USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 872 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 104 HIS : no HD1:sc= -6.72! C(o=-14!,f=-25!) USER MOD Set 1.2: A 105 HIS : no HE2:sc= -7.21! C(o=-14!,f=-19!) USER MOD Set 2.1: A 77 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 78 ASN : amide:sc= -5.36! C(o=-5.4!,f=-5.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.831 (180deg=-0.235!) USER MOD Single : A 4 GLN : amide:sc= -0.0367 K(o=-0.037,f=-1.8!) USER MOD Single : A 6 THR OG1 : rot -150:sc= -0.53 USER MOD Single : A 7 LYS NZ :NH3+ -165:sc=-0.00808 (180deg=-0.235) USER MOD Single : A 14 ASN : amide:sc= -4.15! C(o=-4.1!,f=-6.5!) USER MOD Single : A 16 GLN : amide:sc= -0.796 K(o=-0.8,f=-5!) USER MOD Single : A 19 ASN : amide:sc= -6.24! C(o=-6.2!,f=-3.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -163:sc= -0.245 (180deg=-0.357) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 30 ASN : amide:sc= -5.88! C(o=-5.9!,f=-6.3!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0303 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 1.18 K(o=1.2,f=-1) USER MOD Single : A 45 THR OG1 : rot -94:sc= 0.062 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.422 USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= -0.0946 (180deg=-0.252) USER MOD Single : A 55 ASN : amide:sc= -0.0636 K(o=-0.064,f=-1.8!) USER MOD Single : A 63 GLN : amide:sc= -1.56! C(o=-1.6!,f=-13!) USER MOD Single : A 66 SER OG : rot -80:sc= -0.0331 USER MOD Single : A 67 TYR OH : rot 90:sc= 0.114 USER MOD Single : A 71 SER OG : rot 180:sc= -0.339 USER MOD Single : A 82 GLN : amide:sc= -3.08 K(o=-3.1,f=-1.5) USER MOD Single : A 84 GLN : amide:sc= -0.654 K(o=-0.65,f=-1.6!) USER MOD Single : A 86 ASN : amide:sc= -0.0333 X(o=-0.033,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -164:sc=-0.00211 (180deg=-0.325) USER MOD Single : A 88 ASN : amide:sc= -1.33! K(o=-1.3!,f=-0.0097) USER MOD Single : A 89 SER OG : rot -97:sc= -0.955 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -2.53 X(o=-2.5,f=-2!) USER MOD Single : A 107 HIS : no HD1:sc= -0.147 K(o=-0.15,f=-3.2!) USER MOD Single : A 108 HIS : no HD1:sc= -4! C(o=-4!,f=-6.2!) USER MOD Single : A 109 HIS : no HE2:sc= -0.2 K(o=-0.2,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.722 1.715 -12.430 1.00 0.00 N ATOM 2 CA MET A 1 -12.971 2.475 -12.713 1.00 0.00 C ATOM 3 C MET A 1 -13.522 3.065 -11.410 1.00 0.00 C ATOM 4 O MET A 1 -13.991 2.357 -10.542 1.00 0.00 O ATOM 5 CB MET A 1 -14.004 1.537 -13.350 1.00 0.00 C ATOM 6 CG MET A 1 -13.424 0.941 -14.640 1.00 0.00 C ATOM 7 SD MET A 1 -12.334 -0.446 -14.230 1.00 0.00 S ATOM 8 CE MET A 1 -13.602 -1.738 -14.228 1.00 0.00 C ATOM 0 H1 MET A 1 -10.918 2.181 -12.898 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.557 1.688 -11.404 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.817 0.744 -12.791 1.00 0.00 H new ATOM 0 HA MET A 1 -12.756 3.290 -13.404 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.266 0.740 -12.654 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.921 2.083 -13.569 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.230 0.603 -15.291 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.870 1.703 -15.188 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.143 -2.698 -13.993 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.358 -1.505 -13.478 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.070 -1.790 -15.211 1.00 0.00 H new ATOM 20 N GLU A 2 -13.455 4.365 -11.278 1.00 0.00 N ATOM 21 CA GLU A 2 -13.960 5.044 -10.045 1.00 0.00 C ATOM 22 C GLU A 2 -13.571 4.250 -8.789 1.00 0.00 C ATOM 23 O GLU A 2 -14.422 3.858 -8.013 1.00 0.00 O ATOM 24 CB GLU A 2 -15.487 5.169 -10.115 1.00 0.00 C ATOM 25 CG GLU A 2 -15.885 5.922 -11.386 1.00 0.00 C ATOM 26 CD GLU A 2 -17.409 6.038 -11.460 1.00 0.00 C ATOM 27 OE1 GLU A 2 -17.963 6.812 -10.697 1.00 0.00 O ATOM 28 OE2 GLU A 2 -17.997 5.350 -12.279 1.00 0.00 O ATOM 0 H GLU A 2 -13.067 4.994 -11.981 1.00 0.00 H new ATOM 0 HA GLU A 2 -13.509 6.035 -9.987 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -15.943 4.179 -10.109 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -15.859 5.696 -9.237 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -15.434 6.915 -11.389 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -15.507 5.398 -12.264 1.00 0.00 H new ATOM 35 N PRO A 3 -12.299 4.021 -8.580 1.00 0.00 N ATOM 36 CA PRO A 3 -11.801 3.267 -7.388 1.00 0.00 C ATOM 37 C PRO A 3 -11.899 4.081 -6.087 1.00 0.00 C ATOM 38 O PRO A 3 -11.837 5.296 -6.090 1.00 0.00 O ATOM 39 CB PRO A 3 -10.343 2.958 -7.749 1.00 0.00 C ATOM 40 CG PRO A 3 -9.935 4.072 -8.657 1.00 0.00 C ATOM 41 CD PRO A 3 -11.191 4.453 -9.451 1.00 0.00 C ATOM 0 HA PRO A 3 -12.395 2.375 -7.188 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.714 2.921 -6.860 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.254 1.991 -8.243 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.561 4.923 -8.087 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.132 3.757 -9.324 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.231 5.524 -9.648 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.222 3.950 -10.417 1.00 0.00 H new ATOM 49 N GLN A 4 -12.053 3.414 -4.976 1.00 0.00 N ATOM 50 CA GLN A 4 -12.160 4.140 -3.681 1.00 0.00 C ATOM 51 C GLN A 4 -10.782 4.657 -3.268 1.00 0.00 C ATOM 52 O GLN A 4 -10.005 3.964 -2.644 1.00 0.00 O ATOM 53 CB GLN A 4 -12.698 3.182 -2.616 1.00 0.00 C ATOM 54 CG GLN A 4 -12.837 3.923 -1.286 1.00 0.00 C ATOM 55 CD GLN A 4 -13.549 3.025 -0.273 1.00 0.00 C ATOM 56 OE1 GLN A 4 -14.173 2.049 -0.638 1.00 0.00 O ATOM 57 NE2 GLN A 4 -13.480 3.317 0.997 1.00 0.00 N ATOM 0 H GLN A 4 -12.109 2.398 -4.910 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.839 4.987 -3.786 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -13.664 2.784 -2.925 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.025 2.333 -2.502 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.853 4.205 -0.910 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -13.400 4.846 -1.429 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.956 4.137 1.304 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.950 2.726 1.683 1.00 0.00 H new ATOM 66 N LEU A 5 -10.475 5.875 -3.621 1.00 0.00 N ATOM 67 CA LEU A 5 -9.147 6.455 -3.264 1.00 0.00 C ATOM 68 C LEU A 5 -9.206 7.039 -1.855 1.00 0.00 C ATOM 69 O LEU A 5 -10.095 7.798 -1.529 1.00 0.00 O ATOM 70 CB LEU A 5 -8.814 7.559 -4.269 1.00 0.00 C ATOM 71 CG LEU A 5 -8.820 6.974 -5.689 1.00 0.00 C ATOM 72 CD1 LEU A 5 -8.548 8.093 -6.700 1.00 0.00 C ATOM 73 CD2 LEU A 5 -7.740 5.884 -5.817 1.00 0.00 C ATOM 0 H LEU A 5 -11.090 6.498 -4.145 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.379 5.682 -3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.542 8.367 -4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.837 7.988 -4.045 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.795 6.529 -5.890 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -8.552 7.681 -7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.323 8.855 -6.617 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.576 8.541 -6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.753 5.476 -6.828 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.761 6.317 -5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.941 5.087 -5.101 1.00 0.00 H new ATOM 85 N THR A 6 -8.262 6.681 -1.013 1.00 0.00 N ATOM 86 CA THR A 6 -8.253 7.201 0.392 1.00 0.00 C ATOM 87 C THR A 6 -6.886 7.808 0.718 1.00 0.00 C ATOM 88 O THR A 6 -5.855 7.214 0.477 1.00 0.00 O ATOM 89 CB THR A 6 -8.546 6.045 1.347 1.00 0.00 C ATOM 90 OG1 THR A 6 -9.838 5.522 1.064 1.00 0.00 O ATOM 91 CG2 THR A 6 -8.498 6.547 2.790 1.00 0.00 C ATOM 0 H THR A 6 -7.495 6.048 -1.241 1.00 0.00 H new ATOM 0 HA THR A 6 -9.013 7.974 0.501 1.00 0.00 H new ATOM 0 HB THR A 6 -7.799 5.263 1.216 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.230 5.158 1.885 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.707 5.721 3.470 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.508 6.950 3.002 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.245 7.329 2.928 1.00 0.00 H new ATOM 99 N LYS A 7 -6.880 8.994 1.263 1.00 0.00 N ATOM 100 CA LYS A 7 -5.593 9.664 1.610 1.00 0.00 C ATOM 101 C LYS A 7 -5.109 9.188 2.986 1.00 0.00 C ATOM 102 O LYS A 7 -5.876 8.694 3.789 1.00 0.00 O ATOM 103 CB LYS A 7 -5.812 11.178 1.637 1.00 0.00 C ATOM 104 CG LYS A 7 -6.128 11.670 0.221 1.00 0.00 C ATOM 105 CD LYS A 7 -6.372 13.181 0.242 1.00 0.00 C ATOM 106 CE LYS A 7 -6.776 13.653 -1.157 1.00 0.00 C ATOM 107 NZ LYS A 7 -5.618 13.513 -2.087 1.00 0.00 N ATOM 0 H LYS A 7 -7.718 9.532 1.485 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.838 9.412 0.865 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.631 11.426 2.312 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.922 11.679 2.018 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.301 11.435 -0.449 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.008 11.155 -0.165 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.156 13.423 0.960 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.471 13.701 0.567 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.620 13.066 -1.520 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.103 14.692 -1.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.801 14.058 -2.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.758 13.873 -1.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.487 12.510 -2.329 1.00 0.00 H new ATOM 121 N ILE A 8 -3.838 9.327 3.258 1.00 0.00 N ATOM 122 CA ILE A 8 -3.292 8.877 4.574 1.00 0.00 C ATOM 123 C ILE A 8 -3.941 9.687 5.703 1.00 0.00 C ATOM 124 O ILE A 8 -4.317 9.151 6.727 1.00 0.00 O ATOM 125 CB ILE A 8 -1.778 9.109 4.590 1.00 0.00 C ATOM 126 CG1 ILE A 8 -1.111 8.171 3.577 1.00 0.00 C ATOM 127 CG2 ILE A 8 -1.225 8.823 5.989 1.00 0.00 C ATOM 128 CD1 ILE A 8 0.350 8.586 3.381 1.00 0.00 C ATOM 0 H ILE A 8 -3.151 9.734 2.623 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.508 7.818 4.719 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.568 10.145 4.325 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.163 7.141 3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.642 8.209 2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.148 8.989 5.995 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.699 9.488 6.711 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.434 7.788 6.258 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.824 7.919 2.661 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.391 9.610 3.009 1.00 0.00 H new ATOM 0 HD13 ILE A 8 0.877 8.525 4.333 1.00 0.00 H new ATOM 140 N VAL A 9 -4.064 10.971 5.530 1.00 0.00 N ATOM 141 CA VAL A 9 -4.679 11.813 6.594 1.00 0.00 C ATOM 142 C VAL A 9 -6.165 11.466 6.722 1.00 0.00 C ATOM 143 O VAL A 9 -6.781 11.705 7.741 1.00 0.00 O ATOM 144 CB VAL A 9 -4.504 13.289 6.234 1.00 0.00 C ATOM 145 CG1 VAL A 9 -5.263 13.598 4.944 1.00 0.00 C ATOM 146 CG2 VAL A 9 -5.045 14.163 7.368 1.00 0.00 C ATOM 0 H VAL A 9 -3.765 11.476 4.696 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.190 11.622 7.549 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.444 13.500 6.089 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.136 14.650 4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.873 12.980 4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.322 13.384 5.085 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.919 15.214 7.109 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.104 13.950 7.518 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.498 13.948 8.286 1.00 0.00 H new ATOM 156 N ASP A 10 -6.741 10.903 5.697 1.00 0.00 N ATOM 157 CA ASP A 10 -8.182 10.533 5.760 1.00 0.00 C ATOM 158 C ASP A 10 -8.339 9.267 6.601 1.00 0.00 C ATOM 159 O ASP A 10 -9.436 8.813 6.856 1.00 0.00 O ATOM 160 CB ASP A 10 -8.697 10.273 4.343 1.00 0.00 C ATOM 161 CG ASP A 10 -10.203 10.008 4.380 1.00 0.00 C ATOM 162 OD1 ASP A 10 -10.940 10.918 4.723 1.00 0.00 O ATOM 163 OD2 ASP A 10 -10.595 8.898 4.060 1.00 0.00 O ATOM 0 H ASP A 10 -6.275 10.683 4.817 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.753 11.344 6.212 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.485 11.132 3.706 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.179 9.418 3.909 1.00 0.00 H new ATOM 168 N ILE A 11 -7.250 8.692 7.033 1.00 0.00 N ATOM 169 CA ILE A 11 -7.345 7.456 7.857 1.00 0.00 C ATOM 170 C ILE A 11 -7.667 7.834 9.301 1.00 0.00 C ATOM 171 O ILE A 11 -6.889 8.485 9.969 1.00 0.00 O ATOM 172 CB ILE A 11 -6.010 6.706 7.800 1.00 0.00 C ATOM 173 CG1 ILE A 11 -5.774 6.205 6.371 1.00 0.00 C ATOM 174 CG2 ILE A 11 -6.043 5.516 8.761 1.00 0.00 C ATOM 175 CD1 ILE A 11 -4.343 5.684 6.234 1.00 0.00 C ATOM 0 H ILE A 11 -6.303 9.024 6.851 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.136 6.814 7.470 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.203 7.378 8.092 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.484 5.413 6.132 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.946 7.013 5.660 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.092 4.986 8.717 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.212 5.873 9.777 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.849 4.840 8.475 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.181 5.329 5.216 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.640 6.488 6.454 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.186 4.863 6.934 1.00 0.00 H new ATOM 187 N VAL A 12 -8.815 7.421 9.783 1.00 0.00 N ATOM 188 CA VAL A 12 -9.222 7.737 11.188 1.00 0.00 C ATOM 189 C VAL A 12 -9.420 6.431 11.954 1.00 0.00 C ATOM 190 O VAL A 12 -9.394 6.407 13.167 1.00 0.00 O ATOM 191 CB VAL A 12 -10.539 8.515 11.169 1.00 0.00 C ATOM 192 CG1 VAL A 12 -10.327 9.857 10.466 1.00 0.00 C ATOM 193 CG2 VAL A 12 -11.596 7.710 10.409 1.00 0.00 C ATOM 0 H VAL A 12 -9.494 6.872 9.256 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.450 8.336 11.671 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.874 8.685 12.192 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.265 10.412 10.452 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.572 10.433 11.001 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.993 9.683 9.443 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.535 8.264 10.395 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.259 7.541 9.386 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.748 6.751 10.904 1.00 0.00 H new ATOM 203 N GLU A 13 -9.614 5.339 11.252 1.00 0.00 N ATOM 204 CA GLU A 13 -9.813 4.024 11.939 1.00 0.00 C ATOM 205 C GLU A 13 -9.060 2.924 11.189 1.00 0.00 C ATOM 206 O GLU A 13 -9.004 2.906 9.976 1.00 0.00 O ATOM 207 CB GLU A 13 -11.308 3.695 11.984 1.00 0.00 C ATOM 208 CG GLU A 13 -11.872 3.622 10.566 1.00 0.00 C ATOM 209 CD GLU A 13 -13.369 3.311 10.634 1.00 0.00 C ATOM 210 OE1 GLU A 13 -13.844 3.022 11.720 1.00 0.00 O ATOM 211 OE2 GLU A 13 -14.012 3.365 9.600 1.00 0.00 O ATOM 0 H GLU A 13 -9.643 5.302 10.233 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.425 4.085 12.956 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.464 2.745 12.495 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.839 4.456 12.556 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.708 4.567 10.048 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.354 2.851 9.995 1.00 0.00 H new ATOM 218 N ASN A 14 -8.477 2.009 11.916 1.00 0.00 N ATOM 219 CA ASN A 14 -7.712 0.901 11.276 1.00 0.00 C ATOM 220 C ASN A 14 -8.649 -0.254 10.914 1.00 0.00 C ATOM 221 O ASN A 14 -9.782 -0.312 11.349 1.00 0.00 O ATOM 222 CB ASN A 14 -6.641 0.406 12.247 1.00 0.00 C ATOM 223 CG ASN A 14 -7.291 0.041 13.584 1.00 0.00 C ATOM 224 OD1 ASN A 14 -8.246 -0.705 13.623 1.00 0.00 O ATOM 225 ND2 ASN A 14 -6.812 0.548 14.686 1.00 0.00 N ATOM 0 H ASN A 14 -8.499 1.982 12.935 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.244 1.270 10.363 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.131 -0.462 11.830 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.886 1.178 12.397 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.241 0.317 15.582 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.009 1.175 14.652 1.00 0.00 H new ATOM 232 N GLY A 15 -8.177 -1.178 10.118 1.00 0.00 N ATOM 233 CA GLY A 15 -9.028 -2.333 9.720 1.00 0.00 C ATOM 234 C GLY A 15 -9.959 -1.904 8.589 1.00 0.00 C ATOM 235 O GLY A 15 -10.794 -2.660 8.137 1.00 0.00 O ATOM 0 H GLY A 15 -7.235 -1.180 9.726 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.404 -3.166 9.397 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.610 -2.683 10.573 1.00 0.00 H new ATOM 239 N GLN A 16 -9.825 -0.688 8.131 1.00 0.00 N ATOM 240 CA GLN A 16 -10.708 -0.200 7.032 1.00 0.00 C ATOM 241 C GLN A 16 -10.138 -0.616 5.676 1.00 0.00 C ATOM 242 O GLN A 16 -8.938 -0.679 5.486 1.00 0.00 O ATOM 243 CB GLN A 16 -10.816 1.322 7.102 1.00 0.00 C ATOM 244 CG GLN A 16 -9.426 1.948 6.982 1.00 0.00 C ATOM 245 CD GLN A 16 -9.545 3.467 7.128 1.00 0.00 C ATOM 246 OE1 GLN A 16 -10.293 3.950 7.952 1.00 0.00 O ATOM 247 NE2 GLN A 16 -8.833 4.244 6.359 1.00 0.00 N ATOM 0 H GLN A 16 -9.142 -0.011 8.471 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.698 -0.640 7.148 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.459 1.687 6.301 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.279 1.620 8.043 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.766 1.547 7.751 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.983 1.697 6.019 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.204 3.838 5.666 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.905 5.257 6.451 1.00 0.00 H new ATOM 256 N TRP A 17 -10.999 -0.906 4.734 1.00 0.00 N ATOM 257 CA TRP A 17 -10.536 -1.331 3.380 1.00 0.00 C ATOM 258 C TRP A 17 -10.649 -0.165 2.397 1.00 0.00 C ATOM 259 O TRP A 17 -11.617 0.569 2.396 1.00 0.00 O ATOM 260 CB TRP A 17 -11.414 -2.485 2.902 1.00 0.00 C ATOM 261 CG TRP A 17 -11.458 -3.530 3.965 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.201 -3.462 5.094 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.740 -4.795 4.022 1.00 0.00 C ATOM 264 NE1 TRP A 17 -11.982 -4.605 5.842 1.00 0.00 N ATOM 265 CE2 TRP A 17 -11.089 -5.458 5.222 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.827 -5.424 3.157 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.552 -6.704 5.550 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -9.285 -6.677 3.485 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.646 -7.315 4.680 1.00 0.00 C ATOM 0 H TRP A 17 -12.012 -0.866 4.847 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.494 -1.647 3.433 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.420 -2.128 2.683 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -11.016 -2.904 1.978 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -12.857 -2.649 5.366 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -12.425 -4.795 6.741 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.541 -4.940 2.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -10.835 -7.193 6.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.586 -7.152 2.813 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -9.224 -8.278 4.928 1.00 0.00 H new ATOM 280 N ALA A 18 -9.669 -0.005 1.553 1.00 0.00 N ATOM 281 CA ALA A 18 -9.711 1.100 0.553 1.00 0.00 C ATOM 282 C ALA A 18 -8.454 1.028 -0.314 1.00 0.00 C ATOM 283 O ALA A 18 -7.709 0.066 -0.256 1.00 0.00 O ATOM 284 CB ALA A 18 -9.766 2.455 1.270 1.00 0.00 C ATOM 0 H ALA A 18 -8.837 -0.594 1.512 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.600 0.996 -0.070 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.796 3.256 0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.659 2.501 1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.881 2.572 1.896 1.00 0.00 H new ATOM 290 N ASN A 19 -8.214 2.033 -1.119 1.00 0.00 N ATOM 291 CA ASN A 19 -7.004 2.035 -2.003 1.00 0.00 C ATOM 292 C ASN A 19 -5.996 3.054 -1.486 1.00 0.00 C ATOM 293 O ASN A 19 -6.364 4.063 -0.914 1.00 0.00 O ATOM 294 CB ASN A 19 -7.410 2.428 -3.419 1.00 0.00 C ATOM 295 CG ASN A 19 -8.416 1.413 -3.958 1.00 0.00 C ATOM 296 OD1 ASN A 19 -8.917 1.562 -5.053 1.00 0.00 O ATOM 297 ND2 ASN A 19 -8.741 0.384 -3.224 1.00 0.00 N ATOM 0 H ASN A 19 -8.807 2.858 -1.203 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.560 1.039 -2.003 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -7.848 3.426 -3.420 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.532 2.464 -4.064 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.417 -0.297 -3.571 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -8.319 0.260 -2.304 1.00 0.00 H new ATOM 304 N LEU A 20 -4.727 2.806 -1.692 1.00 0.00 N ATOM 305 CA LEU A 20 -3.689 3.772 -1.220 1.00 0.00 C ATOM 306 C LEU A 20 -2.622 3.926 -2.307 1.00 0.00 C ATOM 307 O LEU A 20 -1.981 2.971 -2.700 1.00 0.00 O ATOM 308 CB LEU A 20 -3.054 3.229 0.073 1.00 0.00 C ATOM 309 CG LEU A 20 -2.495 4.386 0.925 1.00 0.00 C ATOM 310 CD1 LEU A 20 -1.518 5.223 0.089 1.00 0.00 C ATOM 311 CD2 LEU A 20 -3.652 5.280 1.444 1.00 0.00 C ATOM 0 H LEU A 20 -4.366 1.978 -2.166 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.138 4.745 -1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.797 2.674 0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.254 2.531 -0.173 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.966 3.969 1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.126 6.039 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.694 4.593 -0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.038 5.632 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.243 6.093 2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.200 5.694 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.328 4.682 2.056 1.00 0.00 H new ATOM 323 N LYS A 21 -2.424 5.128 -2.782 1.00 0.00 N ATOM 324 CA LYS A 21 -1.398 5.380 -3.838 1.00 0.00 C ATOM 325 C LYS A 21 -0.235 6.181 -3.249 1.00 0.00 C ATOM 326 O LYS A 21 -0.432 7.093 -2.472 1.00 0.00 O ATOM 327 CB LYS A 21 -2.040 6.184 -4.964 1.00 0.00 C ATOM 328 CG LYS A 21 -0.994 6.470 -6.041 1.00 0.00 C ATOM 329 CD LYS A 21 -1.675 7.057 -7.279 1.00 0.00 C ATOM 330 CE LYS A 21 -2.214 8.458 -6.971 1.00 0.00 C ATOM 331 NZ LYS A 21 -2.503 9.165 -8.250 1.00 0.00 N ATOM 0 H LYS A 21 -2.936 5.956 -2.479 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.023 4.430 -4.219 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.876 5.630 -5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.443 7.119 -4.575 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.247 7.167 -5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.469 5.552 -6.304 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.965 7.106 -8.105 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.490 6.407 -7.597 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.119 8.388 -6.368 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.485 9.021 -6.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.869 10.117 -8.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.629 9.243 -8.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.213 8.630 -8.790 1.00 0.00 H new ATOM 345 N ALA A 22 0.974 5.853 -3.618 1.00 0.00 N ATOM 346 CA ALA A 22 2.144 6.610 -3.080 1.00 0.00 C ATOM 347 C ALA A 22 3.401 6.253 -3.874 1.00 0.00 C ATOM 348 O ALA A 22 3.339 5.547 -4.859 1.00 0.00 O ATOM 349 CB ALA A 22 2.360 6.252 -1.610 1.00 0.00 C ATOM 0 H ALA A 22 1.203 5.098 -4.265 1.00 0.00 H new ATOM 0 HA ALA A 22 1.947 7.678 -3.170 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.214 6.807 -1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.469 6.511 -1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.551 5.183 -1.520 1.00 0.00 H new ATOM 355 N LYS A 23 4.545 6.745 -3.448 1.00 0.00 N ATOM 356 CA LYS A 23 5.827 6.452 -4.171 1.00 0.00 C ATOM 357 C LYS A 23 6.782 5.697 -3.244 1.00 0.00 C ATOM 358 O LYS A 23 6.816 5.918 -2.050 1.00 0.00 O ATOM 359 CB LYS A 23 6.466 7.772 -4.622 1.00 0.00 C ATOM 360 CG LYS A 23 7.458 7.509 -5.762 1.00 0.00 C ATOM 361 CD LYS A 23 7.974 8.841 -6.308 1.00 0.00 C ATOM 362 CE LYS A 23 8.926 8.572 -7.472 1.00 0.00 C ATOM 363 NZ LYS A 23 9.419 9.866 -8.022 1.00 0.00 N ATOM 0 H LYS A 23 4.645 7.340 -2.626 1.00 0.00 H new ATOM 0 HA LYS A 23 5.622 5.833 -5.045 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.693 8.466 -4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.979 8.243 -3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.291 6.905 -5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.973 6.942 -6.556 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.140 9.459 -6.640 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.488 9.395 -5.523 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.766 7.964 -7.135 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.415 8.005 -8.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.823 9.710 -8.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.628 10.538 -8.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.151 10.254 -7.393 1.00 0.00 H new ATOM 377 N VAL A 24 7.539 4.784 -3.789 1.00 0.00 N ATOM 378 CA VAL A 24 8.473 3.984 -2.945 1.00 0.00 C ATOM 379 C VAL A 24 9.735 4.782 -2.614 1.00 0.00 C ATOM 380 O VAL A 24 10.474 5.195 -3.488 1.00 0.00 O ATOM 381 CB VAL A 24 8.859 2.716 -3.704 1.00 0.00 C ATOM 382 CG1 VAL A 24 9.499 1.714 -2.742 1.00 0.00 C ATOM 383 CG2 VAL A 24 7.606 2.097 -4.329 1.00 0.00 C ATOM 0 H VAL A 24 7.551 4.557 -4.783 1.00 0.00 H new ATOM 0 HA VAL A 24 7.974 3.732 -2.009 1.00 0.00 H new ATOM 0 HB VAL A 24 9.573 2.967 -4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.773 0.811 -3.287 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.392 2.155 -2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.789 1.461 -1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.879 1.192 -4.871 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.893 1.848 -3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.153 2.810 -5.018 1.00 0.00 H new ATOM 393 N ILE A 25 9.987 4.978 -1.343 1.00 0.00 N ATOM 394 CA ILE A 25 11.202 5.727 -0.905 1.00 0.00 C ATOM 395 C ILE A 25 12.317 4.724 -0.608 1.00 0.00 C ATOM 396 O ILE A 25 13.432 4.866 -1.064 1.00 0.00 O ATOM 397 CB ILE A 25 10.884 6.502 0.373 1.00 0.00 C ATOM 398 CG1 ILE A 25 9.618 7.346 0.172 1.00 0.00 C ATOM 399 CG2 ILE A 25 12.059 7.413 0.737 1.00 0.00 C ATOM 400 CD1 ILE A 25 9.755 8.225 -1.077 1.00 0.00 C ATOM 0 H ILE A 25 9.394 4.646 -0.582 1.00 0.00 H new ATOM 0 HA ILE A 25 11.513 6.418 -1.688 1.00 0.00 H new ATOM 0 HB ILE A 25 10.716 5.793 1.184 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.750 6.694 0.072 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.447 7.972 1.048 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.825 7.962 1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.952 6.809 0.896 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.238 8.118 -0.075 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.849 8.818 -1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.611 8.890 -0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.903 7.593 -1.952 1.00 0.00 H new ATOM 412 N GLN A 26 12.018 3.706 0.157 1.00 0.00 N ATOM 413 CA GLN A 26 13.053 2.686 0.490 1.00 0.00 C ATOM 414 C GLN A 26 12.372 1.350 0.801 1.00 0.00 C ATOM 415 O GLN A 26 11.256 1.309 1.289 1.00 0.00 O ATOM 416 CB GLN A 26 13.856 3.155 1.708 1.00 0.00 C ATOM 417 CG GLN A 26 14.979 2.157 1.996 1.00 0.00 C ATOM 418 CD GLN A 26 15.772 2.618 3.219 1.00 0.00 C ATOM 419 OE1 GLN A 26 15.199 3.025 4.210 1.00 0.00 O ATOM 420 NE2 GLN A 26 17.076 2.569 3.192 1.00 0.00 N ATOM 0 H GLN A 26 11.099 3.538 0.566 1.00 0.00 H new ATOM 0 HA GLN A 26 13.726 2.557 -0.358 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.274 4.144 1.522 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.202 3.243 2.576 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.562 1.166 2.173 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.638 2.076 1.132 1.00 0.00 H new ATOM 0 HE21 GLN A 26 17.556 2.227 2.360 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.615 2.873 4.003 1.00 0.00 H new ATOM 429 N LEU A 27 13.044 0.257 0.519 1.00 0.00 N ATOM 430 CA LEU A 27 12.464 -1.100 0.783 1.00 0.00 C ATOM 431 C LEU A 27 13.369 -1.873 1.739 1.00 0.00 C ATOM 432 O LEU A 27 14.576 -1.745 1.701 1.00 0.00 O ATOM 433 CB LEU A 27 12.357 -1.860 -0.540 1.00 0.00 C ATOM 434 CG LEU A 27 11.412 -1.112 -1.488 1.00 0.00 C ATOM 435 CD1 LEU A 27 11.394 -1.818 -2.847 1.00 0.00 C ATOM 436 CD2 LEU A 27 9.987 -1.077 -0.900 1.00 0.00 C ATOM 0 H LEU A 27 13.980 0.248 0.113 1.00 0.00 H new ATOM 0 HA LEU A 27 11.477 -0.994 1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.342 -1.958 -0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.986 -2.869 -0.362 1.00 0.00 H new ATOM 0 HG LEU A 27 11.765 -0.088 -1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.723 -1.288 -3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.400 -1.826 -3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.046 -2.843 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.325 -0.543 -1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.624 -2.096 -0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.003 -0.567 0.063 1.00 0.00 H new ATOM 448 N TRP A 28 12.786 -2.678 2.598 1.00 0.00 N ATOM 449 CA TRP A 28 13.597 -3.474 3.569 1.00 0.00 C ATOM 450 C TRP A 28 13.176 -4.946 3.496 1.00 0.00 C ATOM 451 O TRP A 28 12.082 -5.313 3.872 1.00 0.00 O ATOM 452 CB TRP A 28 13.365 -2.925 4.990 1.00 0.00 C ATOM 453 CG TRP A 28 14.573 -3.189 5.829 1.00 0.00 C ATOM 454 CD1 TRP A 28 14.961 -4.404 6.274 1.00 0.00 C ATOM 455 CD2 TRP A 28 15.560 -2.239 6.311 1.00 0.00 C ATOM 456 NE1 TRP A 28 16.128 -4.259 7.002 1.00 0.00 N ATOM 457 CE2 TRP A 28 16.537 -2.939 7.054 1.00 0.00 C ATOM 458 CE3 TRP A 28 15.699 -0.846 6.175 1.00 0.00 C ATOM 459 CZ2 TRP A 28 17.617 -2.282 7.643 1.00 0.00 C ATOM 460 CZ3 TRP A 28 16.783 -0.180 6.766 1.00 0.00 C ATOM 461 CH2 TRP A 28 17.742 -0.897 7.498 1.00 0.00 C ATOM 0 H TRP A 28 11.778 -2.817 2.666 1.00 0.00 H new ATOM 0 HA TRP A 28 14.656 -3.396 3.323 1.00 0.00 H new ATOM 0 HB2 TRP A 28 13.164 -1.854 4.950 1.00 0.00 H new ATOM 0 HB3 TRP A 28 12.489 -3.397 5.435 1.00 0.00 H new ATOM 0 HD1 TRP A 28 14.445 -5.335 6.091 1.00 0.00 H new ATOM 0 HE1 TRP A 28 16.626 -5.031 7.446 1.00 0.00 H new ATOM 0 HE3 TRP A 28 14.967 -0.286 5.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 18.351 -2.839 8.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 16.880 0.890 6.657 1.00 0.00 H new ATOM 0 HH2 TRP A 28 18.576 -0.379 7.949 1.00 0.00 H new ATOM 472 N GLU A 29 14.043 -5.784 3.006 1.00 0.00 N ATOM 473 CA GLU A 29 13.716 -7.231 2.890 1.00 0.00 C ATOM 474 C GLU A 29 13.533 -7.835 4.287 1.00 0.00 C ATOM 475 O GLU A 29 14.308 -7.580 5.187 1.00 0.00 O ATOM 476 CB GLU A 29 14.874 -7.933 2.179 1.00 0.00 C ATOM 477 CG GLU A 29 14.481 -9.369 1.826 1.00 0.00 C ATOM 478 CD GLU A 29 13.527 -9.363 0.628 1.00 0.00 C ATOM 479 OE1 GLU A 29 13.346 -8.306 0.045 1.00 0.00 O ATOM 480 OE2 GLU A 29 13.003 -10.416 0.309 1.00 0.00 O ATOM 0 H GLU A 29 14.974 -5.526 2.678 1.00 0.00 H new ATOM 0 HA GLU A 29 12.793 -7.360 2.325 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.139 -7.387 1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.756 -7.936 2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.371 -9.953 1.591 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.003 -9.846 2.681 1.00 0.00 H new ATOM 487 N ASN A 30 12.513 -8.637 4.471 1.00 0.00 N ATOM 488 CA ASN A 30 12.270 -9.266 5.804 1.00 0.00 C ATOM 489 C ASN A 30 12.713 -10.729 5.753 1.00 0.00 C ATOM 490 O ASN A 30 13.440 -11.197 6.604 1.00 0.00 O ATOM 491 CB ASN A 30 10.773 -9.203 6.103 1.00 0.00 C ATOM 492 CG ASN A 30 10.518 -9.548 7.571 1.00 0.00 C ATOM 493 OD1 ASN A 30 11.374 -10.087 8.241 1.00 0.00 O ATOM 494 ND2 ASN A 30 9.362 -9.255 8.098 1.00 0.00 N ATOM 0 H ASN A 30 11.835 -8.884 3.750 1.00 0.00 H new ATOM 0 HA ASN A 30 12.830 -8.742 6.579 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.392 -8.206 5.884 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.235 -9.899 5.459 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.176 -9.479 9.076 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.644 -8.802 7.533 1.00 0.00 H new ATOM 501 N THR A 31 12.267 -11.451 4.758 1.00 0.00 N ATOM 502 CA THR A 31 12.643 -12.890 4.633 1.00 0.00 C ATOM 503 C THR A 31 12.025 -13.664 5.797 1.00 0.00 C ATOM 504 O THR A 31 12.132 -14.871 5.880 1.00 0.00 O ATOM 505 CB THR A 31 14.174 -13.040 4.659 1.00 0.00 C ATOM 506 OG1 THR A 31 14.766 -11.964 3.946 1.00 0.00 O ATOM 507 CG2 THR A 31 14.579 -14.365 4.007 1.00 0.00 C ATOM 0 H THR A 31 11.654 -11.102 4.021 1.00 0.00 H new ATOM 0 HA THR A 31 12.271 -13.285 3.687 1.00 0.00 H new ATOM 0 HB THR A 31 14.517 -13.029 5.693 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.741 -12.057 3.963 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.664 -14.465 4.029 1.00 0.00 H new ATOM 0 HG22 THR A 31 14.128 -15.193 4.554 1.00 0.00 H new ATOM 0 HG23 THR A 31 14.234 -14.382 2.973 1.00 0.00 H new ATOM 515 N HIS A 32 11.384 -12.975 6.699 1.00 0.00 N ATOM 516 CA HIS A 32 10.763 -13.659 7.865 1.00 0.00 C ATOM 517 C HIS A 32 9.388 -14.201 7.471 1.00 0.00 C ATOM 518 O HIS A 32 8.554 -13.490 6.948 1.00 0.00 O ATOM 519 CB HIS A 32 10.617 -12.656 9.007 1.00 0.00 C ATOM 520 CG HIS A 32 10.110 -13.361 10.233 1.00 0.00 C ATOM 521 ND1 HIS A 32 10.877 -14.286 10.921 1.00 0.00 N ATOM 522 CD2 HIS A 32 8.918 -13.283 10.907 1.00 0.00 C ATOM 523 CE1 HIS A 32 10.144 -14.725 11.961 1.00 0.00 C ATOM 524 NE2 HIS A 32 8.941 -14.145 11.999 1.00 0.00 N ATOM 0 H HIS A 32 11.263 -11.962 6.678 1.00 0.00 H new ATOM 0 HA HIS A 32 11.392 -14.490 8.185 1.00 0.00 H new ATOM 0 HB2 HIS A 32 11.578 -12.185 9.217 1.00 0.00 H new ATOM 0 HB3 HIS A 32 9.928 -11.861 8.721 1.00 0.00 H new ATOM 0 HD2 HIS A 32 8.088 -12.649 10.632 1.00 0.00 H new ATOM 0 HE1 HIS A 32 10.487 -15.457 12.677 1.00 0.00 H new ATOM 0 HE2 HIS A 32 8.199 -14.301 12.682 1.00 0.00 H new ATOM 532 N GLU A 33 9.158 -15.464 7.715 1.00 0.00 N ATOM 533 CA GLU A 33 7.852 -16.095 7.360 1.00 0.00 C ATOM 534 C GLU A 33 6.687 -15.149 7.663 1.00 0.00 C ATOM 535 O GLU A 33 6.781 -14.280 8.503 1.00 0.00 O ATOM 536 CB GLU A 33 7.682 -17.381 8.168 1.00 0.00 C ATOM 537 CG GLU A 33 8.702 -18.413 7.687 1.00 0.00 C ATOM 538 CD GLU A 33 8.587 -19.681 8.534 1.00 0.00 C ATOM 539 OE1 GLU A 33 7.762 -19.699 9.431 1.00 0.00 O ATOM 540 OE2 GLU A 33 9.328 -20.613 8.269 1.00 0.00 O ATOM 0 H GLU A 33 9.830 -16.095 8.152 1.00 0.00 H new ATOM 0 HA GLU A 33 7.849 -16.315 6.292 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.823 -17.179 9.230 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.670 -17.769 8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.529 -18.648 6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.710 -18.005 7.760 1.00 0.00 H new ATOM 547 N SER A 34 5.587 -15.326 6.974 1.00 0.00 N ATOM 548 CA SER A 34 4.393 -14.456 7.195 1.00 0.00 C ATOM 549 C SER A 34 4.597 -13.111 6.493 1.00 0.00 C ATOM 550 O SER A 34 3.740 -12.651 5.767 1.00 0.00 O ATOM 551 CB SER A 34 4.170 -14.236 8.701 1.00 0.00 C ATOM 552 OG SER A 34 2.778 -14.082 8.947 1.00 0.00 O ATOM 0 H SER A 34 5.465 -16.044 6.260 1.00 0.00 H new ATOM 0 HA SER A 34 3.513 -14.947 6.779 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.561 -15.082 9.267 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.711 -13.351 9.036 1.00 0.00 H new ATOM 0 HG SER A 34 2.629 -13.943 9.906 1.00 0.00 H new ATOM 558 N ILE A 35 5.722 -12.476 6.711 1.00 0.00 N ATOM 559 CA ILE A 35 5.985 -11.150 6.068 1.00 0.00 C ATOM 560 C ILE A 35 7.058 -11.307 4.987 1.00 0.00 C ATOM 561 O ILE A 35 8.112 -11.865 5.215 1.00 0.00 O ATOM 562 CB ILE A 35 6.456 -10.165 7.137 1.00 0.00 C ATOM 563 CG1 ILE A 35 5.360 -10.024 8.198 1.00 0.00 C ATOM 564 CG2 ILE A 35 6.715 -8.803 6.492 1.00 0.00 C ATOM 565 CD1 ILE A 35 5.892 -9.228 9.390 1.00 0.00 C ATOM 0 H ILE A 35 6.473 -12.820 7.309 1.00 0.00 H new ATOM 0 HA ILE A 35 5.073 -10.774 5.605 1.00 0.00 H new ATOM 0 HB ILE A 35 7.374 -10.529 7.598 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.491 -9.522 7.772 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.029 -11.010 8.526 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.051 -8.098 7.253 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.483 -8.904 5.726 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.795 -8.435 6.037 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.108 -9.131 10.141 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.747 -9.748 9.822 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.200 -8.237 9.057 1.00 0.00 H new ATOM 577 N SER A 36 6.781 -10.823 3.806 1.00 0.00 N ATOM 578 CA SER A 36 7.756 -10.937 2.683 1.00 0.00 C ATOM 579 C SER A 36 8.723 -9.755 2.712 1.00 0.00 C ATOM 580 O SER A 36 9.903 -9.908 2.975 1.00 0.00 O ATOM 581 CB SER A 36 6.992 -10.924 1.362 1.00 0.00 C ATOM 582 OG SER A 36 7.894 -11.175 0.294 1.00 0.00 O ATOM 0 H SER A 36 5.910 -10.348 3.569 1.00 0.00 H new ATOM 0 HA SER A 36 8.319 -11.865 2.784 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.207 -11.680 1.375 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.503 -9.960 1.221 1.00 0.00 H new ATOM 0 HG SER A 36 7.405 -11.169 -0.555 1.00 0.00 H new ATOM 588 N GLN A 37 8.232 -8.574 2.430 1.00 0.00 N ATOM 589 CA GLN A 37 9.112 -7.366 2.422 1.00 0.00 C ATOM 590 C GLN A 37 8.437 -6.242 3.196 1.00 0.00 C ATOM 591 O GLN A 37 7.229 -6.128 3.220 1.00 0.00 O ATOM 592 CB GLN A 37 9.333 -6.922 0.975 1.00 0.00 C ATOM 593 CG GLN A 37 10.151 -7.987 0.245 1.00 0.00 C ATOM 594 CD GLN A 37 10.331 -7.585 -1.220 1.00 0.00 C ATOM 595 OE1 GLN A 37 9.365 -7.382 -1.927 1.00 0.00 O ATOM 596 NE2 GLN A 37 11.535 -7.467 -1.710 1.00 0.00 N ATOM 0 H GLN A 37 7.254 -8.394 2.204 1.00 0.00 H new ATOM 0 HA GLN A 37 10.068 -7.603 2.888 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.375 -6.776 0.476 1.00 0.00 H new ATOM 0 HB3 GLN A 37 9.854 -5.965 0.951 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.124 -8.103 0.723 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.648 -8.952 0.308 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.346 -7.638 -1.116 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.664 -7.204 -2.687 1.00 0.00 H new ATOM 605 N VAL A 38 9.221 -5.411 3.830 1.00 0.00 N ATOM 606 CA VAL A 38 8.662 -4.274 4.619 1.00 0.00 C ATOM 607 C VAL A 38 9.364 -2.989 4.192 1.00 0.00 C ATOM 608 O VAL A 38 10.567 -2.945 4.063 1.00 0.00 O ATOM 609 CB VAL A 38 8.903 -4.533 6.109 1.00 0.00 C ATOM 610 CG1 VAL A 38 8.620 -3.260 6.915 1.00 0.00 C ATOM 611 CG2 VAL A 38 7.968 -5.652 6.573 1.00 0.00 C ATOM 0 H VAL A 38 10.239 -5.473 3.835 1.00 0.00 H new ATOM 0 HA VAL A 38 7.591 -4.179 4.442 1.00 0.00 H new ATOM 0 HB VAL A 38 9.941 -4.825 6.266 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.794 -3.453 7.974 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.281 -2.462 6.578 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.583 -2.959 6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.130 -5.846 7.633 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.933 -5.351 6.414 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.174 -6.558 6.003 1.00 0.00 H new ATOM 621 N GLY A 39 8.624 -1.939 3.971 1.00 0.00 N ATOM 622 CA GLY A 39 9.271 -0.665 3.552 1.00 0.00 C ATOM 623 C GLY A 39 8.344 0.502 3.860 1.00 0.00 C ATOM 624 O GLY A 39 7.420 0.378 4.637 1.00 0.00 O ATOM 0 H GLY A 39 7.609 -1.907 4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.219 -0.538 4.075 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.496 -0.693 2.486 1.00 0.00 H new ATOM 628 N LEU A 40 8.578 1.640 3.251 1.00 0.00 N ATOM 629 CA LEU A 40 7.699 2.821 3.513 1.00 0.00 C ATOM 630 C LEU A 40 7.446 3.571 2.209 1.00 0.00 C ATOM 631 O LEU A 40 8.296 3.628 1.345 1.00 0.00 O ATOM 632 CB LEU A 40 8.370 3.753 4.528 1.00 0.00 C ATOM 633 CG LEU A 40 9.844 4.006 4.122 1.00 0.00 C ATOM 634 CD1 LEU A 40 10.254 5.437 4.493 1.00 0.00 C ATOM 635 CD2 LEU A 40 10.769 3.014 4.847 1.00 0.00 C ATOM 0 H LEU A 40 9.336 1.801 2.587 1.00 0.00 H new ATOM 0 HA LEU A 40 6.748 2.478 3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.830 4.699 4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.329 3.310 5.523 1.00 0.00 H new ATOM 0 HG LEU A 40 9.935 3.868 3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.291 5.605 4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.612 6.146 3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.150 5.578 5.569 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.803 3.200 4.555 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.668 3.143 5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.493 1.995 4.576 1.00 0.00 H new ATOM 647 N LEU A 41 6.270 4.130 2.058 1.00 0.00 N ATOM 648 CA LEU A 41 5.930 4.869 0.803 1.00 0.00 C ATOM 649 C LEU A 41 5.717 6.346 1.121 1.00 0.00 C ATOM 650 O LEU A 41 5.034 6.704 2.067 1.00 0.00 O ATOM 651 CB LEU A 41 4.645 4.286 0.217 1.00 0.00 C ATOM 652 CG LEU A 41 4.768 2.762 0.115 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.448 2.176 -0.384 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.887 2.391 -0.862 1.00 0.00 C ATOM 0 H LEU A 41 5.526 4.105 2.756 1.00 0.00 H new ATOM 0 HA LEU A 41 6.744 4.769 0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.795 4.550 0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.457 4.712 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 41 5.002 2.358 1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.536 1.092 -0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.650 2.430 0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.215 2.588 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.967 1.306 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.660 2.799 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.831 2.804 -0.507 1.00 0.00 H new ATOM 666 N GLY A 42 6.311 7.205 0.337 1.00 0.00 N ATOM 667 CA GLY A 42 6.173 8.671 0.569 1.00 0.00 C ATOM 668 C GLY A 42 5.016 9.232 -0.251 1.00 0.00 C ATOM 669 O GLY A 42 4.807 8.864 -1.390 1.00 0.00 O ATOM 0 H GLY A 42 6.892 6.950 -0.462 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.003 8.864 1.628 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.099 9.178 0.297 1.00 0.00 H new ATOM 673 N ASP A 43 4.269 10.137 0.322 1.00 0.00 N ATOM 674 CA ASP A 43 3.125 10.750 -0.412 1.00 0.00 C ATOM 675 C ASP A 43 2.947 12.192 0.073 1.00 0.00 C ATOM 676 O ASP A 43 3.397 12.554 1.142 1.00 0.00 O ATOM 677 CB ASP A 43 1.850 9.950 -0.128 1.00 0.00 C ATOM 678 CG ASP A 43 0.764 10.325 -1.141 1.00 0.00 C ATOM 679 OD1 ASP A 43 1.111 10.840 -2.191 1.00 0.00 O ATOM 680 OD2 ASP A 43 -0.397 10.091 -0.847 1.00 0.00 O ATOM 0 H ASP A 43 4.403 10.480 1.273 1.00 0.00 H new ATOM 0 HA ASP A 43 3.321 10.741 -1.484 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.060 8.882 -0.185 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.501 10.153 0.885 1.00 0.00 H new ATOM 685 N GLU A 44 2.304 13.017 -0.703 1.00 0.00 N ATOM 686 CA GLU A 44 2.102 14.435 -0.286 1.00 0.00 C ATOM 687 C GLU A 44 1.176 14.487 0.933 1.00 0.00 C ATOM 688 O GLU A 44 1.154 15.454 1.667 1.00 0.00 O ATOM 689 CB GLU A 44 1.477 15.211 -1.445 1.00 0.00 C ATOM 690 CG GLU A 44 1.350 16.687 -1.065 1.00 0.00 C ATOM 691 CD GLU A 44 0.790 17.474 -2.253 1.00 0.00 C ATOM 692 OE1 GLU A 44 0.338 16.845 -3.195 1.00 0.00 O ATOM 693 OE2 GLU A 44 0.821 18.693 -2.198 1.00 0.00 O ATOM 0 H GLU A 44 1.908 12.772 -1.610 1.00 0.00 H new ATOM 0 HA GLU A 44 3.061 14.881 -0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.092 15.107 -2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.496 14.801 -1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.694 16.796 -0.201 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.323 17.085 -0.778 1.00 0.00 H new ATOM 700 N THR A 45 0.408 13.455 1.153 1.00 0.00 N ATOM 701 CA THR A 45 -0.516 13.449 2.321 1.00 0.00 C ATOM 702 C THR A 45 0.268 13.098 3.585 1.00 0.00 C ATOM 703 O THR A 45 -0.231 13.221 4.685 1.00 0.00 O ATOM 704 CB THR A 45 -1.610 12.404 2.095 1.00 0.00 C ATOM 705 OG1 THR A 45 -1.006 11.139 1.869 1.00 0.00 O ATOM 706 CG2 THR A 45 -2.451 12.794 0.879 1.00 0.00 C ATOM 0 H THR A 45 0.381 12.616 0.574 1.00 0.00 H new ATOM 0 HA THR A 45 -0.969 14.434 2.435 1.00 0.00 H new ATOM 0 HB THR A 45 -2.253 12.352 2.974 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.899 10.995 0.906 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.229 12.048 0.721 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.911 13.767 1.052 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.813 12.846 -0.003 1.00 0.00 H new ATOM 714 N GLY A 46 1.498 12.673 3.437 1.00 0.00 N ATOM 715 CA GLY A 46 2.327 12.322 4.632 1.00 0.00 C ATOM 716 C GLY A 46 3.130 11.056 4.340 1.00 0.00 C ATOM 717 O GLY A 46 3.267 10.651 3.203 1.00 0.00 O ATOM 0 H GLY A 46 1.965 12.554 2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.000 13.144 4.875 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.686 12.167 5.500 1.00 0.00 H new ATOM 721 N ILE A 47 3.661 10.430 5.361 1.00 0.00 N ATOM 722 CA ILE A 47 4.469 9.184 5.157 1.00 0.00 C ATOM 723 C ILE A 47 3.738 8.013 5.803 1.00 0.00 C ATOM 724 O ILE A 47 3.293 8.099 6.930 1.00 0.00 O ATOM 725 CB ILE A 47 5.830 9.361 5.831 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.457 10.690 5.377 1.00 0.00 C ATOM 727 CG2 ILE A 47 6.747 8.197 5.447 1.00 0.00 C ATOM 728 CD1 ILE A 47 6.562 10.750 3.850 1.00 0.00 C ATOM 0 H ILE A 47 3.570 10.729 6.332 1.00 0.00 H new ATOM 0 HA ILE A 47 4.606 8.994 4.092 1.00 0.00 H new ATOM 0 HB ILE A 47 5.702 9.374 6.913 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.854 11.523 5.737 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.448 10.799 5.818 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.717 8.324 5.928 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.300 7.258 5.774 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.878 8.179 4.365 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.008 11.699 3.553 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.185 9.929 3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.567 10.665 3.413 1.00 0.00 H new ATOM 740 N ILE A 48 3.602 6.918 5.092 1.00 0.00 N ATOM 741 CA ILE A 48 2.886 5.732 5.662 1.00 0.00 C ATOM 742 C ILE A 48 3.692 4.462 5.404 1.00 0.00 C ATOM 743 O ILE A 48 4.297 4.294 4.364 1.00 0.00 O ATOM 744 CB ILE A 48 1.507 5.613 5.010 1.00 0.00 C ATOM 745 CG1 ILE A 48 0.730 4.470 5.668 1.00 0.00 C ATOM 746 CG2 ILE A 48 1.665 5.332 3.515 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.752 4.590 5.315 1.00 0.00 C ATOM 0 H ILE A 48 3.955 6.795 4.143 1.00 0.00 H new ATOM 0 HA ILE A 48 2.770 5.862 6.738 1.00 0.00 H new ATOM 0 HB ILE A 48 0.962 6.548 5.143 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.119 3.510 5.329 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.861 4.503 6.750 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.681 5.248 3.055 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.216 6.148 3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.211 4.399 3.376 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.305 3.776 5.784 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.136 5.544 5.676 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.874 4.536 4.233 1.00 0.00 H new ATOM 759 N LYS A 49 3.714 3.571 6.361 1.00 0.00 N ATOM 760 CA LYS A 49 4.488 2.306 6.202 1.00 0.00 C ATOM 761 C LYS A 49 3.607 1.213 5.597 1.00 0.00 C ATOM 762 O LYS A 49 2.399 1.254 5.697 1.00 0.00 O ATOM 763 CB LYS A 49 4.999 1.848 7.565 1.00 0.00 C ATOM 764 CG LYS A 49 6.040 2.844 8.075 1.00 0.00 C ATOM 765 CD LYS A 49 6.599 2.350 9.408 1.00 0.00 C ATOM 766 CE LYS A 49 7.630 3.348 9.936 1.00 0.00 C ATOM 767 NZ LYS A 49 8.160 2.871 11.245 1.00 0.00 N ATOM 0 H LYS A 49 3.225 3.667 7.251 1.00 0.00 H new ATOM 0 HA LYS A 49 5.329 2.491 5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.172 1.776 8.271 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.438 0.854 7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.844 2.952 7.347 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.589 3.828 8.199 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.791 2.230 10.130 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.059 1.370 9.280 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.445 3.458 9.220 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.173 4.331 10.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.861 3.550 11.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.379 2.788 11.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.610 1.942 11.119 1.00 0.00 H new ATOM 781 N PHE A 50 4.205 0.225 4.975 1.00 0.00 N ATOM 782 CA PHE A 50 3.394 -0.877 4.374 1.00 0.00 C ATOM 783 C PHE A 50 4.160 -2.195 4.481 1.00 0.00 C ATOM 784 O PHE A 50 5.367 -2.214 4.646 1.00 0.00 O ATOM 785 CB PHE A 50 3.103 -0.568 2.899 1.00 0.00 C ATOM 786 CG PHE A 50 4.338 -0.779 2.042 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.434 0.079 2.164 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.373 -1.827 1.110 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.564 -0.107 1.356 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.504 -2.014 0.306 1.00 0.00 C ATOM 791 CZ PHE A 50 6.598 -1.153 0.429 1.00 0.00 C ATOM 0 H PHE A 50 5.214 0.135 4.859 1.00 0.00 H new ATOM 0 HA PHE A 50 2.451 -0.961 4.914 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.296 -1.208 2.543 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.760 0.462 2.801 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.410 0.886 2.881 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.526 -2.490 1.013 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.409 0.558 1.450 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.531 -2.823 -0.409 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.470 -1.296 -0.192 1.00 0.00 H new ATOM 801 N THR A 51 3.465 -3.298 4.372 1.00 0.00 N ATOM 802 CA THR A 51 4.145 -4.627 4.451 1.00 0.00 C ATOM 803 C THR A 51 3.507 -5.577 3.440 1.00 0.00 C ATOM 804 O THR A 51 2.310 -5.565 3.238 1.00 0.00 O ATOM 805 CB THR A 51 3.992 -5.196 5.865 1.00 0.00 C ATOM 806 OG1 THR A 51 4.391 -6.559 5.870 1.00 0.00 O ATOM 807 CG2 THR A 51 2.535 -5.087 6.313 1.00 0.00 C ATOM 0 H THR A 51 2.455 -3.336 4.232 1.00 0.00 H new ATOM 0 HA THR A 51 5.205 -4.513 4.224 1.00 0.00 H new ATOM 0 HB THR A 51 4.620 -4.629 6.552 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.295 -6.924 6.774 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.432 -5.493 7.319 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.231 -4.040 6.312 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.901 -5.650 5.628 1.00 0.00 H new ATOM 815 N ILE A 52 4.302 -6.397 2.798 1.00 0.00 N ATOM 816 CA ILE A 52 3.756 -7.353 1.784 1.00 0.00 C ATOM 817 C ILE A 52 3.770 -8.771 2.352 1.00 0.00 C ATOM 818 O ILE A 52 4.785 -9.266 2.797 1.00 0.00 O ATOM 819 CB ILE A 52 4.625 -7.300 0.529 1.00 0.00 C ATOM 820 CG1 ILE A 52 4.596 -5.877 -0.036 1.00 0.00 C ATOM 821 CG2 ILE A 52 4.075 -8.279 -0.509 1.00 0.00 C ATOM 822 CD1 ILE A 52 5.639 -5.737 -1.147 1.00 0.00 C ATOM 0 H ILE A 52 5.312 -6.446 2.933 1.00 0.00 H new ATOM 0 HA ILE A 52 2.731 -7.076 1.537 1.00 0.00 H new ATOM 0 HB ILE A 52 5.651 -7.575 0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.604 -5.651 -0.426 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.798 -5.157 0.757 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.693 -8.243 -1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.088 -9.289 -0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.051 -8.003 -0.763 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.613 -4.722 -1.545 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.630 -5.943 -0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.418 -6.445 -1.945 1.00 0.00 H new ATOM 834 N TRP A 53 2.639 -9.427 2.337 1.00 0.00 N ATOM 835 CA TRP A 53 2.555 -10.818 2.871 1.00 0.00 C ATOM 836 C TRP A 53 2.597 -11.820 1.713 1.00 0.00 C ATOM 837 O TRP A 53 2.119 -11.554 0.628 1.00 0.00 O ATOM 838 CB TRP A 53 1.238 -10.981 3.632 1.00 0.00 C ATOM 839 CG TRP A 53 1.078 -9.854 4.606 1.00 0.00 C ATOM 840 CD1 TRP A 53 0.883 -8.556 4.273 1.00 0.00 C ATOM 841 CD2 TRP A 53 1.092 -9.905 6.062 1.00 0.00 C ATOM 842 NE1 TRP A 53 0.775 -7.808 5.433 1.00 0.00 N ATOM 843 CE2 TRP A 53 0.898 -8.594 6.562 1.00 0.00 C ATOM 844 CE3 TRP A 53 1.251 -10.951 6.988 1.00 0.00 C ATOM 845 CZ2 TRP A 53 0.867 -8.332 7.931 1.00 0.00 C ATOM 846 CZ3 TRP A 53 1.220 -10.690 8.367 1.00 0.00 C ATOM 847 CH2 TRP A 53 1.027 -9.383 8.838 1.00 0.00 C ATOM 0 H TRP A 53 1.762 -9.054 1.974 1.00 0.00 H new ATOM 0 HA TRP A 53 3.397 -11.004 3.538 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.402 -10.993 2.933 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.226 -11.935 4.159 1.00 0.00 H new ATOM 0 HD1 TRP A 53 0.822 -8.168 3.267 1.00 0.00 H new ATOM 0 HE1 TRP A 53 0.623 -6.800 5.452 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.398 -11.961 6.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.720 -7.323 8.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.346 -11.501 9.070 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.002 -9.189 9.900 1.00 0.00 H new ATOM 858 N LYS A 54 3.165 -12.971 1.942 1.00 0.00 N ATOM 859 CA LYS A 54 3.244 -14.002 0.869 1.00 0.00 C ATOM 860 C LYS A 54 1.835 -14.508 0.543 1.00 0.00 C ATOM 861 O LYS A 54 1.637 -15.261 -0.389 1.00 0.00 O ATOM 862 CB LYS A 54 4.105 -15.165 1.360 1.00 0.00 C ATOM 863 CG LYS A 54 5.543 -14.678 1.572 1.00 0.00 C ATOM 864 CD LYS A 54 6.445 -15.855 1.970 1.00 0.00 C ATOM 865 CE LYS A 54 6.140 -16.307 3.404 1.00 0.00 C ATOM 866 NZ LYS A 54 7.248 -17.178 3.893 1.00 0.00 N ATOM 0 H LYS A 54 3.581 -13.244 2.833 1.00 0.00 H new ATOM 0 HA LYS A 54 3.687 -13.570 -0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.702 -15.562 2.292 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.088 -15.977 0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.917 -14.216 0.659 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.566 -13.913 2.349 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.293 -16.686 1.281 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.492 -15.562 1.890 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.029 -15.440 4.055 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.195 -16.850 3.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.970 -17.622 4.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.445 -17.917 3.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.102 -16.603 4.040 1.00 0.00 H new ATOM 880 N ASN A 55 0.858 -14.111 1.310 1.00 0.00 N ATOM 881 CA ASN A 55 -0.535 -14.578 1.057 1.00 0.00 C ATOM 882 C ASN A 55 -1.091 -13.901 -0.206 1.00 0.00 C ATOM 883 O ASN A 55 -2.285 -13.731 -0.356 1.00 0.00 O ATOM 884 CB ASN A 55 -1.408 -14.222 2.262 1.00 0.00 C ATOM 885 CG ASN A 55 -1.018 -15.105 3.451 1.00 0.00 C ATOM 886 OD1 ASN A 55 -0.418 -16.147 3.278 1.00 0.00 O ATOM 887 ND2 ASN A 55 -1.334 -14.729 4.661 1.00 0.00 N ATOM 0 H ASN A 55 0.964 -13.480 2.105 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.537 -15.658 0.909 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.281 -13.170 2.519 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.460 -14.366 2.018 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.077 -15.310 5.459 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.838 -13.854 4.808 1.00 0.00 H new ATOM 894 N ALA A 56 -0.231 -13.521 -1.114 1.00 0.00 N ATOM 895 CA ALA A 56 -0.687 -12.863 -2.375 1.00 0.00 C ATOM 896 C ALA A 56 0.312 -13.191 -3.488 1.00 0.00 C ATOM 897 O ALA A 56 -0.062 -13.430 -4.618 1.00 0.00 O ATOM 898 CB ALA A 56 -0.738 -11.346 -2.167 1.00 0.00 C ATOM 0 H ALA A 56 0.779 -13.640 -1.035 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.679 -13.223 -2.647 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.071 -10.864 -3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.435 -11.112 -1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.255 -10.981 -1.905 1.00 0.00 H new ATOM 904 N GLU A 57 1.580 -13.200 -3.164 1.00 0.00 N ATOM 905 CA GLU A 57 2.636 -13.504 -4.174 1.00 0.00 C ATOM 906 C GLU A 57 2.543 -12.517 -5.335 1.00 0.00 C ATOM 907 O GLU A 57 2.287 -12.893 -6.461 1.00 0.00 O ATOM 908 CB GLU A 57 2.485 -14.941 -4.689 1.00 0.00 C ATOM 909 CG GLU A 57 2.821 -15.908 -3.556 1.00 0.00 C ATOM 910 CD GLU A 57 2.616 -17.349 -4.023 1.00 0.00 C ATOM 911 OE1 GLU A 57 2.248 -17.535 -5.171 1.00 0.00 O ATOM 912 OE2 GLU A 57 2.834 -18.243 -3.222 1.00 0.00 O ATOM 0 H GLU A 57 1.933 -13.006 -2.227 1.00 0.00 H new ATOM 0 HA GLU A 57 3.613 -13.406 -3.701 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.467 -15.111 -5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.148 -15.109 -5.538 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.853 -15.763 -3.237 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.189 -15.703 -2.692 1.00 0.00 H new ATOM 919 N LEU A 58 2.754 -11.250 -5.065 1.00 0.00 N ATOM 920 CA LEU A 58 2.684 -10.217 -6.146 1.00 0.00 C ATOM 921 C LEU A 58 4.111 -9.805 -6.561 1.00 0.00 C ATOM 922 O LEU A 58 5.043 -9.956 -5.795 1.00 0.00 O ATOM 923 CB LEU A 58 1.930 -8.995 -5.617 1.00 0.00 C ATOM 924 CG LEU A 58 0.684 -9.456 -4.862 1.00 0.00 C ATOM 925 CD1 LEU A 58 -0.117 -8.234 -4.419 1.00 0.00 C ATOM 926 CD2 LEU A 58 -0.178 -10.327 -5.785 1.00 0.00 C ATOM 0 H LEU A 58 2.973 -10.886 -4.137 1.00 0.00 H new ATOM 0 HA LEU A 58 2.164 -10.625 -7.013 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.574 -8.414 -4.957 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.648 -8.342 -6.443 1.00 0.00 H new ATOM 0 HG LEU A 58 0.978 -10.036 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.007 -8.558 -3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.497 -7.614 -3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.414 -7.656 -5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.067 -10.657 -5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.476 -9.747 -6.659 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.396 -11.197 -6.105 1.00 0.00 H new ATOM 938 N PRO A 59 4.290 -9.279 -7.762 1.00 0.00 N ATOM 939 CA PRO A 59 5.640 -8.838 -8.252 1.00 0.00 C ATOM 940 C PRO A 59 6.326 -7.834 -7.308 1.00 0.00 C ATOM 941 O PRO A 59 5.685 -7.064 -6.622 1.00 0.00 O ATOM 942 CB PRO A 59 5.353 -8.184 -9.618 1.00 0.00 C ATOM 943 CG PRO A 59 4.034 -8.732 -10.059 1.00 0.00 C ATOM 944 CD PRO A 59 3.245 -9.060 -8.788 1.00 0.00 C ATOM 0 HA PRO A 59 6.328 -9.681 -8.309 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.317 -7.098 -9.532 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.136 -8.421 -10.338 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.498 -8.006 -10.670 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.171 -9.624 -10.670 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.579 -8.243 -8.510 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.625 -9.946 -8.921 1.00 0.00 H new ATOM 952 N LEU A 60 7.633 -7.858 -7.267 1.00 0.00 N ATOM 953 CA LEU A 60 8.387 -6.936 -6.367 1.00 0.00 C ATOM 954 C LEU A 60 8.193 -5.484 -6.810 1.00 0.00 C ATOM 955 O LEU A 60 8.173 -5.172 -7.984 1.00 0.00 O ATOM 956 CB LEU A 60 9.873 -7.296 -6.429 1.00 0.00 C ATOM 957 CG LEU A 60 10.047 -8.790 -6.138 1.00 0.00 C ATOM 958 CD1 LEU A 60 11.528 -9.160 -6.254 1.00 0.00 C ATOM 959 CD2 LEU A 60 9.543 -9.113 -4.723 1.00 0.00 C ATOM 0 H LEU A 60 8.215 -8.483 -7.824 1.00 0.00 H new ATOM 0 HA LEU A 60 8.016 -7.041 -5.347 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.276 -7.057 -7.413 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.432 -6.705 -5.703 1.00 0.00 H new ATOM 0 HG LEU A 60 9.468 -9.366 -6.860 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.655 -10.223 -6.047 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.880 -8.942 -7.262 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.106 -8.579 -5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.671 -10.177 -4.525 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.113 -8.537 -3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.487 -8.854 -4.645 1.00 0.00 H new ATOM 971 N LEU A 61 8.043 -4.596 -5.865 1.00 0.00 N ATOM 972 CA LEU A 61 7.838 -3.158 -6.198 1.00 0.00 C ATOM 973 C LEU A 61 9.175 -2.512 -6.580 1.00 0.00 C ATOM 974 O LEU A 61 10.205 -2.804 -6.005 1.00 0.00 O ATOM 975 CB LEU A 61 7.247 -2.447 -4.973 1.00 0.00 C ATOM 976 CG LEU A 61 5.737 -2.699 -4.905 1.00 0.00 C ATOM 977 CD1 LEU A 61 5.469 -4.198 -4.744 1.00 0.00 C ATOM 978 CD2 LEU A 61 5.152 -1.949 -3.706 1.00 0.00 C ATOM 0 H LEU A 61 8.054 -4.808 -4.867 1.00 0.00 H new ATOM 0 HA LEU A 61 7.155 -3.070 -7.043 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.727 -2.810 -4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.444 -1.377 -5.032 1.00 0.00 H new ATOM 0 HG LEU A 61 5.271 -2.346 -5.825 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.394 -4.372 -4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.886 -4.736 -5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.936 -4.554 -3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.078 -2.126 -3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.623 -2.305 -2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.339 -0.881 -3.819 1.00 0.00 H new ATOM 990 N GLU A 62 9.160 -1.636 -7.552 1.00 0.00 N ATOM 991 CA GLU A 62 10.421 -0.963 -7.989 1.00 0.00 C ATOM 992 C GLU A 62 10.628 0.329 -7.192 1.00 0.00 C ATOM 993 O GLU A 62 9.690 0.949 -6.731 1.00 0.00 O ATOM 994 CB GLU A 62 10.323 -0.654 -9.480 1.00 0.00 C ATOM 995 CG GLU A 62 10.375 -1.967 -10.263 1.00 0.00 C ATOM 996 CD GLU A 62 10.183 -1.686 -11.754 1.00 0.00 C ATOM 997 OE1 GLU A 62 10.067 -0.524 -12.107 1.00 0.00 O ATOM 998 OE2 GLU A 62 10.155 -2.638 -12.516 1.00 0.00 O ATOM 0 H GLU A 62 8.324 -1.356 -8.065 1.00 0.00 H new ATOM 0 HA GLU A 62 11.272 -1.619 -7.808 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.395 -0.124 -9.695 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.141 -0.001 -9.784 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.331 -2.463 -10.097 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.598 -2.644 -9.908 1.00 0.00 H new ATOM 1005 N GLN A 63 11.861 0.714 -7.001 1.00 0.00 N ATOM 1006 CA GLN A 63 12.166 1.938 -6.202 1.00 0.00 C ATOM 1007 C GLN A 63 12.027 3.217 -7.035 1.00 0.00 C ATOM 1008 O GLN A 63 12.354 3.263 -8.203 1.00 0.00 O ATOM 1009 CB GLN A 63 13.609 1.819 -5.665 1.00 0.00 C ATOM 1010 CG GLN A 63 13.599 1.189 -4.260 1.00 0.00 C ATOM 1011 CD GLN A 63 13.368 2.276 -3.209 1.00 0.00 C ATOM 1012 OE1 GLN A 63 12.542 2.124 -2.333 1.00 0.00 O ATOM 1013 NE2 GLN A 63 14.068 3.376 -3.263 1.00 0.00 N ATOM 0 H GLN A 63 12.679 0.228 -7.368 1.00 0.00 H new ATOM 0 HA GLN A 63 11.450 2.008 -5.383 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.208 1.209 -6.341 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.074 2.804 -5.627 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.815 0.434 -4.195 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.546 0.683 -4.071 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.762 3.503 -4.000 1.00 0.00 H new ATOM 0 HE22 GLN A 63 13.921 4.109 -2.569 1.00 0.00 H new ATOM 1022 N GLY A 64 11.578 4.267 -6.401 1.00 0.00 N ATOM 1023 CA GLY A 64 11.443 5.576 -7.101 1.00 0.00 C ATOM 1024 C GLY A 64 10.308 5.524 -8.123 1.00 0.00 C ATOM 1025 O GLY A 64 10.360 6.182 -9.141 1.00 0.00 O ATOM 0 H GLY A 64 11.297 4.273 -5.420 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.250 6.365 -6.374 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.379 5.826 -7.601 1.00 0.00 H new ATOM 1029 N GLU A 65 9.283 4.748 -7.865 1.00 0.00 N ATOM 1030 CA GLU A 65 8.143 4.659 -8.834 1.00 0.00 C ATOM 1031 C GLU A 65 6.809 4.710 -8.087 1.00 0.00 C ATOM 1032 O GLU A 65 6.688 4.250 -6.965 1.00 0.00 O ATOM 1033 CB GLU A 65 8.247 3.356 -9.625 1.00 0.00 C ATOM 1034 CG GLU A 65 9.456 3.435 -10.560 1.00 0.00 C ATOM 1035 CD GLU A 65 9.563 2.144 -11.370 1.00 0.00 C ATOM 1036 OE1 GLU A 65 8.641 1.349 -11.302 1.00 0.00 O ATOM 1037 OE2 GLU A 65 10.566 1.972 -12.043 1.00 0.00 O ATOM 0 H GLU A 65 9.186 4.173 -7.028 1.00 0.00 H new ATOM 0 HA GLU A 65 8.191 5.504 -9.520 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.352 2.510 -8.945 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.336 3.191 -10.201 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.355 4.289 -11.230 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.367 3.590 -9.981 1.00 0.00 H new ATOM 1044 N SER A 66 5.811 5.278 -8.712 1.00 0.00 N ATOM 1045 CA SER A 66 4.474 5.378 -8.068 1.00 0.00 C ATOM 1046 C SER A 66 3.734 4.053 -8.216 1.00 0.00 C ATOM 1047 O SER A 66 3.914 3.333 -9.178 1.00 0.00 O ATOM 1048 CB SER A 66 3.669 6.496 -8.736 1.00 0.00 C ATOM 1049 OG SER A 66 4.117 7.750 -8.240 1.00 0.00 O ATOM 0 H SER A 66 5.868 5.679 -9.648 1.00 0.00 H new ATOM 0 HA SER A 66 4.597 5.604 -7.009 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.792 6.454 -9.818 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.606 6.368 -8.531 1.00 0.00 H new ATOM 0 HG SER A 66 3.710 7.920 -7.365 1.00 0.00 H new ATOM 1055 N TYR A 67 2.891 3.730 -7.273 1.00 0.00 N ATOM 1056 CA TYR A 67 2.125 2.456 -7.356 1.00 0.00 C ATOM 1057 C TYR A 67 0.727 2.676 -6.787 1.00 0.00 C ATOM 1058 O TYR A 67 0.543 3.384 -5.812 1.00 0.00 O ATOM 1059 CB TYR A 67 2.852 1.373 -6.547 1.00 0.00 C ATOM 1060 CG TYR A 67 3.957 0.778 -7.388 1.00 0.00 C ATOM 1061 CD1 TYR A 67 3.639 -0.098 -8.429 1.00 0.00 C ATOM 1062 CD2 TYR A 67 5.292 1.107 -7.131 1.00 0.00 C ATOM 1063 CE1 TYR A 67 4.655 -0.646 -9.216 1.00 0.00 C ATOM 1064 CE2 TYR A 67 6.310 0.559 -7.918 1.00 0.00 C ATOM 1065 CZ TYR A 67 5.992 -0.319 -8.960 1.00 0.00 C ATOM 1066 OH TYR A 67 6.994 -0.859 -9.737 1.00 0.00 O ATOM 0 H TYR A 67 2.700 4.296 -6.446 1.00 0.00 H new ATOM 0 HA TYR A 67 2.047 2.136 -8.395 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.265 1.801 -5.634 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.150 0.595 -6.246 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.608 -0.352 -8.625 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.536 1.784 -6.326 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.409 -1.322 -10.022 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.341 0.813 -7.722 1.00 0.00 H new ATOM 0 HH TYR A 67 7.167 -0.272 -10.502 1.00 0.00 H new ATOM 1076 N LEU A 68 -0.254 2.056 -7.392 1.00 0.00 N ATOM 1077 CA LEU A 68 -1.660 2.186 -6.910 1.00 0.00 C ATOM 1078 C LEU A 68 -2.071 0.859 -6.273 1.00 0.00 C ATOM 1079 O LEU A 68 -2.055 -0.177 -6.907 1.00 0.00 O ATOM 1080 CB LEU A 68 -2.565 2.520 -8.111 1.00 0.00 C ATOM 1081 CG LEU A 68 -4.044 2.286 -7.771 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -4.428 3.087 -6.529 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -4.908 2.743 -8.950 1.00 0.00 C ATOM 0 H LEU A 68 -0.137 1.458 -8.210 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.753 2.982 -6.171 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.416 3.559 -8.404 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.283 1.904 -8.965 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.204 1.225 -7.578 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.479 2.915 -6.295 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.812 2.770 -5.687 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.267 4.149 -6.717 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.960 2.580 -8.715 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.738 3.804 -9.136 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.642 2.172 -9.839 1.00 0.00 H new ATOM 1095 N LEU A 69 -2.439 0.887 -5.019 1.00 0.00 N ATOM 1096 CA LEU A 69 -2.856 -0.363 -4.320 1.00 0.00 C ATOM 1097 C LEU A 69 -4.379 -0.424 -4.262 1.00 0.00 C ATOM 1098 O LEU A 69 -5.028 0.542 -3.912 1.00 0.00 O ATOM 1099 CB LEU A 69 -2.294 -0.346 -2.900 1.00 0.00 C ATOM 1100 CG LEU A 69 -0.772 -0.169 -2.949 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -0.222 -0.114 -1.521 1.00 0.00 C ATOM 1102 CD2 LEU A 69 -0.129 -1.344 -3.703 1.00 0.00 C ATOM 0 H LEU A 69 -2.469 1.730 -4.445 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.479 -1.233 -4.857 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.746 0.465 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.546 -1.275 -2.388 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.535 0.759 -3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.860 0.012 -1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.670 0.727 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.464 -1.041 -1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.952 -1.209 -3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.365 -2.277 -3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.518 -1.380 -4.721 1.00 0.00 H new ATOM 1114 N ARG A 70 -4.951 -1.554 -4.604 1.00 0.00 N ATOM 1115 CA ARG A 70 -6.441 -1.698 -4.576 1.00 0.00 C ATOM 1116 C ARG A 70 -6.834 -2.923 -3.750 1.00 0.00 C ATOM 1117 O ARG A 70 -6.300 -4.004 -3.928 1.00 0.00 O ATOM 1118 CB ARG A 70 -6.963 -1.864 -6.004 1.00 0.00 C ATOM 1119 CG ARG A 70 -6.764 -0.555 -6.768 1.00 0.00 C ATOM 1120 CD ARG A 70 -7.271 -0.710 -8.205 1.00 0.00 C ATOM 1121 NE ARG A 70 -6.376 -1.643 -8.950 1.00 0.00 N ATOM 1122 CZ ARG A 70 -6.662 -1.987 -10.178 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -7.733 -1.517 -10.757 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -5.876 -2.802 -10.826 1.00 0.00 N ATOM 0 H ARG A 70 -4.446 -2.388 -4.903 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.876 -0.806 -4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.435 -2.675 -6.505 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.019 -2.133 -5.989 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.299 0.253 -6.269 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.709 -0.283 -6.773 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.292 -1.092 -8.203 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.295 0.261 -8.700 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.539 -2.013 -8.500 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.348 -0.880 -10.251 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.955 -1.787 -11.715 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.039 -3.170 -10.374 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.099 -3.071 -11.784 1.00 0.00 H new ATOM 1138 N SER A 71 -7.773 -2.745 -2.857 1.00 0.00 N ATOM 1139 CA SER A 71 -8.250 -3.864 -1.993 1.00 0.00 C ATOM 1140 C SER A 71 -7.221 -4.148 -0.895 1.00 0.00 C ATOM 1141 O SER A 71 -6.772 -5.266 -0.737 1.00 0.00 O ATOM 1142 CB SER A 71 -8.485 -5.126 -2.837 1.00 0.00 C ATOM 1143 OG SER A 71 -8.959 -4.749 -4.123 1.00 0.00 O ATOM 0 H SER A 71 -8.238 -1.853 -2.688 1.00 0.00 H new ATOM 0 HA SER A 71 -9.194 -3.575 -1.530 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.559 -5.693 -2.930 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.209 -5.776 -2.346 1.00 0.00 H new ATOM 0 HG SER A 71 -9.108 -5.552 -4.665 1.00 0.00 H new ATOM 1149 N VAL A 72 -6.858 -3.145 -0.127 1.00 0.00 N ATOM 1150 CA VAL A 72 -5.866 -3.348 0.983 1.00 0.00 C ATOM 1151 C VAL A 72 -6.533 -3.053 2.320 1.00 0.00 C ATOM 1152 O VAL A 72 -7.563 -2.410 2.382 1.00 0.00 O ATOM 1153 CB VAL A 72 -4.670 -2.415 0.789 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -3.854 -2.875 -0.420 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -5.160 -0.982 0.553 1.00 0.00 C ATOM 0 H VAL A 72 -7.207 -2.191 -0.221 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.518 -4.381 0.970 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.048 -2.441 1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.002 -2.210 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.498 -3.892 -0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.480 -2.852 -1.312 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.303 -0.322 0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.786 -0.954 -0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.740 -0.649 1.414 1.00 0.00 H new ATOM 1165 N VAL A 73 -5.948 -3.532 3.393 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.531 -3.311 4.754 1.00 0.00 C ATOM 1167 C VAL A 73 -5.524 -2.564 5.625 1.00 0.00 C ATOM 1168 O VAL A 73 -4.334 -2.800 5.564 1.00 0.00 O ATOM 1169 CB VAL A 73 -6.862 -4.664 5.393 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -5.584 -5.487 5.596 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -7.538 -4.424 6.742 1.00 0.00 C ATOM 0 H VAL A 73 -5.083 -4.072 3.383 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.442 -2.719 4.668 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.530 -5.218 4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.836 -6.445 6.051 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.104 -5.658 4.632 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.901 -4.944 6.250 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.777 -5.382 7.204 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.865 -3.865 7.392 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.455 -3.854 6.593 1.00 0.00 H new ATOM 1181 N VAL A 74 -5.996 -1.645 6.423 1.00 0.00 N ATOM 1182 CA VAL A 74 -5.070 -0.859 7.286 1.00 0.00 C ATOM 1183 C VAL A 74 -4.778 -1.623 8.577 1.00 0.00 C ATOM 1184 O VAL A 74 -5.665 -1.935 9.345 1.00 0.00 O ATOM 1185 CB VAL A 74 -5.723 0.483 7.615 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -4.826 1.267 8.570 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -5.907 1.277 6.320 1.00 0.00 C ATOM 0 H VAL A 74 -6.983 -1.405 6.514 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.130 -0.695 6.759 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.691 0.316 8.087 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.292 2.224 8.804 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.686 0.697 9.489 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.858 1.441 8.100 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.373 2.237 6.545 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.936 1.445 5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.544 0.716 5.637 1.00 0.00 H new ATOM 1197 N GLY A 75 -3.527 -1.924 8.817 1.00 0.00 N ATOM 1198 CA GLY A 75 -3.145 -2.668 10.054 1.00 0.00 C ATOM 1199 C GLY A 75 -2.673 -1.683 11.123 1.00 0.00 C ATOM 1200 O GLY A 75 -2.548 -0.497 10.875 1.00 0.00 O ATOM 0 H GLY A 75 -2.748 -1.684 8.204 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.996 -3.240 10.423 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.354 -3.383 9.830 1.00 0.00 H new ATOM 1204 N GLU A 76 -2.408 -2.171 12.309 1.00 0.00 N ATOM 1205 CA GLU A 76 -1.941 -1.287 13.421 1.00 0.00 C ATOM 1206 C GLU A 76 -0.495 -1.640 13.764 1.00 0.00 C ATOM 1207 O GLU A 76 -0.200 -2.755 14.144 1.00 0.00 O ATOM 1208 CB GLU A 76 -2.828 -1.521 14.645 1.00 0.00 C ATOM 1209 CG GLU A 76 -4.286 -1.181 14.295 1.00 0.00 C ATOM 1210 CD GLU A 76 -4.946 -2.371 13.588 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -4.251 -3.336 13.311 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -6.135 -2.296 13.331 1.00 0.00 O ATOM 0 H GLU A 76 -2.497 -3.156 12.557 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.999 -0.241 13.120 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.753 -2.559 14.968 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.489 -0.903 15.476 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.838 -0.934 15.202 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.319 -0.301 13.652 1.00 0.00 H new ATOM 1219 N TYR A 77 0.411 -0.701 13.631 1.00 0.00 N ATOM 1220 CA TYR A 77 1.847 -0.985 13.948 1.00 0.00 C ATOM 1221 C TYR A 77 2.453 0.179 14.734 1.00 0.00 C ATOM 1222 O TYR A 77 2.433 1.312 14.298 1.00 0.00 O ATOM 1223 CB TYR A 77 2.623 -1.186 12.646 1.00 0.00 C ATOM 1224 CG TYR A 77 4.086 -1.377 12.966 1.00 0.00 C ATOM 1225 CD1 TYR A 77 4.524 -2.580 13.532 1.00 0.00 C ATOM 1226 CD2 TYR A 77 5.003 -0.352 12.705 1.00 0.00 C ATOM 1227 CE1 TYR A 77 5.878 -2.758 13.836 1.00 0.00 C ATOM 1228 CE2 TYR A 77 6.356 -0.530 13.010 1.00 0.00 C ATOM 1229 CZ TYR A 77 6.794 -1.734 13.576 1.00 0.00 C ATOM 1230 OH TYR A 77 8.129 -1.909 13.878 1.00 0.00 O ATOM 0 H TYR A 77 0.218 0.250 13.317 1.00 0.00 H new ATOM 0 HA TYR A 77 1.908 -1.889 14.554 1.00 0.00 H new ATOM 0 HB2 TYR A 77 2.239 -2.054 12.110 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.491 -0.324 11.993 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.817 -3.371 13.734 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.665 0.576 12.268 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.216 -3.687 14.272 1.00 0.00 H new ATOM 0 HE2 TYR A 77 7.063 0.261 12.809 1.00 0.00 H new ATOM 0 HH TYR A 77 8.628 -1.102 13.634 1.00 0.00 H new ATOM 1240 N ASN A 78 3.000 -0.105 15.886 1.00 0.00 N ATOM 1241 CA ASN A 78 3.628 0.962 16.715 1.00 0.00 C ATOM 1242 C ASN A 78 2.617 2.079 16.979 1.00 0.00 C ATOM 1243 O ASN A 78 2.958 3.242 16.984 1.00 0.00 O ATOM 1244 CB ASN A 78 4.862 1.525 15.999 1.00 0.00 C ATOM 1245 CG ASN A 78 5.975 0.471 15.973 1.00 0.00 C ATOM 1246 OD1 ASN A 78 6.959 0.631 15.280 1.00 0.00 O ATOM 1247 ND2 ASN A 78 5.862 -0.612 16.699 1.00 0.00 N ATOM 0 H ASN A 78 3.038 -1.040 16.291 1.00 0.00 H new ATOM 0 HA ASN A 78 3.939 0.535 17.668 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.602 1.817 14.982 1.00 0.00 H new ATOM 0 HB3 ASN A 78 5.211 2.423 16.509 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.599 -1.317 16.681 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.037 -0.751 17.283 1.00 0.00 H new ATOM 1254 N ASP A 79 1.375 1.727 17.200 1.00 0.00 N ATOM 1255 CA ASP A 79 0.325 2.756 17.474 1.00 0.00 C ATOM 1256 C ASP A 79 0.100 3.603 16.220 1.00 0.00 C ATOM 1257 O ASP A 79 -0.768 4.453 16.184 1.00 0.00 O ATOM 1258 CB ASP A 79 0.765 3.655 18.642 1.00 0.00 C ATOM 1259 CG ASP A 79 -0.454 4.355 19.249 1.00 0.00 C ATOM 1260 OD1 ASP A 79 -1.525 4.244 18.676 1.00 0.00 O ATOM 1261 OD2 ASP A 79 -0.293 4.994 20.277 1.00 0.00 O ATOM 0 H ASP A 79 1.041 0.763 17.202 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.606 2.258 17.744 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.268 3.058 19.402 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.484 4.396 18.291 1.00 0.00 H new ATOM 1266 N ARG A 80 0.870 3.374 15.188 1.00 0.00 N ATOM 1267 CA ARG A 80 0.697 4.164 13.932 1.00 0.00 C ATOM 1268 C ARG A 80 -0.231 3.410 12.980 1.00 0.00 C ATOM 1269 O ARG A 80 -0.750 2.361 13.307 1.00 0.00 O ATOM 1270 CB ARG A 80 2.055 4.359 13.259 1.00 0.00 C ATOM 1271 CG ARG A 80 2.935 5.251 14.134 1.00 0.00 C ATOM 1272 CD ARG A 80 4.316 5.396 13.493 1.00 0.00 C ATOM 1273 NE ARG A 80 4.186 6.093 12.178 1.00 0.00 N ATOM 1274 CZ ARG A 80 4.203 7.399 12.115 1.00 0.00 C ATOM 1275 NH1 ARG A 80 4.327 8.110 13.203 1.00 0.00 N ATOM 1276 NH2 ARG A 80 4.094 7.995 10.959 1.00 0.00 N ATOM 0 H ARG A 80 1.611 2.674 15.160 1.00 0.00 H new ATOM 0 HA ARG A 80 0.266 5.135 14.174 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.538 3.394 13.104 1.00 0.00 H new ATOM 0 HB3 ARG A 80 1.924 4.812 12.276 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.473 6.231 14.252 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.029 4.821 15.131 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.977 5.960 14.152 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.768 4.414 13.353 1.00 0.00 H new ATOM 0 HE ARG A 80 4.083 5.546 11.323 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.411 7.647 14.108 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.340 9.128 13.148 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.996 7.442 10.107 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.107 9.014 10.907 1.00 0.00 H new ATOM 1290 N PHE A 81 -0.445 3.944 11.801 1.00 0.00 N ATOM 1291 CA PHE A 81 -1.345 3.279 10.808 1.00 0.00 C ATOM 1292 C PHE A 81 -0.531 2.841 9.591 1.00 0.00 C ATOM 1293 O PHE A 81 0.311 3.568 9.103 1.00 0.00 O ATOM 1294 CB PHE A 81 -2.414 4.279 10.370 1.00 0.00 C ATOM 1295 CG PHE A 81 -3.306 4.589 11.546 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -4.411 3.775 11.818 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -3.026 5.686 12.369 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -5.237 4.058 12.911 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -3.852 5.970 13.463 1.00 0.00 C ATOM 1300 CZ PHE A 81 -4.958 5.155 13.734 1.00 0.00 C ATOM 0 H PHE A 81 -0.030 4.820 11.482 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.813 2.404 11.259 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.947 5.192 10.000 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.002 3.867 9.550 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.626 2.928 11.184 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -2.172 6.314 12.160 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.090 3.430 13.120 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.636 6.817 14.097 1.00 0.00 H new ATOM 0 HZ PHE A 81 -5.596 5.373 14.578 1.00 0.00 H new ATOM 1310 N GLN A 82 -0.778 1.655 9.095 1.00 0.00 N ATOM 1311 CA GLN A 82 -0.020 1.164 7.904 1.00 0.00 C ATOM 1312 C GLN A 82 -0.947 0.349 7.006 1.00 0.00 C ATOM 1313 O GLN A 82 -1.970 -0.137 7.441 1.00 0.00 O ATOM 1314 CB GLN A 82 1.147 0.284 8.365 1.00 0.00 C ATOM 1315 CG GLN A 82 0.624 -0.902 9.182 1.00 0.00 C ATOM 1316 CD GLN A 82 1.803 -1.783 9.598 1.00 0.00 C ATOM 1317 OE1 GLN A 82 1.634 -2.954 9.873 1.00 0.00 O ATOM 1318 NE2 GLN A 82 3.000 -1.266 9.656 1.00 0.00 N ATOM 0 H GLN A 82 -1.472 1.005 9.464 1.00 0.00 H new ATOM 0 HA GLN A 82 0.366 2.017 7.347 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.703 -0.078 7.500 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.840 0.872 8.967 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.092 -0.545 10.064 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.087 -1.480 8.592 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.143 -0.283 9.425 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.793 -1.845 9.932 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.590 0.191 5.757 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.443 -0.602 4.816 1.00 0.00 C ATOM 1329 C VAL A 83 -0.795 -1.969 4.593 1.00 0.00 C ATOM 1330 O VAL A 83 0.393 -2.077 4.340 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.559 0.146 3.484 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -2.134 1.545 3.732 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -0.178 0.264 2.833 1.00 0.00 C ATOM 0 H VAL A 83 0.259 0.578 5.345 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.440 -0.737 5.236 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.222 -0.406 2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.217 2.078 2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.121 1.457 4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.474 2.096 4.402 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.266 0.797 1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.491 0.812 3.496 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.225 -0.732 2.652 1.00 0.00 H new ATOM 1343 N GLN A 84 -1.567 -3.022 4.704 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.009 -4.396 4.517 1.00 0.00 C ATOM 1345 C GLN A 84 -1.387 -4.913 3.132 1.00 0.00 C ATOM 1346 O GLN A 84 -2.544 -5.124 2.828 1.00 0.00 O ATOM 1347 CB GLN A 84 -1.590 -5.320 5.590 1.00 0.00 C ATOM 1348 CG GLN A 84 -1.060 -4.890 6.959 1.00 0.00 C ATOM 1349 CD GLN A 84 -1.626 -5.808 8.043 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -2.321 -6.758 7.750 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -1.353 -5.562 9.297 1.00 0.00 N ATOM 0 H GLN A 84 -2.564 -2.988 4.917 1.00 0.00 H new ATOM 0 HA GLN A 84 0.077 -4.371 4.605 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.679 -5.274 5.577 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.312 -6.354 5.387 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.029 -4.931 6.967 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.342 -3.857 7.161 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.769 -4.763 9.545 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.724 -6.169 10.028 1.00 0.00 H new ATOM 1360 N VAL A 85 -0.413 -5.115 2.287 1.00 0.00 N ATOM 1361 CA VAL A 85 -0.703 -5.615 0.914 1.00 0.00 C ATOM 1362 C VAL A 85 -0.712 -7.143 0.925 1.00 0.00 C ATOM 1363 O VAL A 85 0.320 -7.780 0.962 1.00 0.00 O ATOM 1364 CB VAL A 85 0.389 -5.114 -0.035 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.034 -5.366 -1.482 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.597 -3.610 0.175 1.00 0.00 C ATOM 0 H VAL A 85 0.574 -4.955 2.489 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.675 -5.252 0.581 1.00 0.00 H new ATOM 0 HB VAL A 85 1.318 -5.646 0.171 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.744 -5.009 -2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.185 -6.434 -1.636 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.963 -4.835 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.374 -3.252 -0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.334 -3.082 -0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.899 -3.425 1.206 1.00 0.00 H new ATOM 1376 N ASN A 86 -1.878 -7.736 0.891 1.00 0.00 N ATOM 1377 CA ASN A 86 -1.966 -9.226 0.894 1.00 0.00 C ATOM 1378 C ASN A 86 -3.236 -9.667 0.159 1.00 0.00 C ATOM 1379 O ASN A 86 -4.001 -8.855 -0.318 1.00 0.00 O ATOM 1380 CB ASN A 86 -1.993 -9.749 2.339 1.00 0.00 C ATOM 1381 CG ASN A 86 -3.343 -9.443 2.996 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -4.142 -10.331 3.207 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -3.629 -8.215 3.333 1.00 0.00 N ATOM 0 H ASN A 86 -2.775 -7.251 0.861 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.093 -9.636 0.386 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -1.814 -10.824 2.346 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -1.190 -9.288 2.914 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -4.524 -8.002 3.774 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.957 -7.468 3.156 1.00 0.00 H new ATOM 1390 N LYS A 87 -3.456 -10.949 0.082 1.00 0.00 N ATOM 1391 CA LYS A 87 -4.673 -11.483 -0.603 1.00 0.00 C ATOM 1392 C LYS A 87 -4.614 -11.209 -2.113 1.00 0.00 C ATOM 1393 O LYS A 87 -3.622 -11.462 -2.765 1.00 0.00 O ATOM 1394 CB LYS A 87 -5.936 -10.829 -0.010 1.00 0.00 C ATOM 1395 CG LYS A 87 -7.155 -11.731 -0.254 1.00 0.00 C ATOM 1396 CD LYS A 87 -8.383 -11.131 0.432 1.00 0.00 C ATOM 1397 CE LYS A 87 -9.579 -12.062 0.229 1.00 0.00 C ATOM 1398 NZ LYS A 87 -9.951 -12.087 -1.216 1.00 0.00 N ATOM 0 H LYS A 87 -2.838 -11.662 0.469 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.710 -12.561 -0.446 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.803 -10.664 1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.098 -9.852 -0.466 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.337 -11.832 -1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.963 -12.732 0.133 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.190 -10.995 1.496 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.600 -10.146 0.019 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.332 -13.068 0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.424 -11.721 0.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.905 -12.488 -1.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.939 -11.118 -1.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.269 -12.672 -1.740 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.686 -10.706 -2.674 1.00 0.00 N ATOM 1413 CA ASN A 88 -5.724 -10.425 -4.137 1.00 0.00 C ATOM 1414 C ASN A 88 -5.370 -8.959 -4.372 1.00 0.00 C ATOM 1415 O ASN A 88 -5.574 -8.433 -5.447 1.00 0.00 O ATOM 1416 CB ASN A 88 -7.139 -10.699 -4.664 1.00 0.00 C ATOM 1417 CG ASN A 88 -7.447 -12.199 -4.591 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -8.597 -12.592 -4.593 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -6.468 -13.061 -4.524 1.00 0.00 N ATOM 0 H ASN A 88 -6.544 -10.477 -2.172 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.010 -11.063 -4.658 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.868 -10.141 -4.077 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -7.226 -10.352 -5.694 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -6.670 -14.059 -4.474 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -5.501 -12.736 -4.522 1.00 0.00 H new ATOM 1426 N SER A 89 -4.852 -8.295 -3.367 1.00 0.00 N ATOM 1427 CA SER A 89 -4.488 -6.852 -3.513 1.00 0.00 C ATOM 1428 C SER A 89 -3.840 -6.621 -4.878 1.00 0.00 C ATOM 1429 O SER A 89 -2.741 -7.065 -5.144 1.00 0.00 O ATOM 1430 CB SER A 89 -3.514 -6.457 -2.403 1.00 0.00 C ATOM 1431 OG SER A 89 -2.305 -7.186 -2.554 1.00 0.00 O ATOM 0 H SER A 89 -4.665 -8.694 -2.447 1.00 0.00 H new ATOM 0 HA SER A 89 -5.387 -6.241 -3.437 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.313 -5.386 -2.444 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.955 -6.661 -1.427 1.00 0.00 H new ATOM 0 HG SER A 89 -2.316 -7.965 -1.959 1.00 0.00 H new ATOM 1437 N SER A 90 -4.529 -5.939 -5.748 1.00 0.00 N ATOM 1438 CA SER A 90 -3.975 -5.690 -7.107 1.00 0.00 C ATOM 1439 C SER A 90 -2.990 -4.529 -7.056 1.00 0.00 C ATOM 1440 O SER A 90 -3.112 -3.638 -6.239 1.00 0.00 O ATOM 1441 CB SER A 90 -5.123 -5.349 -8.055 1.00 0.00 C ATOM 1442 OG SER A 90 -6.150 -6.322 -7.907 1.00 0.00 O ATOM 0 H SER A 90 -5.453 -5.543 -5.577 1.00 0.00 H new ATOM 0 HA SER A 90 -3.456 -6.580 -7.462 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.511 -4.355 -7.834 1.00 0.00 H new ATOM 0 HB3 SER A 90 -4.768 -5.330 -9.085 1.00 0.00 H new ATOM 0 HG SER A 90 -6.892 -6.109 -8.511 1.00 0.00 H new ATOM 1448 N ILE A 91 -2.015 -4.528 -7.929 1.00 0.00 N ATOM 1449 CA ILE A 91 -1.010 -3.422 -7.949 1.00 0.00 C ATOM 1450 C ILE A 91 -0.825 -2.928 -9.380 1.00 0.00 C ATOM 1451 O ILE A 91 -0.646 -3.706 -10.294 1.00 0.00 O ATOM 1452 CB ILE A 91 0.322 -3.941 -7.413 1.00 0.00 C ATOM 1453 CG1 ILE A 91 0.151 -4.325 -5.942 1.00 0.00 C ATOM 1454 CG2 ILE A 91 1.382 -2.847 -7.541 1.00 0.00 C ATOM 1455 CD1 ILE A 91 1.390 -5.081 -5.458 1.00 0.00 C ATOM 0 H ILE A 91 -1.871 -5.251 -8.634 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.360 -2.600 -7.325 1.00 0.00 H new ATOM 0 HB ILE A 91 0.638 -4.814 -7.984 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.000 -3.430 -5.338 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.736 -4.946 -5.819 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.334 -3.216 -7.159 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.495 -2.570 -8.589 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.074 -1.973 -6.966 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.264 -5.353 -4.410 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.521 -5.984 -6.054 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.269 -4.445 -5.565 1.00 0.00 H new ATOM 1467 N GLU A 92 -0.862 -1.632 -9.577 1.00 0.00 N ATOM 1468 CA GLU A 92 -0.683 -1.061 -10.947 1.00 0.00 C ATOM 1469 C GLU A 92 0.402 0.011 -10.898 1.00 0.00 C ATOM 1470 O GLU A 92 0.431 0.843 -10.013 1.00 0.00 O ATOM 1471 CB GLU A 92 -2.010 -0.449 -11.411 1.00 0.00 C ATOM 1472 CG GLU A 92 -1.873 0.091 -12.839 1.00 0.00 C ATOM 1473 CD GLU A 92 -1.687 -1.070 -13.819 1.00 0.00 C ATOM 1474 OE1 GLU A 92 -1.842 -2.207 -13.402 1.00 0.00 O ATOM 1475 OE2 GLU A 92 -1.400 -0.804 -14.974 1.00 0.00 O ATOM 0 H GLU A 92 -1.010 -0.941 -8.841 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.386 -1.841 -11.647 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.799 -1.201 -11.373 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.303 0.356 -10.737 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.760 0.666 -13.106 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.023 0.770 -12.900 1.00 0.00 H new ATOM 1482 N LYS A 93 1.301 -0.013 -11.842 1.00 0.00 N ATOM 1483 CA LYS A 93 2.401 0.990 -11.861 1.00 0.00 C ATOM 1484 C LYS A 93 1.939 2.268 -12.555 1.00 0.00 C ATOM 1485 O LYS A 93 1.385 2.237 -13.635 1.00 0.00 O ATOM 1486 CB LYS A 93 3.588 0.406 -12.618 1.00 0.00 C ATOM 1487 CG LYS A 93 4.756 1.390 -12.562 1.00 0.00 C ATOM 1488 CD LYS A 93 6.007 0.746 -13.171 1.00 0.00 C ATOM 1489 CE LYS A 93 5.892 0.696 -14.700 1.00 0.00 C ATOM 1490 NZ LYS A 93 7.216 0.332 -15.281 1.00 0.00 N ATOM 0 H LYS A 93 1.321 -0.689 -12.606 1.00 0.00 H new ATOM 0 HA LYS A 93 2.688 1.229 -10.837 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.880 -0.548 -12.179 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.312 0.210 -13.654 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.503 2.300 -13.106 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.951 1.679 -11.529 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.892 1.314 -12.885 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.134 -0.262 -12.776 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.139 -0.034 -14.996 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.567 1.663 -15.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.142 0.297 -16.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.923 1.045 -15.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.508 -0.600 -14.923 1.00 0.00 H new ATOM 1504 N LEU A 94 2.169 3.396 -11.939 1.00 0.00 N ATOM 1505 CA LEU A 94 1.751 4.692 -12.547 1.00 0.00 C ATOM 1506 C LEU A 94 2.951 5.351 -13.224 1.00 0.00 C ATOM 1507 O LEU A 94 4.021 5.460 -12.660 1.00 0.00 O ATOM 1508 CB LEU A 94 1.206 5.605 -11.440 1.00 0.00 C ATOM 1509 CG LEU A 94 -0.268 5.262 -11.149 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -1.174 5.687 -12.327 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -0.399 3.752 -10.908 1.00 0.00 C ATOM 0 H LEU A 94 2.632 3.476 -11.034 1.00 0.00 H new ATOM 0 HA LEU A 94 0.976 4.521 -13.294 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.801 5.486 -10.534 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.292 6.648 -11.743 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.587 5.806 -10.260 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.210 5.435 -12.099 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.088 6.762 -12.482 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.864 5.164 -13.232 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.441 3.505 -10.702 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.067 3.212 -11.795 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.217 3.465 -10.056 1.00 0.00 H new ATOM 1523 N SER A 95 2.769 5.795 -14.434 1.00 0.00 N ATOM 1524 CA SER A 95 3.877 6.457 -15.166 1.00 0.00 C ATOM 1525 C SER A 95 3.918 7.930 -14.764 1.00 0.00 C ATOM 1526 O SER A 95 4.539 8.743 -15.417 1.00 0.00 O ATOM 1527 CB SER A 95 3.634 6.332 -16.669 1.00 0.00 C ATOM 1528 OG SER A 95 3.688 4.959 -17.036 1.00 0.00 O ATOM 0 H SER A 95 1.892 5.726 -14.950 1.00 0.00 H new ATOM 0 HA SER A 95 4.828 5.985 -14.920 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.663 6.753 -16.929 1.00 0.00 H new ATOM 0 HB3 SER A 95 4.385 6.898 -17.220 1.00 0.00 H new ATOM 0 HG SER A 95 3.531 4.871 -17.999 1.00 0.00 H new ATOM 1534 N GLU A 96 3.253 8.271 -13.683 1.00 0.00 N ATOM 1535 CA GLU A 96 3.239 9.688 -13.198 1.00 0.00 C ATOM 1536 C GLU A 96 3.875 9.735 -11.801 1.00 0.00 C ATOM 1537 O GLU A 96 3.190 9.607 -10.805 1.00 0.00 O ATOM 1538 CB GLU A 96 1.789 10.175 -13.100 1.00 0.00 C ATOM 1539 CG GLU A 96 1.775 11.687 -12.845 1.00 0.00 C ATOM 1540 CD GLU A 96 2.102 12.430 -14.142 1.00 0.00 C ATOM 1541 OE1 GLU A 96 1.506 12.101 -15.155 1.00 0.00 O ATOM 1542 OE2 GLU A 96 2.943 13.312 -14.101 1.00 0.00 O ATOM 0 H GLU A 96 2.714 7.620 -13.111 1.00 0.00 H new ATOM 0 HA GLU A 96 3.794 10.323 -13.888 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.254 9.946 -14.021 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.273 9.654 -12.293 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.797 11.994 -12.475 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.502 11.943 -12.074 1.00 0.00 H new ATOM 1549 N PRO A 97 5.171 9.925 -11.722 1.00 0.00 N ATOM 1550 CA PRO A 97 5.897 9.996 -10.414 1.00 0.00 C ATOM 1551 C PRO A 97 5.348 11.102 -9.506 1.00 0.00 C ATOM 1552 O PRO A 97 4.947 12.150 -9.967 1.00 0.00 O ATOM 1553 CB PRO A 97 7.356 10.291 -10.819 1.00 0.00 C ATOM 1554 CG PRO A 97 7.464 9.844 -12.242 1.00 0.00 C ATOM 1555 CD PRO A 97 6.090 10.078 -12.861 1.00 0.00 C ATOM 0 HA PRO A 97 5.788 9.078 -9.837 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.585 11.352 -10.721 1.00 0.00 H new ATOM 0 HB3 PRO A 97 8.058 9.753 -10.182 1.00 0.00 H new ATOM 0 HG2 PRO A 97 8.232 10.409 -12.771 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.744 8.792 -12.301 1.00 0.00 H new ATOM 0 HD2 PRO A 97 6.014 11.069 -13.308 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.876 9.356 -13.649 1.00 0.00 H new ATOM 1563 N ILE A 98 5.327 10.868 -8.215 1.00 0.00 N ATOM 1564 CA ILE A 98 4.802 11.897 -7.262 1.00 0.00 C ATOM 1565 C ILE A 98 5.964 12.546 -6.510 1.00 0.00 C ATOM 1566 O ILE A 98 6.761 11.882 -5.881 1.00 0.00 O ATOM 1567 CB ILE A 98 3.859 11.222 -6.268 1.00 0.00 C ATOM 1568 CG1 ILE A 98 2.689 10.599 -7.036 1.00 0.00 C ATOM 1569 CG2 ILE A 98 3.331 12.265 -5.286 1.00 0.00 C ATOM 1570 CD1 ILE A 98 1.850 9.736 -6.091 1.00 0.00 C ATOM 0 H ILE A 98 5.652 10.005 -7.779 1.00 0.00 H new ATOM 0 HA ILE A 98 4.263 12.666 -7.815 1.00 0.00 H new ATOM 0 HB ILE A 98 4.391 10.446 -5.718 1.00 0.00 H new ATOM 0 HG12 ILE A 98 2.070 11.383 -7.473 1.00 0.00 H new ATOM 0 HG13 ILE A 98 3.065 9.993 -7.860 1.00 0.00 H new ATOM 0 HG21 ILE A 98 2.657 11.787 -4.575 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.166 12.715 -4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.792 13.039 -5.832 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.019 9.295 -6.642 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.471 8.943 -5.675 1.00 0.00 H new ATOM 0 HD13 ILE A 98 1.461 10.355 -5.282 1.00 0.00 H new ATOM 1582 N GLU A 99 6.066 13.847 -6.583 1.00 0.00 N ATOM 1583 CA GLU A 99 7.178 14.558 -5.887 1.00 0.00 C ATOM 1584 C GLU A 99 6.745 14.921 -4.468 1.00 0.00 C ATOM 1585 O GLU A 99 5.671 15.440 -4.247 1.00 0.00 O ATOM 1586 CB GLU A 99 7.519 15.828 -6.661 1.00 0.00 C ATOM 1587 CG GLU A 99 8.123 15.471 -8.030 1.00 0.00 C ATOM 1588 CD GLU A 99 7.004 15.135 -9.022 1.00 0.00 C ATOM 1589 OE1 GLU A 99 5.856 15.112 -8.611 1.00 0.00 O ATOM 1590 OE2 GLU A 99 7.315 14.925 -10.183 1.00 0.00 O ATOM 0 H GLU A 99 5.424 14.450 -7.097 1.00 0.00 H new ATOM 0 HA GLU A 99 8.055 13.912 -5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.621 16.431 -6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.225 16.432 -6.090 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.715 16.306 -8.405 1.00 0.00 H new ATOM 0 HG3 GLU A 99 8.798 14.622 -7.929 1.00 0.00 H new ATOM 1597 N VAL A 100 7.578 14.645 -3.502 1.00 0.00 N ATOM 1598 CA VAL A 100 7.223 14.968 -2.094 1.00 0.00 C ATOM 1599 C VAL A 100 7.674 16.400 -1.774 1.00 0.00 C ATOM 1600 O VAL A 100 8.440 16.632 -0.860 1.00 0.00 O ATOM 1601 CB VAL A 100 7.933 13.976 -1.173 1.00 0.00 C ATOM 1602 CG1 VAL A 100 7.341 14.062 0.233 1.00 0.00 C ATOM 1603 CG2 VAL A 100 7.741 12.557 -1.720 1.00 0.00 C ATOM 0 H VAL A 100 8.491 14.209 -3.629 1.00 0.00 H new ATOM 0 HA VAL A 100 6.145 14.896 -1.948 1.00 0.00 H new ATOM 0 HB VAL A 100 8.995 14.216 -1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.850 13.353 0.886 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.472 15.072 0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.278 13.822 0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.245 11.844 -1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.677 12.323 -1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 100 8.164 12.493 -2.723 1.00 0.00 H new ATOM 1613 N GLY A 101 7.191 17.360 -2.521 1.00 0.00 N ATOM 1614 CA GLY A 101 7.572 18.782 -2.268 1.00 0.00 C ATOM 1615 C GLY A 101 8.993 19.041 -2.776 1.00 0.00 C ATOM 1616 O GLY A 101 9.598 20.047 -2.467 1.00 0.00 O ATOM 0 H GLY A 101 6.546 17.219 -3.299 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.871 19.450 -2.768 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.513 18.999 -1.201 1.00 0.00 H new ATOM 1620 N LEU A 102 9.530 18.145 -3.553 1.00 0.00 N ATOM 1621 CA LEU A 102 10.910 18.345 -4.077 1.00 0.00 C ATOM 1622 C LEU A 102 10.937 19.573 -4.987 1.00 0.00 C ATOM 1623 O LEU A 102 11.857 20.365 -4.950 1.00 0.00 O ATOM 1624 CB LEU A 102 11.317 17.104 -4.880 1.00 0.00 C ATOM 1625 CG LEU A 102 11.777 15.986 -3.932 1.00 0.00 C ATOM 1626 CD1 LEU A 102 13.127 16.342 -3.270 1.00 0.00 C ATOM 1627 CD2 LEU A 102 10.706 15.766 -2.854 1.00 0.00 C ATOM 0 H LEU A 102 9.074 17.282 -3.849 1.00 0.00 H new ATOM 0 HA LEU A 102 11.604 18.496 -3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.476 16.758 -5.480 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.120 17.357 -5.572 1.00 0.00 H new ATOM 0 HG LEU A 102 11.915 15.071 -4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 102 13.430 15.534 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.885 16.480 -4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.020 17.263 -2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.027 14.973 -2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.563 16.688 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.767 15.481 -3.327 1.00 0.00 H new ATOM 1639 N GLU A 103 9.942 19.729 -5.817 1.00 0.00 N ATOM 1640 CA GLU A 103 9.916 20.899 -6.742 1.00 0.00 C ATOM 1641 C GLU A 103 9.149 22.055 -6.099 1.00 0.00 C ATOM 1642 O GLU A 103 7.943 22.017 -5.960 1.00 0.00 O ATOM 1643 CB GLU A 103 9.242 20.478 -8.049 1.00 0.00 C ATOM 1644 CG GLU A 103 10.155 19.489 -8.782 1.00 0.00 C ATOM 1645 CD GLU A 103 9.470 19.000 -10.059 1.00 0.00 C ATOM 1646 OE1 GLU A 103 8.359 19.433 -10.317 1.00 0.00 O ATOM 1647 OE2 GLU A 103 10.070 18.199 -10.759 1.00 0.00 O ATOM 0 H GLU A 103 9.145 19.097 -5.895 1.00 0.00 H new ATOM 0 HA GLU A 103 10.933 21.233 -6.947 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.276 20.018 -7.844 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.053 21.351 -8.674 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.103 19.968 -9.027 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.384 18.643 -8.134 1.00 0.00 H new ATOM 1654 N HIS A 104 9.851 23.087 -5.711 1.00 0.00 N ATOM 1655 CA HIS A 104 9.187 24.264 -5.081 1.00 0.00 C ATOM 1656 C HIS A 104 8.714 25.218 -6.177 1.00 0.00 C ATOM 1657 O HIS A 104 7.901 26.090 -5.950 1.00 0.00 O ATOM 1658 CB HIS A 104 10.182 24.978 -4.165 1.00 0.00 C ATOM 1659 CG HIS A 104 11.502 25.134 -4.874 1.00 0.00 C ATOM 1660 ND1 HIS A 104 12.289 24.047 -5.223 1.00 0.00 N ATOM 1661 CD2 HIS A 104 12.190 26.245 -5.295 1.00 0.00 C ATOM 1662 CE1 HIS A 104 13.395 24.524 -5.825 1.00 0.00 C ATOM 1663 NE2 HIS A 104 13.385 25.857 -5.894 1.00 0.00 N ATOM 0 H HIS A 104 10.864 23.165 -5.805 1.00 0.00 H new ATOM 0 HA HIS A 104 8.331 23.935 -4.492 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.793 25.956 -3.881 1.00 0.00 H new ATOM 0 HB3 HIS A 104 10.317 24.409 -3.245 1.00 0.00 H new ATOM 0 HD2 HIS A 104 11.855 27.265 -5.179 1.00 0.00 H new ATOM 0 HE1 HIS A 104 14.193 23.904 -6.206 1.00 0.00 H new ATOM 0 HE2 HIS A 104 14.100 26.462 -6.299 1.00 0.00 H new ATOM 1671 N HIS A 105 9.221 25.051 -7.369 1.00 0.00 N ATOM 1672 CA HIS A 105 8.809 25.935 -8.498 1.00 0.00 C ATOM 1673 C HIS A 105 7.687 25.247 -9.274 1.00 0.00 C ATOM 1674 O HIS A 105 7.353 25.626 -10.378 1.00 0.00 O ATOM 1675 CB HIS A 105 10.013 26.180 -9.412 1.00 0.00 C ATOM 1676 CG HIS A 105 11.070 26.937 -8.650 1.00 0.00 C ATOM 1677 ND1 HIS A 105 10.868 28.230 -8.193 1.00 0.00 N ATOM 1678 CD2 HIS A 105 12.339 26.594 -8.253 1.00 0.00 C ATOM 1679 CE1 HIS A 105 11.989 28.616 -7.554 1.00 0.00 C ATOM 1680 NE2 HIS A 105 12.918 27.655 -7.562 1.00 0.00 N ATOM 0 H HIS A 105 9.907 24.336 -7.611 1.00 0.00 H new ATOM 0 HA HIS A 105 8.453 26.893 -8.120 1.00 0.00 H new ATOM 0 HB2 HIS A 105 10.414 25.231 -9.767 1.00 0.00 H new ATOM 0 HB3 HIS A 105 9.707 26.746 -10.292 1.00 0.00 H new ATOM 0 HD1 HIS A 105 10.023 28.788 -8.318 1.00 0.00 H new ATOM 0 HD2 HIS A 105 12.816 25.645 -8.447 1.00 0.00 H new ATOM 0 HE1 HIS A 105 12.121 29.583 -7.092 1.00 0.00 H new ATOM 1688 N HIS A 106 7.105 24.233 -8.695 1.00 0.00 N ATOM 1689 CA HIS A 106 6.001 23.508 -9.377 1.00 0.00 C ATOM 1690 C HIS A 106 4.856 24.481 -9.655 1.00 0.00 C ATOM 1691 O HIS A 106 4.300 24.509 -10.735 1.00 0.00 O ATOM 1692 CB HIS A 106 5.502 22.391 -8.456 1.00 0.00 C ATOM 1693 CG HIS A 106 4.463 21.570 -9.168 1.00 0.00 C ATOM 1694 ND1 HIS A 106 4.741 20.881 -10.335 1.00 0.00 N ATOM 1695 CD2 HIS A 106 3.144 21.312 -8.885 1.00 0.00 C ATOM 1696 CE1 HIS A 106 3.616 20.246 -10.710 1.00 0.00 C ATOM 1697 NE2 HIS A 106 2.612 20.475 -9.861 1.00 0.00 N ATOM 0 H HIS A 106 7.350 23.875 -7.772 1.00 0.00 H new ATOM 0 HA HIS A 106 6.357 23.085 -10.317 1.00 0.00 H new ATOM 0 HB2 HIS A 106 6.335 21.757 -8.154 1.00 0.00 H new ATOM 0 HB3 HIS A 106 5.080 22.818 -7.546 1.00 0.00 H new ATOM 0 HD2 HIS A 106 2.602 21.700 -8.035 1.00 0.00 H new ATOM 0 HE1 HIS A 106 3.535 19.626 -11.591 1.00 0.00 H new ATOM 0 HE2 HIS A 106 1.660 20.114 -9.916 1.00 0.00 H new ATOM 1705 N HIS A 107 4.498 25.279 -8.684 1.00 0.00 N ATOM 1706 CA HIS A 107 3.385 26.254 -8.879 1.00 0.00 C ATOM 1707 C HIS A 107 2.183 25.546 -9.513 1.00 0.00 C ATOM 1708 O HIS A 107 1.245 26.184 -9.949 1.00 0.00 O ATOM 1709 CB HIS A 107 3.857 27.401 -9.778 1.00 0.00 C ATOM 1710 CG HIS A 107 4.787 28.295 -9.001 1.00 0.00 C ATOM 1711 ND1 HIS A 107 6.143 28.033 -8.879 1.00 0.00 N ATOM 1712 CD2 HIS A 107 4.565 29.451 -8.291 1.00 0.00 C ATOM 1713 CE1 HIS A 107 6.679 29.010 -8.122 1.00 0.00 C ATOM 1714 NE2 HIS A 107 5.761 29.899 -7.738 1.00 0.00 N ATOM 0 H HIS A 107 4.930 25.297 -7.760 1.00 0.00 H new ATOM 0 HA HIS A 107 3.086 26.661 -7.913 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.366 27.004 -10.656 1.00 0.00 H new ATOM 0 HB3 HIS A 107 3.001 27.972 -10.137 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.607 29.938 -8.179 1.00 0.00 H new ATOM 0 HE1 HIS A 107 7.725 29.067 -7.858 1.00 0.00 H new ATOM 0 HE2 HIS A 107 5.905 30.729 -7.163 1.00 0.00 H new ATOM 1722 N HIS A 108 2.207 24.232 -9.560 1.00 0.00 N ATOM 1723 CA HIS A 108 1.075 23.453 -10.159 1.00 0.00 C ATOM 1724 C HIS A 108 0.500 24.193 -11.372 1.00 0.00 C ATOM 1725 O HIS A 108 -0.681 24.131 -11.651 1.00 0.00 O ATOM 1726 CB HIS A 108 -0.009 23.234 -9.098 1.00 0.00 C ATOM 1727 CG HIS A 108 -0.665 24.541 -8.750 1.00 0.00 C ATOM 1728 ND1 HIS A 108 -0.089 25.447 -7.873 1.00 0.00 N ATOM 1729 CD2 HIS A 108 -1.855 25.102 -9.140 1.00 0.00 C ATOM 1730 CE1 HIS A 108 -0.927 26.494 -7.764 1.00 0.00 C ATOM 1731 NE2 HIS A 108 -2.019 26.335 -8.518 1.00 0.00 N ATOM 0 H HIS A 108 2.973 23.661 -9.204 1.00 0.00 H new ATOM 0 HA HIS A 108 1.444 22.485 -10.498 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -0.755 22.532 -9.469 1.00 0.00 H new ATOM 0 HB3 HIS A 108 0.430 22.790 -8.205 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -2.558 24.654 -9.826 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -0.740 27.358 -7.143 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -2.804 26.979 -8.616 1.00 0.00 H new ATOM 1739 N HIS A 109 1.336 24.893 -12.089 1.00 0.00 N ATOM 1740 CA HIS A 109 0.863 25.644 -13.284 1.00 0.00 C ATOM 1741 C HIS A 109 0.652 24.676 -14.449 1.00 0.00 C ATOM 1742 O HIS A 109 -0.376 24.018 -14.469 1.00 0.00 O ATOM 1743 CB HIS A 109 1.921 26.677 -13.670 1.00 0.00 C ATOM 1744 CG HIS A 109 1.374 27.582 -14.738 1.00 0.00 C ATOM 1745 ND1 HIS A 109 1.399 27.239 -16.081 1.00 0.00 N ATOM 1746 CD2 HIS A 109 0.785 28.821 -14.677 1.00 0.00 C ATOM 1747 CE1 HIS A 109 0.839 28.252 -16.767 1.00 0.00 C ATOM 1748 NE2 HIS A 109 0.448 29.242 -15.959 1.00 0.00 N ATOM 1749 OXT HIS A 109 1.520 24.609 -15.303 1.00 0.00 O ATOM 0 H HIS A 109 2.334 24.977 -11.896 1.00 0.00 H new ATOM 0 HA HIS A 109 -0.079 26.143 -13.055 1.00 0.00 H new ATOM 0 HB2 HIS A 109 2.209 27.261 -12.796 1.00 0.00 H new ATOM 0 HB3 HIS A 109 2.820 26.176 -14.029 1.00 0.00 H new ATOM 0 HD1 HIS A 109 1.773 26.377 -16.477 1.00 0.00 H new ATOM 0 HD2 HIS A 109 0.610 29.383 -13.771 1.00 0.00 H new ATOM 0 HE1 HIS A 109 0.720 28.264 -17.840 1.00 0.00 H new TER 1757 HIS A 109