USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 449 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 26 ASN : amide:sc= 0.163 K(o=0.65,f=-1) USER MOD Set 1.2: A 75 SER OG : rot -67:sc= 0.563 USER MOD Set 1.3: A 79 GLN : amide:sc= -0.094 X(o=0.65,f=0.39) USER MOD Set 1.4: A 84 ASN : amide:sc= 0.0198 K(o=0.65,f=-3.8!) USER MOD Single : A 23 THR OG1 : rot 24:sc= 0.12 USER MOD Single : A 32 THR OG1 : rot -120:sc= -0.87 USER MOD Single : A 34 LYS NZ :NH3+ 136:sc= -0.37 (180deg=-2.22!) USER MOD Single : A 42 ASN : amide:sc= 0.0125 X(o=0.013,f=-0.45) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -24:sc= 0.592 USER MOD Single : A 67 ASN : amide:sc= -0.0151 X(o=-0.015,f=-0.12) USER MOD Single : A 70 ASN : amide:sc= -1.28 K(o=-1.3,f=-6.7!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.216 USER MOD ----------------------------------------------------------------- ATOM 366 N THR A 23 -6.200 -5.963 -9.453 1.00 0.00 N ATOM 367 CA THR A 23 -5.687 -5.971 -8.085 1.00 0.00 C ATOM 368 C THR A 23 -5.302 -4.544 -7.662 1.00 0.00 C ATOM 369 O THR A 23 -4.378 -3.933 -8.217 1.00 0.00 O ATOM 370 CB THR A 23 -4.464 -6.935 -7.952 1.00 0.00 C ATOM 371 OG1 THR A 23 -4.805 -8.241 -8.461 1.00 0.00 O ATOM 372 CG2 THR A 23 -3.993 -7.077 -6.504 1.00 0.00 C ATOM 0 HA THR A 23 -6.472 -6.336 -7.422 1.00 0.00 H new ATOM 0 HB THR A 23 -3.652 -6.499 -8.534 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.543 -8.160 -9.100 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.142 -7.757 -6.463 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.697 -6.101 -6.120 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.804 -7.475 -5.895 1.00 0.00 H new ATOM 380 N ARG A 24 -6.045 -4.026 -6.686 1.00 0.00 N ATOM 381 CA ARG A 24 -5.819 -2.705 -6.083 1.00 0.00 C ATOM 382 C ARG A 24 -5.636 -2.893 -4.557 1.00 0.00 C ATOM 383 O ARG A 24 -5.979 -3.954 -4.009 1.00 0.00 O ATOM 384 CB ARG A 24 -7.018 -1.784 -6.469 1.00 0.00 C ATOM 385 CG ARG A 24 -6.968 -0.342 -5.951 1.00 0.00 C ATOM 386 CD ARG A 24 -7.948 0.604 -6.668 1.00 0.00 C ATOM 387 NE ARG A 24 -9.360 0.182 -6.602 1.00 0.00 N ATOM 388 CZ ARG A 24 -10.268 0.402 -7.576 1.00 0.00 C ATOM 389 NH1 ARG A 24 -9.898 0.850 -8.774 1.00 0.00 N ATOM 390 NH2 ARG A 24 -11.548 0.133 -7.369 1.00 0.00 N ATOM 0 H ARG A 24 -6.840 -4.520 -6.280 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.915 -2.221 -6.452 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.088 -1.754 -7.556 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.935 -2.246 -6.103 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.189 -0.340 -4.884 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.955 0.042 -6.067 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.858 1.599 -6.232 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.655 0.687 -7.715 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.671 -0.309 -5.764 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.914 1.033 -8.968 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.599 1.010 -9.497 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.851 -0.242 -6.470 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.230 0.301 -8.108 1.00 0.00 H new ATOM 404 N ILE A 25 -5.086 -1.875 -3.882 1.00 0.00 N ATOM 405 CA ILE A 25 -4.679 -1.970 -2.467 1.00 0.00 C ATOM 406 C ILE A 25 -5.128 -0.714 -1.700 1.00 0.00 C ATOM 407 O ILE A 25 -5.101 0.397 -2.237 1.00 0.00 O ATOM 408 CB ILE A 25 -3.111 -2.188 -2.331 1.00 0.00 C ATOM 409 CG1 ILE A 25 -2.661 -2.270 -0.829 1.00 0.00 C ATOM 410 CG2 ILE A 25 -2.315 -1.091 -3.081 1.00 0.00 C ATOM 411 CD1 ILE A 25 -1.191 -2.589 -0.603 1.00 0.00 C ATOM 0 H ILE A 25 -4.909 -0.961 -4.298 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.169 -2.839 -2.029 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.886 -3.147 -2.799 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.887 -1.318 -0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.261 -3.030 -0.329 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.247 -1.273 -2.965 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.574 -1.113 -4.139 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.563 -0.114 -2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.986 -2.622 0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.956 -3.556 -1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.576 -1.818 -1.066 1.00 0.00 H new ATOM 423 N ASN A 26 -5.545 -0.914 -0.444 1.00 0.00 N ATOM 424 CA ASN A 26 -5.945 0.173 0.452 1.00 0.00 C ATOM 425 C ASN A 26 -4.667 0.715 1.117 1.00 0.00 C ATOM 426 O ASN A 26 -4.121 0.083 2.034 1.00 0.00 O ATOM 427 CB ASN A 26 -6.944 -0.348 1.520 1.00 0.00 C ATOM 428 CG ASN A 26 -8.208 -0.977 0.915 1.00 0.00 C ATOM 429 OD1 ASN A 26 -9.222 -0.310 0.716 1.00 0.00 O ATOM 430 ND2 ASN A 26 -8.158 -2.266 0.621 1.00 0.00 N ATOM 0 H ASN A 26 -5.614 -1.839 -0.021 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.447 0.965 -0.103 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.443 -1.086 2.146 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.233 0.478 2.170 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.973 -2.729 0.219 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.304 -2.796 0.796 1.00 0.00 H new ATOM 437 N VAL A 27 -4.178 1.868 0.636 1.00 0.00 N ATOM 438 CA VAL A 27 -2.879 2.427 1.049 1.00 0.00 C ATOM 439 C VAL A 27 -3.098 3.437 2.172 1.00 0.00 C ATOM 440 O VAL A 27 -3.624 4.532 1.937 1.00 0.00 O ATOM 441 CB VAL A 27 -2.147 3.124 -0.161 1.00 0.00 C ATOM 442 CG1 VAL A 27 -0.794 3.742 0.259 1.00 0.00 C ATOM 443 CG2 VAL A 27 -1.971 2.136 -1.330 1.00 0.00 C ATOM 0 H VAL A 27 -4.671 2.440 -0.050 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.247 1.611 1.400 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.779 3.946 -0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.324 4.211 -0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.961 4.491 1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.141 2.960 0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.464 2.636 -2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.376 1.285 -1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.949 1.788 -1.662 1.00 0.00 H new ATOM 453 N VAL A 28 -2.706 3.055 3.387 1.00 0.00 N ATOM 454 CA VAL A 28 -2.847 3.906 4.567 1.00 0.00 C ATOM 455 C VAL A 28 -1.546 4.689 4.770 1.00 0.00 C ATOM 456 O VAL A 28 -0.529 4.128 5.196 1.00 0.00 O ATOM 457 CB VAL A 28 -3.189 3.060 5.857 1.00 0.00 C ATOM 458 CG1 VAL A 28 -3.443 3.969 7.075 1.00 0.00 C ATOM 459 CG2 VAL A 28 -4.390 2.122 5.611 1.00 0.00 C ATOM 0 H VAL A 28 -2.282 2.148 3.580 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.676 4.595 4.406 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.320 2.441 6.079 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.675 3.355 7.945 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.552 4.563 7.278 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.282 4.633 6.865 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.600 1.554 6.517 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.265 2.714 5.343 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.154 1.435 4.799 1.00 0.00 H new ATOM 469 N ASP A 29 -1.579 5.972 4.392 1.00 0.00 N ATOM 470 CA ASP A 29 -0.471 6.904 4.614 1.00 0.00 C ATOM 471 C ASP A 29 -0.282 7.080 6.138 1.00 0.00 C ATOM 472 O ASP A 29 -1.202 7.557 6.807 1.00 0.00 O ATOM 473 CB ASP A 29 -0.769 8.271 3.927 1.00 0.00 C ATOM 474 CG ASP A 29 0.459 9.210 3.829 1.00 0.00 C ATOM 475 OD1 ASP A 29 1.021 9.600 4.870 1.00 0.00 O ATOM 476 OD2 ASP A 29 0.843 9.589 2.705 1.00 0.00 O ATOM 0 H ASP A 29 -2.380 6.394 3.921 1.00 0.00 H new ATOM 0 HA ASP A 29 0.446 6.510 4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.152 8.085 2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.558 8.779 4.481 1.00 0.00 H new ATOM 481 N PRO A 30 0.889 6.678 6.713 1.00 0.00 N ATOM 482 CA PRO A 30 1.095 6.682 8.185 1.00 0.00 C ATOM 483 C PRO A 30 1.274 8.100 8.778 1.00 0.00 C ATOM 484 O PRO A 30 1.107 8.306 9.986 1.00 0.00 O ATOM 485 CB PRO A 30 2.382 5.831 8.344 1.00 0.00 C ATOM 486 CG PRO A 30 3.147 6.069 7.075 1.00 0.00 C ATOM 487 CD PRO A 30 2.103 6.201 5.985 1.00 0.00 C ATOM 0 HA PRO A 30 0.232 6.292 8.725 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.956 6.139 9.218 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.146 4.775 8.474 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.754 6.972 7.147 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.827 5.243 6.867 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.413 6.909 5.217 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.922 5.249 5.486 1.00 0.00 H new ATOM 495 N GLU A 31 1.595 9.060 7.904 1.00 0.00 N ATOM 496 CA GLU A 31 2.022 10.414 8.291 1.00 0.00 C ATOM 497 C GLU A 31 0.826 11.392 8.271 1.00 0.00 C ATOM 498 O GLU A 31 0.559 12.095 9.255 1.00 0.00 O ATOM 499 CB GLU A 31 3.140 10.846 7.303 1.00 0.00 C ATOM 500 CG GLU A 31 4.293 9.811 7.220 1.00 0.00 C ATOM 501 CD GLU A 31 5.159 9.961 5.969 1.00 0.00 C ATOM 502 OE1 GLU A 31 4.739 9.495 4.888 1.00 0.00 O ATOM 503 OE2 GLU A 31 6.263 10.539 6.051 1.00 0.00 O ATOM 0 H GLU A 31 1.566 8.919 6.894 1.00 0.00 H new ATOM 0 HA GLU A 31 2.407 10.424 9.311 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.710 10.986 6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.543 11.810 7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.924 9.911 8.103 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.871 8.806 7.242 1.00 0.00 H new ATOM 510 N THR A 32 0.101 11.412 7.143 1.00 0.00 N ATOM 511 CA THR A 32 -1.078 12.283 6.944 1.00 0.00 C ATOM 512 C THR A 32 -2.396 11.538 7.254 1.00 0.00 C ATOM 513 O THR A 32 -3.470 12.154 7.267 1.00 0.00 O ATOM 514 CB THR A 32 -1.090 12.860 5.495 1.00 0.00 C ATOM 515 OG1 THR A 32 -1.063 11.790 4.547 1.00 0.00 O ATOM 516 CG2 THR A 32 0.106 13.800 5.235 1.00 0.00 C ATOM 0 H THR A 32 0.313 10.824 6.337 1.00 0.00 H new ATOM 0 HA THR A 32 -1.003 13.113 7.647 1.00 0.00 H new ATOM 0 HB THR A 32 -2.005 13.441 5.384 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.265 11.872 3.984 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.056 14.178 4.214 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.070 14.636 5.933 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.037 13.251 5.374 1.00 0.00 H new ATOM 524 N GLY A 33 -2.304 10.209 7.500 1.00 0.00 N ATOM 525 CA GLY A 33 -3.455 9.401 7.936 1.00 0.00 C ATOM 526 C GLY A 33 -4.402 9.001 6.808 1.00 0.00 C ATOM 527 O GLY A 33 -5.403 8.321 7.064 1.00 0.00 O ATOM 0 H GLY A 33 -1.439 9.678 7.402 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.087 8.498 8.424 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.015 9.961 8.684 1.00 0.00 H new ATOM 531 N LYS A 34 -4.086 9.439 5.567 1.00 0.00 N ATOM 532 CA LYS A 34 -4.955 9.241 4.395 1.00 0.00 C ATOM 533 C LYS A 34 -5.058 7.755 4.012 1.00 0.00 C ATOM 534 O LYS A 34 -4.105 7.179 3.478 1.00 0.00 O ATOM 535 CB LYS A 34 -4.439 10.058 3.178 1.00 0.00 C ATOM 536 CG LYS A 34 -4.176 11.550 3.472 1.00 0.00 C ATOM 537 CD LYS A 34 -3.772 12.388 2.223 1.00 0.00 C ATOM 538 CE LYS A 34 -2.465 11.923 1.529 1.00 0.00 C ATOM 539 NZ LYS A 34 -2.644 10.677 0.735 1.00 0.00 N ATOM 0 H LYS A 34 -3.222 9.938 5.356 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.948 9.596 4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.516 9.604 2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.168 9.983 2.371 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.073 11.985 3.912 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.385 11.627 4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.586 12.351 1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.658 13.430 2.522 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.105 12.717 0.874 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.696 11.759 2.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.164 10.778 -0.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.235 9.873 1.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.658 10.508 0.578 1.00 0.00 H new ATOM 553 N VAL A 35 -6.224 7.144 4.294 1.00 0.00 N ATOM 554 CA VAL A 35 -6.564 5.807 3.794 1.00 0.00 C ATOM 555 C VAL A 35 -7.101 5.991 2.371 1.00 0.00 C ATOM 556 O VAL A 35 -8.256 6.386 2.170 1.00 0.00 O ATOM 557 CB VAL A 35 -7.622 5.083 4.709 1.00 0.00 C ATOM 558 CG1 VAL A 35 -7.953 3.660 4.197 1.00 0.00 C ATOM 559 CG2 VAL A 35 -7.137 5.047 6.173 1.00 0.00 C ATOM 0 H VAL A 35 -6.951 7.565 4.873 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.681 5.168 3.802 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.545 5.660 4.664 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.686 3.197 4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.361 3.722 3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.045 3.057 4.184 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.881 4.543 6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.192 4.507 6.230 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.995 6.065 6.534 1.00 0.00 H new ATOM 569 N GLU A 36 -6.230 5.739 1.398 1.00 0.00 N ATOM 570 CA GLU A 36 -6.443 6.108 0.001 1.00 0.00 C ATOM 571 C GLU A 36 -6.173 4.869 -0.861 1.00 0.00 C ATOM 572 O GLU A 36 -5.042 4.374 -0.906 1.00 0.00 O ATOM 573 CB GLU A 36 -5.497 7.293 -0.355 1.00 0.00 C ATOM 574 CG GLU A 36 -5.876 8.051 -1.640 1.00 0.00 C ATOM 575 CD GLU A 36 -4.977 9.271 -1.921 1.00 0.00 C ATOM 576 OE1 GLU A 36 -4.922 10.194 -1.081 1.00 0.00 O ATOM 577 OE2 GLU A 36 -4.326 9.318 -2.985 1.00 0.00 O ATOM 0 H GLU A 36 -5.342 5.265 1.560 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.466 6.438 -0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.489 7.997 0.477 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.481 6.911 -0.460 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.821 7.366 -2.486 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.912 8.382 -1.565 1.00 0.00 H new ATOM 584 N ILE A 37 -7.223 4.358 -1.519 1.00 0.00 N ATOM 585 CA ILE A 37 -7.161 3.073 -2.232 1.00 0.00 C ATOM 586 C ILE A 37 -6.457 3.276 -3.600 1.00 0.00 C ATOM 587 O ILE A 37 -7.063 3.776 -4.557 1.00 0.00 O ATOM 588 CB ILE A 37 -8.602 2.440 -2.405 1.00 0.00 C ATOM 589 CG1 ILE A 37 -9.394 2.458 -1.051 1.00 0.00 C ATOM 590 CG2 ILE A 37 -8.506 0.996 -2.949 1.00 0.00 C ATOM 591 CD1 ILE A 37 -10.818 1.935 -1.144 1.00 0.00 C ATOM 0 H ILE A 37 -8.132 4.818 -1.573 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.578 2.366 -1.641 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.146 3.049 -3.127 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.849 1.862 -0.319 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.420 3.480 -0.674 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.508 0.582 -3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.008 1.005 -3.918 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.934 0.382 -2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.289 1.985 -0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.384 2.544 -1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.804 0.901 -1.488 1.00 0.00 H new ATOM 603 N ALA A 38 -5.157 2.919 -3.663 1.00 0.00 N ATOM 604 CA ALA A 38 -4.306 3.131 -4.860 1.00 0.00 C ATOM 605 C ALA A 38 -4.081 1.816 -5.604 1.00 0.00 C ATOM 606 O ALA A 38 -4.232 0.744 -5.027 1.00 0.00 O ATOM 607 CB ALA A 38 -2.973 3.761 -4.455 1.00 0.00 C ATOM 0 H ALA A 38 -4.665 2.476 -2.887 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.821 3.815 -5.535 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.357 3.912 -5.342 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.156 4.721 -3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.454 3.100 -3.761 1.00 0.00 H new ATOM 613 N GLU A 39 -3.634 1.915 -6.864 1.00 0.00 N ATOM 614 CA GLU A 39 -3.619 0.777 -7.812 1.00 0.00 C ATOM 615 C GLU A 39 -2.185 0.272 -7.999 1.00 0.00 C ATOM 616 O GLU A 39 -1.256 1.080 -8.154 1.00 0.00 O ATOM 617 CB GLU A 39 -4.238 1.180 -9.180 1.00 0.00 C ATOM 618 CG GLU A 39 -5.611 1.872 -9.070 1.00 0.00 C ATOM 619 CD GLU A 39 -6.428 1.849 -10.367 1.00 0.00 C ATOM 620 OE1 GLU A 39 -6.120 2.638 -11.289 1.00 0.00 O ATOM 621 OE2 GLU A 39 -7.395 1.049 -10.470 1.00 0.00 O ATOM 0 H GLU A 39 -3.272 2.782 -7.260 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.227 -0.026 -7.395 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.548 1.847 -9.697 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.341 0.287 -9.797 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.188 1.389 -8.281 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.461 2.908 -8.766 1.00 0.00 H new ATOM 628 N ILE A 40 -2.019 -1.060 -7.988 1.00 0.00 N ATOM 629 CA ILE A 40 -0.702 -1.693 -8.034 1.00 0.00 C ATOM 630 C ILE A 40 -0.131 -1.664 -9.475 1.00 0.00 C ATOM 631 O ILE A 40 -0.667 -2.292 -10.392 1.00 0.00 O ATOM 632 CB ILE A 40 -0.786 -3.163 -7.477 1.00 0.00 C ATOM 633 CG1 ILE A 40 -1.330 -3.134 -6.006 1.00 0.00 C ATOM 634 CG2 ILE A 40 0.583 -3.886 -7.559 1.00 0.00 C ATOM 635 CD1 ILE A 40 -1.523 -4.486 -5.355 1.00 0.00 C ATOM 0 H ILE A 40 -2.794 -1.722 -7.947 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.018 -1.130 -7.399 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.477 -3.732 -8.099 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.642 -2.551 -5.394 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.285 -2.608 -6.001 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.484 -4.898 -7.165 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.909 -3.931 -8.598 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.320 -3.338 -6.971 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.902 -4.351 -4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.238 -5.070 -5.935 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.569 -5.012 -5.319 1.00 0.00 H new ATOM 647 N ARG A 41 0.940 -0.884 -9.651 1.00 0.00 N ATOM 648 CA ARG A 41 1.708 -0.802 -10.900 1.00 0.00 C ATOM 649 C ARG A 41 2.580 -2.057 -11.069 1.00 0.00 C ATOM 650 O ARG A 41 2.511 -2.752 -12.079 1.00 0.00 O ATOM 651 CB ARG A 41 2.616 0.459 -10.851 1.00 0.00 C ATOM 652 CG ARG A 41 1.881 1.813 -10.968 1.00 0.00 C ATOM 653 CD ARG A 41 2.830 3.015 -10.737 1.00 0.00 C ATOM 654 NE ARG A 41 4.171 2.810 -11.331 1.00 0.00 N ATOM 655 CZ ARG A 41 4.928 3.751 -11.903 1.00 0.00 C ATOM 656 NH1 ARG A 41 4.456 4.973 -12.140 1.00 0.00 N ATOM 657 NH2 ARG A 41 6.172 3.450 -12.246 1.00 0.00 N ATOM 0 H ARG A 41 1.306 -0.279 -8.915 1.00 0.00 H new ATOM 0 HA ARG A 41 1.021 -0.735 -11.744 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.173 0.448 -9.914 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.346 0.391 -11.657 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.428 1.894 -11.956 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.069 1.848 -10.241 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.382 3.913 -11.163 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.935 3.189 -9.666 1.00 0.00 H new ATOM 0 HE ARG A 41 4.552 1.864 -11.301 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.497 5.208 -11.884 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.053 5.674 -12.578 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.536 2.513 -12.072 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.765 4.155 -12.684 1.00 0.00 H new ATOM 671 N ASN A 42 3.399 -2.321 -10.049 1.00 0.00 N ATOM 672 CA ASN A 42 4.376 -3.434 -10.031 1.00 0.00 C ATOM 673 C ASN A 42 4.392 -4.053 -8.634 1.00 0.00 C ATOM 674 O ASN A 42 3.801 -3.514 -7.712 1.00 0.00 O ATOM 675 CB ASN A 42 5.813 -2.934 -10.404 1.00 0.00 C ATOM 676 CG ASN A 42 5.976 -2.512 -11.873 1.00 0.00 C ATOM 677 OD1 ASN A 42 5.372 -3.101 -12.767 1.00 0.00 O ATOM 678 ND2 ASN A 42 6.770 -1.485 -12.124 1.00 0.00 N ATOM 0 H ASN A 42 3.409 -1.764 -9.194 1.00 0.00 H new ATOM 0 HA ASN A 42 4.077 -4.176 -10.771 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.068 -2.088 -9.765 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.529 -3.726 -10.184 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.896 -1.160 -13.083 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.257 -1.018 -11.359 1.00 0.00 H new ATOM 685 N VAL A 43 5.036 -5.216 -8.494 1.00 0.00 N ATOM 686 CA VAL A 43 5.362 -5.799 -7.176 1.00 0.00 C ATOM 687 C VAL A 43 6.887 -5.935 -7.111 1.00 0.00 C ATOM 688 O VAL A 43 7.464 -6.878 -7.668 1.00 0.00 O ATOM 689 CB VAL A 43 4.624 -7.176 -6.933 1.00 0.00 C ATOM 690 CG1 VAL A 43 4.930 -7.766 -5.533 1.00 0.00 C ATOM 691 CG2 VAL A 43 3.104 -7.013 -7.145 1.00 0.00 C ATOM 0 H VAL A 43 5.347 -5.782 -9.283 1.00 0.00 H new ATOM 0 HA VAL A 43 5.008 -5.149 -6.376 1.00 0.00 H new ATOM 0 HB VAL A 43 5.007 -7.888 -7.664 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.401 -8.711 -5.413 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.002 -7.936 -5.436 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.602 -7.067 -4.764 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.608 -7.969 -6.974 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.716 -6.273 -6.445 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.912 -6.682 -8.166 1.00 0.00 H new ATOM 914 N ILE A 57 3.953 -12.081 -6.703 1.00 0.00 N ATOM 915 CA ILE A 57 3.702 -12.724 -5.413 1.00 0.00 C ATOM 916 C ILE A 57 3.460 -11.650 -4.334 1.00 0.00 C ATOM 917 O ILE A 57 4.389 -11.202 -3.639 1.00 0.00 O ATOM 918 CB ILE A 57 4.904 -13.672 -5.017 1.00 0.00 C ATOM 919 CG1 ILE A 57 5.218 -14.695 -6.168 1.00 0.00 C ATOM 920 CG2 ILE A 57 4.635 -14.416 -3.686 1.00 0.00 C ATOM 921 CD1 ILE A 57 4.093 -15.664 -6.506 1.00 0.00 C ATOM 0 HA ILE A 57 2.808 -13.343 -5.492 1.00 0.00 H new ATOM 0 HB ILE A 57 5.779 -13.038 -4.870 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.476 -14.136 -7.068 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.099 -15.272 -5.888 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.484 -15.057 -3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.494 -13.690 -2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.737 -15.026 -3.785 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.412 -16.325 -7.312 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.847 -16.257 -5.625 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.213 -15.104 -6.823 1.00 0.00 H new ATOM 933 N ILE A 58 2.202 -11.183 -4.266 1.00 0.00 N ATOM 934 CA ILE A 58 1.757 -10.250 -3.235 1.00 0.00 C ATOM 935 C ILE A 58 1.447 -11.062 -1.975 1.00 0.00 C ATOM 936 O ILE A 58 0.472 -11.806 -1.936 1.00 0.00 O ATOM 937 CB ILE A 58 0.494 -9.431 -3.691 1.00 0.00 C ATOM 938 CG1 ILE A 58 0.737 -8.796 -5.102 1.00 0.00 C ATOM 939 CG2 ILE A 58 0.131 -8.349 -2.637 1.00 0.00 C ATOM 940 CD1 ILE A 58 -0.434 -8.013 -5.667 1.00 0.00 C ATOM 0 H ILE A 58 1.471 -11.446 -4.927 1.00 0.00 H new ATOM 0 HA ILE A 58 2.544 -9.521 -3.041 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.354 -10.111 -3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.601 -8.134 -5.041 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.993 -9.591 -5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.745 -7.794 -2.972 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.086 -8.829 -1.683 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.970 -7.664 -2.515 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.167 -7.614 -6.645 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.297 -8.671 -5.767 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.680 -7.191 -4.995 1.00 0.00 H new ATOM 952 N THR A 59 2.336 -10.969 -0.991 1.00 0.00 N ATOM 953 CA THR A 59 2.247 -11.702 0.283 1.00 0.00 C ATOM 954 C THR A 59 2.670 -10.764 1.413 1.00 0.00 C ATOM 955 O THR A 59 3.203 -9.688 1.140 1.00 0.00 O ATOM 956 CB THR A 59 3.164 -12.980 0.251 1.00 0.00 C ATOM 957 OG1 THR A 59 4.422 -12.653 -0.370 1.00 0.00 O ATOM 958 CG2 THR A 59 2.509 -14.152 -0.505 1.00 0.00 C ATOM 0 H THR A 59 3.160 -10.370 -1.051 1.00 0.00 H new ATOM 0 HA THR A 59 1.222 -12.035 0.446 1.00 0.00 H new ATOM 0 HB THR A 59 3.318 -13.299 1.282 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.994 -13.448 -0.389 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.181 -15.010 -0.499 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.572 -14.422 -0.017 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.309 -13.855 -1.535 1.00 0.00 H new ATOM 966 N ARG A 60 2.427 -11.167 2.667 1.00 0.00 N ATOM 967 CA ARG A 60 2.753 -10.345 3.846 1.00 0.00 C ATOM 968 C ARG A 60 4.268 -10.063 3.925 1.00 0.00 C ATOM 969 O ARG A 60 5.090 -10.992 3.916 1.00 0.00 O ATOM 970 CB ARG A 60 2.252 -11.019 5.142 1.00 0.00 C ATOM 971 CG ARG A 60 0.716 -11.109 5.253 1.00 0.00 C ATOM 972 CD ARG A 60 0.268 -11.818 6.540 1.00 0.00 C ATOM 973 NE ARG A 60 0.824 -13.186 6.623 1.00 0.00 N ATOM 974 CZ ARG A 60 1.348 -13.755 7.721 1.00 0.00 C ATOM 975 NH1 ARG A 60 1.398 -13.103 8.879 1.00 0.00 N ATOM 976 NH2 ARG A 60 1.834 -14.983 7.650 1.00 0.00 N ATOM 0 H ARG A 60 2.002 -12.066 2.895 1.00 0.00 H new ATOM 0 HA ARG A 60 2.239 -9.390 3.740 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.669 -12.024 5.200 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.635 -10.465 5.999 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.292 -10.105 5.227 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.322 -11.644 4.389 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.589 -11.240 7.406 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.821 -11.863 6.572 1.00 0.00 H new ATOM 0 HE ARG A 60 0.808 -13.747 5.771 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.034 -12.152 8.945 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.800 -13.554 9.701 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.809 -15.491 6.766 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.234 -15.422 8.479 1.00 0.00 H new ATOM 990 N GLY A 61 4.604 -8.768 4.002 1.00 0.00 N ATOM 991 CA GLY A 61 5.992 -8.295 4.011 1.00 0.00 C ATOM 992 C GLY A 61 6.515 -7.874 2.646 1.00 0.00 C ATOM 993 O GLY A 61 7.607 -7.308 2.564 1.00 0.00 O ATOM 0 H GLY A 61 3.916 -8.017 4.060 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.072 -7.450 4.695 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.631 -9.085 4.405 1.00 0.00 H new ATOM 997 N ALA A 62 5.758 -8.170 1.572 1.00 0.00 N ATOM 998 CA ALA A 62 6.135 -7.775 0.199 1.00 0.00 C ATOM 999 C ALA A 62 5.905 -6.273 -0.020 1.00 0.00 C ATOM 1000 O ALA A 62 5.109 -5.647 0.692 1.00 0.00 O ATOM 1001 CB ALA A 62 5.358 -8.600 -0.843 1.00 0.00 C ATOM 0 H ALA A 62 4.878 -8.683 1.628 1.00 0.00 H new ATOM 0 HA ALA A 62 7.198 -7.980 0.071 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.653 -8.291 -1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.582 -9.658 -0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.288 -8.436 -0.713 1.00 0.00 H new ATOM 1007 N VAL A 63 6.621 -5.699 -0.996 1.00 0.00 N ATOM 1008 CA VAL A 63 6.434 -4.296 -1.395 1.00 0.00 C ATOM 1009 C VAL A 63 5.768 -4.233 -2.777 1.00 0.00 C ATOM 1010 O VAL A 63 6.268 -4.815 -3.754 1.00 0.00 O ATOM 1011 CB VAL A 63 7.796 -3.507 -1.416 1.00 0.00 C ATOM 1012 CG1 VAL A 63 7.605 -2.044 -1.870 1.00 0.00 C ATOM 1013 CG2 VAL A 63 8.490 -3.560 -0.047 1.00 0.00 C ATOM 0 H VAL A 63 7.341 -6.189 -1.528 1.00 0.00 H new ATOM 0 HA VAL A 63 5.790 -3.821 -0.655 1.00 0.00 H new ATOM 0 HB VAL A 63 8.438 -4.000 -2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.569 -1.535 -1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.185 -2.027 -2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.926 -1.536 -1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.428 -3.006 -0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.842 -3.114 0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.694 -4.598 0.218 1.00 0.00 H new ATOM 1023 N VAL A 64 4.636 -3.527 -2.845 1.00 0.00 N ATOM 1024 CA VAL A 64 3.958 -3.231 -4.110 1.00 0.00 C ATOM 1025 C VAL A 64 4.190 -1.752 -4.476 1.00 0.00 C ATOM 1026 O VAL A 64 4.304 -0.888 -3.607 1.00 0.00 O ATOM 1027 CB VAL A 64 2.416 -3.552 -4.053 1.00 0.00 C ATOM 1028 CG1 VAL A 64 2.169 -5.057 -3.787 1.00 0.00 C ATOM 1029 CG2 VAL A 64 1.681 -2.683 -3.006 1.00 0.00 C ATOM 0 H VAL A 64 4.164 -3.145 -2.025 1.00 0.00 H new ATOM 0 HA VAL A 64 4.383 -3.875 -4.880 1.00 0.00 H new ATOM 0 HB VAL A 64 2.003 -3.304 -5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.097 -5.249 -3.753 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.618 -5.646 -4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.618 -5.337 -2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.621 -2.938 -3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.103 -2.868 -2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.800 -1.630 -3.260 1.00 0.00 H new ATOM 1039 N GLU A 65 4.288 -1.485 -5.772 1.00 0.00 N ATOM 1040 CA GLU A 65 4.438 -0.140 -6.325 1.00 0.00 C ATOM 1041 C GLU A 65 3.055 0.400 -6.707 1.00 0.00 C ATOM 1042 O GLU A 65 2.217 -0.341 -7.216 1.00 0.00 O ATOM 1043 CB GLU A 65 5.386 -0.190 -7.548 1.00 0.00 C ATOM 1044 CG GLU A 65 5.664 1.175 -8.206 1.00 0.00 C ATOM 1045 CD GLU A 65 6.672 1.069 -9.361 1.00 0.00 C ATOM 1046 OE1 GLU A 65 7.890 1.111 -9.102 1.00 0.00 O ATOM 1047 OE2 GLU A 65 6.248 0.894 -10.519 1.00 0.00 O ATOM 0 H GLU A 65 4.265 -2.213 -6.486 1.00 0.00 H new ATOM 0 HA GLU A 65 4.877 0.531 -5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.335 -0.628 -7.237 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.957 -0.857 -8.296 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.729 1.593 -8.579 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.046 1.867 -7.455 1.00 0.00 H new ATOM 1054 N THR A 66 2.828 1.684 -6.421 1.00 0.00 N ATOM 1055 CA THR A 66 1.593 2.411 -6.749 1.00 0.00 C ATOM 1056 C THR A 66 1.990 3.805 -7.263 1.00 0.00 C ATOM 1057 O THR A 66 3.180 4.148 -7.274 1.00 0.00 O ATOM 1058 CB THR A 66 0.654 2.564 -5.497 1.00 0.00 C ATOM 1059 OG1 THR A 66 1.353 3.258 -4.445 1.00 0.00 O ATOM 1060 CG2 THR A 66 0.134 1.209 -4.957 1.00 0.00 C ATOM 0 H THR A 66 3.515 2.265 -5.942 1.00 0.00 H new ATOM 0 HA THR A 66 1.041 1.850 -7.503 1.00 0.00 H new ATOM 0 HB THR A 66 -0.214 3.135 -5.826 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.319 3.148 -4.566 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.508 1.384 -4.094 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.435 0.701 -5.736 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.979 0.587 -4.661 1.00 0.00 H new ATOM 1068 N ASN A 67 1.002 4.621 -7.673 1.00 0.00 N ATOM 1069 CA ASN A 67 1.256 6.016 -8.100 1.00 0.00 C ATOM 1070 C ASN A 67 1.309 6.979 -6.886 1.00 0.00 C ATOM 1071 O ASN A 67 1.374 8.197 -7.063 1.00 0.00 O ATOM 1072 CB ASN A 67 0.193 6.466 -9.139 1.00 0.00 C ATOM 1073 CG ASN A 67 0.319 5.729 -10.483 1.00 0.00 C ATOM 1074 OD1 ASN A 67 1.058 6.157 -11.376 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -0.387 4.613 -10.641 1.00 0.00 N ATOM 0 H ASN A 67 0.022 4.343 -7.719 1.00 0.00 H new ATOM 0 HA ASN A 67 2.234 6.053 -8.579 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.803 6.296 -8.729 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.289 7.538 -9.308 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.325 4.090 -11.514 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.990 4.280 -9.889 1.00 0.00 H new ATOM 1082 N LEU A 68 1.311 6.419 -5.651 1.00 0.00 N ATOM 1083 CA LEU A 68 1.543 7.188 -4.409 1.00 0.00 C ATOM 1084 C LEU A 68 2.967 6.922 -3.865 1.00 0.00 C ATOM 1085 O LEU A 68 3.453 7.656 -2.993 1.00 0.00 O ATOM 1086 CB LEU A 68 0.484 6.823 -3.333 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.016 7.041 -3.723 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -1.960 6.752 -2.525 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.255 8.463 -4.290 1.00 0.00 C ATOM 0 H LEU A 68 1.152 5.424 -5.491 1.00 0.00 H new ATOM 0 HA LEU A 68 1.450 8.248 -4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.617 5.775 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.692 7.409 -2.438 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.252 6.327 -4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.994 6.913 -2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.833 5.718 -2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.716 7.422 -1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.307 8.579 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.983 9.205 -3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.643 8.607 -5.180 1.00 0.00 H new ATOM 1101 N GLY A 69 3.616 5.870 -4.390 1.00 0.00 N ATOM 1102 CA GLY A 69 4.935 5.428 -3.929 1.00 0.00 C ATOM 1103 C GLY A 69 4.963 3.920 -3.759 1.00 0.00 C ATOM 1104 O GLY A 69 4.269 3.207 -4.484 1.00 0.00 O ATOM 0 H GLY A 69 3.237 5.303 -5.148 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.698 5.733 -4.645 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.176 5.911 -2.982 1.00 0.00 H new ATOM 1108 N ASN A 70 5.754 3.430 -2.806 1.00 0.00 N ATOM 1109 CA ASN A 70 5.823 1.991 -2.468 1.00 0.00 C ATOM 1110 C ASN A 70 5.013 1.743 -1.196 1.00 0.00 C ATOM 1111 O ASN A 70 4.934 2.617 -0.337 1.00 0.00 O ATOM 1112 CB ASN A 70 7.296 1.533 -2.296 1.00 0.00 C ATOM 1113 CG ASN A 70 8.067 1.408 -3.622 1.00 0.00 C ATOM 1114 OD1 ASN A 70 9.259 1.671 -3.675 1.00 0.00 O ATOM 1115 ND2 ASN A 70 7.402 0.976 -4.687 1.00 0.00 N ATOM 0 H ASN A 70 6.370 4.013 -2.240 1.00 0.00 H new ATOM 0 HA ASN A 70 5.399 1.404 -3.283 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.814 2.242 -1.651 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.310 0.570 -1.786 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.886 0.857 -5.577 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.407 0.764 -4.615 1.00 0.00 H new ATOM 1122 N VAL A 71 4.372 0.570 -1.102 1.00 0.00 N ATOM 1123 CA VAL A 71 3.486 0.209 0.026 1.00 0.00 C ATOM 1124 C VAL A 71 3.883 -1.181 0.577 1.00 0.00 C ATOM 1125 O VAL A 71 4.219 -2.077 -0.205 1.00 0.00 O ATOM 1126 CB VAL A 71 1.979 0.171 -0.458 1.00 0.00 C ATOM 1127 CG1 VAL A 71 0.993 0.022 0.713 1.00 0.00 C ATOM 1128 CG2 VAL A 71 1.621 1.408 -1.315 1.00 0.00 C ATOM 0 H VAL A 71 4.450 -0.163 -1.807 1.00 0.00 H new ATOM 0 HA VAL A 71 3.592 0.957 0.811 1.00 0.00 H new ATOM 0 HB VAL A 71 1.882 -0.716 -1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.027 0.001 0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.199 -0.906 1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.107 0.865 1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.579 1.345 -1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.769 2.313 -0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.263 1.439 -2.196 1.00 0.00 H new ATOM 1138 N ARG A 72 3.836 -1.350 1.919 1.00 0.00 N ATOM 1139 CA ARG A 72 3.999 -2.669 2.564 1.00 0.00 C ATOM 1140 C ARG A 72 2.672 -3.410 2.502 1.00 0.00 C ATOM 1141 O ARG A 72 1.623 -2.805 2.708 1.00 0.00 O ATOM 1142 CB ARG A 72 4.431 -2.560 4.067 1.00 0.00 C ATOM 1143 CG ARG A 72 5.926 -2.326 4.313 1.00 0.00 C ATOM 1144 CD ARG A 72 6.819 -3.432 3.725 1.00 0.00 C ATOM 1145 NE ARG A 72 8.248 -3.110 3.901 1.00 0.00 N ATOM 1146 CZ ARG A 72 9.285 -3.826 3.427 1.00 0.00 C ATOM 1147 NH1 ARG A 72 9.090 -4.972 2.775 1.00 0.00 N ATOM 1148 NH2 ARG A 72 10.524 -3.395 3.612 1.00 0.00 N ATOM 0 H ARG A 72 3.686 -0.585 2.576 1.00 0.00 H new ATOM 0 HA ARG A 72 4.787 -3.198 2.028 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.874 -1.745 4.528 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.136 -3.477 4.578 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.213 -1.368 3.880 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.104 -2.257 5.386 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.594 -4.382 4.211 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.599 -3.556 2.665 1.00 0.00 H new ATOM 0 HE ARG A 72 8.471 -2.267 4.431 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.143 -5.320 2.628 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.888 -5.501 2.423 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.691 -2.522 4.113 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.311 -3.936 3.254 1.00 0.00 H new ATOM 1162 N VAL A 73 2.725 -4.712 2.221 1.00 0.00 N ATOM 1163 CA VAL A 73 1.571 -5.602 2.338 1.00 0.00 C ATOM 1164 C VAL A 73 1.487 -6.065 3.809 1.00 0.00 C ATOM 1165 O VAL A 73 2.291 -6.887 4.262 1.00 0.00 O ATOM 1166 CB VAL A 73 1.702 -6.821 1.351 1.00 0.00 C ATOM 1167 CG1 VAL A 73 0.501 -7.784 1.461 1.00 0.00 C ATOM 1168 CG2 VAL A 73 1.891 -6.327 -0.106 1.00 0.00 C ATOM 0 H VAL A 73 3.574 -5.181 1.904 1.00 0.00 H new ATOM 0 HA VAL A 73 0.654 -5.080 2.063 1.00 0.00 H new ATOM 0 HB VAL A 73 2.589 -7.384 1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.632 -8.611 0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.439 -8.174 2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.418 -7.249 1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.980 -7.185 -0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.031 -5.726 -0.401 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.796 -5.722 -0.171 1.00 0.00 H new ATOM 1178 N THR A 74 0.543 -5.483 4.561 1.00 0.00 N ATOM 1179 CA THR A 74 0.448 -5.666 6.022 1.00 0.00 C ATOM 1180 C THR A 74 -0.630 -6.699 6.374 1.00 0.00 C ATOM 1181 O THR A 74 -0.676 -7.208 7.498 1.00 0.00 O ATOM 1182 CB THR A 74 0.139 -4.304 6.716 1.00 0.00 C ATOM 1183 OG1 THR A 74 -1.097 -3.767 6.214 1.00 0.00 O ATOM 1184 CG2 THR A 74 1.265 -3.282 6.475 1.00 0.00 C ATOM 0 H THR A 74 -0.178 -4.872 4.177 1.00 0.00 H new ATOM 0 HA THR A 74 1.407 -6.037 6.384 1.00 0.00 H new ATOM 0 HB THR A 74 0.060 -4.489 7.787 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.286 -2.913 6.655 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.018 -2.344 6.972 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.201 -3.670 6.877 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.375 -3.107 5.405 1.00 0.00 H new ATOM 1192 N SER A 75 -1.514 -6.972 5.402 1.00 0.00 N ATOM 1193 CA SER A 75 -2.572 -7.983 5.516 1.00 0.00 C ATOM 1194 C SER A 75 -2.377 -9.072 4.443 1.00 0.00 C ATOM 1195 O SER A 75 -1.425 -9.010 3.653 1.00 0.00 O ATOM 1196 CB SER A 75 -3.935 -7.282 5.369 1.00 0.00 C ATOM 1197 OG SER A 75 -4.004 -6.565 4.154 1.00 0.00 O ATOM 0 H SER A 75 -1.512 -6.489 4.503 1.00 0.00 H new ATOM 0 HA SER A 75 -2.530 -8.473 6.489 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.735 -8.022 5.405 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.091 -6.602 6.207 1.00 0.00 H new ATOM 0 HG SER A 75 -3.368 -5.820 4.177 1.00 0.00 H new ATOM 1203 N ARG A 76 -3.272 -10.077 4.428 1.00 0.00 N ATOM 1204 CA ARG A 76 -3.214 -11.190 3.467 1.00 0.00 C ATOM 1205 C ARG A 76 -3.775 -10.752 2.088 1.00 0.00 C ATOM 1206 O ARG A 76 -4.631 -9.857 2.021 1.00 0.00 O ATOM 1207 CB ARG A 76 -3.990 -12.427 4.019 1.00 0.00 C ATOM 1208 CG ARG A 76 -5.526 -12.274 4.112 1.00 0.00 C ATOM 1209 CD ARG A 76 -6.206 -13.557 4.625 1.00 0.00 C ATOM 1210 NE ARG A 76 -5.763 -13.910 5.990 1.00 0.00 N ATOM 1211 CZ ARG A 76 -5.560 -15.164 6.454 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -5.748 -16.228 5.681 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -5.162 -15.338 7.702 1.00 0.00 N ATOM 0 H ARG A 76 -4.053 -10.139 5.081 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.171 -11.476 3.330 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.767 -13.284 3.384 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.606 -12.658 5.013 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.768 -11.445 4.777 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.925 -12.021 3.130 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.288 -13.422 4.618 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.984 -14.381 3.947 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.596 -13.141 6.639 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.052 -16.109 4.715 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.588 -17.164 6.054 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.011 -14.530 8.306 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.006 -16.280 8.061 1.00 0.00 H new ATOM 1227 N PRO A 77 -3.301 -11.376 0.953 1.00 0.00 N ATOM 1228 CA PRO A 77 -3.753 -11.012 -0.418 1.00 0.00 C ATOM 1229 C PRO A 77 -5.156 -11.547 -0.797 1.00 0.00 C ATOM 1230 O PRO A 77 -5.509 -11.563 -1.984 1.00 0.00 O ATOM 1231 CB PRO A 77 -2.662 -11.651 -1.307 1.00 0.00 C ATOM 1232 CG PRO A 77 -2.235 -12.866 -0.545 1.00 0.00 C ATOM 1233 CD PRO A 77 -2.263 -12.452 0.911 1.00 0.00 C ATOM 0 HA PRO A 77 -3.864 -9.933 -0.527 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.052 -11.914 -2.290 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.828 -10.968 -1.468 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.908 -13.703 -0.729 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.237 -13.188 -0.844 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -2.526 -13.287 1.560 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.292 -12.085 1.242 1.00 0.00 H new ATOM 1241 N GLY A 78 -5.945 -11.974 0.206 1.00 0.00 N ATOM 1242 CA GLY A 78 -7.275 -12.534 -0.029 1.00 0.00 C ATOM 1243 C GLY A 78 -8.206 -12.312 1.146 1.00 0.00 C ATOM 1244 O GLY A 78 -8.709 -13.269 1.742 1.00 0.00 O ATOM 0 H GLY A 78 -5.676 -11.939 1.189 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.705 -12.081 -0.922 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.188 -13.603 -0.224 1.00 0.00 H new ATOM 1248 N GLN A 79 -8.408 -11.039 1.486 1.00 0.00 N ATOM 1249 CA GLN A 79 -9.415 -10.602 2.472 1.00 0.00 C ATOM 1250 C GLN A 79 -10.407 -9.678 1.738 1.00 0.00 C ATOM 1251 O GLN A 79 -10.023 -8.602 1.267 1.00 0.00 O ATOM 1252 CB GLN A 79 -8.738 -9.895 3.675 1.00 0.00 C ATOM 1253 CG GLN A 79 -7.749 -8.761 3.305 1.00 0.00 C ATOM 1254 CD GLN A 79 -7.335 -7.891 4.489 1.00 0.00 C ATOM 1255 OE1 GLN A 79 -7.248 -8.362 5.621 1.00 0.00 O ATOM 1256 NE2 GLN A 79 -7.052 -6.629 4.227 1.00 0.00 N ATOM 0 H GLN A 79 -7.875 -10.268 1.084 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.950 -11.456 2.887 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.516 -9.481 4.317 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.205 -10.643 4.262 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.856 -9.201 2.861 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.205 -8.128 2.544 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.136 -6.275 3.274 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.749 -6.008 4.977 1.00 0.00 H new ATOM 1265 N ASP A 80 -11.657 -10.170 1.549 1.00 0.00 N ATOM 1266 CA ASP A 80 -12.694 -9.533 0.680 1.00 0.00 C ATOM 1267 C ASP A 80 -12.289 -9.603 -0.828 1.00 0.00 C ATOM 1268 O ASP A 80 -13.058 -9.210 -1.712 1.00 0.00 O ATOM 1269 CB ASP A 80 -13.000 -8.067 1.156 1.00 0.00 C ATOM 1270 CG ASP A 80 -14.064 -7.312 0.326 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -15.263 -7.668 0.401 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -13.712 -6.340 -0.390 1.00 0.00 O ATOM 0 H ASP A 80 -11.982 -11.027 1.997 1.00 0.00 H new ATOM 0 HA ASP A 80 -13.621 -10.098 0.779 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -13.330 -8.101 2.194 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.073 -7.494 1.135 1.00 0.00 H new ATOM 1277 N GLY A 81 -11.101 -10.176 -1.113 1.00 0.00 N ATOM 1278 CA GLY A 81 -10.530 -10.211 -2.448 1.00 0.00 C ATOM 1279 C GLY A 81 -9.552 -9.080 -2.695 1.00 0.00 C ATOM 1280 O GLY A 81 -9.057 -8.942 -3.810 1.00 0.00 O ATOM 0 H GLY A 81 -10.518 -10.627 -0.408 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.022 -11.164 -2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.333 -10.159 -3.184 1.00 0.00 H new ATOM 1284 N VAL A 82 -9.253 -8.291 -1.648 1.00 0.00 N ATOM 1285 CA VAL A 82 -8.393 -7.089 -1.751 1.00 0.00 C ATOM 1286 C VAL A 82 -7.229 -7.147 -0.728 1.00 0.00 C ATOM 1287 O VAL A 82 -7.245 -7.965 0.201 1.00 0.00 O ATOM 1288 CB VAL A 82 -9.255 -5.772 -1.564 1.00 0.00 C ATOM 1289 CG1 VAL A 82 -9.822 -5.646 -0.135 1.00 0.00 C ATOM 1290 CG2 VAL A 82 -8.478 -4.495 -1.970 1.00 0.00 C ATOM 0 H VAL A 82 -9.599 -8.465 -0.704 1.00 0.00 H new ATOM 0 HA VAL A 82 -7.953 -7.068 -2.748 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.101 -5.866 -2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.405 -4.729 -0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.461 -6.502 0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.001 -5.618 0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.112 -3.621 -1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.584 -4.402 -1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.190 -4.562 -3.019 1.00 0.00 H new ATOM 1300 N ILE A 83 -6.208 -6.291 -0.942 1.00 0.00 N ATOM 1301 CA ILE A 83 -5.028 -6.164 -0.067 1.00 0.00 C ATOM 1302 C ILE A 83 -5.104 -4.805 0.674 1.00 0.00 C ATOM 1303 O ILE A 83 -5.626 -3.831 0.123 1.00 0.00 O ATOM 1304 CB ILE A 83 -3.672 -6.227 -0.896 1.00 0.00 C ATOM 1305 CG1 ILE A 83 -3.553 -7.528 -1.758 1.00 0.00 C ATOM 1306 CG2 ILE A 83 -2.439 -6.112 0.036 1.00 0.00 C ATOM 1307 CD1 ILE A 83 -4.400 -7.572 -3.018 1.00 0.00 C ATOM 0 H ILE A 83 -6.182 -5.659 -1.742 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.032 -6.996 0.638 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.695 -5.375 -1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.509 -7.658 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.822 -8.380 -1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.527 -6.158 -0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.475 -5.163 0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.447 -6.933 0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.236 -8.518 -3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.453 -7.481 -2.752 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.119 -6.748 -3.674 1.00 0.00 H new ATOM 1319 N ASN A 84 -4.600 -4.750 1.921 1.00 0.00 N ATOM 1320 CA ASN A 84 -4.396 -3.482 2.671 1.00 0.00 C ATOM 1321 C ASN A 84 -2.904 -3.326 3.012 1.00 0.00 C ATOM 1322 O ASN A 84 -2.171 -4.328 3.116 1.00 0.00 O ATOM 1323 CB ASN A 84 -5.234 -3.440 3.982 1.00 0.00 C ATOM 1324 CG ASN A 84 -6.749 -3.433 3.766 1.00 0.00 C ATOM 1325 OD1 ASN A 84 -7.270 -4.025 2.820 1.00 0.00 O ATOM 1326 ND2 ASN A 84 -7.474 -2.750 4.643 1.00 0.00 N ATOM 0 H ASN A 84 -4.320 -5.580 2.443 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.730 -2.661 2.036 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.971 -4.302 4.594 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -4.956 -2.551 4.548 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.488 -2.706 4.542 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.017 -2.269 5.418 1.00 0.00 H new ATOM 1333 N GLY A 85 -2.462 -2.073 3.222 1.00 0.00 N ATOM 1334 CA GLY A 85 -1.057 -1.790 3.473 1.00 0.00 C ATOM 1335 C GLY A 85 -0.793 -0.391 3.998 1.00 0.00 C ATOM 1336 O GLY A 85 -1.732 0.355 4.275 1.00 0.00 O ATOM 0 H GLY A 85 -3.064 -1.249 3.221 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.674 -2.515 4.191 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.498 -1.931 2.548 1.00 0.00 H new ATOM 1340 N VAL A 86 0.505 -0.042 4.151 1.00 0.00 N ATOM 1341 CA VAL A 86 0.945 1.294 4.653 1.00 0.00 C ATOM 1342 C VAL A 86 2.023 1.889 3.725 1.00 0.00 C ATOM 1343 O VAL A 86 2.895 1.161 3.236 1.00 0.00 O ATOM 1344 CB VAL A 86 1.475 1.251 6.142 1.00 0.00 C ATOM 1345 CG1 VAL A 86 0.330 0.996 7.153 1.00 0.00 C ATOM 1346 CG2 VAL A 86 2.606 0.206 6.307 1.00 0.00 C ATOM 0 H VAL A 86 1.279 -0.670 3.933 1.00 0.00 H new ATOM 0 HA VAL A 86 0.062 1.933 4.649 1.00 0.00 H new ATOM 0 HB VAL A 86 1.892 2.234 6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.736 0.974 8.164 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.408 1.794 7.076 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.145 0.040 6.931 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.949 0.201 7.342 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.229 -0.783 6.045 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.437 0.463 5.651 1.00 0.00 H new ATOM 1356 N LEU A 87 1.951 3.213 3.480 1.00 0.00 N ATOM 1357 CA LEU A 87 2.814 3.893 2.496 1.00 0.00 C ATOM 1358 C LEU A 87 4.256 4.077 3.032 1.00 0.00 C ATOM 1359 O LEU A 87 4.495 4.821 3.988 1.00 0.00 O ATOM 1360 CB LEU A 87 2.214 5.267 2.098 1.00 0.00 C ATOM 1361 CG LEU A 87 2.923 5.995 0.905 1.00 0.00 C ATOM 1362 CD1 LEU A 87 2.836 5.168 -0.403 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.341 7.406 0.690 1.00 0.00 C ATOM 0 H LEU A 87 1.298 3.836 3.955 1.00 0.00 H new ATOM 0 HA LEU A 87 2.862 3.258 1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.164 5.124 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.243 5.922 2.969 1.00 0.00 H new ATOM 0 HG LEU A 87 3.976 6.093 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.339 5.705 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.318 4.202 -0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.790 5.015 -0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.852 7.887 -0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.276 7.331 0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.482 7.999 1.593 1.00 0.00 H new ATOM 1375 N ILE A 88 5.199 3.368 2.397 1.00 0.00 N ATOM 1376 CA ILE A 88 6.649 3.412 2.704 1.00 0.00 C ATOM 1377 C ILE A 88 7.423 4.110 1.562 1.00 0.00 C ATOM 1378 O ILE A 88 6.825 4.525 0.562 1.00 0.00 O ATOM 1379 CB ILE A 88 7.198 1.948 2.911 1.00 0.00 C ATOM 1380 CG1 ILE A 88 7.027 1.125 1.590 1.00 0.00 C ATOM 1381 CG2 ILE A 88 6.503 1.260 4.113 1.00 0.00 C ATOM 1382 CD1 ILE A 88 7.283 -0.365 1.685 1.00 0.00 C ATOM 0 H ILE A 88 4.976 2.729 1.634 1.00 0.00 H new ATOM 0 HA ILE A 88 6.795 3.982 3.621 1.00 0.00 H new ATOM 0 HB ILE A 88 8.261 1.997 3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.011 1.274 1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.700 1.540 0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.899 0.252 4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.691 1.835 5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.429 1.208 3.932 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.133 -0.823 0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.308 -0.538 2.013 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.593 -0.808 2.403 1.00 0.00 H new ATOM 1394 N ARG A 89 8.758 4.235 1.727 1.00 0.00 N ATOM 1395 CA ARG A 89 9.643 4.892 0.741 1.00 0.00 C ATOM 1396 C ARG A 89 10.877 3.988 0.472 1.00 0.00 C ATOM 1397 O ARG A 89 12.015 4.370 0.785 1.00 0.00 O ATOM 1398 CB ARG A 89 10.106 6.305 1.258 1.00 0.00 C ATOM 1399 CG ARG A 89 8.993 7.296 1.690 1.00 0.00 C ATOM 1400 CD ARG A 89 7.974 7.584 0.569 1.00 0.00 C ATOM 1401 NE ARG A 89 6.931 8.551 0.965 1.00 0.00 N ATOM 1402 CZ ARG A 89 5.957 8.343 1.883 1.00 0.00 C ATOM 1403 NH1 ARG A 89 5.890 7.212 2.592 1.00 0.00 N ATOM 1404 NH2 ARG A 89 5.053 9.289 2.085 1.00 0.00 N ATOM 0 H ARG A 89 9.252 3.883 2.547 1.00 0.00 H new ATOM 0 HA ARG A 89 9.090 5.037 -0.187 1.00 0.00 H new ATOM 0 HB2 ARG A 89 10.773 6.153 2.107 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.694 6.778 0.471 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.468 6.890 2.555 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.451 8.233 2.006 1.00 0.00 H new ATOM 0 HD2 ARG A 89 8.503 7.967 -0.304 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.499 6.650 0.270 1.00 0.00 H new ATOM 0 HE ARG A 89 6.945 9.461 0.504 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.584 6.478 2.448 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.145 7.083 3.277 1.00 0.00 H new ATOM 0 HH21 ARG A 89 5.097 10.158 1.553 1.00 0.00 H new ATOM 0 HH22 ARG A 89 4.313 9.149 2.773 1.00 0.00 H new ATOM 1418 N GLU A 90 10.648 2.766 -0.071 1.00 0.00 N ATOM 1419 CA GLU A 90 11.753 1.828 -0.421 1.00 0.00 C ATOM 1420 C GLU A 90 12.552 2.376 -1.598 1.00 0.00 C ATOM 1421 O GLU A 90 13.752 2.647 -1.492 1.00 0.00 O ATOM 1422 CB GLU A 90 11.217 0.414 -0.778 1.00 0.00 C ATOM 1423 CG GLU A 90 10.416 -0.272 0.330 1.00 0.00 C ATOM 1424 CD GLU A 90 11.164 -0.377 1.670 1.00 0.00 C ATOM 1425 OE1 GLU A 90 12.113 -1.176 1.767 1.00 0.00 O ATOM 1426 OE2 GLU A 90 10.810 0.345 2.626 1.00 0.00 O ATOM 0 H GLU A 90 9.716 2.406 -0.276 1.00 0.00 H new ATOM 0 HA GLU A 90 12.395 1.738 0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.588 0.493 -1.665 1.00 0.00 H new ATOM 0 HB3 GLU A 90 12.062 -0.222 -1.042 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.487 0.277 0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.142 -1.274 -0.001 1.00 0.00 H new ATOM 1433 N LEU A 91 11.860 2.497 -2.723 1.00 0.00 N ATOM 1434 CA LEU A 91 12.369 3.152 -3.924 1.00 0.00 C ATOM 1435 C LEU A 91 11.663 4.509 -4.019 1.00 0.00 C ATOM 1436 O LEU A 91 10.426 4.560 -3.926 1.00 0.00 O ATOM 1437 CB LEU A 91 12.071 2.281 -5.173 1.00 0.00 C ATOM 1438 CG LEU A 91 12.622 0.822 -5.156 1.00 0.00 C ATOM 1439 CD1 LEU A 91 12.128 0.025 -6.383 1.00 0.00 C ATOM 1440 CD2 LEU A 91 14.162 0.821 -5.071 1.00 0.00 C ATOM 0 H LEU A 91 10.912 2.137 -2.830 1.00 0.00 H new ATOM 0 HA LEU A 91 13.450 3.287 -3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 91 10.990 2.235 -5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 91 12.479 2.789 -6.047 1.00 0.00 H new ATOM 0 HG LEU A 91 12.236 0.325 -4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.528 -0.988 -6.344 1.00 0.00 H new ATOM 0 HD12 LEU A 91 11.039 -0.015 -6.377 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.468 0.514 -7.296 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.525 -0.207 -5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.574 1.343 -5.935 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.476 1.326 -4.158 1.00 0.00 H new