USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 411 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 72 ASN : amide:sc= -1.79! K(o=-1.8!,f=-3) USER MOD Set 1.2: A 75 MET CE :methyl 140:sc= -0.056 (180deg=-0.523) USER MOD Set 2.1: A 73 GLN : amide:sc= 1.98 K(o=3.3,f=-4.7) USER MOD Set 2.2: A 76 LYS NZ :NH3+ 165:sc= 1.29 (180deg=0) USER MOD Set 3.1: A 44 GLN : amide:sc= 1.04 K(o=1.3,f=0.33) USER MOD Set 3.2: A 48 SER OG : rot 107:sc= 0.155 USER MOD Set 3.3: A 51 GLN : amide:sc= 0.0685 K(o=1.3,f=0.33) USER MOD Set 4.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 35 CYS SG : rot 87:sc= 0.255 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0532 X(o=-0.053,f=-0.51) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 42 GLN : amide:sc= -0.026 X(o=-0.026,f=-0.093) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 120:sc= 0.311 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 52 MET CE :methyl 164:sc= -0.221 (180deg=-0.71) USER MOD Single : A 53 GLN : amide:sc= -0.945 K(o=-0.95,f=0) USER MOD Single : A 56 SER OG : rot 77:sc= -0.0126 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.356 K(o=-0.36,f=-1.1) USER MOD Single : A 62 SER OG : rot 170:sc= -0.0869 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -2.7! C(o=-2.7!,f=-8!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 114:sc= 1.28 USER MOD Single : A 71 GLN : amide:sc= -0.532 X(o=-0.53,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 478 N SER A 30 9.095 0.642 4.755 1.00 0.00 N ATOM 479 CA SER A 30 9.387 1.697 5.708 1.00 0.00 C ATOM 480 C SER A 30 8.120 2.023 6.496 1.00 0.00 C ATOM 481 O SER A 30 7.009 1.845 5.985 1.00 0.00 O ATOM 482 CB SER A 30 9.899 2.937 4.962 1.00 0.00 C ATOM 483 OG SER A 30 10.020 4.058 5.820 1.00 0.00 O ATOM 0 HA SER A 30 10.160 1.370 6.403 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.868 2.717 4.514 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.218 3.177 4.146 1.00 0.00 H new ATOM 0 HG SER A 30 10.350 4.827 5.309 1.00 0.00 H new ATOM 489 N SER A 31 8.280 2.509 7.720 1.00 0.00 N ATOM 490 CA SER A 31 7.138 2.804 8.572 1.00 0.00 C ATOM 491 C SER A 31 6.254 3.855 7.912 1.00 0.00 C ATOM 492 O SER A 31 5.031 3.785 7.980 1.00 0.00 O ATOM 493 CB SER A 31 7.603 3.277 9.952 1.00 0.00 C ATOM 494 OG SER A 31 6.508 3.438 10.837 1.00 0.00 O ATOM 0 H SER A 31 9.187 2.706 8.143 1.00 0.00 H new ATOM 0 HA SER A 31 6.556 1.892 8.706 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.307 2.556 10.368 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.136 4.223 9.854 1.00 0.00 H new ATOM 0 HG SER A 31 6.835 3.739 11.710 1.00 0.00 H new ATOM 500 N THR A 32 6.882 4.808 7.242 1.00 0.00 N ATOM 501 CA THR A 32 6.154 5.853 6.550 1.00 0.00 C ATOM 502 C THR A 32 5.353 5.264 5.388 1.00 0.00 C ATOM 503 O THR A 32 4.201 5.626 5.174 1.00 0.00 O ATOM 504 CB THR A 32 7.116 6.932 6.021 1.00 0.00 C ATOM 505 OG1 THR A 32 8.134 7.195 7.003 1.00 0.00 O ATOM 506 CG2 THR A 32 6.367 8.219 5.705 1.00 0.00 C ATOM 0 H THR A 32 7.897 4.877 7.164 1.00 0.00 H new ATOM 0 HA THR A 32 5.468 6.313 7.261 1.00 0.00 H new ATOM 0 HB THR A 32 7.575 6.565 5.103 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.746 7.881 6.664 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.068 8.966 5.333 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.610 8.022 4.946 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.886 8.592 6.609 1.00 0.00 H new ATOM 514 N GLN A 33 5.961 4.327 4.666 1.00 0.00 N ATOM 515 CA GLN A 33 5.314 3.705 3.520 1.00 0.00 C ATOM 516 C GLN A 33 4.109 2.884 3.962 1.00 0.00 C ATOM 517 O GLN A 33 3.010 3.055 3.435 1.00 0.00 O ATOM 518 CB GLN A 33 6.309 2.823 2.763 1.00 0.00 C ATOM 519 CG GLN A 33 7.383 3.607 2.023 1.00 0.00 C ATOM 520 CD GLN A 33 8.486 2.719 1.485 1.00 0.00 C ATOM 521 OE1 GLN A 33 8.266 1.544 1.199 1.00 0.00 O ATOM 522 NE2 GLN A 33 9.677 3.275 1.333 1.00 0.00 N ATOM 0 H GLN A 33 6.902 3.983 4.856 1.00 0.00 H new ATOM 0 HA GLN A 33 4.966 4.493 2.852 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.788 2.144 3.468 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.764 2.207 2.048 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.926 4.152 1.198 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.814 4.349 2.695 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.818 4.254 1.582 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.454 2.725 0.966 1.00 0.00 H new ATOM 531 N LEU A 34 4.321 2.014 4.947 1.00 0.00 N ATOM 532 CA LEU A 34 3.253 1.166 5.473 1.00 0.00 C ATOM 533 C LEU A 34 2.099 1.998 6.026 1.00 0.00 C ATOM 534 O LEU A 34 0.941 1.785 5.661 1.00 0.00 O ATOM 535 CB LEU A 34 3.791 0.248 6.575 1.00 0.00 C ATOM 536 CG LEU A 34 4.742 -0.854 6.110 1.00 0.00 C ATOM 537 CD1 LEU A 34 5.289 -1.614 7.308 1.00 0.00 C ATOM 538 CD2 LEU A 34 4.025 -1.807 5.165 1.00 0.00 C ATOM 0 H LEU A 34 5.225 1.877 5.398 1.00 0.00 H new ATOM 0 HA LEU A 34 2.879 0.563 4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.307 0.861 7.314 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.945 -0.217 7.081 1.00 0.00 H new ATOM 0 HG LEU A 34 5.574 -0.395 5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.965 -2.397 6.964 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.830 -0.927 7.959 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.464 -2.064 7.861 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.715 -2.587 4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.179 -2.262 5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.667 -1.256 4.295 1.00 0.00 H new ATOM 550 N CYS A 35 2.419 2.970 6.873 1.00 0.00 N ATOM 551 CA CYS A 35 1.393 3.735 7.566 1.00 0.00 C ATOM 552 C CYS A 35 0.602 4.623 6.613 1.00 0.00 C ATOM 553 O CYS A 35 -0.579 4.874 6.843 1.00 0.00 O ATOM 554 CB CYS A 35 2.009 4.552 8.698 1.00 0.00 C ATOM 555 SG CYS A 35 2.754 3.517 9.978 1.00 0.00 S ATOM 0 H CYS A 35 3.376 3.245 7.095 1.00 0.00 H new ATOM 0 HA CYS A 35 0.687 3.025 7.997 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.768 5.219 8.288 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.240 5.181 9.147 1.00 0.00 H new ATOM 0 HG CYS A 35 3.984 3.246 9.655 1.00 0.00 H new ATOM 561 N VAL A 36 1.238 5.090 5.543 1.00 0.00 N ATOM 562 CA VAL A 36 0.525 5.851 4.523 1.00 0.00 C ATOM 563 C VAL A 36 -0.490 4.956 3.813 1.00 0.00 C ATOM 564 O VAL A 36 -1.645 5.340 3.629 1.00 0.00 O ATOM 565 CB VAL A 36 1.488 6.492 3.491 1.00 0.00 C ATOM 566 CG1 VAL A 36 0.725 7.024 2.283 1.00 0.00 C ATOM 567 CG2 VAL A 36 2.279 7.620 4.137 1.00 0.00 C ATOM 0 H VAL A 36 2.233 4.957 5.361 1.00 0.00 H new ATOM 0 HA VAL A 36 0.003 6.664 5.028 1.00 0.00 H new ATOM 0 HB VAL A 36 2.176 5.718 3.150 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.426 7.468 1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.192 6.205 1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.010 7.780 2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.951 8.061 3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.592 8.383 4.504 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.861 7.226 4.970 1.00 0.00 H new ATOM 577 N LEU A 37 -0.059 3.752 3.446 1.00 0.00 N ATOM 578 CA LEU A 37 -0.936 2.793 2.778 1.00 0.00 C ATOM 579 C LEU A 37 -2.081 2.387 3.700 1.00 0.00 C ATOM 580 O LEU A 37 -3.240 2.336 3.284 1.00 0.00 O ATOM 581 CB LEU A 37 -0.143 1.557 2.342 1.00 0.00 C ATOM 582 CG LEU A 37 0.987 1.823 1.346 1.00 0.00 C ATOM 583 CD1 LEU A 37 1.768 0.549 1.080 1.00 0.00 C ATOM 584 CD2 LEU A 37 0.434 2.384 0.046 1.00 0.00 C ATOM 0 H LEU A 37 0.892 3.417 3.600 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.355 3.269 1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.280 1.086 3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.834 0.840 1.899 1.00 0.00 H new ATOM 0 HG LEU A 37 1.661 2.561 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.569 0.755 0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.196 0.183 2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.101 -0.207 0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.253 2.566 -0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.261 1.668 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.087 3.320 0.246 1.00 0.00 H new ATOM 596 N ASN A 38 -1.746 2.123 4.959 1.00 0.00 N ATOM 597 CA ASN A 38 -2.732 1.775 5.973 1.00 0.00 C ATOM 598 C ASN A 38 -3.730 2.902 6.147 1.00 0.00 C ATOM 599 O ASN A 38 -4.937 2.678 6.115 1.00 0.00 O ATOM 600 CB ASN A 38 -2.028 1.475 7.305 1.00 0.00 C ATOM 601 CG ASN A 38 -2.977 1.411 8.492 1.00 0.00 C ATOM 602 OD1 ASN A 38 -3.259 2.427 9.133 1.00 0.00 O ATOM 603 ND2 ASN A 38 -3.443 0.219 8.820 1.00 0.00 N ATOM 0 H ASN A 38 -0.786 2.144 5.303 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.271 0.884 5.650 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.499 0.526 7.221 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.277 2.243 7.491 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.058 0.116 9.627 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.188 -0.598 8.266 1.00 0.00 H new ATOM 610 N ASP A 39 -3.211 4.111 6.301 1.00 0.00 N ATOM 611 CA ASP A 39 -4.042 5.274 6.550 1.00 0.00 C ATOM 612 C ASP A 39 -5.081 5.450 5.453 1.00 0.00 C ATOM 613 O ASP A 39 -6.268 5.579 5.737 1.00 0.00 O ATOM 614 CB ASP A 39 -3.187 6.538 6.661 1.00 0.00 C ATOM 615 CG ASP A 39 -4.012 7.764 6.986 1.00 0.00 C ATOM 616 OD1 ASP A 39 -4.588 8.365 6.056 1.00 0.00 O ATOM 617 OD2 ASP A 39 -4.090 8.130 8.176 1.00 0.00 O ATOM 0 H ASP A 39 -2.212 4.310 6.257 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.559 5.112 7.496 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.432 6.396 7.434 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.656 6.698 5.722 1.00 0.00 H new ATOM 622 N ARG A 40 -4.635 5.416 4.202 1.00 0.00 N ATOM 623 CA ARG A 40 -5.519 5.670 3.071 1.00 0.00 C ATOM 624 C ARG A 40 -6.629 4.631 2.995 1.00 0.00 C ATOM 625 O ARG A 40 -7.779 4.970 2.730 1.00 0.00 O ATOM 626 CB ARG A 40 -4.744 5.692 1.755 1.00 0.00 C ATOM 627 CG ARG A 40 -3.541 6.619 1.759 1.00 0.00 C ATOM 628 CD ARG A 40 -3.856 7.975 2.377 1.00 0.00 C ATOM 629 NE ARG A 40 -2.715 8.885 2.285 1.00 0.00 N ATOM 630 CZ ARG A 40 -2.277 9.652 3.288 1.00 0.00 C ATOM 631 NH1 ARG A 40 -2.877 9.631 4.473 1.00 0.00 N ATOM 632 NH2 ARG A 40 -1.226 10.441 3.102 1.00 0.00 N ATOM 0 H ARG A 40 -3.668 5.215 3.946 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.967 6.651 3.229 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.409 4.680 1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.419 5.993 0.954 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.727 6.151 2.312 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.192 6.761 0.736 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.715 8.415 1.871 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.134 7.843 3.423 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.220 8.938 1.395 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.682 9.024 4.626 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.532 10.222 5.230 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.756 10.460 2.197 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.888 11.028 3.864 1.00 0.00 H new ATOM 646 N PHE A 41 -6.288 3.370 3.245 1.00 0.00 N ATOM 647 CA PHE A 41 -7.278 2.297 3.220 1.00 0.00 C ATOM 648 C PHE A 41 -8.214 2.384 4.425 1.00 0.00 C ATOM 649 O PHE A 41 -9.325 1.853 4.403 1.00 0.00 O ATOM 650 CB PHE A 41 -6.599 0.930 3.159 1.00 0.00 C ATOM 651 CG PHE A 41 -6.068 0.626 1.789 1.00 0.00 C ATOM 652 CD1 PHE A 41 -6.863 0.844 0.678 1.00 0.00 C ATOM 653 CD2 PHE A 41 -4.786 0.132 1.606 1.00 0.00 C ATOM 654 CE1 PHE A 41 -6.398 0.580 -0.586 1.00 0.00 C ATOM 655 CE2 PHE A 41 -4.312 -0.136 0.334 1.00 0.00 C ATOM 656 CZ PHE A 41 -5.121 0.087 -0.764 1.00 0.00 C ATOM 0 H PHE A 41 -5.340 3.067 3.466 1.00 0.00 H new ATOM 0 HA PHE A 41 -7.879 2.418 2.319 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.782 0.899 3.880 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.311 0.158 3.451 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.864 1.228 0.807 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.152 -0.045 2.463 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.032 0.758 -1.442 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.311 -0.519 0.199 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.755 -0.124 -1.758 1.00 0.00 H new ATOM 666 N GLN A 42 -7.750 3.043 5.479 1.00 0.00 N ATOM 667 CA GLN A 42 -8.586 3.303 6.650 1.00 0.00 C ATOM 668 C GLN A 42 -9.507 4.502 6.406 1.00 0.00 C ATOM 669 O GLN A 42 -10.562 4.625 7.030 1.00 0.00 O ATOM 670 CB GLN A 42 -7.721 3.553 7.891 1.00 0.00 C ATOM 671 CG GLN A 42 -6.934 2.335 8.348 1.00 0.00 C ATOM 672 CD GLN A 42 -7.814 1.236 8.908 1.00 0.00 C ATOM 673 OE1 GLN A 42 -8.286 0.360 8.180 1.00 0.00 O ATOM 674 NE2 GLN A 42 -8.031 1.268 10.210 1.00 0.00 N ATOM 0 H GLN A 42 -6.800 3.408 5.550 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.201 2.420 6.823 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.025 4.365 7.679 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.362 3.887 8.707 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.363 1.942 7.507 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.214 2.639 9.108 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.622 2.010 10.777 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.608 0.550 10.649 1.00 0.00 H new ATOM 683 N ARG A 43 -9.097 5.393 5.509 1.00 0.00 N ATOM 684 CA ARG A 43 -9.914 6.549 5.153 1.00 0.00 C ATOM 685 C ARG A 43 -10.940 6.160 4.102 1.00 0.00 C ATOM 686 O ARG A 43 -12.136 6.419 4.248 1.00 0.00 O ATOM 687 CB ARG A 43 -9.053 7.685 4.590 1.00 0.00 C ATOM 688 CG ARG A 43 -7.847 8.039 5.435 1.00 0.00 C ATOM 689 CD ARG A 43 -8.237 8.555 6.805 1.00 0.00 C ATOM 690 NE ARG A 43 -7.058 8.775 7.634 1.00 0.00 N ATOM 691 CZ ARG A 43 -7.081 9.298 8.856 1.00 0.00 C ATOM 692 NH1 ARG A 43 -8.220 9.731 9.383 1.00 0.00 N ATOM 693 NH2 ARG A 43 -5.953 9.401 9.539 1.00 0.00 N ATOM 0 H ARG A 43 -8.206 5.338 5.016 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.411 6.891 6.061 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.712 7.406 3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.675 8.573 4.477 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.214 7.159 5.547 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.254 8.795 4.920 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.793 9.487 6.702 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.900 7.840 7.292 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.152 8.509 7.249 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.087 9.664 8.850 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.228 10.131 10.321 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.076 9.081 9.127 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.960 9.801 10.477 1.00 0.00 H new ATOM 707 N GLN A 44 -10.459 5.517 3.050 1.00 0.00 N ATOM 708 CA GLN A 44 -11.275 5.211 1.888 1.00 0.00 C ATOM 709 C GLN A 44 -11.192 3.723 1.570 1.00 0.00 C ATOM 710 O GLN A 44 -10.198 3.075 1.891 1.00 0.00 O ATOM 711 CB GLN A 44 -10.789 6.045 0.698 1.00 0.00 C ATOM 712 CG GLN A 44 -11.675 5.973 -0.535 1.00 0.00 C ATOM 713 CD GLN A 44 -11.157 6.852 -1.659 1.00 0.00 C ATOM 714 OE1 GLN A 44 -9.952 7.077 -1.780 1.00 0.00 O ATOM 715 NE2 GLN A 44 -12.056 7.356 -2.487 1.00 0.00 N ATOM 0 H GLN A 44 -9.494 5.194 2.978 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.316 5.458 2.095 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.709 7.086 1.010 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -9.786 5.716 0.427 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -11.734 4.941 -0.880 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -12.688 6.279 -0.272 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -13.045 7.147 -2.354 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.760 7.954 -3.259 1.00 0.00 H new ATOM 724 N LYS A 45 -12.234 3.184 0.944 1.00 0.00 N ATOM 725 CA LYS A 45 -12.275 1.766 0.609 1.00 0.00 C ATOM 726 C LYS A 45 -11.149 1.413 -0.355 1.00 0.00 C ATOM 727 O LYS A 45 -10.382 0.482 -0.117 1.00 0.00 O ATOM 728 CB LYS A 45 -13.615 1.399 -0.033 1.00 0.00 C ATOM 729 CG LYS A 45 -14.831 1.791 0.790 1.00 0.00 C ATOM 730 CD LYS A 45 -16.113 1.345 0.110 1.00 0.00 C ATOM 731 CE LYS A 45 -17.344 1.878 0.822 1.00 0.00 C ATOM 732 NZ LYS A 45 -18.594 1.429 0.155 1.00 0.00 N ATOM 0 H LYS A 45 -13.061 3.709 0.659 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.153 1.202 1.534 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.681 1.880 -1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.639 0.323 -0.206 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.765 1.341 1.781 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.847 2.872 0.931 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.114 1.688 -0.924 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.151 0.256 0.084 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.341 1.540 1.858 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.312 2.967 0.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -19.416 1.810 0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.606 1.773 -0.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.635 0.390 0.159 1.00 0.00 H new ATOM 746 N TYR A 46 -11.057 2.176 -1.435 1.00 0.00 N ATOM 747 CA TYR A 46 -10.049 1.954 -2.459 1.00 0.00 C ATOM 748 C TYR A 46 -9.630 3.278 -3.078 1.00 0.00 C ATOM 749 O TYR A 46 -10.409 4.229 -3.100 1.00 0.00 O ATOM 750 CB TYR A 46 -10.574 1.024 -3.554 1.00 0.00 C ATOM 751 CG TYR A 46 -10.616 -0.437 -3.167 1.00 0.00 C ATOM 752 CD1 TYR A 46 -9.456 -1.114 -2.805 1.00 0.00 C ATOM 753 CD2 TYR A 46 -11.810 -1.142 -3.180 1.00 0.00 C ATOM 754 CE1 TYR A 46 -9.489 -2.453 -2.468 1.00 0.00 C ATOM 755 CE2 TYR A 46 -11.851 -2.481 -2.849 1.00 0.00 C ATOM 756 CZ TYR A 46 -10.689 -3.133 -2.494 1.00 0.00 C ATOM 757 OH TYR A 46 -10.730 -4.475 -2.179 1.00 0.00 O ATOM 0 H TYR A 46 -11.677 2.963 -1.625 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.188 1.484 -1.985 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -11.579 1.342 -3.833 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.947 1.135 -4.439 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.515 -0.584 -2.787 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -12.723 -0.635 -3.454 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.581 -2.965 -2.186 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -12.789 -3.016 -2.868 1.00 0.00 H new ATOM 0 HH TYR A 46 -11.316 -4.612 -1.406 1.00 0.00 H new ATOM 767 N LEU A 47 -8.407 3.330 -3.581 1.00 0.00 N ATOM 768 CA LEU A 47 -7.881 4.545 -4.185 1.00 0.00 C ATOM 769 C LEU A 47 -8.407 4.716 -5.606 1.00 0.00 C ATOM 770 O LEU A 47 -8.590 3.740 -6.334 1.00 0.00 O ATOM 771 CB LEU A 47 -6.351 4.513 -4.196 1.00 0.00 C ATOM 772 CG LEU A 47 -5.690 4.387 -2.820 1.00 0.00 C ATOM 773 CD1 LEU A 47 -4.184 4.236 -2.968 1.00 0.00 C ATOM 774 CD2 LEU A 47 -6.020 5.592 -1.949 1.00 0.00 C ATOM 0 H LEU A 47 -7.758 2.543 -3.583 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.216 5.393 -3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.026 3.677 -4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.988 5.423 -4.673 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.084 3.495 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.729 4.148 -1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.964 3.342 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.779 5.110 -3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.540 5.481 -0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.657 6.500 -2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.100 5.659 -1.815 1.00 0.00 H new ATOM 786 N SER A 48 -8.646 5.960 -5.991 1.00 0.00 N ATOM 787 CA SER A 48 -9.125 6.275 -7.320 1.00 0.00 C ATOM 788 C SER A 48 -7.986 6.244 -8.330 1.00 0.00 C ATOM 789 O SER A 48 -6.819 6.058 -7.970 1.00 0.00 O ATOM 790 CB SER A 48 -9.797 7.647 -7.314 1.00 0.00 C ATOM 791 OG SER A 48 -10.859 7.684 -6.374 1.00 0.00 O ATOM 0 H SER A 48 -8.513 6.774 -5.391 1.00 0.00 H new ATOM 0 HA SER A 48 -9.855 5.521 -7.616 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.063 8.415 -7.071 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.178 7.874 -8.309 1.00 0.00 H new ATOM 0 HG SER A 48 -10.593 8.225 -5.601 1.00 0.00 H new ATOM 797 N LEU A 49 -8.336 6.467 -9.587 1.00 0.00 N ATOM 798 CA LEU A 49 -7.391 6.371 -10.695 1.00 0.00 C ATOM 799 C LEU A 49 -6.331 7.452 -10.551 1.00 0.00 C ATOM 800 O LEU A 49 -5.142 7.217 -10.771 1.00 0.00 O ATOM 801 CB LEU A 49 -8.143 6.502 -12.035 1.00 0.00 C ATOM 802 CG LEU A 49 -7.360 6.130 -13.308 1.00 0.00 C ATOM 803 CD1 LEU A 49 -6.403 7.240 -13.712 1.00 0.00 C ATOM 804 CD2 LEU A 49 -6.608 4.823 -13.110 1.00 0.00 C ATOM 0 H LEU A 49 -9.283 6.720 -9.871 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.897 5.400 -10.678 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.033 5.875 -11.988 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.484 7.533 -12.134 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.080 5.999 -14.116 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.865 6.947 -14.614 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.966 8.153 -13.906 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.690 7.417 -12.906 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.061 4.577 -14.020 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.907 4.928 -12.282 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.317 4.026 -12.886 1.00 0.00 H new ATOM 816 N GLN A 50 -6.770 8.630 -10.149 1.00 0.00 N ATOM 817 CA GLN A 50 -5.874 9.745 -9.943 1.00 0.00 C ATOM 818 C GLN A 50 -5.028 9.530 -8.695 1.00 0.00 C ATOM 819 O GLN A 50 -3.845 9.858 -8.665 1.00 0.00 O ATOM 820 CB GLN A 50 -6.682 11.028 -9.816 1.00 0.00 C ATOM 821 CG GLN A 50 -7.321 11.484 -11.118 1.00 0.00 C ATOM 822 CD GLN A 50 -8.064 12.796 -10.963 1.00 0.00 C ATOM 823 OE1 GLN A 50 -8.582 13.105 -9.891 1.00 0.00 O ATOM 824 NE2 GLN A 50 -8.117 13.576 -12.030 1.00 0.00 N ATOM 0 H GLN A 50 -7.750 8.837 -9.958 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.204 9.823 -10.799 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.464 10.881 -9.071 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.032 11.820 -9.445 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.550 11.593 -11.880 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.011 10.717 -11.470 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.674 13.281 -12.900 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.601 14.472 -11.983 1.00 0.00 H new ATOM 833 N GLN A 51 -5.636 8.936 -7.681 1.00 0.00 N ATOM 834 CA GLN A 51 -4.994 8.765 -6.391 1.00 0.00 C ATOM 835 C GLN A 51 -3.876 7.727 -6.445 1.00 0.00 C ATOM 836 O GLN A 51 -2.845 7.894 -5.802 1.00 0.00 O ATOM 837 CB GLN A 51 -6.036 8.373 -5.350 1.00 0.00 C ATOM 838 CG GLN A 51 -7.065 9.464 -5.099 1.00 0.00 C ATOM 839 CD GLN A 51 -8.206 9.006 -4.213 1.00 0.00 C ATOM 840 OE1 GLN A 51 -9.332 9.487 -4.338 1.00 0.00 O ATOM 841 NE2 GLN A 51 -7.928 8.078 -3.315 1.00 0.00 N ATOM 0 H GLN A 51 -6.583 8.561 -7.730 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.538 9.715 -6.111 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.547 7.468 -5.678 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.533 8.133 -4.413 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.574 10.320 -4.637 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -7.467 9.804 -6.053 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.981 7.705 -3.243 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.660 7.735 -2.693 1.00 0.00 H new ATOM 850 N MET A 52 -4.075 6.663 -7.217 1.00 0.00 N ATOM 851 CA MET A 52 -3.061 5.617 -7.333 1.00 0.00 C ATOM 852 C MET A 52 -1.802 6.145 -8.023 1.00 0.00 C ATOM 853 O MET A 52 -0.688 5.903 -7.557 1.00 0.00 O ATOM 854 CB MET A 52 -3.609 4.380 -8.061 1.00 0.00 C ATOM 855 CG MET A 52 -4.124 4.649 -9.463 1.00 0.00 C ATOM 856 SD MET A 52 -4.797 3.174 -10.252 1.00 0.00 S ATOM 857 CE MET A 52 -6.165 2.791 -9.159 1.00 0.00 C ATOM 0 H MET A 52 -4.919 6.502 -7.767 1.00 0.00 H new ATOM 0 HA MET A 52 -2.789 5.311 -6.323 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.822 3.628 -8.115 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.417 3.953 -7.467 1.00 0.00 H new ATOM 0 HG2 MET A 52 -4.896 5.418 -9.421 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.313 5.045 -10.074 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.841 2.093 -9.653 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.784 2.340 -8.243 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.703 3.707 -8.915 1.00 0.00 H new ATOM 867 N GLN A 53 -1.967 6.895 -9.111 1.00 0.00 N ATOM 868 CA GLN A 53 -0.814 7.434 -9.824 1.00 0.00 C ATOM 869 C GLN A 53 -0.180 8.578 -9.033 1.00 0.00 C ATOM 870 O GLN A 53 1.040 8.744 -9.040 1.00 0.00 O ATOM 871 CB GLN A 53 -1.190 7.889 -11.240 1.00 0.00 C ATOM 872 CG GLN A 53 -2.240 8.985 -11.292 1.00 0.00 C ATOM 873 CD GLN A 53 -2.549 9.428 -12.708 1.00 0.00 C ATOM 874 OE1 GLN A 53 -2.894 10.586 -12.946 1.00 0.00 O ATOM 875 NE2 GLN A 53 -2.426 8.514 -13.659 1.00 0.00 N ATOM 0 H GLN A 53 -2.873 7.140 -9.512 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.080 6.635 -9.922 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.291 8.241 -11.746 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.554 7.028 -11.800 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.155 8.629 -10.818 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.894 9.842 -10.714 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.138 7.565 -13.420 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.620 8.759 -14.630 1.00 0.00 H new ATOM 884 N GLU A 54 -1.017 9.350 -8.344 1.00 0.00 N ATOM 885 CA GLU A 54 -0.539 10.410 -7.468 1.00 0.00 C ATOM 886 C GLU A 54 0.350 9.807 -6.387 1.00 0.00 C ATOM 887 O GLU A 54 1.500 10.208 -6.218 1.00 0.00 O ATOM 888 CB GLU A 54 -1.727 11.137 -6.822 1.00 0.00 C ATOM 889 CG GLU A 54 -1.353 12.401 -6.066 1.00 0.00 C ATOM 890 CD GLU A 54 -0.987 13.547 -6.987 1.00 0.00 C ATOM 891 OE1 GLU A 54 -1.909 14.197 -7.524 1.00 0.00 O ATOM 892 OE2 GLU A 54 0.218 13.807 -7.181 1.00 0.00 O ATOM 0 H GLU A 54 -2.032 9.259 -8.378 1.00 0.00 H new ATOM 0 HA GLU A 54 0.035 11.129 -8.052 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.447 11.393 -7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.227 10.453 -6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.188 12.701 -5.433 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.513 12.189 -5.405 1.00 0.00 H new ATOM 899 N LEU A 55 -0.190 8.806 -5.696 1.00 0.00 N ATOM 900 CA LEU A 55 0.515 8.127 -4.617 1.00 0.00 C ATOM 901 C LEU A 55 1.856 7.587 -5.096 1.00 0.00 C ATOM 902 O LEU A 55 2.862 7.680 -4.390 1.00 0.00 O ATOM 903 CB LEU A 55 -0.342 6.983 -4.072 1.00 0.00 C ATOM 904 CG LEU A 55 0.210 6.285 -2.829 1.00 0.00 C ATOM 905 CD1 LEU A 55 0.147 7.212 -1.626 1.00 0.00 C ATOM 906 CD2 LEU A 55 -0.559 5.004 -2.552 1.00 0.00 C ATOM 0 H LEU A 55 -1.128 8.445 -5.870 1.00 0.00 H new ATOM 0 HA LEU A 55 0.701 8.850 -3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.333 7.373 -3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.469 6.240 -4.859 1.00 0.00 H new ATOM 0 HG LEU A 55 1.253 6.028 -3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.544 6.699 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.740 8.105 -1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.888 7.498 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.152 4.520 -1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.611 5.239 -2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.466 4.332 -3.405 1.00 0.00 H new ATOM 918 N SER A 56 1.859 7.030 -6.300 1.00 0.00 N ATOM 919 CA SER A 56 3.076 6.494 -6.894 1.00 0.00 C ATOM 920 C SER A 56 4.194 7.530 -6.908 1.00 0.00 C ATOM 921 O SER A 56 5.276 7.290 -6.378 1.00 0.00 O ATOM 922 CB SER A 56 2.807 6.034 -8.328 1.00 0.00 C ATOM 923 OG SER A 56 1.726 5.123 -8.395 1.00 0.00 O ATOM 0 H SER A 56 1.029 6.938 -6.886 1.00 0.00 H new ATOM 0 HA SER A 56 3.391 5.648 -6.284 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.591 6.901 -8.953 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.703 5.564 -8.733 1.00 0.00 H new ATOM 0 HG SER A 56 0.881 5.612 -8.317 1.00 0.00 H new ATOM 929 N ASN A 57 3.918 8.692 -7.481 1.00 0.00 N ATOM 930 CA ASN A 57 4.941 9.717 -7.649 1.00 0.00 C ATOM 931 C ASN A 57 5.394 10.269 -6.297 1.00 0.00 C ATOM 932 O ASN A 57 6.556 10.643 -6.126 1.00 0.00 O ATOM 933 CB ASN A 57 4.433 10.846 -8.554 1.00 0.00 C ATOM 934 CG ASN A 57 5.512 11.871 -8.866 1.00 0.00 C ATOM 935 OD1 ASN A 57 6.319 11.681 -9.780 1.00 0.00 O ATOM 936 ND2 ASN A 57 5.509 12.979 -8.140 1.00 0.00 N ATOM 0 H ASN A 57 2.998 8.950 -7.837 1.00 0.00 H new ATOM 0 HA ASN A 57 5.804 9.255 -8.129 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.060 10.421 -9.486 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.592 11.344 -8.071 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.191 13.714 -8.328 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.825 13.097 -7.393 1.00 0.00 H new ATOM 943 N ILE A 58 4.479 10.297 -5.334 1.00 0.00 N ATOM 944 CA ILE A 58 4.776 10.835 -4.013 1.00 0.00 C ATOM 945 C ILE A 58 5.723 9.919 -3.248 1.00 0.00 C ATOM 946 O ILE A 58 6.649 10.386 -2.586 1.00 0.00 O ATOM 947 CB ILE A 58 3.493 11.037 -3.184 1.00 0.00 C ATOM 948 CG1 ILE A 58 2.490 11.875 -3.974 1.00 0.00 C ATOM 949 CG2 ILE A 58 3.813 11.702 -1.850 1.00 0.00 C ATOM 950 CD1 ILE A 58 1.240 12.228 -3.199 1.00 0.00 C ATOM 0 H ILE A 58 3.525 9.953 -5.444 1.00 0.00 H new ATOM 0 HA ILE A 58 5.254 11.802 -4.167 1.00 0.00 H new ATOM 0 HB ILE A 58 3.052 10.062 -2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.976 12.795 -4.299 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.206 11.330 -4.874 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.893 11.836 -1.280 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.501 11.073 -1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.273 12.674 -2.029 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.578 12.823 -3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.729 11.314 -2.897 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.511 12.802 -2.313 1.00 0.00 H new ATOM 962 N LEU A 59 5.505 8.612 -3.357 1.00 0.00 N ATOM 963 CA LEU A 59 6.322 7.653 -2.624 1.00 0.00 C ATOM 964 C LEU A 59 7.486 7.162 -3.474 1.00 0.00 C ATOM 965 O LEU A 59 8.214 6.253 -3.074 1.00 0.00 O ATOM 966 CB LEU A 59 5.479 6.465 -2.139 1.00 0.00 C ATOM 967 CG LEU A 59 4.702 6.687 -0.834 1.00 0.00 C ATOM 968 CD1 LEU A 59 5.649 7.064 0.295 1.00 0.00 C ATOM 969 CD2 LEU A 59 3.625 7.747 -1.006 1.00 0.00 C ATOM 0 H LEU A 59 4.778 8.197 -3.939 1.00 0.00 H new ATOM 0 HA LEU A 59 6.726 8.166 -1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.768 6.204 -2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.137 5.606 -2.006 1.00 0.00 H new ATOM 0 HG LEU A 59 4.209 5.750 -0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.080 7.217 1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.372 6.262 0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.175 7.983 0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.093 7.881 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.086 8.690 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.923 7.431 -1.778 1.00 0.00 H new ATOM 981 N ASN A 60 7.662 7.784 -4.640 1.00 0.00 N ATOM 982 CA ASN A 60 8.726 7.417 -5.575 1.00 0.00 C ATOM 983 C ASN A 60 8.556 5.963 -6.020 1.00 0.00 C ATOM 984 O ASN A 60 9.523 5.224 -6.221 1.00 0.00 O ATOM 985 CB ASN A 60 10.105 7.647 -4.938 1.00 0.00 C ATOM 986 CG ASN A 60 11.248 7.474 -5.924 1.00 0.00 C ATOM 987 OD1 ASN A 60 11.106 7.742 -7.119 1.00 0.00 O ATOM 988 ND2 ASN A 60 12.392 7.024 -5.431 1.00 0.00 N ATOM 0 H ASN A 60 7.074 8.553 -4.962 1.00 0.00 H new ATOM 0 HA ASN A 60 8.657 8.053 -6.458 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.143 8.652 -4.519 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.238 6.951 -4.110 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.194 6.888 -6.046 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.471 6.813 -4.436 1.00 0.00 H new ATOM 995 N LEU A 61 7.307 5.569 -6.179 1.00 0.00 N ATOM 996 CA LEU A 61 6.963 4.236 -6.635 1.00 0.00 C ATOM 997 C LEU A 61 6.414 4.317 -8.050 1.00 0.00 C ATOM 998 O LEU A 61 6.218 5.407 -8.589 1.00 0.00 O ATOM 999 CB LEU A 61 5.932 3.597 -5.700 1.00 0.00 C ATOM 1000 CG LEU A 61 6.380 3.433 -4.245 1.00 0.00 C ATOM 1001 CD1 LEU A 61 5.253 2.850 -3.406 1.00 0.00 C ATOM 1002 CD2 LEU A 61 7.621 2.552 -4.166 1.00 0.00 C ATOM 0 H LEU A 61 6.500 6.166 -5.995 1.00 0.00 H new ATOM 0 HA LEU A 61 7.857 3.613 -6.628 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.026 4.202 -5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.668 2.616 -6.094 1.00 0.00 H new ATOM 0 HG LEU A 61 6.632 4.416 -3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.587 2.739 -2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.392 3.518 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.971 1.875 -3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.926 2.446 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.396 1.569 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.429 3.010 -4.736 1.00 0.00 H new ATOM 1014 N SER A 62 6.166 3.174 -8.649 1.00 0.00 N ATOM 1015 CA SER A 62 5.672 3.135 -10.006 1.00 0.00 C ATOM 1016 C SER A 62 4.158 2.993 -10.013 1.00 0.00 C ATOM 1017 O SER A 62 3.597 2.262 -9.196 1.00 0.00 O ATOM 1018 CB SER A 62 6.324 1.973 -10.754 1.00 0.00 C ATOM 1019 OG SER A 62 5.829 1.863 -12.076 1.00 0.00 O ATOM 0 H SER A 62 6.298 2.259 -8.217 1.00 0.00 H new ATOM 0 HA SER A 62 5.928 4.068 -10.508 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.404 2.116 -10.780 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.138 1.043 -10.216 1.00 0.00 H new ATOM 0 HG SER A 62 6.374 1.221 -12.577 1.00 0.00 H new ATOM 1025 N TYR A 63 3.500 3.704 -10.926 1.00 0.00 N ATOM 1026 CA TYR A 63 2.060 3.569 -11.115 1.00 0.00 C ATOM 1027 C TYR A 63 1.721 2.129 -11.469 1.00 0.00 C ATOM 1028 O TYR A 63 0.659 1.620 -11.119 1.00 0.00 O ATOM 1029 CB TYR A 63 1.580 4.526 -12.213 1.00 0.00 C ATOM 1030 CG TYR A 63 0.194 4.227 -12.747 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -0.941 4.506 -11.999 1.00 0.00 C ATOM 1032 CD2 TYR A 63 0.029 3.658 -14.001 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -2.204 4.227 -12.489 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -1.229 3.376 -14.497 1.00 0.00 C ATOM 1035 CZ TYR A 63 -2.340 3.662 -13.739 1.00 0.00 C ATOM 1036 OH TYR A 63 -3.593 3.375 -14.232 1.00 0.00 O ATOM 0 H TYR A 63 3.944 4.381 -11.547 1.00 0.00 H new ATOM 0 HA TYR A 63 1.549 3.829 -10.188 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.593 5.543 -11.822 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.289 4.494 -13.040 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.837 4.948 -11.019 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.899 3.432 -14.600 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.078 4.450 -11.896 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.339 2.933 -15.476 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.511 2.982 -15.126 1.00 0.00 H new ATOM 1046 N LYS A 64 2.655 1.467 -12.135 1.00 0.00 N ATOM 1047 CA LYS A 64 2.491 0.077 -12.492 1.00 0.00 C ATOM 1048 C LYS A 64 2.442 -0.768 -11.229 1.00 0.00 C ATOM 1049 O LYS A 64 1.649 -1.697 -11.118 1.00 0.00 O ATOM 1050 CB LYS A 64 3.635 -0.389 -13.397 1.00 0.00 C ATOM 1051 CG LYS A 64 3.553 0.119 -14.834 1.00 0.00 C ATOM 1052 CD LYS A 64 3.820 1.613 -14.943 1.00 0.00 C ATOM 1053 CE LYS A 64 3.721 2.082 -16.380 1.00 0.00 C ATOM 1054 NZ LYS A 64 4.031 3.528 -16.516 1.00 0.00 N ATOM 0 H LYS A 64 3.538 1.878 -12.438 1.00 0.00 H new ATOM 0 HA LYS A 64 1.557 -0.038 -13.041 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.580 -0.063 -12.963 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.650 -1.479 -13.411 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.274 -0.421 -15.448 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.564 -0.100 -15.237 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.104 2.159 -14.329 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.812 1.838 -14.552 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.408 1.504 -16.998 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.716 1.890 -16.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.952 3.808 -17.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.360 4.082 -15.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.999 3.708 -16.182 1.00 0.00 H new ATOM 1068 N GLN A 65 3.276 -0.411 -10.266 1.00 0.00 N ATOM 1069 CA GLN A 65 3.339 -1.125 -9.003 1.00 0.00 C ATOM 1070 C GLN A 65 2.150 -0.788 -8.111 1.00 0.00 C ATOM 1071 O GLN A 65 1.544 -1.683 -7.520 1.00 0.00 O ATOM 1072 CB GLN A 65 4.655 -0.818 -8.284 1.00 0.00 C ATOM 1073 CG GLN A 65 5.872 -1.432 -8.959 1.00 0.00 C ATOM 1074 CD GLN A 65 5.818 -2.952 -9.022 1.00 0.00 C ATOM 1075 OE1 GLN A 65 4.744 -3.552 -9.096 1.00 0.00 O ATOM 1076 NE2 GLN A 65 6.975 -3.587 -8.997 1.00 0.00 N ATOM 0 H GLN A 65 3.923 0.375 -10.337 1.00 0.00 H new ATOM 0 HA GLN A 65 3.297 -2.192 -9.220 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.786 0.263 -8.229 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.594 -1.184 -7.259 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.957 -1.035 -9.971 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.770 -1.129 -8.421 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.845 -3.059 -8.935 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.999 -4.606 -9.039 1.00 0.00 H new ATOM 1085 N VAL A 66 1.806 0.493 -8.027 1.00 0.00 N ATOM 1086 CA VAL A 66 0.712 0.921 -7.159 1.00 0.00 C ATOM 1087 C VAL A 66 -0.633 0.397 -7.674 1.00 0.00 C ATOM 1088 O VAL A 66 -1.460 -0.086 -6.899 1.00 0.00 O ATOM 1089 CB VAL A 66 0.668 2.457 -6.991 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.561 2.882 -6.198 1.00 0.00 C ATOM 1091 CG2 VAL A 66 1.931 2.934 -6.291 1.00 0.00 C ATOM 0 H VAL A 66 2.262 1.246 -8.542 1.00 0.00 H new ATOM 0 HA VAL A 66 0.900 0.491 -6.175 1.00 0.00 H new ATOM 0 HB VAL A 66 0.609 2.912 -7.980 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.569 3.967 -6.093 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.461 2.561 -6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.533 2.422 -5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.896 4.017 -6.175 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.002 2.466 -5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.802 2.661 -6.887 1.00 0.00 H new ATOM 1101 N LYS A 67 -0.830 0.455 -8.988 1.00 0.00 N ATOM 1102 CA LYS A 67 -2.078 -0.001 -9.595 1.00 0.00 C ATOM 1103 C LYS A 67 -2.216 -1.522 -9.492 1.00 0.00 C ATOM 1104 O LYS A 67 -3.300 -2.039 -9.221 1.00 0.00 O ATOM 1105 CB LYS A 67 -2.156 0.466 -11.058 1.00 0.00 C ATOM 1106 CG LYS A 67 -3.493 0.199 -11.744 1.00 0.00 C ATOM 1107 CD LYS A 67 -3.558 -1.182 -12.382 1.00 0.00 C ATOM 1108 CE LYS A 67 -2.531 -1.333 -13.494 1.00 0.00 C ATOM 1109 NZ LYS A 67 -2.621 -2.658 -14.163 1.00 0.00 N ATOM 0 H LYS A 67 -0.143 0.812 -9.652 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.911 0.440 -9.048 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.952 1.536 -11.095 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.367 -0.028 -11.625 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.297 0.297 -11.015 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.663 0.957 -12.509 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.386 -1.944 -11.621 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.557 -1.352 -12.783 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.678 -0.544 -14.232 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.530 -1.202 -13.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.903 -2.717 -14.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.455 -3.411 -13.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.567 -2.773 -14.579 1.00 0.00 H new ATOM 1123 N THR A 68 -1.118 -2.231 -9.692 1.00 0.00 N ATOM 1124 CA THR A 68 -1.135 -3.688 -9.630 1.00 0.00 C ATOM 1125 C THR A 68 -1.390 -4.168 -8.203 1.00 0.00 C ATOM 1126 O THR A 68 -2.152 -5.112 -7.988 1.00 0.00 O ATOM 1127 CB THR A 68 0.182 -4.291 -10.160 1.00 0.00 C ATOM 1128 OG1 THR A 68 0.380 -3.899 -11.526 1.00 0.00 O ATOM 1129 CG2 THR A 68 0.170 -5.810 -10.071 1.00 0.00 C ATOM 0 H THR A 68 -0.205 -1.826 -9.898 1.00 0.00 H new ATOM 0 HA THR A 68 -1.949 -4.030 -10.269 1.00 0.00 H new ATOM 0 HB THR A 68 0.997 -3.915 -9.541 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.163 -3.313 -11.588 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.112 -6.204 -10.452 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.044 -6.113 -9.031 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.655 -6.203 -10.666 1.00 0.00 H new ATOM 1137 N TRP A 69 -0.780 -3.499 -7.230 1.00 0.00 N ATOM 1138 CA TRP A 69 -0.978 -3.855 -5.833 1.00 0.00 C ATOM 1139 C TRP A 69 -2.427 -3.584 -5.434 1.00 0.00 C ATOM 1140 O TRP A 69 -3.004 -4.304 -4.621 1.00 0.00 O ATOM 1141 CB TRP A 69 -0.009 -3.082 -4.936 1.00 0.00 C ATOM 1142 CG TRP A 69 0.050 -3.609 -3.535 1.00 0.00 C ATOM 1143 CD1 TRP A 69 0.439 -4.860 -3.148 1.00 0.00 C ATOM 1144 CD2 TRP A 69 -0.273 -2.900 -2.331 1.00 0.00 C ATOM 1145 NE1 TRP A 69 0.364 -4.978 -1.782 1.00 0.00 N ATOM 1146 CE2 TRP A 69 -0.069 -3.788 -1.256 1.00 0.00 C ATOM 1147 CE3 TRP A 69 -0.721 -1.603 -2.058 1.00 0.00 C ATOM 1148 CZ2 TRP A 69 -0.295 -3.418 0.066 1.00 0.00 C ATOM 1149 CZ3 TRP A 69 -0.943 -1.239 -0.743 1.00 0.00 C ATOM 1150 CH2 TRP A 69 -0.730 -2.145 0.304 1.00 0.00 C ATOM 0 H TRP A 69 -0.149 -2.713 -7.383 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.772 -4.918 -5.704 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.989 -3.120 -5.373 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -0.306 -2.034 -4.910 1.00 0.00 H new ATOM 0 HD1 TRP A 69 0.759 -5.643 -3.819 1.00 0.00 H new ATOM 0 HE1 TRP A 69 0.593 -5.815 -1.246 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -0.890 -0.899 -2.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -0.132 -4.113 0.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -1.286 -0.240 -0.519 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -0.914 -1.831 1.321 1.00 0.00 H new ATOM 1161 N PHE A 70 -3.006 -2.548 -6.034 1.00 0.00 N ATOM 1162 CA PHE A 70 -4.421 -2.240 -5.872 1.00 0.00 C ATOM 1163 C PHE A 70 -5.284 -3.422 -6.325 1.00 0.00 C ATOM 1164 O PHE A 70 -6.230 -3.819 -5.639 1.00 0.00 O ATOM 1165 CB PHE A 70 -4.764 -0.986 -6.684 1.00 0.00 C ATOM 1166 CG PHE A 70 -6.228 -0.653 -6.738 1.00 0.00 C ATOM 1167 CD1 PHE A 70 -6.816 0.106 -5.741 1.00 0.00 C ATOM 1168 CD2 PHE A 70 -7.014 -1.088 -7.795 1.00 0.00 C ATOM 1169 CE1 PHE A 70 -8.159 0.421 -5.795 1.00 0.00 C ATOM 1170 CE2 PHE A 70 -8.359 -0.779 -7.855 1.00 0.00 C ATOM 1171 CZ PHE A 70 -8.933 -0.021 -6.852 1.00 0.00 C ATOM 0 H PHE A 70 -2.508 -1.900 -6.645 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.628 -2.055 -4.818 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.228 -0.137 -6.260 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.398 -1.118 -7.702 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.218 0.455 -4.912 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.568 -1.677 -8.583 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.606 1.014 -5.010 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.959 -1.128 -8.682 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.984 0.226 -6.894 1.00 0.00 H new ATOM 1181 N GLN A 71 -4.938 -3.989 -7.477 1.00 0.00 N ATOM 1182 CA GLN A 71 -5.669 -5.131 -8.022 1.00 0.00 C ATOM 1183 C GLN A 71 -5.504 -6.354 -7.128 1.00 0.00 C ATOM 1184 O GLN A 71 -6.375 -7.224 -7.069 1.00 0.00 O ATOM 1185 CB GLN A 71 -5.183 -5.452 -9.436 1.00 0.00 C ATOM 1186 CG GLN A 71 -5.280 -4.280 -10.397 1.00 0.00 C ATOM 1187 CD GLN A 71 -6.683 -3.709 -10.496 1.00 0.00 C ATOM 1188 OE1 GLN A 71 -7.675 -4.416 -10.323 1.00 0.00 O ATOM 1189 NE2 GLN A 71 -6.773 -2.421 -10.778 1.00 0.00 N ATOM 0 H GLN A 71 -4.156 -3.677 -8.052 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.726 -4.867 -8.062 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.146 -5.785 -9.387 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.767 -6.283 -9.831 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.596 -3.495 -10.074 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -4.953 -4.600 -11.386 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.927 -1.868 -10.914 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.689 -1.979 -10.859 1.00 0.00 H new ATOM 1198 N ASN A 72 -4.381 -6.413 -6.433 1.00 0.00 N ATOM 1199 CA ASN A 72 -4.098 -7.504 -5.516 1.00 0.00 C ATOM 1200 C ASN A 72 -5.062 -7.472 -4.336 1.00 0.00 C ATOM 1201 O ASN A 72 -5.569 -8.506 -3.923 1.00 0.00 O ATOM 1202 CB ASN A 72 -2.648 -7.446 -5.024 1.00 0.00 C ATOM 1203 CG ASN A 72 -1.642 -7.734 -6.125 1.00 0.00 C ATOM 1204 OD1 ASN A 72 -1.929 -8.454 -7.079 1.00 0.00 O ATOM 1205 ND2 ASN A 72 -0.448 -7.176 -5.997 1.00 0.00 N ATOM 0 H ASN A 72 -3.644 -5.710 -6.488 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.236 -8.442 -6.054 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.450 -6.459 -4.606 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.514 -8.167 -4.217 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.269 -7.338 -6.704 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.245 -6.584 -5.191 1.00 0.00 H new ATOM 1212 N GLN A 73 -5.332 -6.282 -3.804 1.00 0.00 N ATOM 1213 CA GLN A 73 -6.333 -6.140 -2.747 1.00 0.00 C ATOM 1214 C GLN A 73 -7.692 -6.612 -3.251 1.00 0.00 C ATOM 1215 O GLN A 73 -8.461 -7.240 -2.519 1.00 0.00 O ATOM 1216 CB GLN A 73 -6.424 -4.690 -2.260 1.00 0.00 C ATOM 1217 CG GLN A 73 -5.506 -4.371 -1.090 1.00 0.00 C ATOM 1218 CD GLN A 73 -4.038 -4.532 -1.426 1.00 0.00 C ATOM 1219 OE1 GLN A 73 -3.455 -5.605 -1.251 1.00 0.00 O ATOM 1220 NE2 GLN A 73 -3.431 -3.465 -1.910 1.00 0.00 N ATOM 0 H GLN A 73 -4.879 -5.412 -4.082 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.027 -6.759 -1.903 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.184 -4.024 -3.089 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.453 -4.479 -1.969 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.687 -3.347 -0.762 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.755 -5.023 -0.253 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.951 -2.597 -2.039 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.442 -3.508 -2.155 1.00 0.00 H new ATOM 1229 N ARG A 74 -7.967 -6.322 -4.518 1.00 0.00 N ATOM 1230 CA ARG A 74 -9.194 -6.768 -5.156 1.00 0.00 C ATOM 1231 C ARG A 74 -9.249 -8.290 -5.243 1.00 0.00 C ATOM 1232 O ARG A 74 -10.299 -8.887 -4.993 1.00 0.00 O ATOM 1233 CB ARG A 74 -9.338 -6.149 -6.549 1.00 0.00 C ATOM 1234 CG ARG A 74 -9.835 -4.708 -6.535 1.00 0.00 C ATOM 1235 CD ARG A 74 -11.328 -4.626 -6.239 1.00 0.00 C ATOM 1236 NE ARG A 74 -11.671 -5.113 -4.898 1.00 0.00 N ATOM 1237 CZ ARG A 74 -12.887 -5.519 -4.533 1.00 0.00 C ATOM 1238 NH1 ARG A 74 -13.889 -5.502 -5.408 1.00 0.00 N ATOM 1239 NH2 ARG A 74 -13.099 -5.940 -3.290 1.00 0.00 N ATOM 0 H ARG A 74 -7.352 -5.778 -5.123 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.028 -6.433 -4.540 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.373 -6.185 -7.054 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.028 -6.755 -7.136 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.284 -4.141 -5.785 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.630 -4.244 -7.499 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.657 -3.592 -6.340 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.873 -5.208 -6.982 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.929 -5.143 -4.198 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.728 -5.178 -6.362 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -14.818 -5.813 -5.125 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.332 -5.952 -2.618 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -14.029 -6.251 -3.009 1.00 0.00 H new ATOM 1253 N MET A 75 -8.129 -8.927 -5.580 1.00 0.00 N ATOM 1254 CA MET A 75 -8.126 -10.385 -5.689 1.00 0.00 C ATOM 1255 C MET A 75 -8.176 -11.033 -4.303 1.00 0.00 C ATOM 1256 O MET A 75 -8.815 -12.067 -4.122 1.00 0.00 O ATOM 1257 CB MET A 75 -6.917 -10.912 -6.481 1.00 0.00 C ATOM 1258 CG MET A 75 -5.599 -10.897 -5.719 1.00 0.00 C ATOM 1259 SD MET A 75 -4.271 -11.741 -6.600 1.00 0.00 S ATOM 1260 CE MET A 75 -4.167 -10.747 -8.086 1.00 0.00 C ATOM 0 H MET A 75 -7.237 -8.474 -5.777 1.00 0.00 H new ATOM 0 HA MET A 75 -9.022 -10.661 -6.244 1.00 0.00 H new ATOM 0 HB2 MET A 75 -7.126 -11.934 -6.798 1.00 0.00 H new ATOM 0 HB3 MET A 75 -6.804 -10.314 -7.386 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.305 -9.864 -5.531 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.741 -11.369 -4.747 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.121 -10.612 -8.361 1.00 0.00 H new ATOM 0 HE2 MET A 75 -4.694 -11.249 -8.897 1.00 0.00 H new ATOM 0 HE3 MET A 75 -4.623 -9.774 -7.905 1.00 0.00 H new ATOM 1270 N LYS A 76 -7.528 -10.400 -3.324 1.00 0.00 N ATOM 1271 CA LYS A 76 -7.462 -10.932 -1.961 1.00 0.00 C ATOM 1272 C LYS A 76 -8.847 -11.048 -1.338 1.00 0.00 C ATOM 1273 O LYS A 76 -9.066 -11.878 -0.464 1.00 0.00 O ATOM 1274 CB LYS A 76 -6.595 -10.041 -1.069 1.00 0.00 C ATOM 1275 CG LYS A 76 -5.120 -10.038 -1.427 1.00 0.00 C ATOM 1276 CD LYS A 76 -4.367 -9.007 -0.605 1.00 0.00 C ATOM 1277 CE LYS A 76 -2.903 -8.930 -1.001 1.00 0.00 C ATOM 1278 NZ LYS A 76 -2.192 -7.859 -0.258 1.00 0.00 N ATOM 0 H LYS A 76 -7.039 -9.514 -3.450 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.019 -11.925 -2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.971 -9.019 -1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.704 -10.367 -0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.697 -11.027 -1.253 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.999 -9.822 -2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.831 -8.029 -0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.445 -9.258 0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.422 -9.889 -0.807 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.824 -8.744 -2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.165 -7.993 -0.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.458 -6.932 -0.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.454 -7.901 0.748 1.00 0.00 H new