1.00 0.00 O ATOM 1492 CB ASP A 123 -8.704 -0.571 -1.962 1.00 0.00 C ATOM 1493 CG ASP A 123 -9.882 -0.164 -2.828 1.00 0.00 C ATOM 1494 OD1 ASP A 123 -10.106 -0.819 -3.867 1.00 0.00 O ATOM 1495 OD2 ASP A 123 -10.577 0.809 -2.468 1.00 0.00 O ATOM 0 H ASP A 123 -7.532 -1.014 -4.109 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.565 1.219 -2.311 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -8.559 -1.649 -2.034 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -8.930 -0.348 -0.919 1.00 0.00 H new ATOM 1500 N ILE A 124 -5.803 -1.473 -1.497 1.00 0.00 N ATOM 1501 CA ILE A 124 -4.729 -1.956 -0.628 1.00 0.00 C ATOM 1502 C ILE A 124 -3.490 -1.069 -0.734 1.00 0.00 C ATOM 1503 O ILE A 124 -3.017 -0.524 0.264 1.00 0.00 O ATOM 1504 CB ILE A 124 -4.315 -3.403 -0.975 1.00 0.00 C ATOM 1505 CG1 ILE A 124 -5.517 -4.344 -0.902 1.00 0.00 C ATOM 1506 CG2 ILE A 124 -3.208 -3.877 -0.042 1.00 0.00 C ATOM 1507 CD1 ILE A 124 -5.169 -5.786 -1.196 1.00 0.00 C ATOM 0 H ILE A 124 -6.136 -2.160 -2.173 1.00 0.00 H new ATOM 0 HA ILE A 124 -5.124 -1.926 0.387 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.936 -3.415 -1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -5.959 -4.280 0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.275 -4.009 -1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -2.928 -4.898 -0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -2.341 -3.225 -0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -3.563 -3.847 0.988 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.068 -6.399 -1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.754 -5.863 -2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.434 -6.138 -0.472 1.00 0.00 H new ATOM 1519 N LEU A 125 -2.976 -0.942 -1.957 1.00 0.00 N ATOM 1520 CA LEU A 125 -1.785 -0.140 -2.221 1.00 0.00 C ATOM 1521 C LEU A 125 -1.909 1.271 -1.647 1.00 0.00 C ATOM 1522 O LEU A 125 -1.099 1.662 -0.812 1.00 0.00 O ATOM 1523 CB LEU A 125 -1.497 -0.082 -3.723 1.00 0.00 C ATOM 1524 CG LEU A 125 -1.158 -1.424 -4.375 1.00 0.00 C ATOM 1525 CD1 LEU A 125 -1.021 -1.267 -5.882 1.00 0.00 C ATOM 1526 CD2 LEU A 125 0.117 -2.002 -3.780 1.00 0.00 C ATOM 0 H LEU A 125 -3.370 -1.388 -2.785 1.00 0.00 H new ATOM 0 HA LEU A 125 -0.948 -0.626 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.367 0.339 -4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -0.668 0.605 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.975 -2.118 -4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.780 -2.232 -6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.960 -0.900 -6.296 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.225 -0.556 -6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.341 -2.956 -4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 125 0.943 -1.310 -3.947 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.018 -2.154 -2.709 1.00 0.00 H new ATOM 1538 N TRP A 126 -2.923 2.029 -2.074 1.00 0.00 N ATOM 1539 CA TRP A 126 -3.106 3.398 -1.579 1.00 0.00 C ATOM 1540 C TRP A 126 -3.337 3.423 -0.062 1.00 0.00 C ATOM 1541 O TRP A 126 -2.952 4.390 0.599 1.00 0.00 O ATOM 1542 CB TRP A 126 -4.245 4.118 -2.321 1.00 0.00 C ATOM 1543 CG TRP A 126 -5.006 5.085 -1.456 1.00 0.00 C ATOM 1544 CD1 TRP A 126 -4.816 6.432 -1.364 1.00 0.00 C ATOM 1545 CD2 TRP A 126 -6.061 4.765 -0.543 1.00 0.00 C ATOM 1546 NE1 TRP A 126 -5.690 6.971 -0.451 1.00 0.00 N ATOM 1547 CE2 TRP A 126 -6.466 5.966 0.069 1.00 0.00 C ATOM 1548 CE3 TRP A 126 -6.704 3.579 -0.184 1.00 0.00 C ATOM 1549 CZ2 TRP A 126 -7.482 6.011 1.019 1.00 0.00 C ATOM 1550 CZ3 TRP A 126 -7.710 3.623 0.759 1.00 0.00 C ATOM 1551 CH2 TRP A 126 -8.092 4.832 1.352 1.00 0.00 C ATOM 0 H TRP A 126 -3.621 1.724 -2.752 1.00 0.00 H new ATOM 0 HA TRP A 126 -2.182 3.939 -1.782 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -3.830 4.655 -3.174 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -4.937 3.375 -2.717 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -4.085 6.994 -1.927 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -5.752 7.958 -0.201 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -6.418 2.641 -0.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -7.778 6.943 1.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -8.211 2.710 1.044 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -8.884 4.834 2.087 1.00 0.00 H new ATOM 1562 N GLU A 127 -3.954 2.380 0.492 1.00 0.00 N ATOM 1563 CA GLU A 127 -4.193 2.331 1.932 1.00 0.00 C ATOM 1564 C GLU A 127 -2.862 2.336 2.685 1.00 0.00 C ATOM 1565 O GLU A 127 -2.625 3.195 3.536 1.00 0.00 O ATOM 1566 CB GLU A 127 -5.016 1.096 2.310 1.00 0.00 C ATOM 1567 CG GLU A 127 -5.654 1.189 3.689 1.00 0.00 C ATOM 1568 CD GLU A 127 -6.699 2.287 3.776 1.00 0.00 C ATOM 1569 OE1 GLU A 127 -6.325 3.439 4.083 1.00 0.00 O ATOM 1570 OE2 GLU A 127 -7.889 1.995 3.537 1.00 0.00 O ATOM 0 H GLU A 127 -4.293 1.569 -0.026 1.00 0.00 H new ATOM 0 HA GLU A 127 -4.764 3.215 2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -5.799 0.949 1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -4.373 0.216 2.274 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -6.115 0.233 3.937 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -4.878 1.371 4.433 1.00 0.00 H new ATOM 1577 N HIS A 128 -1.992 1.376 2.356 1.00 0.00 N ATOM 1578 CA HIS A 128 -0.674 1.281 2.982 1.00 0.00 C ATOM 1579 C HIS A 128 0.228 2.424 2.506 1.00 0.00 C ATOM 1580 O HIS A 128 1.081 2.908 3.252 1.00 0.00 O ATOM 1581 CB HIS A 128 -0.027 -0.072 2.658 1.00 0.00 C ATOM 1582 CG HIS A 128 1.317 -0.274 3.293 1.00 0.00 C ATOM 1583 ND1 HIS A 128 2.294 -1.076 2.741 1.00 0.00 N ATOM 1584 CD2 HIS A 128 1.845 0.221 4.439 1.00 0.00 C ATOM 1585 CE1 HIS A 128 3.362 -1.066 3.517 1.00 0.00 C ATOM 1586 NE2 HIS A 128 3.116 -0.286 4.553 1.00 0.00 N ATOM 0 H HIS A 128 -2.179 0.655 1.659 1.00 0.00 H new ATOM 0 HA HIS A 128 -0.798 1.361 4.062 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -0.695 -0.870 2.984 1.00 0.00 H new ATOM 0 HB3 HIS A 128 0.076 -0.164 1.577 1.00 0.00 H new ATOM 0 HD2 HIS A 128 1.357 0.889 5.133 1.00 0.00 H new ATOM 0 HE1 HIS A 128 4.280 -1.604 3.335 1.00 0.00 H new ATOM 0 HE2 HIS A 128 3.765 -0.091 5.315 1.00 0.00 H new ATOM 1595 N LEU A 129 0.025 2.847 1.255 1.00 0.00 N ATOM 1596 CA LEU A 129 0.797 3.936 0.660 1.00 0.00 C ATOM 1597 C LEU A 129 0.636 5.219 1.469 1.00 0.00 C ATOM 1598 O LEU A 129 1.623 5.866 1.822 1.00 0.00 O ATOM 1599 CB LEU A 129 0.342 4.175 -0.783 1.00 0.00 C ATOM 1600 CG LEU A 129 1.137 5.224 -1.563 1.00 0.00 C ATOM 1601 CD1 LEU A 129 2.569 4.759 -1.785 1.00 0.00 C ATOM 1602 CD2 LEU A 129 0.456 5.524 -2.890 1.00 0.00 C ATOM 0 H LEU A 129 -0.675 2.446 0.631 1.00 0.00 H new ATOM 0 HA LEU A 129 1.849 3.651 0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 129 0.395 3.230 -1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.706 4.476 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 129 1.167 6.142 -0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 129 3.116 5.520 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 129 3.052 4.596 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 129 2.565 3.828 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 129 1.033 6.272 -3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.395 4.611 -3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.549 5.904 -2.706 1.00 0.00 H new ATOM 1614 N GLU A 130 -0.616 5.577 1.767 1.00 0.00 N ATOM 1615 CA GLU A 130 -0.904 6.784 2.536 1.00 0.00 C ATOM 1616 C GLU A 130 -0.365 6.652 3.961 1.00 0.00 C ATOM 1617 O GLU A 130 0.067 7.636 4.563 1.00 0.00 O ATOM 1618 CB GLU A 130 -2.411 7.060 2.550 1.00 0.00 C ATOM 1619 CG GLU A 130 -2.788 8.394 3.175 1.00 0.00 C ATOM 1620 CD GLU A 130 -2.021 9.562 2.583 1.00 0.00 C ATOM 1621 OE1 GLU A 130 -2.291 9.920 1.416 1.00 0.00 O ATOM 1622 OE2 GLU A 130 -1.153 10.120 3.287 1.00 0.00 O ATOM 0 H GLU A 130 -1.442 5.048 1.487 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.405 7.628 2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -2.785 7.031 1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -2.912 6.260 3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -3.857 8.563 3.042 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -2.604 8.352 4.248 1.00 0.00 H new ATOM 1629 N ILE A 131 -0.399 5.426 4.494 1.00 0.00 N ATOM 1630 CA ILE A 131 0.108 5.149 5.837 1.00 0.00 C ATOM 1631 C ILE A 131 1.605 5.462 5.920 1.00 0.00 C ATOM 1632 O ILE A 131 2.086 5.983 6.927 1.00 0.00 O ATOM 1633 CB ILE A 131 -0.146 3.675 6.232 1.00 0.00 C ATOM 1634 CG1 ILE A 131 -1.635 3.453 6.514 1.00 0.00 C ATOM 1635 CG2 ILE A 131 0.694 3.276 7.437 1.00 0.00 C ATOM 1636 CD1 ILE A 131 -2.016 1.995 6.655 1.00 0.00 C ATOM 0 H ILE A 131 -0.774 4.609 4.012 1.00 0.00 H new ATOM 0 HA ILE A 131 -0.428 5.791 6.536 1.00 0.00 H new ATOM 0 HB ILE A 131 0.151 3.042 5.396 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -1.905 3.980 7.429 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -2.219 3.896 5.707 1.00 0.00 H new ATOM 0 HG21 ILE A 131 0.494 2.235 7.691 1.00 0.00 H new ATOM 0 HG22 ILE A 131 1.751 3.395 7.199 1.00 0.00 H new ATOM 0 HG23 ILE A 131 0.439 3.912 8.285 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -3.085 1.916 6.854 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -1.778 1.466 5.732 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -1.460 1.552 7.481 1.00 0.00 H new ATOM 1648 N LEU A 132 2.332 5.133 4.852 1.00 0.00 N ATOM 1649 CA LEU A 132 3.768 5.396 4.775 1.00 0.00 C ATOM 1650 C LEU A 132 4.046 6.901 4.792 1.00 0.00 C ATOM 1651 O LEU A 132 5.041 7.351 5.363 1.00 0.00 O ATOM 1652 CB LEU A 132 4.345 4.775 3.499 1.00 0.00 C ATOM 1653 CG LEU A 132 4.361 3.244 3.466 1.00 0.00 C ATOM 1654 CD1 LEU A 132 4.687 2.744 2.067 1.00 0.00 C ATOM 1655 CD2 LEU A 132 5.363 2.698 4.474 1.00 0.00 C ATOM 0 H LEU A 132 1.946 4.681 4.023 1.00 0.00 H new ATOM 0 HA LEU A 132 4.247 4.946 5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.768 5.134 2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 132 5.365 5.136 3.368 1.00 0.00 H new ATOM 0 HG LEU A 132 3.369 2.884 3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.694 1.654 2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 132 3.934 3.105 1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.667 3.114 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 132 5.360 1.609 4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.360 3.067 4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 132 5.087 3.027 5.476 1.00 0.00 H new ATOM 1667 N GLN A 133 3.155 7.674 4.158 1.00 0.00 N ATOM 1668 CA GLN A 133 3.291 9.130 4.094 1.00 0.00 C ATOM 1669 C GLN A 133 3.176 9.763 5.481 1.00 0.00 C ATOM 1670 O GLN A 133 4.060 10.508 5.902 1.00 0.00 O ATOM 1671 CB GLN A 133 2.225 9.728 3.168 1.00 0.00 C ATOM 1672 CG GLN A 133 2.206 9.119 1.775 1.00 0.00 C ATOM 1673 CD GLN A 133 1.094 9.674 0.905 1.00 0.00 C ATOM 1674 OE1 GLN A 133 0.709 10.837 1.032 1.00 0.00 O ATOM 1675 NE2 GLN A 133 0.568 8.841 0.014 1.00 0.00 N ATOM 0 H GLN A 133 2.330 7.311 3.681 1.00 0.00 H new ATOM 0 HA GLN A 133 4.282 9.349 3.696 1.00 0.00 H new ATOM 0 HB2 GLN A 133 1.245 9.595 3.625 1.00 0.00 H new ATOM 0 HB3 GLN A 133 2.393 10.801 3.082 1.00 0.00 H new ATOM 0 HG2 GLN A 133 3.165 9.302 1.291 1.00 0.00 H new ATOM 0 HG3 GLN A 133 2.091 8.038 1.858 1.00 0.00 H new ATOM 0 HE21 GLN A 133 0.917 7.885 -0.058 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -0.184 9.157 -0.598 1.00 0.00 H new