USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1075 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 126 HIS : no HD1:sc= -3.24! C(o=-3.1!,f=-4.6!) USER MOD Set 1.2: A 130 ASN : amide:sc= 0.147 K(o=-3.1,f=-3.6) USER MOD Set 2.1: A 61 THR OG1 : rot 180:sc= -0.41 USER MOD Set 2.2: A 70 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 27 SER OG : rot 46:sc= -0.394 USER MOD Set 3.2: A 37 ASN : amide:sc= -1.49 K(o=-1.9,f=-11!) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0415 (180deg=-0.331) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0382 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.198 K(o=-0.2,f=-1.9!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.73 USER MOD Single : A 26 THR OG1 : rot -100:sc= 1.17 USER MOD Single : A 35 MET CE :methyl -175:sc= -1.57 (180deg=-1.62) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.254 K(o=-0.25,f=-2.6!) USER MOD Single : A 46 HIS : no HD1:sc= -0.931 K(o=-0.93,f=-0.2) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot -73:sc= 1.53 USER MOD Single : A 56 SER OG : rot 170:sc= -0.237 USER MOD Single : A 58 CYS SG : rot 50:sc= -1.13 USER MOD Single : A 59 GLN : amide:sc= 0.486 X(o=0.49,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -70:sc= 0.507 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.864 K(o=-0.86,f=-1.4) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.444 K(o=-0.44,f=-2.9!) USER MOD Single : A 91 THR OG1 : rot 87:sc= 1.34 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0736 USER MOD Single : A 97 HIS : no HE2:sc= -1.01 K(o=-1,f=-2.5!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= -0.0994 X(o=-0.099,f=0) USER MOD Single : A 105 THR OG1 : rot 45:sc= 0.365 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= -0.157 USER MOD Single : A 118 HIS : no HD1:sc= -0.372 K(o=-0.37,f=-3.7!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc=-0.00672 X(o=-0.0067,f=0.054) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.800 20.438 -15.599 1.00 0.00 N ATOM 2 CA MET A 1 -9.632 19.254 -14.773 1.00 0.00 C ATOM 3 C MET A 1 -8.651 18.272 -15.416 1.00 0.00 C ATOM 4 O MET A 1 -7.644 17.909 -14.811 1.00 0.00 O ATOM 5 CB MET A 1 -10.987 18.571 -14.580 1.00 0.00 C ATOM 6 CG MET A 1 -11.466 18.701 -13.133 1.00 0.00 C ATOM 7 SD MET A 1 -10.817 17.359 -12.151 1.00 0.00 S ATOM 8 CE MET A 1 -9.570 18.232 -11.218 1.00 0.00 C ATOM 0 H1 MET A 1 -10.470 21.088 -15.141 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.882 20.913 -15.716 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.168 20.161 -16.531 1.00 0.00 H new ATOM 0 HA MET A 1 -9.229 19.560 -13.808 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.721 19.016 -15.251 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.908 17.517 -14.847 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.142 19.656 -12.718 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.555 18.693 -13.100 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.263 17.627 -10.365 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.707 18.425 -11.855 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.977 19.179 -10.863 1.00 0.00 H new ATOM 18 N THR A 2 -8.980 17.870 -16.635 1.00 0.00 N ATOM 19 CA THR A 2 -8.141 16.936 -17.367 1.00 0.00 C ATOM 20 C THR A 2 -7.800 15.727 -16.494 1.00 0.00 C ATOM 21 O THR A 2 -8.289 15.610 -15.371 1.00 0.00 O ATOM 22 CB THR A 2 -6.908 17.696 -17.861 1.00 0.00 C ATOM 23 OG1 THR A 2 -6.238 16.762 -18.702 1.00 0.00 O ATOM 24 CG2 THR A 2 -5.904 17.974 -16.740 1.00 0.00 C ATOM 0 H THR A 2 -9.816 18.174 -17.134 1.00 0.00 H new ATOM 0 HA THR A 2 -8.662 16.533 -18.235 1.00 0.00 H new ATOM 0 HB THR A 2 -7.219 18.638 -18.312 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.427 17.174 -19.067 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.048 18.515 -17.144 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.381 18.575 -15.965 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.567 17.030 -16.311 1.00 0.00 H new ATOM 32 N ARG A 3 -6.963 14.859 -17.042 1.00 0.00 N ATOM 33 CA ARG A 3 -6.552 13.663 -16.327 1.00 0.00 C ATOM 34 C ARG A 3 -6.340 13.977 -14.844 1.00 0.00 C ATOM 35 O ARG A 3 -6.017 15.108 -14.486 1.00 0.00 O ATOM 36 CB ARG A 3 -5.257 13.091 -16.909 1.00 0.00 C ATOM 37 CG ARG A 3 -5.387 11.587 -17.161 1.00 0.00 C ATOM 38 CD ARG A 3 -4.922 11.226 -18.573 1.00 0.00 C ATOM 39 NE ARG A 3 -4.609 9.781 -18.649 1.00 0.00 N ATOM 40 CZ ARG A 3 -4.571 9.080 -19.790 1.00 0.00 C ATOM 41 NH1 ARG A 3 -4.826 9.686 -20.958 1.00 0.00 N ATOM 42 NH2 ARG A 3 -4.279 7.772 -19.763 1.00 0.00 N ATOM 0 H ARG A 3 -6.558 14.960 -17.973 1.00 0.00 H new ATOM 0 HA ARG A 3 -7.345 12.923 -16.436 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.017 13.600 -17.842 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.431 13.278 -16.222 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -4.795 11.039 -16.428 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.424 11.280 -17.026 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.698 11.477 -19.296 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -4.041 11.812 -18.836 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.410 9.288 -17.778 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -5.049 10.681 -20.978 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.797 9.152 -21.827 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.086 7.311 -18.874 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -4.250 7.238 -20.632 1.00 0.00 H new ATOM 56 N LEU A 4 -6.532 12.956 -14.022 1.00 0.00 N ATOM 57 CA LEU A 4 -6.366 13.109 -12.587 1.00 0.00 C ATOM 58 C LEU A 4 -4.909 12.830 -12.213 1.00 0.00 C ATOM 59 O LEU A 4 -4.210 12.109 -12.923 1.00 0.00 O ATOM 60 CB LEU A 4 -7.372 12.234 -11.835 1.00 0.00 C ATOM 61 CG LEU A 4 -8.812 12.274 -12.350 1.00 0.00 C ATOM 62 CD1 LEU A 4 -9.496 10.917 -12.172 1.00 0.00 C ATOM 63 CD2 LEU A 4 -9.600 13.405 -11.685 1.00 0.00 C ATOM 0 H LEU A 4 -6.801 12.019 -14.323 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.582 14.134 -12.286 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.023 11.202 -11.870 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.373 12.535 -10.787 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.787 12.484 -13.419 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.518 10.973 -12.546 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.947 10.157 -12.728 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.511 10.653 -11.115 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.620 13.412 -12.068 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.619 13.250 -10.606 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.123 14.360 -11.906 1.00 0.00 H new ATOM 75 N PRO A 5 -4.483 13.433 -11.071 1.00 0.00 N ATOM 76 CA PRO A 5 -3.122 13.257 -10.594 1.00 0.00 C ATOM 77 C PRO A 5 -2.932 11.871 -9.975 1.00 0.00 C ATOM 78 O PRO A 5 -3.907 11.182 -9.678 1.00 0.00 O ATOM 79 CB PRO A 5 -2.904 14.387 -9.601 1.00 0.00 C ATOM 80 CG PRO A 5 -4.291 14.872 -9.210 1.00 0.00 C ATOM 81 CD PRO A 5 -5.284 14.294 -10.205 1.00 0.00 C ATOM 0 HA PRO A 5 -2.386 13.303 -11.397 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.352 14.039 -8.728 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.320 15.192 -10.047 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.536 14.553 -8.197 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.331 15.961 -9.219 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.067 13.729 -9.700 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -5.777 15.081 -10.776 1.00 0.00 H new ATOM 89 N ASP A 6 -1.671 11.504 -9.799 1.00 0.00 N ATOM 90 CA ASP A 6 -1.342 10.213 -9.220 1.00 0.00 C ATOM 91 C ASP A 6 -1.627 10.244 -7.718 1.00 0.00 C ATOM 92 O ASP A 6 -1.375 11.250 -7.055 1.00 0.00 O ATOM 93 CB ASP A 6 0.140 9.885 -9.413 1.00 0.00 C ATOM 94 CG ASP A 6 0.650 10.015 -10.850 1.00 0.00 C ATOM 95 OD1 ASP A 6 -0.207 9.991 -11.760 1.00 0.00 O ATOM 96 OD2 ASP A 6 1.884 10.135 -11.006 1.00 0.00 O ATOM 0 H ASP A 6 -0.865 12.078 -10.047 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.948 9.456 -9.719 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.728 10.543 -8.774 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.318 8.866 -9.071 1.00 0.00 H new ATOM 101 N ILE A 7 -2.149 9.132 -7.224 1.00 0.00 N ATOM 102 CA ILE A 7 -2.472 9.019 -5.811 1.00 0.00 C ATOM 103 C ILE A 7 -1.199 8.696 -5.026 1.00 0.00 C ATOM 104 O ILE A 7 -1.069 7.608 -4.468 1.00 0.00 O ATOM 105 CB ILE A 7 -3.599 8.006 -5.598 1.00 0.00 C ATOM 106 CG1 ILE A 7 -4.782 8.300 -6.524 1.00 0.00 C ATOM 107 CG2 ILE A 7 -4.020 7.956 -4.128 1.00 0.00 C ATOM 108 CD1 ILE A 7 -5.928 7.317 -6.276 1.00 0.00 C ATOM 0 H ILE A 7 -2.357 8.300 -7.777 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.851 9.967 -5.430 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.224 7.017 -5.859 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.131 9.320 -6.362 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.460 8.235 -7.563 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.822 7.229 -4.004 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.167 7.664 -3.515 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.371 8.940 -3.816 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.756 7.547 -6.946 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.582 6.300 -6.462 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.263 7.402 -5.242 1.00 0.00 H new ATOM 120 N LYS A 8 -0.293 9.662 -5.008 1.00 0.00 N ATOM 121 CA LYS A 8 0.965 9.495 -4.300 1.00 0.00 C ATOM 122 C LYS A 8 0.864 10.157 -2.925 1.00 0.00 C ATOM 123 O LYS A 8 0.599 11.355 -2.826 1.00 0.00 O ATOM 124 CB LYS A 8 2.130 10.012 -5.147 1.00 0.00 C ATOM 125 CG LYS A 8 3.383 10.212 -4.293 1.00 0.00 C ATOM 126 CD LYS A 8 4.478 10.929 -5.085 1.00 0.00 C ATOM 127 CE LYS A 8 5.828 10.824 -4.373 1.00 0.00 C ATOM 128 NZ LYS A 8 6.673 11.998 -4.688 1.00 0.00 N ATOM 0 H LYS A 8 -0.405 10.563 -5.472 1.00 0.00 H new ATOM 0 HA LYS A 8 1.169 8.438 -4.131 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.342 9.306 -5.950 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.852 10.955 -5.617 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.133 10.792 -3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.751 9.245 -3.950 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.554 10.495 -6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.211 11.978 -5.213 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.674 10.758 -3.296 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.337 9.910 -4.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.586 11.911 -4.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.835 12.044 -5.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.193 12.866 -4.375 1.00 0.00 H new ATOM 142 N LYS A 9 1.080 9.350 -1.897 1.00 0.00 N ATOM 143 CA LYS A 9 1.016 9.842 -0.531 1.00 0.00 C ATOM 144 C LYS A 9 2.309 9.475 0.200 1.00 0.00 C ATOM 145 O LYS A 9 3.062 8.616 -0.256 1.00 0.00 O ATOM 146 CB LYS A 9 -0.249 9.334 0.163 1.00 0.00 C ATOM 147 CG LYS A 9 -1.504 9.783 -0.587 1.00 0.00 C ATOM 148 CD LYS A 9 -1.994 11.138 -0.074 1.00 0.00 C ATOM 149 CE LYS A 9 -3.434 11.404 -0.517 1.00 0.00 C ATOM 150 NZ LYS A 9 -3.876 12.743 -0.066 1.00 0.00 N ATOM 0 H LYS A 9 1.300 8.358 -1.983 1.00 0.00 H new ATOM 0 HA LYS A 9 0.942 10.929 -0.521 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.225 8.246 0.220 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.281 9.706 1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.290 9.850 -1.654 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.290 9.038 -0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.934 11.162 1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.343 11.929 -0.447 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.505 11.338 -1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.094 10.639 -0.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.855 12.908 -0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.827 12.793 0.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.256 13.470 -0.477 1.00 0.00 H new ATOM 164 N GLU A 10 2.527 10.145 1.322 1.00 0.00 N ATOM 165 CA GLU A 10 3.716 9.900 2.120 1.00 0.00 C ATOM 166 C GLU A 10 3.421 10.148 3.601 1.00 0.00 C ATOM 167 O GLU A 10 2.797 11.147 3.955 1.00 0.00 O ATOM 168 CB GLU A 10 4.885 10.763 1.642 1.00 0.00 C ATOM 169 CG GLU A 10 6.137 10.507 2.485 1.00 0.00 C ATOM 170 CD GLU A 10 6.128 11.363 3.753 1.00 0.00 C ATOM 171 OE1 GLU A 10 5.776 12.556 3.630 1.00 0.00 O ATOM 172 OE2 GLU A 10 6.475 10.805 4.816 1.00 0.00 O ATOM 0 H GLU A 10 1.900 10.857 1.697 1.00 0.00 H new ATOM 0 HA GLU A 10 4.004 8.856 1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.097 10.547 0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.612 11.817 1.701 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.189 9.452 2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.027 10.730 1.897 1.00 0.00 H new ATOM 179 N VAL A 11 3.884 9.221 4.427 1.00 0.00 N ATOM 180 CA VAL A 11 3.678 9.326 5.861 1.00 0.00 C ATOM 181 C VAL A 11 4.997 9.045 6.584 1.00 0.00 C ATOM 182 O VAL A 11 5.912 8.458 6.008 1.00 0.00 O ATOM 183 CB VAL A 11 2.547 8.392 6.297 1.00 0.00 C ATOM 184 CG1 VAL A 11 1.181 9.046 6.075 1.00 0.00 C ATOM 185 CG2 VAL A 11 2.636 7.048 5.573 1.00 0.00 C ATOM 0 H VAL A 11 4.401 8.394 4.130 1.00 0.00 H new ATOM 0 HA VAL A 11 3.369 10.336 6.129 1.00 0.00 H new ATOM 0 HB VAL A 11 2.659 8.204 7.365 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.394 8.362 6.393 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.119 9.966 6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.056 9.277 5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.821 6.403 5.901 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.561 7.208 4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.590 6.573 5.804 1.00 0.00 H new ATOM 195 N ARG A 12 5.053 9.476 7.835 1.00 0.00 N ATOM 196 CA ARG A 12 6.245 9.278 8.643 1.00 0.00 C ATOM 197 C ARG A 12 5.883 8.600 9.965 1.00 0.00 C ATOM 198 O ARG A 12 4.981 9.048 10.671 1.00 0.00 O ATOM 199 CB ARG A 12 6.940 10.610 8.934 1.00 0.00 C ATOM 200 CG ARG A 12 8.174 10.403 9.815 1.00 0.00 C ATOM 201 CD ARG A 12 8.373 11.584 10.766 1.00 0.00 C ATOM 202 NE ARG A 12 8.425 11.105 12.165 1.00 0.00 N ATOM 203 CZ ARG A 12 7.342 10.823 12.903 1.00 0.00 C ATOM 204 NH1 ARG A 12 6.118 10.970 12.380 1.00 0.00 N ATOM 205 NH2 ARG A 12 7.485 10.393 14.164 1.00 0.00 N ATOM 0 H ARG A 12 4.292 9.962 8.310 1.00 0.00 H new ATOM 0 HA ARG A 12 6.926 8.641 8.079 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.233 11.084 7.997 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.244 11.287 9.430 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.065 9.483 10.390 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.057 10.284 9.188 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.295 12.109 10.518 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.558 12.298 10.648 1.00 0.00 H new ATOM 0 HE ARG A 12 9.342 10.982 12.595 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.010 11.297 11.420 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.294 10.755 12.942 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.417 10.280 14.562 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.661 10.178 14.726 1.00 0.00 H new ATOM 219 N PHE A 13 6.606 7.530 10.262 1.00 0.00 N ATOM 220 CA PHE A 13 6.373 6.785 11.487 1.00 0.00 C ATOM 221 C PHE A 13 7.672 6.604 12.275 1.00 0.00 C ATOM 222 O PHE A 13 8.739 6.434 11.688 1.00 0.00 O ATOM 223 CB PHE A 13 5.841 5.409 11.080 1.00 0.00 C ATOM 224 CG PHE A 13 4.587 5.460 10.206 1.00 0.00 C ATOM 225 CD1 PHE A 13 3.668 6.446 10.392 1.00 0.00 C ATOM 226 CD2 PHE A 13 4.390 4.520 9.243 1.00 0.00 C ATOM 227 CE1 PHE A 13 2.504 6.493 9.580 1.00 0.00 C ATOM 228 CE2 PHE A 13 3.226 4.568 8.431 1.00 0.00 C ATOM 229 CZ PHE A 13 2.307 5.553 8.617 1.00 0.00 C ATOM 0 H PHE A 13 7.354 7.161 9.675 1.00 0.00 H new ATOM 0 HA PHE A 13 5.668 7.323 12.120 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.624 4.872 10.544 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.621 4.835 11.980 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.824 7.192 11.157 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.119 3.737 9.096 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.775 7.276 9.727 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.071 3.822 7.666 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.421 5.589 8.000 1.00 0.00 H new ATOM 239 N ASN A 14 7.538 6.646 13.592 1.00 0.00 N ATOM 240 CA ASN A 14 8.689 6.489 14.466 1.00 0.00 C ATOM 241 C ASN A 14 8.923 5.000 14.732 1.00 0.00 C ATOM 242 O ASN A 14 8.249 4.402 15.569 1.00 0.00 O ATOM 243 CB ASN A 14 8.456 7.178 15.812 1.00 0.00 C ATOM 244 CG ASN A 14 9.550 8.208 16.097 1.00 0.00 C ATOM 245 OD1 ASN A 14 10.629 8.181 15.527 1.00 0.00 O ATOM 246 ND2 ASN A 14 9.214 9.116 17.010 1.00 0.00 N ATOM 0 H ASN A 14 6.651 6.786 14.075 1.00 0.00 H new ATOM 0 HA ASN A 14 9.550 6.940 13.974 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.482 7.668 15.810 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.437 6.433 16.607 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.876 9.846 17.271 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.294 9.082 17.449 1.00 0.00 H new ATOM 253 N ALA A 15 9.880 4.445 14.002 1.00 0.00 N ATOM 254 CA ALA A 15 10.211 3.038 14.149 1.00 0.00 C ATOM 255 C ALA A 15 11.376 2.694 13.219 1.00 0.00 C ATOM 256 O ALA A 15 11.686 3.450 12.300 1.00 0.00 O ATOM 257 CB ALA A 15 8.970 2.189 13.866 1.00 0.00 C ATOM 0 H ALA A 15 10.436 4.944 13.308 1.00 0.00 H new ATOM 0 HA ALA A 15 10.528 2.823 15.170 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.218 1.133 13.976 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.181 2.452 14.571 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.625 2.376 12.849 1.00 0.00 H new ATOM 263 N PRO A 16 12.007 1.522 13.498 1.00 0.00 N ATOM 264 CA PRO A 16 13.132 1.068 12.698 1.00 0.00 C ATOM 265 C PRO A 16 12.661 0.533 11.344 1.00 0.00 C ATOM 266 O PRO A 16 11.771 -0.315 11.283 1.00 0.00 O ATOM 267 CB PRO A 16 13.819 0.012 13.548 1.00 0.00 C ATOM 268 CG PRO A 16 12.795 -0.418 14.586 1.00 0.00 C ATOM 269 CD PRO A 16 11.668 0.601 14.579 1.00 0.00 C ATOM 0 HA PRO A 16 13.824 1.873 12.451 1.00 0.00 H new ATOM 0 HB2 PRO A 16 14.136 -0.834 12.939 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.713 0.415 14.024 1.00 0.00 H new ATOM 0 HG2 PRO A 16 12.412 -1.412 14.355 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.253 -0.474 15.574 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.704 0.124 14.405 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.598 1.121 15.535 1.00 0.00 H new ATOM 277 N ILE A 17 13.279 1.049 10.292 1.00 0.00 N ATOM 278 CA ILE A 17 12.935 0.633 8.943 1.00 0.00 C ATOM 279 C ILE A 17 12.992 -0.893 8.854 1.00 0.00 C ATOM 280 O ILE A 17 12.312 -1.497 8.026 1.00 0.00 O ATOM 281 CB ILE A 17 13.824 1.343 7.920 1.00 0.00 C ATOM 282 CG1 ILE A 17 13.247 1.214 6.509 1.00 0.00 C ATOM 283 CG2 ILE A 17 15.264 0.834 7.999 1.00 0.00 C ATOM 284 CD1 ILE A 17 13.783 2.317 5.595 1.00 0.00 C ATOM 0 H ILE A 17 14.016 1.752 10.347 1.00 0.00 H new ATOM 0 HA ILE A 17 11.914 0.928 8.702 1.00 0.00 H new ATOM 0 HB ILE A 17 13.844 2.405 8.164 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.502 0.238 6.096 1.00 0.00 H new ATOM 0 HG13 ILE A 17 12.159 1.268 6.551 1.00 0.00 H new ATOM 0 HG21 ILE A 17 15.875 1.355 7.262 1.00 0.00 H new ATOM 0 HG22 ILE A 17 15.662 1.021 8.997 1.00 0.00 H new ATOM 0 HG23 ILE A 17 15.283 -0.237 7.795 1.00 0.00 H new ATOM 0 HD11 ILE A 17 13.357 2.202 4.598 1.00 0.00 H new ATOM 0 HD12 ILE A 17 13.505 3.291 5.998 1.00 0.00 H new ATOM 0 HD13 ILE A 17 14.869 2.245 5.536 1.00 0.00 H new ATOM 296 N GLU A 18 13.812 -1.474 9.719 1.00 0.00 N ATOM 297 CA GLU A 18 13.967 -2.918 9.748 1.00 0.00 C ATOM 298 C GLU A 18 12.639 -3.588 10.106 1.00 0.00 C ATOM 299 O GLU A 18 12.337 -4.676 9.618 1.00 0.00 O ATOM 300 CB GLU A 18 15.070 -3.332 10.725 1.00 0.00 C ATOM 301 CG GLU A 18 15.946 -4.435 10.128 1.00 0.00 C ATOM 302 CD GLU A 18 15.417 -5.820 10.507 1.00 0.00 C ATOM 303 OE1 GLU A 18 15.806 -6.297 11.595 1.00 0.00 O ATOM 304 OE2 GLU A 18 14.637 -6.370 9.700 1.00 0.00 O ATOM 0 H GLU A 18 14.375 -0.970 10.404 1.00 0.00 H new ATOM 0 HA GLU A 18 14.263 -3.251 8.753 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.686 -2.467 10.971 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.624 -3.681 11.656 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.972 -4.336 9.043 1.00 0.00 H new ATOM 0 HG3 GLU A 18 16.970 -4.323 10.483 1.00 0.00 H new ATOM 311 N LYS A 19 11.880 -2.910 10.955 1.00 0.00 N ATOM 312 CA LYS A 19 10.591 -3.426 11.383 1.00 0.00 C ATOM 313 C LYS A 19 9.564 -3.206 10.271 1.00 0.00 C ATOM 314 O LYS A 19 8.936 -4.155 9.805 1.00 0.00 O ATOM 315 CB LYS A 19 10.187 -2.810 12.724 1.00 0.00 C ATOM 316 CG LYS A 19 9.543 -3.857 13.636 1.00 0.00 C ATOM 317 CD LYS A 19 8.499 -3.217 14.553 1.00 0.00 C ATOM 318 CE LYS A 19 7.495 -4.258 15.051 1.00 0.00 C ATOM 319 NZ LYS A 19 7.674 -4.499 16.501 1.00 0.00 N ATOM 0 H LYS A 19 12.133 -2.008 11.358 1.00 0.00 H new ATOM 0 HA LYS A 19 10.649 -4.501 11.556 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.064 -2.387 13.213 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.489 -1.990 12.556 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.074 -4.633 13.031 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.311 -4.343 14.237 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.995 -2.749 15.403 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.973 -2.427 14.016 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.479 -3.914 14.856 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.627 -5.191 14.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.985 -5.208 16.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.638 -4.847 16.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.526 -3.611 17.021 1.00 0.00 H new ATOM 333 N VAL A 20 9.424 -1.948 9.878 1.00 0.00 N ATOM 334 CA VAL A 20 8.483 -1.592 8.830 1.00 0.00 C ATOM 335 C VAL A 20 8.821 -2.374 7.560 1.00 0.00 C ATOM 336 O VAL A 20 7.930 -2.895 6.891 1.00 0.00 O ATOM 337 CB VAL A 20 8.485 -0.077 8.618 1.00 0.00 C ATOM 338 CG1 VAL A 20 7.309 0.356 7.740 1.00 0.00 C ATOM 339 CG2 VAL A 20 8.473 0.664 9.956 1.00 0.00 C ATOM 0 H VAL A 20 9.947 -1.163 10.267 1.00 0.00 H new ATOM 0 HA VAL A 20 7.468 -1.865 9.119 1.00 0.00 H new ATOM 0 HB VAL A 20 9.406 0.187 8.098 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.334 1.437 7.605 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.381 -0.133 6.768 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.373 0.072 8.220 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.475 1.739 9.777 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.578 0.391 10.515 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.358 0.391 10.531 1.00 0.00 H new ATOM 349 N TRP A 21 10.112 -2.432 7.265 1.00 0.00 N ATOM 350 CA TRP A 21 10.579 -3.142 6.086 1.00 0.00 C ATOM 351 C TRP A 21 10.023 -4.566 6.140 1.00 0.00 C ATOM 352 O TRP A 21 9.428 -5.041 5.174 1.00 0.00 O ATOM 353 CB TRP A 21 12.106 -3.100 5.990 1.00 0.00 C ATOM 354 CG TRP A 21 12.679 -3.919 4.832 1.00 0.00 C ATOM 355 CD1 TRP A 21 13.632 -4.860 4.880 1.00 0.00 C ATOM 356 CD2 TRP A 21 12.294 -3.832 3.444 1.00 0.00 C ATOM 357 NE1 TRP A 21 13.889 -5.383 3.629 1.00 0.00 N ATOM 358 CE2 TRP A 21 13.050 -4.738 2.728 1.00 0.00 C ATOM 359 CE3 TRP A 21 11.340 -3.014 2.814 1.00 0.00 C ATOM 360 CZ2 TRP A 21 12.929 -4.913 1.344 1.00 0.00 C ATOM 361 CZ3 TRP A 21 11.231 -3.201 1.431 1.00 0.00 C ATOM 362 CH2 TRP A 21 11.984 -4.109 0.695 1.00 0.00 C ATOM 0 H TRP A 21 10.849 -1.999 7.822 1.00 0.00 H new ATOM 0 HA TRP A 21 10.216 -2.661 5.178 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.425 -2.063 5.881 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.529 -3.467 6.925 1.00 0.00 H new ATOM 0 HD1 TRP A 21 14.135 -5.170 5.784 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.570 -6.109 3.407 1.00 0.00 H new ATOM 0 HE3 TRP A 21 10.739 -2.298 3.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 13.532 -5.629 0.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.511 -2.597 0.898 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.841 -4.194 -0.372 1.00 0.00 H new ATOM 373 N GLU A 22 10.235 -5.207 7.280 1.00 0.00 N ATOM 374 CA GLU A 22 9.762 -6.568 7.473 1.00 0.00 C ATOM 375 C GLU A 22 8.233 -6.599 7.502 1.00 0.00 C ATOM 376 O GLU A 22 7.623 -7.622 7.194 1.00 0.00 O ATOM 377 CB GLU A 22 10.347 -7.176 8.750 1.00 0.00 C ATOM 378 CG GLU A 22 11.265 -8.355 8.424 1.00 0.00 C ATOM 379 CD GLU A 22 11.707 -9.074 9.701 1.00 0.00 C ATOM 380 OE1 GLU A 22 10.821 -9.329 10.544 1.00 0.00 O ATOM 381 OE2 GLU A 22 12.921 -9.352 9.804 1.00 0.00 O ATOM 0 H GLU A 22 10.728 -4.809 8.080 1.00 0.00 H new ATOM 0 HA GLU A 22 10.103 -7.173 6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.905 -6.416 9.296 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.539 -7.509 9.402 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.746 -9.055 7.769 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.141 -8.000 7.881 1.00 0.00 H new ATOM 388 N ALA A 23 7.657 -5.465 7.874 1.00 0.00 N ATOM 389 CA ALA A 23 6.210 -5.350 7.947 1.00 0.00 C ATOM 390 C ALA A 23 5.641 -5.219 6.532 1.00 0.00 C ATOM 391 O ALA A 23 4.443 -5.400 6.322 1.00 0.00 O ATOM 392 CB ALA A 23 5.836 -4.163 8.838 1.00 0.00 C ATOM 0 H ALA A 23 8.166 -4.618 8.128 1.00 0.00 H new ATOM 0 HA ALA A 23 5.776 -6.244 8.396 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.751 -4.077 8.893 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.239 -4.318 9.839 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.252 -3.247 8.418 1.00 0.00 H new ATOM 398 N VAL A 24 6.528 -4.905 5.599 1.00 0.00 N ATOM 399 CA VAL A 24 6.130 -4.747 4.211 1.00 0.00 C ATOM 400 C VAL A 24 6.835 -5.805 3.359 1.00 0.00 C ATOM 401 O VAL A 24 6.775 -5.759 2.132 1.00 0.00 O ATOM 402 CB VAL A 24 6.413 -3.318 3.744 1.00 0.00 C ATOM 403 CG1 VAL A 24 5.901 -2.297 4.763 1.00 0.00 C ATOM 404 CG2 VAL A 24 7.904 -3.117 3.467 1.00 0.00 C ATOM 0 H VAL A 24 7.521 -4.756 5.777 1.00 0.00 H new ATOM 0 HA VAL A 24 5.057 -4.903 4.102 1.00 0.00 H new ATOM 0 HB VAL A 24 5.875 -3.158 2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.115 -1.289 4.407 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.825 -2.417 4.889 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.398 -2.457 5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.078 -2.093 3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.472 -3.306 4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.226 -3.809 2.689 1.00 0.00 H new ATOM 414 N SER A 25 7.487 -6.732 4.045 1.00 0.00 N ATOM 415 CA SER A 25 8.203 -7.799 3.367 1.00 0.00 C ATOM 416 C SER A 25 7.509 -9.139 3.621 1.00 0.00 C ATOM 417 O SER A 25 7.572 -10.043 2.789 1.00 0.00 O ATOM 418 CB SER A 25 9.661 -7.862 3.825 1.00 0.00 C ATOM 419 OG SER A 25 9.828 -8.705 4.961 1.00 0.00 O ATOM 0 H SER A 25 7.534 -6.766 5.063 1.00 0.00 H new ATOM 0 HA SER A 25 8.195 -7.590 2.297 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.282 -8.228 3.008 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.009 -6.857 4.065 1.00 0.00 H new ATOM 0 HG SER A 25 10.773 -8.720 5.221 1.00 0.00 H new ATOM 425 N THR A 26 6.862 -9.225 4.774 1.00 0.00 N ATOM 426 CA THR A 26 6.157 -10.439 5.149 1.00 0.00 C ATOM 427 C THR A 26 4.678 -10.335 4.770 1.00 0.00 C ATOM 428 O THR A 26 4.217 -9.280 4.338 1.00 0.00 O ATOM 429 CB THR A 26 6.386 -10.677 6.642 1.00 0.00 C ATOM 430 OG1 THR A 26 5.991 -9.453 7.254 1.00 0.00 O ATOM 431 CG2 THR A 26 7.870 -10.807 6.994 1.00 0.00 C ATOM 0 H THR A 26 6.811 -8.473 5.461 1.00 0.00 H new ATOM 0 HA THR A 26 6.540 -11.303 4.605 1.00 0.00 H new ATOM 0 HB THR A 26 5.859 -11.580 6.950 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.786 -8.919 7.460 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.976 -10.975 8.066 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.301 -11.648 6.451 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.391 -9.891 6.717 1.00 0.00 H new ATOM 439 N SER A 27 3.976 -11.445 4.946 1.00 0.00 N ATOM 440 CA SER A 27 2.559 -11.492 4.628 1.00 0.00 C ATOM 441 C SER A 27 1.734 -11.094 5.854 1.00 0.00 C ATOM 442 O SER A 27 0.871 -10.222 5.770 1.00 0.00 O ATOM 443 CB SER A 27 2.150 -12.883 4.142 1.00 0.00 C ATOM 444 OG SER A 27 2.570 -13.125 2.802 1.00 0.00 O ATOM 0 H SER A 27 4.362 -12.318 5.305 1.00 0.00 H new ATOM 0 HA SER A 27 2.365 -10.784 3.822 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.581 -13.638 4.799 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.067 -12.986 4.207 1.00 0.00 H new ATOM 0 HG SER A 27 3.502 -12.840 2.695 1.00 0.00 H new ATOM 450 N GLU A 28 2.028 -11.754 6.965 1.00 0.00 N ATOM 451 CA GLU A 28 1.325 -11.480 8.206 1.00 0.00 C ATOM 452 C GLU A 28 1.463 -10.003 8.580 1.00 0.00 C ATOM 453 O GLU A 28 0.533 -9.406 9.119 1.00 0.00 O ATOM 454 CB GLU A 28 1.832 -12.381 9.334 1.00 0.00 C ATOM 455 CG GLU A 28 0.689 -13.202 9.936 1.00 0.00 C ATOM 456 CD GLU A 28 0.156 -12.547 11.211 1.00 0.00 C ATOM 457 OE1 GLU A 28 -0.611 -11.570 11.070 1.00 0.00 O ATOM 458 OE2 GLU A 28 0.528 -13.038 12.299 1.00 0.00 O ATOM 0 H GLU A 28 2.744 -12.478 7.031 1.00 0.00 H new ATOM 0 HA GLU A 28 0.268 -11.699 8.057 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.603 -13.050 8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.295 -11.772 10.110 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.117 -13.298 9.208 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.039 -14.210 10.160 1.00 0.00 H new ATOM 465 N GLY A 29 2.632 -9.456 8.279 1.00 0.00 N ATOM 466 CA GLY A 29 2.904 -8.060 8.577 1.00 0.00 C ATOM 467 C GLY A 29 2.142 -7.138 7.624 1.00 0.00 C ATOM 468 O GLY A 29 1.642 -6.092 8.034 1.00 0.00 O ATOM 0 H GLY A 29 3.401 -9.954 7.832 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.618 -7.842 9.606 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.974 -7.869 8.496 1.00 0.00 H new ATOM 472 N LEU A 30 2.079 -7.559 6.369 1.00 0.00 N ATOM 473 CA LEU A 30 1.387 -6.783 5.354 1.00 0.00 C ATOM 474 C LEU A 30 -0.123 -6.895 5.573 1.00 0.00 C ATOM 475 O LEU A 30 -0.811 -5.884 5.710 1.00 0.00 O ATOM 476 CB LEU A 30 1.838 -7.208 3.955 1.00 0.00 C ATOM 477 CG LEU A 30 2.765 -6.235 3.224 1.00 0.00 C ATOM 478 CD1 LEU A 30 4.016 -6.950 2.711 1.00 0.00 C ATOM 479 CD2 LEU A 30 2.021 -5.505 2.104 1.00 0.00 C ATOM 0 H LEU A 30 2.496 -8.427 6.032 1.00 0.00 H new ATOM 0 HA LEU A 30 1.645 -5.727 5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.344 -8.170 4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.951 -7.364 3.341 1.00 0.00 H new ATOM 0 HG LEU A 30 3.096 -5.479 3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.658 -6.236 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.558 -7.384 3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.725 -7.741 2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.703 -4.820 1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.641 -6.232 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.188 -4.943 2.527 1.00 0.00 H new ATOM 491 N ALA A 31 -0.595 -8.133 5.601 1.00 0.00 N ATOM 492 CA ALA A 31 -2.011 -8.390 5.802 1.00 0.00 C ATOM 493 C ALA A 31 -2.468 -7.716 7.096 1.00 0.00 C ATOM 494 O ALA A 31 -3.663 -7.509 7.304 1.00 0.00 O ATOM 495 CB ALA A 31 -2.259 -9.900 5.811 1.00 0.00 C ATOM 0 H ALA A 31 -0.022 -8.969 5.488 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.598 -7.968 4.986 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.321 -10.093 5.962 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.944 -10.326 4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.689 -10.358 6.619 1.00 0.00 H new ATOM 501 N PHE A 32 -1.494 -7.391 7.933 1.00 0.00 N ATOM 502 CA PHE A 32 -1.782 -6.744 9.202 1.00 0.00 C ATOM 503 C PHE A 32 -2.429 -5.375 8.985 1.00 0.00 C ATOM 504 O PHE A 32 -3.149 -4.880 9.851 1.00 0.00 O ATOM 505 CB PHE A 32 -0.445 -6.554 9.921 1.00 0.00 C ATOM 506 CG PHE A 32 -0.503 -6.826 11.426 1.00 0.00 C ATOM 507 CD1 PHE A 32 -1.519 -6.311 12.171 1.00 0.00 C ATOM 508 CD2 PHE A 32 0.460 -7.581 12.019 1.00 0.00 C ATOM 509 CE1 PHE A 32 -1.573 -6.563 13.567 1.00 0.00 C ATOM 510 CE2 PHE A 32 0.405 -7.833 13.415 1.00 0.00 C ATOM 511 CZ PHE A 32 -0.610 -7.318 14.160 1.00 0.00 C ATOM 0 H PHE A 32 -0.504 -7.564 7.757 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.473 -7.355 9.782 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.295 -7.216 9.471 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.099 -5.533 9.760 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.284 -5.711 11.700 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.267 -7.989 11.428 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.379 -6.155 14.158 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.169 -8.434 13.886 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.651 -7.509 15.222 1.00 0.00 H new ATOM 521 N TRP A 33 -2.150 -4.801 7.824 1.00 0.00 N ATOM 522 CA TRP A 33 -2.696 -3.499 7.482 1.00 0.00 C ATOM 523 C TRP A 33 -3.275 -3.585 6.068 1.00 0.00 C ATOM 524 O TRP A 33 -4.411 -3.177 5.833 1.00 0.00 O ATOM 525 CB TRP A 33 -1.637 -2.405 7.628 1.00 0.00 C ATOM 526 CG TRP A 33 -0.360 -2.663 6.826 1.00 0.00 C ATOM 527 CD1 TRP A 33 0.664 -3.467 7.142 1.00 0.00 C ATOM 528 CD2 TRP A 33 -0.011 -2.078 5.553 1.00 0.00 C ATOM 529 NE1 TRP A 33 1.644 -3.444 6.170 1.00 0.00 N ATOM 530 CE2 TRP A 33 1.220 -2.572 5.173 1.00 0.00 C ATOM 531 CE3 TRP A 33 -0.713 -1.162 4.750 1.00 0.00 C ATOM 532 CZ2 TRP A 33 1.857 -2.208 3.981 1.00 0.00 C ATOM 533 CZ3 TRP A 33 -0.062 -0.808 3.562 1.00 0.00 C ATOM 534 CH2 TRP A 33 1.177 -1.297 3.165 1.00 0.00 C ATOM 0 H TRP A 33 -1.553 -5.214 7.108 1.00 0.00 H new ATOM 0 HA TRP A 33 -3.496 -3.224 8.170 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -2.066 -1.454 7.312 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -1.378 -2.303 8.682 1.00 0.00 H new ATOM 0 HD1 TRP A 33 0.716 -4.059 8.044 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.518 -3.970 6.181 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.678 -0.763 5.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.821 -2.609 3.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.557 -0.106 2.908 1.00 0.00 H new ATOM 0 HH2 TRP A 33 1.613 -0.975 2.231 1.00 0.00 H new ATOM 545 N PHE A 34 -2.467 -4.119 5.164 1.00 0.00 N ATOM 546 CA PHE A 34 -2.885 -4.264 3.780 1.00 0.00 C ATOM 547 C PHE A 34 -3.998 -5.305 3.650 1.00 0.00 C ATOM 548 O PHE A 34 -5.179 -4.970 3.729 1.00 0.00 O ATOM 549 CB PHE A 34 -1.663 -4.739 2.991 1.00 0.00 C ATOM 550 CG PHE A 34 -1.997 -5.321 1.616 1.00 0.00 C ATOM 551 CD1 PHE A 34 -2.911 -4.703 0.821 1.00 0.00 C ATOM 552 CD2 PHE A 34 -1.380 -6.455 1.189 1.00 0.00 C ATOM 553 CE1 PHE A 34 -3.222 -5.243 -0.455 1.00 0.00 C ATOM 554 CE2 PHE A 34 -1.691 -6.995 -0.087 1.00 0.00 C ATOM 555 CZ PHE A 34 -2.605 -6.377 -0.882 1.00 0.00 C ATOM 0 H PHE A 34 -1.525 -4.456 5.363 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.267 -3.314 3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.978 -3.901 2.863 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.137 -5.494 3.576 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.400 -3.802 1.160 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.653 -6.945 1.820 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.949 -4.753 -1.086 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.202 -7.896 -0.426 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.841 -6.787 -1.853 1.00 0.00 H new ATOM 565 N MET A 35 -3.582 -6.548 3.452 1.00 0.00 N ATOM 566 CA MET A 35 -4.529 -7.640 3.310 1.00 0.00 C ATOM 567 C MET A 35 -3.806 -8.986 3.227 1.00 0.00 C ATOM 568 O MET A 35 -2.603 -9.034 2.973 1.00 0.00 O ATOM 569 CB MET A 35 -5.365 -7.431 2.045 1.00 0.00 C ATOM 570 CG MET A 35 -6.818 -7.105 2.396 1.00 0.00 C ATOM 571 SD MET A 35 -7.889 -7.565 1.044 1.00 0.00 S ATOM 572 CE MET A 35 -7.267 -6.479 -0.228 1.00 0.00 C ATOM 0 H MET A 35 -2.602 -6.822 3.387 1.00 0.00 H new ATOM 0 HA MET A 35 -5.177 -7.650 4.187 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.939 -6.621 1.453 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.329 -8.329 1.428 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.111 -7.638 3.301 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.920 -6.040 2.606 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.885 -6.572 -1.121 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.296 -5.449 0.127 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.239 -6.751 -0.468 1.00 0.00 H new ATOM 582 N GLU A 36 -4.569 -10.047 3.446 1.00 0.00 N ATOM 583 CA GLU A 36 -4.016 -11.389 3.399 1.00 0.00 C ATOM 584 C GLU A 36 -3.242 -11.600 2.096 1.00 0.00 C ATOM 585 O GLU A 36 -3.659 -11.128 1.039 1.00 0.00 O ATOM 586 CB GLU A 36 -5.115 -12.441 3.560 1.00 0.00 C ATOM 587 CG GLU A 36 -5.546 -12.565 5.023 1.00 0.00 C ATOM 588 CD GLU A 36 -5.097 -13.902 5.616 1.00 0.00 C ATOM 589 OE1 GLU A 36 -5.237 -14.916 4.898 1.00 0.00 O ATOM 590 OE2 GLU A 36 -4.625 -13.880 6.773 1.00 0.00 O ATOM 0 H GLU A 36 -5.566 -10.004 3.657 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.323 -11.504 4.233 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.974 -12.171 2.946 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.756 -13.405 3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.120 -11.745 5.602 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.630 -12.477 5.095 1.00 0.00 H new ATOM 597 N ASN A 37 -2.129 -12.308 2.214 1.00 0.00 N ATOM 598 CA ASN A 37 -1.294 -12.587 1.058 1.00 0.00 C ATOM 599 C ASN A 37 -0.232 -13.621 1.439 1.00 0.00 C ATOM 600 O ASN A 37 -0.153 -14.038 2.593 1.00 0.00 O ATOM 601 CB ASN A 37 -0.573 -11.324 0.582 1.00 0.00 C ATOM 602 CG ASN A 37 0.428 -10.835 1.630 1.00 0.00 C ATOM 603 OD1 ASN A 37 1.632 -10.861 1.436 1.00 0.00 O ATOM 604 ND2 ASN A 37 -0.135 -10.390 2.750 1.00 0.00 N ATOM 0 H ASN A 37 -1.786 -12.697 3.092 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.937 -12.959 0.260 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.054 -11.529 -0.354 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.302 -10.540 0.377 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.449 -10.043 3.511 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.150 -10.396 2.848 1.00 0.00 H new ATOM 611 N ASP A 38 0.556 -14.006 0.446 1.00 0.00 N ATOM 612 CA ASP A 38 1.609 -14.983 0.662 1.00 0.00 C ATOM 613 C ASP A 38 2.947 -14.394 0.210 1.00 0.00 C ATOM 614 O ASP A 38 3.863 -15.131 -0.152 1.00 0.00 O ATOM 615 CB ASP A 38 1.355 -16.256 -0.149 1.00 0.00 C ATOM 616 CG ASP A 38 1.750 -17.558 0.550 1.00 0.00 C ATOM 617 OD1 ASP A 38 2.506 -17.463 1.541 1.00 0.00 O ATOM 618 OD2 ASP A 38 1.288 -18.619 0.078 1.00 0.00 O ATOM 0 H ASP A 38 0.486 -13.659 -0.511 1.00 0.00 H new ATOM 0 HA ASP A 38 1.627 -15.229 1.724 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.295 -16.303 -0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.903 -16.185 -1.089 1.00 0.00 H new ATOM 623 N LEU A 39 3.017 -13.072 0.247 1.00 0.00 N ATOM 624 CA LEU A 39 4.228 -12.375 -0.155 1.00 0.00 C ATOM 625 C LEU A 39 5.357 -12.723 0.817 1.00 0.00 C ATOM 626 O LEU A 39 5.105 -13.048 1.977 1.00 0.00 O ATOM 627 CB LEU A 39 3.965 -10.873 -0.280 1.00 0.00 C ATOM 628 CG LEU A 39 5.125 -10.032 -0.817 1.00 0.00 C ATOM 629 CD1 LEU A 39 4.696 -9.225 -2.043 1.00 0.00 C ATOM 630 CD2 LEU A 39 5.709 -9.140 0.281 1.00 0.00 C ATOM 0 H LEU A 39 2.255 -12.464 0.549 1.00 0.00 H new ATOM 0 HA LEU A 39 4.546 -12.703 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.104 -10.728 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.688 -10.490 0.702 1.00 0.00 H new ATOM 0 HG LEU A 39 5.917 -10.708 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.539 -8.636 -2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.365 -9.905 -2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.878 -8.558 -1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.532 -8.553 -0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.935 -8.470 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.077 -9.761 1.098 1.00 0.00 H new ATOM 642 N LYS A 40 6.578 -12.643 0.309 1.00 0.00 N ATOM 643 CA LYS A 40 7.747 -12.945 1.117 1.00 0.00 C ATOM 644 C LYS A 40 8.901 -12.032 0.699 1.00 0.00 C ATOM 645 O LYS A 40 10.066 -12.355 0.925 1.00 0.00 O ATOM 646 CB LYS A 40 8.082 -14.436 1.038 1.00 0.00 C ATOM 647 CG LYS A 40 7.279 -15.234 2.068 1.00 0.00 C ATOM 648 CD LYS A 40 8.154 -16.290 2.746 1.00 0.00 C ATOM 649 CE LYS A 40 9.088 -15.650 3.775 1.00 0.00 C ATOM 650 NZ LYS A 40 8.454 -15.636 5.112 1.00 0.00 N ATOM 0 H LYS A 40 6.783 -12.373 -0.653 1.00 0.00 H new ATOM 0 HA LYS A 40 7.546 -12.742 2.169 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.867 -14.808 0.036 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.148 -14.582 1.210 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.871 -14.558 2.819 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.432 -15.717 1.580 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.522 -17.032 3.235 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.742 -16.817 1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.026 -16.203 3.817 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.331 -14.632 3.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.101 -15.198 5.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.570 -15.089 5.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.244 -16.611 5.407 1.00 0.00 H new ATOM 664 N ALA A 41 8.537 -10.910 0.096 1.00 0.00 N ATOM 665 CA ALA A 41 9.528 -9.948 -0.357 1.00 0.00 C ATOM 666 C ALA A 41 10.519 -10.645 -1.290 1.00 0.00 C ATOM 667 O ALA A 41 11.699 -10.772 -0.966 1.00 0.00 O ATOM 668 CB ALA A 41 10.214 -9.314 0.855 1.00 0.00 C ATOM 0 H ALA A 41 7.570 -10.645 -0.090 1.00 0.00 H new ATOM 0 HA ALA A 41 9.054 -9.144 -0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 41 10.957 -8.592 0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.470 -8.807 1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.704 -10.090 1.443 1.00 0.00 H new ATOM 674 N GLU A 42 10.004 -11.078 -2.432 1.00 0.00 N ATOM 675 CA GLU A 42 10.830 -11.758 -3.415 1.00 0.00 C ATOM 676 C GLU A 42 10.371 -11.403 -4.831 1.00 0.00 C ATOM 677 O GLU A 42 9.177 -11.439 -5.127 1.00 0.00 O ATOM 678 CB GLU A 42 10.809 -13.272 -3.195 1.00 0.00 C ATOM 679 CG GLU A 42 12.230 -13.836 -3.130 1.00 0.00 C ATOM 680 CD GLU A 42 12.241 -15.218 -2.471 1.00 0.00 C ATOM 681 OE1 GLU A 42 11.640 -15.332 -1.382 1.00 0.00 O ATOM 682 OE2 GLU A 42 12.852 -16.128 -3.073 1.00 0.00 O ATOM 0 H GLU A 42 9.025 -10.971 -2.698 1.00 0.00 H new ATOM 0 HA GLU A 42 11.859 -11.420 -3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.280 -13.501 -2.270 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.259 -13.753 -4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.644 -13.905 -4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.870 -13.156 -2.568 1.00 0.00 H new ATOM 689 N THR A 43 11.342 -11.070 -5.667 1.00 0.00 N ATOM 690 CA THR A 43 11.053 -10.709 -7.045 1.00 0.00 C ATOM 691 C THR A 43 10.740 -11.959 -7.869 1.00 0.00 C ATOM 692 O THR A 43 11.312 -13.022 -7.633 1.00 0.00 O ATOM 693 CB THR A 43 12.239 -9.907 -7.583 1.00 0.00 C ATOM 694 OG1 THR A 43 11.688 -9.148 -8.655 1.00 0.00 O ATOM 695 CG2 THR A 43 13.288 -10.795 -8.256 1.00 0.00 C ATOM 0 H THR A 43 12.331 -11.042 -5.417 1.00 0.00 H new ATOM 0 HA THR A 43 10.163 -10.083 -7.112 1.00 0.00 H new ATOM 0 HB THR A 43 12.702 -9.352 -6.767 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.390 -8.597 -9.060 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.108 -10.177 -8.620 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.670 -11.517 -7.535 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.833 -11.325 -9.093 1.00 0.00 H new ATOM 703 N GLY A 44 9.833 -11.790 -8.820 1.00 0.00 N ATOM 704 CA GLY A 44 9.437 -12.892 -9.681 1.00 0.00 C ATOM 705 C GLY A 44 8.669 -13.955 -8.892 1.00 0.00 C ATOM 706 O GLY A 44 8.530 -15.090 -9.346 1.00 0.00 O ATOM 0 H GLY A 44 9.361 -10.907 -9.013 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.815 -12.518 -10.494 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.321 -13.339 -10.135 1.00 0.00 H new ATOM 710 N HIS A 45 8.190 -13.550 -7.725 1.00 0.00 N ATOM 711 CA HIS A 45 7.440 -14.453 -6.870 1.00 0.00 C ATOM 712 C HIS A 45 5.970 -14.462 -7.296 1.00 0.00 C ATOM 713 O HIS A 45 5.546 -13.626 -8.093 1.00 0.00 O ATOM 714 CB HIS A 45 7.627 -14.087 -5.396 1.00 0.00 C ATOM 715 CG HIS A 45 7.201 -15.172 -4.435 1.00 0.00 C ATOM 716 ND1 HIS A 45 7.271 -16.518 -4.745 1.00 0.00 N ATOM 717 CD2 HIS A 45 6.701 -15.094 -3.168 1.00 0.00 C ATOM 718 CE1 HIS A 45 6.830 -17.211 -3.706 1.00 0.00 C ATOM 719 NE2 HIS A 45 6.476 -16.326 -2.730 1.00 0.00 N ATOM 0 H HIS A 45 8.307 -12.608 -7.352 1.00 0.00 H new ATOM 0 HA HIS A 45 7.822 -15.468 -6.984 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.677 -13.852 -5.221 1.00 0.00 H new ATOM 0 HB3 HIS A 45 7.058 -13.182 -5.182 1.00 0.00 H new ATOM 0 HD2 HIS A 45 6.519 -14.184 -2.615 1.00 0.00 H new ATOM 0 HE1 HIS A 45 6.763 -18.287 -3.643 1.00 0.00 H new ATOM 0 HE2 HIS A 45 6.100 -16.571 -1.814 1.00 0.00 H new ATOM 727 N HIS A 46 5.234 -15.417 -6.747 1.00 0.00 N ATOM 728 CA HIS A 46 3.821 -15.546 -7.060 1.00 0.00 C ATOM 729 C HIS A 46 3.038 -15.856 -5.783 1.00 0.00 C ATOM 730 O HIS A 46 3.187 -16.932 -5.205 1.00 0.00 O ATOM 731 CB HIS A 46 3.601 -16.587 -8.159 1.00 0.00 C ATOM 732 CG HIS A 46 4.782 -17.501 -8.384 1.00 0.00 C ATOM 733 ND1 HIS A 46 5.275 -17.792 -9.644 1.00 0.00 N ATOM 734 CD2 HIS A 46 5.562 -18.185 -7.498 1.00 0.00 C ATOM 735 CE1 HIS A 46 6.305 -18.615 -9.510 1.00 0.00 C ATOM 736 NE2 HIS A 46 6.481 -18.857 -8.179 1.00 0.00 N ATOM 0 H HIS A 46 5.590 -16.109 -6.087 1.00 0.00 H new ATOM 0 HA HIS A 46 3.445 -14.602 -7.454 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.730 -17.191 -7.904 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.370 -16.072 -9.092 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.450 -18.180 -6.424 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.901 -19.023 -10.313 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.201 -19.456 -7.774 1.00 0.00 H new ATOM 744 N PHE A 47 2.221 -14.895 -5.380 1.00 0.00 N ATOM 745 CA PHE A 47 1.414 -15.052 -4.181 1.00 0.00 C ATOM 746 C PHE A 47 -0.037 -14.640 -4.439 1.00 0.00 C ATOM 747 O PHE A 47 -0.292 -13.624 -5.083 1.00 0.00 O ATOM 748 CB PHE A 47 2.012 -14.132 -3.115 1.00 0.00 C ATOM 749 CG PHE A 47 2.148 -12.674 -3.558 1.00 0.00 C ATOM 750 CD1 PHE A 47 3.040 -12.337 -4.528 1.00 0.00 C ATOM 751 CD2 PHE A 47 1.376 -11.713 -2.982 1.00 0.00 C ATOM 752 CE1 PHE A 47 3.166 -10.984 -4.938 1.00 0.00 C ATOM 753 CE2 PHE A 47 1.502 -10.360 -3.392 1.00 0.00 C ATOM 754 CZ PHE A 47 2.395 -10.024 -4.362 1.00 0.00 C ATOM 0 H PHE A 47 2.100 -14.004 -5.862 1.00 0.00 H new ATOM 0 HA PHE A 47 1.416 -16.095 -3.865 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.388 -14.173 -2.222 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.995 -14.509 -2.834 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.653 -13.099 -4.986 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.667 -11.980 -2.212 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.875 -10.717 -5.708 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.889 -9.598 -2.934 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.491 -8.995 -4.674 1.00 0.00 H new ATOM 764 N HIS A 48 -0.949 -15.450 -3.923 1.00 0.00 N ATOM 765 CA HIS A 48 -2.368 -15.183 -4.089 1.00 0.00 C ATOM 766 C HIS A 48 -2.824 -14.166 -3.041 1.00 0.00 C ATOM 767 O HIS A 48 -2.085 -13.857 -2.107 1.00 0.00 O ATOM 768 CB HIS A 48 -3.175 -16.482 -4.045 1.00 0.00 C ATOM 769 CG HIS A 48 -3.189 -17.240 -5.351 1.00 0.00 C ATOM 770 ND1 HIS A 48 -2.105 -17.971 -5.805 1.00 0.00 N ATOM 771 CD2 HIS A 48 -4.165 -17.374 -6.293 1.00 0.00 C ATOM 772 CE1 HIS A 48 -2.425 -18.515 -6.969 1.00 0.00 C ATOM 773 NE2 HIS A 48 -3.703 -18.144 -7.270 1.00 0.00 N ATOM 0 H HIS A 48 -0.733 -16.292 -3.389 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.547 -14.746 -5.072 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.765 -17.126 -3.267 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.201 -16.251 -3.760 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.148 -16.929 -6.251 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -1.787 -19.142 -7.574 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.218 -18.414 -8.108 1.00 0.00 H new ATOM 781 N LEU A 49 -4.039 -13.673 -3.231 1.00 0.00 N ATOM 782 CA LEU A 49 -4.603 -12.697 -2.314 1.00 0.00 C ATOM 783 C LEU A 49 -6.002 -13.148 -1.892 1.00 0.00 C ATOM 784 O LEU A 49 -6.782 -13.619 -2.719 1.00 0.00 O ATOM 785 CB LEU A 49 -4.568 -11.298 -2.932 1.00 0.00 C ATOM 786 CG LEU A 49 -4.593 -10.128 -1.946 1.00 0.00 C ATOM 787 CD1 LEU A 49 -3.173 -9.682 -1.589 1.00 0.00 C ATOM 788 CD2 LEU A 49 -5.437 -8.972 -2.487 1.00 0.00 C ATOM 0 H LEU A 49 -4.649 -13.931 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.001 -12.635 -1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.668 -11.214 -3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.420 -11.198 -3.605 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.066 -10.468 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.219 -8.849 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.635 -10.513 -1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.653 -9.366 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.438 -8.154 -1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.016 -8.624 -3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.459 -9.313 -2.650 1.00 0.00 H new ATOM 800 N GLN A 50 -6.279 -12.989 -0.606 1.00 0.00 N ATOM 801 CA GLN A 50 -7.571 -13.375 -0.065 1.00 0.00 C ATOM 802 C GLN A 50 -8.343 -12.138 0.397 1.00 0.00 C ATOM 803 O GLN A 50 -8.446 -11.876 1.594 1.00 0.00 O ATOM 804 CB GLN A 50 -7.409 -14.379 1.079 1.00 0.00 C ATOM 805 CG GLN A 50 -6.714 -15.653 0.595 1.00 0.00 C ATOM 806 CD GLN A 50 -7.659 -16.854 0.667 1.00 0.00 C ATOM 807 OE1 GLN A 50 -7.676 -17.607 1.626 1.00 0.00 O ATOM 808 NE2 GLN A 50 -8.442 -16.990 -0.400 1.00 0.00 N ATOM 0 H GLN A 50 -5.630 -12.598 0.077 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.143 -13.863 -0.854 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.830 -13.928 1.884 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.387 -14.628 1.491 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.370 -15.517 -0.430 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.831 -15.844 1.204 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.376 -16.323 -1.169 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.108 -17.761 -0.449 1.00 0.00 H new ATOM 817 N SER A 51 -8.868 -11.409 -0.578 1.00 0.00 N ATOM 818 CA SER A 51 -9.628 -10.206 -0.287 1.00 0.00 C ATOM 819 C SER A 51 -11.093 -10.563 -0.024 1.00 0.00 C ATOM 820 O SER A 51 -11.549 -11.642 -0.398 1.00 0.00 O ATOM 821 CB SER A 51 -9.525 -9.198 -1.433 1.00 0.00 C ATOM 822 OG SER A 51 -10.657 -9.254 -2.297 1.00 0.00 O ATOM 0 H SER A 51 -8.782 -11.629 -1.570 1.00 0.00 H new ATOM 0 HA SER A 51 -9.207 -9.744 0.606 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.431 -8.192 -1.024 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.620 -9.394 -2.008 1.00 0.00 H new ATOM 0 HG SER A 51 -10.618 -10.072 -2.835 1.00 0.00 H new ATOM 828 N PRO A 52 -11.807 -9.611 0.634 1.00 0.00 N ATOM 829 CA PRO A 52 -13.210 -9.814 0.951 1.00 0.00 C ATOM 830 C PRO A 52 -14.083 -9.656 -0.296 1.00 0.00 C ATOM 831 O PRO A 52 -15.258 -10.020 -0.286 1.00 0.00 O ATOM 832 CB PRO A 52 -13.523 -8.789 2.028 1.00 0.00 C ATOM 833 CG PRO A 52 -12.420 -7.746 1.944 1.00 0.00 C ATOM 834 CD PRO A 52 -11.300 -8.321 1.092 1.00 0.00 C ATOM 0 HA PRO A 52 -13.418 -10.823 1.307 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.501 -8.337 1.864 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.547 -9.253 3.014 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.799 -6.824 1.504 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.053 -7.497 2.940 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.066 -7.667 0.252 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.383 -8.438 1.670 1.00 0.00 H new ATOM 842 N PHE A 53 -13.474 -9.113 -1.340 1.00 0.00 N ATOM 843 CA PHE A 53 -14.181 -8.903 -2.592 1.00 0.00 C ATOM 844 C PHE A 53 -13.616 -9.798 -3.697 1.00 0.00 C ATOM 845 O PHE A 53 -13.348 -9.330 -4.803 1.00 0.00 O ATOM 846 CB PHE A 53 -13.973 -7.438 -2.982 1.00 0.00 C ATOM 847 CG PHE A 53 -15.179 -6.802 -3.676 1.00 0.00 C ATOM 848 CD1 PHE A 53 -15.363 -6.975 -5.013 1.00 0.00 C ATOM 849 CD2 PHE A 53 -16.066 -6.063 -2.957 1.00 0.00 C ATOM 850 CE1 PHE A 53 -16.482 -6.384 -5.657 1.00 0.00 C ATOM 851 CE2 PHE A 53 -17.185 -5.473 -3.602 1.00 0.00 C ATOM 852 CZ PHE A 53 -17.370 -5.646 -4.938 1.00 0.00 C ATOM 0 H PHE A 53 -12.499 -8.812 -1.345 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.237 -9.146 -2.469 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -13.738 -6.864 -2.086 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -13.108 -7.367 -3.642 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -14.658 -7.561 -5.584 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -15.919 -5.925 -1.896 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -16.628 -6.521 -6.718 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -17.890 -4.886 -3.031 1.00 0.00 H new ATOM 0 HZ PHE A 53 -18.222 -5.198 -5.428 1.00 0.00 H new ATOM 862 N GLY A 54 -13.452 -11.068 -3.360 1.00 0.00 N ATOM 863 CA GLY A 54 -12.925 -12.033 -4.310 1.00 0.00 C ATOM 864 C GLY A 54 -11.395 -12.038 -4.293 1.00 0.00 C ATOM 865 O GLY A 54 -10.768 -10.987 -4.170 1.00 0.00 O ATOM 0 H GLY A 54 -13.675 -11.452 -2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.298 -13.028 -4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.281 -11.794 -5.312 1.00 0.00 H new ATOM 869 N PRO A 55 -10.823 -13.265 -4.422 1.00 0.00 N ATOM 870 CA PRO A 55 -9.378 -13.422 -4.423 1.00 0.00 C ATOM 871 C PRO A 55 -8.778 -12.964 -5.754 1.00 0.00 C ATOM 872 O PRO A 55 -9.409 -13.094 -6.801 1.00 0.00 O ATOM 873 CB PRO A 55 -9.142 -14.896 -4.141 1.00 0.00 C ATOM 874 CG PRO A 55 -10.455 -15.596 -4.453 1.00 0.00 C ATOM 875 CD PRO A 55 -11.534 -14.532 -4.570 1.00 0.00 C ATOM 0 HA PRO A 55 -8.887 -12.803 -3.672 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.334 -15.287 -4.759 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.853 -15.053 -3.102 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.375 -16.162 -5.381 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.705 -16.308 -3.666 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.044 -14.590 -5.531 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.294 -14.652 -3.798 1.00 0.00 H new ATOM 883 N SER A 56 -7.565 -12.437 -5.669 1.00 0.00 N ATOM 884 CA SER A 56 -6.873 -11.959 -6.854 1.00 0.00 C ATOM 885 C SER A 56 -5.386 -12.308 -6.767 1.00 0.00 C ATOM 886 O SER A 56 -4.773 -12.173 -5.709 1.00 0.00 O ATOM 887 CB SER A 56 -7.054 -10.449 -7.027 1.00 0.00 C ATOM 888 OG SER A 56 -7.674 -10.125 -8.268 1.00 0.00 O ATOM 0 H SER A 56 -7.044 -12.331 -4.798 1.00 0.00 H new ATOM 0 HA SER A 56 -7.306 -12.451 -7.725 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.658 -10.060 -6.207 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.083 -9.958 -6.968 1.00 0.00 H new ATOM 0 HG SER A 56 -7.918 -9.176 -8.274 1.00 0.00 H new ATOM 894 N PRO A 57 -4.833 -12.762 -7.924 1.00 0.00 N ATOM 895 CA PRO A 57 -3.430 -13.132 -7.989 1.00 0.00 C ATOM 896 C PRO A 57 -2.536 -11.890 -8.009 1.00 0.00 C ATOM 897 O PRO A 57 -2.868 -10.892 -8.646 1.00 0.00 O ATOM 898 CB PRO A 57 -3.303 -13.975 -9.247 1.00 0.00 C ATOM 899 CG PRO A 57 -4.532 -13.662 -10.084 1.00 0.00 C ATOM 900 CD PRO A 57 -5.528 -12.935 -9.196 1.00 0.00 C ATOM 0 HA PRO A 57 -3.102 -13.694 -7.114 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.389 -13.732 -9.789 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.257 -15.036 -9.003 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.263 -13.044 -10.941 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.970 -14.580 -10.477 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.814 -11.975 -9.625 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.443 -13.513 -9.072 1.00 0.00 H new ATOM 908 N CYS A 58 -1.419 -11.992 -7.303 1.00 0.00 N ATOM 909 CA CYS A 58 -0.475 -10.890 -7.232 1.00 0.00 C ATOM 910 C CYS A 58 0.902 -11.409 -7.652 1.00 0.00 C ATOM 911 O CYS A 58 1.157 -12.611 -7.602 1.00 0.00 O ATOM 912 CB CYS A 58 -0.447 -10.258 -5.839 1.00 0.00 C ATOM 913 SG CYS A 58 -2.138 -9.766 -5.341 1.00 0.00 S ATOM 0 H CYS A 58 -1.147 -12.821 -6.775 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.786 -10.097 -7.912 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.038 -10.966 -5.118 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.209 -9.387 -5.839 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.952 -10.763 -5.525 1.00 0.00 H new ATOM 919 N GLN A 59 1.752 -10.476 -8.055 1.00 0.00 N ATOM 920 CA GLN A 59 3.097 -10.824 -8.482 1.00 0.00 C ATOM 921 C GLN A 59 4.057 -9.665 -8.211 1.00 0.00 C ATOM 922 O GLN A 59 3.731 -8.509 -8.477 1.00 0.00 O ATOM 923 CB GLN A 59 3.117 -11.218 -9.961 1.00 0.00 C ATOM 924 CG GLN A 59 4.550 -11.265 -10.496 1.00 0.00 C ATOM 925 CD GLN A 59 4.709 -12.371 -11.541 1.00 0.00 C ATOM 926 OE1 GLN A 59 4.312 -12.238 -12.688 1.00 0.00 O ATOM 927 NE2 GLN A 59 5.309 -13.466 -11.084 1.00 0.00 N ATOM 0 H GLN A 59 1.536 -9.480 -8.095 1.00 0.00 H new ATOM 0 HA GLN A 59 3.429 -11.687 -7.905 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.645 -12.192 -10.088 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.532 -10.503 -10.540 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.809 -10.303 -10.938 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.244 -11.435 -9.673 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.617 -13.511 -10.113 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.462 -14.261 -11.705 1.00 0.00 H new ATOM 936 N VAL A 60 5.222 -10.014 -7.684 1.00 0.00 N ATOM 937 CA VAL A 60 6.232 -9.016 -7.373 1.00 0.00 C ATOM 938 C VAL A 60 7.057 -8.725 -8.628 1.00 0.00 C ATOM 939 O VAL A 60 7.446 -9.644 -9.347 1.00 0.00 O ATOM 940 CB VAL A 60 7.084 -9.485 -6.192 1.00 0.00 C ATOM 941 CG1 VAL A 60 7.994 -8.361 -5.693 1.00 0.00 C ATOM 942 CG2 VAL A 60 6.205 -10.023 -5.061 1.00 0.00 C ATOM 0 H VAL A 60 5.489 -10.974 -7.465 1.00 0.00 H new ATOM 0 HA VAL A 60 5.764 -8.080 -7.067 1.00 0.00 H new ATOM 0 HB VAL A 60 7.718 -10.301 -6.539 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.589 -8.720 -4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.657 -8.045 -6.498 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.385 -7.516 -5.371 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.836 -10.350 -4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.533 -9.237 -4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.619 -10.867 -5.426 1.00 0.00 H new ATOM 952 N THR A 61 7.301 -7.442 -8.853 1.00 0.00 N ATOM 953 CA THR A 61 8.074 -7.018 -10.008 1.00 0.00 C ATOM 954 C THR A 61 9.485 -6.608 -9.584 1.00 0.00 C ATOM 955 O THR A 61 10.442 -6.796 -10.335 1.00 0.00 O ATOM 956 CB THR A 61 7.301 -5.899 -10.708 1.00 0.00 C ATOM 957 OG1 THR A 61 7.283 -4.840 -9.756 1.00 0.00 O ATOM 958 CG2 THR A 61 5.823 -6.244 -10.909 1.00 0.00 C ATOM 0 H THR A 61 6.977 -6.682 -8.255 1.00 0.00 H new ATOM 0 HA THR A 61 8.206 -7.835 -10.717 1.00 0.00 H new ATOM 0 HB THR A 61 7.760 -5.692 -11.675 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.802 -4.072 -10.130 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.321 -5.416 -11.410 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.739 -7.143 -11.520 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.355 -6.419 -9.940 1.00 0.00 H new ATOM 966 N ASP A 62 9.571 -6.056 -8.383 1.00 0.00 N ATOM 967 CA ASP A 62 10.850 -5.618 -7.850 1.00 0.00 C ATOM 968 C ASP A 62 10.747 -5.487 -6.329 1.00 0.00 C ATOM 969 O ASP A 62 9.810 -4.877 -5.818 1.00 0.00 O ATOM 970 CB ASP A 62 11.244 -4.252 -8.417 1.00 0.00 C ATOM 971 CG ASP A 62 12.410 -4.275 -9.407 1.00 0.00 C ATOM 972 OD1 ASP A 62 12.609 -5.343 -10.025 1.00 0.00 O ATOM 973 OD2 ASP A 62 13.075 -3.223 -9.525 1.00 0.00 O ATOM 0 H ASP A 62 8.776 -5.902 -7.763 1.00 0.00 H new ATOM 0 HA ASP A 62 11.602 -6.356 -8.130 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.376 -3.816 -8.911 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.503 -3.593 -7.589 1.00 0.00 H new ATOM 978 N VAL A 63 11.723 -6.071 -5.650 1.00 0.00 N ATOM 979 CA VAL A 63 11.753 -6.028 -4.198 1.00 0.00 C ATOM 980 C VAL A 63 13.191 -6.233 -3.716 1.00 0.00 C ATOM 981 O VAL A 63 13.742 -7.325 -3.845 1.00 0.00 O ATOM 982 CB VAL A 63 10.777 -7.056 -3.623 1.00 0.00 C ATOM 983 CG1 VAL A 63 10.902 -8.396 -4.349 1.00 0.00 C ATOM 984 CG2 VAL A 63 10.985 -7.227 -2.117 1.00 0.00 C ATOM 0 H VAL A 63 12.499 -6.576 -6.078 1.00 0.00 H new ATOM 0 HA VAL A 63 11.425 -5.053 -3.838 1.00 0.00 H new ATOM 0 HB VAL A 63 9.765 -6.682 -3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.197 -9.109 -3.921 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.681 -8.258 -5.407 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.917 -8.777 -4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.279 -7.963 -1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 63 12.003 -7.567 -1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.822 -6.273 -1.616 1.00 0.00 H new ATOM 994 N GLU A 64 13.756 -5.167 -3.170 1.00 0.00 N ATOM 995 CA GLU A 64 15.119 -5.217 -2.667 1.00 0.00 C ATOM 996 C GLU A 64 15.323 -4.160 -1.580 1.00 0.00 C ATOM 997 O GLU A 64 15.432 -2.972 -1.877 1.00 0.00 O ATOM 998 CB GLU A 64 16.129 -5.037 -3.803 1.00 0.00 C ATOM 999 CG GLU A 64 17.558 -5.264 -3.307 1.00 0.00 C ATOM 1000 CD GLU A 64 18.136 -6.561 -3.876 1.00 0.00 C ATOM 1001 OE1 GLU A 64 18.537 -6.532 -5.059 1.00 0.00 O ATOM 1002 OE2 GLU A 64 18.164 -7.552 -3.115 1.00 0.00 O ATOM 0 H GLU A 64 13.295 -4.263 -3.065 1.00 0.00 H new ATOM 0 HA GLU A 64 15.287 -6.200 -2.227 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.904 -5.736 -4.608 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.040 -4.033 -4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.186 -4.423 -3.599 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.567 -5.305 -2.218 1.00 0.00 H new ATOM 1009 N ARG A 65 15.368 -4.632 -0.342 1.00 0.00 N ATOM 1010 CA ARG A 65 15.557 -3.743 0.791 1.00 0.00 C ATOM 1011 C ARG A 65 14.459 -2.678 0.819 1.00 0.00 C ATOM 1012 O ARG A 65 13.750 -2.486 -0.167 1.00 0.00 O ATOM 1013 CB ARG A 65 16.923 -3.055 0.730 1.00 0.00 C ATOM 1014 CG ARG A 65 17.953 -3.807 1.575 1.00 0.00 C ATOM 1015 CD ARG A 65 18.982 -2.843 2.171 1.00 0.00 C ATOM 1016 NE ARG A 65 20.244 -2.910 1.400 1.00 0.00 N ATOM 1017 CZ ARG A 65 21.304 -2.122 1.624 1.00 0.00 C ATOM 1018 NH1 ARG A 65 21.260 -1.201 2.597 1.00 0.00 N ATOM 1019 NH2 ARG A 65 22.407 -2.254 0.875 1.00 0.00 N ATOM 0 H ARG A 65 15.277 -5.619 -0.100 1.00 0.00 H new ATOM 0 HA ARG A 65 15.507 -4.346 1.697 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.263 -3.004 -0.304 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.834 -2.029 1.087 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.448 -4.346 2.376 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.460 -4.551 0.960 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.591 -1.826 2.156 1.00 0.00 H new ATOM 0 HD3 ARG A 65 19.169 -3.097 3.214 1.00 0.00 H new ATOM 0 HE ARG A 65 20.311 -3.599 0.651 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.420 -1.100 3.166 1.00 0.00 H new ATOM 0 HH12 ARG A 65 22.067 -0.601 2.768 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.440 -2.954 0.134 1.00 0.00 H new ATOM 0 HH22 ARG A 65 23.214 -1.654 1.046 1.00 0.00 H new ATOM 1033 N PRO A 66 14.350 -1.995 1.990 1.00 0.00 N ATOM 1034 CA PRO A 66 13.350 -0.955 2.160 1.00 0.00 C ATOM 1035 C PRO A 66 13.753 0.319 1.415 1.00 0.00 C ATOM 1036 O PRO A 66 13.826 1.393 2.010 1.00 0.00 O ATOM 1037 CB PRO A 66 13.242 -0.755 3.663 1.00 0.00 C ATOM 1038 CG PRO A 66 14.508 -1.353 4.255 1.00 0.00 C ATOM 1039 CD PRO A 66 15.173 -2.195 3.180 1.00 0.00 C ATOM 0 HA PRO A 66 12.383 -1.228 1.738 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.157 0.303 3.911 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.355 -1.248 4.060 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.181 -0.565 4.593 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.270 -1.964 5.126 1.00 0.00 H new ATOM 0 HD2 PRO A 66 16.201 -1.877 3.008 1.00 0.00 H new ATOM 0 HD3 PRO A 66 15.208 -3.246 3.465 1.00 0.00 H new ATOM 1047 N ILE A 67 14.003 0.157 0.124 1.00 0.00 N ATOM 1048 CA ILE A 67 14.396 1.282 -0.708 1.00 0.00 C ATOM 1049 C ILE A 67 13.451 1.378 -1.908 1.00 0.00 C ATOM 1050 O ILE A 67 13.083 2.474 -2.326 1.00 0.00 O ATOM 1051 CB ILE A 67 15.872 1.171 -1.096 1.00 0.00 C ATOM 1052 CG1 ILE A 67 16.154 -0.155 -1.807 1.00 0.00 C ATOM 1053 CG2 ILE A 67 16.776 1.372 0.122 1.00 0.00 C ATOM 1054 CD1 ILE A 67 16.534 0.078 -3.270 1.00 0.00 C ATOM 0 H ILE A 67 13.941 -0.735 -0.366 1.00 0.00 H new ATOM 0 HA ILE A 67 14.305 2.216 -0.154 1.00 0.00 H new ATOM 0 HB ILE A 67 16.101 1.970 -1.802 1.00 0.00 H new ATOM 0 HG12 ILE A 67 16.961 -0.681 -1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 67 15.273 -0.795 -1.754 1.00 0.00 H new ATOM 0 HG21 ILE A 67 17.820 1.288 -0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 67 16.600 2.360 0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 67 16.553 0.611 0.870 1.00 0.00 H new ATOM 0 HD11 ILE A 67 16.729 -0.880 -3.752 1.00 0.00 H new ATOM 0 HD12 ILE A 67 15.715 0.582 -3.783 1.00 0.00 H new ATOM 0 HD13 ILE A 67 17.429 0.698 -3.319 1.00 0.00 H new ATOM 1066 N LYS A 68 13.085 0.215 -2.426 1.00 0.00 N ATOM 1067 CA LYS A 68 12.189 0.155 -3.569 1.00 0.00 C ATOM 1068 C LYS A 68 11.441 -1.180 -3.555 1.00 0.00 C ATOM 1069 O LYS A 68 12.054 -2.240 -3.680 1.00 0.00 O ATOM 1070 CB LYS A 68 12.957 0.416 -4.866 1.00 0.00 C ATOM 1071 CG LYS A 68 12.070 0.171 -6.088 1.00 0.00 C ATOM 1072 CD LYS A 68 12.122 1.358 -7.051 1.00 0.00 C ATOM 1073 CE LYS A 68 12.153 0.884 -8.506 1.00 0.00 C ATOM 1074 NZ LYS A 68 12.771 1.911 -9.373 1.00 0.00 N ATOM 0 H LYS A 68 13.392 -0.693 -2.076 1.00 0.00 H new ATOM 0 HA LYS A 68 11.438 0.943 -3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.321 1.443 -4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.832 -0.233 -4.911 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.395 -0.733 -6.602 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.042 0.003 -5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.254 1.998 -6.892 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.006 1.961 -6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.714 -0.048 -8.579 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.140 0.673 -8.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.784 1.573 -10.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.219 2.791 -9.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.745 2.092 -9.056 1.00 0.00 H new ATOM 1088 N LEU A 69 10.129 -1.085 -3.403 1.00 0.00 N ATOM 1089 CA LEU A 69 9.291 -2.272 -3.372 1.00 0.00 C ATOM 1090 C LEU A 69 8.074 -2.056 -4.273 1.00 0.00 C ATOM 1091 O LEU A 69 7.375 -1.052 -4.149 1.00 0.00 O ATOM 1092 CB LEU A 69 8.932 -2.636 -1.930 1.00 0.00 C ATOM 1093 CG LEU A 69 8.135 -3.929 -1.743 1.00 0.00 C ATOM 1094 CD1 LEU A 69 9.040 -5.155 -1.875 1.00 0.00 C ATOM 1095 CD2 LEU A 69 7.375 -3.918 -0.415 1.00 0.00 C ATOM 0 H LEU A 69 9.625 -0.204 -3.300 1.00 0.00 H new ATOM 0 HA LEU A 69 9.832 -3.131 -3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.855 -2.715 -1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.359 -1.814 -1.501 1.00 0.00 H new ATOM 0 HG LEU A 69 7.392 -3.990 -2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.449 -6.060 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.496 -5.166 -2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.821 -5.114 -1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.817 -4.848 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.083 -3.822 0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.683 -3.076 -0.399 1.00 0.00 H new ATOM 1107 N SER A 70 7.858 -3.016 -5.162 1.00 0.00 N ATOM 1108 CA SER A 70 6.738 -2.943 -6.084 1.00 0.00 C ATOM 1109 C SER A 70 6.019 -4.292 -6.141 1.00 0.00 C ATOM 1110 O SER A 70 6.655 -5.342 -6.060 1.00 0.00 O ATOM 1111 CB SER A 70 7.201 -2.528 -7.482 1.00 0.00 C ATOM 1112 OG SER A 70 6.116 -2.090 -8.295 1.00 0.00 O ATOM 0 H SER A 70 8.440 -3.848 -5.263 1.00 0.00 H new ATOM 0 HA SER A 70 6.045 -2.184 -5.721 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.937 -1.728 -7.398 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.699 -3.370 -7.964 1.00 0.00 H new ATOM 0 HG SER A 70 6.453 -1.832 -9.179 1.00 0.00 H new ATOM 1118 N PHE A 71 4.703 -4.221 -6.281 1.00 0.00 N ATOM 1119 CA PHE A 71 3.891 -5.424 -6.350 1.00 0.00 C ATOM 1120 C PHE A 71 2.561 -5.147 -7.052 1.00 0.00 C ATOM 1121 O PHE A 71 1.884 -4.167 -6.746 1.00 0.00 O ATOM 1122 CB PHE A 71 3.614 -5.859 -4.910 1.00 0.00 C ATOM 1123 CG PHE A 71 2.635 -4.951 -4.163 1.00 0.00 C ATOM 1124 CD1 PHE A 71 2.964 -3.655 -3.915 1.00 0.00 C ATOM 1125 CD2 PHE A 71 1.436 -5.439 -3.747 1.00 0.00 C ATOM 1126 CE1 PHE A 71 2.056 -2.812 -3.221 1.00 0.00 C ATOM 1127 CE2 PHE A 71 0.528 -4.596 -3.053 1.00 0.00 C ATOM 1128 CZ PHE A 71 0.857 -3.300 -2.805 1.00 0.00 C ATOM 0 H PHE A 71 4.179 -3.349 -6.349 1.00 0.00 H new ATOM 0 HA PHE A 71 4.415 -6.196 -6.914 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.218 -6.874 -4.918 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.556 -5.889 -4.363 1.00 0.00 H new ATOM 0 HD1 PHE A 71 3.916 -3.267 -4.246 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.174 -6.468 -3.944 1.00 0.00 H new ATOM 0 HE1 PHE A 71 2.318 -1.783 -3.024 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.424 -4.984 -2.722 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.166 -2.659 -2.278 1.00 0.00 H new ATOM 1138 N THR A 72 2.225 -6.030 -7.982 1.00 0.00 N ATOM 1139 CA THR A 72 0.987 -5.893 -8.731 1.00 0.00 C ATOM 1140 C THR A 72 -0.136 -6.682 -8.054 1.00 0.00 C ATOM 1141 O THR A 72 0.088 -7.787 -7.560 1.00 0.00 O ATOM 1142 CB THR A 72 1.255 -6.331 -10.172 1.00 0.00 C ATOM 1143 OG1 THR A 72 1.522 -7.727 -10.066 1.00 0.00 O ATOM 1144 CG2 THR A 72 2.553 -5.745 -10.730 1.00 0.00 C ATOM 0 H THR A 72 2.788 -6.842 -8.234 1.00 0.00 H new ATOM 0 HA THR A 72 0.648 -4.857 -8.749 1.00 0.00 H new ATOM 0 HB THR A 72 0.420 -6.030 -10.804 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.383 -7.862 -9.618 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.696 -6.087 -11.755 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.497 -4.657 -10.715 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.393 -6.073 -10.118 1.00 0.00 H new ATOM 1152 N TRP A 73 -1.319 -6.086 -8.054 1.00 0.00 N ATOM 1153 CA TRP A 73 -2.476 -6.719 -7.446 1.00 0.00 C ATOM 1154 C TRP A 73 -3.625 -6.672 -8.455 1.00 0.00 C ATOM 1155 O TRP A 73 -3.938 -5.612 -8.996 1.00 0.00 O ATOM 1156 CB TRP A 73 -2.825 -6.058 -6.111 1.00 0.00 C ATOM 1157 CG TRP A 73 -4.180 -6.483 -5.542 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -4.817 -7.650 -5.711 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -5.045 -5.692 -4.699 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -6.024 -7.669 -5.042 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -6.167 -6.441 -4.407 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -4.885 -4.387 -4.201 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -7.215 -5.971 -3.607 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -5.941 -3.932 -3.402 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -7.077 -4.674 -3.099 1.00 0.00 C ATOM 0 H TRP A 73 -1.501 -5.171 -8.466 1.00 0.00 H new ATOM 0 HA TRP A 73 -2.264 -7.761 -7.207 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -2.047 -6.295 -5.385 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -2.820 -4.976 -6.241 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -4.434 -8.472 -6.297 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -6.689 -8.442 -5.018 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -4.016 -3.783 -4.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -8.083 -6.576 -3.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -5.868 -2.935 -2.993 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -7.850 -4.251 -2.474 1.00 0.00 H new ATOM 1176 N ASP A 74 -4.223 -7.833 -8.678 1.00 0.00 N ATOM 1177 CA ASP A 74 -5.331 -7.937 -9.613 1.00 0.00 C ATOM 1178 C ASP A 74 -4.784 -8.196 -11.018 1.00 0.00 C ATOM 1179 O ASP A 74 -5.499 -8.699 -11.883 1.00 0.00 O ATOM 1180 CB ASP A 74 -6.142 -6.641 -9.652 1.00 0.00 C ATOM 1181 CG ASP A 74 -7.608 -6.807 -10.056 1.00 0.00 C ATOM 1182 OD1 ASP A 74 -7.879 -7.750 -10.831 1.00 0.00 O ATOM 1183 OD2 ASP A 74 -8.424 -5.988 -9.582 1.00 0.00 O ATOM 0 H ASP A 74 -3.961 -8.710 -8.227 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.974 -8.754 -9.285 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.103 -6.176 -8.667 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -5.665 -5.952 -10.349 1.00 0.00 H new ATOM 1188 N THR A 75 -3.521 -7.839 -11.202 1.00 0.00 N ATOM 1189 CA THR A 75 -2.870 -8.026 -12.487 1.00 0.00 C ATOM 1190 C THR A 75 -3.856 -7.763 -13.628 1.00 0.00 C ATOM 1191 O THR A 75 -3.769 -8.386 -14.685 1.00 0.00 O ATOM 1192 CB THR A 75 -2.272 -9.434 -12.514 1.00 0.00 C ATOM 1193 OG1 THR A 75 -3.409 -10.294 -12.550 1.00 0.00 O ATOM 1194 CG2 THR A 75 -1.571 -9.798 -11.204 1.00 0.00 C ATOM 0 H THR A 75 -2.931 -7.421 -10.482 1.00 0.00 H new ATOM 0 HA THR A 75 -2.060 -7.310 -12.627 1.00 0.00 H new ATOM 0 HB THR A 75 -1.563 -9.511 -13.338 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.112 -11.228 -12.571 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.165 -10.807 -11.277 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.761 -9.093 -11.017 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.287 -9.754 -10.384 1.00 0.00 H new ATOM 1202 N ASP A 76 -4.771 -6.839 -13.374 1.00 0.00 N ATOM 1203 CA ASP A 76 -5.772 -6.485 -14.366 1.00 0.00 C ATOM 1204 C ASP A 76 -6.533 -5.244 -13.896 1.00 0.00 C ATOM 1205 O ASP A 76 -7.729 -5.111 -14.153 1.00 0.00 O ATOM 1206 CB ASP A 76 -6.784 -7.617 -14.555 1.00 0.00 C ATOM 1207 CG ASP A 76 -7.444 -7.671 -15.934 1.00 0.00 C ATOM 1208 OD1 ASP A 76 -8.345 -6.836 -16.165 1.00 0.00 O ATOM 1209 OD2 ASP A 76 -7.033 -8.547 -16.726 1.00 0.00 O ATOM 0 H ASP A 76 -4.840 -6.325 -12.496 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.260 -6.297 -15.310 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.282 -8.567 -14.372 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.563 -7.517 -13.800 1.00 0.00 H new ATOM 1214 N GLY A 77 -5.809 -4.367 -13.216 1.00 0.00 N ATOM 1215 CA GLY A 77 -6.401 -3.141 -12.708 1.00 0.00 C ATOM 1216 C GLY A 77 -5.370 -2.012 -12.664 1.00 0.00 C ATOM 1217 O GLY A 77 -5.160 -1.318 -13.658 1.00 0.00 O ATOM 0 H GLY A 77 -4.818 -4.481 -13.005 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -7.239 -2.848 -13.340 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.800 -3.313 -11.708 1.00 0.00 H new ATOM 1221 N TRP A 78 -4.753 -1.862 -11.501 1.00 0.00 N ATOM 1222 CA TRP A 78 -3.749 -0.829 -11.313 1.00 0.00 C ATOM 1223 C TRP A 78 -2.589 -1.435 -10.521 1.00 0.00 C ATOM 1224 O TRP A 78 -2.726 -2.508 -9.936 1.00 0.00 O ATOM 1225 CB TRP A 78 -4.352 0.406 -10.640 1.00 0.00 C ATOM 1226 CG TRP A 78 -5.812 0.667 -11.014 1.00 0.00 C ATOM 1227 CD1 TRP A 78 -6.303 1.075 -12.192 1.00 0.00 C ATOM 1228 CD2 TRP A 78 -6.960 0.521 -10.150 1.00 0.00 C ATOM 1229 NE1 TRP A 78 -7.676 1.202 -12.152 1.00 0.00 N ATOM 1230 CE2 TRP A 78 -8.088 0.855 -10.871 1.00 0.00 C ATOM 1231 CE3 TRP A 78 -7.041 0.121 -8.805 1.00 0.00 C ATOM 1232 CZ2 TRP A 78 -9.380 0.822 -10.331 1.00 0.00 C ATOM 1233 CZ3 TRP A 78 -8.339 0.093 -8.281 1.00 0.00 C ATOM 1234 CH2 TRP A 78 -9.485 0.426 -8.993 1.00 0.00 C ATOM 0 H TRP A 78 -4.929 -2.439 -10.679 1.00 0.00 H new ATOM 0 HA TRP A 78 -3.370 -0.481 -12.274 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.280 0.290 -9.559 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -3.757 1.280 -10.907 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.699 1.279 -13.064 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -8.278 1.496 -12.921 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.171 -0.144 -8.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.248 1.088 -10.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.458 -0.209 -7.251 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -10.453 0.379 -8.516 1.00 0.00 H new ATOM 1245 N SER A 79 -1.473 -0.722 -10.529 1.00 0.00 N ATOM 1246 CA SER A 79 -0.289 -1.176 -9.818 1.00 0.00 C ATOM 1247 C SER A 79 0.205 -0.081 -8.871 1.00 0.00 C ATOM 1248 O SER A 79 0.220 1.096 -9.230 1.00 0.00 O ATOM 1249 CB SER A 79 0.820 -1.574 -10.794 1.00 0.00 C ATOM 1250 OG SER A 79 0.602 -1.039 -12.097 1.00 0.00 O ATOM 0 H SER A 79 -1.363 0.167 -11.016 1.00 0.00 H new ATOM 0 HA SER A 79 -0.557 -2.057 -9.235 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.780 -1.224 -10.414 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.878 -2.661 -10.853 1.00 0.00 H new ATOM 0 HG SER A 79 1.332 -1.314 -12.690 1.00 0.00 H new ATOM 1256 N VAL A 80 0.597 -0.506 -7.679 1.00 0.00 N ATOM 1257 CA VAL A 80 1.090 0.423 -6.677 1.00 0.00 C ATOM 1258 C VAL A 80 2.552 0.099 -6.363 1.00 0.00 C ATOM 1259 O VAL A 80 2.947 -1.066 -6.361 1.00 0.00 O ATOM 1260 CB VAL A 80 0.191 0.386 -5.441 1.00 0.00 C ATOM 1261 CG1 VAL A 80 0.056 -1.040 -4.903 1.00 0.00 C ATOM 1262 CG2 VAL A 80 0.708 1.334 -4.357 1.00 0.00 C ATOM 0 H VAL A 80 0.583 -1.482 -7.385 1.00 0.00 H new ATOM 0 HA VAL A 80 1.057 1.445 -7.055 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.800 0.727 -5.739 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.589 -1.038 -4.024 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.380 -1.679 -5.671 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.040 -1.421 -4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.050 1.288 -3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.715 1.038 -4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.727 2.353 -4.744 1.00 0.00 H new ATOM 1272 N THR A 81 3.316 1.151 -6.106 1.00 0.00 N ATOM 1273 CA THR A 81 4.726 0.993 -5.791 1.00 0.00 C ATOM 1274 C THR A 81 5.036 1.593 -4.418 1.00 0.00 C ATOM 1275 O THR A 81 4.530 2.660 -4.074 1.00 0.00 O ATOM 1276 CB THR A 81 5.537 1.621 -6.926 1.00 0.00 C ATOM 1277 OG1 THR A 81 4.974 1.058 -8.108 1.00 0.00 O ATOM 1278 CG2 THR A 81 6.990 1.142 -6.941 1.00 0.00 C ATOM 0 H THR A 81 2.985 2.116 -6.109 1.00 0.00 H new ATOM 0 HA THR A 81 5.000 -0.060 -5.720 1.00 0.00 H new ATOM 0 HB THR A 81 5.513 2.707 -6.832 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.440 1.413 -8.894 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.521 1.618 -7.765 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.470 1.407 -5.999 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.015 0.060 -7.069 1.00 0.00 H new ATOM 1286 N PHE A 82 5.867 0.881 -3.671 1.00 0.00 N ATOM 1287 CA PHE A 82 6.251 1.330 -2.343 1.00 0.00 C ATOM 1288 C PHE A 82 7.671 1.900 -2.347 1.00 0.00 C ATOM 1289 O PHE A 82 8.526 1.441 -3.102 1.00 0.00 O ATOM 1290 CB PHE A 82 6.208 0.105 -1.427 1.00 0.00 C ATOM 1291 CG PHE A 82 4.798 -0.292 -0.986 1.00 0.00 C ATOM 1292 CD1 PHE A 82 3.984 0.627 -0.400 1.00 0.00 C ATOM 1293 CD2 PHE A 82 4.358 -1.565 -1.179 1.00 0.00 C ATOM 1294 CE1 PHE A 82 2.676 0.258 0.009 1.00 0.00 C ATOM 1295 CE2 PHE A 82 3.050 -1.934 -0.770 1.00 0.00 C ATOM 1296 CZ PHE A 82 2.236 -1.015 -0.184 1.00 0.00 C ATOM 0 H PHE A 82 6.285 -0.003 -3.960 1.00 0.00 H new ATOM 0 HA PHE A 82 5.574 2.115 -2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.667 -0.738 -1.943 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.812 0.304 -0.542 1.00 0.00 H new ATOM 0 HD1 PHE A 82 4.333 1.637 -0.246 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.004 -2.295 -1.644 1.00 0.00 H new ATOM 0 HE1 PHE A 82 2.030 0.988 0.474 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.701 -2.944 -0.924 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.241 -1.296 0.128 1.00 0.00 H new ATOM 1306 N HIS A 83 7.878 2.892 -1.493 1.00 0.00 N ATOM 1307 CA HIS A 83 9.180 3.529 -1.388 1.00 0.00 C ATOM 1308 C HIS A 83 9.482 3.840 0.079 1.00 0.00 C ATOM 1309 O HIS A 83 8.795 4.650 0.700 1.00 0.00 O ATOM 1310 CB HIS A 83 9.253 4.767 -2.284 1.00 0.00 C ATOM 1311 CG HIS A 83 8.926 4.496 -3.733 1.00 0.00 C ATOM 1312 ND1 HIS A 83 9.623 3.578 -4.500 1.00 0.00 N ATOM 1313 CD2 HIS A 83 7.971 5.031 -4.546 1.00 0.00 C ATOM 1314 CE1 HIS A 83 9.102 3.570 -5.718 1.00 0.00 C ATOM 1315 NE2 HIS A 83 8.079 4.471 -5.745 1.00 0.00 N ATOM 0 H HIS A 83 7.166 3.270 -0.868 1.00 0.00 H new ATOM 0 HA HIS A 83 9.952 2.848 -1.745 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.565 5.521 -1.902 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.256 5.190 -2.221 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.249 5.783 -4.263 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.430 2.957 -6.545 1.00 0.00 H new ATOM 0 HE2 HIS A 83 7.493 4.680 -6.553 1.00 0.00 H new ATOM 1323 N LEU A 84 10.510 3.181 0.592 1.00 0.00 N ATOM 1324 CA LEU A 84 10.912 3.377 1.974 1.00 0.00 C ATOM 1325 C LEU A 84 12.288 4.045 2.011 1.00 0.00 C ATOM 1326 O LEU A 84 13.045 3.968 1.045 1.00 0.00 O ATOM 1327 CB LEU A 84 10.849 2.056 2.743 1.00 0.00 C ATOM 1328 CG LEU A 84 9.462 1.627 3.228 1.00 0.00 C ATOM 1329 CD1 LEU A 84 8.853 0.582 2.293 1.00 0.00 C ATOM 1330 CD2 LEU A 84 9.515 1.139 4.677 1.00 0.00 C ATOM 0 H LEU A 84 11.077 2.510 0.074 1.00 0.00 H new ATOM 0 HA LEU A 84 10.218 4.048 2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.249 1.268 2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.508 2.131 3.608 1.00 0.00 H new ATOM 0 HG LEU A 84 8.808 2.498 3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.868 0.295 2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.758 1.001 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.498 -0.296 2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.517 0.840 4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.190 0.286 4.749 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.876 1.943 5.319 1.00 0.00 H new ATOM 1342 N LYS A 85 12.569 4.685 3.137 1.00 0.00 N ATOM 1343 CA LYS A 85 13.840 5.367 3.312 1.00 0.00 C ATOM 1344 C LYS A 85 13.979 5.811 4.770 1.00 0.00 C ATOM 1345 O LYS A 85 13.223 6.661 5.238 1.00 0.00 O ATOM 1346 CB LYS A 85 13.979 6.510 2.305 1.00 0.00 C ATOM 1347 CG LYS A 85 12.802 7.482 2.413 1.00 0.00 C ATOM 1348 CD LYS A 85 12.609 8.256 1.108 1.00 0.00 C ATOM 1349 CE LYS A 85 12.770 9.761 1.335 1.00 0.00 C ATOM 1350 NZ LYS A 85 12.651 10.494 0.054 1.00 0.00 N ATOM 0 H LYS A 85 11.939 4.745 3.937 1.00 0.00 H new ATOM 0 HA LYS A 85 14.668 4.689 3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.913 7.043 2.481 1.00 0.00 H new ATOM 0 HB3 LYS A 85 14.029 6.105 1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.892 6.932 2.652 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.976 8.180 3.232 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.334 7.916 0.369 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.619 8.050 0.701 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.011 10.113 2.034 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.740 9.965 1.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.763 11.514 0.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.391 10.170 -0.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.716 10.314 -0.364 1.00 0.00 H new ATOM 1364 N GLU A 86 14.950 5.215 5.447 1.00 0.00 N ATOM 1365 CA GLU A 86 15.197 5.538 6.842 1.00 0.00 C ATOM 1366 C GLU A 86 15.713 6.973 6.970 1.00 0.00 C ATOM 1367 O GLU A 86 16.654 7.362 6.281 1.00 0.00 O ATOM 1368 CB GLU A 86 16.176 4.545 7.470 1.00 0.00 C ATOM 1369 CG GLU A 86 16.066 4.556 8.996 1.00 0.00 C ATOM 1370 CD GLU A 86 17.278 5.244 9.628 1.00 0.00 C ATOM 1371 OE1 GLU A 86 17.533 6.407 9.247 1.00 0.00 O ATOM 1372 OE2 GLU A 86 17.922 4.591 10.477 1.00 0.00 O ATOM 0 H GLU A 86 15.575 4.510 5.055 1.00 0.00 H new ATOM 0 HA GLU A 86 14.255 5.461 7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.973 3.542 7.095 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.194 4.796 7.174 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.154 5.072 9.295 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.990 3.534 9.366 1.00 0.00 H new ATOM 1379 N GLU A 87 15.074 7.720 7.858 1.00 0.00 N ATOM 1380 CA GLU A 87 15.457 9.103 8.086 1.00 0.00 C ATOM 1381 C GLU A 87 15.885 9.303 9.542 1.00 0.00 C ATOM 1382 O GLU A 87 15.852 8.364 10.336 1.00 0.00 O ATOM 1383 CB GLU A 87 14.319 10.056 7.714 1.00 0.00 C ATOM 1384 CG GLU A 87 14.677 10.880 6.475 1.00 0.00 C ATOM 1385 CD GLU A 87 15.604 12.042 6.838 1.00 0.00 C ATOM 1386 OE1 GLU A 87 15.077 13.044 7.368 1.00 0.00 O ATOM 1387 OE2 GLU A 87 16.818 11.901 6.578 1.00 0.00 O ATOM 0 H GLU A 87 14.294 7.394 8.428 1.00 0.00 H new ATOM 0 HA GLU A 87 16.306 9.334 7.443 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.409 9.486 7.526 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.110 10.723 8.551 1.00 0.00 H new ATOM 0 HG2 GLU A 87 15.161 10.241 5.736 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.767 11.266 6.015 1.00 0.00 H new ATOM 1394 N GLU A 88 16.275 10.531 9.847 1.00 0.00 N ATOM 1395 CA GLU A 88 16.709 10.866 11.193 1.00 0.00 C ATOM 1396 C GLU A 88 15.570 10.641 12.189 1.00 0.00 C ATOM 1397 O GLU A 88 15.700 9.844 13.117 1.00 0.00 O ATOM 1398 CB GLU A 88 17.221 12.306 11.262 1.00 0.00 C ATOM 1399 CG GLU A 88 18.722 12.369 10.977 1.00 0.00 C ATOM 1400 CD GLU A 88 19.492 12.878 12.197 1.00 0.00 C ATOM 1401 OE1 GLU A 88 19.000 12.635 13.320 1.00 0.00 O ATOM 1402 OE2 GLU A 88 20.555 13.499 11.979 1.00 0.00 O ATOM 0 H GLU A 88 16.300 11.307 9.185 1.00 0.00 H new ATOM 0 HA GLU A 88 17.536 10.208 11.461 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.684 12.921 10.540 1.00 0.00 H new ATOM 0 HB3 GLU A 88 17.017 12.721 12.249 1.00 0.00 H new ATOM 0 HG2 GLU A 88 19.085 11.379 10.701 1.00 0.00 H new ATOM 0 HG3 GLU A 88 18.907 13.025 10.126 1.00 0.00 H new ATOM 1409 N ASN A 89 14.478 11.356 11.962 1.00 0.00 N ATOM 1410 CA ASN A 89 13.316 11.244 12.828 1.00 0.00 C ATOM 1411 C ASN A 89 12.955 9.767 13.001 1.00 0.00 C ATOM 1412 O ASN A 89 12.783 9.294 14.123 1.00 0.00 O ATOM 1413 CB ASN A 89 12.107 11.960 12.223 1.00 0.00 C ATOM 1414 CG ASN A 89 11.789 13.244 12.991 1.00 0.00 C ATOM 1415 OD1 ASN A 89 12.483 13.633 13.916 1.00 0.00 O ATOM 1416 ND2 ASN A 89 10.705 13.880 12.556 1.00 0.00 N ATOM 0 H ASN A 89 14.373 12.015 11.191 1.00 0.00 H new ATOM 0 HA ASN A 89 13.563 11.702 13.786 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.306 12.197 11.178 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.241 11.298 12.241 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.410 14.748 13.002 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.169 13.499 11.776 1.00 0.00 H new ATOM 1423 N GLY A 90 12.849 9.081 11.872 1.00 0.00 N ATOM 1424 CA GLY A 90 12.511 7.668 11.884 1.00 0.00 C ATOM 1425 C GLY A 90 12.543 7.085 10.470 1.00 0.00 C ATOM 1426 O GLY A 90 13.536 7.229 9.758 1.00 0.00 O ATOM 0 H GLY A 90 12.991 9.478 10.943 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.212 7.128 12.520 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.519 7.531 12.315 1.00 0.00 H new ATOM 1430 N THR A 91 11.446 6.437 10.107 1.00 0.00 N ATOM 1431 CA THR A 91 11.336 5.831 8.791 1.00 0.00 C ATOM 1432 C THR A 91 10.353 6.618 7.921 1.00 0.00 C ATOM 1433 O THR A 91 9.405 7.212 8.432 1.00 0.00 O ATOM 1434 CB THR A 91 10.943 4.364 8.977 1.00 0.00 C ATOM 1435 OG1 THR A 91 12.043 3.798 9.685 1.00 0.00 O ATOM 1436 CG2 THR A 91 10.915 3.594 7.655 1.00 0.00 C ATOM 0 H THR A 91 10.626 6.318 10.701 1.00 0.00 H new ATOM 0 HA THR A 91 12.288 5.863 8.261 1.00 0.00 H new ATOM 0 HB THR A 91 9.963 4.307 9.451 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.908 3.917 10.648 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.631 2.559 7.843 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.191 4.053 6.982 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.904 3.621 7.197 1.00 0.00 H new ATOM 1444 N ILE A 92 10.613 6.596 6.622 1.00 0.00 N ATOM 1445 CA ILE A 92 9.763 7.300 5.677 1.00 0.00 C ATOM 1446 C ILE A 92 9.063 6.284 4.773 1.00 0.00 C ATOM 1447 O ILE A 92 9.689 5.338 4.295 1.00 0.00 O ATOM 1448 CB ILE A 92 10.569 8.352 4.912 1.00 0.00 C ATOM 1449 CG1 ILE A 92 11.178 9.378 5.869 1.00 0.00 C ATOM 1450 CG2 ILE A 92 9.716 9.014 3.828 1.00 0.00 C ATOM 1451 CD1 ILE A 92 10.107 10.327 6.410 1.00 0.00 C ATOM 0 H ILE A 92 11.400 6.102 6.202 1.00 0.00 H new ATOM 0 HA ILE A 92 8.983 7.850 6.203 1.00 0.00 H new ATOM 0 HB ILE A 92 11.396 7.851 4.409 1.00 0.00 H new ATOM 0 HG12 ILE A 92 11.665 8.864 6.697 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.948 9.950 5.352 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.312 9.758 3.299 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.372 8.257 3.123 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.855 9.500 4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.567 11.046 7.088 1.00 0.00 H new ATOM 0 HD12 ILE A 92 9.639 10.858 5.581 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.351 9.754 6.947 1.00 0.00 H new ATOM 1463 N PHE A 93 7.775 6.513 4.565 1.00 0.00 N ATOM 1464 CA PHE A 93 6.983 5.629 3.726 1.00 0.00 C ATOM 1465 C PHE A 93 6.209 6.422 2.671 1.00 0.00 C ATOM 1466 O PHE A 93 5.483 7.358 3.003 1.00 0.00 O ATOM 1467 CB PHE A 93 5.988 4.915 4.643 1.00 0.00 C ATOM 1468 CG PHE A 93 5.271 3.736 3.983 1.00 0.00 C ATOM 1469 CD1 PHE A 93 4.434 3.949 2.933 1.00 0.00 C ATOM 1470 CD2 PHE A 93 5.470 2.473 4.448 1.00 0.00 C ATOM 1471 CE1 PHE A 93 3.768 2.854 2.321 1.00 0.00 C ATOM 1472 CE2 PHE A 93 4.804 1.378 3.836 1.00 0.00 C ATOM 1473 CZ PHE A 93 3.967 1.592 2.786 1.00 0.00 C ATOM 0 H PHE A 93 7.260 7.298 4.963 1.00 0.00 H new ATOM 0 HA PHE A 93 7.634 4.926 3.207 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.516 4.557 5.527 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.244 5.634 4.985 1.00 0.00 H new ATOM 0 HD1 PHE A 93 4.275 4.952 2.564 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.134 2.303 5.282 1.00 0.00 H new ATOM 0 HE1 PHE A 93 3.104 3.024 1.487 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.962 0.375 4.205 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.460 0.759 2.321 1.00 0.00 H new ATOM 1483 N THR A 94 6.390 6.019 1.422 1.00 0.00 N ATOM 1484 CA THR A 94 5.717 6.680 0.317 1.00 0.00 C ATOM 1485 C THR A 94 5.003 5.653 -0.564 1.00 0.00 C ATOM 1486 O THR A 94 5.566 4.608 -0.886 1.00 0.00 O ATOM 1487 CB THR A 94 6.755 7.512 -0.439 1.00 0.00 C ATOM 1488 OG1 THR A 94 7.192 8.474 0.517 1.00 0.00 O ATOM 1489 CG2 THR A 94 6.132 8.352 -1.555 1.00 0.00 C ATOM 0 H THR A 94 6.993 5.243 1.151 1.00 0.00 H new ATOM 0 HA THR A 94 4.937 7.353 0.674 1.00 0.00 H new ATOM 0 HB THR A 94 7.512 6.851 -0.862 1.00 0.00 H new ATOM 0 HG1 THR A 94 7.868 9.055 0.111 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.912 8.923 -2.059 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.641 7.696 -2.273 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.399 9.037 -1.129 1.00 0.00 H new ATOM 1497 N ILE A 95 3.774 5.987 -0.929 1.00 0.00 N ATOM 1498 CA ILE A 95 2.977 5.107 -1.766 1.00 0.00 C ATOM 1499 C ILE A 95 2.682 5.804 -3.096 1.00 0.00 C ATOM 1500 O ILE A 95 2.460 7.013 -3.131 1.00 0.00 O ATOM 1501 CB ILE A 95 1.722 4.649 -1.020 1.00 0.00 C ATOM 1502 CG1 ILE A 95 0.713 4.016 -1.981 1.00 0.00 C ATOM 1503 CG2 ILE A 95 1.108 5.801 -0.222 1.00 0.00 C ATOM 1504 CD1 ILE A 95 -0.262 5.064 -2.522 1.00 0.00 C ATOM 0 H ILE A 95 3.311 6.855 -0.660 1.00 0.00 H new ATOM 0 HA ILE A 95 3.531 4.198 -1.998 1.00 0.00 H new ATOM 0 HB ILE A 95 2.012 3.879 -0.304 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.241 3.544 -2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.159 3.230 -1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.218 5.449 0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.833 6.167 0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.836 6.609 -0.901 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.968 4.587 -3.202 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.806 5.517 -1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 95 0.293 5.835 -3.057 1.00 0.00 H new ATOM 1516 N VAL A 96 2.690 5.011 -4.157 1.00 0.00 N ATOM 1517 CA VAL A 96 2.427 5.537 -5.486 1.00 0.00 C ATOM 1518 C VAL A 96 1.411 4.637 -6.194 1.00 0.00 C ATOM 1519 O VAL A 96 1.723 3.500 -6.544 1.00 0.00 O ATOM 1520 CB VAL A 96 3.738 5.683 -6.261 1.00 0.00 C ATOM 1521 CG1 VAL A 96 3.489 6.255 -7.657 1.00 0.00 C ATOM 1522 CG2 VAL A 96 4.739 6.543 -5.486 1.00 0.00 C ATOM 0 H VAL A 96 2.874 4.008 -4.124 1.00 0.00 H new ATOM 0 HA VAL A 96 1.990 6.534 -5.422 1.00 0.00 H new ATOM 0 HB VAL A 96 4.170 4.689 -6.379 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.437 6.349 -8.186 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.828 5.588 -8.211 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.024 7.237 -7.570 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.662 6.631 -6.058 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.317 7.535 -5.323 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.952 6.076 -4.524 1.00 0.00 H new ATOM 1532 N HIS A 97 0.218 5.180 -6.383 1.00 0.00 N ATOM 1533 CA HIS A 97 -0.845 4.441 -7.043 1.00 0.00 C ATOM 1534 C HIS A 97 -1.287 5.190 -8.301 1.00 0.00 C ATOM 1535 O HIS A 97 -1.753 6.326 -8.220 1.00 0.00 O ATOM 1536 CB HIS A 97 -2.000 4.172 -6.076 1.00 0.00 C ATOM 1537 CG HIS A 97 -3.008 3.170 -6.588 1.00 0.00 C ATOM 1538 ND1 HIS A 97 -4.372 3.400 -6.562 1.00 0.00 N ATOM 1539 CD2 HIS A 97 -2.835 1.934 -7.139 1.00 0.00 C ATOM 1540 CE1 HIS A 97 -4.984 2.343 -7.075 1.00 0.00 C ATOM 1541 NE2 HIS A 97 -4.030 1.435 -7.432 1.00 0.00 N ATOM 0 H HIS A 97 -0.037 6.123 -6.091 1.00 0.00 H new ATOM 0 HA HIS A 97 -0.474 3.465 -7.356 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.593 3.812 -5.131 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.511 5.112 -5.866 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -4.829 4.241 -6.208 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.887 1.445 -7.308 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -6.051 2.221 -7.190 1.00 0.00 H new ATOM 1549 N SER A 98 -1.125 4.525 -9.435 1.00 0.00 N ATOM 1550 CA SER A 98 -1.501 5.114 -10.709 1.00 0.00 C ATOM 1551 C SER A 98 -2.379 4.139 -11.496 1.00 0.00 C ATOM 1552 O SER A 98 -2.346 2.934 -11.255 1.00 0.00 O ATOM 1553 CB SER A 98 -0.265 5.494 -11.526 1.00 0.00 C ATOM 1554 OG SER A 98 0.686 6.218 -10.751 1.00 0.00 O ATOM 0 H SER A 98 -0.738 3.583 -9.498 1.00 0.00 H new ATOM 0 HA SER A 98 -2.066 6.025 -10.512 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.201 4.591 -11.920 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.568 6.096 -12.383 1.00 0.00 H new ATOM 0 HG SER A 98 1.461 6.440 -11.308 1.00 0.00 H new ATOM 1560 N GLY A 99 -3.145 4.698 -12.422 1.00 0.00 N ATOM 1561 CA GLY A 99 -4.030 3.894 -13.247 1.00 0.00 C ATOM 1562 C GLY A 99 -5.422 4.524 -13.334 1.00 0.00 C ATOM 1563 O GLY A 99 -6.414 3.901 -12.961 1.00 0.00 O ATOM 0 H GLY A 99 -3.171 5.698 -12.619 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.609 3.794 -14.247 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -4.107 2.889 -12.832 1.00 0.00 H new ATOM 1567 N TRP A 100 -5.450 5.753 -13.828 1.00 0.00 N ATOM 1568 CA TRP A 100 -6.703 6.475 -13.969 1.00 0.00 C ATOM 1569 C TRP A 100 -6.689 7.187 -15.323 1.00 0.00 C ATOM 1570 O TRP A 100 -5.681 7.169 -16.028 1.00 0.00 O ATOM 1571 CB TRP A 100 -6.921 7.430 -12.794 1.00 0.00 C ATOM 1572 CG TRP A 100 -6.609 6.817 -11.427 1.00 0.00 C ATOM 1573 CD1 TRP A 100 -5.440 6.814 -10.772 1.00 0.00 C ATOM 1574 CD2 TRP A 100 -7.532 6.112 -10.570 1.00 0.00 C ATOM 1575 NE1 TRP A 100 -5.542 6.162 -9.560 1.00 0.00 N ATOM 1576 CE2 TRP A 100 -6.854 5.722 -9.433 1.00 0.00 C ATOM 1577 CE3 TRP A 100 -8.894 5.815 -10.750 1.00 0.00 C ATOM 1578 CZ2 TRP A 100 -7.457 5.012 -8.388 1.00 0.00 C ATOM 1579 CZ3 TRP A 100 -9.482 5.106 -9.696 1.00 0.00 C ATOM 1580 CH2 TRP A 100 -8.813 4.705 -8.545 1.00 0.00 C ATOM 0 H TRP A 100 -4.625 6.267 -14.136 1.00 0.00 H new ATOM 0 HA TRP A 100 -7.549 5.787 -13.946 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -6.297 8.312 -12.936 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -7.957 7.768 -12.801 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -4.532 7.265 -11.145 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -4.792 6.028 -8.882 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -9.443 6.110 -11.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -6.905 4.717 -7.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -10.528 4.853 -9.783 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -9.338 4.159 -7.775 1.00 0.00 H new ATOM 1591 N LYS A 101 -7.820 7.797 -15.647 1.00 0.00 N ATOM 1592 CA LYS A 101 -7.950 8.514 -16.904 1.00 0.00 C ATOM 1593 C LYS A 101 -8.603 9.873 -16.646 1.00 0.00 C ATOM 1594 O LYS A 101 -8.535 10.398 -15.535 1.00 0.00 O ATOM 1595 CB LYS A 101 -8.694 7.660 -17.933 1.00 0.00 C ATOM 1596 CG LYS A 101 -8.150 6.230 -17.954 1.00 0.00 C ATOM 1597 CD LYS A 101 -8.887 5.378 -18.990 1.00 0.00 C ATOM 1598 CE LYS A 101 -7.950 4.966 -20.127 1.00 0.00 C ATOM 1599 NZ LYS A 101 -8.727 4.623 -21.340 1.00 0.00 N ATOM 0 H LYS A 101 -8.655 7.809 -15.061 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.968 8.709 -17.335 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.758 7.645 -17.697 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -8.593 8.106 -18.922 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.084 6.246 -18.183 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.257 5.782 -16.966 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.296 4.489 -18.510 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.730 5.938 -19.394 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -7.258 5.779 -20.349 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.349 4.111 -19.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.076 4.346 -22.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.370 3.833 -21.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.282 5.449 -21.642 1.00 0.00 H new ATOM 1613 N GLN A 102 -9.221 10.405 -17.690 1.00 0.00 N ATOM 1614 CA GLN A 102 -9.886 11.693 -17.590 1.00 0.00 C ATOM 1615 C GLN A 102 -11.017 11.628 -16.562 1.00 0.00 C ATOM 1616 O GLN A 102 -11.732 10.630 -16.482 1.00 0.00 O ATOM 1617 CB GLN A 102 -10.410 12.146 -18.954 1.00 0.00 C ATOM 1618 CG GLN A 102 -11.316 11.081 -19.575 1.00 0.00 C ATOM 1619 CD GLN A 102 -12.284 11.705 -20.584 1.00 0.00 C ATOM 1620 OE1 GLN A 102 -12.218 11.462 -21.778 1.00 0.00 O ATOM 1621 NE2 GLN A 102 -13.183 12.519 -20.039 1.00 0.00 N ATOM 0 H GLN A 102 -9.275 9.967 -18.610 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.158 12.431 -17.254 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -10.963 13.079 -18.844 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -9.572 12.349 -19.620 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -10.707 10.324 -20.070 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -11.879 10.575 -18.791 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -13.182 12.678 -19.032 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -13.873 12.984 -20.628 1.00 0.00 H new ATOM 1630 N GLY A 103 -11.144 12.705 -15.801 1.00 0.00 N ATOM 1631 CA GLY A 103 -12.176 12.784 -14.781 1.00 0.00 C ATOM 1632 C GLY A 103 -13.571 12.698 -15.405 1.00 0.00 C ATOM 1633 O GLY A 103 -14.231 13.718 -15.599 1.00 0.00 O ATOM 0 H GLY A 103 -10.549 13.531 -15.870 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -12.045 11.975 -14.062 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -12.077 13.719 -14.230 1.00 0.00 H new ATOM 1637 N ASP A 104 -13.978 11.473 -15.701 1.00 0.00 N ATOM 1638 CA ASP A 104 -15.282 11.242 -16.298 1.00 0.00 C ATOM 1639 C ASP A 104 -15.456 9.746 -16.569 1.00 0.00 C ATOM 1640 O ASP A 104 -16.469 9.157 -16.194 1.00 0.00 O ATOM 1641 CB ASP A 104 -15.417 11.982 -17.630 1.00 0.00 C ATOM 1642 CG ASP A 104 -16.852 12.321 -18.039 1.00 0.00 C ATOM 1643 OD1 ASP A 104 -17.419 13.240 -17.409 1.00 0.00 O ATOM 1644 OD2 ASP A 104 -17.349 11.654 -18.972 1.00 0.00 O ATOM 0 H ASP A 104 -13.428 10.630 -15.539 1.00 0.00 H new ATOM 0 HA ASP A 104 -16.040 11.607 -15.604 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -14.843 12.907 -17.574 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -14.966 11.374 -18.414 1.00 0.00 H new ATOM 1649 N THR A 105 -14.453 9.174 -17.218 1.00 0.00 N ATOM 1650 CA THR A 105 -14.482 7.758 -17.544 1.00 0.00 C ATOM 1651 C THR A 105 -14.801 6.931 -16.297 1.00 0.00 C ATOM 1652 O THR A 105 -13.929 6.702 -15.460 1.00 0.00 O ATOM 1653 CB THR A 105 -13.144 7.393 -18.189 1.00 0.00 C ATOM 1654 OG1 THR A 105 -12.171 7.917 -17.289 1.00 0.00 O ATOM 1655 CG2 THR A 105 -12.895 8.156 -19.492 1.00 0.00 C ATOM 0 H THR A 105 -13.614 9.666 -17.527 1.00 0.00 H new ATOM 0 HA THR A 105 -15.275 7.533 -18.257 1.00 0.00 H new ATOM 0 HB THR A 105 -13.116 6.321 -18.385 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.423 7.694 -16.369 1.00 0.00 H new ATOM 0 HG21 THR A 105 -11.932 7.860 -19.909 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.686 7.925 -20.206 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.889 9.227 -19.291 1.00 0.00 H new ATOM 1663 N LYS A 106 -16.053 6.504 -16.213 1.00 0.00 N ATOM 1664 CA LYS A 106 -16.497 5.707 -15.082 1.00 0.00 C ATOM 1665 C LYS A 106 -15.593 4.481 -14.941 1.00 0.00 C ATOM 1666 O LYS A 106 -14.958 4.059 -15.906 1.00 0.00 O ATOM 1667 CB LYS A 106 -17.982 5.364 -15.220 1.00 0.00 C ATOM 1668 CG LYS A 106 -18.515 4.714 -13.941 1.00 0.00 C ATOM 1669 CD LYS A 106 -20.040 4.818 -13.868 1.00 0.00 C ATOM 1670 CE LYS A 106 -20.705 3.627 -14.560 1.00 0.00 C ATOM 1671 NZ LYS A 106 -21.222 4.023 -15.889 1.00 0.00 N ATOM 0 H LYS A 106 -16.773 6.695 -16.909 1.00 0.00 H new ATOM 0 HA LYS A 106 -16.409 6.276 -14.156 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -18.550 6.269 -15.436 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -18.126 4.688 -16.063 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -18.216 3.666 -13.910 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -18.072 5.198 -13.071 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -20.356 4.860 -12.826 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -20.368 5.745 -14.338 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -19.986 2.815 -14.670 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -21.521 3.250 -13.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -21.670 3.203 -16.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -21.923 4.783 -15.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -20.436 4.362 -16.480 1.00 0.00 H new ATOM 1685 N VAL A 107 -15.563 3.944 -13.730 1.00 0.00 N ATOM 1686 CA VAL A 107 -14.747 2.775 -13.450 1.00 0.00 C ATOM 1687 C VAL A 107 -15.554 1.511 -13.755 1.00 0.00 C ATOM 1688 O VAL A 107 -16.532 1.214 -13.070 1.00 0.00 O ATOM 1689 CB VAL A 107 -14.238 2.826 -12.008 1.00 0.00 C ATOM 1690 CG1 VAL A 107 -13.310 1.646 -11.713 1.00 0.00 C ATOM 1691 CG2 VAL A 107 -13.540 4.157 -11.720 1.00 0.00 C ATOM 0 H VAL A 107 -16.091 4.297 -12.932 1.00 0.00 H new ATOM 0 HA VAL A 107 -13.866 2.761 -14.091 1.00 0.00 H new ATOM 0 HB VAL A 107 -15.100 2.749 -11.345 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -12.962 1.706 -10.682 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -13.852 0.712 -11.860 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -12.454 1.679 -12.387 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -13.188 4.167 -10.689 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -12.692 4.277 -12.394 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -14.242 4.977 -11.872 1.00 0.00 H new ATOM 1701 N GLU A 108 -15.113 0.800 -14.782 1.00 0.00 N ATOM 1702 CA GLU A 108 -15.782 -0.426 -15.186 1.00 0.00 C ATOM 1703 C GLU A 108 -15.316 -1.595 -14.316 1.00 0.00 C ATOM 1704 O GLU A 108 -14.888 -2.626 -14.834 1.00 0.00 O ATOM 1705 CB GLU A 108 -15.545 -0.717 -16.669 1.00 0.00 C ATOM 1706 CG GLU A 108 -14.090 -1.116 -16.924 1.00 0.00 C ATOM 1707 CD GLU A 108 -13.619 -0.626 -18.294 1.00 0.00 C ATOM 1708 OE1 GLU A 108 -13.574 0.610 -18.470 1.00 0.00 O ATOM 1709 OE2 GLU A 108 -13.314 -1.499 -19.135 1.00 0.00 O ATOM 0 H GLU A 108 -14.301 1.049 -15.347 1.00 0.00 H new ATOM 0 HA GLU A 108 -16.855 -0.296 -15.043 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -16.208 -1.518 -16.997 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -15.793 0.164 -17.260 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.453 -0.697 -16.145 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -13.991 -2.200 -16.868 1.00 0.00 H new ATOM 1716 N LYS A 109 -15.415 -1.396 -13.010 1.00 0.00 N ATOM 1717 CA LYS A 109 -15.009 -2.422 -12.064 1.00 0.00 C ATOM 1718 C LYS A 109 -15.551 -2.073 -10.676 1.00 0.00 C ATOM 1719 O LYS A 109 -16.523 -2.670 -10.218 1.00 0.00 O ATOM 1720 CB LYS A 109 -13.492 -2.614 -12.101 1.00 0.00 C ATOM 1721 CG LYS A 109 -13.100 -3.987 -11.550 1.00 0.00 C ATOM 1722 CD LYS A 109 -12.880 -4.990 -12.684 1.00 0.00 C ATOM 1723 CE LYS A 109 -12.911 -6.427 -12.159 1.00 0.00 C ATOM 1724 NZ LYS A 109 -11.537 -6.966 -12.043 1.00 0.00 N ATOM 0 H LYS A 109 -15.770 -0.540 -12.584 1.00 0.00 H new ATOM 0 HA LYS A 109 -15.436 -3.386 -12.340 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.134 -2.513 -13.126 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.008 -1.832 -11.516 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -12.190 -3.898 -10.956 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -13.881 -4.352 -10.883 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -13.651 -4.860 -13.444 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -11.922 -4.796 -13.165 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.402 -6.455 -11.186 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -13.498 -7.053 -12.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -11.576 -7.942 -11.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -11.081 -6.958 -12.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -10.988 -6.378 -11.384 1.00 0.00 H new ATOM 1738 N ALA A 110 -14.898 -1.107 -10.047 1.00 0.00 N ATOM 1739 CA ALA A 110 -15.303 -0.671 -8.721 1.00 0.00 C ATOM 1740 C ALA A 110 -16.822 -0.497 -8.688 1.00 0.00 C ATOM 1741 O ALA A 110 -17.505 -1.127 -7.883 1.00 0.00 O ATOM 1742 CB ALA A 110 -14.560 0.617 -8.358 1.00 0.00 C ATOM 0 H ALA A 110 -14.092 -0.614 -10.431 1.00 0.00 H new ATOM 0 HA ALA A 110 -15.041 -1.420 -7.974 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -14.864 0.944 -7.364 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -13.486 0.432 -8.367 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -14.801 1.393 -9.085 1.00 0.00 H new ATOM 1748 N GLY A 111 -17.307 0.362 -9.572 1.00 0.00 N ATOM 1749 CA GLY A 111 -18.733 0.628 -9.654 1.00 0.00 C ATOM 1750 C GLY A 111 -19.049 2.063 -9.229 1.00 0.00 C ATOM 1751 O GLY A 111 -19.902 2.286 -8.370 1.00 0.00 O ATOM 0 H GLY A 111 -16.737 0.883 -10.238 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -19.079 0.463 -10.674 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -19.274 -0.071 -9.017 1.00 0.00 H new ATOM 1755 N ALA A 112 -18.346 2.999 -9.849 1.00 0.00 N ATOM 1756 CA ALA A 112 -18.541 4.406 -9.546 1.00 0.00 C ATOM 1757 C ALA A 112 -17.526 5.238 -10.332 1.00 0.00 C ATOM 1758 O ALA A 112 -16.458 4.744 -10.692 1.00 0.00 O ATOM 1759 CB ALA A 112 -18.427 4.623 -8.036 1.00 0.00 C ATOM 0 H ALA A 112 -17.640 2.810 -10.560 1.00 0.00 H new ATOM 0 HA ALA A 112 -19.537 4.729 -9.848 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -18.573 5.679 -7.808 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -19.188 4.033 -7.525 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -17.439 4.312 -7.697 1.00 0.00 H new ATOM 1765 N GLU A 113 -17.895 6.487 -10.576 1.00 0.00 N ATOM 1766 CA GLU A 113 -17.030 7.392 -11.314 1.00 0.00 C ATOM 1767 C GLU A 113 -15.574 7.205 -10.882 1.00 0.00 C ATOM 1768 O GLU A 113 -15.305 6.667 -9.810 1.00 0.00 O ATOM 1769 CB GLU A 113 -17.474 8.845 -11.130 1.00 0.00 C ATOM 1770 CG GLU A 113 -18.605 9.200 -12.098 1.00 0.00 C ATOM 1771 CD GLU A 113 -18.273 10.468 -12.888 1.00 0.00 C ATOM 1772 OE1 GLU A 113 -17.074 10.651 -13.190 1.00 0.00 O ATOM 1773 OE2 GLU A 113 -19.227 11.225 -13.172 1.00 0.00 O ATOM 0 H GLU A 113 -18.781 6.894 -10.276 1.00 0.00 H new ATOM 0 HA GLU A 113 -17.107 7.154 -12.375 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -17.807 9.000 -10.104 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -16.627 9.511 -11.295 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -18.773 8.372 -12.786 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -19.532 9.345 -11.543 1.00 0.00 H new ATOM 1780 N SER A 114 -14.673 7.660 -11.741 1.00 0.00 N ATOM 1781 CA SER A 114 -13.251 7.549 -11.462 1.00 0.00 C ATOM 1782 C SER A 114 -12.862 8.512 -10.339 1.00 0.00 C ATOM 1783 O SER A 114 -12.048 8.174 -9.481 1.00 0.00 O ATOM 1784 CB SER A 114 -12.421 7.831 -12.715 1.00 0.00 C ATOM 1785 OG SER A 114 -11.089 7.336 -12.596 1.00 0.00 O ATOM 0 H SER A 114 -14.900 8.106 -12.630 1.00 0.00 H new ATOM 0 HA SER A 114 -13.043 6.527 -11.144 1.00 0.00 H new ATOM 0 HB2 SER A 114 -12.902 7.373 -13.579 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.394 8.905 -12.898 1.00 0.00 H new ATOM 0 HG SER A 114 -10.592 7.535 -13.417 1.00 0.00 H new ATOM 1791 N ALA A 115 -13.461 9.693 -10.381 1.00 0.00 N ATOM 1792 CA ALA A 115 -13.186 10.707 -9.378 1.00 0.00 C ATOM 1793 C ALA A 115 -13.644 10.201 -8.008 1.00 0.00 C ATOM 1794 O ALA A 115 -12.943 10.375 -7.013 1.00 0.00 O ATOM 1795 CB ALA A 115 -13.872 12.017 -9.775 1.00 0.00 C ATOM 0 H ALA A 115 -14.136 9.970 -11.094 1.00 0.00 H new ATOM 0 HA ALA A 115 -12.116 10.905 -9.315 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -13.666 12.778 -9.023 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -13.491 12.349 -10.741 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -14.948 11.858 -9.845 1.00 0.00 H new ATOM 1801 N VAL A 116 -14.817 9.585 -8.003 1.00 0.00 N ATOM 1802 CA VAL A 116 -15.377 9.053 -6.772 1.00 0.00 C ATOM 1803 C VAL A 116 -14.423 8.004 -6.195 1.00 0.00 C ATOM 1804 O VAL A 116 -14.038 8.084 -5.030 1.00 0.00 O ATOM 1805 CB VAL A 116 -16.782 8.506 -7.029 1.00 0.00 C ATOM 1806 CG1 VAL A 116 -17.259 7.646 -5.857 1.00 0.00 C ATOM 1807 CG2 VAL A 116 -17.768 9.640 -7.314 1.00 0.00 C ATOM 0 H VAL A 116 -15.395 9.442 -8.831 1.00 0.00 H new ATOM 0 HA VAL A 116 -15.482 9.842 -6.028 1.00 0.00 H new ATOM 0 HB VAL A 116 -16.737 7.871 -7.914 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -18.261 7.270 -6.066 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -16.577 6.807 -5.720 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -17.280 8.248 -4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -18.759 9.224 -7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -17.806 10.313 -6.457 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -17.442 10.193 -8.195 1.00 0.00 H new ATOM 1817 N VAL A 117 -14.070 7.045 -7.038 1.00 0.00 N ATOM 1818 CA VAL A 117 -13.169 5.982 -6.627 1.00 0.00 C ATOM 1819 C VAL A 117 -11.808 6.582 -6.269 1.00 0.00 C ATOM 1820 O VAL A 117 -11.236 6.257 -5.230 1.00 0.00 O ATOM 1821 CB VAL A 117 -13.084 4.916 -7.721 1.00 0.00 C ATOM 1822 CG1 VAL A 117 -12.040 3.853 -7.371 1.00 0.00 C ATOM 1823 CG2 VAL A 117 -14.451 4.278 -7.974 1.00 0.00 C ATOM 0 H VAL A 117 -14.392 6.982 -8.004 1.00 0.00 H new ATOM 0 HA VAL A 117 -13.548 5.483 -5.735 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.768 5.407 -8.642 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -12.000 3.107 -8.165 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.063 4.324 -7.265 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -12.313 3.370 -6.433 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -14.362 3.524 -8.756 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -14.809 3.809 -7.057 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -15.158 5.045 -8.289 1.00 0.00 H new ATOM 1833 N HIS A 118 -11.329 7.448 -7.150 1.00 0.00 N ATOM 1834 CA HIS A 118 -10.046 8.097 -6.940 1.00 0.00 C ATOM 1835 C HIS A 118 -9.975 8.644 -5.513 1.00 0.00 C ATOM 1836 O HIS A 118 -9.031 8.355 -4.780 1.00 0.00 O ATOM 1837 CB HIS A 118 -9.801 9.172 -8.000 1.00 0.00 C ATOM 1838 CG HIS A 118 -8.463 9.860 -7.879 1.00 0.00 C ATOM 1839 ND1 HIS A 118 -8.202 10.830 -6.927 1.00 0.00 N ATOM 1840 CD2 HIS A 118 -7.314 9.709 -8.599 1.00 0.00 C ATOM 1841 CE1 HIS A 118 -6.950 11.237 -7.077 1.00 0.00 C ATOM 1842 NE2 HIS A 118 -6.402 10.541 -8.114 1.00 0.00 N ATOM 0 H HIS A 118 -11.806 7.715 -8.011 1.00 0.00 H new ATOM 0 HA HIS A 118 -9.243 7.368 -7.053 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -9.876 8.717 -8.988 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -10.590 9.921 -7.933 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -7.171 9.027 -9.424 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -6.451 11.988 -6.482 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -5.448 10.643 -8.460 1.00 0.00 H new ATOM 1850 N GLU A 119 -10.986 9.425 -5.162 1.00 0.00 N ATOM 1851 CA GLU A 119 -11.050 10.015 -3.836 1.00 0.00 C ATOM 1852 C GLU A 119 -11.231 8.925 -2.778 1.00 0.00 C ATOM 1853 O GLU A 119 -10.495 8.882 -1.794 1.00 0.00 O ATOM 1854 CB GLU A 119 -12.172 11.053 -3.752 1.00 0.00 C ATOM 1855 CG GLU A 119 -11.786 12.338 -4.487 1.00 0.00 C ATOM 1856 CD GLU A 119 -12.851 13.420 -4.296 1.00 0.00 C ATOM 1857 OE1 GLU A 119 -14.043 13.075 -4.442 1.00 0.00 O ATOM 1858 OE2 GLU A 119 -12.448 14.568 -4.007 1.00 0.00 O ATOM 0 H GLU A 119 -11.767 9.663 -5.773 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.109 10.529 -3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -13.085 10.643 -4.184 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -12.387 11.278 -2.707 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -10.826 12.698 -4.117 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.660 12.130 -5.550 1.00 0.00 H new ATOM 1865 N ARG A 120 -12.216 8.071 -3.016 1.00 0.00 N ATOM 1866 CA ARG A 120 -12.503 6.984 -2.096 1.00 0.00 C ATOM 1867 C ARG A 120 -11.232 6.182 -1.808 1.00 0.00 C ATOM 1868 O ARG A 120 -10.752 6.158 -0.676 1.00 0.00 O ATOM 1869 CB ARG A 120 -13.570 6.047 -2.666 1.00 0.00 C ATOM 1870 CG ARG A 120 -14.857 6.117 -1.842 1.00 0.00 C ATOM 1871 CD ARG A 120 -15.393 4.716 -1.541 1.00 0.00 C ATOM 1872 NE ARG A 120 -14.544 4.059 -0.522 1.00 0.00 N ATOM 1873 CZ ARG A 120 -14.859 2.909 0.090 1.00 0.00 C ATOM 1874 NH1 ARG A 120 -16.005 2.282 -0.211 1.00 0.00 N ATOM 1875 NH2 ARG A 120 -14.029 2.385 1.002 1.00 0.00 N ATOM 0 H ARG A 120 -12.825 8.110 -3.833 1.00 0.00 H new ATOM 0 HA ARG A 120 -12.877 7.423 -1.171 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -13.781 6.317 -3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -13.194 5.024 -2.674 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -14.667 6.646 -0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -15.610 6.689 -2.384 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -16.421 4.780 -1.184 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -15.409 4.120 -2.453 1.00 0.00 H new ATOM 0 HE ARG A 120 -13.664 4.510 -0.270 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -16.637 2.680 -0.906 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -16.245 1.407 0.255 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -13.157 2.861 1.231 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -14.270 1.510 1.467 1.00 0.00 H new ATOM 1889 N MET A 121 -10.722 5.547 -2.853 1.00 0.00 N ATOM 1890 CA MET A 121 -9.516 4.746 -2.727 1.00 0.00 C ATOM 1891 C MET A 121 -8.375 5.566 -2.121 1.00 0.00 C ATOM 1892 O MET A 121 -7.722 5.125 -1.177 1.00 0.00 O ATOM 1893 CB MET A 121 -9.099 4.230 -4.105 1.00 0.00 C ATOM 1894 CG MET A 121 -9.384 2.733 -4.240 1.00 0.00 C ATOM 1895 SD MET A 121 -8.270 1.804 -3.200 1.00 0.00 S ATOM 1896 CE MET A 121 -8.051 0.345 -4.205 1.00 0.00 C ATOM 0 H MET A 121 -11.122 5.571 -3.791 1.00 0.00 H new ATOM 0 HA MET A 121 -9.727 3.907 -2.064 1.00 0.00 H new ATOM 0 HB2 MET A 121 -9.636 4.777 -4.880 1.00 0.00 H new ATOM 0 HB3 MET A 121 -8.037 4.417 -4.261 1.00 0.00 H new ATOM 0 HG2 MET A 121 -10.416 2.524 -3.959 1.00 0.00 H new ATOM 0 HG3 MET A 121 -9.268 2.424 -5.279 1.00 0.00 H new ATOM 0 HE1 MET A 121 -7.377 -0.347 -3.700 1.00 0.00 H new ATOM 0 HE2 MET A 121 -9.016 -0.137 -4.362 1.00 0.00 H new ATOM 0 HE3 MET A 121 -7.626 0.627 -5.168 1.00 0.00 H new ATOM 1906 N ASP A 122 -8.169 6.745 -2.690 1.00 0.00 N ATOM 1907 CA ASP A 122 -7.118 7.631 -2.219 1.00 0.00 C ATOM 1908 C ASP A 122 -7.260 7.824 -0.708 1.00 0.00 C ATOM 1909 O ASP A 122 -6.315 7.589 0.043 1.00 0.00 O ATOM 1910 CB ASP A 122 -7.218 9.006 -2.882 1.00 0.00 C ATOM 1911 CG ASP A 122 -6.284 10.071 -2.305 1.00 0.00 C ATOM 1912 OD1 ASP A 122 -6.306 10.234 -1.066 1.00 0.00 O ATOM 1913 OD2 ASP A 122 -5.568 10.698 -3.116 1.00 0.00 O ATOM 0 H ASP A 122 -8.713 7.107 -3.473 1.00 0.00 H new ATOM 0 HA ASP A 122 -6.158 7.179 -2.470 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.006 8.896 -3.946 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -8.245 9.360 -2.796 1.00 0.00 H new ATOM 1918 N ARG A 123 -8.449 8.250 -0.307 1.00 0.00 N ATOM 1919 CA ARG A 123 -8.727 8.477 1.101 1.00 0.00 C ATOM 1920 C ARG A 123 -8.265 7.279 1.934 1.00 0.00 C ATOM 1921 O ARG A 123 -7.403 7.417 2.800 1.00 0.00 O ATOM 1922 CB ARG A 123 -10.221 8.707 1.338 1.00 0.00 C ATOM 1923 CG ARG A 123 -10.616 10.143 0.989 1.00 0.00 C ATOM 1924 CD ARG A 123 -11.680 10.669 1.955 1.00 0.00 C ATOM 1925 NE ARG A 123 -12.621 11.559 1.237 1.00 0.00 N ATOM 1926 CZ ARG A 123 -13.732 12.073 1.782 1.00 0.00 C ATOM 1927 NH1 ARG A 123 -14.048 11.790 3.053 1.00 0.00 N ATOM 1928 NH2 ARG A 123 -14.526 12.871 1.055 1.00 0.00 N ATOM 0 H ARG A 123 -9.231 8.444 -0.933 1.00 0.00 H new ATOM 0 HA ARG A 123 -8.180 9.369 1.406 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -10.801 8.009 0.733 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -10.463 8.502 2.381 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -9.736 10.785 1.027 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -10.996 10.182 -0.032 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -12.223 9.835 2.400 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -11.205 11.212 2.772 1.00 0.00 H new ATOM 0 HE ARG A 123 -12.410 11.795 0.267 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -13.443 11.183 3.606 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -14.894 12.181 3.468 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -14.284 13.087 0.088 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -15.372 13.263 1.469 1.00 0.00 H new ATOM 1942 N GLY A 124 -8.858 6.131 1.641 1.00 0.00 N ATOM 1943 CA GLY A 124 -8.518 4.911 2.352 1.00 0.00 C ATOM 1944 C GLY A 124 -7.033 4.578 2.191 1.00 0.00 C ATOM 1945 O GLY A 124 -6.400 4.080 3.120 1.00 0.00 O ATOM 0 H GLY A 124 -9.572 6.020 0.921 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.756 5.024 3.410 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.122 4.086 1.975 1.00 0.00 H new ATOM 1949 N TRP A 125 -6.520 4.867 1.003 1.00 0.00 N ATOM 1950 CA TRP A 125 -5.122 4.605 0.708 1.00 0.00 C ATOM 1951 C TRP A 125 -4.274 5.338 1.749 1.00 0.00 C ATOM 1952 O TRP A 125 -3.394 4.743 2.369 1.00 0.00 O ATOM 1953 CB TRP A 125 -4.781 5.003 -0.729 1.00 0.00 C ATOM 1954 CG TRP A 125 -4.608 3.816 -1.679 1.00 0.00 C ATOM 1955 CD1 TRP A 125 -5.259 3.574 -2.825 1.00 0.00 C ATOM 1956 CD2 TRP A 125 -3.691 2.712 -1.518 1.00 0.00 C ATOM 1957 NE1 TRP A 125 -4.832 2.399 -3.411 1.00 0.00 N ATOM 1958 CE2 TRP A 125 -3.848 1.859 -2.591 1.00 0.00 C ATOM 1959 CE3 TRP A 125 -2.761 2.444 -0.498 1.00 0.00 C ATOM 1960 CZ2 TRP A 125 -3.109 0.681 -2.748 1.00 0.00 C ATOM 1961 CZ3 TRP A 125 -2.029 1.263 -0.670 1.00 0.00 C ATOM 1962 CH2 TRP A 125 -2.176 0.393 -1.745 1.00 0.00 C ATOM 0 H TRP A 125 -7.048 5.280 0.234 1.00 0.00 H new ATOM 0 HA TRP A 125 -4.907 3.538 0.773 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -5.570 5.650 -1.113 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -3.862 5.589 -0.725 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -6.022 4.217 -3.238 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -5.175 2.001 -4.285 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -2.622 3.097 0.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -3.251 0.029 -3.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -1.299 1.010 0.085 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -1.573 -0.501 -1.806 1.00 0.00 H new ATOM 1973 N HIS A 126 -4.568 6.620 1.908 1.00 0.00 N ATOM 1974 CA HIS A 126 -3.843 7.441 2.863 1.00 0.00 C ATOM 1975 C HIS A 126 -4.132 6.953 4.284 1.00 0.00 C ATOM 1976 O HIS A 126 -3.211 6.739 5.070 1.00 0.00 O ATOM 1977 CB HIS A 126 -4.172 8.922 2.666 1.00 0.00 C ATOM 1978 CG HIS A 126 -3.068 9.859 3.095 1.00 0.00 C ATOM 1979 ND1 HIS A 126 -1.727 9.537 2.987 1.00 0.00 N ATOM 1980 CD2 HIS A 126 -3.121 11.112 3.633 1.00 0.00 C ATOM 1981 CE1 HIS A 126 -1.013 10.556 3.443 1.00 0.00 C ATOM 1982 NE2 HIS A 126 -1.879 11.531 3.843 1.00 0.00 N ATOM 0 H HIS A 126 -5.298 7.110 1.392 1.00 0.00 H new ATOM 0 HA HIS A 126 -2.771 7.341 2.693 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.395 9.097 1.613 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -5.076 9.161 3.227 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -4.021 11.668 3.851 1.00 0.00 H new ATOM 0 HE1 HIS A 126 0.065 10.606 3.490 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -1.616 12.434 4.238 1.00 0.00 H new ATOM 1990 N ASP A 127 -5.416 6.793 4.569 1.00 0.00 N ATOM 1991 CA ASP A 127 -5.839 6.334 5.882 1.00 0.00 C ATOM 1992 C ASP A 127 -5.120 5.025 6.216 1.00 0.00 C ATOM 1993 O ASP A 127 -4.667 4.832 7.343 1.00 0.00 O ATOM 1994 CB ASP A 127 -7.345 6.067 5.913 1.00 0.00 C ATOM 1995 CG ASP A 127 -8.217 7.227 5.428 1.00 0.00 C ATOM 1996 OD1 ASP A 127 -8.039 8.338 5.973 1.00 0.00 O ATOM 1997 OD2 ASP A 127 -9.043 6.976 4.523 1.00 0.00 O ATOM 0 H ASP A 127 -6.177 6.973 3.914 1.00 0.00 H new ATOM 0 HA ASP A 127 -5.595 7.112 6.606 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -7.556 5.192 5.299 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -7.634 5.817 6.934 1.00 0.00 H new ATOM 2002 N LEU A 128 -5.038 4.160 5.216 1.00 0.00 N ATOM 2003 CA LEU A 128 -4.382 2.875 5.389 1.00 0.00 C ATOM 2004 C LEU A 128 -2.924 3.102 5.791 1.00 0.00 C ATOM 2005 O LEU A 128 -2.459 2.556 6.790 1.00 0.00 O ATOM 2006 CB LEU A 128 -4.548 2.016 4.134 1.00 0.00 C ATOM 2007 CG LEU A 128 -3.815 0.672 4.141 1.00 0.00 C ATOM 2008 CD1 LEU A 128 -4.453 -0.296 5.139 1.00 0.00 C ATOM 2009 CD2 LEU A 128 -3.745 0.079 2.732 1.00 0.00 C ATOM 0 H LEU A 128 -5.415 4.324 4.283 1.00 0.00 H new ATOM 0 HA LEU A 128 -4.851 2.313 6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -5.611 1.827 3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -4.203 2.592 3.275 1.00 0.00 H new ATOM 0 HG LEU A 128 -2.790 0.844 4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.913 -1.243 5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -4.407 0.132 6.141 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -5.494 -0.468 4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -3.219 -0.875 2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -4.755 -0.076 2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -3.211 0.765 2.075 1.00 0.00 H new ATOM 2021 N VAL A 129 -2.242 3.910 4.992 1.00 0.00 N ATOM 2022 CA VAL A 129 -0.845 4.216 5.252 1.00 0.00 C ATOM 2023 C VAL A 129 -0.756 5.475 6.117 1.00 0.00 C ATOM 2024 O VAL A 129 0.109 6.322 5.900 1.00 0.00 O ATOM 2025 CB VAL A 129 -0.083 4.343 3.932 1.00 0.00 C ATOM 2026 CG1 VAL A 129 -0.604 5.522 3.109 1.00 0.00 C ATOM 2027 CG2 VAL A 129 1.422 4.468 4.178 1.00 0.00 C ATOM 0 H VAL A 129 -2.631 4.362 4.164 1.00 0.00 H new ATOM 0 HA VAL A 129 -0.373 3.405 5.808 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.254 3.433 3.357 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -0.045 5.589 2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.661 5.373 2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -0.478 6.445 3.675 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.941 4.557 3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 129 1.620 5.353 4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.779 3.583 4.704 1.00 0.00 H new ATOM 2037 N ASN A 130 -1.663 5.559 7.080 1.00 0.00 N ATOM 2038 CA ASN A 130 -1.698 6.700 7.978 1.00 0.00 C ATOM 2039 C ASN A 130 -1.537 6.214 9.420 1.00 0.00 C ATOM 2040 O ASN A 130 -0.520 6.481 10.059 1.00 0.00 O ATOM 2041 CB ASN A 130 -3.032 7.441 7.876 1.00 0.00 C ATOM 2042 CG ASN A 130 -2.834 8.855 7.324 1.00 0.00 C ATOM 2043 OD1 ASN A 130 -3.162 9.847 7.954 1.00 0.00 O ATOM 2044 ND2 ASN A 130 -2.279 8.891 6.116 1.00 0.00 N ATOM 0 H ASN A 130 -2.379 4.855 7.257 1.00 0.00 H new ATOM 0 HA ASN A 130 -0.889 7.374 7.698 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -3.712 6.886 7.229 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -3.499 7.493 8.859 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -2.104 9.787 5.662 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -2.028 8.022 5.644 1.00 0.00 H new ATOM 2051 N GLU A 131 -2.555 5.508 9.890 1.00 0.00 N ATOM 2052 CA GLU A 131 -2.539 4.982 11.244 1.00 0.00 C ATOM 2053 C GLU A 131 -2.650 3.457 11.223 1.00 0.00 C ATOM 2054 O GLU A 131 -2.068 2.776 12.066 1.00 0.00 O ATOM 2055 CB GLU A 131 -3.656 5.602 12.086 1.00 0.00 C ATOM 2056 CG GLU A 131 -5.020 5.391 11.428 1.00 0.00 C ATOM 2057 CD GLU A 131 -5.955 4.598 12.344 1.00 0.00 C ATOM 2058 OE1 GLU A 131 -5.844 3.353 12.326 1.00 0.00 O ATOM 2059 OE2 GLU A 131 -6.758 5.254 13.041 1.00 0.00 O ATOM 0 H GLU A 131 -3.396 5.288 9.357 1.00 0.00 H new ATOM 0 HA GLU A 131 -1.589 5.251 11.706 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -3.656 5.157 13.081 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -3.471 6.669 12.213 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -5.468 6.357 11.194 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -4.894 4.861 10.484 1.00 0.00 H new ATOM 2066 N ARG A 132 -3.403 2.964 10.249 1.00 0.00 N ATOM 2067 CA ARG A 132 -3.598 1.531 10.107 1.00 0.00 C ATOM 2068 C ARG A 132 -2.250 0.825 9.951 1.00 0.00 C ATOM 2069 O ARG A 132 -2.056 -0.271 10.475 1.00 0.00 O ATOM 2070 CB ARG A 132 -4.476 1.213 8.895 1.00 0.00 C ATOM 2071 CG ARG A 132 -5.804 1.971 8.966 1.00 0.00 C ATOM 2072 CD ARG A 132 -6.929 1.059 9.459 1.00 0.00 C ATOM 2073 NE ARG A 132 -6.932 1.015 10.938 1.00 0.00 N ATOM 2074 CZ ARG A 132 -7.563 0.078 11.661 1.00 0.00 C ATOM 2075 NH1 ARG A 132 -8.244 -0.897 11.044 1.00 0.00 N ATOM 2076 NH2 ARG A 132 -7.511 0.117 12.999 1.00 0.00 N ATOM 0 H ARG A 132 -3.885 3.531 9.552 1.00 0.00 H new ATOM 0 HA ARG A 132 -4.097 1.173 11.007 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -3.949 1.481 7.979 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -4.667 0.141 8.851 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -5.704 2.826 9.635 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -6.055 2.365 7.981 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -7.890 1.424 9.096 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -6.797 0.054 9.057 1.00 0.00 H new ATOM 0 HE ARG A 132 -6.422 1.743 11.439 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -8.282 -0.926 10.025 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -8.724 -1.610 11.593 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -6.992 0.859 13.468 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -7.991 -0.595 13.549 1.00 0.00 H new ATOM 2090 N LEU A 133 -1.354 1.481 9.229 1.00 0.00 N ATOM 2091 CA LEU A 133 -0.030 0.929 8.998 1.00 0.00 C ATOM 2092 C LEU A 133 0.881 1.290 10.173 1.00 0.00 C ATOM 2093 O LEU A 133 1.616 0.442 10.677 1.00 0.00 O ATOM 2094 CB LEU A 133 0.510 1.382 7.640 1.00 0.00 C ATOM 2095 CG LEU A 133 2.009 1.178 7.412 1.00 0.00 C ATOM 2096 CD1 LEU A 133 2.398 -0.289 7.605 1.00 0.00 C ATOM 2097 CD2 LEU A 133 2.432 1.707 6.040 1.00 0.00 C ATOM 0 H LEU A 133 -1.519 2.390 8.796 1.00 0.00 H new ATOM 0 HA LEU A 133 -0.074 -0.159 8.951 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -0.032 0.848 6.859 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.285 2.441 7.517 1.00 0.00 H new ATOM 0 HG LEU A 133 2.550 1.756 8.161 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.469 -0.407 7.437 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.154 -0.600 8.621 1.00 0.00 H new ATOM 0 HD13 LEU A 133 1.849 -0.907 6.895 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.502 1.550 5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 133 1.885 1.176 5.261 1.00 0.00 H new ATOM 0 HD23 LEU A 133 2.211 2.772 5.977 1.00 0.00 H new ATOM 2109 N ARG A 134 0.802 2.550 10.576 1.00 0.00 N ATOM 2110 CA ARG A 134 1.610 3.034 11.682 1.00 0.00 C ATOM 2111 C ARG A 134 1.415 2.143 12.911 1.00 0.00 C ATOM 2112 O ARG A 134 2.356 1.910 13.669 1.00 0.00 O ATOM 2113 CB ARG A 134 1.245 4.475 12.043 1.00 0.00 C ATOM 2114 CG ARG A 134 2.214 5.043 13.081 1.00 0.00 C ATOM 2115 CD ARG A 134 1.465 5.838 14.153 1.00 0.00 C ATOM 2116 NE ARG A 134 1.046 7.150 13.610 1.00 0.00 N ATOM 2117 CZ ARG A 134 0.467 8.115 14.338 1.00 0.00 C ATOM 2118 NH1 ARG A 134 0.235 7.921 15.643 1.00 0.00 N ATOM 2119 NH2 ARG A 134 0.121 9.273 13.761 1.00 0.00 N ATOM 0 H ARG A 134 0.191 3.250 10.156 1.00 0.00 H new ATOM 0 HA ARG A 134 2.653 3.004 11.368 1.00 0.00 H new ATOM 0 HB2 ARG A 134 1.264 5.094 11.146 1.00 0.00 H new ATOM 0 HB3 ARG A 134 0.228 4.509 12.433 1.00 0.00 H new ATOM 0 HG2 ARG A 134 2.770 4.230 13.548 1.00 0.00 H new ATOM 0 HG3 ARG A 134 2.943 5.687 12.589 1.00 0.00 H new ATOM 0 HD2 ARG A 134 0.592 5.279 14.489 1.00 0.00 H new ATOM 0 HD3 ARG A 134 2.105 5.983 15.023 1.00 0.00 H new ATOM 0 HE ARG A 134 1.208 7.331 12.619 1.00 0.00 H new ATOM 0 HH11 ARG A 134 0.499 7.039 16.082 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -0.206 8.655 16.197 1.00 0.00 H new ATOM 0 HH21 ARG A 134 0.298 9.421 12.767 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -0.320 10.007 14.315 1.00 0.00 H new ATOM 2133 N GLN A 135 0.188 1.670 13.071 1.00 0.00 N ATOM 2134 CA GLN A 135 -0.142 0.810 14.194 1.00 0.00 C ATOM 2135 C GLN A 135 0.671 -0.484 14.130 1.00 0.00 C ATOM 2136 O GLN A 135 0.955 -1.095 15.159 1.00 0.00 O ATOM 2137 CB GLN A 135 -1.642 0.513 14.235 1.00 0.00 C ATOM 2138 CG GLN A 135 -2.254 0.960 15.565 1.00 0.00 C ATOM 2139 CD GLN A 135 -2.685 -0.246 16.402 1.00 0.00 C ATOM 2140 OE1 GLN A 135 -1.899 -1.121 16.728 1.00 0.00 O ATOM 2141 NE2 GLN A 135 -3.973 -0.243 16.732 1.00 0.00 N ATOM 0 H GLN A 135 -0.590 1.866 12.441 1.00 0.00 H new ATOM 0 HA GLN A 135 0.117 1.333 15.114 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -2.140 1.024 13.411 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -1.809 -0.555 14.095 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -1.529 1.554 16.122 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -3.114 1.602 15.376 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -4.576 0.521 16.426 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -4.358 -1.004 17.291 1.00 0.00 H new ATOM 2150 N ILE A 136 1.024 -0.864 12.910 1.00 0.00 N ATOM 2151 CA ILE A 136 1.799 -2.074 12.698 1.00 0.00 C ATOM 2152 C ILE A 136 3.167 -1.922 13.366 1.00 0.00 C ATOM 2153 O ILE A 136 3.820 -2.915 13.685 1.00 0.00 O ATOM 2154 CB ILE A 136 1.876 -2.406 11.206 1.00 0.00 C ATOM 2155 CG1 ILE A 136 0.480 -2.462 10.584 1.00 0.00 C ATOM 2156 CG2 ILE A 136 2.661 -3.698 10.972 1.00 0.00 C ATOM 2157 CD1 ILE A 136 -0.359 -3.574 11.218 1.00 0.00 C ATOM 0 H ILE A 136 0.787 -0.355 12.059 1.00 0.00 H new ATOM 0 HA ILE A 136 1.309 -2.928 13.166 1.00 0.00 H new ATOM 0 HB ILE A 136 2.419 -1.605 10.705 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -0.020 -1.503 10.718 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.563 -2.631 9.510 1.00 0.00 H new ATOM 0 HG21 ILE A 136 2.701 -3.911 9.904 1.00 0.00 H new ATOM 0 HG22 ILE A 136 3.674 -3.583 11.357 1.00 0.00 H new ATOM 0 HG23 ILE A 136 2.168 -4.522 11.488 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -1.347 -3.592 10.758 1.00 0.00 H new ATOM 0 HD12 ILE A 136 0.132 -4.535 11.061 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -0.460 -3.389 12.287 1.00 0.00 H new ATOM 2169 N VAL A 137 3.560 -0.672 13.558 1.00 0.00 N ATOM 2170 CA VAL A 137 4.839 -0.377 14.182 1.00 0.00 C ATOM 2171 C VAL A 137 4.598 0.229 15.567 1.00 0.00 C ATOM 2172 O VAL A 137 5.404 0.044 16.478 1.00 0.00 O ATOM 2173 CB VAL A 137 5.671 0.527 13.271 1.00 0.00 C ATOM 2174 CG1 VAL A 137 6.048 -0.197 11.977 1.00 0.00 C ATOM 2175 CG2 VAL A 137 4.932 1.834 12.973 1.00 0.00 C ATOM 0 H VAL A 137 3.016 0.149 13.293 1.00 0.00 H new ATOM 0 HA VAL A 137 5.415 -1.292 14.322 1.00 0.00 H new ATOM 0 HB VAL A 137 6.593 0.776 13.797 1.00 0.00 H new ATOM 0 HG11 VAL A 137 6.639 0.468 11.347 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.632 -1.086 12.214 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.142 -0.489 11.446 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.545 2.459 12.323 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.987 1.613 12.477 1.00 0.00 H new ATOM 0 HG23 VAL A 137 4.737 2.363 13.906 1.00 0.00 H new ATOM 2185 N GLU A 138 3.486 0.940 15.681 1.00 0.00 N ATOM 2186 CA GLU A 138 3.129 1.573 16.939 1.00 0.00 C ATOM 2187 C GLU A 138 2.256 0.637 17.777 1.00 0.00 C ATOM 2188 O GLU A 138 1.574 1.078 18.700 1.00 0.00 O ATOM 2189 CB GLU A 138 2.425 2.910 16.699 1.00 0.00 C ATOM 2190 CG GLU A 138 3.379 4.083 16.932 1.00 0.00 C ATOM 2191 CD GLU A 138 3.018 4.837 18.214 1.00 0.00 C ATOM 2192 OE1 GLU A 138 2.142 5.723 18.122 1.00 0.00 O ATOM 2193 OE2 GLU A 138 3.627 4.510 19.255 1.00 0.00 O ATOM 0 H GLU A 138 2.821 1.092 14.923 1.00 0.00 H new ATOM 0 HA GLU A 138 4.045 1.776 17.493 1.00 0.00 H new ATOM 0 HB2 GLU A 138 2.042 2.945 15.679 1.00 0.00 H new ATOM 0 HB3 GLU A 138 1.566 2.997 17.365 1.00 0.00 H new ATOM 0 HG2 GLU A 138 4.403 3.716 16.998 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.339 4.764 16.082 1.00 0.00 H new TER 2200 GLU A 138