USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=21 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 30 HIS : no HE2:sc= 0.0144 K(o=0.038,f=-1.1) USER MOD Set 1.2: A 59 TYR OH : rot -80:sc= 0.0234 USER MOD Set 2.1: A 19 ASN : amide:sc= -0.372 K(o=-0.37,f=-2.6) USER MOD Set 2.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 VAL N :NH3+ -161:sc= -0.317 (180deg=-0.957) USER MOD Single : A 10 ASN : amide:sc= 0.0223 K(o=0.022,f=-2.8!) USER MOD Single : A 20 SER OG : rot 109:sc= 1.87 USER MOD Single : A 22 GLN : amide:sc= 0.173 K(o=0.17,f=-4.9!) USER MOD Single : A 24 LYS NZ :NH3+ 169:sc= 0.0211 (180deg=-0.0718) USER MOD Single : A 25 SER OG : rot 103:sc= 0.411 USER MOD Single : A 26 ASN : amide:sc= 0.0784 X(o=0.078,f=-0.26) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -4:sc= 1.17 USER MOD Single : A 35 SER OG : rot -40:sc= 1.31 USER MOD Single : A 37 SER OG : rot 66:sc= -0.0335 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 63:sc= 1.07 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -126:sc= 0.0979 (180deg=0) 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 74 SER OG : rot 140:sc= 0 USER MOD Single : A 78 SER OG : rot 39:sc= 0.622 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 53:sc= 0.00942 USER MOD Single : A 83 ASN : amide:sc= 0.0142 K(o=0.014,f=-0.52) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -26.426 -13.695 9.067 1.00 0.00 N ATOM 2 CA VAL A 1 -26.187 -13.693 10.544 1.00 0.00 C ATOM 3 C VAL A 1 -25.312 -14.876 11.130 1.00 0.00 C ATOM 4 O VAL A 1 -24.601 -14.561 12.092 1.00 0.00 O ATOM 5 CB VAL A 1 -27.523 -13.504 11.353 1.00 0.00 C ATOM 6 CG1 VAL A 1 -28.193 -12.130 11.119 1.00 0.00 C ATOM 7 CG2 VAL A 1 -28.599 -14.604 11.197 1.00 0.00 C ATOM 0 H1 VAL A 1 -26.716 -12.744 8.761 1.00 0.00 H new ATOM 0 H2 VAL A 1 -25.551 -13.965 8.574 1.00 0.00 H new ATOM 0 H3 VAL A 1 -27.177 -14.377 8.838 1.00 0.00 H new ATOM 0 HA VAL A 1 -25.552 -12.819 10.687 1.00 0.00 H new ATOM 0 HB VAL A 1 -27.150 -13.580 12.374 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -29.109 -12.067 11.707 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -27.511 -11.336 11.423 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -28.432 -12.017 10.062 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -29.467 -14.352 11.806 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -28.897 -14.675 10.151 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -28.191 -15.561 11.524 1.00 0.00 H new ATOM 8 N PRO A 2 -25.263 -16.181 10.697 1.00 0.00 N ATOM 9 CA PRO A 2 -24.475 -17.236 11.407 1.00 0.00 C ATOM 10 C PRO A 2 -22.939 -17.257 11.076 1.00 0.00 C ATOM 11 O PRO A 2 -22.440 -18.103 10.331 1.00 0.00 O ATOM 12 CB PRO A 2 -25.257 -18.499 10.992 1.00 0.00 C ATOM 13 CG PRO A 2 -25.744 -18.213 9.570 1.00 0.00 C ATOM 14 CD PRO A 2 -26.052 -16.715 9.566 1.00 0.00 C ATOM 0 HA PRO A 2 -24.411 -17.092 12.486 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -24.622 -19.384 11.021 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -26.093 -18.685 11.666 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -24.983 -18.464 8.832 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -26.629 -18.801 9.328 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -25.762 -16.251 8.623 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -27.117 -16.527 9.699 1.00 0.00 H new ATOM 15 N ASP A 3 -22.193 -16.313 11.679 1.00 0.00 N ATOM 16 CA ASP A 3 -20.714 -16.141 11.500 1.00 0.00 C ATOM 17 C ASP A 3 -20.203 -16.005 9.999 1.00 0.00 C ATOM 18 O ASP A 3 -19.455 -16.883 9.549 1.00 0.00 O ATOM 19 CB ASP A 3 -20.019 -17.263 12.333 1.00 0.00 C ATOM 20 CG ASP A 3 -18.542 -17.036 12.643 1.00 0.00 C ATOM 21 OD1 ASP A 3 -17.747 -17.222 11.552 1.00 0.00 O ATOM 22 OD2 ASP A 3 -18.131 -16.726 13.756 1.00 0.00 O ATOM 0 H ASP A 3 -22.596 -15.629 12.319 1.00 0.00 H new ATOM 0 HA ASP A 3 -20.426 -15.161 11.880 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -20.556 -17.377 13.275 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -20.118 -18.205 11.794 1.00 0.00 H new ATOM 23 N PRO A 4 -20.507 -14.929 9.212 1.00 0.00 N ATOM 24 CA PRO A 4 -19.938 -14.749 7.843 1.00 0.00 C ATOM 25 C PRO A 4 -18.459 -14.223 7.814 1.00 0.00 C ATOM 26 O PRO A 4 -17.986 -13.591 8.767 1.00 0.00 O ATOM 27 CB PRO A 4 -20.956 -13.756 7.244 1.00 0.00 C ATOM 28 CG PRO A 4 -21.416 -12.897 8.427 1.00 0.00 C ATOM 29 CD PRO A 4 -21.477 -13.881 9.595 1.00 0.00 C ATOM 0 HA PRO A 4 -19.831 -15.681 7.289 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -20.499 -13.144 6.466 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -21.795 -14.279 6.786 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -20.718 -12.084 8.626 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -22.388 -12.443 8.236 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -21.203 -13.405 10.536 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -22.479 -14.289 9.724 1.00 0.00 H new ATOM 30 N ARG A 5 -17.731 -14.426 6.697 1.00 0.00 N ATOM 31 CA ARG A 5 -16.329 -13.913 6.553 1.00 0.00 C ATOM 32 C ARG A 5 -16.272 -12.397 6.122 1.00 0.00 C ATOM 33 O ARG A 5 -15.867 -12.016 5.020 1.00 0.00 O ATOM 34 CB ARG A 5 -15.566 -14.883 5.604 1.00 0.00 C ATOM 35 CG ARG A 5 -14.024 -14.702 5.576 1.00 0.00 C ATOM 36 CD ARG A 5 -13.303 -15.179 6.852 1.00 0.00 C ATOM 37 NE ARG A 5 -11.865 -14.830 6.755 1.00 0.00 N ATOM 38 CZ ARG A 5 -10.918 -15.228 7.593 1.00 0.00 C ATOM 39 NH1 ARG A 5 -11.093 -16.116 8.536 1.00 0.00 N ATOM 40 NH2 ARG A 5 -9.742 -14.698 7.463 1.00 0.00 N ATOM 0 H ARG A 5 -18.075 -14.935 5.883 1.00 0.00 H new ATOM 0 HA ARG A 5 -15.827 -13.908 7.520 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -15.790 -15.908 5.901 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -15.950 -14.753 4.592 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.622 -15.246 4.721 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.797 -13.648 5.418 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -13.745 -14.711 7.731 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.422 -16.256 6.971 1.00 0.00 H new ATOM 0 HE ARG A 5 -11.581 -14.233 5.978 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.007 -16.552 8.663 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -10.316 -16.373 9.145 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.574 -14.002 6.736 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -8.985 -14.977 8.088 1.00 0.00 H new ATOM 41 N GLY A 6 -16.676 -11.540 7.063 1.00 0.00 N ATOM 42 CA GLY A 6 -16.654 -10.056 6.910 1.00 0.00 C ATOM 43 C GLY A 6 -17.016 -9.256 8.183 1.00 0.00 C ATOM 44 O GLY A 6 -17.762 -8.277 8.133 1.00 0.00 O ATOM 0 H GLY A 6 -17.034 -11.845 7.968 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -15.659 -9.756 6.583 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -17.348 -9.779 6.117 1.00 0.00 H new ATOM 45 N ILE A 7 -16.461 -9.669 9.325 1.00 0.00 N ATOM 46 CA ILE A 7 -16.746 -9.094 10.667 1.00 0.00 C ATOM 47 C ILE A 7 -15.804 -7.872 10.959 1.00 0.00 C ATOM 48 O ILE A 7 -14.828 -7.945 11.708 1.00 0.00 O ATOM 49 CB ILE A 7 -16.722 -10.311 11.675 1.00 0.00 C ATOM 50 CG1 ILE A 7 -17.336 -9.954 13.052 1.00 0.00 C ATOM 51 CG2 ILE A 7 -15.324 -10.946 11.925 1.00 0.00 C ATOM 52 CD1 ILE A 7 -18.856 -9.723 13.000 1.00 0.00 C ATOM 0 H ILE A 7 -15.783 -10.430 9.356 1.00 0.00 H new ATOM 0 HA ILE A 7 -17.729 -8.633 10.763 1.00 0.00 H new ATOM 0 HB ILE A 7 -17.332 -11.053 11.159 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -17.122 -10.757 13.757 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -16.852 -9.056 13.436 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -15.420 -11.771 12.631 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -14.920 -11.319 10.984 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -14.651 -10.194 12.336 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -19.221 -9.477 13.997 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -19.076 -8.900 12.320 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -19.350 -10.628 12.646 1.00 0.00 H new ATOM 53 N ILE A 8 -16.114 -6.735 10.306 1.00 0.00 N ATOM 54 CA ILE A 8 -15.289 -5.469 10.327 1.00 0.00 C ATOM 55 C ILE A 8 -14.043 -5.578 9.362 1.00 0.00 C ATOM 56 O ILE A 8 -13.838 -4.686 8.532 1.00 0.00 O ATOM 57 CB ILE A 8 -14.919 -4.918 11.764 1.00 0.00 C ATOM 58 CG1 ILE A 8 -16.106 -4.850 12.776 1.00 0.00 C ATOM 59 CG2 ILE A 8 -14.256 -3.515 11.700 1.00 0.00 C ATOM 60 CD1 ILE A 8 -17.351 -4.040 12.361 1.00 0.00 C ATOM 0 H ILE A 8 -16.954 -6.649 9.734 1.00 0.00 H new ATOM 0 HA ILE A 8 -15.949 -4.695 9.935 1.00 0.00 H new ATOM 0 HB ILE A 8 -14.215 -5.661 12.138 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -16.425 -5.870 12.990 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -15.729 -4.432 13.709 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -14.020 -3.178 12.709 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -13.340 -3.572 11.113 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -14.943 -2.809 11.233 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -18.093 -4.080 13.158 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -17.067 -3.003 12.181 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -17.774 -4.464 11.450 1.00 0.00 H new ATOM 61 N ILE A 9 -13.215 -6.633 9.472 1.00 0.00 N ATOM 62 CA ILE A 9 -12.070 -6.894 8.545 1.00 0.00 C ATOM 63 C ILE A 9 -12.452 -7.957 7.441 1.00 0.00 C ATOM 64 O ILE A 9 -13.546 -8.527 7.434 1.00 0.00 O ATOM 65 CB ILE A 9 -10.762 -7.222 9.369 1.00 0.00 C ATOM 66 CG1 ILE A 9 -10.774 -8.569 10.150 1.00 0.00 C ATOM 67 CG2 ILE A 9 -10.405 -6.063 10.338 1.00 0.00 C ATOM 68 CD1 ILE A 9 -9.385 -8.993 10.672 1.00 0.00 C ATOM 0 H ILE A 9 -13.311 -7.337 10.204 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.840 -5.991 7.980 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.995 -7.335 8.603 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.459 -8.484 10.993 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.163 -9.353 9.500 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.501 -6.317 10.891 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -10.237 -5.150 9.767 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.227 -5.907 11.037 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.470 -9.940 11.206 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.701 -9.111 9.832 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.001 -8.229 11.348 1.00 0.00 H new ATOM 69 N ASN A 10 -11.516 -8.202 6.502 1.00 0.00 N ATOM 70 CA ASN A 10 -11.673 -9.071 5.280 1.00 0.00 C ATOM 71 C ASN A 10 -12.323 -8.265 4.093 1.00 0.00 C ATOM 72 O ASN A 10 -13.524 -8.369 3.826 1.00 0.00 O ATOM 73 CB ASN A 10 -12.395 -10.435 5.527 1.00 0.00 C ATOM 74 CG ASN A 10 -11.622 -11.414 6.395 1.00 0.00 C ATOM 75 OD1 ASN A 10 -10.699 -12.080 5.941 1.00 0.00 O ATOM 76 ND2 ASN A 10 -11.981 -11.560 7.642 1.00 0.00 N ATOM 0 H ASN A 10 -10.585 -7.790 6.561 1.00 0.00 H new ATOM 0 HA ASN A 10 -10.659 -9.354 4.997 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -13.361 -10.240 5.994 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -12.596 -10.904 4.564 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.493 -12.228 8.238 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -12.749 -11.006 8.020 1.00 0.00 H new ATOM 77 N LEU A 11 -11.505 -7.495 3.346 1.00 0.00 N ATOM 78 CA LEU A 11 -11.979 -6.611 2.236 1.00 0.00 C ATOM 79 C LEU A 11 -11.221 -6.801 0.885 1.00 0.00 C ATOM 80 O LEU A 11 -9.998 -6.952 0.808 1.00 0.00 O ATOM 81 CB LEU A 11 -11.941 -5.126 2.711 1.00 0.00 C ATOM 82 CG LEU A 11 -13.279 -4.673 3.335 1.00 0.00 C ATOM 83 CD1 LEU A 11 -13.062 -3.701 4.503 1.00 0.00 C ATOM 84 CD2 LEU A 11 -14.189 -4.027 2.283 1.00 0.00 C ATOM 0 H LEU A 11 -10.495 -7.461 3.487 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.004 -6.908 2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.142 -5.001 3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.702 -4.483 1.864 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.766 -5.568 3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.027 -3.406 4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.471 -4.189 5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -12.534 -2.817 4.147 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.124 -3.718 2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.691 -3.156 1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.400 -4.747 1.493 1.00 0.00 H new ATOM 85 N ASP A 12 -11.991 -6.761 -0.211 1.00 0.00 N ATOM 86 CA ASP A 12 -11.438 -6.930 -1.588 1.00 0.00 C ATOM 87 C ASP A 12 -10.723 -5.643 -2.127 1.00 0.00 C ATOM 88 O ASP A 12 -10.984 -4.514 -1.696 1.00 0.00 O ATOM 89 CB ASP A 12 -12.605 -7.351 -2.517 1.00 0.00 C ATOM 90 CG ASP A 12 -13.068 -8.807 -2.450 1.00 0.00 C ATOM 91 OD1 ASP A 12 -13.410 -9.202 -1.192 1.00 0.00 O ATOM 92 OD2 ASP A 12 -13.124 -9.530 -3.438 1.00 0.00 O ATOM 0 H ASP A 12 -13.000 -6.614 -0.185 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.665 -7.698 -1.563 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.461 -6.715 -2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.311 -7.138 -3.545 1.00 0.00 H new ATOM 93 N GLU A 13 -9.815 -5.844 -3.096 1.00 0.00 N ATOM 94 CA GLU A 13 -8.975 -4.742 -3.653 1.00 0.00 C ATOM 95 C GLU A 13 -9.812 -3.947 -4.710 1.00 0.00 C ATOM 96 O GLU A 13 -10.307 -4.480 -5.706 1.00 0.00 O ATOM 97 CB GLU A 13 -7.610 -5.285 -4.161 1.00 0.00 C ATOM 98 CG GLU A 13 -6.596 -5.720 -3.061 1.00 0.00 C ATOM 99 CD GLU A 13 -6.991 -6.852 -2.108 1.00 0.00 C ATOM 100 OE1 GLU A 13 -6.808 -8.046 -2.329 1.00 0.00 O ATOM 101 OE2 GLU A 13 -7.589 -6.381 -0.978 1.00 0.00 O ATOM 0 H GLU A 13 -9.635 -6.755 -3.518 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.705 -4.027 -2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.800 -6.140 -4.810 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.142 -4.516 -4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.672 -6.014 -3.560 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.367 -4.843 -2.456 1.00 0.00 H new ATOM 102 N GLY A 14 -9.980 -2.658 -4.417 1.00 0.00 N ATOM 103 CA GLY A 14 -10.879 -1.733 -5.165 1.00 0.00 C ATOM 104 C GLY A 14 -11.858 -0.913 -4.272 1.00 0.00 C ATOM 105 O GLY A 14 -12.363 0.114 -4.723 1.00 0.00 O ATOM 0 H GLY A 14 -9.494 -2.204 -3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.266 -1.039 -5.741 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.461 -2.314 -5.881 1.00 0.00 H new ATOM 106 N GLU A 15 -12.144 -1.349 -3.030 1.00 0.00 N ATOM 107 CA GLU A 15 -13.071 -0.691 -2.092 1.00 0.00 C ATOM 108 C GLU A 15 -12.312 0.181 -1.027 1.00 0.00 C ATOM 109 O GLU A 15 -11.120 -0.006 -0.754 1.00 0.00 O ATOM 110 CB GLU A 15 -13.826 -1.940 -1.545 1.00 0.00 C ATOM 111 CG GLU A 15 -14.807 -1.731 -0.386 1.00 0.00 C ATOM 112 CD GLU A 15 -16.020 -0.839 -0.651 1.00 0.00 C ATOM 113 OE1 GLU A 15 -15.950 0.371 -0.843 1.00 0.00 O ATOM 114 OE2 GLU A 15 -17.188 -1.533 -0.643 1.00 0.00 O ATOM 0 H GLU A 15 -11.724 -2.193 -2.641 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.746 0.054 -2.514 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.376 -2.388 -2.373 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.081 -2.669 -1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -15.169 -2.709 -0.069 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.254 -1.309 0.453 1.00 0.00 H new ATOM 115 N LEU A 16 -13.016 1.146 -0.418 1.00 0.00 N ATOM 116 CA LEU A 16 -12.416 2.084 0.574 1.00 0.00 C ATOM 117 C LEU A 16 -12.159 1.433 1.988 1.00 0.00 C ATOM 118 O LEU A 16 -13.001 0.720 2.543 1.00 0.00 O ATOM 119 CB LEU A 16 -13.349 3.328 0.654 1.00 0.00 C ATOM 120 CG LEU A 16 -12.654 4.628 1.144 1.00 0.00 C ATOM 121 CD1 LEU A 16 -11.862 5.315 0.017 1.00 0.00 C ATOM 122 CD2 LEU A 16 -13.685 5.623 1.699 1.00 0.00 C ATOM 0 H LEU A 16 -14.009 1.307 -0.589 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.420 2.372 0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -13.776 3.510 -0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.179 3.101 1.323 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.961 4.333 1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.392 6.220 0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.094 4.636 -0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -12.539 5.576 -0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.175 6.525 2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.400 5.881 0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -14.213 5.170 2.538 1.00 0.00 H new ATOM 123 N CYS A 17 -10.975 1.702 2.553 1.00 0.00 N ATOM 124 CA CYS A 17 -10.538 1.210 3.886 1.00 0.00 C ATOM 125 C CYS A 17 -9.895 2.340 4.756 1.00 0.00 C ATOM 126 O CYS A 17 -9.422 3.364 4.252 1.00 0.00 O ATOM 127 CB CYS A 17 -9.497 0.094 3.623 1.00 0.00 C ATOM 128 SG CYS A 17 -8.180 0.688 2.525 1.00 0.00 S ATOM 0 H CYS A 17 -10.271 2.280 2.094 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.401 0.846 4.444 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.067 -0.238 4.568 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.988 -0.770 3.175 1.00 0.00 H new ATOM 129 N LEU A 18 -9.851 2.135 6.084 1.00 0.00 N ATOM 130 CA LEU A 18 -9.133 3.060 7.004 1.00 0.00 C ATOM 131 C LEU A 18 -7.674 2.520 7.186 1.00 0.00 C ATOM 132 O LEU A 18 -6.765 3.098 6.604 1.00 0.00 O ATOM 133 CB LEU A 18 -9.932 3.273 8.326 1.00 0.00 C ATOM 134 CG LEU A 18 -11.286 4.023 8.230 1.00 0.00 C ATOM 135 CD1 LEU A 18 -11.991 4.007 9.597 1.00 0.00 C ATOM 136 CD2 LEU A 18 -11.127 5.484 7.771 1.00 0.00 C ATOM 0 H LEU A 18 -10.298 1.345 6.550 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.057 4.063 6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.120 2.294 8.767 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.294 3.818 9.021 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.881 3.501 7.481 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.941 4.536 9.522 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.172 2.976 9.901 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.360 4.498 10.338 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.107 5.959 7.722 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.498 6.022 8.480 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.663 5.507 6.785 1.00 0.00 H new ATOM 137 N ASN A 19 -7.425 1.472 7.990 1.00 0.00 N ATOM 138 CA ASN A 19 -6.078 0.830 8.131 1.00 0.00 C ATOM 139 C ASN A 19 -5.794 -0.374 7.148 1.00 0.00 C ATOM 140 O ASN A 19 -6.712 -0.941 6.547 1.00 0.00 O ATOM 141 CB ASN A 19 -5.937 0.466 9.643 1.00 0.00 C ATOM 142 CG ASN A 19 -6.896 -0.604 10.183 1.00 0.00 C ATOM 143 OD1 ASN A 19 -6.901 -1.740 9.737 1.00 0.00 O ATOM 144 ND2 ASN A 19 -7.743 -0.298 11.127 1.00 0.00 N ATOM 0 H ASN A 19 -8.144 1.035 8.567 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.302 1.529 7.820 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.916 0.128 9.819 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.077 1.376 10.227 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.392 -1.002 11.478 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.756 0.646 11.514 1.00 0.00 H new ATOM 145 N SER A 20 -4.520 -0.822 7.044 1.00 0.00 N ATOM 146 CA SER A 20 -4.152 -2.038 6.229 1.00 0.00 C ATOM 147 C SER A 20 -4.620 -3.419 6.806 1.00 0.00 C ATOM 148 O SER A 20 -4.760 -4.367 6.032 1.00 0.00 O ATOM 149 CB SER A 20 -2.630 -2.093 5.962 1.00 0.00 C ATOM 150 OG SER A 20 -2.243 -1.117 4.996 1.00 0.00 O ATOM 0 H SER A 20 -3.727 -0.375 7.504 1.00 0.00 H new ATOM 0 HA SER A 20 -4.709 -1.899 5.303 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.088 -1.923 6.892 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.355 -3.087 5.610 1.00 0.00 H new ATOM 0 HG SER A 20 -1.740 -0.401 5.438 1.00 0.00 H new ATOM 151 N ALA A 21 -4.918 -3.528 8.115 1.00 0.00 N ATOM 152 CA ALA A 21 -5.484 -4.766 8.721 1.00 0.00 C ATOM 153 C ALA A 21 -7.001 -5.082 8.416 1.00 0.00 C ATOM 154 O ALA A 21 -7.537 -6.085 8.888 1.00 0.00 O ATOM 155 CB ALA A 21 -5.230 -4.548 10.228 1.00 0.00 C ATOM 0 H ALA A 21 -4.778 -2.771 8.784 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.009 -5.648 8.291 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.608 -5.403 10.788 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.160 -4.442 10.405 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.743 -3.644 10.556 1.00 0.00 H new ATOM 156 N GLN A 22 -7.652 -4.274 7.565 1.00 0.00 N ATOM 157 CA GLN A 22 -9.038 -4.486 7.079 1.00 0.00 C ATOM 158 C GLN A 22 -9.134 -5.230 5.706 1.00 0.00 C ATOM 159 O GLN A 22 -10.126 -5.925 5.501 1.00 0.00 O ATOM 160 CB GLN A 22 -9.710 -3.090 6.972 1.00 0.00 C ATOM 161 CG GLN A 22 -10.159 -2.467 8.317 1.00 0.00 C ATOM 162 CD GLN A 22 -10.790 -1.089 8.165 1.00 0.00 C ATOM 163 OE1 GLN A 22 -10.112 -0.073 8.104 1.00 0.00 O ATOM 164 NE2 GLN A 22 -12.093 -1.000 8.081 1.00 0.00 N ATOM 0 H GLN A 22 -7.224 -3.431 7.182 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.544 -5.138 7.791 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.013 -2.406 6.488 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.580 -3.173 6.320 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.874 -3.135 8.797 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -9.297 -2.393 8.980 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.666 -1.842 8.131 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.536 -0.088 7.966 1.00 0.00 H new ATOM 165 N CYS A 23 -8.186 -5.099 4.765 1.00 0.00 N ATOM 166 CA CYS A 23 -8.224 -5.823 3.474 1.00 0.00 C ATOM 167 C CYS A 23 -7.776 -7.329 3.566 1.00 0.00 C ATOM 168 O CYS A 23 -7.034 -7.723 4.470 1.00 0.00 O ATOM 169 CB CYS A 23 -7.276 -5.043 2.543 1.00 0.00 C ATOM 170 SG CYS A 23 -7.448 -3.236 2.564 1.00 0.00 S ATOM 0 H CYS A 23 -7.373 -4.492 4.872 1.00 0.00 H new ATOM 0 HA CYS A 23 -9.251 -5.866 3.112 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.249 -5.293 2.810 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.434 -5.391 1.522 1.00 0.00 H new ATOM 171 N LYS A 24 -8.198 -8.174 2.602 1.00 0.00 N ATOM 172 CA LYS A 24 -7.717 -9.590 2.479 1.00 0.00 C ATOM 173 C LYS A 24 -6.163 -9.597 2.217 1.00 0.00 C ATOM 174 O LYS A 24 -5.389 -10.192 2.970 1.00 0.00 O ATOM 175 CB LYS A 24 -8.481 -10.334 1.343 1.00 0.00 C ATOM 176 CG LYS A 24 -10.022 -10.396 1.265 1.00 0.00 C ATOM 177 CD LYS A 24 -10.699 -11.331 2.282 1.00 0.00 C ATOM 178 CE LYS A 24 -12.120 -11.786 1.885 1.00 0.00 C ATOM 179 NZ LYS A 24 -13.086 -10.671 1.751 1.00 0.00 N ATOM 0 H LYS A 24 -8.876 -7.909 1.887 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.918 -10.119 3.411 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.141 -9.897 0.404 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.131 -11.366 1.359 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.416 -9.389 1.404 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.305 -10.713 0.261 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.073 -12.213 2.418 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.749 -10.824 3.246 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.068 -12.326 0.940 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.490 -12.488 2.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.959 -11.020 1.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.306 -10.287 2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.672 -9.922 1.160 1.00 0.00 H new ATOM 180 N SER A 25 -5.726 -8.915 1.137 1.00 0.00 N ATOM 181 CA SER A 25 -4.290 -8.636 0.891 1.00 0.00 C ATOM 182 C SER A 25 -4.037 -7.348 1.746 1.00 0.00 C ATOM 183 O SER A 25 -4.549 -6.281 1.397 1.00 0.00 O ATOM 184 CB SER A 25 -3.987 -8.404 -0.609 1.00 0.00 C ATOM 185 OG SER A 25 -4.393 -9.503 -1.428 1.00 0.00 O ATOM 0 H SER A 25 -6.348 -8.545 0.418 1.00 0.00 H new ATOM 0 HA SER A 25 -3.642 -9.468 1.164 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.495 -7.500 -0.943 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.918 -8.235 -0.738 1.00 0.00 H new ATOM 0 HG SER A 25 -5.225 -9.275 -1.893 1.00 0.00 H new ATOM 186 N ASN A 26 -3.266 -7.452 2.839 1.00 0.00 N ATOM 187 CA ASN A 26 -3.074 -6.340 3.830 1.00 0.00 C ATOM 188 C ASN A 26 -2.306 -5.087 3.254 1.00 0.00 C ATOM 189 O ASN A 26 -1.104 -4.866 3.435 1.00 0.00 O ATOM 190 CB ASN A 26 -2.335 -7.057 5.006 1.00 0.00 C ATOM 191 CG ASN A 26 -2.106 -6.280 6.303 1.00 0.00 C ATOM 192 OD1 ASN A 26 -2.794 -6.445 7.299 1.00 0.00 O ATOM 193 ND2 ASN A 26 -1.097 -5.454 6.375 1.00 0.00 N ATOM 0 H ASN A 26 -2.752 -8.300 3.076 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.014 -5.882 4.138 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.899 -7.956 5.253 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.362 -7.382 4.638 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.899 -4.965 7.248 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.506 -5.298 5.558 1.00 0.00 H new ATOM 194 N CYS A 27 -3.105 -4.255 2.574 1.00 0.00 N ATOM 195 CA CYS A 27 -2.633 -3.081 1.802 1.00 0.00 C ATOM 196 C CYS A 27 -3.722 -1.963 1.663 1.00 0.00 C ATOM 197 O CYS A 27 -4.412 -1.881 0.643 1.00 0.00 O ATOM 198 CB CYS A 27 -2.211 -3.641 0.408 1.00 0.00 C ATOM 199 SG CYS A 27 -2.028 -2.357 -0.860 1.00 0.00 S ATOM 0 H CYS A 27 -4.117 -4.374 2.540 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.805 -2.593 2.316 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.267 -4.177 0.511 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.954 -4.366 0.076 1.00 0.00 H new ATOM 200 N CYS A 28 -3.892 -1.082 2.669 1.00 0.00 N ATOM 201 CA CYS A 28 -4.765 0.120 2.530 1.00 0.00 C ATOM 202 C CYS A 28 -3.840 1.192 1.888 1.00 0.00 C ATOM 203 O CYS A 28 -2.849 1.637 2.481 1.00 0.00 O ATOM 204 CB CYS A 28 -5.371 0.588 3.859 1.00 0.00 C ATOM 205 SG CYS A 28 -6.757 1.692 3.527 1.00 0.00 S ATOM 0 H CYS A 28 -3.445 -1.171 3.581 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.642 -0.091 1.919 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.706 -0.270 4.441 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.617 1.102 4.455 1.00 0.00 H new ATOM 206 N GLN A 29 -4.135 1.547 0.641 1.00 0.00 N ATOM 207 CA GLN A 29 -3.258 2.406 -0.176 1.00 0.00 C ATOM 208 C GLN A 29 -3.720 3.897 -0.198 1.00 0.00 C ATOM 209 O GLN A 29 -4.840 4.237 -0.587 1.00 0.00 O ATOM 210 CB GLN A 29 -3.207 1.660 -1.536 1.00 0.00 C ATOM 211 CG GLN A 29 -2.015 2.020 -2.465 1.00 0.00 C ATOM 212 CD GLN A 29 -2.429 2.833 -3.678 1.00 0.00 C ATOM 213 OE1 GLN A 29 -2.700 2.322 -4.758 1.00 0.00 O ATOM 214 NE2 GLN A 29 -2.588 4.110 -3.512 1.00 0.00 N ATOM 0 H GLN A 29 -4.985 1.252 0.161 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.250 2.533 0.219 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.178 0.588 -1.339 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.134 1.861 -2.073 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.274 2.581 -1.895 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.532 1.102 -2.798 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.364 4.539 -2.614 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.937 4.684 -4.279 1.00 0.00 H new ATOM 215 N HIS A 30 -2.811 4.789 0.215 1.00 0.00 N ATOM 216 CA HIS A 30 -3.088 6.239 0.397 1.00 0.00 C ATOM 217 C HIS A 30 -3.064 7.023 -0.952 1.00 0.00 C ATOM 218 O HIS A 30 -2.086 6.981 -1.704 1.00 0.00 O ATOM 219 CB HIS A 30 -2.002 6.781 1.376 1.00 0.00 C ATOM 220 CG HIS A 30 -2.337 8.013 2.218 1.00 0.00 C ATOM 221 ND1 HIS A 30 -2.221 8.016 3.602 1.00 0.00 N ATOM 222 CD2 HIS A 30 -2.618 9.308 1.753 1.00 0.00 C ATOM 223 CE1 HIS A 30 -2.465 9.339 3.851 1.00 0.00 C ATOM 224 NE2 HIS A 30 -2.690 10.194 2.812 1.00 0.00 N ATOM 0 H HIS A 30 -1.849 4.532 0.437 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.092 6.379 0.798 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.737 5.974 2.059 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -1.111 7.010 0.791 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -2.014 7.253 4.246 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -2.758 9.574 0.716 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -2.479 9.705 4.867 1.00 0.00 H new ATOM 225 N ASP A 31 -4.111 7.812 -1.215 1.00 0.00 N ATOM 226 CA ASP A 31 -4.193 8.708 -2.405 1.00 0.00 C ATOM 227 C ASP A 31 -3.347 10.044 -2.340 1.00 0.00 C ATOM 228 O ASP A 31 -3.799 11.110 -2.763 1.00 0.00 O ATOM 229 CB ASP A 31 -5.715 8.926 -2.656 1.00 0.00 C ATOM 230 CG ASP A 31 -6.497 9.793 -1.661 1.00 0.00 C ATOM 231 OD1 ASP A 31 -6.068 10.135 -0.564 1.00 0.00 O ATOM 232 OD2 ASP A 31 -7.727 10.131 -2.139 1.00 0.00 O ATOM 0 H ASP A 31 -4.935 7.857 -0.615 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.707 8.227 -3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.829 9.369 -3.645 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.191 7.946 -2.689 1.00 0.00 H new ATOM 233 N THR A 32 -2.090 9.963 -1.864 1.00 0.00 N ATOM 234 CA THR A 32 -1.093 11.083 -1.826 1.00 0.00 C ATOM 235 C THR A 32 -1.539 12.317 -0.961 1.00 0.00 C ATOM 236 O THR A 32 -2.151 13.259 -1.467 1.00 0.00 O ATOM 237 CB THR A 32 -0.597 11.476 -3.260 1.00 0.00 C ATOM 238 OG1 THR A 32 -1.639 12.056 -4.038 1.00 0.00 O ATOM 239 CG2 THR A 32 -0.051 10.289 -4.074 1.00 0.00 C ATOM 0 H THR A 32 -1.715 9.095 -1.480 1.00 0.00 H new ATOM 0 HA THR A 32 -0.229 10.687 -1.293 1.00 0.00 H new ATOM 0 HB THR A 32 0.207 12.188 -3.074 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.477 12.034 -3.531 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.273 10.638 -5.054 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.795 9.846 -3.549 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.834 9.541 -4.196 1.00 0.00 H new ATOM 240 N ILE A 33 -1.236 12.306 0.355 1.00 0.00 N ATOM 241 CA ILE A 33 -1.558 13.414 1.331 1.00 0.00 C ATOM 242 C ILE A 33 -3.083 13.463 1.738 1.00 0.00 C ATOM 243 O ILE A 33 -3.375 13.369 2.932 1.00 0.00 O ATOM 244 CB ILE A 33 -0.988 14.831 0.924 1.00 0.00 C ATOM 245 CG1 ILE A 33 0.506 14.851 0.471 1.00 0.00 C ATOM 246 CG2 ILE A 33 -1.157 15.886 2.052 1.00 0.00 C ATOM 247 CD1 ILE A 33 1.554 14.297 1.456 1.00 0.00 C ATOM 0 H ILE A 33 -0.753 11.522 0.794 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.010 13.142 2.233 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.597 15.087 0.057 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.584 14.285 -0.457 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.774 15.882 0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.749 16.841 1.721 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.215 16.004 2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.625 15.554 2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.547 14.373 1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.525 14.874 2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.332 13.252 1.673 1.00 0.00 H new ATOM 248 N LEU A 34 -4.031 13.595 0.788 1.00 0.00 N ATOM 249 CA LEU A 34 -5.511 13.702 1.036 1.00 0.00 C ATOM 250 C LEU A 34 -6.161 12.749 2.110 1.00 0.00 C ATOM 251 O LEU A 34 -6.986 13.202 2.906 1.00 0.00 O ATOM 252 CB LEU A 34 -6.208 13.501 -0.349 1.00 0.00 C ATOM 253 CG LEU A 34 -6.284 14.660 -1.371 1.00 0.00 C ATOM 254 CD1 LEU A 34 -7.082 15.867 -0.853 1.00 0.00 C ATOM 255 CD2 LEU A 34 -4.928 15.120 -1.927 1.00 0.00 C ATOM 0 H LEU A 34 -3.798 13.633 -0.204 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.664 14.683 1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.705 12.670 -0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.231 13.182 -0.150 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.827 14.219 -2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.099 16.646 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.103 15.558 -0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.611 16.254 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.082 15.935 -2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.297 15.465 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.441 14.287 -2.434 1.00 0.00 H new ATOM 256 N SER A 35 -5.803 11.455 2.086 1.00 0.00 N ATOM 257 CA SER A 35 -6.183 10.384 3.076 1.00 0.00 C ATOM 258 C SER A 35 -7.398 9.452 2.750 1.00 0.00 C ATOM 259 O SER A 35 -7.584 8.472 3.481 1.00 0.00 O ATOM 260 CB SER A 35 -6.198 10.862 4.559 1.00 0.00 C ATOM 261 OG SER A 35 -7.365 11.619 4.877 1.00 0.00 O ATOM 0 H SER A 35 -5.208 11.088 1.343 1.00 0.00 H new ATOM 0 HA SER A 35 -5.335 9.713 2.938 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.140 9.995 5.217 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.312 11.468 4.751 1.00 0.00 H new ATOM 0 HG SER A 35 -7.586 12.210 4.127 1.00 0.00 H new ATOM 262 N LEU A 36 -8.171 9.642 1.660 1.00 0.00 N ATOM 263 CA LEU A 36 -9.237 8.673 1.246 1.00 0.00 C ATOM 264 C LEU A 36 -8.499 7.432 0.623 1.00 0.00 C ATOM 265 O LEU A 36 -8.120 7.396 -0.552 1.00 0.00 O ATOM 266 CB LEU A 36 -10.254 9.352 0.286 1.00 0.00 C ATOM 267 CG LEU A 36 -11.387 10.161 0.970 1.00 0.00 C ATOM 268 CD1 LEU A 36 -10.912 11.516 1.524 1.00 0.00 C ATOM 269 CD2 LEU A 36 -12.539 10.413 -0.017 1.00 0.00 C ATOM 0 H LEU A 36 -8.086 10.451 1.045 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.839 8.337 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.707 10.019 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.708 8.581 -0.337 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.724 9.554 1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.751 12.033 1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.130 11.352 2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.518 12.124 0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.325 10.982 0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.168 10.977 -0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.941 9.459 -0.358 1.00 0.00 H new ATOM 270 N SER A 37 -8.289 6.423 1.474 1.00 0.00 N ATOM 271 CA SER A 37 -7.442 5.249 1.158 1.00 0.00 C ATOM 272 C SER A 37 -8.250 4.006 0.675 1.00 0.00 C ATOM 273 O SER A 37 -9.275 3.623 1.240 1.00 0.00 O ATOM 274 CB SER A 37 -6.631 4.962 2.444 1.00 0.00 C ATOM 275 OG SER A 37 -5.889 6.115 2.866 1.00 0.00 O ATOM 0 H SER A 37 -8.699 6.389 2.407 1.00 0.00 H new ATOM 0 HA SER A 37 -6.791 5.468 0.312 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.308 4.652 3.240 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.947 4.133 2.266 1.00 0.00 H new ATOM 0 HG SER A 37 -6.510 6.821 3.141 1.00 0.00 H new ATOM 276 N ARG A 38 -7.767 3.386 -0.401 1.00 0.00 N ATOM 277 CA ARG A 38 -8.426 2.227 -1.067 1.00 0.00 C ATOM 278 C ARG A 38 -7.567 0.925 -0.945 1.00 0.00 C ATOM 279 O ARG A 38 -6.338 0.977 -1.012 1.00 0.00 O ATOM 280 CB ARG A 38 -8.609 2.681 -2.544 1.00 0.00 C ATOM 281 CG ARG A 38 -9.287 1.670 -3.504 1.00 0.00 C ATOM 282 CD ARG A 38 -9.300 2.102 -4.986 1.00 0.00 C ATOM 283 NE ARG A 38 -7.941 2.249 -5.587 1.00 0.00 N ATOM 284 CZ ARG A 38 -7.157 1.256 -5.998 1.00 0.00 C ATOM 285 NH1 ARG A 38 -7.477 -0.008 -5.936 1.00 0.00 N ATOM 286 NH2 ARG A 38 -5.994 1.562 -6.483 1.00 0.00 N ATOM 0 H ARG A 38 -6.896 3.666 -0.852 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.378 1.968 -0.604 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.196 3.600 -2.547 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.627 2.928 -2.948 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.774 0.712 -3.423 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.314 1.511 -3.176 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.864 1.369 -5.563 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.829 3.051 -5.073 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.581 3.198 -5.692 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.380 -0.287 -5.553 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.824 -0.716 -6.271 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.706 2.539 -6.540 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.367 0.826 -6.808 1.00 0.00 H new ATOM 287 N CYS A 39 -8.182 -0.264 -0.801 1.00 0.00 N ATOM 288 CA CYS A 39 -7.422 -1.543 -0.822 1.00 0.00 C ATOM 289 C CYS A 39 -6.866 -1.843 -2.250 1.00 0.00 C ATOM 290 O CYS A 39 -7.566 -1.763 -3.262 1.00 0.00 O ATOM 291 CB CYS A 39 -8.304 -2.717 -0.374 1.00 0.00 C ATOM 292 SG CYS A 39 -8.898 -2.631 1.325 1.00 0.00 S ATOM 0 H CYS A 39 -9.188 -0.373 -0.670 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.589 -1.432 -0.127 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -9.165 -2.778 -1.040 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.740 -3.641 -0.498 1.00 0.00 H new ATOM 293 N ALA A 40 -5.588 -2.201 -2.300 1.00 0.00 N ATOM 294 CA ALA A 40 -4.843 -2.387 -3.567 1.00 0.00 C ATOM 295 C ALA A 40 -3.839 -3.591 -3.579 1.00 0.00 C ATOM 296 O ALA A 40 -3.689 -4.345 -2.613 1.00 0.00 O ATOM 297 CB ALA A 40 -4.181 -1.007 -3.739 1.00 0.00 C ATOM 0 H ALA A 40 -5.026 -2.374 -1.467 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.485 -2.674 -4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.587 -1.000 -4.653 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.952 -0.239 -3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.535 -0.804 -2.885 1.00 0.00 H new ATOM 298 N LEU A 41 -3.176 -3.784 -4.725 1.00 0.00 N ATOM 299 CA LEU A 41 -2.151 -4.847 -4.920 1.00 0.00 C ATOM 300 C LEU A 41 -0.701 -4.417 -4.488 1.00 0.00 C ATOM 301 O LEU A 41 -0.378 -3.231 -4.364 1.00 0.00 O ATOM 302 CB LEU A 41 -2.251 -5.351 -6.401 1.00 0.00 C ATOM 303 CG LEU A 41 -2.080 -4.443 -7.660 1.00 0.00 C ATOM 304 CD1 LEU A 41 -3.291 -3.544 -7.958 1.00 0.00 C ATOM 305 CD2 LEU A 41 -0.794 -3.604 -7.680 1.00 0.00 C ATOM 0 H LEU A 41 -3.327 -3.211 -5.555 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.363 -5.678 -4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.511 -6.145 -6.500 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.232 -5.816 -6.496 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.000 -5.178 -8.461 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.090 -2.946 -8.847 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.171 -4.164 -8.128 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.471 -2.883 -7.110 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.763 -3.007 -8.591 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.777 -2.944 -6.813 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.072 -4.265 -7.650 1.00 0.00 H new ATOM 306 N LYS A 42 0.173 -5.410 -4.247 1.00 0.00 N ATOM 307 CA LYS A 42 1.614 -5.169 -3.929 1.00 0.00 C ATOM 308 C LYS A 42 2.487 -4.920 -5.224 1.00 0.00 C ATOM 309 O LYS A 42 2.136 -5.328 -6.338 1.00 0.00 O ATOM 310 CB LYS A 42 2.068 -6.327 -2.970 1.00 0.00 C ATOM 311 CG LYS A 42 3.023 -7.435 -3.472 1.00 0.00 C ATOM 312 CD LYS A 42 2.460 -8.401 -4.532 1.00 0.00 C ATOM 313 CE LYS A 42 1.344 -9.362 -4.085 1.00 0.00 C ATOM 314 NZ LYS A 42 1.853 -10.376 -3.136 1.00 0.00 N ATOM 0 H LYS A 42 -0.084 -6.397 -4.264 1.00 0.00 H new ATOM 0 HA LYS A 42 1.769 -4.231 -3.396 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.542 -5.861 -2.106 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.164 -6.820 -2.611 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.912 -6.958 -3.884 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.345 -8.022 -2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.081 -7.807 -5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.286 -8.998 -4.917 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.539 -8.795 -3.617 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.919 -9.859 -4.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.077 -11.008 -2.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.604 -10.932 -3.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.237 -9.902 -2.294 1.00 0.00 H new ATOM 315 N ALA A 43 3.634 -4.240 -5.077 1.00 0.00 N ATOM 316 CA ALA A 43 4.499 -3.846 -6.217 1.00 0.00 C ATOM 317 C ALA A 43 5.446 -4.958 -6.799 1.00 0.00 C ATOM 318 O ALA A 43 5.692 -6.026 -6.228 1.00 0.00 O ATOM 319 CB ALA A 43 5.283 -2.621 -5.691 1.00 0.00 C ATOM 0 H ALA A 43 3.994 -3.945 -4.170 1.00 0.00 H new ATOM 0 HA ALA A 43 3.878 -3.633 -7.087 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.954 -2.257 -6.469 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.583 -1.832 -5.416 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.865 -2.910 -4.816 1.00 0.00 H new ATOM 320 N ARG A 44 5.980 -4.650 -7.986 1.00 0.00 N ATOM 321 CA ARG A 44 6.932 -5.513 -8.737 1.00 0.00 C ATOM 322 C ARG A 44 8.179 -4.704 -9.225 1.00 0.00 C ATOM 323 O ARG A 44 8.248 -3.477 -9.130 1.00 0.00 O ATOM 324 CB ARG A 44 6.148 -6.173 -9.911 1.00 0.00 C ATOM 325 CG ARG A 44 5.567 -7.552 -9.538 1.00 0.00 C ATOM 326 CD ARG A 44 4.811 -8.260 -10.676 1.00 0.00 C ATOM 327 NE ARG A 44 5.741 -8.791 -11.715 1.00 0.00 N ATOM 328 CZ ARG A 44 6.001 -8.219 -12.888 1.00 0.00 C ATOM 329 NH1 ARG A 44 5.435 -7.120 -13.314 1.00 0.00 N ATOM 330 NH2 ARG A 44 6.880 -8.782 -13.656 1.00 0.00 N ATOM 0 H ARG A 44 5.766 -3.779 -8.471 1.00 0.00 H new ATOM 0 HA ARG A 44 7.332 -6.292 -8.088 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.337 -5.512 -10.217 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.811 -6.283 -10.769 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.381 -8.196 -9.205 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.891 -7.430 -8.692 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.220 -9.079 -10.265 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.112 -7.562 -11.137 1.00 0.00 H new ATOM 0 HE ARG A 44 6.219 -9.668 -11.508 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.744 -6.644 -12.734 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.684 -6.739 -14.227 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.348 -9.637 -13.354 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.104 -8.371 -14.562 1.00 0.00 H new ATOM 331 N GLU A 45 9.177 -5.427 -9.754 1.00 0.00 N ATOM 332 CA GLU A 45 10.498 -4.878 -10.178 1.00 0.00 C ATOM 333 C GLU A 45 10.473 -3.556 -11.028 1.00 0.00 C ATOM 334 O GLU A 45 9.766 -3.439 -12.031 1.00 0.00 O ATOM 335 CB GLU A 45 11.232 -5.999 -10.970 1.00 0.00 C ATOM 336 CG GLU A 45 12.778 -5.860 -10.962 1.00 0.00 C ATOM 337 CD GLU A 45 13.495 -6.781 -11.940 1.00 0.00 C ATOM 338 OE1 GLU A 45 13.725 -6.491 -13.108 1.00 0.00 O ATOM 339 OE2 GLU A 45 13.859 -7.962 -11.372 1.00 0.00 O ATOM 0 H GLU A 45 9.099 -6.432 -9.907 1.00 0.00 H new ATOM 0 HA GLU A 45 11.012 -4.583 -9.263 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.961 -6.967 -10.548 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.881 -5.992 -12.002 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.039 -4.828 -11.195 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.144 -6.062 -9.955 1.00 0.00 H new ATOM 340 N ASN A 46 11.281 -2.580 -10.590 1.00 0.00 N ATOM 341 CA ASN A 46 11.345 -1.187 -11.156 1.00 0.00 C ATOM 342 C ASN A 46 10.120 -0.253 -10.811 1.00 0.00 C ATOM 343 O ASN A 46 10.054 0.869 -11.321 1.00 0.00 O ATOM 344 CB ASN A 46 11.718 -1.174 -12.670 1.00 0.00 C ATOM 345 CG ASN A 46 13.083 -1.768 -13.001 1.00 0.00 C ATOM 346 OD1 ASN A 46 14.131 -1.229 -12.665 1.00 0.00 O ATOM 347 ND2 ASN A 46 13.120 -2.894 -13.659 1.00 0.00 N ATOM 0 H ASN A 46 11.930 -2.720 -9.816 1.00 0.00 H new ATOM 0 HA ASN A 46 12.172 -0.722 -10.619 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.955 -1.724 -13.222 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.690 -0.145 -13.027 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.017 -3.320 -13.891 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.252 -3.348 -13.942 1.00 0.00 H new ATOM 348 N SER A 47 9.215 -0.648 -9.895 1.00 0.00 N ATOM 349 CA SER A 47 8.102 0.210 -9.409 1.00 0.00 C ATOM 350 C SER A 47 8.354 0.690 -7.939 1.00 0.00 C ATOM 351 O SER A 47 9.130 0.118 -7.170 1.00 0.00 O ATOM 352 CB SER A 47 6.788 -0.596 -9.554 1.00 0.00 C ATOM 353 OG SER A 47 5.656 0.250 -9.331 1.00 0.00 O ATOM 0 H SER A 47 9.230 -1.573 -9.466 1.00 0.00 H new ATOM 0 HA SER A 47 8.032 1.120 -10.005 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.731 -1.035 -10.550 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.779 -1.421 -8.841 1.00 0.00 H new ATOM 0 HG SER A 47 4.833 -0.273 -9.428 1.00 0.00 H new ATOM 354 N GLU A 48 7.676 1.770 -7.550 1.00 0.00 N ATOM 355 CA GLU A 48 7.762 2.357 -6.195 1.00 0.00 C ATOM 356 C GLU A 48 7.074 1.498 -5.085 1.00 0.00 C ATOM 357 O GLU A 48 5.907 1.107 -5.161 1.00 0.00 O ATOM 358 CB GLU A 48 7.117 3.776 -6.255 1.00 0.00 C ATOM 359 CG GLU A 48 8.112 4.912 -6.592 1.00 0.00 C ATOM 360 CD GLU A 48 8.948 5.372 -5.397 1.00 0.00 C ATOM 361 OE1 GLU A 48 8.561 6.177 -4.553 1.00 0.00 O ATOM 362 OE2 GLU A 48 10.161 4.766 -5.363 1.00 0.00 O ATOM 0 H GLU A 48 7.041 2.275 -8.168 1.00 0.00 H new ATOM 0 HA GLU A 48 8.814 2.399 -5.913 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.323 3.770 -7.002 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.649 3.991 -5.294 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.781 4.574 -7.383 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.557 5.764 -6.986 1.00 0.00 H new ATOM 363 N CYS A 49 7.860 1.259 -4.044 1.00 0.00 N ATOM 364 CA CYS A 49 7.431 0.591 -2.796 1.00 0.00 C ATOM 365 C CYS A 49 7.707 1.543 -1.590 1.00 0.00 C ATOM 366 O CYS A 49 8.821 2.017 -1.335 1.00 0.00 O ATOM 367 CB CYS A 49 8.156 -0.764 -2.647 1.00 0.00 C ATOM 368 SG CYS A 49 8.606 -1.099 -0.927 1.00 0.00 S ATOM 0 H CYS A 49 8.844 1.527 -4.032 1.00 0.00 H new ATOM 0 HA CYS A 49 6.362 0.381 -2.825 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.513 -1.563 -3.017 1.00 0.00 H new ATOM 0 HB3 CYS A 49 9.054 -0.766 -3.265 1.00 0.00 H new ATOM 369 N SER A 50 6.664 1.735 -0.789 1.00 0.00 N ATOM 370 CA SER A 50 6.726 2.492 0.484 1.00 0.00 C ATOM 371 C SER A 50 7.156 1.517 1.620 1.00 0.00 C ATOM 372 O SER A 50 6.351 0.754 2.165 1.00 0.00 O ATOM 373 CB SER A 50 5.354 3.173 0.700 1.00 0.00 C ATOM 374 OG SER A 50 5.372 4.065 1.816 1.00 0.00 O ATOM 0 H SER A 50 5.734 1.370 -0.996 1.00 0.00 H new ATOM 0 HA SER A 50 7.471 3.287 0.472 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.076 3.722 -0.199 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.591 2.411 0.857 1.00 0.00 H new ATOM 0 HG SER A 50 6.007 4.791 1.644 1.00 0.00 H new ATOM 375 N ALA A 51 8.461 1.525 1.945 1.00 0.00 N ATOM 376 CA ALA A 51 9.061 0.612 2.954 1.00 0.00 C ATOM 377 C ALA A 51 8.782 1.084 4.414 1.00 0.00 C ATOM 378 O ALA A 51 9.624 1.642 5.125 1.00 0.00 O ATOM 379 CB ALA A 51 10.556 0.606 2.629 1.00 0.00 C ATOM 0 H ALA A 51 9.135 2.161 1.520 1.00 0.00 H new ATOM 0 HA ALA A 51 8.629 -0.387 2.904 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.078 -0.046 3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.706 0.242 1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.951 1.619 2.713 1.00 0.00 H new ATOM 380 N PHE A 52 7.545 0.825 4.822 1.00 0.00 N ATOM 381 CA PHE A 52 6.996 1.342 6.096 1.00 0.00 C ATOM 382 C PHE A 52 6.018 0.429 6.873 1.00 0.00 C ATOM 383 O PHE A 52 5.277 -0.387 6.323 1.00 0.00 O ATOM 384 CB PHE A 52 6.194 2.641 5.723 1.00 0.00 C ATOM 385 CG PHE A 52 6.984 3.910 5.990 1.00 0.00 C ATOM 386 CD1 PHE A 52 7.056 4.418 7.289 1.00 0.00 C ATOM 387 CD2 PHE A 52 7.683 4.529 4.957 1.00 0.00 C ATOM 388 CE1 PHE A 52 7.804 5.562 7.545 1.00 0.00 C ATOM 389 CE2 PHE A 52 8.431 5.674 5.214 1.00 0.00 C ATOM 390 CZ PHE A 52 8.486 6.198 6.506 1.00 0.00 C ATOM 0 H PHE A 52 6.887 0.255 4.291 1.00 0.00 H new ATOM 0 HA PHE A 52 7.853 1.467 6.758 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.918 2.604 4.669 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.266 2.668 6.294 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.532 3.923 8.093 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.645 4.121 3.958 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.857 5.959 8.548 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.970 6.158 4.412 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.055 7.094 6.702 1.00 0.00 H new ATOM 391 N THR A 53 6.008 0.674 8.189 1.00 0.00 N ATOM 392 CA THR A 53 5.020 0.102 9.135 1.00 0.00 C ATOM 393 C THR A 53 4.840 1.155 10.269 1.00 0.00 C ATOM 394 O THR A 53 5.767 1.795 10.778 1.00 0.00 O ATOM 395 CB THR A 53 5.270 -1.301 9.736 1.00 0.00 C ATOM 396 OG1 THR A 53 6.448 -1.348 10.531 1.00 0.00 O ATOM 397 CG2 THR A 53 5.401 -2.374 8.664 1.00 0.00 C ATOM 0 H THR A 53 6.691 1.282 8.641 1.00 0.00 H new ATOM 0 HA THR A 53 4.129 -0.091 8.537 1.00 0.00 H new ATOM 0 HB THR A 53 4.395 -1.498 10.356 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.564 -2.252 10.891 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.576 -3.341 9.136 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.483 -2.417 8.078 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.238 -2.134 8.009 1.00 0.00 H new ATOM 398 N LEU A 54 3.574 1.342 10.604 1.00 0.00 N ATOM 399 CA LEU A 54 3.114 2.344 11.606 1.00 0.00 C ATOM 400 C LEU A 54 1.961 1.660 12.395 1.00 0.00 C ATOM 401 O LEU A 54 2.134 1.094 13.475 1.00 0.00 O ATOM 402 CB LEU A 54 2.907 3.709 10.842 1.00 0.00 C ATOM 403 CG LEU A 54 1.833 3.830 9.706 1.00 0.00 C ATOM 404 CD1 LEU A 54 0.580 4.605 10.158 1.00 0.00 C ATOM 405 CD2 LEU A 54 2.394 4.519 8.452 1.00 0.00 C ATOM 0 H LEU A 54 2.811 0.804 10.193 1.00 0.00 H new ATOM 0 HA LEU A 54 3.801 2.645 12.397 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.669 4.464 11.591 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.868 3.983 10.407 1.00 0.00 H new ATOM 0 HG LEU A 54 1.555 2.803 9.469 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.131 4.659 9.334 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.119 4.091 11.002 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.865 5.613 10.459 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.615 4.581 7.692 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.731 5.523 8.709 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.234 3.942 8.065 1.00 0.00 H new ATOM 406 N TYR A 55 0.797 1.672 11.775 1.00 0.00 N ATOM 407 CA TYR A 55 -0.433 0.975 12.205 1.00 0.00 C ATOM 408 C TYR A 55 -1.332 0.592 10.950 1.00 0.00 C ATOM 409 O TYR A 55 -2.374 -0.049 11.118 1.00 0.00 O ATOM 410 CB TYR A 55 -1.095 1.914 13.265 1.00 0.00 C ATOM 411 CG TYR A 55 -2.521 1.530 13.643 1.00 0.00 C ATOM 412 CD1 TYR A 55 -2.770 0.331 14.314 1.00 0.00 C ATOM 413 CD2 TYR A 55 -3.576 2.232 13.056 1.00 0.00 C ATOM 414 CE1 TYR A 55 -4.069 -0.162 14.392 1.00 0.00 C ATOM 415 CE2 TYR A 55 -4.874 1.742 13.143 1.00 0.00 C ATOM 416 CZ TYR A 55 -5.123 0.550 13.819 1.00 0.00 C ATOM 417 OH TYR A 55 -6.396 0.053 13.878 1.00 0.00 O ATOM 0 H TYR A 55 0.661 2.193 10.909 1.00 0.00 H new ATOM 0 HA TYR A 55 -0.251 0.007 12.673 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.481 1.915 14.166 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.096 2.933 12.879 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.956 -0.212 14.771 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.383 3.157 12.533 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.261 -1.097 14.897 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.689 2.285 12.687 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.010 0.673 13.432 1.00 0.00 H new ATOM 418 N GLY A 56 -0.962 0.925 9.694 1.00 0.00 N ATOM 419 CA GLY A 56 -1.863 0.687 8.549 1.00 0.00 C ATOM 420 C GLY A 56 -1.465 1.279 7.197 1.00 0.00 C ATOM 421 O GLY A 56 -0.956 0.542 6.362 1.00 0.00 O ATOM 0 H GLY A 56 -0.067 1.350 9.452 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.970 -0.391 8.425 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.847 1.077 8.810 1.00 0.00 H new ATOM 422 N VAL A 57 -1.764 2.550 6.916 1.00 0.00 N ATOM 423 CA VAL A 57 -1.865 3.024 5.494 1.00 0.00 C ATOM 424 C VAL A 57 -0.474 3.275 4.834 1.00 0.00 C ATOM 425 O VAL A 57 0.448 3.860 5.410 1.00 0.00 O ATOM 426 CB VAL A 57 -2.779 4.280 5.322 1.00 0.00 C ATOM 427 CG1 VAL A 57 -3.280 4.410 3.864 1.00 0.00 C ATOM 428 CG2 VAL A 57 -4.067 4.210 6.146 1.00 0.00 C ATOM 0 H VAL A 57 -1.940 3.268 7.619 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.342 2.197 4.967 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.149 5.110 5.641 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.913 5.292 3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.426 4.506 3.193 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.854 3.523 3.596 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.655 5.113 5.980 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.647 3.339 5.842 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.818 4.128 7.204 1.00 0.00 H new ATOM 429 N TYR A 58 -0.374 2.820 3.582 1.00 0.00 N ATOM 430 CA TYR A 58 0.880 2.820 2.807 1.00 0.00 C ATOM 431 C TYR A 58 0.692 3.587 1.471 1.00 0.00 C ATOM 432 O TYR A 58 -0.238 3.344 0.703 1.00 0.00 O ATOM 433 CB TYR A 58 1.254 1.323 2.600 1.00 0.00 C ATOM 434 CG TYR A 58 1.470 0.457 3.869 1.00 0.00 C ATOM 435 CD1 TYR A 58 2.144 0.973 4.984 1.00 0.00 C ATOM 436 CD2 TYR A 58 0.876 -0.806 3.957 1.00 0.00 C ATOM 437 CE1 TYR A 58 2.255 0.225 6.149 1.00 0.00 C ATOM 438 CE2 TYR A 58 1.031 -1.576 5.113 1.00 0.00 C ATOM 439 CZ TYR A 58 1.725 -1.058 6.206 1.00 0.00 C ATOM 440 OH TYR A 58 1.824 -1.779 7.366 1.00 0.00 O ATOM 0 H TYR A 58 -1.167 2.436 3.068 1.00 0.00 H new ATOM 0 HA TYR A 58 1.689 3.337 3.324 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.467 0.859 2.006 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.167 1.283 2.006 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.580 1.960 4.937 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.296 -1.187 3.130 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.754 0.641 7.012 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.614 -2.571 5.160 1.00 0.00 H new ATOM 0 HH TYR A 58 1.404 -2.656 7.243 1.00 0.00 H new ATOM 441 N TYR A 59 1.602 4.510 1.169 1.00 0.00 N ATOM 442 CA TYR A 59 1.529 5.349 -0.074 1.00 0.00 C ATOM 443 C TYR A 59 1.615 4.543 -1.423 1.00 0.00 C ATOM 444 O TYR A 59 0.840 4.793 -2.347 1.00 0.00 O ATOM 445 CB TYR A 59 2.605 6.461 0.098 1.00 0.00 C ATOM 446 CG TYR A 59 2.136 7.704 0.883 1.00 0.00 C ATOM 447 CD1 TYR A 59 1.864 7.634 2.256 1.00 0.00 C ATOM 448 CD2 TYR A 59 1.949 8.920 0.214 1.00 0.00 C ATOM 449 CE1 TYR A 59 1.369 8.744 2.937 1.00 0.00 C ATOM 450 CE2 TYR A 59 1.477 10.034 0.904 1.00 0.00 C ATOM 451 CZ TYR A 59 1.168 9.941 2.254 1.00 0.00 C ATOM 452 OH TYR A 59 0.636 11.022 2.898 1.00 0.00 O ATOM 0 H TYR A 59 2.411 4.713 1.757 1.00 0.00 H new ATOM 0 HA TYR A 59 0.539 5.794 -0.175 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.470 6.034 0.606 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.940 6.778 -0.890 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.040 6.712 2.790 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.171 8.994 -0.840 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.142 8.677 3.991 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.351 10.974 0.387 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.338 10.925 2.951 1.00 0.00 H new ATOM 453 N LYS A 60 2.532 3.572 -1.510 1.00 0.00 N ATOM 454 CA LYS A 60 2.654 2.631 -2.648 1.00 0.00 C ATOM 455 C LYS A 60 2.957 1.262 -1.959 1.00 0.00 C ATOM 456 O LYS A 60 4.044 1.090 -1.404 1.00 0.00 O ATOM 457 CB LYS A 60 3.775 3.042 -3.648 1.00 0.00 C ATOM 458 CG LYS A 60 3.650 4.411 -4.362 1.00 0.00 C ATOM 459 CD LYS A 60 4.420 5.553 -3.666 1.00 0.00 C ATOM 460 CE LYS A 60 4.228 6.891 -4.394 1.00 0.00 C ATOM 461 NZ LYS A 60 5.002 7.949 -3.717 1.00 0.00 N ATOM 0 H LYS A 60 3.227 3.409 -0.781 1.00 0.00 H new ATOM 0 HA LYS A 60 1.754 2.606 -3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.722 3.032 -3.109 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.837 2.270 -4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.014 4.311 -5.384 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.596 4.682 -4.424 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.079 5.647 -2.635 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.481 5.307 -3.629 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.551 6.800 -5.431 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.171 7.157 -4.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.373 8.744 -3.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.419 7.569 -2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.760 8.281 -4.347 1.00 0.00 H new ATOM 462 N CYS A 61 2.017 0.305 -1.901 1.00 0.00 N ATOM 463 CA CYS A 61 2.219 -0.977 -1.152 1.00 0.00 C ATOM 464 C CYS A 61 3.565 -1.776 -1.435 1.00 0.00 C ATOM 465 O CYS A 61 4.082 -1.707 -2.557 1.00 0.00 O ATOM 466 CB CYS A 61 0.966 -1.825 -1.437 1.00 0.00 C ATOM 467 SG CYS A 61 -0.454 -1.167 -0.543 1.00 0.00 S ATOM 0 H CYS A 61 1.108 0.380 -2.357 1.00 0.00 H new ATOM 0 HA CYS A 61 2.344 -0.735 -0.097 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.759 -1.831 -2.507 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.143 -2.859 -1.140 1.00 0.00 H new ATOM 468 N PRO A 62 4.175 -2.520 -0.455 1.00 0.00 N ATOM 469 CA PRO A 62 5.506 -3.177 -0.644 1.00 0.00 C ATOM 470 C PRO A 62 5.643 -4.250 -1.780 1.00 0.00 C ATOM 471 O PRO A 62 4.681 -4.624 -2.447 1.00 0.00 O ATOM 472 CB PRO A 62 5.790 -3.707 0.783 1.00 0.00 C ATOM 473 CG PRO A 62 4.426 -3.863 1.454 1.00 0.00 C ATOM 474 CD PRO A 62 3.618 -2.695 0.903 1.00 0.00 C ATOM 0 HA PRO A 62 6.245 -2.475 -1.031 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.318 -4.660 0.747 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.421 -3.013 1.338 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.966 -4.820 1.208 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.506 -3.818 2.540 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.551 -2.918 0.877 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.741 -1.797 1.509 1.00 0.00 H new ATOM 475 N CYS A 63 6.880 -4.704 -2.029 1.00 0.00 N ATOM 476 CA CYS A 63 7.204 -5.637 -3.138 1.00 0.00 C ATOM 477 C CYS A 63 6.725 -7.119 -2.920 1.00 0.00 C ATOM 478 O CYS A 63 6.446 -7.556 -1.798 1.00 0.00 O ATOM 479 CB CYS A 63 8.744 -5.554 -3.278 1.00 0.00 C ATOM 480 SG CYS A 63 9.358 -3.858 -3.422 1.00 0.00 S ATOM 0 H CYS A 63 7.691 -4.439 -1.471 1.00 0.00 H new ATOM 0 HA CYS A 63 6.669 -5.341 -4.040 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.207 -6.029 -2.413 1.00 0.00 H new ATOM 0 HB3 CYS A 63 9.053 -6.121 -4.156 1.00 0.00 H new ATOM 481 N GLU A 64 6.646 -7.901 -4.011 1.00 0.00 N ATOM 482 CA GLU A 64 6.235 -9.334 -3.956 1.00 0.00 C ATOM 483 C GLU A 64 7.184 -10.279 -3.123 1.00 0.00 C ATOM 484 O GLU A 64 8.369 -9.995 -2.935 1.00 0.00 O ATOM 485 CB GLU A 64 6.047 -9.795 -5.432 1.00 0.00 C ATOM 486 CG GLU A 64 7.314 -9.955 -6.325 1.00 0.00 C ATOM 487 CD GLU A 64 7.120 -10.410 -7.775 1.00 0.00 C ATOM 488 OE1 GLU A 64 5.943 -11.057 -7.995 1.00 0.00 O ATOM 489 OE2 GLU A 64 7.944 -10.200 -8.658 1.00 0.00 O ATOM 0 H GLU A 64 6.861 -7.571 -4.952 1.00 0.00 H new ATOM 0 HA GLU A 64 5.304 -9.415 -3.395 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.528 -10.753 -5.417 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.384 -9.081 -5.921 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.833 -8.997 -6.343 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.978 -10.669 -5.837 1.00 0.00 H new ATOM 490 N ARG A 65 6.663 -11.422 -2.633 1.00 0.00 N ATOM 491 CA ARG A 65 7.417 -12.353 -1.735 1.00 0.00 C ATOM 492 C ARG A 65 8.707 -12.961 -2.402 1.00 0.00 C ATOM 493 O ARG A 65 8.646 -13.794 -3.311 1.00 0.00 O ATOM 494 CB ARG A 65 6.408 -13.435 -1.261 1.00 0.00 C ATOM 495 CG ARG A 65 6.872 -14.356 -0.104 1.00 0.00 C ATOM 496 CD ARG A 65 7.037 -13.638 1.249 1.00 0.00 C ATOM 497 NE ARG A 65 7.322 -14.635 2.311 1.00 0.00 N ATOM 498 CZ ARG A 65 7.509 -14.349 3.594 1.00 0.00 C ATOM 499 NH1 ARG A 65 7.502 -13.137 4.087 1.00 0.00 N ATOM 500 NH2 ARG A 65 7.714 -15.334 4.412 1.00 0.00 N ATOM 0 H ARG A 65 5.714 -11.734 -2.840 1.00 0.00 H new ATOM 0 HA ARG A 65 7.814 -11.805 -0.881 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.491 -12.934 -0.951 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.155 -14.062 -2.116 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.151 -15.165 0.013 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.823 -14.813 -0.378 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.848 -12.912 1.190 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.130 -13.084 1.491 1.00 0.00 H new ATOM 0 HE ARG A 65 7.379 -15.615 2.034 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.346 -12.338 3.473 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.653 -12.992 5.085 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.728 -16.292 4.063 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.861 -15.150 5.404 1.00 0.00 H new ATOM 501 N GLY A 66 9.867 -12.508 -1.912 1.00 0.00 N ATOM 502 CA GLY A 66 11.200 -12.840 -2.514 1.00 0.00 C ATOM 503 C GLY A 66 11.947 -11.677 -3.234 1.00 0.00 C ATOM 504 O GLY A 66 13.173 -11.709 -3.351 1.00 0.00 O ATOM 0 H GLY A 66 9.928 -11.904 -1.093 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.846 -13.222 -1.723 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.059 -13.650 -3.230 1.00 0.00 H new ATOM 505 N LEU A 67 11.219 -10.661 -3.719 1.00 0.00 N ATOM 506 CA LEU A 67 11.780 -9.444 -4.363 1.00 0.00 C ATOM 507 C LEU A 67 11.833 -8.281 -3.304 1.00 0.00 C ATOM 508 O LEU A 67 10.887 -8.073 -2.537 1.00 0.00 O ATOM 509 CB LEU A 67 10.870 -9.200 -5.600 1.00 0.00 C ATOM 510 CG LEU A 67 11.464 -8.293 -6.704 1.00 0.00 C ATOM 511 CD1 LEU A 67 11.060 -8.762 -8.108 1.00 0.00 C ATOM 512 CD2 LEU A 67 11.038 -6.833 -6.524 1.00 0.00 C ATOM 0 H LEU A 67 10.200 -10.653 -3.678 1.00 0.00 H new ATOM 0 HA LEU A 67 12.811 -9.530 -4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.624 -10.165 -6.042 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.934 -8.758 -5.258 1.00 0.00 H new ATOM 0 HG LEU A 67 12.547 -8.365 -6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.498 -8.098 -8.853 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.421 -9.778 -8.270 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.974 -8.744 -8.199 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.474 -6.226 -7.318 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.951 -6.763 -6.569 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.385 -6.469 -5.557 1.00 0.00 H new ATOM 513 N THR A 68 12.933 -7.511 -3.249 1.00 0.00 N ATOM 514 CA THR A 68 13.154 -6.495 -2.172 1.00 0.00 C ATOM 515 C THR A 68 12.796 -5.014 -2.515 1.00 0.00 C ATOM 516 O THR A 68 12.741 -4.593 -3.667 1.00 0.00 O ATOM 517 CB THR A 68 14.659 -6.614 -1.732 1.00 0.00 C ATOM 518 OG1 THR A 68 14.737 -6.444 -0.323 1.00 0.00 O ATOM 519 CG2 THR A 68 15.656 -5.595 -2.309 1.00 0.00 C ATOM 0 H THR A 68 13.690 -7.563 -3.931 1.00 0.00 H new ATOM 0 HA THR A 68 12.451 -6.730 -1.373 1.00 0.00 H new ATOM 0 HB THR A 68 14.949 -7.592 -2.116 1.00 0.00 H new ATOM 0 HG1 THR A 68 15.671 -6.518 -0.036 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.653 -5.800 -1.918 1.00 0.00 H new ATOM 0 HG22 THR A 68 15.669 -5.674 -3.396 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.354 -4.588 -2.022 1.00 0.00 H new ATOM 520 N CYS A 69 12.583 -4.235 -1.455 1.00 0.00 N ATOM 521 CA CYS A 69 12.405 -2.763 -1.520 1.00 0.00 C ATOM 522 C CYS A 69 13.784 -2.059 -1.242 1.00 0.00 C ATOM 523 O CYS A 69 14.430 -2.416 -0.248 1.00 0.00 O ATOM 524 CB CYS A 69 11.308 -2.477 -0.474 1.00 0.00 C ATOM 525 SG CYS A 69 10.578 -0.852 -0.689 1.00 0.00 S ATOM 0 H CYS A 69 12.526 -4.604 -0.506 1.00 0.00 H new ATOM 0 HA CYS A 69 12.097 -2.375 -2.491 1.00 0.00 H new ATOM 0 HB2 CYS A 69 10.530 -3.236 -0.549 1.00 0.00 H new ATOM 0 HB3 CYS A 69 11.733 -2.554 0.527 1.00 0.00 H new ATOM 526 N GLU A 70 14.252 -1.063 -2.025 1.00 0.00 N ATOM 527 CA GLU A 70 15.543 -0.358 -1.703 1.00 0.00 C ATOM 528 C GLU A 70 15.308 0.969 -0.877 1.00 0.00 C ATOM 529 O GLU A 70 14.294 1.093 -0.180 1.00 0.00 O ATOM 530 CB GLU A 70 16.419 -0.316 -3.000 1.00 0.00 C ATOM 531 CG GLU A 70 16.033 0.584 -4.206 1.00 0.00 C ATOM 532 CD GLU A 70 16.436 2.056 -4.158 1.00 0.00 C ATOM 533 OE1 GLU A 70 17.443 2.477 -3.599 1.00 0.00 O ATOM 534 OE2 GLU A 70 15.552 2.850 -4.817 1.00 0.00 O ATOM 0 H GLU A 70 13.782 -0.725 -2.865 1.00 0.00 H new ATOM 0 HA GLU A 70 16.157 -0.906 -0.988 1.00 0.00 H new ATOM 0 HB2 GLU A 70 17.424 -0.025 -2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.483 -1.338 -3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 70 16.471 0.147 -5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.950 0.538 -4.325 1.00 0.00 H new ATOM 535 N GLY A 71 16.245 1.935 -0.857 1.00 0.00 N ATOM 536 CA GLY A 71 16.137 3.144 0.011 1.00 0.00 C ATOM 537 C GLY A 71 16.407 4.512 -0.636 1.00 0.00 C ATOM 538 O GLY A 71 17.490 5.073 -0.467 1.00 0.00 O ATOM 0 H GLY A 71 17.089 1.911 -1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 71 15.133 3.165 0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 71 16.831 3.023 0.843 1.00 0.00 H new ATOM 539 N ASP A 72 15.395 5.100 -1.290 1.00 0.00 N ATOM 540 CA ASP A 72 15.449 6.524 -1.730 1.00 0.00 C ATOM 541 C ASP A 72 14.942 7.420 -0.548 1.00 0.00 C ATOM 542 O ASP A 72 13.737 7.582 -0.339 1.00 0.00 O ATOM 543 CB ASP A 72 14.590 6.742 -3.002 1.00 0.00 C ATOM 544 CG ASP A 72 14.862 5.859 -4.218 1.00 0.00 C ATOM 545 OD1 ASP A 72 15.983 5.533 -4.594 1.00 0.00 O ATOM 546 OD2 ASP A 72 13.711 5.442 -4.815 1.00 0.00 O ATOM 0 H ASP A 72 14.526 4.623 -1.531 1.00 0.00 H new ATOM 0 HA ASP A 72 16.473 6.796 -1.986 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.544 6.612 -2.724 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.711 7.780 -3.311 1.00 0.00 H new ATOM 547 N LYS A 73 15.867 7.968 0.249 1.00 0.00 N ATOM 548 CA LYS A 73 15.519 8.736 1.478 1.00 0.00 C ATOM 549 C LYS A 73 14.871 10.147 1.236 1.00 0.00 C ATOM 550 O LYS A 73 15.359 10.965 0.452 1.00 0.00 O ATOM 551 CB LYS A 73 16.800 8.813 2.363 1.00 0.00 C ATOM 552 CG LYS A 73 18.028 9.590 1.817 1.00 0.00 C ATOM 553 CD LYS A 73 19.224 9.550 2.788 1.00 0.00 C ATOM 554 CE LYS A 73 20.473 10.210 2.186 1.00 0.00 C ATOM 555 NZ LYS A 73 21.571 10.179 3.174 1.00 0.00 N ATOM 0 H LYS A 73 16.870 7.900 0.074 1.00 0.00 H new ATOM 0 HA LYS A 73 14.720 8.199 1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.519 9.263 3.315 1.00 0.00 H new ATOM 0 HB3 LYS A 73 17.120 7.793 2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 73 18.327 9.166 0.858 1.00 0.00 H new ATOM 0 HG3 LYS A 73 17.747 10.627 1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 73 18.956 10.057 3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 73 19.449 8.515 3.045 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.772 9.687 1.278 1.00 0.00 H new ATOM 0 HE3 LYS A 73 20.253 11.239 1.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 22.417 10.626 2.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 21.283 10.697 4.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 21.786 9.192 3.423 1.00 0.00 H new ATOM 556 N SER A 74 13.764 10.434 1.944 1.00 0.00 N ATOM 557 CA SER A 74 13.105 11.775 1.915 1.00 0.00 C ATOM 558 C SER A 74 13.907 12.896 2.669 1.00 0.00 C ATOM 559 O SER A 74 14.159 13.950 2.080 1.00 0.00 O ATOM 560 CB SER A 74 11.661 11.540 2.429 1.00 0.00 C ATOM 561 OG SER A 74 10.879 12.735 2.373 1.00 0.00 O ATOM 0 H SER A 74 13.297 9.759 2.549 1.00 0.00 H new ATOM 0 HA SER A 74 13.080 12.183 0.904 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.183 10.764 1.831 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.695 11.175 3.456 1.00 0.00 H new ATOM 0 HG SER A 74 9.972 12.519 2.071 1.00 0.00 H new ATOM 562 N LEU A 75 14.315 12.673 3.939 1.00 0.00 N ATOM 563 CA LEU A 75 15.196 13.577 4.754 1.00 0.00 C ATOM 564 C LEU A 75 14.528 14.926 5.197 1.00 0.00 C ATOM 565 O LEU A 75 14.325 15.150 6.391 1.00 0.00 O ATOM 566 CB LEU A 75 16.596 13.703 4.057 1.00 0.00 C ATOM 567 CG LEU A 75 17.810 14.102 4.940 1.00 0.00 C ATOM 568 CD1 LEU A 75 19.123 13.770 4.207 1.00 0.00 C ATOM 569 CD2 LEU A 75 17.832 15.596 5.307 1.00 0.00 C ATOM 0 H LEU A 75 14.038 11.836 4.452 1.00 0.00 H new ATOM 0 HA LEU A 75 15.361 13.110 5.725 1.00 0.00 H new ATOM 0 HB2 LEU A 75 16.824 12.746 3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 75 16.507 14.438 3.257 1.00 0.00 H new ATOM 0 HG LEU A 75 17.712 13.531 5.863 1.00 0.00 H new ATOM 0 HD11 LEU A 75 19.970 14.052 4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 75 19.164 12.700 4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 75 19.165 14.322 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 75 18.705 15.806 5.924 1.00 0.00 H new ATOM 0 HD22 LEU A 75 17.879 16.194 4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 75 16.927 15.848 5.861 1.00 0.00 H new ATOM 570 N VAL A 76 14.211 15.814 4.249 1.00 0.00 N ATOM 571 CA VAL A 76 13.633 17.167 4.530 1.00 0.00 C ATOM 572 C VAL A 76 12.095 17.193 4.851 1.00 0.00 C ATOM 573 O VAL A 76 11.682 17.833 5.821 1.00 0.00 O ATOM 574 CB VAL A 76 14.090 18.120 3.367 1.00 0.00 C ATOM 575 CG1 VAL A 76 13.449 17.889 1.976 1.00 0.00 C ATOM 576 CG2 VAL A 76 13.922 19.611 3.732 1.00 0.00 C ATOM 0 H VAL A 76 14.342 15.630 3.254 1.00 0.00 H new ATOM 0 HA VAL A 76 14.029 17.534 5.477 1.00 0.00 H new ATOM 0 HB VAL A 76 15.141 17.849 3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.850 18.612 1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.676 16.879 1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.368 18.013 2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.251 20.229 2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.873 19.817 3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.523 19.840 4.612 1.00 0.00 H new ATOM 577 N GLY A 77 11.264 16.515 4.047 1.00 0.00 N ATOM 578 CA GLY A 77 9.795 16.447 4.271 1.00 0.00 C ATOM 579 C GLY A 77 8.947 17.540 3.587 1.00 0.00 C ATOM 580 O GLY A 77 8.721 18.608 4.160 1.00 0.00 O ATOM 0 H GLY A 77 11.579 15.998 3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.441 15.475 3.928 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.610 16.492 5.344 1.00 0.00 H new ATOM 581 N SER A 78 8.396 17.251 2.397 1.00 0.00 N ATOM 582 CA SER A 78 7.312 18.084 1.790 1.00 0.00 C ATOM 583 C SER A 78 5.950 17.746 2.492 1.00 0.00 C ATOM 584 O SER A 78 5.198 16.887 2.020 1.00 0.00 O ATOM 585 CB SER A 78 7.311 17.812 0.263 1.00 0.00 C ATOM 586 OG SER A 78 6.977 16.453 -0.048 1.00 0.00 O ATOM 0 H SER A 78 8.673 16.452 1.827 1.00 0.00 H new ATOM 0 HA SER A 78 7.474 19.152 1.938 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.598 18.479 -0.222 1.00 0.00 H new ATOM 0 HB3 SER A 78 8.294 18.045 -0.146 1.00 0.00 H new ATOM 0 HG SER A 78 6.275 16.141 0.561 1.00 0.00 H new ATOM 587 N ILE A 79 5.695 18.397 3.648 1.00 0.00 N ATOM 588 CA ILE A 79 4.553 18.124 4.597 1.00 0.00 C ATOM 589 C ILE A 79 4.615 16.688 5.262 1.00 0.00 C ATOM 590 O ILE A 79 4.501 16.568 6.483 1.00 0.00 O ATOM 591 CB ILE A 79 3.093 18.563 4.178 1.00 0.00 C ATOM 592 CG1 ILE A 79 2.426 17.863 2.951 1.00 0.00 C ATOM 593 CG2 ILE A 79 2.999 20.109 4.083 1.00 0.00 C ATOM 594 CD1 ILE A 79 2.545 18.500 1.549 1.00 0.00 C ATOM 0 H ILE A 79 6.291 19.158 3.973 1.00 0.00 H new ATOM 0 HA ILE A 79 4.763 18.859 5.374 1.00 0.00 H new ATOM 0 HB ILE A 79 2.480 18.183 4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.838 16.856 2.887 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.364 17.760 3.173 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.988 20.395 3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.237 20.548 5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.706 20.471 3.337 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.023 17.878 0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.100 19.495 1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.597 18.577 1.272 1.00 0.00 H new ATOM 595 N THR A 80 4.772 15.603 4.492 1.00 0.00 N ATOM 596 CA THR A 80 4.978 14.216 4.965 1.00 0.00 C ATOM 597 C THR A 80 6.345 13.664 4.390 1.00 0.00 C ATOM 598 O THR A 80 7.029 14.278 3.560 1.00 0.00 O ATOM 599 CB THR A 80 3.680 13.488 4.491 1.00 0.00 C ATOM 600 OG1 THR A 80 2.548 14.015 5.181 1.00 0.00 O ATOM 601 CG2 THR A 80 3.625 11.992 4.749 1.00 0.00 C ATOM 0 H THR A 80 4.759 15.665 3.474 1.00 0.00 H new ATOM 0 HA THR A 80 5.094 14.083 6.041 1.00 0.00 H new ATOM 0 HB THR A 80 3.678 13.656 3.414 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.737 13.556 4.878 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.680 11.593 4.379 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.452 11.503 4.233 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.703 11.804 5.820 1.00 0.00 H new ATOM 602 N ASN A 81 6.760 12.469 4.838 1.00 0.00 N ATOM 603 CA ASN A 81 7.966 11.757 4.309 1.00 0.00 C ATOM 604 C ASN A 81 7.633 11.047 2.939 1.00 0.00 C ATOM 605 O ASN A 81 7.474 9.827 2.871 1.00 0.00 O ATOM 606 CB ASN A 81 8.386 10.808 5.472 1.00 0.00 C ATOM 607 CG ASN A 81 9.763 10.161 5.345 1.00 0.00 C ATOM 608 OD1 ASN A 81 9.962 9.153 4.681 1.00 0.00 O ATOM 609 ND2 ASN A 81 10.765 10.683 6.005 1.00 0.00 N ATOM 0 H ASN A 81 6.279 11.957 5.577 1.00 0.00 H new ATOM 0 HA ASN A 81 8.801 12.408 4.050 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.357 11.373 6.404 1.00 0.00 H new ATOM 0 HB3 ASN A 81 7.641 10.017 5.555 1.00 0.00 H new ATOM 0 HD21 ASN A 81 11.687 10.250 5.959 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.624 11.523 6.566 1.00 0.00 H new ATOM 610 N THR A 82 7.519 11.827 1.848 1.00 0.00 N ATOM 611 CA THR A 82 7.064 11.311 0.513 1.00 0.00 C ATOM 612 C THR A 82 8.178 11.263 -0.576 1.00 0.00 C ATOM 613 O THR A 82 8.259 12.029 -1.540 1.00 0.00 O ATOM 614 CB THR A 82 5.814 12.078 0.000 1.00 0.00 C ATOM 615 OG1 THR A 82 6.040 13.484 -0.074 1.00 0.00 O ATOM 616 CG2 THR A 82 4.586 11.841 0.879 1.00 0.00 C ATOM 0 H THR A 82 7.734 12.824 1.850 1.00 0.00 H new ATOM 0 HA THR A 82 6.789 10.272 0.693 1.00 0.00 H new ATOM 0 HB THR A 82 5.627 11.683 -0.999 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.852 13.658 -0.594 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.739 12.398 0.479 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.347 10.778 0.891 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.795 12.178 1.894 1.00 0.00 H new ATOM 617 N ASN A 83 9.029 10.285 -0.340 1.00 0.00 N ATOM 618 CA ASN A 83 10.123 9.838 -1.249 1.00 0.00 C ATOM 619 C ASN A 83 10.490 8.414 -0.732 1.00 0.00 C ATOM 620 O ASN A 83 10.943 8.264 0.410 1.00 0.00 O ATOM 621 CB ASN A 83 11.343 10.794 -1.287 1.00 0.00 C ATOM 622 CG ASN A 83 12.395 10.466 -2.353 1.00 0.00 C ATOM 623 OD1 ASN A 83 12.133 9.862 -3.387 1.00 0.00 O ATOM 624 ND2 ASN A 83 13.626 10.859 -2.159 1.00 0.00 N ATOM 0 H ASN A 83 8.995 9.741 0.522 1.00 0.00 H new ATOM 0 HA ASN A 83 9.796 9.835 -2.289 1.00 0.00 H new ATOM 0 HB2 ASN A 83 10.984 11.809 -1.454 1.00 0.00 H new ATOM 0 HB3 ASN A 83 11.824 10.783 -0.309 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.341 10.661 -2.859 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.872 11.364 -1.307 1.00 0.00 H new ATOM 625 N PHE A 84 10.276 7.378 -1.555 1.00 0.00 N ATOM 626 CA PHE A 84 10.453 5.966 -1.110 1.00 0.00 C ATOM 627 C PHE A 84 11.320 5.121 -2.102 1.00 0.00 C ATOM 628 O PHE A 84 11.525 5.482 -3.268 1.00 0.00 O ATOM 629 CB PHE A 84 9.042 5.310 -0.950 1.00 0.00 C ATOM 630 CG PHE A 84 7.938 6.060 -0.176 1.00 0.00 C ATOM 631 CD1 PHE A 84 7.943 6.140 1.220 1.00 0.00 C ATOM 632 CD2 PHE A 84 6.929 6.707 -0.896 1.00 0.00 C ATOM 633 CE1 PHE A 84 6.945 6.853 1.884 1.00 0.00 C ATOM 634 CE2 PHE A 84 5.943 7.429 -0.232 1.00 0.00 C ATOM 635 CZ PHE A 84 5.945 7.493 1.157 1.00 0.00 C ATOM 0 H PHE A 84 9.982 7.477 -2.527 1.00 0.00 H new ATOM 0 HA PHE A 84 10.987 5.980 -0.160 1.00 0.00 H new ATOM 0 HB2 PHE A 84 8.660 5.109 -1.951 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.184 4.345 -0.463 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.721 5.649 1.785 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.915 6.646 -1.974 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.948 6.909 2.963 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.176 7.940 -0.795 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.170 8.040 1.673 1.00 0.00 H new ATOM 636 N GLY A 85 11.814 3.958 -1.650 1.00 0.00 N ATOM 637 CA GLY A 85 12.574 3.012 -2.515 1.00 0.00 C ATOM 638 C GLY A 85 11.836 2.326 -3.690 1.00 0.00 C ATOM 639 O GLY A 85 10.610 2.238 -3.743 1.00 0.00 O ATOM 0 H GLY A 85 11.705 3.640 -0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.425 3.553 -2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 85 12.976 2.228 -1.874 1.00 0.00 H new ATOM 640 N ILE A 86 12.630 1.804 -4.622 1.00 0.00 N ATOM 641 CA ILE A 86 12.123 1.038 -5.800 1.00 0.00 C ATOM 642 C ILE A 86 12.237 -0.508 -5.510 1.00 0.00 C ATOM 643 O ILE A 86 13.146 -0.992 -4.825 1.00 0.00 O ATOM 644 CB ILE A 86 12.930 1.469 -7.087 1.00 0.00 C ATOM 645 CG1 ILE A 86 12.866 2.990 -7.442 1.00 0.00 C ATOM 646 CG2 ILE A 86 12.482 0.688 -8.350 1.00 0.00 C ATOM 647 CD1 ILE A 86 11.534 3.510 -8.019 1.00 0.00 C ATOM 0 H ILE A 86 13.646 1.890 -4.598 1.00 0.00 H new ATOM 0 HA ILE A 86 11.071 1.260 -5.979 1.00 0.00 H new ATOM 0 HB ILE A 86 13.957 1.229 -6.811 1.00 0.00 H new ATOM 0 HG12 ILE A 86 13.092 3.560 -6.541 1.00 0.00 H new ATOM 0 HG13 ILE A 86 13.656 3.205 -8.162 1.00 0.00 H new ATOM 0 HG21 ILE A 86 13.066 1.019 -9.209 1.00 0.00 H new ATOM 0 HG22 ILE A 86 12.641 -0.379 -8.193 1.00 0.00 H new ATOM 0 HG23 ILE A 86 11.424 0.874 -8.537 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.618 4.577 -8.223 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.307 2.980 -8.944 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.734 3.340 -7.298 1.00 0.00 H new ATOM 648 N CYS A 87 11.315 -1.299 -6.066 1.00 0.00 N ATOM 649 CA CYS A 87 11.364 -2.781 -5.994 1.00 0.00 C ATOM 650 C CYS A 87 12.481 -3.407 -6.904 1.00 0.00 C ATOM 651 O CYS A 87 12.508 -3.135 -8.107 1.00 0.00 O ATOM 652 CB CYS A 87 9.961 -3.242 -6.425 1.00 0.00 C ATOM 653 SG CYS A 87 8.746 -2.987 -5.120 1.00 0.00 S ATOM 0 H CYS A 87 10.510 -0.941 -6.580 1.00 0.00 H new ATOM 0 HA CYS A 87 11.623 -3.113 -4.989 1.00 0.00 H new ATOM 0 HB2 CYS A 87 9.657 -2.695 -7.318 1.00 0.00 H new ATOM 0 HB3 CYS A 87 9.991 -4.298 -6.693 1.00 0.00 H new ATOM 654 N HIS A 88 13.401 -4.238 -6.375 1.00 0.00 N ATOM 655 CA HIS A 88 14.435 -4.924 -7.196 1.00 0.00 C ATOM 656 C HIS A 88 14.669 -6.390 -6.716 1.00 0.00 C ATOM 657 O HIS A 88 14.539 -6.746 -5.541 1.00 0.00 O ATOM 658 CB HIS A 88 15.759 -4.129 -7.145 1.00 0.00 C ATOM 659 CG HIS A 88 15.808 -2.893 -8.043 1.00 0.00 C ATOM 660 ND1 HIS A 88 16.126 -2.975 -9.392 1.00 0.00 N ATOM 661 CD2 HIS A 88 15.412 -1.588 -7.706 1.00 0.00 C ATOM 662 CE1 HIS A 88 15.896 -1.672 -9.755 1.00 0.00 C ATOM 663 NE2 HIS A 88 15.506 -0.762 -8.812 1.00 0.00 N ATOM 0 H HIS A 88 13.454 -4.455 -5.380 1.00 0.00 H new ATOM 0 HA HIS A 88 14.076 -4.965 -8.224 1.00 0.00 H new ATOM 0 HB2 HIS A 88 15.939 -3.819 -6.116 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.576 -4.795 -7.425 1.00 0.00 H new ATOM 0 HD2 HIS A 88 15.082 -1.275 -6.726 1.00 0.00 H new ATOM 0 HE1 HIS A 88 16.023 -1.366 -10.783 1.00 0.00 H new ATOM 0 HE2 HIS A 88 15.334 0.240 -8.899 1.00 0.00 H new ATOM 664 N ASN A 89 15.092 -7.242 -7.656 1.00 0.00 N ATOM 665 CA ASN A 89 15.426 -8.658 -7.376 1.00 0.00 C ATOM 666 C ASN A 89 16.967 -8.804 -7.171 1.00 0.00 C ATOM 667 O ASN A 89 17.778 -8.481 -8.043 1.00 0.00 O ATOM 668 CB ASN A 89 14.918 -9.472 -8.581 1.00 0.00 C ATOM 669 CG ASN A 89 14.814 -10.973 -8.321 1.00 0.00 C ATOM 670 OD1 ASN A 89 13.884 -11.451 -7.687 1.00 0.00 O ATOM 671 ND2 ASN A 89 15.760 -11.759 -8.766 1.00 0.00 N ATOM 0 H ASN A 89 15.215 -6.978 -8.633 1.00 0.00 H new ATOM 0 HA ASN A 89 14.956 -9.021 -6.462 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.937 -9.096 -8.872 1.00 0.00 H new ATOM 0 HB3 ASN A 89 15.587 -9.306 -9.426 1.00 0.00 H new ATOM 0 HD21 ASN A 89 15.718 -12.762 -8.583 1.00 0.00 H new ATOM 0 HD22 ASN A 89 16.540 -11.369 -9.296 1.00 0.00 H new ATOM 672 N VAL A 90 17.340 -9.323 -6.006 1.00 0.00 N ATOM 673 CA VAL A 90 18.776 -9.432 -5.577 1.00 0.00 C ATOM 674 C VAL A 90 19.529 -10.695 -6.145 1.00 0.00 C ATOM 675 O VAL A 90 20.727 -10.619 -6.428 1.00 0.00 O ATOM 676 CB VAL A 90 18.835 -9.305 -4.008 1.00 0.00 C ATOM 677 CG1 VAL A 90 20.276 -9.315 -3.446 1.00 0.00 C ATOM 678 CG2 VAL A 90 18.183 -8.014 -3.442 1.00 0.00 C ATOM 0 H VAL A 90 16.679 -9.685 -5.319 1.00 0.00 H new ATOM 0 HA VAL A 90 19.335 -8.609 -6.022 1.00 0.00 H new ATOM 0 HB VAL A 90 18.274 -10.184 -3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 90 20.244 -9.224 -2.360 1.00 0.00 H new ATOM 0 HG12 VAL A 90 20.766 -10.250 -3.718 1.00 0.00 H new ATOM 0 HG13 VAL A 90 20.835 -8.478 -3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 90 18.269 -8.009 -2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 90 18.692 -7.141 -3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 90 17.130 -7.985 -3.723 1.00 0.00 H new ATOM 679 N GLY A 91 18.853 -11.840 -6.302 1.00 0.00 N ATOM 680 CA GLY A 91 19.454 -13.051 -6.923 1.00 0.00 C ATOM 681 C GLY A 91 18.419 -14.124 -7.303 1.00 0.00 C ATOM 682 O GLY A 91 17.998 -14.197 -8.457 1.00 0.00 O ATOM 0 H GLY A 91 17.884 -11.964 -6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 91 20.005 -12.756 -7.816 1.00 0.00 H new ATOM 0 HA3 GLY A 91 20.177 -13.484 -6.231 1.00 0.00 H new ATOM 683 N ARG A 92 18.016 -14.956 -6.332 1.00 0.00 N ATOM 684 CA ARG A 92 17.009 -16.036 -6.560 1.00 0.00 C ATOM 685 C ARG A 92 15.959 -16.082 -5.397 1.00 0.00 C ATOM 686 O ARG A 92 14.824 -15.633 -5.574 1.00 0.00 O ATOM 687 CB ARG A 92 17.793 -17.360 -6.827 1.00 0.00 C ATOM 688 CG ARG A 92 16.954 -18.612 -7.187 1.00 0.00 C ATOM 689 CD ARG A 92 16.221 -18.513 -8.537 1.00 0.00 C ATOM 690 NE ARG A 92 15.545 -19.802 -8.828 1.00 0.00 N ATOM 691 CZ ARG A 92 14.765 -20.032 -9.878 1.00 0.00 C ATOM 692 NH1 ARG A 92 14.471 -19.139 -10.788 1.00 0.00 N ATOM 693 NH2 ARG A 92 14.262 -21.220 -10.011 1.00 0.00 N ATOM 0 H ARG A 92 18.365 -14.912 -5.375 1.00 0.00 H new ATOM 0 HA ARG A 92 16.394 -15.848 -7.440 1.00 0.00 H new ATOM 0 HB2 ARG A 92 18.498 -17.179 -7.639 1.00 0.00 H new ATOM 0 HB3 ARG A 92 18.382 -17.590 -5.939 1.00 0.00 H new ATOM 0 HG2 ARG A 92 17.610 -19.482 -7.205 1.00 0.00 H new ATOM 0 HG3 ARG A 92 16.220 -18.783 -6.399 1.00 0.00 H new ATOM 0 HD2 ARG A 92 15.490 -17.705 -8.508 1.00 0.00 H new ATOM 0 HD3 ARG A 92 16.929 -18.274 -9.331 1.00 0.00 H new ATOM 0 HE ARG A 92 15.691 -20.569 -8.172 1.00 0.00 H new ATOM 0 HH11 ARG A 92 14.849 -18.194 -10.716 1.00 0.00 H new ATOM 0 HH12 ARG A 92 13.864 -19.388 -11.569 1.00 0.00 H new ATOM 0 HH21 ARG A 92 14.470 -21.942 -9.321 1.00 0.00 H new ATOM 0 HH22 ARG A 92 13.658 -21.432 -10.805 1.00 0.00 H new ATOM 694 N SER A 93 16.308 -16.578 -4.195 1.00 0.00 N ATOM 695 CA SER A 93 15.339 -16.752 -3.074 1.00 0.00 C ATOM 696 C SER A 93 14.997 -15.419 -2.336 1.00 0.00 C ATOM 697 O SER A 93 15.252 -15.193 -1.154 1.00 0.00 O ATOM 698 CB SER A 93 15.935 -17.832 -2.135 1.00 0.00 C ATOM 699 OG SER A 93 16.093 -19.097 -2.788 1.00 0.00 O ATOM 0 H SER A 93 17.258 -16.870 -3.965 1.00 0.00 H new ATOM 0 HA SER A 93 14.373 -17.076 -3.461 1.00 0.00 H new ATOM 0 HB2 SER A 93 16.903 -17.494 -1.765 1.00 0.00 H new ATOM 0 HB3 SER A 93 15.287 -17.953 -1.267 1.00 0.00 H new ATOM 0 HG SER A 93 16.473 -19.745 -2.158 1.00 0.00 H new TER 700 SER A 93 HETATM 701 O OH A 94 14.346 -14.528 -3.149 1.00 0.00 O