USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 0 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 80 THR OG1 : rot 72:sc= 1.19 USER MOD Set 1.2: A 83 ASN : amide:sc= 1 K(o=2.2,f=0.35) USER MOD Set 2.1: A 50 SER OG : rot 110:sc= 0.9 USER MOD Set 2.2: A 74 SER OG : rot -93:sc= 0.991 USER MOD Set 3.1: A 59 TYR OH : rot -151:sc= 1.19 USER MOD Set 3.2: A 81 ASN : amide:sc= 0.991 K(o=2.2,f=-4!) USER MOD Set 4.1: A 26 ASN : amide:sc= 1.5 K(o=2.7,f=2.2) USER MOD Set 4.2: A 55 TYR OH : rot 1:sc= 1.23 USER MOD Set 5.1: A 19 ASN : amide:sc= -0.401 K(o=-0.4,f=-3.4!) USER MOD Set 5.2: A 22 GLN : amide:sc= 0 K(o=-0.4,f=-2.3) USER MOD Single : A 1 VAL N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 106:sc= 1.61 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0.0293 X(o=0.029,f=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.0671 K(o=-0.067,f=-1) USER MOD Single : A 32 THR OG1 : rot -140:sc= 0 USER MOD Single : A 35 SER OG : rot 44:sc= 0.523 USER MOD Single : A 37 SER OG : rot -60:sc= -0.742 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.23) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= -0.189 USER MOD Single : A 60 LYS NZ :NH3+ -123:sc= 0.197 (180deg=-1.1) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 55:sc= 0.163 USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 89 ASN : amide:sc= 0.0553 K(o=0.055,f=-2.7!) USER MOD Single : A 93 SER OG : rot -55:sc= 0.167 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -26.025 -0.654 13.489 1.00 0.00 N ATOM 2 CA VAL A 1 -24.892 -1.619 13.342 1.00 0.00 C ATOM 3 C VAL A 1 -25.144 -2.904 14.221 1.00 0.00 C ATOM 4 O VAL A 1 -24.744 -2.917 15.391 1.00 0.00 O ATOM 5 CB VAL A 1 -23.497 -0.935 13.597 1.00 0.00 C ATOM 6 CG1 VAL A 1 -23.065 -0.016 12.432 1.00 0.00 C ATOM 7 CG2 VAL A 1 -23.327 -0.146 14.919 1.00 0.00 C ATOM 0 H1 VAL A 1 -25.843 0.186 12.904 1.00 0.00 H new ATOM 0 H2 VAL A 1 -26.909 -1.107 13.180 1.00 0.00 H new ATOM 0 H3 VAL A 1 -26.112 -0.370 14.486 1.00 0.00 H new ATOM 0 HA VAL A 1 -24.852 -1.955 12.306 1.00 0.00 H new ATOM 0 HB VAL A 1 -22.849 -1.808 13.678 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -22.097 0.430 12.660 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -22.988 -0.602 11.516 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -23.805 0.773 12.297 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -22.322 0.272 14.966 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -24.058 0.661 14.957 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -23.481 -0.816 15.765 1.00 0.00 H new ATOM 8 N PRO A 2 -25.763 -4.029 13.727 1.00 0.00 N ATOM 9 CA PRO A 2 -25.953 -5.277 14.544 1.00 0.00 C ATOM 10 C PRO A 2 -24.674 -6.162 14.811 1.00 0.00 C ATOM 11 O PRO A 2 -24.668 -7.378 14.597 1.00 0.00 O ATOM 12 CB PRO A 2 -27.048 -6.012 13.731 1.00 0.00 C ATOM 13 CG PRO A 2 -27.700 -4.967 12.828 1.00 0.00 C ATOM 14 CD PRO A 2 -26.548 -4.033 12.475 1.00 0.00 C ATOM 0 HA PRO A 2 -26.217 -5.042 15.575 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -26.615 -6.819 13.139 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -27.785 -6.464 14.395 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -28.136 -5.421 11.938 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -28.503 -4.438 13.341 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -25.967 -4.403 11.630 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -26.898 -3.035 12.209 1.00 0.00 H new ATOM 15 N ASP A 3 -23.599 -5.560 15.340 1.00 0.00 N ATOM 16 CA ASP A 3 -22.283 -6.233 15.533 1.00 0.00 C ATOM 17 C ASP A 3 -21.608 -5.866 16.912 1.00 0.00 C ATOM 18 O ASP A 3 -20.631 -5.109 16.903 1.00 0.00 O ATOM 19 CB ASP A 3 -21.404 -5.931 14.275 1.00 0.00 C ATOM 20 CG ASP A 3 -21.219 -4.484 13.794 1.00 0.00 C ATOM 21 OD1 ASP A 3 -20.575 -3.703 14.707 1.00 0.00 O ATOM 22 OD2 ASP A 3 -21.620 -4.084 12.705 1.00 0.00 O ATOM 0 H ASP A 3 -23.606 -4.589 15.651 1.00 0.00 H new ATOM 0 HA ASP A 3 -22.414 -7.313 15.607 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -20.411 -6.337 14.469 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -21.823 -6.497 13.444 1.00 0.00 H new ATOM 23 N PRO A 4 -22.031 -6.392 18.105 1.00 0.00 N ATOM 24 CA PRO A 4 -21.346 -6.095 19.400 1.00 0.00 C ATOM 25 C PRO A 4 -19.942 -6.783 19.549 1.00 0.00 C ATOM 26 O PRO A 4 -18.925 -6.089 19.592 1.00 0.00 O ATOM 27 CB PRO A 4 -22.432 -6.494 20.423 1.00 0.00 C ATOM 28 CG PRO A 4 -23.282 -7.568 19.733 1.00 0.00 C ATOM 29 CD PRO A 4 -23.274 -7.180 18.253 1.00 0.00 C ATOM 0 HA PRO A 4 -21.036 -5.058 19.526 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -21.984 -6.879 21.339 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -23.040 -5.634 20.703 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -22.862 -8.562 19.884 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -24.296 -7.587 20.132 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -23.270 -8.059 17.608 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -24.154 -6.594 17.988 1.00 0.00 H new ATOM 30 N ARG A 5 -19.873 -8.125 19.604 1.00 0.00 N ATOM 31 CA ARG A 5 -18.582 -8.872 19.605 1.00 0.00 C ATOM 32 C ARG A 5 -18.303 -9.408 18.155 1.00 0.00 C ATOM 33 O ARG A 5 -18.482 -10.593 17.855 1.00 0.00 O ATOM 34 CB ARG A 5 -18.675 -9.976 20.695 1.00 0.00 C ATOM 35 CG ARG A 5 -17.329 -10.698 20.976 1.00 0.00 C ATOM 36 CD ARG A 5 -17.432 -11.929 21.895 1.00 0.00 C ATOM 37 NE ARG A 5 -18.058 -13.069 21.174 1.00 0.00 N ATOM 38 CZ ARG A 5 -18.105 -14.321 21.613 1.00 0.00 C ATOM 39 NH1 ARG A 5 -17.602 -14.721 22.752 1.00 0.00 N ATOM 40 NH2 ARG A 5 -18.685 -15.204 20.862 1.00 0.00 N ATOM 0 H ARG A 5 -20.696 -8.726 19.649 1.00 0.00 H new ATOM 0 HA ARG A 5 -17.728 -8.243 19.859 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -19.036 -9.529 21.621 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -19.415 -10.715 20.388 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -16.895 -11.008 20.026 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -16.638 -9.985 21.425 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -16.439 -12.213 22.244 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -18.022 -11.682 22.778 1.00 0.00 H new ATOM 0 HE ARG A 5 -18.486 -12.873 20.269 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -17.137 -14.053 23.367 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -17.675 -15.701 23.026 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -19.086 -14.927 19.966 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -18.740 -16.176 21.167 1.00 0.00 H new ATOM 41 N GLY A 6 -17.880 -8.518 17.242 1.00 0.00 N ATOM 42 CA GLY A 6 -17.656 -8.900 15.822 1.00 0.00 C ATOM 43 C GLY A 6 -17.045 -7.811 14.930 1.00 0.00 C ATOM 44 O GLY A 6 -17.750 -7.128 14.186 1.00 0.00 O ATOM 0 H GLY A 6 -17.686 -7.538 17.450 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -17.003 -9.773 15.798 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -18.610 -9.204 15.392 1.00 0.00 H new ATOM 45 N ILE A 7 -15.715 -7.715 14.967 1.00 0.00 N ATOM 46 CA ILE A 7 -14.926 -6.841 14.044 1.00 0.00 C ATOM 47 C ILE A 7 -14.433 -7.782 12.886 1.00 0.00 C ATOM 48 O ILE A 7 -13.319 -8.317 12.905 1.00 0.00 O ATOM 49 CB ILE A 7 -13.776 -6.073 14.806 1.00 0.00 C ATOM 50 CG1 ILE A 7 -14.259 -5.122 15.950 1.00 0.00 C ATOM 51 CG2 ILE A 7 -12.957 -5.193 13.821 1.00 0.00 C ATOM 52 CD1 ILE A 7 -14.471 -5.788 17.323 1.00 0.00 C ATOM 0 H ILE A 7 -15.138 -8.233 15.630 1.00 0.00 H new ATOM 0 HA ILE A 7 -15.523 -6.032 13.623 1.00 0.00 H new ATOM 0 HB ILE A 7 -13.184 -6.871 15.253 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -13.530 -4.320 16.064 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -15.196 -4.659 15.642 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.170 -4.672 14.366 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -12.510 -5.825 13.054 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -13.616 -4.463 13.351 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -14.805 -5.040 18.042 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -15.225 -6.570 17.235 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -13.533 -6.226 17.664 1.00 0.00 H new ATOM 53 N ILE A 8 -15.303 -8.007 11.890 1.00 0.00 N ATOM 54 CA ILE A 8 -15.036 -8.968 10.774 1.00 0.00 C ATOM 55 C ILE A 8 -14.222 -8.307 9.605 1.00 0.00 C ATOM 56 O ILE A 8 -14.623 -7.304 9.005 1.00 0.00 O ATOM 57 CB ILE A 8 -16.358 -9.661 10.266 1.00 0.00 C ATOM 58 CG1 ILE A 8 -17.506 -8.690 9.848 1.00 0.00 C ATOM 59 CG2 ILE A 8 -16.880 -10.672 11.324 1.00 0.00 C ATOM 60 CD1 ILE A 8 -18.616 -9.327 8.992 1.00 0.00 C ATOM 0 H ILE A 8 -16.207 -7.540 11.822 1.00 0.00 H new ATOM 0 HA ILE A 8 -14.404 -9.758 11.181 1.00 0.00 H new ATOM 0 HB ILE A 8 -16.067 -10.174 9.349 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -17.956 -8.274 10.749 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -17.073 -7.857 9.294 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -17.793 -11.142 10.959 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -16.124 -11.437 11.501 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -17.090 -10.147 12.256 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -19.367 -8.575 8.752 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -18.186 -9.717 8.070 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -19.082 -10.141 9.548 1.00 0.00 H new ATOM 61 N ILE A 9 -13.063 -8.901 9.289 1.00 0.00 N ATOM 62 CA ILE A 9 -12.172 -8.453 8.170 1.00 0.00 C ATOM 63 C ILE A 9 -12.359 -9.350 6.880 1.00 0.00 C ATOM 64 O ILE A 9 -13.217 -10.236 6.822 1.00 0.00 O ATOM 65 CB ILE A 9 -10.678 -8.369 8.690 1.00 0.00 C ATOM 66 CG1 ILE A 9 -10.077 -9.725 9.176 1.00 0.00 C ATOM 67 CG2 ILE A 9 -10.510 -7.292 9.792 1.00 0.00 C ATOM 68 CD1 ILE A 9 -8.542 -9.799 9.084 1.00 0.00 C ATOM 0 H ILE A 9 -12.701 -9.710 9.794 1.00 0.00 H new ATOM 0 HA ILE A 9 -12.456 -7.451 7.850 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.106 -8.081 7.808 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.377 -9.894 10.210 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.506 -10.534 8.584 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.471 -7.267 10.121 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -10.788 -6.317 9.393 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.153 -7.534 10.638 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.203 -10.772 9.440 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.233 -9.664 8.048 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.102 -9.014 9.699 1.00 0.00 H new ATOM 69 N ASN A 10 -11.524 -9.106 5.852 1.00 0.00 N ATOM 70 CA ASN A 10 -11.431 -9.857 4.555 1.00 0.00 C ATOM 71 C ASN A 10 -12.281 -9.195 3.410 1.00 0.00 C ATOM 72 O ASN A 10 -13.426 -9.574 3.147 1.00 0.00 O ATOM 73 CB ASN A 10 -11.689 -11.398 4.617 1.00 0.00 C ATOM 74 CG ASN A 10 -10.661 -12.190 5.417 1.00 0.00 C ATOM 75 OD1 ASN A 10 -9.537 -12.411 4.984 1.00 0.00 O ATOM 76 ND2 ASN A 10 -11.003 -12.645 6.592 1.00 0.00 N ATOM 0 H ASN A 10 -10.852 -8.339 5.892 1.00 0.00 H new ATOM 0 HA ASN A 10 -10.372 -9.768 4.313 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -12.675 -11.569 5.050 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -11.715 -11.788 3.600 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -10.335 -13.182 7.145 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -11.938 -12.463 6.957 1.00 0.00 H new ATOM 77 N LEU A 11 -11.683 -8.227 2.688 1.00 0.00 N ATOM 78 CA LEU A 11 -12.289 -7.611 1.473 1.00 0.00 C ATOM 79 C LEU A 11 -11.229 -7.400 0.330 1.00 0.00 C ATOM 80 O LEU A 11 -10.015 -7.351 0.548 1.00 0.00 O ATOM 81 CB LEU A 11 -13.144 -6.355 1.829 1.00 0.00 C ATOM 82 CG LEU A 11 -12.450 -4.988 2.087 1.00 0.00 C ATOM 83 CD1 LEU A 11 -13.379 -3.820 1.722 1.00 0.00 C ATOM 84 CD2 LEU A 11 -12.049 -4.821 3.558 1.00 0.00 C ATOM 0 H LEU A 11 -10.767 -7.845 2.924 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.003 -8.316 1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.857 -6.208 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.721 -6.598 2.721 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.559 -4.976 1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.868 -2.876 1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.645 -3.883 0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.284 -3.872 2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.567 -3.853 3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.938 -4.877 4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.356 -5.614 3.839 1.00 0.00 H new ATOM 85 N ASP A 12 -11.696 -7.305 -0.922 1.00 0.00 N ATOM 86 CA ASP A 12 -10.813 -7.194 -2.120 1.00 0.00 C ATOM 87 C ASP A 12 -10.219 -5.759 -2.343 1.00 0.00 C ATOM 88 O ASP A 12 -10.649 -4.768 -1.741 1.00 0.00 O ATOM 89 CB ASP A 12 -11.664 -7.642 -3.344 1.00 0.00 C ATOM 90 CG ASP A 12 -12.022 -9.127 -3.400 1.00 0.00 C ATOM 91 OD1 ASP A 12 -13.006 -9.601 -2.842 1.00 0.00 O ATOM 92 OD2 ASP A 12 -11.130 -9.849 -4.137 1.00 0.00 O ATOM 0 H ASP A 12 -12.691 -7.302 -1.146 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.939 -7.829 -1.975 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.589 -7.065 -3.350 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.121 -7.384 -4.253 1.00 0.00 H new ATOM 93 N GLU A 13 -9.216 -5.651 -3.236 1.00 0.00 N ATOM 94 CA GLU A 13 -8.648 -4.332 -3.632 1.00 0.00 C ATOM 95 C GLU A 13 -9.632 -3.567 -4.599 1.00 0.00 C ATOM 96 O GLU A 13 -10.385 -4.160 -5.380 1.00 0.00 O ATOM 97 CB GLU A 13 -7.180 -4.545 -4.109 1.00 0.00 C ATOM 98 CG GLU A 13 -6.849 -4.667 -5.617 1.00 0.00 C ATOM 99 CD GLU A 13 -7.425 -5.883 -6.349 1.00 0.00 C ATOM 100 OE1 GLU A 13 -7.872 -6.889 -5.803 1.00 0.00 O ATOM 101 OE2 GLU A 13 -7.378 -5.724 -7.698 1.00 0.00 O ATOM 0 H GLU A 13 -8.780 -6.449 -3.698 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.567 -3.642 -2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.592 -3.715 -3.718 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.814 -5.451 -3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.206 -3.767 -6.118 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.765 -4.685 -5.728 1.00 0.00 H new ATOM 102 N GLY A 14 -9.620 -2.236 -4.516 1.00 0.00 N ATOM 103 CA GLY A 14 -10.605 -1.354 -5.217 1.00 0.00 C ATOM 104 C GLY A 14 -11.842 -0.938 -4.362 1.00 0.00 C ATOM 105 O GLY A 14 -12.908 -0.657 -4.909 1.00 0.00 O ATOM 0 H GLY A 14 -8.934 -1.721 -3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.091 -0.452 -5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.957 -1.867 -6.112 1.00 0.00 H new ATOM 106 N GLU A 15 -11.685 -0.869 -3.030 1.00 0.00 N ATOM 107 CA GLU A 15 -12.770 -0.591 -2.054 1.00 0.00 C ATOM 108 C GLU A 15 -12.241 0.372 -0.936 1.00 0.00 C ATOM 109 O GLU A 15 -11.073 0.304 -0.531 1.00 0.00 O ATOM 110 CB GLU A 15 -13.236 -1.942 -1.428 1.00 0.00 C ATOM 111 CG GLU A 15 -13.814 -3.026 -2.380 1.00 0.00 C ATOM 112 CD GLU A 15 -15.079 -2.658 -3.156 1.00 0.00 C ATOM 113 OE1 GLU A 15 -15.899 -1.818 -2.796 1.00 0.00 O ATOM 114 OE2 GLU A 15 -15.202 -3.381 -4.300 1.00 0.00 O ATOM 0 H GLU A 15 -10.779 -1.008 -2.583 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.611 -0.111 -2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.386 -2.378 -0.903 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.994 -1.718 -0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.040 -3.294 -3.099 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.024 -3.918 -1.791 1.00 0.00 H new ATOM 115 N LEU A 16 -13.100 1.261 -0.406 1.00 0.00 N ATOM 116 CA LEU A 16 -12.706 2.230 0.665 1.00 0.00 C ATOM 117 C LEU A 16 -12.436 1.505 2.036 1.00 0.00 C ATOM 118 O LEU A 16 -13.312 0.834 2.592 1.00 0.00 O ATOM 119 CB LEU A 16 -13.815 3.322 0.738 1.00 0.00 C ATOM 120 CG LEU A 16 -13.419 4.680 1.385 1.00 0.00 C ATOM 121 CD1 LEU A 16 -14.445 5.764 1.010 1.00 0.00 C ATOM 122 CD2 LEU A 16 -13.321 4.630 2.921 1.00 0.00 C ATOM 0 H LEU A 16 -14.075 1.338 -0.694 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.757 2.711 0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.166 3.518 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.658 2.913 1.295 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.428 4.912 0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -14.158 6.711 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -14.473 5.879 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -15.431 5.471 1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.041 5.613 3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.286 4.342 3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.567 3.900 3.214 1.00 0.00 H new ATOM 123 N CYS A 17 -11.201 1.622 2.546 1.00 0.00 N ATOM 124 CA CYS A 17 -10.747 0.925 3.780 1.00 0.00 C ATOM 125 C CYS A 17 -10.261 1.892 4.905 1.00 0.00 C ATOM 126 O CYS A 17 -9.842 3.028 4.660 1.00 0.00 O ATOM 127 CB CYS A 17 -9.603 -0.017 3.341 1.00 0.00 C ATOM 128 SG CYS A 17 -8.328 0.890 2.431 1.00 0.00 S ATOM 0 H CYS A 17 -10.479 2.203 2.120 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.586 0.387 4.221 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.161 -0.491 4.217 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.004 -0.814 2.715 1.00 0.00 H new ATOM 129 N LEU A 18 -10.269 1.397 6.156 1.00 0.00 N ATOM 130 CA LEU A 18 -9.726 2.151 7.318 1.00 0.00 C ATOM 131 C LEU A 18 -8.199 1.822 7.452 1.00 0.00 C ATOM 132 O LEU A 18 -7.376 2.603 6.988 1.00 0.00 O ATOM 133 CB LEU A 18 -10.599 1.850 8.578 1.00 0.00 C ATOM 134 CG LEU A 18 -12.082 2.308 8.564 1.00 0.00 C ATOM 135 CD1 LEU A 18 -12.801 1.788 9.820 1.00 0.00 C ATOM 136 CD2 LEU A 18 -12.230 3.837 8.496 1.00 0.00 C ATOM 0 H LEU A 18 -10.644 0.479 6.396 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.786 3.231 7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.584 0.773 8.745 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.115 2.313 9.438 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.533 1.892 7.663 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.841 2.113 9.804 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.761 0.699 9.837 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.311 2.183 10.710 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.288 4.100 8.489 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.750 4.288 9.364 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.758 4.208 7.587 1.00 0.00 H new ATOM 137 N ASN A 19 -7.822 0.724 8.124 1.00 0.00 N ATOM 138 CA ASN A 19 -6.407 0.236 8.207 1.00 0.00 C ATOM 139 C ASN A 19 -6.059 -0.841 7.111 1.00 0.00 C ATOM 140 O ASN A 19 -6.948 -1.398 6.457 1.00 0.00 O ATOM 141 CB ASN A 19 -6.149 -0.232 9.674 1.00 0.00 C ATOM 142 CG ASN A 19 -7.002 -1.397 10.185 1.00 0.00 C ATOM 143 OD1 ASN A 19 -6.812 -2.533 9.785 1.00 0.00 O ATOM 144 ND2 ASN A 19 -7.987 -1.167 11.013 1.00 0.00 N ATOM 0 H ASN A 19 -8.482 0.136 8.633 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.718 1.048 7.974 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.100 -0.515 9.761 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.306 0.620 10.335 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.587 -1.934 11.318 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -8.156 -0.221 11.355 1.00 0.00 H new ATOM 145 N SER A 20 -4.767 -1.196 6.954 1.00 0.00 N ATOM 146 CA SER A 20 -4.340 -2.301 6.027 1.00 0.00 C ATOM 147 C SER A 20 -4.685 -3.744 6.500 1.00 0.00 C ATOM 148 O SER A 20 -4.833 -4.630 5.660 1.00 0.00 O ATOM 149 CB SER A 20 -2.832 -2.199 5.732 1.00 0.00 C ATOM 150 OG SER A 20 -2.532 -1.005 5.012 1.00 0.00 O ATOM 0 H SER A 20 -3.995 -0.746 7.447 1.00 0.00 H new ATOM 0 HA SER A 20 -4.928 -2.145 5.123 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.273 -2.214 6.668 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.511 -3.066 5.155 1.00 0.00 H new ATOM 0 HG SER A 20 -2.099 -0.362 5.611 1.00 0.00 H new ATOM 151 N ALA A 21 -4.879 -3.977 7.806 1.00 0.00 N ATOM 152 CA ALA A 21 -5.355 -5.294 8.321 1.00 0.00 C ATOM 153 C ALA A 21 -6.890 -5.620 8.110 1.00 0.00 C ATOM 154 O ALA A 21 -7.389 -6.634 8.601 1.00 0.00 O ATOM 155 CB ALA A 21 -4.966 -5.250 9.805 1.00 0.00 C ATOM 0 H ALA A 21 -4.717 -3.280 8.533 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.897 -6.107 7.758 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.271 -6.178 10.289 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.886 -5.132 9.895 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.464 -4.409 10.287 1.00 0.00 H new ATOM 156 N GLN A 22 -7.592 -4.828 7.283 1.00 0.00 N ATOM 157 CA GLN A 22 -9.005 -5.048 6.888 1.00 0.00 C ATOM 158 C GLN A 22 -9.142 -5.863 5.554 1.00 0.00 C ATOM 159 O GLN A 22 -9.958 -6.782 5.503 1.00 0.00 O ATOM 160 CB GLN A 22 -9.687 -3.656 6.716 1.00 0.00 C ATOM 161 CG GLN A 22 -9.885 -2.757 7.967 1.00 0.00 C ATOM 162 CD GLN A 22 -10.722 -3.286 9.135 1.00 0.00 C ATOM 163 OE1 GLN A 22 -10.272 -3.363 10.271 1.00 0.00 O ATOM 164 NE2 GLN A 22 -11.973 -3.609 8.926 1.00 0.00 N ATOM 0 H GLN A 22 -7.188 -3.994 6.856 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.487 -5.635 7.670 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.101 -3.089 5.992 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.668 -3.823 6.271 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -8.897 -2.511 8.355 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.338 -1.824 7.633 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.365 -3.551 7.986 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.556 -3.919 9.703 1.00 0.00 H new ATOM 165 N CYS A 23 -8.409 -5.531 4.472 1.00 0.00 N ATOM 166 CA CYS A 23 -8.471 -6.267 3.184 1.00 0.00 C ATOM 167 C CYS A 23 -7.785 -7.679 3.230 1.00 0.00 C ATOM 168 O CYS A 23 -6.858 -7.909 4.011 1.00 0.00 O ATOM 169 CB CYS A 23 -7.816 -5.336 2.150 1.00 0.00 C ATOM 170 SG CYS A 23 -8.795 -3.812 2.026 1.00 0.00 S ATOM 0 H CYS A 23 -7.757 -4.747 4.462 1.00 0.00 H new ATOM 0 HA CYS A 23 -9.505 -6.498 2.927 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.793 -5.104 2.447 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.762 -5.829 1.180 1.00 0.00 H new ATOM 171 N LYS A 24 -8.210 -8.619 2.363 1.00 0.00 N ATOM 172 CA LYS A 24 -7.562 -9.970 2.203 1.00 0.00 C ATOM 173 C LYS A 24 -6.028 -9.829 1.906 1.00 0.00 C ATOM 174 O LYS A 24 -5.181 -10.344 2.640 1.00 0.00 O ATOM 175 CB LYS A 24 -8.322 -10.731 1.080 1.00 0.00 C ATOM 176 CG LYS A 24 -9.774 -11.164 1.379 1.00 0.00 C ATOM 177 CD LYS A 24 -10.654 -11.342 0.127 1.00 0.00 C ATOM 178 CE LYS A 24 -10.334 -12.606 -0.683 1.00 0.00 C ATOM 179 NZ LYS A 24 -11.137 -12.603 -1.921 1.00 0.00 N ATOM 0 H LYS A 24 -9.011 -8.480 1.746 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.630 -10.541 3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.334 -10.099 0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.748 -11.623 0.829 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.754 -12.104 1.931 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.235 -10.421 2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.700 -11.373 0.431 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.535 -10.470 -0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.272 -12.639 -0.924 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.555 -13.496 -0.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.925 -13.457 -2.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.148 -12.590 -1.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.905 -11.760 -2.483 1.00 0.00 H new ATOM 180 N SER A 25 -5.686 -9.105 0.824 1.00 0.00 N ATOM 181 CA SER A 25 -4.289 -8.686 0.557 1.00 0.00 C ATOM 182 C SER A 25 -4.126 -7.381 1.410 1.00 0.00 C ATOM 183 O SER A 25 -4.691 -6.339 1.061 1.00 0.00 O ATOM 184 CB SER A 25 -4.081 -8.474 -0.958 1.00 0.00 C ATOM 185 OG SER A 25 -4.137 -9.717 -1.658 1.00 0.00 O ATOM 0 H SER A 25 -6.355 -8.796 0.118 1.00 0.00 H new ATOM 0 HA SER A 25 -3.535 -9.423 0.833 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.846 -7.800 -1.344 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.117 -7.996 -1.134 1.00 0.00 H new ATOM 0 HG SER A 25 -4.005 -9.559 -2.616 1.00 0.00 H new ATOM 186 N ASN A 26 -3.388 -7.456 2.532 1.00 0.00 N ATOM 187 CA ASN A 26 -3.276 -6.329 3.508 1.00 0.00 C ATOM 188 C ASN A 26 -2.479 -5.093 2.957 1.00 0.00 C ATOM 189 O ASN A 26 -1.277 -4.896 3.160 1.00 0.00 O ATOM 190 CB ASN A 26 -2.584 -6.862 4.804 1.00 0.00 C ATOM 191 CG ASN A 26 -3.296 -7.728 5.847 1.00 0.00 C ATOM 192 OD1 ASN A 26 -2.754 -7.938 6.926 1.00 0.00 O ATOM 193 ND2 ASN A 26 -4.473 -8.257 5.652 1.00 0.00 N ATOM 0 H ASN A 26 -2.854 -8.284 2.796 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.287 -5.974 3.709 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.714 -7.430 4.476 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.211 -5.986 5.335 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.907 -8.820 6.384 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.959 -8.107 4.768 1.00 0.00 H new ATOM 194 N CYS A 27 -3.239 -4.256 2.249 1.00 0.00 N ATOM 195 CA CYS A 27 -2.718 -3.074 1.526 1.00 0.00 C ATOM 196 C CYS A 27 -3.805 -1.955 1.416 1.00 0.00 C ATOM 197 O CYS A 27 -4.354 -1.721 0.337 1.00 0.00 O ATOM 198 CB CYS A 27 -2.201 -3.588 0.148 1.00 0.00 C ATOM 199 SG CYS A 27 -1.943 -2.261 -1.059 1.00 0.00 S ATOM 0 H CYS A 27 -4.248 -4.373 2.155 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.896 -2.600 2.062 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.263 -4.123 0.296 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.916 -4.304 -0.257 1.00 0.00 H new ATOM 200 N CYS A 28 -4.129 -1.241 2.518 1.00 0.00 N ATOM 201 CA CYS A 28 -5.020 -0.042 2.462 1.00 0.00 C ATOM 202 C CYS A 28 -4.099 1.103 1.962 1.00 0.00 C ATOM 203 O CYS A 28 -3.137 1.473 2.642 1.00 0.00 O ATOM 204 CB CYS A 28 -5.654 0.259 3.828 1.00 0.00 C ATOM 205 SG CYS A 28 -6.904 1.545 3.672 1.00 0.00 S ATOM 0 H CYS A 28 -3.793 -1.466 3.455 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.872 -0.186 1.798 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -6.104 -0.647 4.234 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.884 0.575 4.531 1.00 0.00 H new ATOM 206 N GLN A 29 -4.355 1.623 0.760 1.00 0.00 N ATOM 207 CA GLN A 29 -3.421 2.565 0.104 1.00 0.00 C ATOM 208 C GLN A 29 -3.823 4.075 0.225 1.00 0.00 C ATOM 209 O GLN A 29 -4.825 4.551 -0.311 1.00 0.00 O ATOM 210 CB GLN A 29 -3.268 1.993 -1.333 1.00 0.00 C ATOM 211 CG GLN A 29 -1.918 2.296 -2.043 1.00 0.00 C ATOM 212 CD GLN A 29 -2.045 3.288 -3.183 1.00 0.00 C ATOM 213 OE1 GLN A 29 -2.241 2.940 -4.341 1.00 0.00 O ATOM 214 NE2 GLN A 29 -2.027 4.549 -2.880 1.00 0.00 N ATOM 0 H GLN A 29 -5.193 1.415 0.217 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.452 2.615 0.600 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.399 0.912 -1.289 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.077 2.387 -1.948 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.210 2.684 -1.311 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.501 1.365 -2.427 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.864 4.840 -1.916 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.176 5.250 -3.606 1.00 0.00 H new ATOM 215 N HIS A 30 -2.985 4.798 0.976 1.00 0.00 N ATOM 216 CA HIS A 30 -3.057 6.259 1.204 1.00 0.00 C ATOM 217 C HIS A 30 -2.399 7.037 0.029 1.00 0.00 C ATOM 218 O HIS A 30 -1.376 6.610 -0.517 1.00 0.00 O ATOM 219 CB HIS A 30 -2.247 6.577 2.508 1.00 0.00 C ATOM 220 CG HIS A 30 -2.791 7.693 3.402 1.00 0.00 C ATOM 221 ND1 HIS A 30 -3.225 7.468 4.702 1.00 0.00 N ATOM 222 CD2 HIS A 30 -2.684 9.070 3.158 1.00 0.00 C ATOM 223 CE1 HIS A 30 -3.313 8.760 5.141 1.00 0.00 C ATOM 224 NE2 HIS A 30 -3.015 9.786 4.294 1.00 0.00 N ATOM 0 H HIS A 30 -2.201 4.369 1.467 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.102 6.559 1.286 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.187 5.665 3.102 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -1.229 6.838 2.220 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -2.386 9.509 2.217 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.618 8.967 6.156 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -3.031 10.793 4.453 1.00 0.00 H new ATOM 225 N ASP A 31 -2.927 8.204 -0.343 1.00 0.00 N ATOM 226 CA ASP A 31 -2.252 9.097 -1.327 1.00 0.00 C ATOM 227 C ASP A 31 -1.169 9.951 -0.556 1.00 0.00 C ATOM 228 O ASP A 31 -1.348 11.131 -0.247 1.00 0.00 O ATOM 229 CB ASP A 31 -3.312 9.831 -2.185 1.00 0.00 C ATOM 230 CG ASP A 31 -4.278 10.800 -1.527 1.00 0.00 C ATOM 231 OD1 ASP A 31 -5.146 10.170 -0.700 1.00 0.00 O ATOM 232 OD2 ASP A 31 -4.289 12.007 -1.737 1.00 0.00 O ATOM 0 H ASP A 31 -3.813 8.564 0.011 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.675 8.567 -2.085 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.778 10.381 -2.960 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.908 9.069 -2.687 1.00 0.00 H new ATOM 233 N THR A 32 -0.043 9.276 -0.224 1.00 0.00 N ATOM 234 CA THR A 32 1.081 9.789 0.626 1.00 0.00 C ATOM 235 C THR A 32 0.608 10.299 2.038 1.00 0.00 C ATOM 236 O THR A 32 0.294 9.471 2.890 1.00 0.00 O ATOM 237 CB THR A 32 2.097 10.648 -0.194 1.00 0.00 C ATOM 238 OG1 THR A 32 3.195 11.001 0.642 1.00 0.00 O ATOM 239 CG2 THR A 32 1.564 11.943 -0.813 1.00 0.00 C ATOM 0 H THR A 32 0.123 8.323 -0.548 1.00 0.00 H new ATOM 0 HA THR A 32 1.710 8.953 0.932 1.00 0.00 H new ATOM 0 HB THR A 32 2.366 10.004 -1.031 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.461 11.927 0.460 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.366 12.445 -1.354 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.752 11.710 -1.502 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.194 12.598 -0.024 1.00 0.00 H new ATOM 240 N ILE A 33 0.566 11.607 2.312 1.00 0.00 N ATOM 241 CA ILE A 33 0.008 12.168 3.592 1.00 0.00 C ATOM 242 C ILE A 33 -1.431 12.795 3.445 1.00 0.00 C ATOM 243 O ILE A 33 -2.114 12.945 4.462 1.00 0.00 O ATOM 244 CB ILE A 33 1.003 13.151 4.311 1.00 0.00 C ATOM 245 CG1 ILE A 33 1.509 14.378 3.488 1.00 0.00 C ATOM 246 CG2 ILE A 33 2.178 12.370 4.951 1.00 0.00 C ATOM 247 CD1 ILE A 33 2.623 14.163 2.441 1.00 0.00 C ATOM 0 H ILE A 33 0.911 12.321 1.670 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.113 11.301 4.241 1.00 0.00 H new ATOM 0 HB ILE A 33 0.393 13.617 5.085 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.650 14.806 2.972 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.862 15.128 4.196 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.854 13.069 5.443 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.789 11.664 5.685 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.719 11.827 4.176 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.858 15.112 1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.515 13.775 2.933 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.284 13.449 1.690 1.00 0.00 H new ATOM 248 N LEU A 34 -1.925 13.139 2.236 1.00 0.00 N ATOM 249 CA LEU A 34 -3.326 13.607 2.024 1.00 0.00 C ATOM 250 C LEU A 34 -4.297 12.383 2.172 1.00 0.00 C ATOM 251 O LEU A 34 -4.161 11.379 1.470 1.00 0.00 O ATOM 252 CB LEU A 34 -3.347 14.293 0.630 1.00 0.00 C ATOM 253 CG LEU A 34 -4.690 14.902 0.152 1.00 0.00 C ATOM 254 CD1 LEU A 34 -5.206 16.021 1.073 1.00 0.00 C ATOM 255 CD2 LEU A 34 -4.526 15.466 -1.269 1.00 0.00 C ATOM 0 H LEU A 34 -1.373 13.103 1.379 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.668 14.334 2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.600 15.087 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.028 13.560 -0.111 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.423 14.096 0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.149 16.406 0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.362 15.624 2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.473 16.827 1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.472 15.893 -1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.759 16.240 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.231 14.665 -1.947 1.00 0.00 H new ATOM 256 N SER A 35 -5.264 12.436 3.098 1.00 0.00 N ATOM 257 CA SER A 35 -6.109 11.254 3.423 1.00 0.00 C ATOM 258 C SER A 35 -7.362 10.952 2.530 1.00 0.00 C ATOM 259 O SER A 35 -8.441 11.531 2.684 1.00 0.00 O ATOM 260 CB SER A 35 -6.508 11.416 4.913 1.00 0.00 C ATOM 261 OG SER A 35 -7.421 12.500 5.109 1.00 0.00 O ATOM 0 H SER A 35 -5.488 13.272 3.637 1.00 0.00 H new ATOM 0 HA SER A 35 -5.501 10.376 3.208 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.962 10.491 5.269 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.613 11.583 5.512 1.00 0.00 H new ATOM 0 HG SER A 35 -8.114 12.473 4.417 1.00 0.00 H new ATOM 262 N LEU A 36 -7.184 9.990 1.620 1.00 0.00 N ATOM 263 CA LEU A 36 -8.262 9.401 0.774 1.00 0.00 C ATOM 264 C LEU A 36 -7.763 7.932 0.557 1.00 0.00 C ATOM 265 O LEU A 36 -7.051 7.636 -0.408 1.00 0.00 O ATOM 266 CB LEU A 36 -8.492 10.239 -0.516 1.00 0.00 C ATOM 267 CG LEU A 36 -9.657 9.776 -1.427 1.00 0.00 C ATOM 268 CD1 LEU A 36 -11.037 10.005 -0.786 1.00 0.00 C ATOM 269 CD2 LEU A 36 -9.601 10.524 -2.769 1.00 0.00 C ATOM 0 H LEU A 36 -6.269 9.579 1.436 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.257 9.406 1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.673 11.274 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.573 10.228 -1.101 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.532 8.704 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.816 9.663 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.101 9.447 0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.173 11.068 -0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.423 10.194 -3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.688 11.596 -2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.653 10.313 -3.264 1.00 0.00 H new ATOM 270 N SER A 37 -8.106 7.022 1.488 1.00 0.00 N ATOM 271 CA SER A 37 -7.539 5.644 1.506 1.00 0.00 C ATOM 272 C SER A 37 -8.465 4.533 0.906 1.00 0.00 C ATOM 273 O SER A 37 -9.587 4.280 1.359 1.00 0.00 O ATOM 274 CB SER A 37 -7.126 5.331 2.966 1.00 0.00 C ATOM 275 OG SER A 37 -6.309 6.366 3.531 1.00 0.00 O ATOM 0 H SER A 37 -8.771 7.207 2.239 1.00 0.00 H new ATOM 0 HA SER A 37 -6.678 5.628 0.838 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.021 5.203 3.575 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.583 4.386 2.994 1.00 0.00 H new ATOM 0 HG SER A 37 -5.492 6.465 2.999 1.00 0.00 H new ATOM 276 N ARG A 38 -7.941 3.842 -0.113 1.00 0.00 N ATOM 277 CA ARG A 38 -8.640 2.745 -0.843 1.00 0.00 C ATOM 278 C ARG A 38 -7.665 1.530 -1.001 1.00 0.00 C ATOM 279 O ARG A 38 -6.489 1.734 -1.318 1.00 0.00 O ATOM 280 CB ARG A 38 -9.074 3.350 -2.209 1.00 0.00 C ATOM 281 CG ARG A 38 -10.047 2.494 -3.048 1.00 0.00 C ATOM 282 CD ARG A 38 -10.286 3.100 -4.440 1.00 0.00 C ATOM 283 NE ARG A 38 -11.326 2.319 -5.153 1.00 0.00 N ATOM 284 CZ ARG A 38 -11.622 2.434 -6.442 1.00 0.00 C ATOM 285 NH1 ARG A 38 -11.028 3.261 -7.263 1.00 0.00 N ATOM 286 NH2 ARG A 38 -12.559 1.675 -6.917 1.00 0.00 N ATOM 0 H ARG A 38 -7.003 4.023 -0.470 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.516 2.369 -0.315 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.540 4.318 -2.024 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.179 3.535 -2.803 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.645 1.486 -3.154 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.998 2.404 -2.523 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.599 4.140 -4.346 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.359 3.097 -5.013 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.857 1.639 -4.609 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.285 3.871 -6.923 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.308 3.296 -8.243 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.042 1.017 -6.305 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.814 1.736 -7.903 1.00 0.00 H new ATOM 287 N CYS A 39 -8.090 0.262 -0.799 1.00 0.00 N ATOM 288 CA CYS A 39 -7.167 -0.896 -0.982 1.00 0.00 C ATOM 289 C CYS A 39 -6.708 -1.092 -2.463 1.00 0.00 C ATOM 290 O CYS A 39 -7.434 -0.894 -3.437 1.00 0.00 O ATOM 291 CB CYS A 39 -7.743 -2.210 -0.403 1.00 0.00 C ATOM 292 SG CYS A 39 -7.713 -2.248 1.394 1.00 0.00 S ATOM 0 H CYS A 39 -9.038 0.012 -0.517 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.277 -0.642 -0.406 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.769 -2.335 -0.748 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.172 -3.054 -0.790 1.00 0.00 H new ATOM 293 N ALA A 40 -5.442 -1.482 -2.577 1.00 0.00 N ATOM 294 CA ALA A 40 -4.720 -1.620 -3.861 1.00 0.00 C ATOM 295 C ALA A 40 -3.838 -2.916 -3.925 1.00 0.00 C ATOM 296 O ALA A 40 -3.901 -3.804 -3.068 1.00 0.00 O ATOM 297 CB ALA A 40 -3.943 -0.289 -3.940 1.00 0.00 C ATOM 0 H ALA A 40 -4.867 -1.719 -1.768 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.365 -1.765 -4.728 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.358 -0.263 -4.859 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.646 0.544 -3.934 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.275 -0.206 -3.083 1.00 0.00 H new ATOM 298 N LEU A 41 -3.041 -3.041 -4.992 1.00 0.00 N ATOM 299 CA LEU A 41 -2.087 -4.172 -5.168 1.00 0.00 C ATOM 300 C LEU A 41 -0.664 -3.855 -4.578 1.00 0.00 C ATOM 301 O LEU A 41 -0.214 -2.706 -4.523 1.00 0.00 O ATOM 302 CB LEU A 41 -2.070 -4.473 -6.698 1.00 0.00 C ATOM 303 CG LEU A 41 -1.283 -5.722 -7.182 1.00 0.00 C ATOM 304 CD1 LEU A 41 -1.874 -7.044 -6.661 1.00 0.00 C ATOM 305 CD2 LEU A 41 -1.257 -5.762 -8.718 1.00 0.00 C ATOM 0 H LEU A 41 -3.029 -2.371 -5.761 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.403 -5.052 -4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.103 -4.579 -7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.659 -3.601 -7.206 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.275 -5.628 -6.779 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.281 -7.879 -7.033 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.858 -7.045 -5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.902 -7.145 -7.009 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.703 -6.640 -9.050 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.277 -5.811 -9.098 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.772 -4.863 -9.097 1.00 0.00 H new ATOM 306 N LYS A 42 0.040 -4.907 -4.135 1.00 0.00 N ATOM 307 CA LYS A 42 1.456 -4.812 -3.665 1.00 0.00 C ATOM 308 C LYS A 42 2.483 -4.537 -4.825 1.00 0.00 C ATOM 309 O LYS A 42 2.229 -4.866 -5.990 1.00 0.00 O ATOM 310 CB LYS A 42 1.752 -6.109 -2.855 1.00 0.00 C ATOM 311 CG LYS A 42 1.799 -7.456 -3.621 1.00 0.00 C ATOM 312 CD LYS A 42 2.030 -8.649 -2.669 1.00 0.00 C ATOM 313 CE LYS A 42 2.100 -10.017 -3.368 1.00 0.00 C ATOM 314 NZ LYS A 42 0.764 -10.483 -3.789 1.00 0.00 N ATOM 0 H LYS A 42 -0.343 -5.851 -4.087 1.00 0.00 H new ATOM 0 HA LYS A 42 1.582 -3.940 -3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.711 -5.977 -2.354 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.995 -6.195 -2.076 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.864 -7.599 -4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.596 -7.424 -4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.959 -8.487 -2.122 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.226 -8.672 -1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.753 -9.948 -4.238 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.545 -10.748 -2.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.850 -11.408 -4.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.149 -10.572 -2.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.350 -9.797 -4.452 1.00 0.00 H new ATOM 315 N ALA A 43 3.652 -3.945 -4.517 1.00 0.00 N ATOM 316 CA ALA A 43 4.628 -3.545 -5.559 1.00 0.00 C ATOM 317 C ALA A 43 5.453 -4.741 -6.156 1.00 0.00 C ATOM 318 O ALA A 43 5.717 -5.784 -5.547 1.00 0.00 O ATOM 319 CB ALA A 43 5.528 -2.457 -4.938 1.00 0.00 C ATOM 0 H ALA A 43 3.946 -3.732 -3.564 1.00 0.00 H new ATOM 0 HA ALA A 43 4.091 -3.156 -6.424 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.265 -2.131 -5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.916 -1.607 -4.637 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.040 -2.863 -4.066 1.00 0.00 H new ATOM 320 N ARG A 44 5.828 -4.541 -7.417 1.00 0.00 N ATOM 321 CA ARG A 44 6.536 -5.544 -8.261 1.00 0.00 C ATOM 322 C ARG A 44 7.862 -4.958 -8.822 1.00 0.00 C ATOM 323 O ARG A 44 8.110 -3.753 -8.759 1.00 0.00 O ATOM 324 CB ARG A 44 5.563 -5.979 -9.399 1.00 0.00 C ATOM 325 CG ARG A 44 4.582 -7.079 -8.945 1.00 0.00 C ATOM 326 CD ARG A 44 3.553 -7.527 -9.996 1.00 0.00 C ATOM 327 NE ARG A 44 4.192 -8.388 -11.026 1.00 0.00 N ATOM 328 CZ ARG A 44 3.547 -9.010 -12.005 1.00 0.00 C ATOM 329 NH1 ARG A 44 2.254 -8.945 -12.192 1.00 0.00 N ATOM 330 NH2 ARG A 44 4.244 -9.727 -12.830 1.00 0.00 N ATOM 0 H ARG A 44 5.652 -3.663 -7.906 1.00 0.00 H new ATOM 0 HA ARG A 44 6.814 -6.416 -7.669 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.999 -5.112 -9.742 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.141 -6.340 -10.250 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.159 -7.950 -8.634 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.045 -6.722 -8.066 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.744 -8.073 -9.510 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.108 -6.653 -10.471 1.00 0.00 H new ATOM 0 HE ARG A 44 5.203 -8.510 -10.976 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.675 -8.389 -11.563 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.825 -9.450 -12.967 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.255 -9.799 -12.715 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.782 -10.219 -13.594 1.00 0.00 H new ATOM 331 N GLU A 45 8.726 -5.811 -9.396 1.00 0.00 N ATOM 332 CA GLU A 45 10.070 -5.380 -9.900 1.00 0.00 C ATOM 333 C GLU A 45 9.980 -4.183 -10.911 1.00 0.00 C ATOM 334 O GLU A 45 9.145 -4.167 -11.814 1.00 0.00 O ATOM 335 CB GLU A 45 10.865 -6.571 -10.504 1.00 0.00 C ATOM 336 CG GLU A 45 12.350 -6.222 -10.818 1.00 0.00 C ATOM 337 CD GLU A 45 13.276 -7.405 -11.053 1.00 0.00 C ATOM 338 OE1 GLU A 45 13.045 -8.019 -12.243 1.00 0.00 O ATOM 339 OE2 GLU A 45 14.145 -7.751 -10.261 1.00 0.00 O ATOM 0 H GLU A 45 8.532 -6.804 -9.529 1.00 0.00 H new ATOM 0 HA GLU A 45 10.621 -5.017 -9.032 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.835 -7.409 -9.808 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.374 -6.899 -11.420 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.374 -5.586 -11.703 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.747 -5.633 -9.991 1.00 0.00 H new ATOM 340 N ASN A 46 10.856 -3.196 -10.688 1.00 0.00 N ATOM 341 CA ASN A 46 10.856 -1.876 -11.403 1.00 0.00 C ATOM 342 C ASN A 46 9.622 -0.932 -11.087 1.00 0.00 C ATOM 343 O ASN A 46 9.432 0.079 -11.766 1.00 0.00 O ATOM 344 CB ASN A 46 11.292 -1.986 -12.898 1.00 0.00 C ATOM 345 CG ASN A 46 10.326 -2.506 -13.957 1.00 0.00 C ATOM 346 OD1 ASN A 46 9.403 -1.836 -14.398 1.00 0.00 O ATOM 347 ND2 ASN A 46 10.535 -3.699 -14.445 1.00 0.00 N ATOM 0 H ASN A 46 11.604 -3.275 -9.999 1.00 0.00 H new ATOM 0 HA ASN A 46 11.663 -1.303 -10.947 1.00 0.00 H new ATOM 0 HB2 ASN A 46 11.608 -0.992 -13.213 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.174 -2.625 -12.928 1.00 0.00 H new ATOM 0 HD21 ASN A 46 9.932 -4.060 -15.184 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.301 -4.269 -14.087 1.00 0.00 H new ATOM 348 N SER A 47 8.875 -1.177 -9.986 1.00 0.00 N ATOM 349 CA SER A 47 7.777 -0.299 -9.505 1.00 0.00 C ATOM 350 C SER A 47 8.110 0.253 -8.077 1.00 0.00 C ATOM 351 O SER A 47 8.844 -0.348 -7.288 1.00 0.00 O ATOM 352 CB SER A 47 6.458 -1.107 -9.527 1.00 0.00 C ATOM 353 OG SER A 47 5.328 -0.240 -9.414 1.00 0.00 O ATOM 0 H SER A 47 9.017 -1.998 -9.398 1.00 0.00 H new ATOM 0 HA SER A 47 7.665 0.567 -10.158 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.392 -1.678 -10.453 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.453 -1.826 -8.708 1.00 0.00 H new ATOM 0 HG SER A 47 4.505 -0.771 -9.432 1.00 0.00 H new ATOM 354 N GLU A 48 7.557 1.420 -7.743 1.00 0.00 N ATOM 355 CA GLU A 48 7.840 2.159 -6.493 1.00 0.00 C ATOM 356 C GLU A 48 7.520 1.435 -5.135 1.00 0.00 C ATOM 357 O GLU A 48 6.403 1.004 -4.843 1.00 0.00 O ATOM 358 CB GLU A 48 7.133 3.543 -6.590 1.00 0.00 C ATOM 359 CG GLU A 48 5.588 3.520 -6.705 1.00 0.00 C ATOM 360 CD GLU A 48 4.923 4.891 -6.682 1.00 0.00 C ATOM 361 OE1 GLU A 48 4.624 5.492 -5.656 1.00 0.00 O ATOM 362 OE2 GLU A 48 4.693 5.376 -7.930 1.00 0.00 O ATOM 0 H GLU A 48 6.883 1.896 -8.342 1.00 0.00 H new ATOM 0 HA GLU A 48 8.925 2.250 -6.438 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.402 4.126 -5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.532 4.071 -7.456 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.315 3.015 -7.631 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.186 2.923 -5.886 1.00 0.00 H new ATOM 363 N CYS A 49 8.570 1.325 -4.324 1.00 0.00 N ATOM 364 CA CYS A 49 8.504 0.815 -2.932 1.00 0.00 C ATOM 365 C CYS A 49 9.484 1.600 -2.006 1.00 0.00 C ATOM 366 O CYS A 49 10.674 1.780 -2.277 1.00 0.00 O ATOM 367 CB CYS A 49 8.828 -0.681 -2.861 1.00 0.00 C ATOM 368 SG CYS A 49 8.725 -1.248 -1.143 1.00 0.00 S ATOM 0 H CYS A 49 9.513 1.589 -4.609 1.00 0.00 H new ATOM 0 HA CYS A 49 7.481 0.965 -2.587 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.131 -1.244 -3.482 1.00 0.00 H new ATOM 0 HB3 CYS A 49 9.827 -0.866 -3.256 1.00 0.00 H new ATOM 369 N SER A 50 8.954 2.007 -0.861 1.00 0.00 N ATOM 370 CA SER A 50 9.741 2.624 0.246 1.00 0.00 C ATOM 371 C SER A 50 9.187 2.047 1.595 1.00 0.00 C ATOM 372 O SER A 50 8.070 1.516 1.666 1.00 0.00 O ATOM 373 CB SER A 50 9.755 4.160 0.137 1.00 0.00 C ATOM 374 OG SER A 50 10.613 4.728 1.130 1.00 0.00 O ATOM 0 H SER A 50 7.959 1.926 -0.653 1.00 0.00 H new ATOM 0 HA SER A 50 10.798 2.362 0.189 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.093 4.456 -0.856 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.743 4.548 0.258 1.00 0.00 H new ATOM 0 HG SER A 50 11.410 5.101 0.699 1.00 0.00 H new ATOM 375 N ALA A 51 9.975 2.096 2.679 1.00 0.00 N ATOM 376 CA ALA A 51 9.620 1.468 3.962 1.00 0.00 C ATOM 377 C ALA A 51 9.514 2.517 5.126 1.00 0.00 C ATOM 378 O ALA A 51 10.393 3.331 5.417 1.00 0.00 O ATOM 379 CB ALA A 51 10.674 0.388 4.177 1.00 0.00 C ATOM 0 H ALA A 51 10.877 2.572 2.692 1.00 0.00 H new ATOM 0 HA ALA A 51 8.625 1.024 3.950 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.479 -0.129 5.117 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.635 -0.327 3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.662 0.846 4.213 1.00 0.00 H new ATOM 380 N PHE A 52 8.352 2.442 5.755 1.00 0.00 N ATOM 381 CA PHE A 52 7.836 3.379 6.799 1.00 0.00 C ATOM 382 C PHE A 52 6.966 2.550 7.824 1.00 0.00 C ATOM 383 O PHE A 52 7.321 1.427 8.199 1.00 0.00 O ATOM 384 CB PHE A 52 7.133 4.550 5.990 1.00 0.00 C ATOM 385 CG PHE A 52 5.997 4.146 5.009 1.00 0.00 C ATOM 386 CD1 PHE A 52 6.320 3.554 3.779 1.00 0.00 C ATOM 387 CD2 PHE A 52 4.684 4.070 5.471 1.00 0.00 C ATOM 388 CE1 PHE A 52 5.385 2.771 3.112 1.00 0.00 C ATOM 389 CE2 PHE A 52 3.742 3.317 4.783 1.00 0.00 C ATOM 390 CZ PHE A 52 4.094 2.658 3.609 1.00 0.00 C ATOM 0 H PHE A 52 7.690 1.692 5.556 1.00 0.00 H new ATOM 0 HA PHE A 52 8.579 3.854 7.440 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.724 5.260 6.709 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.900 5.077 5.422 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.299 3.707 3.349 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.398 4.599 6.368 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.663 2.251 2.207 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.733 3.242 5.160 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.364 2.059 3.085 1.00 0.00 H new ATOM 391 N THR A 53 5.850 3.097 8.335 1.00 0.00 N ATOM 392 CA THR A 53 4.860 2.350 9.172 1.00 0.00 C ATOM 393 C THR A 53 4.211 1.217 8.317 1.00 0.00 C ATOM 394 O THR A 53 3.401 1.513 7.428 1.00 0.00 O ATOM 395 CB THR A 53 3.736 3.325 9.658 1.00 0.00 C ATOM 396 OG1 THR A 53 4.237 4.168 10.686 1.00 0.00 O ATOM 397 CG2 THR A 53 2.475 2.641 10.221 1.00 0.00 C ATOM 0 H THR A 53 5.596 4.074 8.186 1.00 0.00 H new ATOM 0 HA THR A 53 5.371 1.921 10.034 1.00 0.00 H new ATOM 0 HB THR A 53 3.445 3.871 8.760 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.529 4.777 10.984 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.757 3.400 10.530 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.029 2.011 9.452 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.747 2.027 11.080 1.00 0.00 H new ATOM 398 N LEU A 54 4.494 -0.058 8.616 1.00 0.00 N ATOM 399 CA LEU A 54 3.910 -1.169 7.798 1.00 0.00 C ATOM 400 C LEU A 54 2.861 -2.096 8.476 1.00 0.00 C ATOM 401 O LEU A 54 2.800 -3.297 8.230 1.00 0.00 O ATOM 402 CB LEU A 54 5.040 -1.763 6.908 1.00 0.00 C ATOM 403 CG LEU A 54 5.222 -0.854 5.649 1.00 0.00 C ATOM 404 CD1 LEU A 54 6.665 -0.672 5.209 1.00 0.00 C ATOM 405 CD2 LEU A 54 4.313 -1.229 4.476 1.00 0.00 C ATOM 0 H LEU A 54 5.097 -0.355 9.383 1.00 0.00 H new ATOM 0 HA LEU A 54 3.166 -0.771 7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.972 -1.820 7.470 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.787 -2.779 6.606 1.00 0.00 H new ATOM 0 HG LEU A 54 4.891 0.125 5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.699 -0.028 4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.237 -0.214 6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.096 -1.643 4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.498 -0.553 3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.522 -2.253 4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.270 -1.148 4.783 1.00 0.00 H new ATOM 406 N TYR A 55 1.970 -1.429 9.234 1.00 0.00 N ATOM 407 CA TYR A 55 0.695 -1.986 9.774 1.00 0.00 C ATOM 408 C TYR A 55 -0.390 -0.860 10.023 1.00 0.00 C ATOM 409 O TYR A 55 -1.286 -0.997 10.859 1.00 0.00 O ATOM 410 CB TYR A 55 0.852 -3.054 10.911 1.00 0.00 C ATOM 411 CG TYR A 55 0.510 -4.457 10.357 1.00 0.00 C ATOM 412 CD1 TYR A 55 -0.788 -4.717 9.891 1.00 0.00 C ATOM 413 CD2 TYR A 55 1.554 -5.299 9.969 1.00 0.00 C ATOM 414 CE1 TYR A 55 -1.006 -5.731 8.961 1.00 0.00 C ATOM 415 CE2 TYR A 55 1.333 -6.313 9.040 1.00 0.00 C ATOM 416 CZ TYR A 55 0.051 -6.533 8.542 1.00 0.00 C ATOM 417 OH TYR A 55 -0.158 -7.492 7.587 1.00 0.00 O ATOM 0 H TYR A 55 2.114 -0.455 9.501 1.00 0.00 H new ATOM 0 HA TYR A 55 0.283 -2.604 8.976 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.872 -3.043 11.296 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.194 -2.811 11.745 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.619 -4.130 10.254 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.539 -5.163 10.392 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.997 -5.895 8.565 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.155 -6.928 8.706 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.096 -7.472 7.303 1.00 0.00 H new ATOM 418 N GLY A 56 -0.352 0.230 9.225 1.00 0.00 N ATOM 419 CA GLY A 56 -1.380 1.300 9.205 1.00 0.00 C ATOM 420 C GLY A 56 -1.931 1.433 7.764 1.00 0.00 C ATOM 421 O GLY A 56 -2.279 0.439 7.133 1.00 0.00 O ATOM 0 H GLY A 56 0.407 0.396 8.564 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.187 1.061 9.898 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.948 2.245 9.533 1.00 0.00 H new ATOM 422 N VAL A 57 -2.015 2.650 7.233 1.00 0.00 N ATOM 423 CA VAL A 57 -2.330 2.891 5.777 1.00 0.00 C ATOM 424 C VAL A 57 -0.997 3.234 5.021 1.00 0.00 C ATOM 425 O VAL A 57 -0.094 3.903 5.538 1.00 0.00 O ATOM 426 CB VAL A 57 -3.453 3.957 5.603 1.00 0.00 C ATOM 427 CG1 VAL A 57 -3.989 4.040 4.156 1.00 0.00 C ATOM 428 CG2 VAL A 57 -4.691 3.637 6.452 1.00 0.00 C ATOM 0 H VAL A 57 -1.873 3.506 7.770 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.740 1.988 5.325 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.973 4.888 5.904 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.768 4.800 4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.175 4.304 3.481 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.402 3.074 3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.447 4.407 6.298 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.094 2.669 6.156 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.412 3.608 7.505 1.00 0.00 H new ATOM 429 N TYR A 58 -0.889 2.771 3.768 1.00 0.00 N ATOM 430 CA TYR A 58 0.377 2.807 2.991 1.00 0.00 C ATOM 431 C TYR A 58 0.408 3.716 1.740 1.00 0.00 C ATOM 432 O TYR A 58 -0.475 3.684 0.890 1.00 0.00 O ATOM 433 CB TYR A 58 0.631 1.328 2.571 1.00 0.00 C ATOM 434 CG TYR A 58 0.752 0.242 3.665 1.00 0.00 C ATOM 435 CD1 TYR A 58 0.995 0.544 5.014 1.00 0.00 C ATOM 436 CD2 TYR A 58 0.463 -1.075 3.306 1.00 0.00 C ATOM 437 CE1 TYR A 58 0.870 -0.436 5.984 1.00 0.00 C ATOM 438 CE2 TYR A 58 0.415 -2.071 4.277 1.00 0.00 C ATOM 439 CZ TYR A 58 0.596 -1.749 5.614 1.00 0.00 C ATOM 440 OH TYR A 58 0.451 -2.724 6.556 1.00 0.00 O ATOM 0 H TYR A 58 -1.670 2.360 3.257 1.00 0.00 H new ATOM 0 HA TYR A 58 1.144 3.249 3.627 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.179 1.033 1.904 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.550 1.307 1.985 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.281 1.546 5.297 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.276 -1.322 2.271 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.985 -0.181 7.027 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.236 -3.096 3.989 1.00 0.00 H new ATOM 0 HH TYR A 58 0.262 -3.579 6.116 1.00 0.00 H new ATOM 441 N TYR A 59 1.503 4.450 1.560 1.00 0.00 N ATOM 442 CA TYR A 59 1.683 5.387 0.404 1.00 0.00 C ATOM 443 C TYR A 59 1.872 4.632 -0.969 1.00 0.00 C ATOM 444 O TYR A 59 1.235 4.935 -1.977 1.00 0.00 O ATOM 445 CB TYR A 59 2.869 6.348 0.720 1.00 0.00 C ATOM 446 CG TYR A 59 3.064 7.014 2.107 1.00 0.00 C ATOM 447 CD1 TYR A 59 2.085 7.036 3.108 1.00 0.00 C ATOM 448 CD2 TYR A 59 4.311 7.583 2.374 1.00 0.00 C ATOM 449 CE1 TYR A 59 2.372 7.531 4.373 1.00 0.00 C ATOM 450 CE2 TYR A 59 4.599 8.084 3.635 1.00 0.00 C ATOM 451 CZ TYR A 59 3.634 8.062 4.637 1.00 0.00 C ATOM 452 OH TYR A 59 3.923 8.590 5.867 1.00 0.00 O ATOM 0 H TYR A 59 2.300 4.428 2.197 1.00 0.00 H new ATOM 0 HA TYR A 59 0.771 5.971 0.279 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.783 5.792 0.511 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.815 7.157 -0.008 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.094 6.663 2.893 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.056 7.633 1.594 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.621 7.505 5.149 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.577 8.493 3.840 1.00 0.00 H new ATOM 0 HH TYR A 59 4.596 9.296 5.770 1.00 0.00 H new ATOM 453 N LYS A 60 2.774 3.649 -0.948 1.00 0.00 N ATOM 454 CA LYS A 60 3.056 2.684 -2.021 1.00 0.00 C ATOM 455 C LYS A 60 3.192 1.341 -1.229 1.00 0.00 C ATOM 456 O LYS A 60 4.073 1.185 -0.372 1.00 0.00 O ATOM 457 CB LYS A 60 4.301 3.052 -2.880 1.00 0.00 C ATOM 458 CG LYS A 60 5.715 3.141 -2.257 1.00 0.00 C ATOM 459 CD LYS A 60 6.026 4.373 -1.389 1.00 0.00 C ATOM 460 CE LYS A 60 6.006 4.075 0.112 1.00 0.00 C ATOM 461 NZ LYS A 60 6.379 5.273 0.884 1.00 0.00 N ATOM 0 H LYS A 60 3.366 3.493 -0.132 1.00 0.00 H new ATOM 0 HA LYS A 60 2.280 2.645 -2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.356 2.322 -3.688 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.095 4.019 -3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.872 2.251 -1.648 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.444 3.106 -3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.006 4.763 -1.662 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.299 5.156 -1.607 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.012 3.740 0.408 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.697 3.262 0.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.199 5.057 1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.623 6.045 0.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.579 5.565 1.481 1.00 0.00 H new ATOM 462 N CYS A 61 2.267 0.393 -1.436 1.00 0.00 N ATOM 463 CA CYS A 61 2.308 -0.928 -0.748 1.00 0.00 C ATOM 464 C CYS A 61 3.668 -1.729 -0.914 1.00 0.00 C ATOM 465 O CYS A 61 4.332 -1.579 -1.946 1.00 0.00 O ATOM 466 CB CYS A 61 1.085 -1.702 -1.270 1.00 0.00 C ATOM 467 SG CYS A 61 -0.433 -1.058 -0.546 1.00 0.00 S ATOM 0 H CYS A 61 1.477 0.506 -2.072 1.00 0.00 H new ATOM 0 HA CYS A 61 2.267 -0.784 0.332 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.037 -1.626 -2.356 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.188 -2.760 -1.029 1.00 0.00 H new ATOM 468 N PRO A 62 4.134 -2.562 0.066 1.00 0.00 N ATOM 469 CA PRO A 62 5.473 -3.220 -0.013 1.00 0.00 C ATOM 470 C PRO A 62 5.679 -4.256 -1.172 1.00 0.00 C ATOM 471 O PRO A 62 4.738 -4.654 -1.861 1.00 0.00 O ATOM 472 CB PRO A 62 5.574 -3.835 1.402 1.00 0.00 C ATOM 473 CG PRO A 62 4.130 -4.129 1.816 1.00 0.00 C ATOM 474 CD PRO A 62 3.347 -2.944 1.257 1.00 0.00 C ATOM 0 HA PRO A 62 6.266 -2.519 -0.273 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.174 -4.745 1.394 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.050 -3.145 2.098 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.778 -5.073 1.401 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.030 -4.200 2.899 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.326 -3.222 0.995 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.281 -2.128 1.976 1.00 0.00 H new ATOM 475 N CYS A 63 6.934 -4.679 -1.389 1.00 0.00 N ATOM 476 CA CYS A 63 7.282 -5.638 -2.472 1.00 0.00 C ATOM 477 C CYS A 63 6.725 -7.096 -2.281 1.00 0.00 C ATOM 478 O CYS A 63 6.486 -7.565 -1.163 1.00 0.00 O ATOM 479 CB CYS A 63 8.824 -5.629 -2.558 1.00 0.00 C ATOM 480 SG CYS A 63 9.465 -3.983 -2.928 1.00 0.00 S ATOM 0 H CYS A 63 7.733 -4.376 -0.832 1.00 0.00 H new ATOM 0 HA CYS A 63 6.804 -5.315 -3.397 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.243 -5.978 -1.614 1.00 0.00 H new ATOM 0 HB3 CYS A 63 9.149 -6.327 -3.329 1.00 0.00 H new ATOM 481 N GLU A 64 6.535 -7.814 -3.400 1.00 0.00 N ATOM 482 CA GLU A 64 6.016 -9.214 -3.396 1.00 0.00 C ATOM 483 C GLU A 64 6.945 -10.291 -2.710 1.00 0.00 C ATOM 484 O GLU A 64 8.087 -10.020 -2.325 1.00 0.00 O ATOM 485 CB GLU A 64 5.670 -9.523 -4.889 1.00 0.00 C ATOM 486 CG GLU A 64 6.863 -9.878 -5.820 1.00 0.00 C ATOM 487 CD GLU A 64 6.577 -9.927 -7.317 1.00 0.00 C ATOM 488 OE1 GLU A 64 5.535 -10.745 -7.627 1.00 0.00 O ATOM 489 OE2 GLU A 64 7.221 -9.300 -8.154 1.00 0.00 O ATOM 0 H GLU A 64 6.732 -7.453 -4.334 1.00 0.00 H new ATOM 0 HA GLU A 64 5.138 -9.285 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.963 -10.352 -4.910 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.158 -8.656 -5.307 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.655 -9.149 -5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.253 -10.850 -5.517 1.00 0.00 H new ATOM 490 N ARG A 65 6.455 -11.541 -2.577 1.00 0.00 N ATOM 491 CA ARG A 65 7.212 -12.662 -1.940 1.00 0.00 C ATOM 492 C ARG A 65 8.527 -13.017 -2.724 1.00 0.00 C ATOM 493 O ARG A 65 8.503 -13.579 -3.823 1.00 0.00 O ATOM 494 CB ARG A 65 6.216 -13.849 -1.814 1.00 0.00 C ATOM 495 CG ARG A 65 6.621 -15.017 -0.878 1.00 0.00 C ATOM 496 CD ARG A 65 7.602 -16.031 -1.492 1.00 0.00 C ATOM 497 NE ARG A 65 7.837 -17.141 -0.534 1.00 0.00 N ATOM 498 CZ ARG A 65 8.630 -18.182 -0.759 1.00 0.00 C ATOM 499 NH1 ARG A 65 9.306 -18.368 -1.863 1.00 0.00 N ATOM 500 NH2 ARG A 65 8.743 -19.071 0.178 1.00 0.00 N ATOM 0 H ARG A 65 5.527 -11.811 -2.904 1.00 0.00 H new ATOM 0 HA ARG A 65 7.575 -12.381 -0.951 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.261 -13.454 -1.467 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.049 -14.257 -2.811 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.069 -14.601 0.024 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.719 -15.547 -0.571 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.199 -16.423 -2.426 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.545 -15.540 -1.733 1.00 0.00 H new ATOM 0 HE ARG A 65 7.354 -17.101 0.363 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.242 -17.688 -2.621 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.897 -19.193 -1.966 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.231 -18.957 1.053 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.343 -19.884 0.040 1.00 0.00 H new ATOM 501 N GLY A 66 9.667 -12.658 -2.120 1.00 0.00 N ATOM 502 CA GLY A 66 11.012 -12.786 -2.765 1.00 0.00 C ATOM 503 C GLY A 66 11.768 -11.476 -3.130 1.00 0.00 C ATOM 504 O GLY A 66 12.991 -11.510 -3.278 1.00 0.00 O ATOM 0 H GLY A 66 9.700 -12.271 -1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.650 -13.366 -2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.892 -13.369 -3.678 1.00 0.00 H new ATOM 505 N LEU A 67 11.068 -10.344 -3.294 1.00 0.00 N ATOM 506 CA LEU A 67 11.674 -9.041 -3.685 1.00 0.00 C ATOM 507 C LEU A 67 11.913 -8.100 -2.460 1.00 0.00 C ATOM 508 O LEU A 67 11.196 -8.120 -1.455 1.00 0.00 O ATOM 509 CB LEU A 67 10.721 -8.356 -4.709 1.00 0.00 C ATOM 510 CG LEU A 67 10.900 -8.731 -6.197 1.00 0.00 C ATOM 511 CD1 LEU A 67 10.577 -10.198 -6.522 1.00 0.00 C ATOM 512 CD2 LEU A 67 10.020 -7.810 -7.049 1.00 0.00 C ATOM 0 H LEU A 67 10.058 -10.296 -3.161 1.00 0.00 H new ATOM 0 HA LEU A 67 12.653 -9.230 -4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.695 -8.587 -4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.843 -7.277 -4.615 1.00 0.00 H new ATOM 0 HG LEU A 67 11.957 -8.601 -6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.728 -10.377 -7.587 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.234 -10.851 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.539 -10.408 -6.263 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.138 -8.066 -8.102 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.976 -7.935 -6.760 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.319 -6.774 -6.892 1.00 0.00 H new ATOM 513 N THR A 68 12.919 -7.224 -2.588 1.00 0.00 N ATOM 514 CA THR A 68 13.257 -6.216 -1.546 1.00 0.00 C ATOM 515 C THR A 68 12.722 -4.789 -1.896 1.00 0.00 C ATOM 516 O THR A 68 12.488 -4.434 -3.055 1.00 0.00 O ATOM 517 CB THR A 68 14.812 -6.240 -1.343 1.00 0.00 C ATOM 518 OG1 THR A 68 15.097 -6.022 0.033 1.00 0.00 O ATOM 519 CG2 THR A 68 15.633 -5.181 -2.094 1.00 0.00 C ATOM 0 H THR A 68 13.525 -7.185 -3.408 1.00 0.00 H new ATOM 0 HA THR A 68 12.760 -6.475 -0.611 1.00 0.00 H new ATOM 0 HB THR A 68 15.103 -7.213 -1.739 1.00 0.00 H new ATOM 0 HG1 THR A 68 16.067 -6.037 0.172 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.691 -5.311 -1.865 1.00 0.00 H new ATOM 0 HG22 THR A 68 15.478 -5.294 -3.167 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.314 -4.186 -1.784 1.00 0.00 H new ATOM 520 N CYS A 69 12.605 -3.957 -0.857 1.00 0.00 N ATOM 521 CA CYS A 69 12.274 -2.518 -1.008 1.00 0.00 C ATOM 522 C CYS A 69 13.650 -1.772 -1.164 1.00 0.00 C ATOM 523 O CYS A 69 14.335 -1.529 -0.163 1.00 0.00 O ATOM 524 CB CYS A 69 11.383 -2.181 0.208 1.00 0.00 C ATOM 525 SG CYS A 69 10.367 -0.735 -0.095 1.00 0.00 S ATOM 0 H CYS A 69 12.734 -4.250 0.111 1.00 0.00 H new ATOM 0 HA CYS A 69 11.698 -2.212 -1.881 1.00 0.00 H new ATOM 0 HB2 CYS A 69 10.744 -3.033 0.438 1.00 0.00 H new ATOM 0 HB3 CYS A 69 12.011 -2.008 1.082 1.00 0.00 H new ATOM 526 N GLU A 70 14.105 -1.477 -2.396 1.00 0.00 N ATOM 527 CA GLU A 70 15.481 -0.948 -2.646 1.00 0.00 C ATOM 528 C GLU A 70 15.560 0.610 -2.779 1.00 0.00 C ATOM 529 O GLU A 70 14.912 1.225 -3.630 1.00 0.00 O ATOM 530 CB GLU A 70 15.986 -1.689 -3.920 1.00 0.00 C ATOM 531 CG GLU A 70 17.523 -1.707 -4.118 1.00 0.00 C ATOM 532 CD GLU A 70 17.955 -2.547 -5.318 1.00 0.00 C ATOM 533 OE1 GLU A 70 17.999 -1.825 -6.468 1.00 0.00 O ATOM 534 OE2 GLU A 70 18.212 -3.745 -5.255 1.00 0.00 O ATOM 0 H GLU A 70 13.547 -1.592 -3.242 1.00 0.00 H new ATOM 0 HA GLU A 70 16.120 -1.142 -1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.630 -2.719 -3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.530 -1.224 -4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 70 17.880 -0.685 -4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 70 17.996 -2.098 -3.217 1.00 0.00 H new ATOM 535 N GLY A 71 16.391 1.243 -1.929 1.00 0.00 N ATOM 536 CA GLY A 71 16.514 2.732 -1.873 1.00 0.00 C ATOM 537 C GLY A 71 15.396 3.460 -1.094 1.00 0.00 C ATOM 538 O GLY A 71 14.686 4.289 -1.659 1.00 0.00 O ATOM 0 H GLY A 71 16.993 0.755 -1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 71 17.473 2.984 -1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 71 16.533 3.117 -2.893 1.00 0.00 H new ATOM 539 N ASP A 72 15.254 3.175 0.206 1.00 0.00 N ATOM 540 CA ASP A 72 14.063 3.598 1.002 1.00 0.00 C ATOM 541 C ASP A 72 14.176 5.071 1.523 1.00 0.00 C ATOM 542 O ASP A 72 14.560 5.330 2.668 1.00 0.00 O ATOM 543 CB ASP A 72 13.903 2.555 2.145 1.00 0.00 C ATOM 544 CG ASP A 72 13.599 1.131 1.683 1.00 0.00 C ATOM 545 OD1 ASP A 72 12.478 0.730 1.401 1.00 0.00 O ATOM 546 OD2 ASP A 72 14.726 0.380 1.564 1.00 0.00 O ATOM 0 H ASP A 72 15.945 2.651 0.744 1.00 0.00 H new ATOM 0 HA ASP A 72 13.169 3.614 0.379 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.820 2.541 2.735 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.103 2.884 2.807 1.00 0.00 H new ATOM 547 N LYS A 73 13.816 6.035 0.664 1.00 0.00 N ATOM 548 CA LYS A 73 13.979 7.491 0.966 1.00 0.00 C ATOM 549 C LYS A 73 12.728 8.245 1.554 1.00 0.00 C ATOM 550 O LYS A 73 12.765 9.475 1.631 1.00 0.00 O ATOM 551 CB LYS A 73 14.468 8.162 -0.359 1.00 0.00 C ATOM 552 CG LYS A 73 15.799 7.684 -0.999 1.00 0.00 C ATOM 553 CD LYS A 73 17.031 7.798 -0.079 1.00 0.00 C ATOM 554 CE LYS A 73 18.308 7.301 -0.771 1.00 0.00 C ATOM 555 NZ LYS A 73 19.443 7.397 0.166 1.00 0.00 N ATOM 0 H LYS A 73 13.408 5.847 -0.252 1.00 0.00 H new ATOM 0 HA LYS A 73 14.694 7.570 1.785 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.681 8.034 -1.102 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.559 9.232 -0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.686 6.644 -1.306 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.982 8.265 -1.903 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.163 8.837 0.225 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.861 7.220 0.829 1.00 0.00 H new ATOM 0 HE2 LYS A 73 18.179 6.269 -1.099 1.00 0.00 H new ATOM 0 HE3 LYS A 73 18.507 7.896 -1.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 20.309 7.061 -0.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 19.570 8.387 0.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 19.252 6.811 1.004 1.00 0.00 H new ATOM 556 N SER A 74 11.650 7.572 2.006 1.00 0.00 N ATOM 557 CA SER A 74 10.402 8.230 2.497 1.00 0.00 C ATOM 558 C SER A 74 10.588 8.822 3.932 1.00 0.00 C ATOM 559 O SER A 74 10.241 8.222 4.956 1.00 0.00 O ATOM 560 CB SER A 74 9.242 7.205 2.410 1.00 0.00 C ATOM 561 OG SER A 74 9.459 6.055 3.237 1.00 0.00 O ATOM 0 H SER A 74 11.611 6.553 2.045 1.00 0.00 H new ATOM 0 HA SER A 74 10.158 9.085 1.867 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.311 7.689 2.705 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.121 6.886 1.375 1.00 0.00 H new ATOM 0 HG SER A 74 9.894 5.352 2.712 1.00 0.00 H new ATOM 562 N LEU A 75 11.144 10.035 3.955 1.00 0.00 N ATOM 563 CA LEU A 75 11.548 10.756 5.193 1.00 0.00 C ATOM 564 C LEU A 75 10.358 11.423 5.963 1.00 0.00 C ATOM 565 O LEU A 75 10.186 12.644 6.025 1.00 0.00 O ATOM 566 CB LEU A 75 12.665 11.762 4.776 1.00 0.00 C ATOM 567 CG LEU A 75 14.059 11.169 4.423 1.00 0.00 C ATOM 568 CD1 LEU A 75 14.971 12.249 3.824 1.00 0.00 C ATOM 569 CD2 LEU A 75 14.778 10.539 5.629 1.00 0.00 C ATOM 0 H LEU A 75 11.335 10.565 3.105 1.00 0.00 H new ATOM 0 HA LEU A 75 11.929 10.047 5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 75 12.308 12.324 3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.797 12.476 5.589 1.00 0.00 H new ATOM 0 HG LEU A 75 13.866 10.379 3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 75 15.941 11.814 3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.517 12.646 2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 75 15.103 13.055 4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 75 15.744 10.145 5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 75 14.930 11.296 6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.170 9.729 6.032 1.00 0.00 H new ATOM 570 N VAL A 76 9.587 10.558 6.635 1.00 0.00 N ATOM 571 CA VAL A 76 8.454 10.957 7.536 1.00 0.00 C ATOM 572 C VAL A 76 8.822 11.893 8.749 1.00 0.00 C ATOM 573 O VAL A 76 8.039 12.782 9.091 1.00 0.00 O ATOM 574 CB VAL A 76 7.668 9.650 7.926 1.00 0.00 C ATOM 575 CG1 VAL A 76 8.436 8.615 8.784 1.00 0.00 C ATOM 576 CG2 VAL A 76 6.318 9.935 8.621 1.00 0.00 C ATOM 0 H VAL A 76 9.719 9.548 6.580 1.00 0.00 H new ATOM 0 HA VAL A 76 7.801 11.628 6.978 1.00 0.00 H new ATOM 0 HB VAL A 76 7.510 9.201 6.945 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.791 7.760 8.987 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.322 8.281 8.244 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.737 9.074 9.726 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.827 8.992 8.863 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.492 10.499 9.537 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.680 10.515 7.954 1.00 0.00 H new ATOM 577 N GLY A 77 9.994 11.705 9.371 1.00 0.00 N ATOM 578 CA GLY A 77 10.508 12.604 10.446 1.00 0.00 C ATOM 579 C GLY A 77 11.876 13.268 10.163 1.00 0.00 C ATOM 580 O GLY A 77 12.784 13.158 10.987 1.00 0.00 O ATOM 0 H GLY A 77 10.621 10.931 9.153 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.772 13.389 10.621 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.587 12.029 11.369 1.00 0.00 H new ATOM 581 N SER A 78 12.032 13.961 9.020 1.00 0.00 N ATOM 582 CA SER A 78 13.298 14.681 8.669 1.00 0.00 C ATOM 583 C SER A 78 13.090 15.868 7.671 1.00 0.00 C ATOM 584 O SER A 78 13.433 17.006 7.998 1.00 0.00 O ATOM 585 CB SER A 78 14.361 13.662 8.175 1.00 0.00 C ATOM 586 OG SER A 78 15.617 14.289 7.909 1.00 0.00 O ATOM 0 H SER A 78 11.302 14.045 8.313 1.00 0.00 H new ATOM 0 HA SER A 78 13.668 15.157 9.577 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.495 12.884 8.927 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.001 13.172 7.270 1.00 0.00 H new ATOM 0 HG SER A 78 16.260 13.616 7.602 1.00 0.00 H new ATOM 587 N ILE A 79 12.569 15.608 6.463 1.00 0.00 N ATOM 588 CA ILE A 79 12.314 16.665 5.429 1.00 0.00 C ATOM 589 C ILE A 79 10.899 16.415 4.791 1.00 0.00 C ATOM 590 O ILE A 79 9.936 17.077 5.188 1.00 0.00 O ATOM 591 CB ILE A 79 13.588 16.808 4.495 1.00 0.00 C ATOM 592 CG1 ILE A 79 13.701 18.188 3.783 1.00 0.00 C ATOM 593 CG2 ILE A 79 13.809 15.677 3.457 1.00 0.00 C ATOM 594 CD1 ILE A 79 12.581 18.604 2.810 1.00 0.00 C ATOM 0 H ILE A 79 12.308 14.670 6.160 1.00 0.00 H new ATOM 0 HA ILE A 79 12.219 17.675 5.828 1.00 0.00 H new ATOM 0 HB ILE A 79 14.390 16.717 5.228 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.772 18.955 4.554 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.641 18.201 3.232 1.00 0.00 H new ATOM 0 HG21 ILE A 79 14.709 15.885 2.878 1.00 0.00 H new ATOM 0 HG22 ILE A 79 13.923 14.725 3.975 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.951 15.625 2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.805 19.587 2.397 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.514 17.877 2.001 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.631 18.642 3.343 1.00 0.00 H new ATOM 595 N THR A 80 10.743 15.466 3.852 1.00 0.00 N ATOM 596 CA THR A 80 9.442 15.155 3.196 1.00 0.00 C ATOM 597 C THR A 80 9.229 13.632 2.982 1.00 0.00 C ATOM 598 O THR A 80 10.110 12.875 2.567 1.00 0.00 O ATOM 599 CB THR A 80 9.285 15.822 1.781 1.00 0.00 C ATOM 600 OG1 THR A 80 10.482 15.739 1.004 1.00 0.00 O ATOM 601 CG2 THR A 80 8.917 17.298 1.890 1.00 0.00 C ATOM 0 H THR A 80 11.513 14.886 3.519 1.00 0.00 H new ATOM 0 HA THR A 80 8.704 15.559 3.889 1.00 0.00 H new ATOM 0 HB THR A 80 8.487 15.265 1.290 1.00 0.00 H new ATOM 0 HG1 THR A 80 10.617 14.814 0.710 1.00 0.00 H new ATOM 0 HG21 THR A 80 8.818 17.723 0.891 1.00 0.00 H new ATOM 0 HG22 THR A 80 7.972 17.399 2.423 1.00 0.00 H new ATOM 0 HG23 THR A 80 9.698 17.829 2.434 1.00 0.00 H new ATOM 602 N ASN A 81 7.966 13.232 3.158 1.00 0.00 N ATOM 603 CA ASN A 81 7.488 11.857 2.842 1.00 0.00 C ATOM 604 C ASN A 81 7.515 11.458 1.314 1.00 0.00 C ATOM 605 O ASN A 81 7.525 10.267 1.007 1.00 0.00 O ATOM 606 CB ASN A 81 6.018 11.814 3.345 1.00 0.00 C ATOM 607 CG ASN A 81 5.827 11.637 4.849 1.00 0.00 C ATOM 608 OD1 ASN A 81 5.843 10.531 5.372 1.00 0.00 O ATOM 609 ND2 ASN A 81 5.622 12.693 5.594 1.00 0.00 N ATOM 0 H ASN A 81 7.236 13.843 3.523 1.00 0.00 H new ATOM 0 HA ASN A 81 8.161 11.145 3.320 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.525 12.738 3.043 1.00 0.00 H new ATOM 0 HB3 ASN A 81 5.505 10.998 2.836 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.478 12.588 6.598 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.606 13.621 5.170 1.00 0.00 H new ATOM 610 N THR A 82 7.540 12.421 0.371 1.00 0.00 N ATOM 611 CA THR A 82 7.435 12.171 -1.104 1.00 0.00 C ATOM 612 C THR A 82 8.819 12.102 -1.815 1.00 0.00 C ATOM 613 O THR A 82 9.254 12.938 -2.613 1.00 0.00 O ATOM 614 CB THR A 82 6.549 13.261 -1.761 1.00 0.00 C ATOM 615 OG1 THR A 82 7.105 14.565 -1.597 1.00 0.00 O ATOM 616 CG2 THR A 82 5.132 13.289 -1.196 1.00 0.00 C ATOM 0 H THR A 82 7.634 13.410 0.602 1.00 0.00 H new ATOM 0 HA THR A 82 6.975 11.191 -1.227 1.00 0.00 H new ATOM 0 HB THR A 82 6.512 12.995 -2.817 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.023 14.575 -1.941 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.558 14.071 -1.693 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.654 12.324 -1.365 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.171 13.492 -0.126 1.00 0.00 H new ATOM 617 N ASN A 83 9.466 11.011 -1.466 1.00 0.00 N ATOM 618 CA ASN A 83 10.830 10.631 -1.915 1.00 0.00 C ATOM 619 C ASN A 83 10.809 9.072 -1.854 1.00 0.00 C ATOM 620 O ASN A 83 10.899 8.507 -0.765 1.00 0.00 O ATOM 621 CB ASN A 83 11.908 11.266 -0.984 1.00 0.00 C ATOM 622 CG ASN A 83 12.035 12.791 -0.968 1.00 0.00 C ATOM 623 OD1 ASN A 83 11.502 13.485 -0.109 1.00 0.00 O ATOM 624 ND2 ASN A 83 12.743 13.376 -1.898 1.00 0.00 N ATOM 0 H ASN A 83 9.057 10.321 -0.836 1.00 0.00 H new ATOM 0 HA ASN A 83 11.086 10.988 -2.913 1.00 0.00 H new ATOM 0 HB2 ASN A 83 11.705 10.937 0.035 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.877 10.853 -1.265 1.00 0.00 H new ATOM 0 HD21 ASN A 83 12.844 14.391 -1.900 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.195 12.817 -2.622 1.00 0.00 H new ATOM 625 N PHE A 84 10.638 8.353 -2.977 1.00 0.00 N ATOM 626 CA PHE A 84 10.444 6.867 -2.938 1.00 0.00 C ATOM 627 C PHE A 84 11.539 6.033 -3.681 1.00 0.00 C ATOM 628 O PHE A 84 12.188 6.488 -4.628 1.00 0.00 O ATOM 629 CB PHE A 84 9.030 6.556 -3.529 1.00 0.00 C ATOM 630 CG PHE A 84 7.757 7.194 -2.913 1.00 0.00 C ATOM 631 CD1 PHE A 84 7.671 7.552 -1.560 1.00 0.00 C ATOM 632 CD2 PHE A 84 6.631 7.358 -3.726 1.00 0.00 C ATOM 633 CE1 PHE A 84 6.493 8.078 -1.042 1.00 0.00 C ATOM 634 CE2 PHE A 84 5.447 7.872 -3.202 1.00 0.00 C ATOM 635 CZ PHE A 84 5.381 8.239 -1.861 1.00 0.00 C ATOM 0 H PHE A 84 10.628 8.755 -3.914 1.00 0.00 H new ATOM 0 HA PHE A 84 10.533 6.560 -1.896 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.053 6.838 -4.582 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.897 5.475 -3.492 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.527 7.418 -0.915 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.680 7.084 -4.769 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.442 8.362 -0.001 1.00 0.00 H new ATOM 0 HE2 PHE A 84 4.580 7.986 -3.836 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.467 8.648 -1.457 1.00 0.00 H new ATOM 636 N GLY A 85 11.703 4.779 -3.230 1.00 0.00 N ATOM 637 CA GLY A 85 12.594 3.785 -3.888 1.00 0.00 C ATOM 638 C GLY A 85 11.866 2.868 -4.896 1.00 0.00 C ATOM 639 O GLY A 85 10.756 3.166 -5.342 1.00 0.00 O ATOM 0 H GLY A 85 11.228 4.418 -2.403 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.395 4.314 -4.405 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.063 3.168 -3.122 1.00 0.00 H new ATOM 640 N ILE A 86 12.491 1.743 -5.258 1.00 0.00 N ATOM 641 CA ILE A 86 11.953 0.794 -6.283 1.00 0.00 C ATOM 642 C ILE A 86 12.093 -0.696 -5.785 1.00 0.00 C ATOM 643 O ILE A 86 13.096 -1.090 -5.186 1.00 0.00 O ATOM 644 CB ILE A 86 12.704 1.029 -7.654 1.00 0.00 C ATOM 645 CG1 ILE A 86 12.612 2.469 -8.254 1.00 0.00 C ATOM 646 CG2 ILE A 86 12.221 0.063 -8.763 1.00 0.00 C ATOM 647 CD1 ILE A 86 11.211 2.959 -8.670 1.00 0.00 C ATOM 0 H ILE A 86 13.383 1.450 -4.860 1.00 0.00 H new ATOM 0 HA ILE A 86 10.890 0.981 -6.436 1.00 0.00 H new ATOM 0 HB ILE A 86 13.740 0.847 -7.369 1.00 0.00 H new ATOM 0 HG12 ILE A 86 13.013 3.169 -7.521 1.00 0.00 H new ATOM 0 HG13 ILE A 86 13.262 2.515 -9.128 1.00 0.00 H new ATOM 0 HG21 ILE A 86 12.767 0.265 -9.684 1.00 0.00 H new ATOM 0 HG22 ILE A 86 12.401 -0.966 -8.453 1.00 0.00 H new ATOM 0 HG23 ILE A 86 11.154 0.209 -8.934 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.283 3.970 -9.070 1.00 0.00 H new ATOM 0 HD12 ILE A 86 10.805 2.295 -9.433 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.553 2.959 -7.801 1.00 0.00 H new ATOM 648 N CYS A 87 11.105 -1.555 -6.085 1.00 0.00 N ATOM 649 CA CYS A 87 11.176 -3.019 -5.809 1.00 0.00 C ATOM 650 C CYS A 87 12.189 -3.779 -6.736 1.00 0.00 C ATOM 651 O CYS A 87 12.145 -3.614 -7.961 1.00 0.00 O ATOM 652 CB CYS A 87 9.751 -3.558 -6.040 1.00 0.00 C ATOM 653 SG CYS A 87 8.678 -3.273 -4.629 1.00 0.00 S ATOM 0 H CYS A 87 10.232 -1.265 -6.525 1.00 0.00 H new ATOM 0 HA CYS A 87 11.535 -3.181 -4.793 1.00 0.00 H new ATOM 0 HB2 CYS A 87 9.323 -3.081 -6.922 1.00 0.00 H new ATOM 0 HB3 CYS A 87 9.798 -4.627 -6.248 1.00 0.00 H new ATOM 654 N HIS A 88 13.099 -4.611 -6.183 1.00 0.00 N ATOM 655 CA HIS A 88 14.028 -5.438 -7.006 1.00 0.00 C ATOM 656 C HIS A 88 14.288 -6.849 -6.378 1.00 0.00 C ATOM 657 O HIS A 88 14.242 -7.068 -5.164 1.00 0.00 O ATOM 658 CB HIS A 88 15.356 -4.673 -7.209 1.00 0.00 C ATOM 659 CG HIS A 88 15.357 -3.548 -8.245 1.00 0.00 C ATOM 660 ND1 HIS A 88 15.638 -3.772 -9.585 1.00 0.00 N ATOM 661 CD2 HIS A 88 15.063 -2.191 -8.022 1.00 0.00 C ATOM 662 CE1 HIS A 88 15.485 -2.495 -10.061 1.00 0.00 C ATOM 663 NE2 HIS A 88 15.176 -1.480 -9.202 1.00 0.00 N ATOM 0 H HIS A 88 13.215 -4.732 -5.177 1.00 0.00 H new ATOM 0 HA HIS A 88 13.555 -5.613 -7.972 1.00 0.00 H new ATOM 0 HB2 HIS A 88 15.654 -4.250 -6.249 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.123 -5.394 -7.491 1.00 0.00 H new ATOM 0 HD2 HIS A 88 14.789 -1.766 -7.068 1.00 0.00 H new ATOM 0 HE1 HIS A 88 15.609 -2.292 -11.115 1.00 0.00 H new ATOM 0 HE2 HIS A 88 15.061 -0.482 -9.380 1.00 0.00 H new ATOM 664 N ASN A 89 14.650 -7.802 -7.244 1.00 0.00 N ATOM 665 CA ASN A 89 14.933 -9.218 -6.863 1.00 0.00 C ATOM 666 C ASN A 89 16.471 -9.475 -6.696 1.00 0.00 C ATOM 667 O ASN A 89 17.136 -10.112 -7.519 1.00 0.00 O ATOM 668 CB ASN A 89 14.301 -10.058 -7.995 1.00 0.00 C ATOM 669 CG ASN A 89 14.156 -11.561 -7.745 1.00 0.00 C ATOM 670 OD1 ASN A 89 13.112 -12.058 -7.351 1.00 0.00 O ATOM 671 ND2 ASN A 89 15.174 -12.344 -7.983 1.00 0.00 N ATOM 0 H ASN A 89 14.760 -7.625 -8.242 1.00 0.00 H new ATOM 0 HA ASN A 89 14.512 -9.483 -5.893 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.312 -9.652 -8.206 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.901 -9.920 -8.895 1.00 0.00 H new ATOM 0 HD21 ASN A 89 15.088 -13.350 -7.839 1.00 0.00 H new ATOM 0 HD22 ASN A 89 16.055 -11.949 -8.313 1.00 0.00 H new ATOM 672 N VAL A 90 17.018 -8.966 -5.595 1.00 0.00 N ATOM 673 CA VAL A 90 18.478 -9.102 -5.272 1.00 0.00 C ATOM 674 C VAL A 90 18.869 -10.506 -4.683 1.00 0.00 C ATOM 675 O VAL A 90 19.786 -11.158 -5.189 1.00 0.00 O ATOM 676 CB VAL A 90 18.942 -7.859 -4.426 1.00 0.00 C ATOM 677 CG1 VAL A 90 18.383 -7.738 -2.988 1.00 0.00 C ATOM 678 CG2 VAL A 90 20.481 -7.745 -4.347 1.00 0.00 C ATOM 0 H VAL A 90 16.488 -8.449 -4.894 1.00 0.00 H new ATOM 0 HA VAL A 90 19.049 -9.085 -6.200 1.00 0.00 H new ATOM 0 HB VAL A 90 18.505 -7.039 -4.995 1.00 0.00 H new ATOM 0 HG11 VAL A 90 18.781 -6.839 -2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 90 17.295 -7.677 -3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 90 18.678 -8.613 -2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 90 20.751 -6.872 -3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 90 20.889 -8.642 -3.880 1.00 0.00 H new ATOM 0 HG23 VAL A 90 20.890 -7.641 -5.352 1.00 0.00 H new ATOM 679 N GLY A 91 18.205 -10.957 -3.610 1.00 0.00 N ATOM 680 CA GLY A 91 18.527 -12.233 -2.909 1.00 0.00 C ATOM 681 C GLY A 91 19.786 -12.186 -2.015 1.00 0.00 C ATOM 682 O GLY A 91 19.701 -12.133 -0.788 1.00 0.00 O ATOM 0 H GLY A 91 17.423 -10.453 -3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 91 17.673 -12.518 -2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 91 18.658 -13.017 -3.655 1.00 0.00 H new ATOM 683 N ARG A 92 20.953 -12.182 -2.664 1.00 0.00 N ATOM 684 CA ARG A 92 22.266 -12.050 -1.977 1.00 0.00 C ATOM 685 C ARG A 92 22.687 -10.543 -1.854 1.00 0.00 C ATOM 686 O ARG A 92 23.453 -10.004 -2.661 1.00 0.00 O ATOM 687 CB ARG A 92 23.268 -12.944 -2.768 1.00 0.00 C ATOM 688 CG ARG A 92 24.704 -13.033 -2.194 1.00 0.00 C ATOM 689 CD ARG A 92 24.821 -13.796 -0.858 1.00 0.00 C ATOM 690 NE ARG A 92 26.170 -13.603 -0.261 1.00 0.00 N ATOM 691 CZ ARG A 92 26.520 -12.600 0.543 1.00 0.00 C ATOM 692 NH1 ARG A 92 25.716 -11.635 0.909 1.00 0.00 N ATOM 693 NH2 ARG A 92 27.737 -12.574 0.986 1.00 0.00 N ATOM 0 H ARG A 92 21.028 -12.269 -3.678 1.00 0.00 H new ATOM 0 HA ARG A 92 22.233 -12.395 -0.944 1.00 0.00 H new ATOM 0 HB2 ARG A 92 22.858 -13.952 -2.823 1.00 0.00 H new ATOM 0 HB3 ARG A 92 23.330 -12.569 -3.789 1.00 0.00 H new ATOM 0 HG2 ARG A 92 25.345 -13.518 -2.930 1.00 0.00 H new ATOM 0 HG3 ARG A 92 25.087 -12.022 -2.054 1.00 0.00 H new ATOM 0 HD2 ARG A 92 24.057 -13.445 -0.164 1.00 0.00 H new ATOM 0 HD3 ARG A 92 24.639 -14.858 -1.022 1.00 0.00 H new ATOM 0 HE ARG A 92 26.885 -14.295 -0.486 1.00 0.00 H new ATOM 0 HH11 ARG A 92 24.752 -11.620 0.575 1.00 0.00 H new ATOM 0 HH12 ARG A 92 26.053 -10.898 1.528 1.00 0.00 H new ATOM 0 HH21 ARG A 92 28.393 -13.307 0.717 1.00 0.00 H new ATOM 0 HH22 ARG A 92 28.039 -11.820 1.604 1.00 0.00 H new ATOM 694 N SER A 93 22.220 -9.851 -0.802 1.00 0.00 N ATOM 695 CA SER A 93 22.516 -8.404 -0.592 1.00 0.00 C ATOM 696 C SER A 93 23.953 -8.136 -0.034 1.00 0.00 C ATOM 697 O SER A 93 24.184 -7.526 1.011 1.00 0.00 O ATOM 698 CB SER A 93 21.389 -7.859 0.316 1.00 0.00 C ATOM 699 OG SER A 93 21.563 -6.461 0.550 1.00 0.00 O ATOM 0 H SER A 93 21.633 -10.262 -0.076 1.00 0.00 H new ATOM 0 HA SER A 93 22.526 -7.875 -1.545 1.00 0.00 H new ATOM 0 HB2 SER A 93 20.420 -8.037 -0.151 1.00 0.00 H new ATOM 0 HB3 SER A 93 21.389 -8.395 1.265 1.00 0.00 H new ATOM 0 HG SER A 93 22.458 -6.299 0.915 1.00 0.00 H new TER 700 SER A 93 HETATM 701 O OH A 94 24.934 -8.618 -0.860 1.00 0.00 O