USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 707 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 40 HIS : no HE2:sc= 0.861 K(o=2.7,f=-4.9!) USER MOD Set 1.2: A 76 TYR OH : rot 96:sc= 1.84 USER MOD Set 2.1: A 1 MET N :NH3+ -166:sc= 2.42 (180deg=1.15) USER MOD Set 2.2: A 60 ASN : amide:sc= 1.04 K(o=3.5,f=-9.6!) USER MOD Single : A 1 MET CE :methyl 167:sc= -0.0387 (180deg=-0.303) USER MOD Single : A 6 TYR OH : rot 98:sc= 0.179 USER MOD Single : A 23 GLN : amide:sc= 0.357 K(o=0.36,f=-2.9!) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0171 USER MOD Single : A 32 ASN : amide:sc= -0.0169 K(o=-0.017,f=-1) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -2.73! C(o=-2.7!,f=-3.2!) USER MOD Single : A 36 TYR OH : rot 30:sc= -0.0293 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot -50:sc= 0.792 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 50 THR OG1 : rot -110:sc= 1.22 USER MOD Single : A 52 HIS : no HE2:sc= -3.55! C(o=-3.6!,f=-4.7!) USER MOD Single : A 56 TYR OH : rot 15:sc= 1.19 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.292 USER MOD Single : A 71 THR OG1 : rot -153:sc= 1.18 USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.808 X(o=-0.81,f=-1.2) USER MOD Single : A 83 THR OG1 : rot -140:sc= 0.111 USER MOD Single : A 85 TYR OH : rot -150:sc= 1.26 USER MOD Single : A 87 SER OG : rot 30:sc= -0.167 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 109:sc= 1.05 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN :FLIP amide:sc= -0.197 F(o=-1.7,f=-0.2) USER MOD Single : A 101 LYS NZ :NH3+ 149:sc= 0.729 (180deg=-1.21!) USER MOD Single : A 105 SER OG : rot -15:sc= 0.624 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.418 2.150 -13.031 1.00 0.00 N ATOM 2 CA MET A 1 5.257 2.643 -11.648 1.00 0.00 C ATOM 3 C MET A 1 4.887 1.481 -10.733 1.00 0.00 C ATOM 4 O MET A 1 4.366 0.470 -11.198 1.00 0.00 O ATOM 5 CB MET A 1 4.181 3.726 -11.586 1.00 0.00 C ATOM 6 CG MET A 1 4.141 4.460 -10.257 1.00 0.00 C ATOM 7 SD MET A 1 5.737 5.182 -9.817 1.00 0.00 S ATOM 8 CE MET A 1 5.969 6.354 -11.156 1.00 0.00 C ATOM 0 H1 MET A 1 5.894 2.875 -13.605 1.00 0.00 H new ATOM 0 H2 MET A 1 5.990 1.282 -13.026 1.00 0.00 H new ATOM 0 H3 MET A 1 4.483 1.946 -13.438 1.00 0.00 H new ATOM 0 HA MET A 1 6.199 3.078 -11.316 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.354 4.446 -12.386 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.208 3.272 -11.771 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.390 5.248 -10.304 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.830 3.769 -9.473 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.784 7.033 -10.908 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.211 5.816 -12.073 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.052 6.926 -11.302 1.00 0.00 H new ATOM 20 N ARG A 2 5.153 1.610 -9.440 1.00 0.00 N ATOM 21 CA ARG A 2 4.844 0.550 -8.496 1.00 0.00 C ATOM 22 C ARG A 2 4.163 1.100 -7.251 1.00 0.00 C ATOM 23 O ARG A 2 4.677 2.003 -6.592 1.00 0.00 O ATOM 24 CB ARG A 2 6.117 -0.199 -8.126 1.00 0.00 C ATOM 25 CG ARG A 2 6.390 -1.401 -9.012 1.00 0.00 C ATOM 26 CD ARG A 2 7.798 -1.929 -8.822 1.00 0.00 C ATOM 27 NE ARG A 2 8.793 -1.072 -9.458 1.00 0.00 N ATOM 28 CZ ARG A 2 9.974 -1.508 -9.894 1.00 0.00 C ATOM 29 NH1 ARG A 2 10.314 -2.784 -9.751 1.00 0.00 N ATOM 30 NH2 ARG A 2 10.813 -0.671 -10.488 1.00 0.00 N ATOM 0 H ARG A 2 5.581 2.437 -9.024 1.00 0.00 H new ATOM 0 HA ARG A 2 4.149 -0.142 -8.971 1.00 0.00 H new ATOM 0 HB2 ARG A 2 6.963 0.486 -8.185 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.047 -0.530 -7.090 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.672 -2.190 -8.787 1.00 0.00 H new ATOM 0 HG3 ARG A 2 6.243 -1.125 -10.056 1.00 0.00 H new ATOM 0 HD2 ARG A 2 8.015 -2.008 -7.757 1.00 0.00 H new ATOM 0 HD3 ARG A 2 7.867 -2.935 -9.237 1.00 0.00 H new ATOM 0 HE ARG A 2 8.572 -0.083 -9.575 1.00 0.00 H new ATOM 0 HH11 ARG A 2 9.669 -3.437 -9.305 1.00 0.00 H new ATOM 0 HH12 ARG A 2 11.220 -3.111 -10.087 1.00 0.00 H new ATOM 0 HH21 ARG A 2 10.555 0.308 -10.612 1.00 0.00 H new ATOM 0 HH22 ARG A 2 11.717 -1.006 -10.821 1.00 0.00 H new ATOM 44 N ILE A 3 3.003 0.542 -6.935 1.00 0.00 N ATOM 45 CA ILE A 3 2.204 1.009 -5.811 1.00 0.00 C ATOM 46 C ILE A 3 1.851 -0.161 -4.895 1.00 0.00 C ATOM 47 O ILE A 3 1.671 -1.291 -5.361 1.00 0.00 O ATOM 48 CB ILE A 3 0.904 1.707 -6.290 1.00 0.00 C ATOM 49 CG1 ILE A 3 1.240 2.884 -7.211 1.00 0.00 C ATOM 50 CG2 ILE A 3 0.075 2.187 -5.103 1.00 0.00 C ATOM 51 CD1 ILE A 3 0.023 3.595 -7.759 1.00 0.00 C ATOM 0 H ILE A 3 2.592 -0.240 -7.445 1.00 0.00 H new ATOM 0 HA ILE A 3 2.799 1.738 -5.261 1.00 0.00 H new ATOM 0 HB ILE A 3 0.314 0.980 -6.848 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.851 3.600 -6.662 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.843 2.522 -8.043 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.831 2.673 -5.465 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.195 1.335 -4.479 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.658 2.897 -4.516 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.340 4.416 -8.402 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.579 2.893 -8.337 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.571 3.989 -6.934 1.00 0.00 H new ATOM 63 N PHE A 4 1.778 0.107 -3.599 1.00 0.00 N ATOM 64 CA PHE A 4 1.402 -0.909 -2.632 1.00 0.00 C ATOM 65 C PHE A 4 -0.116 -0.969 -2.502 1.00 0.00 C ATOM 66 O PHE A 4 -0.747 -0.030 -2.013 1.00 0.00 O ATOM 67 CB PHE A 4 2.044 -0.623 -1.269 1.00 0.00 C ATOM 68 CG PHE A 4 1.725 -1.655 -0.220 1.00 0.00 C ATOM 69 CD1 PHE A 4 2.330 -2.902 -0.247 1.00 0.00 C ATOM 70 CD2 PHE A 4 0.825 -1.373 0.795 1.00 0.00 C ATOM 71 CE1 PHE A 4 2.043 -3.847 0.720 1.00 0.00 C ATOM 72 CE2 PHE A 4 0.534 -2.315 1.764 1.00 0.00 C ATOM 73 CZ PHE A 4 1.143 -3.553 1.726 1.00 0.00 C ATOM 0 H PHE A 4 1.975 1.022 -3.194 1.00 0.00 H new ATOM 0 HA PHE A 4 1.765 -1.875 -2.983 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.126 -0.565 -1.392 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.710 0.354 -0.918 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.033 -3.138 -1.032 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.345 -0.406 0.830 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.522 -4.814 0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.169 -2.082 2.550 1.00 0.00 H new ATOM 0 HZ PHE A 4 0.916 -4.291 2.482 1.00 0.00 H new ATOM 83 N VAL A 5 -0.696 -2.065 -2.958 1.00 0.00 N ATOM 84 CA VAL A 5 -2.133 -2.255 -2.889 1.00 0.00 C ATOM 85 C VAL A 5 -2.501 -2.968 -1.598 1.00 0.00 C ATOM 86 O VAL A 5 -1.852 -3.932 -1.195 1.00 0.00 O ATOM 87 CB VAL A 5 -2.659 -3.044 -4.107 1.00 0.00 C ATOM 88 CG1 VAL A 5 -4.157 -3.295 -4.002 1.00 0.00 C ATOM 89 CG2 VAL A 5 -2.348 -2.288 -5.385 1.00 0.00 C ATOM 0 H VAL A 5 -0.189 -2.842 -3.383 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.604 -1.272 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.157 -4.011 -4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.495 -3.853 -4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.367 -3.871 -3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.683 -2.342 -3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.722 -2.850 -6.241 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.829 -1.310 -5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.270 -2.160 -5.479 1.00 0.00 H new ATOM 99 N TYR A 6 -3.542 -2.481 -0.958 1.00 0.00 N ATOM 100 CA TYR A 6 -3.954 -2.964 0.350 1.00 0.00 C ATOM 101 C TYR A 6 -5.125 -3.939 0.247 1.00 0.00 C ATOM 102 O TYR A 6 -5.974 -4.001 1.137 1.00 0.00 O ATOM 103 CB TYR A 6 -4.328 -1.764 1.221 1.00 0.00 C ATOM 104 CG TYR A 6 -4.719 -0.530 0.426 1.00 0.00 C ATOM 105 CD1 TYR A 6 -5.886 -0.497 -0.331 1.00 0.00 C ATOM 106 CD2 TYR A 6 -3.914 0.607 0.438 1.00 0.00 C ATOM 107 CE1 TYR A 6 -6.239 0.629 -1.050 1.00 0.00 C ATOM 108 CE2 TYR A 6 -4.266 1.739 -0.275 1.00 0.00 C ATOM 109 CZ TYR A 6 -5.429 1.745 -1.017 1.00 0.00 C ATOM 110 OH TYR A 6 -5.794 2.873 -1.722 1.00 0.00 O ATOM 0 H TYR A 6 -4.131 -1.736 -1.329 1.00 0.00 H new ATOM 0 HA TYR A 6 -3.125 -3.509 0.802 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.156 -2.043 1.872 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.485 -1.518 1.866 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -6.527 -1.366 -0.357 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.000 0.605 1.013 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -7.146 0.635 -1.636 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.633 2.614 -0.251 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.228 3.510 -1.117 1.00 0.00 H new ATOM 357 N ALA A 22 -1.434 -3.857 -15.389 1.00 0.00 N ATOM 358 CA ALA A 22 -0.883 -4.149 -14.070 1.00 0.00 C ATOM 359 C ALA A 22 -0.455 -5.602 -13.921 1.00 0.00 C ATOM 360 O ALA A 22 -1.138 -6.526 -14.371 1.00 0.00 O ATOM 361 CB ALA A 22 -1.895 -3.807 -12.990 1.00 0.00 C ATOM 0 HA ALA A 22 0.008 -3.531 -13.959 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.471 -4.030 -12.011 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.142 -2.747 -13.046 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.798 -4.399 -13.137 1.00 0.00 H new ATOM 367 N GLN A 23 0.681 -5.783 -13.277 1.00 0.00 N ATOM 368 CA GLN A 23 1.200 -7.101 -12.976 1.00 0.00 C ATOM 369 C GLN A 23 1.436 -7.229 -11.478 1.00 0.00 C ATOM 370 O GLN A 23 2.174 -6.430 -10.892 1.00 0.00 O ATOM 371 CB GLN A 23 2.508 -7.340 -13.737 1.00 0.00 C ATOM 372 CG GLN A 23 3.195 -8.653 -13.394 1.00 0.00 C ATOM 373 CD GLN A 23 4.523 -8.814 -14.109 1.00 0.00 C ATOM 374 OE1 GLN A 23 4.712 -8.302 -15.214 1.00 0.00 O ATOM 375 NE2 GLN A 23 5.456 -9.517 -13.483 1.00 0.00 N ATOM 0 H GLN A 23 1.271 -5.019 -12.947 1.00 0.00 H new ATOM 0 HA GLN A 23 0.473 -7.850 -13.289 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.302 -7.319 -14.807 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.193 -6.518 -13.528 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.356 -8.705 -12.317 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.540 -9.483 -13.659 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.260 -9.925 -12.569 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.370 -9.650 -13.915 1.00 0.00 H new ATOM 384 N LEU A 24 0.781 -8.199 -10.853 1.00 0.00 N ATOM 385 CA LEU A 24 1.046 -8.503 -9.460 1.00 0.00 C ATOM 386 C LEU A 24 2.463 -9.024 -9.319 1.00 0.00 C ATOM 387 O LEU A 24 2.768 -10.149 -9.716 1.00 0.00 O ATOM 388 CB LEU A 24 0.058 -9.533 -8.911 1.00 0.00 C ATOM 389 CG LEU A 24 0.352 -10.017 -7.483 1.00 0.00 C ATOM 390 CD1 LEU A 24 0.287 -8.863 -6.495 1.00 0.00 C ATOM 391 CD2 LEU A 24 -0.614 -11.118 -7.083 1.00 0.00 C ATOM 0 H LEU A 24 0.067 -8.783 -11.289 1.00 0.00 H new ATOM 0 HA LEU A 24 0.926 -7.586 -8.883 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.943 -9.102 -8.934 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.049 -10.396 -9.577 1.00 0.00 H new ATOM 0 HG LEU A 24 1.364 -10.422 -7.464 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.499 -9.231 -5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.025 -8.108 -6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.709 -8.421 -6.517 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.390 -11.448 -6.069 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.635 -10.739 -7.124 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.511 -11.959 -7.769 1.00 0.00 H new ATOM 403 N LEU A 25 3.326 -8.190 -8.778 1.00 0.00 N ATOM 404 CA LEU A 25 4.710 -8.554 -8.571 1.00 0.00 C ATOM 405 C LEU A 25 4.808 -9.655 -7.531 1.00 0.00 C ATOM 406 O LEU A 25 5.616 -10.576 -7.646 1.00 0.00 O ATOM 407 CB LEU A 25 5.497 -7.325 -8.133 1.00 0.00 C ATOM 408 CG LEU A 25 5.625 -6.234 -9.193 1.00 0.00 C ATOM 409 CD1 LEU A 25 6.404 -5.056 -8.644 1.00 0.00 C ATOM 410 CD2 LEU A 25 6.294 -6.779 -10.447 1.00 0.00 C ATOM 0 H LEU A 25 3.089 -7.246 -8.471 1.00 0.00 H new ATOM 0 HA LEU A 25 5.133 -8.928 -9.503 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.018 -6.900 -7.251 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.497 -7.639 -7.833 1.00 0.00 H new ATOM 0 HG LEU A 25 4.625 -5.894 -9.461 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.487 -4.286 -9.411 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.885 -4.649 -7.776 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.401 -5.384 -8.350 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.376 -5.986 -11.190 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.289 -7.147 -10.198 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.697 -7.596 -10.852 1.00 0.00 H new ATOM 422 N GLY A 26 3.965 -9.546 -6.523 1.00 0.00 N ATOM 423 CA GLY A 26 3.874 -10.561 -5.501 1.00 0.00 C ATOM 424 C GLY A 26 3.236 -10.012 -4.254 1.00 0.00 C ATOM 425 O GLY A 26 3.192 -8.790 -4.066 1.00 0.00 O ATOM 0 H GLY A 26 3.331 -8.758 -6.393 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.291 -11.404 -5.871 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.870 -10.939 -5.269 1.00 0.00 H new ATOM 429 N ASP A 27 2.720 -10.889 -3.408 1.00 0.00 N ATOM 430 CA ASP A 27 2.161 -10.453 -2.137 1.00 0.00 C ATOM 431 C ASP A 27 3.290 -9.953 -1.263 1.00 0.00 C ATOM 432 O ASP A 27 4.404 -10.477 -1.313 1.00 0.00 O ATOM 433 CB ASP A 27 1.436 -11.577 -1.390 1.00 0.00 C ATOM 434 CG ASP A 27 0.443 -12.344 -2.243 1.00 0.00 C ATOM 435 OD1 ASP A 27 0.868 -13.256 -2.980 1.00 0.00 O ATOM 436 OD2 ASP A 27 -0.772 -12.057 -2.162 1.00 0.00 O ATOM 0 H ASP A 27 2.676 -11.894 -3.574 1.00 0.00 H new ATOM 0 HA ASP A 27 1.431 -9.672 -2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.176 -12.274 -0.996 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.912 -11.152 -0.534 1.00 0.00 H new ATOM 441 N PHE A 28 3.010 -8.949 -0.475 1.00 0.00 N ATOM 442 CA PHE A 28 4.020 -8.376 0.398 1.00 0.00 C ATOM 443 C PHE A 28 3.433 -8.048 1.764 1.00 0.00 C ATOM 444 O PHE A 28 2.547 -7.203 1.886 1.00 0.00 O ATOM 445 CB PHE A 28 4.621 -7.127 -0.248 1.00 0.00 C ATOM 446 CG PHE A 28 5.707 -6.472 0.556 1.00 0.00 C ATOM 447 CD1 PHE A 28 6.694 -7.226 1.170 1.00 0.00 C ATOM 448 CD2 PHE A 28 5.737 -5.097 0.698 1.00 0.00 C ATOM 449 CE1 PHE A 28 7.690 -6.618 1.911 1.00 0.00 C ATOM 450 CE2 PHE A 28 6.726 -4.483 1.436 1.00 0.00 C ATOM 451 CZ PHE A 28 7.705 -5.243 2.045 1.00 0.00 C ATOM 0 H PHE A 28 2.093 -8.506 -0.414 1.00 0.00 H new ATOM 0 HA PHE A 28 4.812 -9.111 0.543 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.022 -7.396 -1.225 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.825 -6.402 -0.418 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.685 -8.301 1.068 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.975 -4.496 0.224 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.455 -7.216 2.384 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.735 -3.408 1.538 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.480 -4.764 2.624 1.00 0.00 H new ATOM 461 N SER A 29 3.921 -8.742 2.780 1.00 0.00 N ATOM 462 CA SER A 29 3.496 -8.503 4.143 1.00 0.00 C ATOM 463 C SER A 29 4.531 -7.664 4.889 1.00 0.00 C ATOM 464 O SER A 29 5.732 -7.946 4.840 1.00 0.00 O ATOM 465 CB SER A 29 3.266 -9.838 4.851 1.00 0.00 C ATOM 466 OG SER A 29 4.312 -10.753 4.563 1.00 0.00 O ATOM 0 H SER A 29 4.617 -9.481 2.681 1.00 0.00 H new ATOM 0 HA SER A 29 2.560 -7.945 4.131 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.205 -9.677 5.927 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.312 -10.261 4.537 1.00 0.00 H new ATOM 0 HG SER A 29 4.144 -11.599 5.028 1.00 0.00 H new ATOM 472 N ILE A 30 4.065 -6.619 5.553 1.00 0.00 N ATOM 473 CA ILE A 30 4.943 -5.754 6.320 1.00 0.00 C ATOM 474 C ILE A 30 4.573 -5.798 7.795 1.00 0.00 C ATOM 475 O ILE A 30 3.404 -5.663 8.159 1.00 0.00 O ATOM 476 CB ILE A 30 4.904 -4.301 5.804 1.00 0.00 C ATOM 477 CG1 ILE A 30 3.460 -3.817 5.659 1.00 0.00 C ATOM 478 CG2 ILE A 30 5.642 -4.192 4.485 1.00 0.00 C ATOM 479 CD1 ILE A 30 3.330 -2.445 5.032 1.00 0.00 C ATOM 0 H ILE A 30 3.081 -6.350 5.576 1.00 0.00 H new ATOM 0 HA ILE A 30 5.961 -6.124 6.196 1.00 0.00 H new ATOM 0 HB ILE A 30 5.402 -3.661 6.532 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.906 -4.535 5.055 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.992 -3.801 6.644 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.607 -3.161 4.132 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.681 -4.493 4.623 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.170 -4.844 3.749 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.276 -2.174 4.964 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.854 -1.713 5.647 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.766 -2.459 4.033 1.00 0.00 H new ATOM 491 N ASP A 31 5.573 -6.007 8.629 1.00 0.00 N ATOM 492 CA ASP A 31 5.362 -6.143 10.057 1.00 0.00 C ATOM 493 C ASP A 31 5.432 -4.794 10.744 1.00 0.00 C ATOM 494 O ASP A 31 6.113 -3.886 10.275 1.00 0.00 O ATOM 495 CB ASP A 31 6.390 -7.094 10.669 1.00 0.00 C ATOM 496 CG ASP A 31 6.074 -8.549 10.394 1.00 0.00 C ATOM 497 OD1 ASP A 31 5.248 -9.131 11.133 1.00 0.00 O ATOM 498 OD2 ASP A 31 6.657 -9.126 9.455 1.00 0.00 O ATOM 0 H ASP A 31 6.548 -6.087 8.339 1.00 0.00 H new ATOM 0 HA ASP A 31 4.366 -6.560 10.208 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.378 -6.859 10.272 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.433 -6.933 11.746 1.00 0.00 H new ATOM 503 N ASN A 32 4.715 -4.689 11.855 1.00 0.00 N ATOM 504 CA ASN A 32 4.613 -3.460 12.637 1.00 0.00 C ATOM 505 C ASN A 32 3.787 -2.408 11.896 1.00 0.00 C ATOM 506 O ASN A 32 4.038 -1.211 12.014 1.00 0.00 O ATOM 507 CB ASN A 32 5.997 -2.913 13.007 1.00 0.00 C ATOM 508 CG ASN A 32 6.740 -3.827 13.963 1.00 0.00 C ATOM 509 OD1 ASN A 32 6.131 -4.527 14.777 1.00 0.00 O ATOM 510 ND2 ASN A 32 8.057 -3.829 13.873 1.00 0.00 N ATOM 0 H ASN A 32 4.180 -5.465 12.245 1.00 0.00 H new ATOM 0 HA ASN A 32 4.097 -3.702 13.566 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.588 -2.782 12.100 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.887 -1.928 13.461 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.609 -4.424 14.490 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.522 -3.235 13.186 1.00 0.00 H new ATOM 517 N TYR A 33 2.783 -2.865 11.149 1.00 0.00 N ATOM 518 CA TYR A 33 1.824 -1.968 10.507 1.00 0.00 C ATOM 519 C TYR A 33 0.408 -2.495 10.712 1.00 0.00 C ATOM 520 O TYR A 33 0.207 -3.692 10.901 1.00 0.00 O ATOM 521 CB TYR A 33 2.106 -1.812 9.006 1.00 0.00 C ATOM 522 CG TYR A 33 3.481 -1.269 8.677 1.00 0.00 C ATOM 523 CD1 TYR A 33 3.719 0.098 8.632 1.00 0.00 C ATOM 524 CD2 TYR A 33 4.535 -2.124 8.402 1.00 0.00 C ATOM 525 CE1 TYR A 33 4.973 0.594 8.323 1.00 0.00 C ATOM 526 CE2 TYR A 33 5.790 -1.638 8.093 1.00 0.00 C ATOM 527 CZ TYR A 33 6.005 -0.279 8.054 1.00 0.00 C ATOM 528 OH TYR A 33 7.257 0.209 7.749 1.00 0.00 O ATOM 0 H TYR A 33 2.613 -3.855 10.973 1.00 0.00 H new ATOM 0 HA TYR A 33 1.926 -0.986 10.969 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.988 -2.783 8.525 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.355 -1.149 8.575 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.913 0.785 8.842 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.372 -3.191 8.430 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.142 1.660 8.293 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.599 -2.321 7.883 1.00 0.00 H new ATOM 0 HH TYR A 33 7.869 -0.539 7.587 1.00 0.00 H new ATOM 538 N GLN A 34 -0.569 -1.600 10.680 1.00 0.00 N ATOM 539 CA GLN A 34 -1.964 -1.973 10.906 1.00 0.00 C ATOM 540 C GLN A 34 -2.838 -1.448 9.777 1.00 0.00 C ATOM 541 O GLN A 34 -2.473 -0.479 9.108 1.00 0.00 O ATOM 542 CB GLN A 34 -2.447 -1.416 12.245 1.00 0.00 C ATOM 543 CG GLN A 34 -1.546 -1.788 13.406 1.00 0.00 C ATOM 544 CD GLN A 34 -1.953 -1.116 14.697 1.00 0.00 C ATOM 545 OE1 GLN A 34 -2.715 -1.668 15.487 1.00 0.00 O ATOM 546 NE2 GLN A 34 -1.453 0.090 14.911 1.00 0.00 N ATOM 0 H GLN A 34 -0.424 -0.607 10.499 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.036 -3.060 10.929 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.512 -0.330 12.177 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.454 -1.784 12.442 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.563 -2.869 13.543 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.519 -1.514 13.166 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.823 0.510 14.227 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.697 0.600 15.760 1.00 0.00 H new ATOM 555 N LEU A 35 -3.991 -2.074 9.575 1.00 0.00 N ATOM 556 CA LEU A 35 -4.868 -1.711 8.467 1.00 0.00 C ATOM 557 C LEU A 35 -6.182 -1.120 8.986 1.00 0.00 C ATOM 558 O LEU A 35 -6.811 -1.683 9.873 1.00 0.00 O ATOM 559 CB LEU A 35 -5.147 -2.945 7.597 1.00 0.00 C ATOM 560 CG LEU A 35 -5.688 -2.653 6.192 1.00 0.00 C ATOM 561 CD1 LEU A 35 -4.624 -1.974 5.341 1.00 0.00 C ATOM 562 CD2 LEU A 35 -6.160 -3.934 5.526 1.00 0.00 C ATOM 0 H LEU A 35 -4.340 -2.832 10.161 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.369 -0.953 7.863 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.224 -3.516 7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.862 -3.581 8.118 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.539 -1.978 6.285 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.025 -1.774 4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.329 -1.035 5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.755 -2.626 5.257 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.541 -3.707 4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.326 -4.631 5.446 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.953 -4.384 6.124 1.00 0.00 H new ATOM 574 N TYR A 36 -6.574 0.027 8.453 1.00 0.00 N ATOM 575 CA TYR A 36 -7.832 0.665 8.829 1.00 0.00 C ATOM 576 C TYR A 36 -8.923 0.398 7.805 1.00 0.00 C ATOM 577 O TYR A 36 -8.716 0.558 6.603 1.00 0.00 O ATOM 578 CB TYR A 36 -7.656 2.176 8.976 1.00 0.00 C ATOM 579 CG TYR A 36 -6.724 2.565 10.090 1.00 0.00 C ATOM 580 CD1 TYR A 36 -7.128 2.472 11.412 1.00 0.00 C ATOM 581 CD2 TYR A 36 -5.439 3.005 9.819 1.00 0.00 C ATOM 582 CE1 TYR A 36 -6.272 2.808 12.442 1.00 0.00 C ATOM 583 CE2 TYR A 36 -4.576 3.348 10.837 1.00 0.00 C ATOM 584 CZ TYR A 36 -4.997 3.244 12.153 1.00 0.00 C ATOM 585 OH TYR A 36 -4.145 3.574 13.184 1.00 0.00 O ATOM 0 H TYR A 36 -6.037 0.540 7.754 1.00 0.00 H new ATOM 0 HA TYR A 36 -8.129 0.234 9.785 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.278 2.583 8.038 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.630 2.632 9.152 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.127 2.132 11.640 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.108 3.080 8.794 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -6.600 2.730 13.468 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.579 3.695 10.611 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.362 3.035 13.973 1.00 0.00 H new ATOM 595 N SER A 37 -10.086 0.006 8.286 1.00 0.00 N ATOM 596 CA SER A 37 -11.246 -0.161 7.436 1.00 0.00 C ATOM 597 C SER A 37 -12.141 1.067 7.551 1.00 0.00 C ATOM 598 O SER A 37 -12.841 1.245 8.552 1.00 0.00 O ATOM 599 CB SER A 37 -12.013 -1.418 7.839 1.00 0.00 C ATOM 600 OG SER A 37 -11.151 -2.544 7.876 1.00 0.00 O ATOM 0 H SER A 37 -10.252 -0.204 9.270 1.00 0.00 H new ATOM 0 HA SER A 37 -10.924 -0.270 6.401 1.00 0.00 H new ATOM 0 HB2 SER A 37 -12.470 -1.272 8.818 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.823 -1.598 7.132 1.00 0.00 H new ATOM 0 HG SER A 37 -11.662 -3.338 8.138 1.00 0.00 H new ATOM 606 N LEU A 38 -12.074 1.938 6.549 1.00 0.00 N ATOM 607 CA LEU A 38 -12.885 3.151 6.544 1.00 0.00 C ATOM 608 C LEU A 38 -13.835 3.189 5.353 1.00 0.00 C ATOM 609 O LEU A 38 -14.423 4.227 5.053 1.00 0.00 O ATOM 610 CB LEU A 38 -12.009 4.413 6.556 1.00 0.00 C ATOM 611 CG LEU A 38 -10.848 4.449 5.561 1.00 0.00 C ATOM 612 CD1 LEU A 38 -10.614 5.871 5.081 1.00 0.00 C ATOM 613 CD2 LEU A 38 -9.583 3.908 6.210 1.00 0.00 C ATOM 0 H LEU A 38 -11.470 1.828 5.734 1.00 0.00 H new ATOM 0 HA LEU A 38 -13.481 3.133 7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.649 5.274 6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -11.602 4.536 7.560 1.00 0.00 H new ATOM 0 HG LEU A 38 -11.103 3.823 4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.785 5.884 4.373 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -11.515 6.243 4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.374 6.508 5.933 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.764 3.939 5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.329 4.518 7.077 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.749 2.878 6.527 1.00 0.00 H new ATOM 625 N GLY A 39 -13.981 2.060 4.672 1.00 0.00 N ATOM 626 CA GLY A 39 -14.910 1.974 3.555 1.00 0.00 C ATOM 627 C GLY A 39 -14.351 2.560 2.271 1.00 0.00 C ATOM 628 O GLY A 39 -14.380 1.910 1.224 1.00 0.00 O ATOM 0 H GLY A 39 -13.473 1.199 4.872 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -15.172 0.929 3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -15.831 2.496 3.815 1.00 0.00 H new ATOM 632 N HIS A 40 -13.847 3.790 2.355 1.00 0.00 N ATOM 633 CA HIS A 40 -13.265 4.472 1.202 1.00 0.00 C ATOM 634 C HIS A 40 -12.097 3.660 0.656 1.00 0.00 C ATOM 635 O HIS A 40 -11.949 3.499 -0.554 1.00 0.00 O ATOM 636 CB HIS A 40 -12.791 5.882 1.588 1.00 0.00 C ATOM 637 CG HIS A 40 -12.505 6.776 0.414 1.00 0.00 C ATOM 638 ND1 HIS A 40 -11.419 7.626 0.347 1.00 0.00 N ATOM 639 CD2 HIS A 40 -13.198 6.977 -0.728 1.00 0.00 C ATOM 640 CE1 HIS A 40 -11.463 8.309 -0.782 1.00 0.00 C ATOM 641 NE2 HIS A 40 -12.534 7.935 -1.455 1.00 0.00 N ATOM 0 H HIS A 40 -13.831 4.337 3.216 1.00 0.00 H new ATOM 0 HA HIS A 40 -14.030 4.565 0.431 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -13.552 6.351 2.212 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -11.889 5.797 2.195 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -10.695 7.713 1.060 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -14.110 6.475 -1.017 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -10.744 9.049 -1.101 1.00 0.00 H new ATOM 650 N TYR A 41 -11.286 3.142 1.567 1.00 0.00 N ATOM 651 CA TYR A 41 -10.150 2.301 1.220 1.00 0.00 C ATOM 652 C TYR A 41 -9.517 1.784 2.504 1.00 0.00 C ATOM 653 O TYR A 41 -9.675 2.402 3.554 1.00 0.00 O ATOM 654 CB TYR A 41 -9.111 3.092 0.406 1.00 0.00 C ATOM 655 CG TYR A 41 -8.271 4.026 1.247 1.00 0.00 C ATOM 656 CD1 TYR A 41 -8.821 5.159 1.831 1.00 0.00 C ATOM 657 CD2 TYR A 41 -6.928 3.755 1.475 1.00 0.00 C ATOM 658 CE1 TYR A 41 -8.051 5.994 2.615 1.00 0.00 C ATOM 659 CE2 TYR A 41 -6.156 4.584 2.259 1.00 0.00 C ATOM 660 CZ TYR A 41 -6.720 5.702 2.827 1.00 0.00 C ATOM 661 OH TYR A 41 -5.950 6.531 3.609 1.00 0.00 O ATOM 0 H TYR A 41 -11.398 3.293 2.570 1.00 0.00 H new ATOM 0 HA TYR A 41 -10.494 1.468 0.607 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.455 2.391 -0.110 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -9.626 3.670 -0.361 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.864 5.390 1.670 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.481 2.879 1.030 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -8.490 6.874 3.061 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.114 4.357 2.427 1.00 0.00 H new ATOM 0 HH TYR A 41 -6.068 7.459 3.317 1.00 0.00 H new ATOM 671 N PRO A 42 -8.842 0.631 2.461 1.00 0.00 N ATOM 672 CA PRO A 42 -8.034 0.156 3.587 1.00 0.00 C ATOM 673 C PRO A 42 -6.778 1.006 3.779 1.00 0.00 C ATOM 674 O PRO A 42 -5.884 1.013 2.934 1.00 0.00 O ATOM 675 CB PRO A 42 -7.656 -1.280 3.192 1.00 0.00 C ATOM 676 CG PRO A 42 -8.546 -1.625 2.048 1.00 0.00 C ATOM 677 CD PRO A 42 -8.844 -0.330 1.352 1.00 0.00 C ATOM 0 HA PRO A 42 -8.575 0.213 4.531 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.606 -1.345 2.906 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.803 -1.968 4.025 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -8.059 -2.328 1.372 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.463 -2.101 2.396 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.090 -0.088 0.603 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.805 -0.356 0.839 1.00 0.00 H new ATOM 685 N GLY A 43 -6.730 1.745 4.877 1.00 0.00 N ATOM 686 CA GLY A 43 -5.567 2.559 5.173 1.00 0.00 C ATOM 687 C GLY A 43 -4.555 1.792 5.996 1.00 0.00 C ATOM 688 O GLY A 43 -4.906 0.816 6.642 1.00 0.00 O ATOM 0 H GLY A 43 -7.476 1.796 5.570 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.106 2.891 4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.875 3.454 5.713 1.00 0.00 H new ATOM 692 N ALA A 44 -3.308 2.224 5.995 1.00 0.00 N ATOM 693 CA ALA A 44 -2.265 1.476 6.686 1.00 0.00 C ATOM 694 C ALA A 44 -1.273 2.406 7.368 1.00 0.00 C ATOM 695 O ALA A 44 -0.898 3.436 6.812 1.00 0.00 O ATOM 696 CB ALA A 44 -1.549 0.551 5.711 1.00 0.00 C ATOM 0 H ALA A 44 -2.992 3.076 5.532 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.739 0.874 7.461 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.772 -0.003 6.238 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.265 -0.149 5.281 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.096 1.142 4.915 1.00 0.00 H new ATOM 702 N VAL A 45 -0.855 2.039 8.576 1.00 0.00 N ATOM 703 CA VAL A 45 0.076 2.857 9.357 1.00 0.00 C ATOM 704 C VAL A 45 1.004 1.970 10.174 1.00 0.00 C ATOM 705 O VAL A 45 0.718 0.791 10.365 1.00 0.00 O ATOM 706 CB VAL A 45 -0.653 3.805 10.339 1.00 0.00 C ATOM 707 CG1 VAL A 45 -1.603 4.732 9.608 1.00 0.00 C ATOM 708 CG2 VAL A 45 -1.382 3.012 11.415 1.00 0.00 C ATOM 0 H VAL A 45 -1.146 1.178 9.039 1.00 0.00 H new ATOM 0 HA VAL A 45 0.636 3.453 8.637 1.00 0.00 H new ATOM 0 HB VAL A 45 0.100 4.424 10.826 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.099 5.385 10.326 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.044 5.337 8.894 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.350 4.142 9.077 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.887 3.699 12.094 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.117 2.357 10.949 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.664 2.412 11.974 1.00 0.00 H new ATOM 718 N PRO A 46 2.122 2.522 10.670 1.00 0.00 N ATOM 719 CA PRO A 46 3.012 1.809 11.590 1.00 0.00 C ATOM 720 C PRO A 46 2.339 1.560 12.940 1.00 0.00 C ATOM 721 O PRO A 46 1.527 2.366 13.397 1.00 0.00 O ATOM 722 CB PRO A 46 4.209 2.756 11.759 1.00 0.00 C ATOM 723 CG PRO A 46 4.085 3.754 10.656 1.00 0.00 C ATOM 724 CD PRO A 46 2.619 3.874 10.371 1.00 0.00 C ATOM 0 HA PRO A 46 3.292 0.827 11.209 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.189 3.244 12.734 1.00 0.00 H new ATOM 0 HB3 PRO A 46 5.152 2.213 11.693 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.505 4.716 10.951 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.629 3.426 9.770 1.00 0.00 H new ATOM 0 HD2 PRO A 46 2.144 4.628 10.999 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.429 4.156 9.335 1.00 0.00 H new ATOM 732 N GLY A 47 2.665 0.439 13.562 1.00 0.00 N ATOM 733 CA GLY A 47 2.080 0.092 14.838 1.00 0.00 C ATOM 734 C GLY A 47 2.450 -1.311 15.261 1.00 0.00 C ATOM 735 O GLY A 47 3.612 -1.592 15.544 1.00 0.00 O ATOM 0 H GLY A 47 3.332 -0.243 13.201 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.414 0.800 15.596 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.995 0.179 14.776 1.00 0.00 H new ATOM 739 N ASN A 48 1.470 -2.202 15.272 1.00 0.00 N ATOM 740 CA ASN A 48 1.698 -3.574 15.687 1.00 0.00 C ATOM 741 C ASN A 48 0.778 -4.519 14.917 1.00 0.00 C ATOM 742 O ASN A 48 -0.375 -4.730 15.294 1.00 0.00 O ATOM 743 CB ASN A 48 1.465 -3.721 17.193 1.00 0.00 C ATOM 744 CG ASN A 48 1.869 -5.087 17.715 1.00 0.00 C ATOM 745 OD1 ASN A 48 1.094 -6.039 17.659 1.00 0.00 O ATOM 746 ND2 ASN A 48 3.074 -5.188 18.254 1.00 0.00 N ATOM 0 H ASN A 48 0.509 -1.997 14.998 1.00 0.00 H new ATOM 0 HA ASN A 48 2.733 -3.836 15.467 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.030 -2.953 17.721 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.411 -3.549 17.412 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.387 -6.079 18.641 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.690 -4.375 18.282 1.00 0.00 H new ATOM 753 N GLY A 49 1.279 -5.026 13.804 1.00 0.00 N ATOM 754 CA GLY A 49 0.533 -5.977 13.001 1.00 0.00 C ATOM 755 C GLY A 49 1.318 -6.363 11.768 1.00 0.00 C ATOM 756 O GLY A 49 2.411 -5.852 11.560 1.00 0.00 O ATOM 0 H GLY A 49 2.201 -4.794 13.436 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.313 -6.866 13.592 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.423 -5.543 12.709 1.00 0.00 H new ATOM 760 N THR A 50 0.786 -7.254 10.954 1.00 0.00 N ATOM 761 CA THR A 50 1.452 -7.622 9.715 1.00 0.00 C ATOM 762 C THR A 50 0.519 -7.422 8.527 1.00 0.00 C ATOM 763 O THR A 50 -0.385 -8.223 8.297 1.00 0.00 O ATOM 764 CB THR A 50 1.932 -9.085 9.752 1.00 0.00 C ATOM 765 OG1 THR A 50 2.600 -9.347 10.996 1.00 0.00 O ATOM 766 CG2 THR A 50 2.879 -9.374 8.596 1.00 0.00 C ATOM 0 H THR A 50 -0.098 -7.734 11.124 1.00 0.00 H new ATOM 0 HA THR A 50 2.321 -6.974 9.604 1.00 0.00 H new ATOM 0 HB THR A 50 1.061 -9.734 9.659 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.560 -9.463 10.834 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.205 -10.413 8.643 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.365 -9.198 7.651 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.747 -8.718 8.664 1.00 0.00 H new ATOM 774 N VAL A 51 0.741 -6.355 7.774 1.00 0.00 N ATOM 775 CA VAL A 51 -0.125 -6.031 6.653 1.00 0.00 C ATOM 776 C VAL A 51 0.306 -6.809 5.424 1.00 0.00 C ATOM 777 O VAL A 51 1.321 -6.494 4.806 1.00 0.00 O ATOM 778 CB VAL A 51 -0.123 -4.517 6.327 1.00 0.00 C ATOM 779 CG1 VAL A 51 -1.023 -4.213 5.138 1.00 0.00 C ATOM 780 CG2 VAL A 51 -0.562 -3.704 7.533 1.00 0.00 C ATOM 0 H VAL A 51 1.511 -5.702 7.919 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.139 -6.309 6.940 1.00 0.00 H new ATOM 0 HB VAL A 51 0.898 -4.236 6.069 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.003 -3.143 4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.668 -4.759 4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.044 -4.519 5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.553 -2.644 7.280 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.570 -3.999 7.823 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.122 -3.885 8.362 1.00 0.00 H new ATOM 790 N HIS A 52 -0.446 -7.846 5.095 1.00 0.00 N ATOM 791 CA HIS A 52 -0.152 -8.640 3.925 1.00 0.00 C ATOM 792 C HIS A 52 -0.970 -8.168 2.737 1.00 0.00 C ATOM 793 O HIS A 52 -2.126 -8.552 2.560 1.00 0.00 O ATOM 794 CB HIS A 52 -0.323 -10.150 4.176 1.00 0.00 C ATOM 795 CG HIS A 52 -1.461 -10.588 5.048 1.00 0.00 C ATOM 796 ND1 HIS A 52 -2.466 -11.415 4.598 1.00 0.00 N ATOM 797 CD2 HIS A 52 -1.672 -10.431 6.376 1.00 0.00 C ATOM 798 CE1 HIS A 52 -3.241 -11.751 5.609 1.00 0.00 C ATOM 799 NE2 HIS A 52 -2.782 -11.168 6.699 1.00 0.00 N ATOM 0 H HIS A 52 -1.262 -8.153 5.624 1.00 0.00 H new ATOM 0 HA HIS A 52 0.902 -8.492 3.690 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.434 -10.640 3.209 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.601 -10.523 4.618 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.591 -11.720 3.633 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.077 -9.837 7.054 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.106 -12.395 5.554 1.00 0.00 H new ATOM 808 N GLY A 53 -0.352 -7.303 1.944 1.00 0.00 N ATOM 809 CA GLY A 53 -1.018 -6.728 0.799 1.00 0.00 C ATOM 810 C GLY A 53 -0.368 -7.138 -0.506 1.00 0.00 C ATOM 811 O GLY A 53 0.290 -8.179 -0.582 1.00 0.00 O ATOM 0 H GLY A 53 0.609 -6.989 2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.063 -7.037 0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.008 -5.641 0.883 1.00 0.00 H new ATOM 815 N GLU A 54 -0.526 -6.305 -1.521 1.00 0.00 N ATOM 816 CA GLU A 54 -0.096 -6.646 -2.867 1.00 0.00 C ATOM 817 C GLU A 54 0.812 -5.566 -3.453 1.00 0.00 C ATOM 818 O GLU A 54 0.436 -4.399 -3.509 1.00 0.00 O ATOM 819 CB GLU A 54 -1.318 -6.794 -3.770 1.00 0.00 C ATOM 820 CG GLU A 54 -2.374 -7.756 -3.252 1.00 0.00 C ATOM 821 CD GLU A 54 -3.660 -7.682 -4.052 1.00 0.00 C ATOM 822 OE1 GLU A 54 -3.687 -8.201 -5.189 1.00 0.00 O ATOM 823 OE2 GLU A 54 -4.653 -7.125 -3.542 1.00 0.00 O ATOM 0 H GLU A 54 -0.952 -5.382 -1.437 1.00 0.00 H new ATOM 0 HA GLU A 54 0.460 -7.582 -2.813 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.774 -5.813 -3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.989 -7.131 -4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.984 -8.773 -3.287 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.585 -7.532 -2.206 1.00 0.00 H new ATOM 830 N VAL A 55 2.003 -5.947 -3.888 1.00 0.00 N ATOM 831 CA VAL A 55 2.857 -5.020 -4.633 1.00 0.00 C ATOM 832 C VAL A 55 2.628 -5.187 -6.135 1.00 0.00 C ATOM 833 O VAL A 55 2.839 -6.268 -6.689 1.00 0.00 O ATOM 834 CB VAL A 55 4.354 -5.218 -4.301 1.00 0.00 C ATOM 835 CG1 VAL A 55 5.231 -4.257 -5.095 1.00 0.00 C ATOM 836 CG2 VAL A 55 4.592 -5.035 -2.813 1.00 0.00 C ATOM 0 H VAL A 55 2.400 -6.875 -3.744 1.00 0.00 H new ATOM 0 HA VAL A 55 2.584 -4.009 -4.332 1.00 0.00 H new ATOM 0 HB VAL A 55 4.627 -6.235 -4.584 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.277 -4.422 -4.838 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.087 -4.430 -6.162 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.956 -3.230 -4.854 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.650 -5.177 -2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.292 -4.030 -2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.005 -5.767 -2.258 1.00 0.00 H new ATOM 846 N TYR A 56 2.178 -4.122 -6.788 1.00 0.00 N ATOM 847 CA TYR A 56 1.869 -4.177 -8.215 1.00 0.00 C ATOM 848 C TYR A 56 2.771 -3.264 -9.030 1.00 0.00 C ATOM 849 O TYR A 56 3.197 -2.205 -8.562 1.00 0.00 O ATOM 850 CB TYR A 56 0.418 -3.759 -8.477 1.00 0.00 C ATOM 851 CG TYR A 56 -0.605 -4.853 -8.312 1.00 0.00 C ATOM 852 CD1 TYR A 56 -1.023 -5.255 -7.057 1.00 0.00 C ATOM 853 CD2 TYR A 56 -1.165 -5.471 -9.422 1.00 0.00 C ATOM 854 CE1 TYR A 56 -1.969 -6.246 -6.908 1.00 0.00 C ATOM 855 CE2 TYR A 56 -2.114 -6.464 -9.282 1.00 0.00 C ATOM 856 CZ TYR A 56 -2.512 -6.846 -8.018 1.00 0.00 C ATOM 857 OH TYR A 56 -3.449 -7.842 -7.859 1.00 0.00 O ATOM 0 H TYR A 56 2.019 -3.212 -6.355 1.00 0.00 H new ATOM 0 HA TYR A 56 2.030 -5.211 -8.521 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.165 -2.942 -7.802 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.347 -3.367 -9.492 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.602 -4.785 -6.180 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.853 -5.170 -10.411 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.283 -6.550 -5.920 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.541 -6.937 -10.154 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.783 -7.833 -6.938 1.00 0.00 H new ATOM 867 N ARG A 57 3.045 -3.688 -10.256 1.00 0.00 N ATOM 868 CA ARG A 57 3.708 -2.844 -11.234 1.00 0.00 C ATOM 869 C ARG A 57 2.690 -2.407 -12.279 1.00 0.00 C ATOM 870 O ARG A 57 2.142 -3.238 -13.006 1.00 0.00 O ATOM 871 CB ARG A 57 4.872 -3.583 -11.904 1.00 0.00 C ATOM 872 CG ARG A 57 5.627 -2.726 -12.909 1.00 0.00 C ATOM 873 CD ARG A 57 6.849 -3.441 -13.463 1.00 0.00 C ATOM 874 NE ARG A 57 6.498 -4.630 -14.240 1.00 0.00 N ATOM 875 CZ ARG A 57 7.388 -5.536 -14.643 1.00 0.00 C ATOM 876 NH1 ARG A 57 8.677 -5.360 -14.396 1.00 0.00 N ATOM 877 NH2 ARG A 57 6.992 -6.612 -15.311 1.00 0.00 N ATOM 0 H ARG A 57 2.815 -4.621 -10.597 1.00 0.00 H new ATOM 0 HA ARG A 57 4.119 -1.971 -10.728 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.565 -3.927 -11.136 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.489 -4.470 -12.408 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.961 -2.458 -13.729 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.936 -1.796 -12.432 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.414 -2.753 -14.092 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.502 -3.729 -12.639 1.00 0.00 H new ATOM 0 HE ARG A 57 5.519 -4.773 -14.487 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.992 -4.529 -13.896 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.355 -6.056 -14.706 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.003 -6.748 -15.518 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.677 -7.303 -15.617 1.00 0.00 H new ATOM 891 N ILE A 58 2.418 -1.112 -12.327 1.00 0.00 N ATOM 892 CA ILE A 58 1.436 -0.559 -13.253 1.00 0.00 C ATOM 893 C ILE A 58 2.063 0.576 -14.055 1.00 0.00 C ATOM 894 O ILE A 58 3.212 0.941 -13.813 1.00 0.00 O ATOM 895 CB ILE A 58 0.163 -0.030 -12.531 1.00 0.00 C ATOM 896 CG1 ILE A 58 0.419 1.301 -11.800 1.00 0.00 C ATOM 897 CG2 ILE A 58 -0.372 -1.069 -11.554 1.00 0.00 C ATOM 898 CD1 ILE A 58 1.264 1.196 -10.549 1.00 0.00 C ATOM 0 H ILE A 58 2.867 -0.417 -11.730 1.00 0.00 H new ATOM 0 HA ILE A 58 1.129 -1.371 -13.912 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.585 0.156 -13.302 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.906 1.989 -12.491 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.542 1.742 -11.534 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.262 -0.679 -11.060 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.627 -1.980 -12.095 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.390 -1.292 -10.807 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.386 2.185 -10.108 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.773 0.538 -9.832 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.242 0.789 -10.804 1.00 0.00 H new ATOM 910 N ASP A 59 1.325 1.113 -15.021 1.00 0.00 N ATOM 911 CA ASP A 59 1.786 2.270 -15.789 1.00 0.00 C ATOM 912 C ASP A 59 2.203 3.410 -14.862 1.00 0.00 C ATOM 913 O ASP A 59 1.601 3.617 -13.805 1.00 0.00 O ATOM 914 CB ASP A 59 0.697 2.767 -16.744 1.00 0.00 C ATOM 915 CG ASP A 59 0.348 1.759 -17.819 1.00 0.00 C ATOM 916 OD1 ASP A 59 1.108 1.643 -18.804 1.00 0.00 O ATOM 917 OD2 ASP A 59 -0.688 1.078 -17.687 1.00 0.00 O ATOM 0 H ASP A 59 0.405 0.767 -15.293 1.00 0.00 H new ATOM 0 HA ASP A 59 2.649 1.949 -16.372 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.200 3.005 -16.172 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.029 3.692 -17.215 1.00 0.00 H new ATOM 922 N ASN A 60 3.236 4.149 -15.253 1.00 0.00 N ATOM 923 CA ASN A 60 3.655 5.330 -14.502 1.00 0.00 C ATOM 924 C ASN A 60 2.506 6.335 -14.452 1.00 0.00 C ATOM 925 O ASN A 60 2.288 7.015 -13.443 1.00 0.00 O ATOM 926 CB ASN A 60 4.879 5.985 -15.153 1.00 0.00 C ATOM 927 CG ASN A 60 6.155 5.185 -14.963 1.00 0.00 C ATOM 928 OD1 ASN A 60 6.127 3.964 -14.829 1.00 0.00 O ATOM 929 ND2 ASN A 60 7.282 5.874 -14.944 1.00 0.00 N ATOM 0 H ASN A 60 3.797 3.953 -16.082 1.00 0.00 H new ATOM 0 HA ASN A 60 3.924 5.021 -13.492 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.692 6.111 -16.219 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.016 6.982 -14.733 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.172 5.393 -14.814 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.262 6.887 -15.059 1.00 0.00 H new ATOM 936 N ALA A 61 1.760 6.395 -15.553 1.00 0.00 N ATOM 937 CA ALA A 61 0.635 7.307 -15.689 1.00 0.00 C ATOM 938 C ALA A 61 -0.455 7.023 -14.663 1.00 0.00 C ATOM 939 O ALA A 61 -1.154 7.935 -14.239 1.00 0.00 O ATOM 940 CB ALA A 61 0.060 7.224 -17.092 1.00 0.00 C ATOM 0 H ALA A 61 1.921 5.811 -16.374 1.00 0.00 H new ATOM 0 HA ALA A 61 1.007 8.315 -15.507 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.781 7.911 -17.182 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.828 7.494 -17.817 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.280 6.207 -17.286 1.00 0.00 H new ATOM 946 N THR A 62 -0.605 5.760 -14.278 1.00 0.00 N ATOM 947 CA THR A 62 -1.598 5.377 -13.284 1.00 0.00 C ATOM 948 C THR A 62 -1.396 6.156 -11.985 1.00 0.00 C ATOM 949 O THR A 62 -2.356 6.604 -11.361 1.00 0.00 O ATOM 950 CB THR A 62 -1.531 3.863 -13.005 1.00 0.00 C ATOM 951 OG1 THR A 62 -1.606 3.145 -14.242 1.00 0.00 O ATOM 952 CG2 THR A 62 -2.665 3.425 -12.090 1.00 0.00 C ATOM 0 H THR A 62 -0.050 4.984 -14.640 1.00 0.00 H new ATOM 0 HA THR A 62 -2.583 5.618 -13.684 1.00 0.00 H new ATOM 0 HB THR A 62 -0.586 3.646 -12.507 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.562 2.182 -14.065 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.593 2.352 -11.910 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.594 3.958 -11.142 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.621 3.651 -12.562 1.00 0.00 H new ATOM 960 N LEU A 63 -0.135 6.330 -11.600 1.00 0.00 N ATOM 961 CA LEU A 63 0.196 7.078 -10.394 1.00 0.00 C ATOM 962 C LEU A 63 -0.149 8.536 -10.602 1.00 0.00 C ATOM 963 O LEU A 63 -0.782 9.162 -9.759 1.00 0.00 O ATOM 964 CB LEU A 63 1.677 6.947 -10.037 1.00 0.00 C ATOM 965 CG LEU A 63 2.081 7.647 -8.736 1.00 0.00 C ATOM 966 CD1 LEU A 63 1.485 6.931 -7.534 1.00 0.00 C ATOM 967 CD2 LEU A 63 3.593 7.733 -8.614 1.00 0.00 C ATOM 0 H LEU A 63 0.672 5.964 -12.105 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.384 6.666 -9.568 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.926 5.889 -9.958 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.272 7.355 -10.854 1.00 0.00 H new ATOM 0 HG LEU A 63 1.685 8.662 -8.761 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.784 7.444 -6.620 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.398 6.932 -7.612 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.846 5.903 -7.507 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.855 8.234 -7.682 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.016 6.728 -8.617 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.994 8.298 -9.455 1.00 0.00 H new ATOM 979 N ALA A 64 0.262 9.057 -11.753 1.00 0.00 N ATOM 980 CA ALA A 64 -0.026 10.436 -12.117 1.00 0.00 C ATOM 981 C ALA A 64 -1.531 10.679 -12.140 1.00 0.00 C ATOM 982 O ALA A 64 -2.000 11.782 -11.846 1.00 0.00 O ATOM 983 CB ALA A 64 0.585 10.763 -13.470 1.00 0.00 C ATOM 0 H ALA A 64 0.798 8.541 -12.451 1.00 0.00 H new ATOM 0 HA ALA A 64 0.417 11.092 -11.368 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.362 11.798 -13.730 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.665 10.626 -13.424 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.167 10.100 -14.228 1.00 0.00 H new ATOM 989 N GLU A 65 -2.281 9.640 -12.492 1.00 0.00 N ATOM 990 CA GLU A 65 -3.737 9.725 -12.523 1.00 0.00 C ATOM 991 C GLU A 65 -4.301 9.671 -11.107 1.00 0.00 C ATOM 992 O GLU A 65 -5.198 10.439 -10.753 1.00 0.00 O ATOM 993 CB GLU A 65 -4.322 8.606 -13.392 1.00 0.00 C ATOM 994 CG GLU A 65 -5.842 8.627 -13.485 1.00 0.00 C ATOM 995 CD GLU A 65 -6.375 7.754 -14.606 1.00 0.00 C ATOM 996 OE1 GLU A 65 -6.334 6.510 -14.488 1.00 0.00 O ATOM 997 OE2 GLU A 65 -6.845 8.309 -15.619 1.00 0.00 O ATOM 0 H GLU A 65 -1.905 8.730 -12.760 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.023 10.679 -12.966 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.905 8.684 -14.396 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.006 7.644 -12.989 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.264 8.292 -12.538 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.178 9.653 -13.638 1.00 0.00 H new ATOM 1004 N LEU A 66 -3.755 8.772 -10.296 1.00 0.00 N ATOM 1005 CA LEU A 66 -4.187 8.625 -8.913 1.00 0.00 C ATOM 1006 C LEU A 66 -3.893 9.898 -8.124 1.00 0.00 C ATOM 1007 O LEU A 66 -4.724 10.352 -7.339 1.00 0.00 O ATOM 1008 CB LEU A 66 -3.505 7.407 -8.269 1.00 0.00 C ATOM 1009 CG LEU A 66 -3.916 7.091 -6.823 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -3.761 5.610 -6.540 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -3.072 7.873 -5.834 1.00 0.00 C ATOM 0 H LEU A 66 -3.010 8.133 -10.574 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.264 8.460 -8.897 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.713 6.532 -8.884 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.427 7.565 -8.293 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.961 7.380 -6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.056 5.403 -5.511 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.394 5.041 -7.221 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.721 5.319 -6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.384 7.631 -4.818 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.022 7.610 -5.964 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.203 8.941 -6.009 1.00 0.00 H new ATOM 1023 N ASP A 67 -2.711 10.469 -8.339 1.00 0.00 N ATOM 1024 CA ASP A 67 -2.325 11.715 -7.681 1.00 0.00 C ATOM 1025 C ASP A 67 -3.299 12.833 -8.022 1.00 0.00 C ATOM 1026 O ASP A 67 -3.826 13.502 -7.132 1.00 0.00 O ATOM 1027 CB ASP A 67 -0.908 12.129 -8.082 1.00 0.00 C ATOM 1028 CG ASP A 67 0.145 11.640 -7.108 1.00 0.00 C ATOM 1029 OD1 ASP A 67 0.161 12.128 -5.954 1.00 0.00 O ATOM 1030 OD2 ASP A 67 0.973 10.783 -7.490 1.00 0.00 O ATOM 0 H ASP A 67 -2.002 10.088 -8.965 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.350 11.540 -6.605 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.687 11.738 -9.075 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.857 13.216 -8.149 1.00 0.00 H new ATOM 1035 N ALA A 68 -3.554 13.008 -9.313 1.00 0.00 N ATOM 1036 CA ALA A 68 -4.452 14.055 -9.785 1.00 0.00 C ATOM 1037 C ALA A 68 -5.843 13.913 -9.177 1.00 0.00 C ATOM 1038 O ALA A 68 -6.563 14.895 -9.019 1.00 0.00 O ATOM 1039 CB ALA A 68 -4.535 14.035 -11.303 1.00 0.00 C ATOM 0 H ALA A 68 -3.150 12.436 -10.054 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.044 15.014 -9.464 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.209 14.822 -11.641 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.543 14.201 -11.724 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.912 13.067 -11.634 1.00 0.00 H new ATOM 1045 N LEU A 69 -6.225 12.689 -8.852 1.00 0.00 N ATOM 1046 CA LEU A 69 -7.509 12.439 -8.227 1.00 0.00 C ATOM 1047 C LEU A 69 -7.453 12.575 -6.707 1.00 0.00 C ATOM 1048 O LEU A 69 -8.206 13.348 -6.115 1.00 0.00 O ATOM 1049 CB LEU A 69 -8.018 11.049 -8.605 1.00 0.00 C ATOM 1050 CG LEU A 69 -8.675 10.954 -9.980 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -9.071 9.516 -10.283 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -9.888 11.868 -10.032 1.00 0.00 C ATOM 0 H LEU A 69 -5.662 11.853 -9.012 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.198 13.198 -8.598 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.182 10.350 -8.569 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.737 10.725 -7.852 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.961 11.274 -10.739 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.538 9.467 -11.267 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.183 8.884 -10.271 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.776 9.166 -9.529 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.355 11.798 -11.015 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.604 11.566 -9.268 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.576 12.897 -9.851 1.00 0.00 H new ATOM 1064 N ARG A 70 -6.553 11.830 -6.084 1.00 0.00 N ATOM 1065 CA ARG A 70 -6.567 11.670 -4.635 1.00 0.00 C ATOM 1066 C ARG A 70 -5.825 12.794 -3.912 1.00 0.00 C ATOM 1067 O ARG A 70 -6.314 13.336 -2.918 1.00 0.00 O ATOM 1068 CB ARG A 70 -5.964 10.311 -4.257 1.00 0.00 C ATOM 1069 CG ARG A 70 -5.946 10.034 -2.762 1.00 0.00 C ATOM 1070 CD ARG A 70 -5.306 8.686 -2.445 1.00 0.00 C ATOM 1071 NE ARG A 70 -6.097 7.561 -2.953 1.00 0.00 N ATOM 1072 CZ ARG A 70 -5.759 6.276 -2.821 1.00 0.00 C ATOM 1073 NH1 ARG A 70 -4.639 5.929 -2.191 1.00 0.00 N ATOM 1074 NH2 ARG A 70 -6.551 5.335 -3.319 1.00 0.00 N ATOM 0 H ARG A 70 -5.803 11.326 -6.557 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.607 11.718 -4.313 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.530 9.523 -4.755 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.944 10.260 -4.637 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.398 10.826 -2.252 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.965 10.052 -2.376 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.307 8.650 -2.879 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.189 8.587 -1.366 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.966 7.775 -3.442 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.028 6.648 -1.803 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.391 4.944 -2.096 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.412 5.595 -3.799 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.298 4.352 -3.221 1.00 0.00 H new ATOM 1088 N THR A 71 -4.651 13.160 -4.403 1.00 0.00 N ATOM 1089 CA THR A 71 -3.788 14.061 -3.648 1.00 0.00 C ATOM 1090 C THR A 71 -3.941 15.502 -4.109 1.00 0.00 C ATOM 1091 O THR A 71 -3.423 16.420 -3.474 1.00 0.00 O ATOM 1092 CB THR A 71 -2.313 13.637 -3.722 1.00 0.00 C ATOM 1093 OG1 THR A 71 -1.831 13.726 -5.069 1.00 0.00 O ATOM 1094 CG2 THR A 71 -2.155 12.218 -3.217 1.00 0.00 C ATOM 0 H THR A 71 -4.278 12.856 -5.302 1.00 0.00 H new ATOM 0 HA THR A 71 -4.108 13.997 -2.608 1.00 0.00 H new ATOM 0 HB THR A 71 -1.729 14.310 -3.095 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.101 13.085 -5.198 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.106 11.926 -3.273 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.493 12.160 -2.182 1.00 0.00 H new ATOM 0 HG23 THR A 71 -2.752 11.544 -3.832 1.00 0.00 H new ATOM 1140 N GLU A 75 -5.750 14.518 0.763 1.00 0.00 N ATOM 1141 CA GLU A 75 -6.414 13.563 1.614 1.00 0.00 C ATOM 1142 C GLU A 75 -5.449 12.823 2.531 1.00 0.00 C ATOM 1143 O GLU A 75 -5.630 12.824 3.748 1.00 0.00 O ATOM 1144 CB GLU A 75 -7.191 12.564 0.767 1.00 0.00 C ATOM 1145 CG GLU A 75 -8.516 13.087 0.247 1.00 0.00 C ATOM 1146 CD GLU A 75 -9.417 11.971 -0.242 1.00 0.00 C ATOM 1147 OE1 GLU A 75 -10.178 11.416 0.585 1.00 0.00 O ATOM 1148 OE2 GLU A 75 -9.364 11.640 -1.442 1.00 0.00 O ATOM 0 HA GLU A 75 -7.098 14.124 2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.574 12.265 -0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.374 11.668 1.359 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.022 13.641 1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.334 13.788 -0.567 1.00 0.00 H new ATOM 1155 N TYR A 76 -4.422 12.199 1.965 1.00 0.00 N ATOM 1156 CA TYR A 76 -3.606 11.267 2.739 1.00 0.00 C ATOM 1157 C TYR A 76 -2.128 11.553 2.546 1.00 0.00 C ATOM 1158 O TYR A 76 -1.756 12.356 1.692 1.00 0.00 O ATOM 1159 CB TYR A 76 -3.924 9.821 2.336 1.00 0.00 C ATOM 1160 CG TYR A 76 -5.407 9.559 2.174 1.00 0.00 C ATOM 1161 CD1 TYR A 76 -6.291 9.777 3.226 1.00 0.00 C ATOM 1162 CD2 TYR A 76 -5.928 9.134 0.958 1.00 0.00 C ATOM 1163 CE1 TYR A 76 -7.648 9.573 3.072 1.00 0.00 C ATOM 1164 CE2 TYR A 76 -7.286 8.934 0.794 1.00 0.00 C ATOM 1165 CZ TYR A 76 -8.140 9.153 1.855 1.00 0.00 C ATOM 1166 OH TYR A 76 -9.493 8.971 1.691 1.00 0.00 O ATOM 0 H TYR A 76 -4.137 12.317 0.993 1.00 0.00 H new ATOM 0 HA TYR A 76 -3.845 11.400 3.794 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.417 9.592 1.399 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -3.522 9.144 3.090 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -5.909 10.111 4.179 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.261 8.957 0.127 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.320 9.742 3.900 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.676 8.608 -0.159 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.886 9.778 1.298 1.00 0.00 H new ATOM 1176 N ALA A 77 -1.293 10.908 3.348 1.00 0.00 N ATOM 1177 CA ALA A 77 0.147 11.092 3.253 1.00 0.00 C ATOM 1178 C ALA A 77 0.771 10.073 2.308 1.00 0.00 C ATOM 1179 O ALA A 77 0.278 8.952 2.170 1.00 0.00 O ATOM 1180 CB ALA A 77 0.789 10.993 4.626 1.00 0.00 C ATOM 0 H ALA A 77 -1.588 10.253 4.072 1.00 0.00 H new ATOM 0 HA ALA A 77 0.329 12.088 2.849 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.866 11.133 4.535 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.376 11.764 5.277 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.586 10.011 5.053 1.00 0.00 H new ATOM 1186 N ARG A 78 1.860 10.473 1.670 1.00 0.00 N ATOM 1187 CA ARG A 78 2.584 9.613 0.748 1.00 0.00 C ATOM 1188 C ARG A 78 3.835 9.061 1.419 1.00 0.00 C ATOM 1189 O ARG A 78 4.562 9.785 2.099 1.00 0.00 O ATOM 1190 CB ARG A 78 2.953 10.398 -0.515 1.00 0.00 C ATOM 1191 CG ARG A 78 3.907 9.680 -1.463 1.00 0.00 C ATOM 1192 CD ARG A 78 3.254 8.502 -2.168 1.00 0.00 C ATOM 1193 NE ARG A 78 2.196 8.919 -3.093 1.00 0.00 N ATOM 1194 CZ ARG A 78 2.403 9.288 -4.364 1.00 0.00 C ATOM 1195 NH1 ARG A 78 3.633 9.345 -4.864 1.00 0.00 N ATOM 1196 NH2 ARG A 78 1.372 9.605 -5.130 1.00 0.00 N ATOM 0 H ARG A 78 2.266 11.402 1.777 1.00 0.00 H new ATOM 0 HA ARG A 78 1.947 8.775 0.465 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.038 10.637 -1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.404 11.345 -0.218 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.274 10.387 -2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.774 9.329 -0.903 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.013 7.945 -2.717 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.836 7.824 -1.424 1.00 0.00 H new ATOM 0 HE ARG A 78 1.237 8.929 -2.745 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.433 9.106 -4.278 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.777 9.628 -5.833 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.425 9.568 -4.752 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.524 9.887 -6.099 1.00 0.00 H new ATOM 1210 N GLN A 79 4.057 7.776 1.244 1.00 0.00 N ATOM 1211 CA GLN A 79 5.229 7.106 1.787 1.00 0.00 C ATOM 1212 C GLN A 79 5.824 6.201 0.718 1.00 0.00 C ATOM 1213 O GLN A 79 5.111 5.753 -0.175 1.00 0.00 O ATOM 1214 CB GLN A 79 4.838 6.295 3.034 1.00 0.00 C ATOM 1215 CG GLN A 79 6.011 5.623 3.733 1.00 0.00 C ATOM 1216 CD GLN A 79 5.638 5.036 5.086 1.00 0.00 C ATOM 1217 OE1 GLN A 79 4.375 4.673 5.255 1.00 0.00 O flip ATOM 1218 NE2 GLN A 79 6.478 4.923 5.979 1.00 0.00 N flip ATOM 0 H GLN A 79 3.432 7.162 0.721 1.00 0.00 H new ATOM 0 HA GLN A 79 5.975 7.844 2.082 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.338 6.956 3.742 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.115 5.532 2.746 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.402 4.831 3.095 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.812 6.350 3.867 1.00 0.00 H new ATOM 0 HE21 GLN A 79 7.442 5.213 5.812 1.00 0.00 H new ATOM 0 HE22 GLN A 79 6.210 4.539 6.885 1.00 0.00 H new ATOM 1227 N LEU A 80 7.121 5.954 0.783 1.00 0.00 N ATOM 1228 CA LEU A 80 7.759 5.053 -0.160 1.00 0.00 C ATOM 1229 C LEU A 80 8.389 3.878 0.573 1.00 0.00 C ATOM 1230 O LEU A 80 9.301 4.054 1.383 1.00 0.00 O ATOM 1231 CB LEU A 80 8.814 5.784 -0.989 1.00 0.00 C ATOM 1232 CG LEU A 80 9.505 4.920 -2.045 1.00 0.00 C ATOM 1233 CD1 LEU A 80 8.485 4.361 -3.024 1.00 0.00 C ATOM 1234 CD2 LEU A 80 10.562 5.723 -2.786 1.00 0.00 C ATOM 0 H LEU A 80 7.750 6.362 1.475 1.00 0.00 H new ATOM 0 HA LEU A 80 6.993 4.677 -0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 80 8.343 6.633 -1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.571 6.187 -0.316 1.00 0.00 H new ATOM 0 HG LEU A 80 9.995 4.088 -1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.993 3.749 -3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.760 3.750 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.969 5.183 -3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 80 11.042 5.091 -3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 80 10.093 6.575 -3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.310 6.080 -2.078 1.00 0.00 H new ATOM 1246 N ILE A 81 7.909 2.681 0.287 1.00 0.00 N ATOM 1247 CA ILE A 81 8.406 1.489 0.949 1.00 0.00 C ATOM 1248 C ILE A 81 9.229 0.632 -0.001 1.00 0.00 C ATOM 1249 O ILE A 81 8.978 0.590 -1.205 1.00 0.00 O ATOM 1250 CB ILE A 81 7.270 0.639 1.542 1.00 0.00 C ATOM 1251 CG1 ILE A 81 6.238 0.293 0.468 1.00 0.00 C ATOM 1252 CG2 ILE A 81 6.614 1.387 2.690 1.00 0.00 C ATOM 1253 CD1 ILE A 81 5.471 -0.975 0.757 1.00 0.00 C ATOM 0 H ILE A 81 7.175 2.509 -0.400 1.00 0.00 H new ATOM 0 HA ILE A 81 9.040 1.835 1.765 1.00 0.00 H new ATOM 0 HB ILE A 81 7.689 -0.293 1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.534 1.120 0.371 1.00 0.00 H new ATOM 0 HG13 ILE A 81 6.744 0.191 -0.492 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.810 0.781 3.107 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.355 1.588 3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.206 2.329 2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.757 -1.159 -0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.165 -1.813 0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.937 -0.870 1.701 1.00 0.00 H new ATOM 1265 N GLN A 82 10.205 -0.055 0.557 1.00 0.00 N ATOM 1266 CA GLN A 82 11.105 -0.889 -0.220 1.00 0.00 C ATOM 1267 C GLN A 82 10.639 -2.340 -0.191 1.00 0.00 C ATOM 1268 O GLN A 82 10.415 -2.908 0.878 1.00 0.00 O ATOM 1269 CB GLN A 82 12.528 -0.764 0.341 1.00 0.00 C ATOM 1270 CG GLN A 82 13.525 -1.701 -0.311 1.00 0.00 C ATOM 1271 CD GLN A 82 13.577 -1.513 -1.804 1.00 0.00 C ATOM 1272 OE1 GLN A 82 13.446 -0.399 -2.313 1.00 0.00 O ATOM 1273 NE2 GLN A 82 13.710 -2.608 -2.519 1.00 0.00 N ATOM 0 H GLN A 82 10.398 -0.052 1.559 1.00 0.00 H new ATOM 0 HA GLN A 82 11.103 -0.555 -1.257 1.00 0.00 H new ATOM 0 HB2 GLN A 82 12.871 0.263 0.213 1.00 0.00 H new ATOM 0 HB3 GLN A 82 12.505 -0.961 1.413 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.515 -1.529 0.111 1.00 0.00 H new ATOM 0 HG3 GLN A 82 13.256 -2.733 -0.084 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.816 -3.510 -2.055 1.00 0.00 H new ATOM 0 HE22 GLN A 82 13.707 -2.555 -3.538 1.00 0.00 H new ATOM 1282 N THR A 83 10.485 -2.933 -1.366 1.00 0.00 N ATOM 1283 CA THR A 83 9.972 -4.285 -1.463 1.00 0.00 C ATOM 1284 C THR A 83 10.971 -5.182 -2.184 1.00 0.00 C ATOM 1285 O THR A 83 11.843 -4.695 -2.901 1.00 0.00 O ATOM 1286 CB THR A 83 8.633 -4.293 -2.226 1.00 0.00 C ATOM 1287 OG1 THR A 83 8.862 -4.205 -3.636 1.00 0.00 O ATOM 1288 CG2 THR A 83 7.779 -3.115 -1.800 1.00 0.00 C ATOM 0 H THR A 83 10.708 -2.498 -2.261 1.00 0.00 H new ATOM 0 HA THR A 83 9.814 -4.665 -0.454 1.00 0.00 H new ATOM 0 HB THR A 83 8.118 -5.226 -1.995 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.193 -3.614 -4.040 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.836 -3.133 -2.347 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.580 -3.178 -0.730 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.307 -2.186 -2.016 1.00 0.00 H new ATOM 1296 N PRO A 84 10.867 -6.509 -2.010 1.00 0.00 N ATOM 1297 CA PRO A 84 11.695 -7.467 -2.753 1.00 0.00 C ATOM 1298 C PRO A 84 11.383 -7.438 -4.249 1.00 0.00 C ATOM 1299 O PRO A 84 12.105 -8.011 -5.063 1.00 0.00 O ATOM 1300 CB PRO A 84 11.314 -8.829 -2.155 1.00 0.00 C ATOM 1301 CG PRO A 84 10.623 -8.517 -0.868 1.00 0.00 C ATOM 1302 CD PRO A 84 9.966 -7.183 -1.062 1.00 0.00 C ATOM 0 HA PRO A 84 12.758 -7.242 -2.666 1.00 0.00 H new ATOM 0 HB2 PRO A 84 10.660 -9.384 -2.827 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.197 -9.446 -1.988 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.886 -9.283 -0.626 1.00 0.00 H new ATOM 0 HG3 PRO A 84 11.333 -8.485 -0.042 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.958 -7.284 -1.464 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.882 -6.634 -0.124 1.00 0.00 H new ATOM 1310 N TYR A 85 10.305 -6.745 -4.597 1.00 0.00 N ATOM 1311 CA TYR A 85 9.842 -6.667 -5.972 1.00 0.00 C ATOM 1312 C TYR A 85 10.137 -5.281 -6.546 1.00 0.00 C ATOM 1313 O TYR A 85 9.623 -4.904 -7.600 1.00 0.00 O ATOM 1314 CB TYR A 85 8.338 -6.946 -6.028 1.00 0.00 C ATOM 1315 CG TYR A 85 7.900 -8.085 -5.133 1.00 0.00 C ATOM 1316 CD1 TYR A 85 8.097 -9.410 -5.504 1.00 0.00 C ATOM 1317 CD2 TYR A 85 7.294 -7.830 -3.909 1.00 0.00 C ATOM 1318 CE1 TYR A 85 7.702 -10.448 -4.679 1.00 0.00 C ATOM 1319 CE2 TYR A 85 6.896 -8.860 -3.081 1.00 0.00 C ATOM 1320 CZ TYR A 85 7.101 -10.166 -3.469 1.00 0.00 C ATOM 1321 OH TYR A 85 6.707 -11.191 -2.639 1.00 0.00 O ATOM 0 H TYR A 85 9.731 -6.224 -3.934 1.00 0.00 H new ATOM 0 HA TYR A 85 10.367 -7.414 -6.567 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.798 -6.043 -5.743 1.00 0.00 H new ATOM 0 HB3 TYR A 85 8.057 -7.174 -7.056 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.566 -9.633 -6.451 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.132 -6.808 -3.600 1.00 0.00 H new ATOM 0 HE1 TYR A 85 7.863 -11.473 -4.980 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.426 -8.643 -2.133 1.00 0.00 H new ATOM 0 HH TYR A 85 5.934 -10.904 -2.109 1.00 0.00 H new ATOM 1331 N GLY A 86 10.959 -4.525 -5.836 1.00 0.00 N ATOM 1332 CA GLY A 86 11.307 -3.193 -6.276 1.00 0.00 C ATOM 1333 C GLY A 86 11.102 -2.161 -5.188 1.00 0.00 C ATOM 1334 O GLY A 86 11.873 -2.088 -4.249 1.00 0.00 O ATOM 0 H GLY A 86 11.393 -4.813 -4.959 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.349 -3.178 -6.597 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.702 -2.929 -7.144 1.00 0.00 H new ATOM 1338 N SER A 87 10.030 -1.404 -5.286 1.00 0.00 N ATOM 1339 CA SER A 87 9.751 -0.317 -4.364 1.00 0.00 C ATOM 1340 C SER A 87 8.361 0.220 -4.662 1.00 0.00 C ATOM 1341 O SER A 87 8.011 0.431 -5.822 1.00 0.00 O ATOM 1342 CB SER A 87 10.806 0.788 -4.510 1.00 0.00 C ATOM 1343 OG SER A 87 10.523 1.900 -3.681 1.00 0.00 O ATOM 0 H SER A 87 9.322 -1.524 -6.010 1.00 0.00 H new ATOM 0 HA SER A 87 9.790 -0.678 -3.336 1.00 0.00 H new ATOM 0 HB2 SER A 87 11.788 0.388 -4.258 1.00 0.00 H new ATOM 0 HB3 SER A 87 10.851 1.112 -5.550 1.00 0.00 H new ATOM 0 HG SER A 87 10.041 1.599 -2.883 1.00 0.00 H new ATOM 1349 N ALA A 88 7.562 0.412 -3.632 1.00 0.00 N ATOM 1350 CA ALA A 88 6.158 0.731 -3.829 1.00 0.00 C ATOM 1351 C ALA A 88 5.746 1.965 -3.046 1.00 0.00 C ATOM 1352 O ALA A 88 6.235 2.207 -1.944 1.00 0.00 O ATOM 1353 CB ALA A 88 5.293 -0.456 -3.435 1.00 0.00 C ATOM 0 H ALA A 88 7.855 0.354 -2.657 1.00 0.00 H new ATOM 0 HA ALA A 88 6.012 0.949 -4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.243 -0.207 -3.586 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.554 -1.317 -4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.461 -0.696 -2.385 1.00 0.00 H new ATOM 1359 N TRP A 89 4.854 2.748 -3.631 1.00 0.00 N ATOM 1360 CA TRP A 89 4.319 3.919 -2.962 1.00 0.00 C ATOM 1361 C TRP A 89 3.192 3.520 -2.019 1.00 0.00 C ATOM 1362 O TRP A 89 2.252 2.825 -2.410 1.00 0.00 O ATOM 1363 CB TRP A 89 3.823 4.942 -3.986 1.00 0.00 C ATOM 1364 CG TRP A 89 4.900 5.459 -4.879 1.00 0.00 C ATOM 1365 CD1 TRP A 89 5.144 5.079 -6.161 1.00 0.00 C ATOM 1366 CD2 TRP A 89 5.882 6.452 -4.558 1.00 0.00 C ATOM 1367 NE1 TRP A 89 6.213 5.775 -6.660 1.00 0.00 N ATOM 1368 CE2 TRP A 89 6.685 6.623 -5.697 1.00 0.00 C ATOM 1369 CE3 TRP A 89 6.160 7.211 -3.417 1.00 0.00 C ATOM 1370 CZ2 TRP A 89 7.747 7.524 -5.732 1.00 0.00 C ATOM 1371 CZ3 TRP A 89 7.213 8.106 -3.451 1.00 0.00 C ATOM 1372 CH2 TRP A 89 7.995 8.256 -4.604 1.00 0.00 C ATOM 0 H TRP A 89 4.486 2.592 -4.569 1.00 0.00 H new ATOM 0 HA TRP A 89 5.116 4.378 -2.377 1.00 0.00 H new ATOM 0 HB2 TRP A 89 3.044 4.485 -4.596 1.00 0.00 H new ATOM 0 HB3 TRP A 89 3.365 5.779 -3.459 1.00 0.00 H new ATOM 0 HD1 TRP A 89 4.578 4.338 -6.706 1.00 0.00 H new ATOM 0 HE1 TRP A 89 6.596 5.676 -7.600 1.00 0.00 H new ATOM 0 HE3 TRP A 89 5.562 7.100 -2.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 8.353 7.640 -6.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.436 8.698 -2.576 1.00 0.00 H new ATOM 0 HH2 TRP A 89 8.810 8.964 -4.602 1.00 0.00 H new ATOM 1383 N MET A 90 3.315 3.949 -0.775 1.00 0.00 N ATOM 1384 CA MET A 90 2.344 3.644 0.263 1.00 0.00 C ATOM 1385 C MET A 90 1.556 4.901 0.629 1.00 0.00 C ATOM 1386 O MET A 90 2.035 6.021 0.438 1.00 0.00 O ATOM 1387 CB MET A 90 3.077 3.107 1.499 1.00 0.00 C ATOM 1388 CG MET A 90 2.165 2.554 2.581 1.00 0.00 C ATOM 1389 SD MET A 90 3.086 1.991 4.028 1.00 0.00 S ATOM 1390 CE MET A 90 1.757 1.393 5.065 1.00 0.00 C ATOM 0 H MET A 90 4.095 4.522 -0.454 1.00 0.00 H new ATOM 0 HA MET A 90 1.648 2.890 -0.103 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.765 2.322 1.185 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.681 3.909 1.925 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.454 3.323 2.882 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.585 1.724 2.176 1.00 0.00 H new ATOM 0 HE1 MET A 90 2.168 1.011 6.000 1.00 0.00 H new ATOM 0 HE2 MET A 90 1.067 2.209 5.279 1.00 0.00 H new ATOM 0 HE3 MET A 90 1.225 0.593 4.550 1.00 0.00 H new ATOM 1400 N TYR A 91 0.347 4.716 1.146 1.00 0.00 N ATOM 1401 CA TYR A 91 -0.470 5.832 1.599 1.00 0.00 C ATOM 1402 C TYR A 91 -0.872 5.653 3.055 1.00 0.00 C ATOM 1403 O TYR A 91 -1.355 4.593 3.451 1.00 0.00 O ATOM 1404 CB TYR A 91 -1.719 5.986 0.729 1.00 0.00 C ATOM 1405 CG TYR A 91 -1.508 6.876 -0.471 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -0.991 6.377 -1.660 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -1.826 8.223 -0.407 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -0.797 7.202 -2.750 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -1.637 9.053 -1.490 1.00 0.00 C ATOM 1410 CZ TYR A 91 -1.123 8.539 -2.658 1.00 0.00 C ATOM 1411 OH TYR A 91 -0.927 9.367 -3.735 1.00 0.00 O ATOM 0 H TYR A 91 -0.089 3.801 1.261 1.00 0.00 H new ATOM 0 HA TYR A 91 0.130 6.738 1.510 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.040 5.001 0.390 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.528 6.393 1.336 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -0.737 5.330 -1.733 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.229 8.630 0.509 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -0.393 6.803 -3.669 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -1.891 10.101 -1.423 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.794 9.618 -4.117 1.00 0.00 H new ATOM 1421 N VAL A 92 -0.668 6.695 3.845 1.00 0.00 N ATOM 1422 CA VAL A 92 -1.034 6.674 5.249 1.00 0.00 C ATOM 1423 C VAL A 92 -2.230 7.553 5.504 1.00 0.00 C ATOM 1424 O VAL A 92 -2.324 8.681 5.007 1.00 0.00 O ATOM 1425 CB VAL A 92 0.151 7.082 6.158 1.00 0.00 C ATOM 1426 CG1 VAL A 92 -0.311 7.625 7.501 1.00 0.00 C ATOM 1427 CG2 VAL A 92 1.048 5.886 6.383 1.00 0.00 C ATOM 0 H VAL A 92 -0.248 7.571 3.533 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.300 5.647 5.501 1.00 0.00 H new ATOM 0 HB VAL A 92 0.695 7.879 5.650 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.557 7.897 8.102 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.933 8.506 7.343 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.889 6.862 8.023 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.883 6.172 7.023 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.479 5.090 6.863 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.430 5.532 5.425 1.00 0.00 H new ATOM 1437 N TYR A 93 -3.149 6.987 6.262 1.00 0.00 N ATOM 1438 CA TYR A 93 -4.368 7.647 6.660 1.00 0.00 C ATOM 1439 C TYR A 93 -4.062 9.023 7.254 1.00 0.00 C ATOM 1440 O TYR A 93 -3.142 9.178 8.054 1.00 0.00 O ATOM 1441 CB TYR A 93 -5.088 6.744 7.664 1.00 0.00 C ATOM 1442 CG TYR A 93 -4.977 7.192 9.108 1.00 0.00 C ATOM 1443 CD1 TYR A 93 -3.833 6.924 9.847 1.00 0.00 C ATOM 1444 CD2 TYR A 93 -6.001 7.889 9.727 1.00 0.00 C ATOM 1445 CE1 TYR A 93 -3.709 7.339 11.156 1.00 0.00 C ATOM 1446 CE2 TYR A 93 -5.884 8.305 11.039 1.00 0.00 C ATOM 1447 CZ TYR A 93 -4.740 8.031 11.747 1.00 0.00 C ATOM 1448 OH TYR A 93 -4.629 8.448 13.052 1.00 0.00 O ATOM 0 H TYR A 93 -3.063 6.037 6.623 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.013 7.813 5.797 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.143 6.691 7.394 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -4.686 5.735 7.578 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.022 6.379 9.387 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.903 8.110 9.176 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.809 7.122 11.713 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.693 8.846 11.508 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.445 8.923 13.314 1.00 0.00 H new ATOM 1458 N GLN A 94 -4.816 10.022 6.839 1.00 0.00 N ATOM 1459 CA GLN A 94 -4.581 11.383 7.294 1.00 0.00 C ATOM 1460 C GLN A 94 -5.907 12.040 7.665 1.00 0.00 C ATOM 1461 O GLN A 94 -6.100 13.245 7.508 1.00 0.00 O ATOM 1462 CB GLN A 94 -3.864 12.162 6.192 1.00 0.00 C ATOM 1463 CG GLN A 94 -2.762 13.073 6.704 1.00 0.00 C ATOM 1464 CD GLN A 94 -1.655 12.320 7.421 1.00 0.00 C ATOM 1465 OE1 GLN A 94 -1.395 11.086 7.004 1.00 0.00 O flip ATOM 1466 NE2 GLN A 94 -1.027 12.847 8.341 1.00 0.00 N flip ATOM 0 H GLN A 94 -5.595 9.920 6.189 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.950 11.378 8.183 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -3.437 11.456 5.479 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -4.595 12.761 5.649 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -2.335 13.624 5.866 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -3.193 13.809 7.383 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.254 13.797 8.635 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.280 12.333 8.809 1.00 0.00 H new ATOM 1475 N ARG A 95 -6.805 11.216 8.179 1.00 0.00 N ATOM 1476 CA ARG A 95 -8.139 11.643 8.586 1.00 0.00 C ATOM 1477 C ARG A 95 -8.410 11.102 9.996 1.00 0.00 C ATOM 1478 O ARG A 95 -7.513 10.516 10.587 1.00 0.00 O ATOM 1479 CB ARG A 95 -9.165 11.129 7.562 1.00 0.00 C ATOM 1480 CG ARG A 95 -9.062 11.813 6.203 1.00 0.00 C ATOM 1481 CD ARG A 95 -9.555 13.252 6.266 1.00 0.00 C ATOM 1482 NE ARG A 95 -9.291 13.989 5.028 1.00 0.00 N ATOM 1483 CZ ARG A 95 -10.073 13.955 3.948 1.00 0.00 C ATOM 1484 NH1 ARG A 95 -11.133 13.154 3.904 1.00 0.00 N ATOM 1485 NH2 ARG A 95 -9.790 14.726 2.904 1.00 0.00 N ATOM 0 H ARG A 95 -6.630 10.222 8.328 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.218 12.730 8.615 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -9.029 10.055 7.431 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.169 11.277 7.960 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.026 11.796 5.863 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.647 11.258 5.470 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.626 13.257 6.467 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.072 13.762 7.099 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.452 14.568 4.989 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.355 12.558 4.701 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.724 13.136 3.073 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -8.977 15.341 2.930 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -10.386 14.703 2.076 1.00 0.00 H new ATOM 1499 N PRO A 96 -9.603 11.302 10.592 1.00 0.00 N ATOM 1500 CA PRO A 96 -9.902 10.760 11.923 1.00 0.00 C ATOM 1501 C PRO A 96 -10.183 9.255 11.898 1.00 0.00 C ATOM 1502 O PRO A 96 -10.916 8.768 11.036 1.00 0.00 O ATOM 1503 CB PRO A 96 -11.165 11.520 12.362 1.00 0.00 C ATOM 1504 CG PRO A 96 -11.389 12.578 11.331 1.00 0.00 C ATOM 1505 CD PRO A 96 -10.730 12.089 10.076 1.00 0.00 C ATOM 0 HA PRO A 96 -9.055 10.886 12.597 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -12.022 10.849 12.425 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -11.032 11.960 13.350 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -12.454 12.746 11.171 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -10.961 13.528 11.650 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -11.406 11.482 9.473 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -10.394 12.913 9.447 1.00 0.00 H new ATOM 1513 N VAL A 97 -9.599 8.522 12.844 1.00 0.00 N ATOM 1514 CA VAL A 97 -9.894 7.097 12.993 1.00 0.00 C ATOM 1515 C VAL A 97 -10.862 6.860 14.146 1.00 0.00 C ATOM 1516 O VAL A 97 -11.089 5.722 14.556 1.00 0.00 O ATOM 1517 CB VAL A 97 -8.624 6.233 13.206 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -7.938 5.959 11.885 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -7.651 6.894 14.171 1.00 0.00 C ATOM 0 H VAL A 97 -8.923 8.887 13.515 1.00 0.00 H new ATOM 0 HA VAL A 97 -10.351 6.787 12.053 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.943 5.288 13.644 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.049 5.351 12.056 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.621 5.425 11.224 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.649 6.903 11.422 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.774 6.259 14.295 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.345 7.862 13.773 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.136 7.035 15.137 1.00 0.00 H new ATOM 1529 N ASP A 98 -11.449 7.947 14.646 1.00 0.00 N ATOM 1530 CA ASP A 98 -12.376 7.900 15.779 1.00 0.00 C ATOM 1531 C ASP A 98 -13.634 7.091 15.490 1.00 0.00 C ATOM 1532 O ASP A 98 -14.458 6.861 16.375 1.00 0.00 O ATOM 1533 CB ASP A 98 -12.760 9.317 16.201 1.00 0.00 C ATOM 1534 CG ASP A 98 -11.605 10.080 16.810 1.00 0.00 C ATOM 1535 OD1 ASP A 98 -11.293 9.839 17.997 1.00 0.00 O ATOM 1536 OD2 ASP A 98 -11.010 10.924 16.109 1.00 0.00 O ATOM 0 H ASP A 98 -11.296 8.886 14.278 1.00 0.00 H new ATOM 0 HA ASP A 98 -11.852 7.394 16.590 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.132 9.862 15.333 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.577 9.268 16.921 1.00 0.00 H new ATOM 1541 N GLY A 99 -13.770 6.666 14.261 1.00 0.00 N ATOM 1542 CA GLY A 99 -14.943 5.926 13.851 1.00 0.00 C ATOM 1543 C GLY A 99 -14.623 4.869 12.819 1.00 0.00 C ATOM 1544 O GLY A 99 -15.465 4.528 11.988 1.00 0.00 O ATOM 0 H GLY A 99 -13.083 6.818 13.522 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.395 5.454 14.723 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.681 6.617 13.444 1.00 0.00 H new ATOM 1548 N LEU A 100 -13.406 4.347 12.865 1.00 0.00 N ATOM 1549 CA LEU A 100 -12.980 3.339 11.908 1.00 0.00 C ATOM 1550 C LEU A 100 -12.740 2.011 12.604 1.00 0.00 C ATOM 1551 O LEU A 100 -12.643 1.956 13.833 1.00 0.00 O ATOM 1552 CB LEU A 100 -11.700 3.782 11.195 1.00 0.00 C ATOM 1553 CG LEU A 100 -11.772 5.151 10.517 1.00 0.00 C ATOM 1554 CD1 LEU A 100 -10.507 5.423 9.721 1.00 0.00 C ATOM 1555 CD2 LEU A 100 -12.989 5.229 9.622 1.00 0.00 C ATOM 0 H LEU A 100 -12.699 4.604 13.553 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.774 3.217 11.171 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.886 3.796 11.920 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.445 3.035 10.443 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.858 5.915 11.290 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.579 6.402 9.247 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.646 5.406 10.389 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.387 4.657 8.955 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.028 6.209 9.146 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.928 4.455 8.857 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.889 5.079 10.218 1.00 0.00 H new ATOM 1567 N LYS A 101 -12.647 0.943 11.827 1.00 0.00 N ATOM 1568 CA LYS A 101 -12.302 -0.351 12.382 1.00 0.00 C ATOM 1569 C LYS A 101 -10.850 -0.661 12.077 1.00 0.00 C ATOM 1570 O LYS A 101 -10.427 -0.630 10.923 1.00 0.00 O ATOM 1571 CB LYS A 101 -13.180 -1.470 11.828 1.00 0.00 C ATOM 1572 CG LYS A 101 -13.104 -2.744 12.662 1.00 0.00 C ATOM 1573 CD LYS A 101 -13.597 -3.966 11.905 1.00 0.00 C ATOM 1574 CE LYS A 101 -12.501 -4.583 11.042 1.00 0.00 C ATOM 1575 NZ LYS A 101 -11.367 -5.107 11.861 1.00 0.00 N ATOM 0 H LYS A 101 -12.805 0.948 10.819 1.00 0.00 H new ATOM 0 HA LYS A 101 -12.467 -0.300 13.458 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -14.214 -1.128 11.787 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -12.877 -1.692 10.805 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -12.073 -2.907 12.977 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -13.698 -2.618 13.567 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.962 -4.709 12.614 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -14.441 -3.686 11.274 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.922 -5.393 10.447 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.127 -3.835 10.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.940 -5.925 11.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.651 -4.362 11.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.719 -5.399 12.795 1.00 0.00 H new ATOM 1589 N LEU A 102 -10.094 -0.940 13.109 1.00 0.00 N ATOM 1590 CA LEU A 102 -8.706 -1.313 12.954 1.00 0.00 C ATOM 1591 C LEU A 102 -8.600 -2.803 12.661 1.00 0.00 C ATOM 1592 O LEU A 102 -9.406 -3.595 13.145 1.00 0.00 O ATOM 1593 CB LEU A 102 -7.940 -0.966 14.235 1.00 0.00 C ATOM 1594 CG LEU A 102 -6.452 -1.322 14.241 1.00 0.00 C ATOM 1595 CD1 LEU A 102 -5.715 -0.553 13.158 1.00 0.00 C ATOM 1596 CD2 LEU A 102 -5.849 -1.038 15.606 1.00 0.00 C ATOM 0 H LEU A 102 -10.418 -0.916 14.076 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.272 -0.763 12.119 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.038 0.104 14.415 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.419 -1.476 15.071 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.348 -2.387 14.032 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.658 -0.819 13.178 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.134 -0.804 12.184 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.823 0.517 13.334 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -4.790 -1.296 15.597 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.963 0.020 15.841 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.361 -1.635 16.361 1.00 0.00 H new ATOM 1608 N ILE A 103 -7.651 -3.164 11.817 1.00 0.00 N ATOM 1609 CA ILE A 103 -7.289 -4.553 11.623 1.00 0.00 C ATOM 1610 C ILE A 103 -5.927 -4.795 12.264 1.00 0.00 C ATOM 1611 O ILE A 103 -4.873 -4.512 11.676 1.00 0.00 O ATOM 1612 CB ILE A 103 -7.270 -4.966 10.132 1.00 0.00 C ATOM 1613 CG1 ILE A 103 -8.665 -4.791 9.519 1.00 0.00 C ATOM 1614 CG2 ILE A 103 -6.798 -6.407 9.990 1.00 0.00 C ATOM 1615 CD1 ILE A 103 -8.772 -5.260 8.083 1.00 0.00 C ATOM 0 H ILE A 103 -7.114 -2.507 11.251 1.00 0.00 H new ATOM 0 HA ILE A 103 -8.050 -5.172 12.098 1.00 0.00 H new ATOM 0 HB ILE A 103 -6.573 -4.322 9.596 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.387 -5.339 10.124 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -8.942 -3.738 9.568 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -6.789 -6.685 8.936 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -5.792 -6.502 10.399 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -7.474 -7.067 10.534 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -9.789 -5.102 7.723 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.076 -4.695 7.463 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.528 -6.321 8.028 1.00 0.00 H new ATOM 1627 N GLU A 104 -5.989 -5.258 13.504 1.00 0.00 N ATOM 1628 CA GLU A 104 -4.824 -5.495 14.361 1.00 0.00 C ATOM 1629 C GLU A 104 -3.933 -6.639 13.861 1.00 0.00 C ATOM 1630 O GLU A 104 -3.191 -7.234 14.645 1.00 0.00 O ATOM 1631 CB GLU A 104 -5.276 -5.807 15.793 1.00 0.00 C ATOM 1632 CG GLU A 104 -6.513 -5.041 16.249 1.00 0.00 C ATOM 1633 CD GLU A 104 -7.803 -5.765 15.909 1.00 0.00 C ATOM 1634 OE1 GLU A 104 -8.307 -5.602 14.780 1.00 0.00 O ATOM 1635 OE2 GLU A 104 -8.306 -6.520 16.763 1.00 0.00 O ATOM 0 H GLU A 104 -6.873 -5.487 13.959 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.233 -4.580 14.334 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.477 -6.875 15.872 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.455 -5.585 16.475 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.462 -4.883 17.326 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.519 -4.056 15.782 1.00 0.00 H new ATOM 1642 N SER A 105 -3.974 -6.927 12.568 1.00 0.00 N ATOM 1643 CA SER A 105 -3.235 -8.057 12.008 1.00 0.00 C ATOM 1644 C SER A 105 -3.061 -7.919 10.492 1.00 0.00 C ATOM 1645 O SER A 105 -2.712 -8.884 9.816 1.00 0.00 O ATOM 1646 CB SER A 105 -3.964 -9.376 12.316 1.00 0.00 C ATOM 1647 OG SER A 105 -4.077 -9.595 13.712 1.00 0.00 O ATOM 0 H SER A 105 -4.511 -6.395 11.883 1.00 0.00 H new ATOM 0 HA SER A 105 -2.248 -8.063 12.471 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.958 -9.357 11.868 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.425 -10.206 11.859 1.00 0.00 H new ATOM 0 HG SER A 105 -3.468 -8.993 14.188 1.00 0.00 H new ATOM 1653 N GLY A 106 -3.287 -6.704 9.979 1.00 0.00 N ATOM 1654 CA GLY A 106 -2.923 -6.356 8.609 1.00 0.00 C ATOM 1655 C GLY A 106 -3.440 -7.292 7.523 1.00 0.00 C ATOM 1656 O GLY A 106 -2.868 -7.350 6.435 1.00 0.00 O ATOM 0 H GLY A 106 -3.724 -5.943 10.500 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -3.291 -5.351 8.400 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.836 -6.318 8.541 1.00 0.00 H new ATOM 1660 N ASP A 107 -4.497 -8.026 7.794 1.00 0.00 N ATOM 1661 CA ASP A 107 -5.118 -8.838 6.759 1.00 0.00 C ATOM 1662 C ASP A 107 -6.324 -8.094 6.213 1.00 0.00 C ATOM 1663 O ASP A 107 -6.629 -6.994 6.670 1.00 0.00 O ATOM 1664 CB ASP A 107 -5.570 -10.197 7.308 1.00 0.00 C ATOM 1665 CG ASP A 107 -6.649 -10.099 8.368 1.00 0.00 C ATOM 1666 OD1 ASP A 107 -6.304 -9.876 9.549 1.00 0.00 O ATOM 1667 OD2 ASP A 107 -7.840 -10.274 8.030 1.00 0.00 O ATOM 0 H ASP A 107 -4.944 -8.081 8.709 1.00 0.00 H new ATOM 0 HA ASP A 107 -4.385 -9.018 5.973 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -5.938 -10.808 6.483 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -4.707 -10.714 7.728 1.00 0.00 H new ATOM 1672 N TRP A 108 -7.003 -8.675 5.242 1.00 0.00 N ATOM 1673 CA TRP A 108 -8.278 -8.137 4.802 1.00 0.00 C ATOM 1674 C TRP A 108 -9.357 -9.192 4.957 1.00 0.00 C ATOM 1675 O TRP A 108 -10.482 -8.894 5.357 1.00 0.00 O ATOM 1676 CB TRP A 108 -8.223 -7.657 3.346 1.00 0.00 C ATOM 1677 CG TRP A 108 -9.515 -7.053 2.878 1.00 0.00 C ATOM 1678 CD1 TRP A 108 -10.317 -7.514 1.878 1.00 0.00 C ATOM 1679 CD2 TRP A 108 -10.161 -5.886 3.404 1.00 0.00 C ATOM 1680 NE1 TRP A 108 -11.424 -6.714 1.751 1.00 0.00 N ATOM 1681 CE2 TRP A 108 -11.349 -5.703 2.673 1.00 0.00 C ATOM 1682 CE3 TRP A 108 -9.848 -4.975 4.419 1.00 0.00 C ATOM 1683 CZ2 TRP A 108 -12.228 -4.654 2.928 1.00 0.00 C ATOM 1684 CZ3 TRP A 108 -10.720 -3.933 4.670 1.00 0.00 C ATOM 1685 CH2 TRP A 108 -11.897 -3.779 3.926 1.00 0.00 C ATOM 0 H TRP A 108 -6.697 -9.512 4.746 1.00 0.00 H new ATOM 0 HA TRP A 108 -8.510 -7.274 5.426 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -7.426 -6.921 3.242 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -7.967 -8.498 2.701 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -10.111 -8.384 1.272 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -12.180 -6.850 1.080 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -8.941 -5.084 4.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -13.138 -4.535 2.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -10.490 -3.225 5.453 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -12.557 -2.952 4.145 1.00 0.00 H new ATOM 1696 N LEU A 109 -8.997 -10.433 4.657 1.00 0.00 N ATOM 1697 CA LEU A 109 -9.956 -11.531 4.648 1.00 0.00 C ATOM 1698 C LEU A 109 -9.329 -12.822 5.165 1.00 0.00 C ATOM 1699 O LEU A 109 -9.133 -13.770 4.401 1.00 0.00 O ATOM 1700 CB LEU A 109 -10.479 -11.769 3.224 1.00 0.00 C ATOM 1701 CG LEU A 109 -11.128 -10.564 2.539 1.00 0.00 C ATOM 1702 CD1 LEU A 109 -11.347 -10.851 1.061 1.00 0.00 C ATOM 1703 CD2 LEU A 109 -12.442 -10.205 3.213 1.00 0.00 C ATOM 0 H LEU A 109 -8.044 -10.706 4.416 1.00 0.00 H new ATOM 0 HA LEU A 109 -10.779 -11.251 5.306 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.649 -12.110 2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.207 -12.580 3.256 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.455 -9.712 2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -11.809 -9.985 0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.389 -11.057 0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -12.000 -11.717 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -12.886 -9.346 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -13.125 -11.053 3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -12.259 -9.958 4.259 1.00 0.00 H new