USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 976 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 23 HIS : no HD1:sc= 1.06 K(o=3.6,f=-6.6!) USER MOD Set 1.2: A 35 HIS : no HD1:sc= 1.98 K(o=3.6,f=-8.3!) USER MOD Set 1.3: A 113 CYS SG : rot 74:sc= 0.576 USER MOD Set 2.1: A 109 THR OG1 : rot 180:sc= 0.0632 USER MOD Set 2.2: A 112 ASN : amide:sc= 0.76 K(o=0.82,f=-1.1!) USER MOD Set 3.1: A 89 CYS SG : rot 180:sc= 0.0332 USER MOD Set 3.2: A 90 SER OG : rot 180:sc= 0.0116 USER MOD Set 4.1: A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 147:sc= 0.0496 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -161:sc= 1.21 (180deg=0.944) USER MOD Single : A 21 TYR OH : rot 30:sc= 0.421 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -110:sc= 0.0604 USER MOD Single : A 49 SER OG : rot 180:sc= 0.00594 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -177:sc= 1.29 (180deg=1.28) USER MOD Single : A 61 LYS NZ :NH3+ -179:sc= 2.42 (180deg=2.34) USER MOD Single : A 62 LYS NZ :NH3+ -173:sc= 1.33 (180deg=1.26) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 85:sc= 1.93 USER MOD Single : A 73 LYS NZ :NH3+ 154:sc= 1.29 (180deg=1.15) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0.794 K(o=0.79,f=-6.5!) USER MOD Single : A 77 ASN : amide:sc= 0.938 K(o=0.94,f=-2.4!) USER MOD Single : A 78 ASN : amide:sc= 2.3 K(o=2.3,f=-7.5!) USER MOD Single : A 79 LYS NZ :NH3+ 165:sc= 1.26 (180deg=1.18) USER MOD Single : A 80 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.49) USER MOD Single : A 83 LYS NZ :NH3+ -156:sc= 1.26 (180deg=1.05) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 27:sc= 1.97 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.548 K(o=-0.55,f=0) USER MOD Single : A 102 GLN : amide:sc= 0.67 K(o=0.67,f=-0.032) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -93:sc= 1.25 USER MOD Single : A 115 HIS : no HD1:sc= -0.0972 K(o=-0.097,f=-2.4!) USER MOD Single : A 118 ASN : amide:sc= 0.904 K(o=0.9,f=-1.8!) USER MOD Single : A 122 TYR OH : rot 150:sc= 0.259 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.249 1.582 -3.725 1.00 0.00 N ATOM 2 CA MET A 1 2.594 1.695 -3.111 1.00 0.00 C ATOM 3 C MET A 1 3.652 1.160 -4.080 1.00 0.00 C ATOM 4 O MET A 1 3.372 0.252 -4.873 1.00 0.00 O ATOM 5 CB MET A 1 2.647 0.973 -1.744 1.00 0.00 C ATOM 6 CG MET A 1 3.933 1.244 -0.944 1.00 0.00 C ATOM 7 SD MET A 1 4.342 2.991 -0.645 1.00 0.00 S ATOM 8 CE MET A 1 3.076 3.427 0.580 1.00 0.00 C ATOM 0 H1 MET A 1 0.544 1.395 -2.984 1.00 0.00 H new ATOM 0 H2 MET A 1 1.014 2.471 -4.211 1.00 0.00 H new ATOM 0 H3 MET A 1 1.245 0.801 -4.411 1.00 0.00 H new ATOM 0 HA MET A 1 2.808 2.746 -2.919 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.788 1.282 -1.148 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.552 -0.100 -1.907 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.848 0.742 0.020 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.768 0.782 -1.471 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.192 4.472 0.867 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.086 3.277 0.149 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.188 2.794 1.460 1.00 0.00 H new ATOM 20 N ARG A 2 4.868 1.718 -4.036 1.00 0.00 N ATOM 21 CA ARG A 2 6.051 1.201 -4.724 1.00 0.00 C ATOM 22 C ARG A 2 7.253 1.457 -3.813 1.00 0.00 C ATOM 23 O ARG A 2 7.250 2.442 -3.073 1.00 0.00 O ATOM 24 CB ARG A 2 6.269 1.914 -6.077 1.00 0.00 C ATOM 25 CG ARG A 2 5.230 1.614 -7.171 1.00 0.00 C ATOM 26 CD ARG A 2 5.229 0.139 -7.599 1.00 0.00 C ATOM 27 NE ARG A 2 4.292 -0.099 -8.712 1.00 0.00 N ATOM 28 CZ ARG A 2 3.007 -0.466 -8.607 1.00 0.00 C ATOM 29 NH1 ARG A 2 2.422 -0.576 -7.417 1.00 0.00 N ATOM 30 NH2 ARG A 2 2.310 -0.726 -9.708 1.00 0.00 N ATOM 0 H ARG A 2 5.059 2.567 -3.504 1.00 0.00 H new ATOM 0 HA ARG A 2 5.923 0.138 -4.930 1.00 0.00 H new ATOM 0 HB2 ARG A 2 6.282 2.990 -5.901 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.254 1.641 -6.455 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.238 1.883 -6.808 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.432 2.240 -8.040 1.00 0.00 H new ATOM 0 HD2 ARG A 2 6.235 -0.155 -7.899 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.954 -0.487 -6.750 1.00 0.00 H new ATOM 0 HE ARG A 2 4.658 0.028 -9.656 1.00 0.00 H new ATOM 0 HH11 ARG A 2 2.952 -0.380 -6.568 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.443 -0.856 -7.354 1.00 0.00 H new ATOM 0 HH21 ARG A 2 2.753 -0.646 -10.623 1.00 0.00 H new ATOM 0 HH22 ARG A 2 1.332 -1.006 -9.638 1.00 0.00 H new ATOM 44 N ALA A 3 8.276 0.598 -3.918 1.00 0.00 N ATOM 45 CA ALA A 3 9.553 0.655 -3.196 1.00 0.00 C ATOM 46 C ALA A 3 9.450 1.216 -1.757 1.00 0.00 C ATOM 47 O ALA A 3 10.081 2.235 -1.452 1.00 0.00 O ATOM 48 CB ALA A 3 10.586 1.392 -4.065 1.00 0.00 C ATOM 0 H ALA A 3 8.231 -0.203 -4.547 1.00 0.00 H new ATOM 0 HA ALA A 3 9.891 -0.369 -3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.538 1.439 -3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.719 0.857 -5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.234 2.403 -4.270 1.00 0.00 H new ATOM 54 N PRO A 4 8.650 0.597 -0.866 1.00 0.00 N ATOM 55 CA PRO A 4 8.517 1.033 0.518 1.00 0.00 C ATOM 56 C PRO A 4 9.780 0.700 1.328 1.00 0.00 C ATOM 57 O PRO A 4 10.682 -0.003 0.862 1.00 0.00 O ATOM 58 CB PRO A 4 7.293 0.276 1.051 1.00 0.00 C ATOM 59 CG PRO A 4 7.345 -1.044 0.285 1.00 0.00 C ATOM 60 CD PRO A 4 7.884 -0.622 -1.081 1.00 0.00 C ATOM 0 HA PRO A 4 8.393 2.113 0.599 1.00 0.00 H new ATOM 0 HB2 PRO A 4 7.352 0.120 2.128 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.367 0.818 0.858 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.998 -1.768 0.771 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.360 -1.505 0.206 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.512 -1.404 -1.509 1.00 0.00 H new ATOM 0 HD3 PRO A 4 7.068 -0.449 -1.783 1.00 0.00 H new ATOM 68 N ILE A 5 9.798 1.155 2.583 1.00 0.00 N ATOM 69 CA ILE A 5 10.771 0.774 3.603 1.00 0.00 C ATOM 70 C ILE A 5 9.899 0.355 4.800 1.00 0.00 C ATOM 71 O ILE A 5 9.692 1.150 5.722 1.00 0.00 O ATOM 72 CB ILE A 5 11.792 1.909 3.887 1.00 0.00 C ATOM 73 CG1 ILE A 5 12.465 2.411 2.585 1.00 0.00 C ATOM 74 CG2 ILE A 5 12.859 1.409 4.882 1.00 0.00 C ATOM 75 CD1 ILE A 5 13.479 3.546 2.787 1.00 0.00 C ATOM 0 H ILE A 5 9.109 1.824 2.927 1.00 0.00 H new ATOM 0 HA ILE A 5 11.426 -0.045 3.305 1.00 0.00 H new ATOM 0 HB ILE A 5 11.253 2.750 4.322 1.00 0.00 H new ATOM 0 HG12 ILE A 5 12.969 1.572 2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 5 11.690 2.752 1.899 1.00 0.00 H new ATOM 0 HG21 ILE A 5 13.574 2.207 5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 5 12.377 1.114 5.814 1.00 0.00 H new ATOM 0 HG23 ILE A 5 13.380 0.552 4.456 1.00 0.00 H new ATOM 0 HD11 ILE A 5 13.900 3.834 1.824 1.00 0.00 H new ATOM 0 HD12 ILE A 5 12.979 4.405 3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 5 14.279 3.207 3.445 1.00 0.00 H new ATOM 87 N PRO A 6 9.249 -0.822 4.728 1.00 0.00 N ATOM 88 CA PRO A 6 8.308 -1.276 5.731 1.00 0.00 C ATOM 89 C PRO A 6 9.078 -1.882 6.910 1.00 0.00 C ATOM 90 O PRO A 6 10.299 -2.057 6.866 1.00 0.00 O ATOM 91 CB PRO A 6 7.466 -2.324 4.997 1.00 0.00 C ATOM 92 CG PRO A 6 8.460 -2.986 4.040 1.00 0.00 C ATOM 93 CD PRO A 6 9.576 -1.951 3.867 1.00 0.00 C ATOM 0 HA PRO A 6 7.685 -0.484 6.147 1.00 0.00 H new ATOM 0 HB2 PRO A 6 7.035 -3.047 5.689 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.637 -1.865 4.458 1.00 0.00 H new ATOM 0 HG2 PRO A 6 8.845 -3.919 4.451 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.991 -3.227 3.086 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.542 -2.376 4.140 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.650 -1.634 2.827 1.00 0.00 H new ATOM 101 N GLU A 7 8.345 -2.275 7.948 1.00 0.00 N ATOM 102 CA GLU A 7 8.871 -3.062 9.055 1.00 0.00 C ATOM 103 C GLU A 7 7.825 -4.152 9.321 1.00 0.00 C ATOM 104 O GLU A 7 6.993 -3.987 10.218 1.00 0.00 O ATOM 105 CB GLU A 7 9.187 -2.157 10.259 1.00 0.00 C ATOM 106 CG GLU A 7 10.335 -1.185 9.935 1.00 0.00 C ATOM 107 CD GLU A 7 10.754 -0.372 11.171 1.00 0.00 C ATOM 108 OE1 GLU A 7 10.171 0.707 11.427 1.00 0.00 O ATOM 109 OE2 GLU A 7 11.687 -0.790 11.895 1.00 0.00 O ATOM 0 H GLU A 7 7.354 -2.051 8.043 1.00 0.00 H new ATOM 0 HA GLU A 7 9.826 -3.538 8.832 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.297 -1.593 10.538 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.458 -2.771 11.118 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.192 -1.745 9.560 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.025 -0.506 9.140 1.00 0.00 H new ATOM 116 N PRO A 8 7.768 -5.193 8.462 1.00 0.00 N ATOM 117 CA PRO A 8 6.732 -6.222 8.517 1.00 0.00 C ATOM 118 C PRO A 8 6.615 -6.865 9.905 1.00 0.00 C ATOM 119 O PRO A 8 7.617 -7.009 10.616 1.00 0.00 O ATOM 120 CB PRO A 8 7.113 -7.265 7.459 1.00 0.00 C ATOM 121 CG PRO A 8 8.063 -6.541 6.509 1.00 0.00 C ATOM 122 CD PRO A 8 8.718 -5.482 7.389 1.00 0.00 C ATOM 0 HA PRO A 8 5.754 -5.784 8.320 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.595 -8.130 7.914 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.232 -7.631 6.932 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.801 -7.222 6.085 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.527 -6.091 5.673 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.663 -5.844 7.794 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.941 -4.583 6.814 1.00 0.00 H new ATOM 130 N LYS A 9 5.412 -7.315 10.269 1.00 0.00 N ATOM 131 CA LYS A 9 5.149 -8.046 11.510 1.00 0.00 C ATOM 132 C LYS A 9 4.741 -9.473 11.137 1.00 0.00 C ATOM 133 O LYS A 9 4.010 -9.642 10.158 1.00 0.00 O ATOM 134 CB LYS A 9 4.027 -7.381 12.329 1.00 0.00 C ATOM 135 CG LYS A 9 4.191 -5.874 12.594 1.00 0.00 C ATOM 136 CD LYS A 9 5.508 -5.503 13.296 1.00 0.00 C ATOM 137 CE LYS A 9 5.592 -4.010 13.651 1.00 0.00 C ATOM 138 NZ LYS A 9 5.518 -3.125 12.461 1.00 0.00 N ATOM 0 H LYS A 9 4.578 -7.179 9.698 1.00 0.00 H new ATOM 0 HA LYS A 9 6.048 -8.044 12.127 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.082 -7.538 11.809 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.952 -7.893 13.288 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.134 -5.340 11.645 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.356 -5.530 13.204 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.609 -6.095 14.206 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.346 -5.766 12.650 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.781 -3.759 14.335 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.526 -3.820 14.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.893 -2.186 12.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.081 -3.534 11.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.528 -3.034 12.157 1.00 0.00 H new ATOM 152 N PRO A 10 5.217 -10.511 11.849 1.00 0.00 N ATOM 153 CA PRO A 10 4.833 -11.898 11.594 1.00 0.00 C ATOM 154 C PRO A 10 3.306 -12.041 11.474 1.00 0.00 C ATOM 155 O PRO A 10 2.564 -11.497 12.295 1.00 0.00 O ATOM 156 CB PRO A 10 5.436 -12.695 12.754 1.00 0.00 C ATOM 157 CG PRO A 10 6.671 -11.879 13.134 1.00 0.00 C ATOM 158 CD PRO A 10 6.200 -10.445 12.921 1.00 0.00 C ATOM 0 HA PRO A 10 5.208 -12.272 10.641 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.739 -12.782 13.588 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.700 -13.708 12.452 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.973 -12.057 14.166 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.527 -12.122 12.505 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.760 -10.037 13.831 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.032 -9.795 12.650 1.00 0.00 H new ATOM 166 N GLY A 11 2.841 -12.741 10.435 1.00 0.00 N ATOM 167 CA GLY A 11 1.445 -12.819 10.036 1.00 0.00 C ATOM 168 C GLY A 11 1.158 -11.984 8.782 1.00 0.00 C ATOM 169 O GLY A 11 0.160 -12.245 8.116 1.00 0.00 O ATOM 0 H GLY A 11 3.455 -13.287 9.830 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.180 -13.859 9.847 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.814 -12.472 10.855 1.00 0.00 H new ATOM 173 N ASP A 12 1.991 -10.990 8.448 1.00 0.00 N ATOM 174 CA ASP A 12 1.731 -10.078 7.329 1.00 0.00 C ATOM 175 C ASP A 12 1.807 -10.799 5.984 1.00 0.00 C ATOM 176 O ASP A 12 2.663 -11.668 5.781 1.00 0.00 O ATOM 177 CB ASP A 12 2.741 -8.912 7.300 1.00 0.00 C ATOM 178 CG ASP A 12 2.375 -7.718 8.197 1.00 0.00 C ATOM 179 OD1 ASP A 12 1.191 -7.567 8.578 1.00 0.00 O ATOM 180 OD2 ASP A 12 3.273 -6.890 8.469 1.00 0.00 O ATOM 0 H ASP A 12 2.861 -10.797 8.944 1.00 0.00 H new ATOM 0 HA ASP A 12 0.724 -9.692 7.485 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.718 -9.289 7.602 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.839 -8.560 6.273 1.00 0.00 H new ATOM 185 N LEU A 13 0.947 -10.391 5.042 1.00 0.00 N ATOM 186 CA LEU A 13 1.071 -10.792 3.646 1.00 0.00 C ATOM 187 C LEU A 13 2.220 -10.001 3.029 1.00 0.00 C ATOM 188 O LEU A 13 2.324 -8.786 3.229 1.00 0.00 O ATOM 189 CB LEU A 13 -0.188 -10.463 2.822 1.00 0.00 C ATOM 190 CG LEU A 13 -1.400 -11.406 2.909 1.00 0.00 C ATOM 191 CD1 LEU A 13 -2.315 -11.193 1.700 1.00 0.00 C ATOM 192 CD2 LEU A 13 -0.970 -12.867 2.955 1.00 0.00 C ATOM 0 H LEU A 13 0.153 -9.778 5.230 1.00 0.00 H new ATOM 0 HA LEU A 13 1.231 -11.870 3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.523 -9.468 3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.109 -10.404 1.775 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.934 -11.173 3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.171 -11.864 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.664 -10.160 1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.762 -11.402 0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.852 -13.504 3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.409 -13.110 2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.341 -13.034 3.829 1.00 0.00 H new ATOM 204 N ILE A 14 3.008 -10.672 2.197 1.00 0.00 N ATOM 205 CA ILE A 14 4.140 -10.103 1.494 1.00 0.00 C ATOM 206 C ILE A 14 3.904 -10.348 0.009 1.00 0.00 C ATOM 207 O ILE A 14 3.655 -11.485 -0.404 1.00 0.00 O ATOM 208 CB ILE A 14 5.443 -10.787 1.973 1.00 0.00 C ATOM 209 CG1 ILE A 14 5.694 -10.642 3.490 1.00 0.00 C ATOM 210 CG2 ILE A 14 6.658 -10.295 1.168 1.00 0.00 C ATOM 211 CD1 ILE A 14 5.893 -9.206 3.992 1.00 0.00 C ATOM 0 H ILE A 14 2.867 -11.661 1.990 1.00 0.00 H new ATOM 0 HA ILE A 14 4.241 -9.035 1.687 1.00 0.00 H new ATOM 0 HB ILE A 14 5.306 -11.852 1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.851 -11.081 4.024 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.577 -11.226 3.752 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.558 -10.793 1.527 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.513 -10.525 0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.765 -9.217 1.293 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.062 -9.217 5.069 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.755 -8.763 3.494 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.003 -8.616 3.770 1.00 0.00 H new ATOM 223 N GLU A 15 3.996 -9.292 -0.792 1.00 0.00 N ATOM 224 CA GLU A 15 4.100 -9.435 -2.231 1.00 0.00 C ATOM 225 C GLU A 15 5.579 -9.225 -2.546 1.00 0.00 C ATOM 226 O GLU A 15 6.290 -8.486 -1.863 1.00 0.00 O ATOM 227 CB GLU A 15 3.178 -8.481 -3.004 1.00 0.00 C ATOM 228 CG GLU A 15 3.574 -7.006 -2.887 1.00 0.00 C ATOM 229 CD GLU A 15 2.802 -6.112 -3.865 1.00 0.00 C ATOM 230 OE1 GLU A 15 1.553 -6.072 -3.804 1.00 0.00 O ATOM 231 OE2 GLU A 15 3.459 -5.422 -4.678 1.00 0.00 O ATOM 0 H GLU A 15 4.000 -8.326 -0.463 1.00 0.00 H new ATOM 0 HA GLU A 15 3.760 -10.418 -2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.178 -8.765 -4.056 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.158 -8.603 -2.641 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.394 -6.664 -1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.643 -6.904 -3.073 1.00 0.00 H new ATOM 238 N ILE A 16 6.028 -9.859 -3.608 1.00 0.00 N ATOM 239 CA ILE A 16 7.388 -9.930 -4.085 1.00 0.00 C ATOM 240 C ILE A 16 7.265 -9.389 -5.500 1.00 0.00 C ATOM 241 O ILE A 16 6.577 -9.991 -6.325 1.00 0.00 O ATOM 242 CB ILE A 16 7.853 -11.404 -4.068 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.788 -12.086 -2.682 1.00 0.00 C ATOM 244 CG2 ILE A 16 9.239 -11.556 -4.717 1.00 0.00 C ATOM 245 CD1 ILE A 16 8.812 -11.581 -1.663 1.00 0.00 C ATOM 0 H ILE A 16 5.393 -10.383 -4.210 1.00 0.00 H new ATOM 0 HA ILE A 16 8.116 -9.377 -3.491 1.00 0.00 H new ATOM 0 HB ILE A 16 7.124 -11.944 -4.673 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.789 -11.944 -2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.929 -13.159 -2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.540 -12.603 -4.691 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.195 -11.217 -5.752 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.965 -10.956 -4.169 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.687 -12.120 -0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.819 -11.748 -2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.661 -10.515 -1.493 1.00 0.00 H new ATOM 257 N PHE A 17 7.862 -8.240 -5.784 1.00 0.00 N ATOM 258 CA PHE A 17 7.889 -7.728 -7.146 1.00 0.00 C ATOM 259 C PHE A 17 8.744 -8.677 -7.991 1.00 0.00 C ATOM 260 O PHE A 17 9.855 -9.030 -7.587 1.00 0.00 O ATOM 261 CB PHE A 17 8.431 -6.294 -7.148 1.00 0.00 C ATOM 262 CG PHE A 17 7.469 -5.292 -7.747 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.451 -4.725 -6.953 1.00 0.00 C ATOM 264 CD2 PHE A 17 7.577 -4.944 -9.107 1.00 0.00 C ATOM 265 CE1 PHE A 17 5.552 -3.805 -7.522 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.677 -4.024 -9.672 1.00 0.00 C ATOM 267 CZ PHE A 17 5.665 -3.455 -8.880 1.00 0.00 C ATOM 0 H PHE A 17 8.330 -7.650 -5.096 1.00 0.00 H new ATOM 0 HA PHE A 17 6.888 -7.688 -7.575 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.662 -5.999 -6.124 1.00 0.00 H new ATOM 0 HB3 PHE A 17 9.367 -6.267 -7.706 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.362 -4.996 -5.911 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.352 -5.384 -9.717 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.774 -3.366 -6.915 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.763 -3.754 -10.714 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.973 -2.748 -9.314 1.00 0.00 H new ATOM 277 N ARG A 18 8.244 -9.101 -9.155 1.00 0.00 N ATOM 278 CA ARG A 18 8.974 -9.949 -10.093 1.00 0.00 C ATOM 279 C ARG A 18 9.341 -9.096 -11.312 1.00 0.00 C ATOM 280 O ARG A 18 8.793 -8.001 -11.455 1.00 0.00 O ATOM 281 CB ARG A 18 8.083 -11.157 -10.444 1.00 0.00 C ATOM 282 CG ARG A 18 7.742 -12.042 -9.232 1.00 0.00 C ATOM 283 CD ARG A 18 8.932 -12.888 -8.796 1.00 0.00 C ATOM 284 NE ARG A 18 9.175 -14.037 -9.683 1.00 0.00 N ATOM 285 CZ ARG A 18 10.111 -14.978 -9.507 1.00 0.00 C ATOM 286 NH1 ARG A 18 10.986 -14.909 -8.506 1.00 0.00 N ATOM 287 NH2 ARG A 18 10.155 -15.998 -10.357 1.00 0.00 N ATOM 0 H ARG A 18 7.306 -8.859 -9.474 1.00 0.00 H new ATOM 0 HA ARG A 18 9.900 -10.340 -9.672 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.157 -10.797 -10.893 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.587 -11.764 -11.196 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.420 -11.413 -8.402 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.905 -12.694 -9.482 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.824 -12.263 -8.767 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.763 -13.248 -7.781 1.00 0.00 H new ATOM 0 HE ARG A 18 8.577 -14.124 -10.505 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.952 -14.127 -7.852 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.690 -15.638 -8.393 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.484 -16.052 -11.124 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.859 -16.727 -10.243 1.00 0.00 H new ATOM 301 N PRO A 19 10.235 -9.566 -12.203 1.00 0.00 N ATOM 302 CA PRO A 19 10.755 -8.769 -13.315 1.00 0.00 C ATOM 303 C PRO A 19 9.703 -8.064 -14.185 1.00 0.00 C ATOM 304 O PRO A 19 9.996 -7.003 -14.741 1.00 0.00 O ATOM 305 CB PRO A 19 11.624 -9.728 -14.132 1.00 0.00 C ATOM 306 CG PRO A 19 12.142 -10.698 -13.071 1.00 0.00 C ATOM 307 CD PRO A 19 10.947 -10.838 -12.131 1.00 0.00 C ATOM 0 HA PRO A 19 11.315 -7.925 -12.912 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.048 -10.240 -14.902 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.438 -9.207 -14.636 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.430 -11.656 -13.504 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.018 -10.304 -12.556 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.304 -11.664 -12.436 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.273 -11.047 -11.112 1.00 0.00 H new ATOM 315 N PHE A 20 8.489 -8.618 -14.293 1.00 0.00 N ATOM 316 CA PHE A 20 7.371 -8.000 -15.013 1.00 0.00 C ATOM 317 C PHE A 20 6.009 -8.324 -14.360 1.00 0.00 C ATOM 318 O PHE A 20 4.967 -8.162 -14.995 1.00 0.00 O ATOM 319 CB PHE A 20 7.442 -8.449 -16.489 1.00 0.00 C ATOM 320 CG PHE A 20 6.651 -7.594 -17.466 1.00 0.00 C ATOM 321 CD1 PHE A 20 7.047 -6.265 -17.717 1.00 0.00 C ATOM 322 CD2 PHE A 20 5.534 -8.125 -18.141 1.00 0.00 C ATOM 323 CE1 PHE A 20 6.326 -5.471 -18.627 1.00 0.00 C ATOM 324 CE2 PHE A 20 4.813 -7.330 -19.052 1.00 0.00 C ATOM 325 CZ PHE A 20 5.208 -6.002 -19.295 1.00 0.00 C ATOM 0 H PHE A 20 8.254 -9.519 -13.877 1.00 0.00 H new ATOM 0 HA PHE A 20 7.457 -6.915 -14.964 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.487 -8.455 -16.800 1.00 0.00 H new ATOM 0 HB3 PHE A 20 7.083 -9.476 -16.557 1.00 0.00 H new ATOM 0 HD1 PHE A 20 7.907 -5.855 -17.209 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.230 -9.145 -17.959 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.631 -4.452 -18.813 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.956 -7.740 -19.565 1.00 0.00 H new ATOM 0 HZ PHE A 20 4.654 -5.392 -19.993 1.00 0.00 H new ATOM 335 N TYR A 21 5.992 -8.834 -13.120 1.00 0.00 N ATOM 336 CA TYR A 21 4.794 -9.376 -12.472 1.00 0.00 C ATOM 337 C TYR A 21 4.970 -9.327 -10.945 1.00 0.00 C ATOM 338 O TYR A 21 5.763 -8.519 -10.456 1.00 0.00 O ATOM 339 CB TYR A 21 4.489 -10.779 -13.042 1.00 0.00 C ATOM 340 CG TYR A 21 5.562 -11.848 -12.885 1.00 0.00 C ATOM 341 CD1 TYR A 21 6.636 -11.934 -13.788 1.00 0.00 C ATOM 342 CD2 TYR A 21 5.448 -12.800 -11.860 1.00 0.00 C ATOM 343 CE1 TYR A 21 7.580 -12.974 -13.675 1.00 0.00 C ATOM 344 CE2 TYR A 21 6.367 -13.856 -11.744 1.00 0.00 C ATOM 345 CZ TYR A 21 7.444 -13.945 -12.655 1.00 0.00 C ATOM 346 OH TYR A 21 8.367 -14.937 -12.506 1.00 0.00 O ATOM 0 H TYR A 21 6.824 -8.881 -12.532 1.00 0.00 H new ATOM 0 HA TYR A 21 3.915 -8.769 -12.690 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.578 -11.144 -12.568 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.274 -10.671 -14.105 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.738 -11.199 -14.573 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.640 -12.719 -11.148 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.407 -13.030 -14.367 1.00 0.00 H new ATOM 0 HE2 TYR A 21 6.251 -14.594 -10.964 1.00 0.00 H new ATOM 0 HH TYR A 21 9.244 -14.615 -12.803 1.00 0.00 H new ATOM 356 N ARG A 22 4.277 -10.169 -10.166 1.00 0.00 N ATOM 357 CA ARG A 22 4.465 -10.262 -8.720 1.00 0.00 C ATOM 358 C ARG A 22 4.325 -11.718 -8.285 1.00 0.00 C ATOM 359 O ARG A 22 3.699 -12.515 -8.981 1.00 0.00 O ATOM 360 CB ARG A 22 3.535 -9.291 -7.951 1.00 0.00 C ATOM 361 CG ARG A 22 2.045 -9.212 -8.348 1.00 0.00 C ATOM 362 CD ARG A 22 1.332 -10.564 -8.299 1.00 0.00 C ATOM 363 NE ARG A 22 -0.141 -10.452 -8.306 1.00 0.00 N ATOM 364 CZ ARG A 22 -0.963 -10.988 -9.219 1.00 0.00 C ATOM 365 NH1 ARG A 22 -0.553 -11.318 -10.437 1.00 0.00 N ATOM 366 NH2 ARG A 22 -2.222 -11.240 -8.911 1.00 0.00 N ATOM 0 H ARG A 22 3.567 -10.806 -10.528 1.00 0.00 H new ATOM 0 HA ARG A 22 5.474 -9.938 -8.464 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.581 -9.558 -6.895 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.954 -8.289 -8.045 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.535 -8.516 -7.682 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.966 -8.804 -9.356 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.647 -11.164 -9.153 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.644 -11.098 -7.402 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.570 -9.920 -7.549 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.419 -11.166 -10.707 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.210 -11.724 -11.104 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.571 -11.027 -7.977 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.846 -11.648 -9.608 1.00 0.00 H new ATOM 380 N HIS A 23 4.888 -12.060 -7.141 1.00 0.00 N ATOM 381 CA HIS A 23 4.773 -13.351 -6.477 1.00 0.00 C ATOM 382 C HIS A 23 4.329 -13.052 -5.038 1.00 0.00 C ATOM 383 O HIS A 23 4.339 -11.887 -4.626 1.00 0.00 O ATOM 384 CB HIS A 23 6.114 -14.100 -6.563 1.00 0.00 C ATOM 385 CG HIS A 23 6.124 -15.431 -5.854 1.00 0.00 C ATOM 386 ND1 HIS A 23 5.099 -16.379 -5.908 1.00 0.00 N ATOM 387 CD2 HIS A 23 7.103 -15.880 -5.016 1.00 0.00 C ATOM 388 CE1 HIS A 23 5.494 -17.385 -5.105 1.00 0.00 C ATOM 389 NE2 HIS A 23 6.689 -17.111 -4.561 1.00 0.00 N ATOM 0 H HIS A 23 5.472 -11.408 -6.618 1.00 0.00 H new ATOM 0 HA HIS A 23 4.042 -14.008 -6.947 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.363 -14.258 -7.612 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.897 -13.470 -6.141 1.00 0.00 H new ATOM 0 HD2 HIS A 23 8.020 -15.371 -4.761 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.928 -18.287 -4.924 1.00 0.00 H new ATOM 0 HE2 HIS A 23 7.204 -17.713 -3.919 1.00 0.00 H new ATOM 397 N TRP A 24 3.929 -14.060 -4.267 1.00 0.00 N ATOM 398 CA TRP A 24 3.332 -13.867 -2.951 1.00 0.00 C ATOM 399 C TRP A 24 3.916 -14.825 -1.923 1.00 0.00 C ATOM 400 O TRP A 24 4.244 -15.968 -2.242 1.00 0.00 O ATOM 401 CB TRP A 24 1.824 -14.067 -3.054 1.00 0.00 C ATOM 402 CG TRP A 24 1.096 -12.935 -3.692 1.00 0.00 C ATOM 403 CD1 TRP A 24 0.760 -12.823 -4.994 1.00 0.00 C ATOM 404 CD2 TRP A 24 0.564 -11.751 -3.039 1.00 0.00 C ATOM 405 NE1 TRP A 24 0.018 -11.672 -5.176 1.00 0.00 N ATOM 406 CE2 TRP A 24 -0.124 -10.964 -4.004 1.00 0.00 C ATOM 407 CE3 TRP A 24 0.563 -11.298 -1.708 1.00 0.00 C ATOM 408 CZ2 TRP A 24 -0.813 -9.792 -3.656 1.00 0.00 C ATOM 409 CZ3 TRP A 24 -0.114 -10.118 -1.346 1.00 0.00 C ATOM 410 CH2 TRP A 24 -0.812 -9.374 -2.314 1.00 0.00 C ATOM 0 H TRP A 24 4.011 -15.039 -4.541 1.00 0.00 H new ATOM 0 HA TRP A 24 3.554 -12.854 -2.617 1.00 0.00 H new ATOM 0 HB2 TRP A 24 1.628 -14.976 -3.623 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.421 -14.224 -2.053 1.00 0.00 H new ATOM 0 HD1 TRP A 24 1.029 -13.523 -5.771 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.377 -11.382 -6.071 1.00 0.00 H new ATOM 0 HE3 TRP A 24 1.089 -11.863 -0.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.336 -9.220 -4.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -0.097 -9.782 -0.320 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.347 -8.481 -2.026 1.00 0.00 H new ATOM 421 N ALA A 25 3.990 -14.348 -0.681 1.00 0.00 N ATOM 422 CA ALA A 25 4.505 -15.049 0.481 1.00 0.00 C ATOM 423 C ALA A 25 3.786 -14.528 1.735 1.00 0.00 C ATOM 424 O ALA A 25 3.041 -13.546 1.673 1.00 0.00 O ATOM 425 CB ALA A 25 6.016 -14.794 0.563 1.00 0.00 C ATOM 0 H ALA A 25 3.672 -13.406 -0.452 1.00 0.00 H new ATOM 0 HA ALA A 25 4.329 -16.122 0.406 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.426 -15.312 1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.497 -15.165 -0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.200 -13.724 0.659 1.00 0.00 H new ATOM 431 N ILE A 26 4.025 -15.155 2.883 1.00 0.00 N ATOM 432 CA ILE A 26 3.488 -14.738 4.169 1.00 0.00 C ATOM 433 C ILE A 26 4.638 -14.745 5.173 1.00 0.00 C ATOM 434 O ILE A 26 5.441 -15.677 5.182 1.00 0.00 O ATOM 435 CB ILE A 26 2.301 -15.657 4.521 1.00 0.00 C ATOM 436 CG1 ILE A 26 1.396 -14.980 5.565 1.00 0.00 C ATOM 437 CG2 ILE A 26 2.700 -17.083 4.940 1.00 0.00 C ATOM 438 CD1 ILE A 26 0.046 -15.695 5.628 1.00 0.00 C ATOM 0 H ILE A 26 4.612 -15.987 2.943 1.00 0.00 H new ATOM 0 HA ILE A 26 3.085 -13.725 4.167 1.00 0.00 H new ATOM 0 HB ILE A 26 1.738 -15.797 3.598 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.875 -15.003 6.544 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.250 -13.931 5.306 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.804 -17.659 5.169 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.242 -17.564 4.125 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.338 -17.038 5.823 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.589 -15.210 6.369 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.436 -15.649 4.652 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.199 -16.737 5.908 1.00 0.00 H new ATOM 450 N TYR A 27 4.770 -13.684 5.963 1.00 0.00 N ATOM 451 CA TYR A 27 5.856 -13.500 6.916 1.00 0.00 C ATOM 452 C TYR A 27 5.527 -14.307 8.170 1.00 0.00 C ATOM 453 O TYR A 27 4.390 -14.261 8.640 1.00 0.00 O ATOM 454 CB TYR A 27 5.971 -11.992 7.192 1.00 0.00 C ATOM 455 CG TYR A 27 7.280 -11.496 7.779 1.00 0.00 C ATOM 456 CD1 TYR A 27 8.500 -11.710 7.111 1.00 0.00 C ATOM 457 CD2 TYR A 27 7.261 -10.705 8.938 1.00 0.00 C ATOM 458 CE1 TYR A 27 9.688 -11.129 7.589 1.00 0.00 C ATOM 459 CE2 TYR A 27 8.442 -10.130 9.438 1.00 0.00 C ATOM 460 CZ TYR A 27 9.663 -10.329 8.755 1.00 0.00 C ATOM 461 OH TYR A 27 10.810 -9.732 9.188 1.00 0.00 O ATOM 0 H TYR A 27 4.107 -12.909 5.957 1.00 0.00 H new ATOM 0 HA TYR A 27 6.816 -13.853 6.541 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.798 -11.462 6.255 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.167 -11.710 7.871 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.524 -12.326 6.224 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.327 -10.536 9.453 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.619 -11.294 7.066 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.416 -9.538 10.341 1.00 0.00 H new ATOM 0 HH TYR A 27 10.624 -9.217 10.001 1.00 0.00 H new ATOM 471 N VAL A 28 6.495 -15.041 8.719 1.00 0.00 N ATOM 472 CA VAL A 28 6.242 -16.017 9.795 1.00 0.00 C ATOM 473 C VAL A 28 7.205 -15.887 10.981 1.00 0.00 C ATOM 474 O VAL A 28 7.061 -16.598 11.976 1.00 0.00 O ATOM 475 CB VAL A 28 6.238 -17.455 9.235 1.00 0.00 C ATOM 476 CG1 VAL A 28 5.097 -17.669 8.234 1.00 0.00 C ATOM 477 CG2 VAL A 28 7.570 -17.850 8.577 1.00 0.00 C ATOM 0 H VAL A 28 7.473 -14.981 8.437 1.00 0.00 H new ATOM 0 HA VAL A 28 5.253 -15.787 10.191 1.00 0.00 H new ATOM 0 HB VAL A 28 6.088 -18.100 10.101 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.127 -18.693 7.862 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.142 -17.490 8.727 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.210 -16.976 7.400 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.502 -18.872 8.204 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.781 -17.174 7.748 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.372 -17.785 9.312 1.00 0.00 H new ATOM 487 N GLY A 29 8.172 -14.980 10.903 1.00 0.00 N ATOM 488 CA GLY A 29 9.164 -14.738 11.936 1.00 0.00 C ATOM 489 C GLY A 29 9.904 -13.464 11.574 1.00 0.00 C ATOM 490 O GLY A 29 9.551 -12.812 10.591 1.00 0.00 O ATOM 0 H GLY A 29 8.288 -14.374 10.091 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.685 -14.639 12.910 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.857 -15.577 12.005 1.00 0.00 H new ATOM 494 N ASP A 30 10.928 -13.100 12.340 1.00 0.00 N ATOM 495 CA ASP A 30 11.691 -11.859 12.162 1.00 0.00 C ATOM 496 C ASP A 30 12.682 -11.961 10.982 1.00 0.00 C ATOM 497 O ASP A 30 13.861 -11.614 11.096 1.00 0.00 O ATOM 498 CB ASP A 30 12.373 -11.486 13.488 1.00 0.00 C ATOM 499 CG ASP A 30 13.068 -10.112 13.432 1.00 0.00 C ATOM 500 OD1 ASP A 30 12.468 -9.136 12.927 1.00 0.00 O ATOM 501 OD2 ASP A 30 14.199 -9.982 13.954 1.00 0.00 O ATOM 0 H ASP A 30 11.261 -13.668 13.119 1.00 0.00 H new ATOM 0 HA ASP A 30 11.008 -11.052 11.897 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.630 -11.481 14.285 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.108 -12.250 13.742 1.00 0.00 H new ATOM 506 N GLY A 31 12.231 -12.513 9.852 1.00 0.00 N ATOM 507 CA GLY A 31 12.978 -12.584 8.605 1.00 0.00 C ATOM 508 C GLY A 31 12.423 -13.637 7.650 1.00 0.00 C ATOM 509 O GLY A 31 12.514 -13.459 6.438 1.00 0.00 O ATOM 0 H GLY A 31 11.305 -12.935 9.784 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.958 -11.609 8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.022 -12.810 8.823 1.00 0.00 H new ATOM 513 N TYR A 32 11.870 -14.740 8.160 1.00 0.00 N ATOM 514 CA TYR A 32 11.446 -15.853 7.316 1.00 0.00 C ATOM 515 C TYR A 32 10.041 -15.636 6.762 1.00 0.00 C ATOM 516 O TYR A 32 9.185 -15.010 7.397 1.00 0.00 O ATOM 517 CB TYR A 32 11.538 -17.177 8.087 1.00 0.00 C ATOM 518 CG TYR A 32 12.970 -17.642 8.281 1.00 0.00 C ATOM 519 CD1 TYR A 32 13.603 -18.394 7.270 1.00 0.00 C ATOM 520 CD2 TYR A 32 13.684 -17.294 9.444 1.00 0.00 C ATOM 521 CE1 TYR A 32 14.944 -18.791 7.414 1.00 0.00 C ATOM 522 CE2 TYR A 32 15.025 -17.688 9.595 1.00 0.00 C ATOM 523 CZ TYR A 32 15.664 -18.437 8.580 1.00 0.00 C ATOM 524 OH TYR A 32 16.966 -18.808 8.736 1.00 0.00 O ATOM 0 H TYR A 32 11.706 -14.884 9.156 1.00 0.00 H new ATOM 0 HA TYR A 32 12.124 -15.903 6.464 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.063 -17.060 9.061 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.980 -17.945 7.551 1.00 0.00 H new ATOM 0 HD1 TYR A 32 13.055 -18.666 6.380 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.200 -16.723 10.222 1.00 0.00 H new ATOM 0 HE1 TYR A 32 15.424 -19.365 6.636 1.00 0.00 H new ATOM 0 HE2 TYR A 32 15.568 -17.418 10.488 1.00 0.00 H new ATOM 0 HH TYR A 32 17.300 -18.477 9.596 1.00 0.00 H new ATOM 534 N VAL A 33 9.791 -16.245 5.606 1.00 0.00 N ATOM 535 CA VAL A 33 8.501 -16.290 4.943 1.00 0.00 C ATOM 536 C VAL A 33 8.175 -17.734 4.573 1.00 0.00 C ATOM 537 O VAL A 33 9.073 -18.554 4.379 1.00 0.00 O ATOM 538 CB VAL A 33 8.490 -15.417 3.669 1.00 0.00 C ATOM 539 CG1 VAL A 33 8.439 -13.924 3.983 1.00 0.00 C ATOM 540 CG2 VAL A 33 9.671 -15.676 2.717 1.00 0.00 C ATOM 0 H VAL A 33 10.516 -16.740 5.088 1.00 0.00 H new ATOM 0 HA VAL A 33 7.750 -15.897 5.629 1.00 0.00 H new ATOM 0 HB VAL A 33 7.575 -15.719 3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.433 -13.356 3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.534 -13.702 4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.313 -13.646 4.572 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.588 -15.023 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.608 -15.473 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.655 -16.716 2.392 1.00 0.00 H new ATOM 550 N VAL A 34 6.887 -18.013 4.421 1.00 0.00 N ATOM 551 CA VAL A 34 6.351 -19.231 3.844 1.00 0.00 C ATOM 552 C VAL A 34 5.734 -18.817 2.511 1.00 0.00 C ATOM 553 O VAL A 34 5.130 -17.746 2.410 1.00 0.00 O ATOM 554 CB VAL A 34 5.349 -19.853 4.837 1.00 0.00 C ATOM 555 CG1 VAL A 34 4.413 -20.887 4.203 1.00 0.00 C ATOM 556 CG2 VAL A 34 6.137 -20.502 5.979 1.00 0.00 C ATOM 0 H VAL A 34 6.156 -17.363 4.711 1.00 0.00 H new ATOM 0 HA VAL A 34 7.098 -20.003 3.660 1.00 0.00 H new ATOM 0 HB VAL A 34 4.709 -19.048 5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.737 -21.280 4.963 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.832 -20.415 3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.002 -21.703 3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.444 -20.948 6.692 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.791 -21.276 5.576 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.738 -19.745 6.482 1.00 0.00 H new ATOM 566 N HIS A 35 5.901 -19.633 1.474 1.00 0.00 N ATOM 567 CA HIS A 35 5.368 -19.350 0.144 1.00 0.00 C ATOM 568 C HIS A 35 5.264 -20.627 -0.680 1.00 0.00 C ATOM 569 O HIS A 35 5.761 -21.674 -0.263 1.00 0.00 O ATOM 570 CB HIS A 35 6.243 -18.304 -0.569 1.00 0.00 C ATOM 571 CG HIS A 35 7.589 -18.757 -1.097 1.00 0.00 C ATOM 572 ND1 HIS A 35 8.166 -18.265 -2.271 1.00 0.00 N ATOM 573 CD2 HIS A 35 8.467 -19.624 -0.505 1.00 0.00 C ATOM 574 CE1 HIS A 35 9.368 -18.852 -2.365 1.00 0.00 C ATOM 575 NE2 HIS A 35 9.574 -19.669 -1.322 1.00 0.00 N ATOM 0 H HIS A 35 6.412 -20.514 1.533 1.00 0.00 H new ATOM 0 HA HIS A 35 4.364 -18.941 0.253 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.672 -17.903 -1.406 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.414 -17.480 0.124 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.321 -20.165 0.418 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.071 -18.689 -3.168 1.00 0.00 H new ATOM 0 HE2 HIS A 35 10.411 -20.230 -1.161 1.00 0.00 H new ATOM 583 N LEU A 36 4.620 -20.554 -1.845 1.00 0.00 N ATOM 584 CA LEU A 36 4.602 -21.662 -2.792 1.00 0.00 C ATOM 585 C LEU A 36 5.883 -21.605 -3.616 1.00 0.00 C ATOM 586 O LEU A 36 6.296 -20.529 -4.057 1.00 0.00 O ATOM 587 CB LEU A 36 3.370 -21.596 -3.716 1.00 0.00 C ATOM 588 CG LEU A 36 2.072 -22.214 -3.170 1.00 0.00 C ATOM 589 CD1 LEU A 36 2.217 -23.700 -2.826 1.00 0.00 C ATOM 590 CD2 LEU A 36 1.554 -21.482 -1.941 1.00 0.00 C ATOM 0 H LEU A 36 4.101 -19.732 -2.154 1.00 0.00 H new ATOM 0 HA LEU A 36 4.542 -22.602 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.177 -20.550 -3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.618 -22.095 -4.653 1.00 0.00 H new ATOM 0 HG LEU A 36 1.354 -22.110 -3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.269 -24.080 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.497 -24.255 -3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.988 -23.824 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.636 -21.957 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.304 -21.522 -1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.350 -20.442 -2.196 1.00 0.00 H new ATOM 602 N ALA A 37 6.481 -22.771 -3.853 1.00 0.00 N ATOM 603 CA ALA A 37 7.715 -22.960 -4.600 1.00 0.00 C ATOM 604 C ALA A 37 7.637 -24.301 -5.358 1.00 0.00 C ATOM 605 O ALA A 37 6.699 -25.074 -5.127 1.00 0.00 O ATOM 606 CB ALA A 37 8.884 -22.935 -3.603 1.00 0.00 C ATOM 0 H ALA A 37 6.096 -23.651 -3.511 1.00 0.00 H new ATOM 0 HA ALA A 37 7.866 -22.169 -5.334 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.823 -23.075 -4.139 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.901 -21.975 -3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.759 -23.737 -2.875 1.00 0.00 H new ATOM 612 N PRO A 38 8.579 -24.595 -6.276 1.00 0.00 N ATOM 613 CA PRO A 38 8.593 -25.856 -7.010 1.00 0.00 C ATOM 614 C PRO A 38 8.614 -27.076 -6.078 1.00 0.00 C ATOM 615 O PRO A 38 9.172 -26.996 -4.977 1.00 0.00 O ATOM 616 CB PRO A 38 9.853 -25.818 -7.882 1.00 0.00 C ATOM 617 CG PRO A 38 10.101 -24.325 -8.080 1.00 0.00 C ATOM 618 CD PRO A 38 9.655 -23.733 -6.747 1.00 0.00 C ATOM 0 HA PRO A 38 7.685 -25.960 -7.605 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.696 -26.304 -7.391 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.700 -26.329 -8.832 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.150 -24.112 -8.287 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.524 -23.926 -8.914 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.479 -23.709 -6.034 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.310 -22.706 -6.870 1.00 0.00 H new ATOM 626 N PRO A 39 8.083 -28.230 -6.522 1.00 0.00 N ATOM 627 CA PRO A 39 8.242 -29.482 -5.795 1.00 0.00 C ATOM 628 C PRO A 39 9.696 -29.983 -5.860 1.00 0.00 C ATOM 629 O PRO A 39 10.156 -30.677 -4.952 1.00 0.00 O ATOM 630 CB PRO A 39 7.276 -30.459 -6.473 1.00 0.00 C ATOM 631 CG PRO A 39 7.236 -29.966 -7.920 1.00 0.00 C ATOM 632 CD PRO A 39 7.367 -28.450 -7.774 1.00 0.00 C ATOM 0 HA PRO A 39 8.021 -29.370 -4.734 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.632 -31.487 -6.408 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.289 -30.434 -6.012 1.00 0.00 H new ATOM 0 HG2 PRO A 39 8.050 -30.386 -8.511 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.306 -30.244 -8.415 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.911 -28.022 -8.616 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.387 -27.973 -7.753 1.00 0.00 H new ATOM 640 N SER A 40 10.403 -29.644 -6.939 1.00 0.00 N ATOM 641 CA SER A 40 11.772 -30.031 -7.228 1.00 0.00 C ATOM 642 C SER A 40 12.761 -29.363 -6.262 1.00 0.00 C ATOM 643 O SER A 40 12.431 -28.378 -5.593 1.00 0.00 O ATOM 644 CB SER A 40 12.070 -29.627 -8.680 1.00 0.00 C ATOM 645 OG SER A 40 10.926 -29.804 -9.508 1.00 0.00 O ATOM 0 H SER A 40 10.006 -29.058 -7.673 1.00 0.00 H new ATOM 0 HA SER A 40 11.889 -31.107 -7.098 1.00 0.00 H new ATOM 0 HB2 SER A 40 12.388 -28.585 -8.712 1.00 0.00 H new ATOM 0 HB3 SER A 40 12.897 -30.225 -9.064 1.00 0.00 H new ATOM 0 HG SER A 40 11.080 -30.551 -10.123 1.00 0.00 H new ATOM 651 N GLU A 41 13.994 -29.868 -6.227 1.00 0.00 N ATOM 652 CA GLU A 41 15.112 -29.304 -5.485 1.00 0.00 C ATOM 653 C GLU A 41 16.372 -29.528 -6.320 1.00 0.00 C ATOM 654 O GLU A 41 16.431 -30.468 -7.118 1.00 0.00 O ATOM 655 CB GLU A 41 15.269 -29.998 -4.121 1.00 0.00 C ATOM 656 CG GLU A 41 14.166 -29.699 -3.093 1.00 0.00 C ATOM 657 CD GLU A 41 14.024 -28.209 -2.719 1.00 0.00 C ATOM 658 OE1 GLU A 41 15.004 -27.434 -2.825 1.00 0.00 O ATOM 659 OE2 GLU A 41 12.928 -27.815 -2.262 1.00 0.00 O ATOM 0 H GLU A 41 14.247 -30.715 -6.736 1.00 0.00 H new ATOM 0 HA GLU A 41 14.941 -28.243 -5.302 1.00 0.00 H new ATOM 0 HB2 GLU A 41 15.307 -31.075 -4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 41 16.228 -29.706 -3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.214 -30.053 -3.488 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.368 -30.270 -2.187 1.00 0.00 H new ATOM 666 N VAL A 42 17.382 -28.683 -6.133 1.00 0.00 N ATOM 667 CA VAL A 42 18.669 -28.798 -6.809 1.00 0.00 C ATOM 668 C VAL A 42 19.515 -29.920 -6.188 1.00 0.00 C ATOM 669 O VAL A 42 19.159 -30.499 -5.154 1.00 0.00 O ATOM 670 CB VAL A 42 19.395 -27.433 -6.793 1.00 0.00 C ATOM 671 CG1 VAL A 42 18.636 -26.412 -7.656 1.00 0.00 C ATOM 672 CG2 VAL A 42 19.592 -26.854 -5.381 1.00 0.00 C ATOM 0 H VAL A 42 17.328 -27.887 -5.497 1.00 0.00 H new ATOM 0 HA VAL A 42 18.506 -29.073 -7.851 1.00 0.00 H new ATOM 0 HB VAL A 42 20.387 -27.620 -7.204 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.160 -25.456 -7.634 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.582 -26.773 -8.683 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.628 -26.282 -7.263 1.00 0.00 H new ATOM 0 HG21 VAL A 42 20.108 -25.896 -5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.621 -26.710 -4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 42 20.187 -27.545 -4.784 1.00 0.00 H new ATOM 682 N ALA A 43 20.659 -30.199 -6.823 1.00 0.00 N ATOM 683 CA ALA A 43 21.688 -31.106 -6.332 1.00 0.00 C ATOM 684 C ALA A 43 21.993 -30.802 -4.860 1.00 0.00 C ATOM 685 O ALA A 43 22.471 -29.712 -4.533 1.00 0.00 O ATOM 686 CB ALA A 43 22.939 -30.976 -7.211 1.00 0.00 C ATOM 0 H ALA A 43 20.896 -29.782 -7.723 1.00 0.00 H new ATOM 0 HA ALA A 43 21.338 -32.137 -6.389 1.00 0.00 H new ATOM 0 HB1 ALA A 43 23.712 -31.653 -6.847 1.00 0.00 H new ATOM 0 HB2 ALA A 43 22.688 -31.231 -8.241 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.307 -29.951 -7.171 1.00 0.00 H new ATOM 692 N GLY A 44 21.672 -31.754 -3.984 1.00 0.00 N ATOM 693 CA GLY A 44 21.745 -31.611 -2.534 1.00 0.00 C ATOM 694 C GLY A 44 20.496 -32.200 -1.878 1.00 0.00 C ATOM 695 O GLY A 44 20.603 -32.871 -0.850 1.00 0.00 O ATOM 0 H GLY A 44 21.344 -32.675 -4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 44 22.634 -32.116 -2.157 1.00 0.00 H new ATOM 0 HA3 GLY A 44 21.840 -30.558 -2.270 1.00 0.00 H new ATOM 699 N ALA A 45 19.326 -32.012 -2.504 1.00 0.00 N ATOM 700 CA ALA A 45 18.049 -32.586 -2.070 1.00 0.00 C ATOM 701 C ALA A 45 17.183 -33.058 -3.255 1.00 0.00 C ATOM 702 O ALA A 45 16.092 -33.593 -3.048 1.00 0.00 O ATOM 703 CB ALA A 45 17.304 -31.562 -1.204 1.00 0.00 C ATOM 0 H ALA A 45 19.242 -31.443 -3.346 1.00 0.00 H new ATOM 0 HA ALA A 45 18.257 -33.477 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 45 16.353 -31.984 -0.878 1.00 0.00 H new ATOM 0 HB2 ALA A 45 17.909 -31.315 -0.332 1.00 0.00 H new ATOM 0 HB3 ALA A 45 17.120 -30.659 -1.786 1.00 0.00 H new ATOM 709 N GLY A 46 17.663 -32.886 -4.486 1.00 0.00 N ATOM 710 CA GLY A 46 17.031 -33.292 -5.730 1.00 0.00 C ATOM 711 C GLY A 46 18.088 -33.212 -6.831 1.00 0.00 C ATOM 712 O GLY A 46 19.258 -33.502 -6.565 1.00 0.00 O ATOM 0 H GLY A 46 18.561 -32.430 -4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 46 16.639 -34.306 -5.648 1.00 0.00 H new ATOM 0 HA3 GLY A 46 16.187 -32.642 -5.961 1.00 0.00 H new ATOM 716 N ALA A 47 17.698 -32.833 -8.051 1.00 0.00 N ATOM 717 CA ALA A 47 18.606 -32.725 -9.191 1.00 0.00 C ATOM 718 C ALA A 47 18.266 -31.579 -10.162 1.00 0.00 C ATOM 719 O ALA A 47 18.977 -31.429 -11.159 1.00 0.00 O ATOM 720 CB ALA A 47 18.618 -34.070 -9.934 1.00 0.00 C ATOM 0 H ALA A 47 16.733 -32.591 -8.275 1.00 0.00 H new ATOM 0 HA ALA A 47 19.593 -32.483 -8.796 1.00 0.00 H new ATOM 0 HB1 ALA A 47 19.291 -34.007 -10.789 1.00 0.00 H new ATOM 0 HB2 ALA A 47 18.960 -34.855 -9.260 1.00 0.00 H new ATOM 0 HB3 ALA A 47 17.611 -34.303 -10.281 1.00 0.00 H new ATOM 726 N ALA A 48 17.213 -30.781 -9.931 1.00 0.00 N ATOM 727 CA ALA A 48 16.795 -29.720 -10.851 1.00 0.00 C ATOM 728 C ALA A 48 15.938 -28.682 -10.127 1.00 0.00 C ATOM 729 O ALA A 48 15.132 -29.030 -9.266 1.00 0.00 O ATOM 730 CB ALA A 48 15.979 -30.323 -12.004 1.00 0.00 C ATOM 0 H ALA A 48 16.628 -30.856 -9.099 1.00 0.00 H new ATOM 0 HA ALA A 48 17.690 -29.235 -11.240 1.00 0.00 H new ATOM 0 HB1 ALA A 48 15.671 -29.530 -12.685 1.00 0.00 H new ATOM 0 HB2 ALA A 48 16.590 -31.047 -12.543 1.00 0.00 H new ATOM 0 HB3 ALA A 48 15.096 -30.821 -11.603 1.00 0.00 H new ATOM 736 N SER A 49 16.060 -27.413 -10.523 1.00 0.00 N ATOM 737 CA SER A 49 15.292 -26.311 -9.950 1.00 0.00 C ATOM 738 C SER A 49 13.780 -26.482 -10.164 1.00 0.00 C ATOM 739 O SER A 49 12.994 -26.084 -9.304 1.00 0.00 O ATOM 740 CB SER A 49 15.769 -24.994 -10.580 1.00 0.00 C ATOM 741 OG SER A 49 17.189 -24.924 -10.619 1.00 0.00 O ATOM 0 H SER A 49 16.703 -27.121 -11.259 1.00 0.00 H new ATOM 0 HA SER A 49 15.461 -26.301 -8.873 1.00 0.00 H new ATOM 0 HB2 SER A 49 15.371 -24.907 -11.591 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.377 -24.152 -10.009 1.00 0.00 H new ATOM 0 HG SER A 49 17.464 -24.076 -11.026 1.00 0.00 H new ATOM 747 N VAL A 50 13.373 -27.087 -11.286 1.00 0.00 N ATOM 748 CA VAL A 50 11.987 -27.359 -11.652 1.00 0.00 C ATOM 749 C VAL A 50 11.946 -28.666 -12.451 1.00 0.00 C ATOM 750 O VAL A 50 12.929 -29.032 -13.105 1.00 0.00 O ATOM 751 CB VAL A 50 11.382 -26.199 -12.484 1.00 0.00 C ATOM 752 CG1 VAL A 50 11.127 -24.941 -11.644 1.00 0.00 C ATOM 753 CG2 VAL A 50 12.228 -25.798 -13.706 1.00 0.00 C ATOM 0 H VAL A 50 14.034 -27.413 -11.992 1.00 0.00 H new ATOM 0 HA VAL A 50 11.389 -27.451 -10.746 1.00 0.00 H new ATOM 0 HB VAL A 50 10.435 -26.606 -12.839 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.703 -24.161 -12.276 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.429 -25.175 -10.840 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.067 -24.592 -11.217 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.738 -24.981 -14.235 1.00 0.00 H new ATOM 0 HG22 VAL A 50 13.215 -25.476 -13.375 1.00 0.00 H new ATOM 0 HG23 VAL A 50 12.331 -26.653 -14.374 1.00 0.00 H new ATOM 763 N MET A 51 10.806 -29.356 -12.419 1.00 0.00 N ATOM 764 CA MET A 51 10.514 -30.480 -13.295 1.00 0.00 C ATOM 765 C MET A 51 10.365 -29.979 -14.737 1.00 0.00 C ATOM 766 O MET A 51 10.097 -28.796 -14.971 1.00 0.00 O ATOM 767 CB MET A 51 9.260 -31.237 -12.804 1.00 0.00 C ATOM 768 CG MET A 51 7.944 -30.439 -12.766 1.00 0.00 C ATOM 769 SD MET A 51 7.806 -29.173 -11.467 1.00 0.00 S ATOM 770 CE MET A 51 6.047 -28.760 -11.617 1.00 0.00 C ATOM 0 H MET A 51 10.049 -29.142 -11.770 1.00 0.00 H new ATOM 0 HA MET A 51 11.340 -31.191 -13.272 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.113 -32.106 -13.446 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.460 -31.612 -11.800 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.810 -29.953 -13.733 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.120 -31.143 -12.647 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.790 -27.992 -10.887 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.845 -28.388 -12.621 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.447 -29.651 -11.433 1.00 0.00 H new ATOM 780 N SER A 52 10.483 -30.886 -15.708 1.00 0.00 N ATOM 781 CA SER A 52 10.398 -30.617 -17.145 1.00 0.00 C ATOM 782 C SER A 52 8.940 -30.411 -17.608 1.00 0.00 C ATOM 783 O SER A 52 8.504 -31.007 -18.594 1.00 0.00 O ATOM 784 CB SER A 52 11.090 -31.773 -17.891 1.00 0.00 C ATOM 785 OG SER A 52 12.369 -32.048 -17.331 1.00 0.00 O ATOM 0 H SER A 52 10.648 -31.872 -15.506 1.00 0.00 H new ATOM 0 HA SER A 52 10.909 -29.682 -17.375 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.468 -32.667 -17.842 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.198 -31.517 -18.945 1.00 0.00 H new ATOM 0 HG SER A 52 12.788 -32.787 -17.820 1.00 0.00 H new ATOM 791 N ALA A 53 8.161 -29.616 -16.858 1.00 0.00 N ATOM 792 CA ALA A 53 6.710 -29.454 -16.980 1.00 0.00 C ATOM 793 C ALA A 53 5.963 -30.804 -16.987 1.00 0.00 C ATOM 794 O ALA A 53 4.898 -30.933 -17.596 1.00 0.00 O ATOM 795 CB ALA A 53 6.376 -28.547 -18.176 1.00 0.00 C ATOM 0 H ALA A 53 8.550 -29.040 -16.112 1.00 0.00 H new ATOM 0 HA ALA A 53 6.341 -28.949 -16.087 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.295 -28.434 -18.256 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.833 -27.568 -18.029 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.763 -28.995 -19.091 1.00 0.00 H new ATOM 801 N LEU A 54 6.531 -31.820 -16.320 1.00 0.00 N ATOM 802 CA LEU A 54 5.958 -33.163 -16.222 1.00 0.00 C ATOM 803 C LEU A 54 4.630 -33.149 -15.455 1.00 0.00 C ATOM 804 O LEU A 54 3.763 -33.988 -15.705 1.00 0.00 O ATOM 805 CB LEU A 54 6.982 -34.088 -15.534 1.00 0.00 C ATOM 806 CG LEU A 54 6.558 -35.568 -15.425 1.00 0.00 C ATOM 807 CD1 LEU A 54 6.307 -36.213 -16.794 1.00 0.00 C ATOM 808 CD2 LEU A 54 7.654 -36.355 -14.696 1.00 0.00 C ATOM 0 H LEU A 54 7.418 -31.725 -15.826 1.00 0.00 H new ATOM 0 HA LEU A 54 5.742 -33.535 -17.223 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.922 -34.035 -16.083 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.176 -33.707 -14.531 1.00 0.00 H new ATOM 0 HG LEU A 54 5.620 -35.597 -14.871 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.012 -37.253 -16.657 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.512 -35.675 -17.309 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.219 -36.170 -17.389 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.359 -37.401 -14.617 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.587 -36.283 -15.255 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.796 -35.941 -13.698 1.00 0.00 H new ATOM 820 N THR A 55 4.459 -32.192 -14.544 1.00 0.00 N ATOM 821 CA THR A 55 3.308 -32.021 -13.675 1.00 0.00 C ATOM 822 C THR A 55 3.085 -30.512 -13.521 1.00 0.00 C ATOM 823 O THR A 55 3.900 -29.701 -13.979 1.00 0.00 O ATOM 824 CB THR A 55 3.574 -32.719 -12.321 1.00 0.00 C ATOM 825 OG1 THR A 55 4.843 -32.347 -11.809 1.00 0.00 O ATOM 826 CG2 THR A 55 3.538 -34.248 -12.425 1.00 0.00 C ATOM 0 H THR A 55 5.167 -31.474 -14.388 1.00 0.00 H new ATOM 0 HA THR A 55 2.409 -32.477 -14.090 1.00 0.00 H new ATOM 0 HB THR A 55 2.774 -32.395 -11.655 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.994 -32.796 -10.951 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.731 -34.684 -11.445 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.556 -34.566 -12.776 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.301 -34.583 -13.128 1.00 0.00 H new ATOM 834 N ASP A 56 1.988 -30.123 -12.867 1.00 0.00 N ATOM 835 CA ASP A 56 1.575 -28.730 -12.687 1.00 0.00 C ATOM 836 C ASP A 56 1.181 -28.458 -11.229 1.00 0.00 C ATOM 837 O ASP A 56 0.326 -27.626 -10.932 1.00 0.00 O ATOM 838 CB ASP A 56 0.455 -28.369 -13.672 1.00 0.00 C ATOM 839 CG ASP A 56 -0.939 -28.900 -13.279 1.00 0.00 C ATOM 840 OD1 ASP A 56 -1.065 -30.093 -12.919 1.00 0.00 O ATOM 841 OD2 ASP A 56 -1.932 -28.149 -13.415 1.00 0.00 O ATOM 0 H ASP A 56 1.345 -30.787 -12.436 1.00 0.00 H new ATOM 0 HA ASP A 56 2.422 -28.082 -12.910 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.404 -27.284 -13.763 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.714 -28.759 -14.656 1.00 0.00 H new ATOM 846 N LYS A 57 1.807 -29.197 -10.314 1.00 0.00 N ATOM 847 CA LYS A 57 1.670 -29.054 -8.868 1.00 0.00 C ATOM 848 C LYS A 57 2.649 -28.002 -8.336 1.00 0.00 C ATOM 849 O LYS A 57 3.507 -27.508 -9.074 1.00 0.00 O ATOM 850 CB LYS A 57 1.888 -30.424 -8.192 1.00 0.00 C ATOM 851 CG LYS A 57 3.260 -31.047 -8.497 1.00 0.00 C ATOM 852 CD LYS A 57 3.695 -32.109 -7.479 1.00 0.00 C ATOM 853 CE LYS A 57 2.700 -33.273 -7.353 1.00 0.00 C ATOM 854 NZ LYS A 57 3.178 -34.310 -6.404 1.00 0.00 N ATOM 0 H LYS A 57 2.451 -29.944 -10.573 1.00 0.00 H new ATOM 0 HA LYS A 57 0.663 -28.709 -8.631 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.782 -30.309 -7.113 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.106 -31.110 -8.518 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.232 -31.497 -9.489 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.010 -30.256 -8.527 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.669 -32.503 -7.769 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.819 -31.638 -6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.735 -32.891 -7.018 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.542 -33.723 -8.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.503 -35.101 -6.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.110 -34.657 -6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.256 -33.900 -5.452 1.00 0.00 H new ATOM 868 N ALA A 58 2.573 -27.730 -7.036 1.00 0.00 N ATOM 869 CA ALA A 58 3.534 -26.930 -6.284 1.00 0.00 C ATOM 870 C ALA A 58 3.619 -27.442 -4.843 1.00 0.00 C ATOM 871 O ALA A 58 2.847 -28.313 -4.436 1.00 0.00 O ATOM 872 CB ALA A 58 3.124 -25.454 -6.320 1.00 0.00 C ATOM 0 H ALA A 58 1.809 -28.075 -6.455 1.00 0.00 H new ATOM 0 HA ALA A 58 4.520 -27.021 -6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.845 -24.862 -5.757 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.099 -25.108 -7.353 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.135 -25.340 -5.875 1.00 0.00 H new ATOM 878 N ILE A 59 4.545 -26.896 -4.052 1.00 0.00 N ATOM 879 CA ILE A 59 4.759 -27.277 -2.661 1.00 0.00 C ATOM 880 C ILE A 59 4.943 -25.998 -1.853 1.00 0.00 C ATOM 881 O ILE A 59 5.486 -25.005 -2.340 1.00 0.00 O ATOM 882 CB ILE A 59 5.943 -28.276 -2.554 1.00 0.00 C ATOM 883 CG1 ILE A 59 5.441 -29.664 -2.996 1.00 0.00 C ATOM 884 CG2 ILE A 59 6.554 -28.382 -1.143 1.00 0.00 C ATOM 885 CD1 ILE A 59 6.393 -30.848 -2.779 1.00 0.00 C ATOM 0 H ILE A 59 5.178 -26.162 -4.370 1.00 0.00 H new ATOM 0 HA ILE A 59 3.902 -27.809 -2.248 1.00 0.00 H new ATOM 0 HB ILE A 59 6.739 -27.901 -3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.512 -29.874 -2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.197 -29.615 -4.057 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.374 -29.100 -1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.930 -27.406 -0.835 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.790 -28.715 -0.440 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.920 -31.765 -3.132 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.316 -30.679 -3.334 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.620 -30.942 -1.717 1.00 0.00 H new ATOM 897 N VAL A 60 4.469 -26.032 -0.615 1.00 0.00 N ATOM 898 CA VAL A 60 4.617 -24.933 0.324 1.00 0.00 C ATOM 899 C VAL A 60 6.011 -25.075 0.936 1.00 0.00 C ATOM 900 O VAL A 60 6.394 -26.158 1.382 1.00 0.00 O ATOM 901 CB VAL A 60 3.492 -25.004 1.372 1.00 0.00 C ATOM 902 CG1 VAL A 60 3.612 -23.875 2.406 1.00 0.00 C ATOM 903 CG2 VAL A 60 2.093 -24.921 0.736 1.00 0.00 C ATOM 0 H VAL A 60 3.966 -26.833 -0.232 1.00 0.00 H new ATOM 0 HA VAL A 60 4.531 -23.956 -0.151 1.00 0.00 H new ATOM 0 HB VAL A 60 3.608 -25.972 1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.801 -23.957 3.130 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.569 -23.955 2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.551 -22.911 1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.335 -24.975 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.993 -23.978 0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.959 -25.751 0.042 1.00 0.00 H new ATOM 913 N LYS A 61 6.781 -23.993 0.962 1.00 0.00 N ATOM 914 CA LYS A 61 8.189 -23.971 1.352 1.00 0.00 C ATOM 915 C LYS A 61 8.399 -22.790 2.297 1.00 0.00 C ATOM 916 O LYS A 61 7.562 -21.886 2.339 1.00 0.00 O ATOM 917 CB LYS A 61 9.041 -23.836 0.069 1.00 0.00 C ATOM 918 CG LYS A 61 10.351 -24.643 0.082 1.00 0.00 C ATOM 919 CD LYS A 61 10.157 -26.163 -0.096 1.00 0.00 C ATOM 920 CE LYS A 61 9.606 -26.590 -1.471 1.00 0.00 C ATOM 921 NZ LYS A 61 10.580 -26.413 -2.577 1.00 0.00 N ATOM 0 H LYS A 61 6.430 -23.071 0.702 1.00 0.00 H new ATOM 0 HA LYS A 61 8.486 -24.884 1.868 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.442 -24.154 -0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.280 -22.783 -0.084 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.000 -24.275 -0.713 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.867 -24.462 1.025 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.115 -26.658 0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.479 -26.521 0.678 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.306 -27.637 -1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.709 -26.011 -1.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.142 -26.702 -3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.862 -25.414 -2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.420 -26.999 -2.397 1.00 0.00 H new ATOM 935 N LYS A 62 9.514 -22.766 3.028 1.00 0.00 N ATOM 936 CA LYS A 62 9.853 -21.698 3.965 1.00 0.00 C ATOM 937 C LYS A 62 11.283 -21.271 3.679 1.00 0.00 C ATOM 938 O LYS A 62 12.158 -22.133 3.575 1.00 0.00 O ATOM 939 CB LYS A 62 9.691 -22.213 5.405 1.00 0.00 C ATOM 940 CG LYS A 62 10.008 -21.148 6.467 1.00 0.00 C ATOM 941 CD LYS A 62 9.768 -21.710 7.872 1.00 0.00 C ATOM 942 CE LYS A 62 10.172 -20.690 8.943 1.00 0.00 C ATOM 943 NZ LYS A 62 9.827 -21.169 10.301 1.00 0.00 N ATOM 0 H LYS A 62 10.219 -23.502 2.984 1.00 0.00 H new ATOM 0 HA LYS A 62 9.192 -20.839 3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.669 -22.564 5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.346 -23.071 5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.044 -20.825 6.369 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.383 -20.269 6.308 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.716 -21.970 7.990 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.340 -22.628 8.004 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.244 -20.502 8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.671 -19.741 8.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.003 -20.411 10.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.823 -21.438 10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.413 -21.995 10.537 1.00 0.00 H new ATOM 957 N GLU A 63 11.524 -19.968 3.534 1.00 0.00 N ATOM 958 CA GLU A 63 12.806 -19.404 3.118 1.00 0.00 C ATOM 959 C GLU A 63 12.975 -18.026 3.765 1.00 0.00 C ATOM 960 O GLU A 63 12.007 -17.425 4.235 1.00 0.00 O ATOM 961 CB GLU A 63 12.873 -19.299 1.578 1.00 0.00 C ATOM 962 CG GLU A 63 12.921 -20.676 0.894 1.00 0.00 C ATOM 963 CD GLU A 63 13.170 -20.580 -0.617 1.00 0.00 C ATOM 964 OE1 GLU A 63 14.347 -20.526 -1.044 1.00 0.00 O ATOM 965 OE2 GLU A 63 12.184 -20.612 -1.384 1.00 0.00 O ATOM 0 H GLU A 63 10.813 -19.257 3.708 1.00 0.00 H new ATOM 0 HA GLU A 63 13.617 -20.056 3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.005 -18.748 1.217 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.755 -18.725 1.294 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.708 -21.276 1.350 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.980 -21.197 1.070 1.00 0.00 H new ATOM 972 N LEU A 64 14.212 -17.530 3.832 1.00 0.00 N ATOM 973 CA LEU A 64 14.522 -16.199 4.349 1.00 0.00 C ATOM 974 C LEU A 64 14.070 -15.156 3.319 1.00 0.00 C ATOM 975 O LEU A 64 14.410 -15.285 2.139 1.00 0.00 O ATOM 976 CB LEU A 64 16.036 -16.124 4.629 1.00 0.00 C ATOM 977 CG LEU A 64 16.509 -14.860 5.372 1.00 0.00 C ATOM 978 CD1 LEU A 64 15.863 -14.710 6.753 1.00 0.00 C ATOM 979 CD2 LEU A 64 18.029 -14.922 5.565 1.00 0.00 C ATOM 0 H LEU A 64 15.035 -18.049 3.525 1.00 0.00 H new ATOM 0 HA LEU A 64 13.996 -15.997 5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.324 -16.998 5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.567 -16.187 3.679 1.00 0.00 H new ATOM 0 HG LEU A 64 16.215 -14.006 4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.233 -13.803 7.231 1.00 0.00 H new ATOM 0 HD12 LEU A 64 14.780 -14.647 6.643 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.116 -15.573 7.369 1.00 0.00 H new ATOM 0 HD21 LEU A 64 18.366 -14.028 6.091 1.00 0.00 H new ATOM 0 HD22 LEU A 64 18.286 -15.805 6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 64 18.517 -14.976 4.592 1.00 0.00 H new ATOM 991 N LEU A 65 13.323 -14.129 3.747 1.00 0.00 N ATOM 992 CA LEU A 65 12.652 -13.172 2.858 1.00 0.00 C ATOM 993 C LEU A 65 13.602 -12.546 1.848 1.00 0.00 C ATOM 994 O LEU A 65 13.211 -12.377 0.695 1.00 0.00 O ATOM 995 CB LEU A 65 11.935 -12.088 3.691 1.00 0.00 C ATOM 996 CG LEU A 65 11.171 -11.020 2.869 1.00 0.00 C ATOM 997 CD1 LEU A 65 9.980 -10.479 3.674 1.00 0.00 C ATOM 998 CD2 LEU A 65 12.038 -9.800 2.518 1.00 0.00 C ATOM 0 H LEU A 65 13.166 -13.937 4.736 1.00 0.00 H new ATOM 0 HA LEU A 65 11.912 -13.726 2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.231 -12.577 4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 65 12.674 -11.584 4.314 1.00 0.00 H new ATOM 0 HG LEU A 65 10.859 -11.525 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.452 -9.729 3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.300 -11.297 3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.341 -10.026 4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.447 -9.087 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.386 -9.325 3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.896 -10.121 1.927 1.00 0.00 H new ATOM 1010 N TYR A 66 14.828 -12.205 2.261 1.00 0.00 N ATOM 1011 CA TYR A 66 15.768 -11.464 1.424 1.00 0.00 C ATOM 1012 C TYR A 66 16.026 -12.175 0.088 1.00 0.00 C ATOM 1013 O TYR A 66 16.153 -11.510 -0.940 1.00 0.00 O ATOM 1014 CB TYR A 66 17.063 -11.165 2.205 1.00 0.00 C ATOM 1015 CG TYR A 66 18.293 -11.924 1.743 1.00 0.00 C ATOM 1016 CD1 TYR A 66 18.544 -13.220 2.224 1.00 0.00 C ATOM 1017 CD2 TYR A 66 19.152 -11.350 0.788 1.00 0.00 C ATOM 1018 CE1 TYR A 66 19.660 -13.942 1.766 1.00 0.00 C ATOM 1019 CE2 TYR A 66 20.272 -12.063 0.324 1.00 0.00 C ATOM 1020 CZ TYR A 66 20.533 -13.365 0.813 1.00 0.00 C ATOM 1021 OH TYR A 66 21.612 -14.073 0.375 1.00 0.00 O ATOM 0 H TYR A 66 15.193 -12.437 3.185 1.00 0.00 H new ATOM 0 HA TYR A 66 15.318 -10.505 1.165 1.00 0.00 H new ATOM 0 HB2 TYR A 66 17.269 -10.097 2.137 1.00 0.00 H new ATOM 0 HB3 TYR A 66 16.892 -11.390 3.258 1.00 0.00 H new ATOM 0 HD1 TYR A 66 17.877 -13.663 2.948 1.00 0.00 H new ATOM 0 HD2 TYR A 66 18.951 -10.359 0.410 1.00 0.00 H new ATOM 0 HE1 TYR A 66 19.851 -14.937 2.141 1.00 0.00 H new ATOM 0 HE2 TYR A 66 20.932 -11.617 -0.405 1.00 0.00 H new ATOM 0 HH TYR A 66 22.111 -13.539 -0.278 1.00 0.00 H new ATOM 1031 N ASP A 67 16.063 -13.513 0.078 1.00 0.00 N ATOM 1032 CA ASP A 67 16.327 -14.269 -1.143 1.00 0.00 C ATOM 1033 C ASP A 67 15.132 -14.191 -2.093 1.00 0.00 C ATOM 1034 O ASP A 67 15.309 -14.054 -3.302 1.00 0.00 O ATOM 1035 CB ASP A 67 16.634 -15.732 -0.815 1.00 0.00 C ATOM 1036 CG ASP A 67 16.913 -16.518 -2.107 1.00 0.00 C ATOM 1037 OD1 ASP A 67 18.032 -16.405 -2.655 1.00 0.00 O ATOM 1038 OD2 ASP A 67 16.026 -17.267 -2.572 1.00 0.00 O ATOM 0 H ASP A 67 15.913 -14.091 0.905 1.00 0.00 H new ATOM 0 HA ASP A 67 17.195 -13.828 -1.632 1.00 0.00 H new ATOM 0 HB2 ASP A 67 17.497 -15.790 -0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.793 -16.178 -0.284 1.00 0.00 H new ATOM 1043 N VAL A 68 13.916 -14.226 -1.540 1.00 0.00 N ATOM 1044 CA VAL A 68 12.676 -14.152 -2.302 1.00 0.00 C ATOM 1045 C VAL A 68 12.526 -12.731 -2.869 1.00 0.00 C ATOM 1046 O VAL A 68 12.291 -12.557 -4.067 1.00 0.00 O ATOM 1047 CB VAL A 68 11.478 -14.574 -1.412 1.00 0.00 C ATOM 1048 CG1 VAL A 68 10.270 -14.921 -2.291 1.00 0.00 C ATOM 1049 CG2 VAL A 68 11.777 -15.807 -0.537 1.00 0.00 C ATOM 0 H VAL A 68 13.768 -14.308 -0.534 1.00 0.00 H new ATOM 0 HA VAL A 68 12.698 -14.846 -3.142 1.00 0.00 H new ATOM 0 HB VAL A 68 11.277 -13.724 -0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.433 -15.216 -1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.988 -14.050 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.529 -15.744 -2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 68 10.899 -16.050 0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.027 -16.654 -1.176 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.617 -15.590 0.123 1.00 0.00 H new ATOM 1059 N ALA A 69 12.744 -11.708 -2.032 1.00 0.00 N ATOM 1060 CA ALA A 69 12.733 -10.303 -2.423 1.00 0.00 C ATOM 1061 C ALA A 69 13.808 -9.987 -3.468 1.00 0.00 C ATOM 1062 O ALA A 69 13.635 -9.054 -4.253 1.00 0.00 O ATOM 1063 CB ALA A 69 12.937 -9.432 -1.182 1.00 0.00 C ATOM 0 H ALA A 69 12.937 -11.844 -1.040 1.00 0.00 H new ATOM 0 HA ALA A 69 11.767 -10.088 -2.879 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.929 -8.381 -1.470 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.133 -9.619 -0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 69 13.894 -9.675 -0.720 1.00 0.00 H new ATOM 1069 N GLY A 70 14.879 -10.787 -3.516 1.00 0.00 N ATOM 1070 CA GLY A 70 15.924 -10.743 -4.532 1.00 0.00 C ATOM 1071 C GLY A 70 15.396 -10.835 -5.968 1.00 0.00 C ATOM 1072 O GLY A 70 16.141 -10.519 -6.897 1.00 0.00 O ATOM 0 H GLY A 70 15.043 -11.511 -2.817 1.00 0.00 H new ATOM 0 HA2 GLY A 70 16.487 -9.816 -4.421 1.00 0.00 H new ATOM 0 HA3 GLY A 70 16.621 -11.563 -4.358 1.00 0.00 H new ATOM 1076 N SER A 71 14.130 -11.231 -6.162 1.00 0.00 N ATOM 1077 CA SER A 71 13.433 -11.144 -7.437 1.00 0.00 C ATOM 1078 C SER A 71 13.584 -9.753 -8.067 1.00 0.00 C ATOM 1079 O SER A 71 13.936 -9.647 -9.243 1.00 0.00 O ATOM 1080 CB SER A 71 11.950 -11.446 -7.217 1.00 0.00 C ATOM 1081 OG SER A 71 11.732 -12.767 -6.747 1.00 0.00 O ATOM 0 H SER A 71 13.557 -11.628 -5.417 1.00 0.00 H new ATOM 0 HA SER A 71 13.873 -11.871 -8.119 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.540 -10.735 -6.500 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.410 -11.302 -8.153 1.00 0.00 H new ATOM 0 HG SER A 71 11.831 -12.788 -5.772 1.00 0.00 H new ATOM 1087 N ASP A 72 13.349 -8.700 -7.278 1.00 0.00 N ATOM 1088 CA ASP A 72 13.548 -7.300 -7.637 1.00 0.00 C ATOM 1089 C ASP A 72 13.440 -6.430 -6.388 1.00 0.00 C ATOM 1090 O ASP A 72 14.380 -5.711 -6.043 1.00 0.00 O ATOM 1091 CB ASP A 72 12.495 -6.857 -8.661 1.00 0.00 C ATOM 1092 CG ASP A 72 12.594 -5.358 -8.974 1.00 0.00 C ATOM 1093 OD1 ASP A 72 13.682 -4.885 -9.370 1.00 0.00 O ATOM 1094 OD2 ASP A 72 11.564 -4.658 -8.858 1.00 0.00 O ATOM 0 H ASP A 72 12.998 -8.810 -6.327 1.00 0.00 H new ATOM 0 HA ASP A 72 14.539 -7.188 -8.077 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.620 -7.429 -9.581 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.500 -7.083 -8.279 1.00 0.00 H new ATOM 1099 N LYS A 73 12.308 -6.545 -5.691 1.00 0.00 N ATOM 1100 CA LYS A 73 11.980 -5.879 -4.430 1.00 0.00 C ATOM 1101 C LYS A 73 10.746 -6.573 -3.844 1.00 0.00 C ATOM 1102 O LYS A 73 10.268 -7.557 -4.412 1.00 0.00 O ATOM 1103 CB LYS A 73 11.787 -4.361 -4.653 1.00 0.00 C ATOM 1104 CG LYS A 73 10.592 -3.995 -5.548 1.00 0.00 C ATOM 1105 CD LYS A 73 10.539 -2.494 -5.867 1.00 0.00 C ATOM 1106 CE LYS A 73 9.499 -2.196 -6.959 1.00 0.00 C ATOM 1107 NZ LYS A 73 10.017 -2.455 -8.326 1.00 0.00 N ATOM 0 H LYS A 73 11.548 -7.144 -6.013 1.00 0.00 H new ATOM 0 HA LYS A 73 12.795 -5.964 -3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.661 -3.877 -3.684 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.695 -3.953 -5.097 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.652 -4.560 -6.478 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.667 -4.292 -5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.293 -1.936 -4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.522 -2.154 -6.194 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.613 -2.807 -6.788 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.187 -1.154 -6.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.224 -2.672 -8.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.519 -1.612 -8.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.672 -3.262 -8.302 1.00 0.00 H new ATOM 1121 N TYR A 74 10.195 -6.073 -2.739 1.00 0.00 N ATOM 1122 CA TYR A 74 8.988 -6.619 -2.123 1.00 0.00 C ATOM 1123 C TYR A 74 8.212 -5.497 -1.436 1.00 0.00 C ATOM 1124 O TYR A 74 8.748 -4.399 -1.258 1.00 0.00 O ATOM 1125 CB TYR A 74 9.369 -7.718 -1.122 1.00 0.00 C ATOM 1126 CG TYR A 74 9.867 -7.201 0.224 1.00 0.00 C ATOM 1127 CD1 TYR A 74 11.177 -6.705 0.367 1.00 0.00 C ATOM 1128 CD2 TYR A 74 8.986 -7.148 1.324 1.00 0.00 C ATOM 1129 CE1 TYR A 74 11.615 -6.187 1.601 1.00 0.00 C ATOM 1130 CE2 TYR A 74 9.412 -6.633 2.560 1.00 0.00 C ATOM 1131 CZ TYR A 74 10.733 -6.153 2.708 1.00 0.00 C ATOM 1132 OH TYR A 74 11.136 -5.655 3.910 1.00 0.00 O ATOM 0 H TYR A 74 10.578 -5.269 -2.242 1.00 0.00 H new ATOM 0 HA TYR A 74 8.350 -7.060 -2.889 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.501 -8.356 -0.954 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.143 -8.344 -1.566 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.851 -6.722 -0.476 1.00 0.00 H new ATOM 0 HD2 TYR A 74 7.973 -7.507 1.215 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.624 -5.816 1.703 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.730 -6.604 3.397 1.00 0.00 H new ATOM 0 HH TYR A 74 10.397 -5.711 4.552 1.00 0.00 H new ATOM 1142 N GLN A 75 6.968 -5.775 -1.034 1.00 0.00 N ATOM 1143 CA GLN A 75 6.127 -4.853 -0.278 1.00 0.00 C ATOM 1144 C GLN A 75 5.250 -5.658 0.684 1.00 0.00 C ATOM 1145 O GLN A 75 4.935 -6.819 0.414 1.00 0.00 O ATOM 1146 CB GLN A 75 5.214 -4.029 -1.218 1.00 0.00 C ATOM 1147 CG GLN A 75 5.869 -3.512 -2.510 1.00 0.00 C ATOM 1148 CD GLN A 75 5.014 -2.451 -3.191 1.00 0.00 C ATOM 1149 OE1 GLN A 75 5.061 -1.288 -2.815 1.00 0.00 O ATOM 1150 NE2 GLN A 75 4.231 -2.794 -4.197 1.00 0.00 N ATOM 0 H GLN A 75 6.512 -6.666 -1.231 1.00 0.00 H new ATOM 0 HA GLN A 75 6.772 -4.165 0.269 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.356 -4.644 -1.490 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.830 -3.174 -0.662 1.00 0.00 H new ATOM 0 HG2 GLN A 75 6.850 -3.096 -2.279 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.029 -4.345 -3.195 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.195 -3.765 -4.507 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.662 -2.088 -4.664 1.00 0.00 H new ATOM 1159 N VAL A 76 4.828 -5.050 1.794 1.00 0.00 N ATOM 1160 CA VAL A 76 3.762 -5.618 2.614 1.00 0.00 C ATOM 1161 C VAL A 76 2.478 -5.270 1.860 1.00 0.00 C ATOM 1162 O VAL A 76 2.321 -4.132 1.404 1.00 0.00 O ATOM 1163 CB VAL A 76 3.776 -5.027 4.041 1.00 0.00 C ATOM 1164 CG1 VAL A 76 2.630 -5.586 4.901 1.00 0.00 C ATOM 1165 CG2 VAL A 76 5.101 -5.342 4.749 1.00 0.00 C ATOM 0 H VAL A 76 5.207 -4.169 2.143 1.00 0.00 H new ATOM 0 HA VAL A 76 3.870 -6.693 2.755 1.00 0.00 H new ATOM 0 HB VAL A 76 3.653 -3.950 3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.675 -5.146 5.897 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.674 -5.340 4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.728 -6.669 4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.088 -4.916 5.752 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.230 -6.422 4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.927 -4.912 4.183 1.00 0.00 H new ATOM 1175 N ASN A 77 1.560 -6.224 1.718 1.00 0.00 N ATOM 1176 CA ASN A 77 0.281 -5.991 1.052 1.00 0.00 C ATOM 1177 C ASN A 77 -0.785 -6.859 1.707 1.00 0.00 C ATOM 1178 O ASN A 77 -1.234 -7.854 1.140 1.00 0.00 O ATOM 1179 CB ASN A 77 0.377 -6.205 -0.470 1.00 0.00 C ATOM 1180 CG ASN A 77 -0.912 -5.800 -1.195 1.00 0.00 C ATOM 1181 OD1 ASN A 77 -1.924 -5.440 -0.597 1.00 0.00 O ATOM 1182 ND2 ASN A 77 -0.895 -5.809 -2.515 1.00 0.00 N ATOM 0 H ASN A 77 1.681 -7.177 2.060 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.005 -4.946 1.175 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.211 -5.625 -0.865 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.593 -7.254 -0.675 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.721 -5.517 -3.038 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.056 -6.107 -3.012 1.00 0.00 H new ATOM 1189 N ASN A 78 -1.138 -6.517 2.951 1.00 0.00 N ATOM 1190 CA ASN A 78 -2.295 -7.104 3.623 1.00 0.00 C ATOM 1191 C ASN A 78 -3.535 -6.695 2.822 1.00 0.00 C ATOM 1192 O ASN A 78 -3.966 -5.543 2.877 1.00 0.00 O ATOM 1193 CB ASN A 78 -2.399 -6.649 5.083 1.00 0.00 C ATOM 1194 CG ASN A 78 -1.403 -7.327 6.014 1.00 0.00 C ATOM 1195 OD1 ASN A 78 -1.149 -8.525 5.922 1.00 0.00 O ATOM 1196 ND2 ASN A 78 -0.855 -6.594 6.964 1.00 0.00 N ATOM 0 H ASN A 78 -0.633 -5.832 3.513 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.199 -8.189 3.657 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.248 -5.571 5.129 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.409 -6.845 5.443 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.213 -7.021 7.632 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.073 -5.600 7.031 1.00 0.00 H new ATOM 1203 N LYS A 79 -4.079 -7.648 2.060 1.00 0.00 N ATOM 1204 CA LYS A 79 -5.092 -7.415 1.031 1.00 0.00 C ATOM 1205 C LYS A 79 -6.328 -6.659 1.537 1.00 0.00 C ATOM 1206 O LYS A 79 -6.717 -5.667 0.920 1.00 0.00 O ATOM 1207 CB LYS A 79 -5.452 -8.772 0.398 1.00 0.00 C ATOM 1208 CG LYS A 79 -6.235 -8.673 -0.917 1.00 0.00 C ATOM 1209 CD LYS A 79 -5.390 -8.218 -2.115 1.00 0.00 C ATOM 1210 CE LYS A 79 -6.290 -8.096 -3.351 1.00 0.00 C ATOM 1211 NZ LYS A 79 -6.605 -9.402 -3.983 1.00 0.00 N ATOM 0 H LYS A 79 -3.818 -8.630 2.146 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.672 -6.750 0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.533 -9.330 0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.039 -9.348 1.113 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.671 -9.646 -1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.062 -7.976 -0.784 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.917 -7.260 -1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.589 -8.933 -2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.221 -7.605 -3.067 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.802 -7.454 -4.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.403 -9.286 -4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.773 -9.745 -4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.860 -10.091 -3.247 1.00 0.00 H new ATOM 1225 N HIS A 80 -6.949 -7.103 2.634 1.00 0.00 N ATOM 1226 CA HIS A 80 -8.180 -6.524 3.180 1.00 0.00 C ATOM 1227 C HIS A 80 -8.224 -6.650 4.703 1.00 0.00 C ATOM 1228 O HIS A 80 -9.285 -6.809 5.303 1.00 0.00 O ATOM 1229 CB HIS A 80 -9.426 -7.112 2.504 1.00 0.00 C ATOM 1230 CG HIS A 80 -9.424 -8.616 2.361 1.00 0.00 C ATOM 1231 ND1 HIS A 80 -9.774 -9.548 3.342 1.00 0.00 N ATOM 1232 CD2 HIS A 80 -9.026 -9.282 1.240 1.00 0.00 C ATOM 1233 CE1 HIS A 80 -9.558 -10.753 2.783 1.00 0.00 C ATOM 1234 NE2 HIS A 80 -9.105 -10.622 1.523 1.00 0.00 N ATOM 0 H HIS A 80 -6.602 -7.892 3.179 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.179 -5.458 2.953 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -10.305 -6.818 3.077 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.528 -6.668 1.514 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.709 -8.839 0.307 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.726 -11.698 3.279 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -8.863 -11.384 0.890 1.00 0.00 H new ATOM 1242 N ASP A 81 -7.073 -6.457 5.346 1.00 0.00 N ATOM 1243 CA ASP A 81 -6.932 -6.318 6.800 1.00 0.00 C ATOM 1244 C ASP A 81 -7.827 -5.214 7.394 1.00 0.00 C ATOM 1245 O ASP A 81 -8.045 -5.172 8.606 1.00 0.00 O ATOM 1246 CB ASP A 81 -5.454 -6.066 7.105 1.00 0.00 C ATOM 1247 CG ASP A 81 -5.182 -5.659 8.563 1.00 0.00 C ATOM 1248 OD1 ASP A 81 -5.074 -6.556 9.429 1.00 0.00 O ATOM 1249 OD2 ASP A 81 -4.982 -4.451 8.828 1.00 0.00 O ATOM 0 H ASP A 81 -6.181 -6.390 4.855 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.270 -7.239 7.275 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.887 -6.968 6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.085 -5.282 6.444 1.00 0.00 H new ATOM 1254 N ASP A 82 -8.385 -4.334 6.552 1.00 0.00 N ATOM 1255 CA ASP A 82 -9.293 -3.275 6.998 1.00 0.00 C ATOM 1256 C ASP A 82 -10.720 -3.808 7.124 1.00 0.00 C ATOM 1257 O ASP A 82 -11.495 -3.315 7.944 1.00 0.00 O ATOM 1258 CB ASP A 82 -9.268 -2.090 6.023 1.00 0.00 C ATOM 1259 CG ASP A 82 -10.217 -0.970 6.490 1.00 0.00 C ATOM 1260 OD1 ASP A 82 -9.846 -0.211 7.414 1.00 0.00 O ATOM 1261 OD2 ASP A 82 -11.322 -0.825 5.918 1.00 0.00 O ATOM 0 H ASP A 82 -8.219 -4.338 5.546 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.954 -2.933 7.976 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.253 -1.701 5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.559 -2.427 5.028 1.00 0.00 H new ATOM 1266 N LYS A 83 -11.066 -4.829 6.329 1.00 0.00 N ATOM 1267 CA LYS A 83 -12.407 -5.399 6.309 1.00 0.00 C ATOM 1268 C LYS A 83 -12.473 -6.646 7.186 1.00 0.00 C ATOM 1269 O LYS A 83 -13.510 -6.876 7.810 1.00 0.00 O ATOM 1270 CB LYS A 83 -12.859 -5.755 4.876 1.00 0.00 C ATOM 1271 CG LYS A 83 -12.553 -4.791 3.714 1.00 0.00 C ATOM 1272 CD LYS A 83 -12.678 -3.282 3.956 1.00 0.00 C ATOM 1273 CE LYS A 83 -13.963 -2.820 4.651 1.00 0.00 C ATOM 1274 NZ LYS A 83 -13.900 -1.370 4.953 1.00 0.00 N ATOM 0 H LYS A 83 -10.418 -5.279 5.683 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.083 -4.639 6.702 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.414 -6.718 4.625 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.939 -5.900 4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.534 -4.989 3.380 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -13.215 -5.049 2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.827 -2.958 4.555 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.604 -2.772 2.995 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.822 -3.027 4.013 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.107 -3.383 5.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.539 -1.152 5.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.927 -1.111 5.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.190 -0.828 4.114 1.00 0.00 H new ATOM 1288 N TYR A 84 -11.393 -7.432 7.255 1.00 0.00 N ATOM 1289 CA TYR A 84 -11.402 -8.756 7.875 1.00 0.00 C ATOM 1290 C TYR A 84 -10.055 -9.095 8.503 1.00 0.00 C ATOM 1291 O TYR A 84 -9.023 -8.572 8.090 1.00 0.00 O ATOM 1292 CB TYR A 84 -11.714 -9.822 6.808 1.00 0.00 C ATOM 1293 CG TYR A 84 -13.093 -9.708 6.190 1.00 0.00 C ATOM 1294 CD1 TYR A 84 -14.230 -10.020 6.957 1.00 0.00 C ATOM 1295 CD2 TYR A 84 -13.239 -9.249 4.867 1.00 0.00 C ATOM 1296 CE1 TYR A 84 -15.515 -9.855 6.411 1.00 0.00 C ATOM 1297 CE2 TYR A 84 -14.521 -9.059 4.321 1.00 0.00 C ATOM 1298 CZ TYR A 84 -15.667 -9.365 5.092 1.00 0.00 C ATOM 1299 OH TYR A 84 -16.919 -9.191 4.580 1.00 0.00 O ATOM 0 H TYR A 84 -10.484 -7.163 6.879 1.00 0.00 H new ATOM 0 HA TYR A 84 -12.163 -8.746 8.655 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.968 -9.754 6.016 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -11.612 -10.809 7.258 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -14.116 -10.387 7.966 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -12.363 -9.042 4.269 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -16.387 -10.102 6.999 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -14.630 -8.680 3.315 1.00 0.00 H new ATOM 0 HH TYR A 84 -16.853 -8.847 3.665 1.00 0.00 H new ATOM 1309 N SER A 85 -10.087 -10.013 9.473 1.00 0.00 N ATOM 1310 CA SER A 85 -8.963 -10.721 10.098 1.00 0.00 C ATOM 1311 C SER A 85 -9.550 -11.700 11.132 1.00 0.00 C ATOM 1312 O SER A 85 -9.480 -11.444 12.335 1.00 0.00 O ATOM 1313 CB SER A 85 -7.918 -9.788 10.730 1.00 0.00 C ATOM 1314 OG SER A 85 -7.095 -9.228 9.726 1.00 0.00 O ATOM 0 H SER A 85 -10.977 -10.306 9.877 1.00 0.00 H new ATOM 0 HA SER A 85 -8.413 -11.256 9.324 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.417 -8.995 11.286 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.308 -10.343 11.443 1.00 0.00 H new ATOM 0 HG SER A 85 -7.590 -9.188 8.881 1.00 0.00 H new ATOM 1320 N PRO A 86 -10.181 -12.806 10.688 1.00 0.00 N ATOM 1321 CA PRO A 86 -10.760 -13.800 11.591 1.00 0.00 C ATOM 1322 C PRO A 86 -9.708 -14.579 12.395 1.00 0.00 C ATOM 1323 O PRO A 86 -10.054 -15.257 13.364 1.00 0.00 O ATOM 1324 CB PRO A 86 -11.561 -14.747 10.696 1.00 0.00 C ATOM 1325 CG PRO A 86 -10.881 -14.636 9.336 1.00 0.00 C ATOM 1326 CD PRO A 86 -10.399 -13.190 9.298 1.00 0.00 C ATOM 0 HA PRO A 86 -11.376 -13.306 12.342 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.535 -15.769 11.073 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.609 -14.454 10.643 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.053 -15.338 9.243 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.574 -14.850 8.522 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.480 -13.099 8.719 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.139 -12.544 8.825 1.00 0.00 H new ATOM 1334 N LEU A 87 -8.436 -14.499 11.994 1.00 0.00 N ATOM 1335 CA LEU A 87 -7.333 -15.263 12.562 1.00 0.00 C ATOM 1336 C LEU A 87 -6.304 -14.281 13.131 1.00 0.00 C ATOM 1337 O LEU A 87 -5.811 -13.440 12.374 1.00 0.00 O ATOM 1338 CB LEU A 87 -6.686 -16.136 11.470 1.00 0.00 C ATOM 1339 CG LEU A 87 -7.587 -17.252 10.908 1.00 0.00 C ATOM 1340 CD1 LEU A 87 -6.853 -17.967 9.771 1.00 0.00 C ATOM 1341 CD2 LEU A 87 -7.986 -18.278 11.976 1.00 0.00 C ATOM 0 H LEU A 87 -8.141 -13.879 11.240 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.698 -15.916 13.355 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.376 -15.492 10.647 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.783 -16.590 11.877 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.502 -16.784 10.546 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.487 -18.758 9.370 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.621 -17.252 8.981 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.928 -18.401 10.151 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.620 -19.042 11.527 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.090 -18.745 12.385 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.532 -17.777 12.776 1.00 0.00 H new ATOM 1353 N PRO A 88 -5.984 -14.343 14.438 1.00 0.00 N ATOM 1354 CA PRO A 88 -4.855 -13.626 15.021 1.00 0.00 C ATOM 1355 C PRO A 88 -3.544 -13.969 14.308 1.00 0.00 C ATOM 1356 O PRO A 88 -3.417 -15.046 13.715 1.00 0.00 O ATOM 1357 CB PRO A 88 -4.800 -14.057 16.490 1.00 0.00 C ATOM 1358 CG PRO A 88 -6.233 -14.482 16.799 1.00 0.00 C ATOM 1359 CD PRO A 88 -6.716 -15.060 15.471 1.00 0.00 C ATOM 0 HA PRO A 88 -4.983 -12.548 14.920 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.098 -14.877 16.640 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.477 -13.240 17.135 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.271 -15.222 17.598 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.844 -13.638 17.117 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.521 -16.131 15.417 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.791 -14.925 15.354 1.00 0.00 H new ATOM 1367 N CYS A 89 -2.535 -13.101 14.448 1.00 0.00 N ATOM 1368 CA CYS A 89 -1.197 -13.319 13.901 1.00 0.00 C ATOM 1369 C CYS A 89 -0.662 -14.701 14.278 1.00 0.00 C ATOM 1370 O CYS A 89 -0.221 -15.440 13.402 1.00 0.00 O ATOM 1371 CB CYS A 89 -0.251 -12.189 14.340 1.00 0.00 C ATOM 1372 SG CYS A 89 -0.376 -11.838 16.123 1.00 0.00 S ATOM 0 H CYS A 89 -2.629 -12.218 14.951 1.00 0.00 H new ATOM 0 HA CYS A 89 -1.257 -13.295 12.813 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.776 -12.462 14.097 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.482 -11.285 13.777 1.00 0.00 H new ATOM 0 HG CYS A 89 0.445 -10.880 16.435 1.00 0.00 H new ATOM 1378 N SER A 90 -0.784 -15.094 15.546 1.00 0.00 N ATOM 1379 CA SER A 90 -0.334 -16.393 16.028 1.00 0.00 C ATOM 1380 C SER A 90 -0.943 -17.541 15.218 1.00 0.00 C ATOM 1381 O SER A 90 -0.229 -18.449 14.805 1.00 0.00 O ATOM 1382 CB SER A 90 -0.675 -16.518 17.520 1.00 0.00 C ATOM 1383 OG SER A 90 -0.338 -15.328 18.223 1.00 0.00 O ATOM 0 H SER A 90 -1.202 -14.512 16.271 1.00 0.00 H new ATOM 0 HA SER A 90 0.746 -16.463 15.898 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.739 -16.725 17.637 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.137 -17.363 17.950 1.00 0.00 H new ATOM 0 HG SER A 90 -0.566 -15.432 19.170 1.00 0.00 H new ATOM 1389 N LYS A 91 -2.246 -17.488 14.933 1.00 0.00 N ATOM 1390 CA LYS A 91 -2.950 -18.538 14.202 1.00 0.00 C ATOM 1391 C LYS A 91 -2.569 -18.533 12.722 1.00 0.00 C ATOM 1392 O LYS A 91 -2.450 -19.607 12.134 1.00 0.00 O ATOM 1393 CB LYS A 91 -4.471 -18.406 14.374 1.00 0.00 C ATOM 1394 CG LYS A 91 -4.968 -18.439 15.832 1.00 0.00 C ATOM 1395 CD LYS A 91 -4.571 -19.710 16.598 1.00 0.00 C ATOM 1396 CE LYS A 91 -5.222 -19.703 17.989 1.00 0.00 C ATOM 1397 NZ LYS A 91 -4.891 -20.918 18.776 1.00 0.00 N ATOM 0 H LYS A 91 -2.845 -16.708 15.206 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.644 -19.495 14.624 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.793 -17.470 13.918 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.955 -19.212 13.823 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.573 -17.571 16.360 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.054 -18.348 15.837 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.886 -20.594 16.043 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.487 -19.764 16.694 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.894 -18.819 18.536 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.304 -19.628 17.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.353 -20.866 19.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.227 -21.762 18.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.861 -20.978 18.905 1.00 0.00 H new ATOM 1411 N ILE A 92 -2.337 -17.362 12.123 1.00 0.00 N ATOM 1412 CA ILE A 92 -1.861 -17.257 10.742 1.00 0.00 C ATOM 1413 C ILE A 92 -0.510 -17.979 10.635 1.00 0.00 C ATOM 1414 O ILE A 92 -0.324 -18.831 9.763 1.00 0.00 O ATOM 1415 CB ILE A 92 -1.772 -15.767 10.323 1.00 0.00 C ATOM 1416 CG1 ILE A 92 -3.169 -15.105 10.288 1.00 0.00 C ATOM 1417 CG2 ILE A 92 -1.098 -15.619 8.946 1.00 0.00 C ATOM 1418 CD1 ILE A 92 -3.111 -13.577 10.411 1.00 0.00 C ATOM 0 H ILE A 92 -2.474 -16.461 12.581 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.559 -17.735 10.055 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.165 -15.260 11.073 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.668 -15.370 9.356 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.776 -15.507 11.100 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.049 -14.564 8.677 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.089 -16.030 8.988 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.678 -16.158 8.197 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.122 -13.171 10.380 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.640 -13.306 11.356 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.530 -13.167 9.585 1.00 0.00 H new ATOM 1430 N ILE A 93 0.421 -17.671 11.544 1.00 0.00 N ATOM 1431 CA ILE A 93 1.761 -18.249 11.565 1.00 0.00 C ATOM 1432 C ILE A 93 1.638 -19.747 11.809 1.00 0.00 C ATOM 1433 O ILE A 93 2.252 -20.533 11.099 1.00 0.00 O ATOM 1434 CB ILE A 93 2.612 -17.568 12.660 1.00 0.00 C ATOM 1435 CG1 ILE A 93 2.746 -16.066 12.360 1.00 0.00 C ATOM 1436 CG2 ILE A 93 4.008 -18.197 12.773 1.00 0.00 C ATOM 1437 CD1 ILE A 93 3.243 -15.257 13.560 1.00 0.00 C ATOM 0 H ILE A 93 0.258 -17.002 12.296 1.00 0.00 H new ATOM 0 HA ILE A 93 2.261 -18.085 10.611 1.00 0.00 H new ATOM 0 HB ILE A 93 2.101 -17.713 13.612 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.434 -15.928 11.526 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.778 -15.677 12.043 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.574 -17.689 13.554 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.912 -19.254 13.023 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.531 -18.096 11.822 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.316 -14.205 13.284 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.543 -15.367 14.388 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.224 -15.622 13.864 1.00 0.00 H new ATOM 1449 N GLN A 94 0.816 -20.141 12.779 1.00 0.00 N ATOM 1450 CA GLN A 94 0.580 -21.544 13.112 1.00 0.00 C ATOM 1451 C GLN A 94 0.150 -22.320 11.868 1.00 0.00 C ATOM 1452 O GLN A 94 0.650 -23.418 11.626 1.00 0.00 O ATOM 1453 CB GLN A 94 -0.493 -21.664 14.210 1.00 0.00 C ATOM 1454 CG GLN A 94 0.031 -21.398 15.629 1.00 0.00 C ATOM 1455 CD GLN A 94 0.452 -22.679 16.359 1.00 0.00 C ATOM 1456 OE1 GLN A 94 -0.047 -22.985 17.439 1.00 0.00 O ATOM 1457 NE2 GLN A 94 1.358 -23.468 15.798 1.00 0.00 N ATOM 0 H GLN A 94 0.290 -19.489 13.361 1.00 0.00 H new ATOM 0 HA GLN A 94 1.510 -21.971 13.487 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.299 -20.962 13.994 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -0.924 -22.665 14.175 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.883 -20.720 15.575 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.742 -20.893 16.208 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.771 -23.213 14.901 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.641 -24.330 16.263 1.00 0.00 H new ATOM 1466 N ARG A 95 -0.743 -21.741 11.060 1.00 0.00 N ATOM 1467 CA ARG A 95 -1.179 -22.383 9.828 1.00 0.00 C ATOM 1468 C ARG A 95 -0.003 -22.497 8.864 1.00 0.00 C ATOM 1469 O ARG A 95 0.284 -23.594 8.396 1.00 0.00 O ATOM 1470 CB ARG A 95 -2.364 -21.616 9.212 1.00 0.00 C ATOM 1471 CG ARG A 95 -3.292 -22.520 8.383 1.00 0.00 C ATOM 1472 CD ARG A 95 -4.408 -23.192 9.204 1.00 0.00 C ATOM 1473 NE ARG A 95 -3.905 -24.172 10.186 1.00 0.00 N ATOM 1474 CZ ARG A 95 -3.819 -24.023 11.515 1.00 0.00 C ATOM 1475 NH1 ARG A 95 -4.147 -22.872 12.102 1.00 0.00 N ATOM 1476 NH2 ARG A 95 -3.387 -25.035 12.256 1.00 0.00 N ATOM 0 H ARG A 95 -1.173 -20.834 11.240 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.531 -23.392 10.045 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.940 -21.145 10.009 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.983 -20.815 8.578 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.746 -21.927 7.589 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -2.694 -23.293 7.901 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -4.977 -22.423 9.728 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -5.098 -23.692 8.524 1.00 0.00 H new ATOM 0 HE ARG A 95 -3.586 -25.065 9.810 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -4.470 -22.086 11.538 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.075 -22.777 13.115 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.124 -25.916 11.813 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.318 -24.933 13.268 1.00 0.00 H new ATOM 1490 N ALA A 96 0.715 -21.403 8.608 1.00 0.00 N ATOM 1491 CA ALA A 96 1.867 -21.401 7.715 1.00 0.00 C ATOM 1492 C ALA A 96 2.875 -22.486 8.108 1.00 0.00 C ATOM 1493 O ALA A 96 3.340 -23.243 7.259 1.00 0.00 O ATOM 1494 CB ALA A 96 2.512 -20.012 7.726 1.00 0.00 C ATOM 0 H ALA A 96 0.511 -20.491 9.017 1.00 0.00 H new ATOM 0 HA ALA A 96 1.534 -21.629 6.703 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.374 -20.006 7.059 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.787 -19.271 7.388 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.834 -19.769 8.738 1.00 0.00 H new ATOM 1500 N GLU A 97 3.163 -22.594 9.403 1.00 0.00 N ATOM 1501 CA GLU A 97 4.126 -23.523 9.974 1.00 0.00 C ATOM 1502 C GLU A 97 3.666 -24.979 9.851 1.00 0.00 C ATOM 1503 O GLU A 97 4.504 -25.873 9.737 1.00 0.00 O ATOM 1504 CB GLU A 97 4.355 -23.167 11.454 1.00 0.00 C ATOM 1505 CG GLU A 97 5.118 -21.848 11.658 1.00 0.00 C ATOM 1506 CD GLU A 97 6.625 -22.004 11.417 1.00 0.00 C ATOM 1507 OE1 GLU A 97 7.358 -22.419 12.342 1.00 0.00 O ATOM 1508 OE2 GLU A 97 7.105 -21.683 10.307 1.00 0.00 O ATOM 0 H GLU A 97 2.712 -22.012 10.109 1.00 0.00 H new ATOM 0 HA GLU A 97 5.057 -23.431 9.415 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.390 -23.101 11.957 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.909 -23.975 11.932 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.720 -21.092 10.981 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.950 -21.487 12.673 1.00 0.00 H new ATOM 1515 N GLU A 98 2.355 -25.240 9.852 1.00 0.00 N ATOM 1516 CA GLU A 98 1.789 -26.565 9.695 1.00 0.00 C ATOM 1517 C GLU A 98 1.937 -27.007 8.232 1.00 0.00 C ATOM 1518 O GLU A 98 2.037 -28.200 7.936 1.00 0.00 O ATOM 1519 CB GLU A 98 0.325 -26.479 10.182 1.00 0.00 C ATOM 1520 CG GLU A 98 -0.666 -27.423 9.504 1.00 0.00 C ATOM 1521 CD GLU A 98 -2.096 -27.148 9.994 1.00 0.00 C ATOM 1522 OE1 GLU A 98 -2.412 -27.409 11.176 1.00 0.00 O ATOM 1523 OE2 GLU A 98 -2.917 -26.611 9.219 1.00 0.00 O ATOM 0 H GLU A 98 1.649 -24.512 9.965 1.00 0.00 H new ATOM 0 HA GLU A 98 2.302 -27.325 10.285 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.308 -26.676 11.254 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.024 -25.456 10.040 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.616 -27.296 8.423 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.395 -28.457 9.717 1.00 0.00 H new ATOM 1530 N LEU A 99 1.957 -26.040 7.314 1.00 0.00 N ATOM 1531 CA LEU A 99 1.859 -26.277 5.885 1.00 0.00 C ATOM 1532 C LEU A 99 3.222 -26.410 5.213 1.00 0.00 C ATOM 1533 O LEU A 99 3.261 -26.895 4.086 1.00 0.00 O ATOM 1534 CB LEU A 99 1.033 -25.148 5.252 1.00 0.00 C ATOM 1535 CG LEU A 99 -0.432 -25.142 5.739 1.00 0.00 C ATOM 1536 CD1 LEU A 99 -1.070 -23.799 5.388 1.00 0.00 C ATOM 1537 CD2 LEU A 99 -1.257 -26.262 5.093 1.00 0.00 C ATOM 0 H LEU A 99 2.044 -25.053 7.554 1.00 0.00 H new ATOM 0 HA LEU A 99 1.360 -27.234 5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.494 -24.189 5.487 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.051 -25.253 4.167 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.425 -25.304 6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.105 -23.788 5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.518 -22.995 5.876 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.042 -23.654 4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.281 -26.220 5.464 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.258 -26.135 4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.819 -27.228 5.345 1.00 0.00 H new ATOM 1549 N VAL A 100 4.333 -26.024 5.850 1.00 0.00 N ATOM 1550 CA VAL A 100 5.660 -26.182 5.251 1.00 0.00 C ATOM 1551 C VAL A 100 5.870 -27.656 4.874 1.00 0.00 C ATOM 1552 O VAL A 100 5.702 -28.551 5.707 1.00 0.00 O ATOM 1553 CB VAL A 100 6.776 -25.658 6.183 1.00 0.00 C ATOM 1554 CG1 VAL A 100 8.119 -25.588 5.437 1.00 0.00 C ATOM 1555 CG2 VAL A 100 6.464 -24.259 6.731 1.00 0.00 C ATOM 0 H VAL A 100 4.338 -25.601 6.778 1.00 0.00 H new ATOM 0 HA VAL A 100 5.716 -25.577 4.346 1.00 0.00 H new ATOM 0 HB VAL A 100 6.835 -26.361 7.014 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.891 -25.217 6.111 1.00 0.00 H new ATOM 0 HG12 VAL A 100 8.392 -26.583 5.085 1.00 0.00 H new ATOM 0 HG13 VAL A 100 8.027 -24.915 4.585 1.00 0.00 H new ATOM 0 HG21 VAL A 100 7.276 -23.933 7.380 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.359 -23.559 5.902 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.535 -24.290 7.300 1.00 0.00 H new ATOM 1565 N GLY A 101 6.228 -27.905 3.611 1.00 0.00 N ATOM 1566 CA GLY A 101 6.480 -29.230 3.069 1.00 0.00 C ATOM 1567 C GLY A 101 5.215 -29.936 2.572 1.00 0.00 C ATOM 1568 O GLY A 101 5.329 -31.059 2.075 1.00 0.00 O ATOM 0 H GLY A 101 6.352 -27.163 2.922 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.189 -29.148 2.245 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.952 -29.844 3.836 1.00 0.00 H new ATOM 1572 N GLN A 102 4.027 -29.327 2.689 1.00 0.00 N ATOM 1573 CA GLN A 102 2.806 -29.892 2.124 1.00 0.00 C ATOM 1574 C GLN A 102 2.712 -29.518 0.650 1.00 0.00 C ATOM 1575 O GLN A 102 3.336 -28.559 0.187 1.00 0.00 O ATOM 1576 CB GLN A 102 1.550 -29.454 2.900 1.00 0.00 C ATOM 1577 CG GLN A 102 1.512 -30.144 4.269 1.00 0.00 C ATOM 1578 CD GLN A 102 0.173 -29.983 4.997 1.00 0.00 C ATOM 1579 OE1 GLN A 102 -0.891 -30.251 4.443 1.00 0.00 O ATOM 1580 NE2 GLN A 102 0.174 -29.572 6.256 1.00 0.00 N ATOM 0 H GLN A 102 3.891 -28.439 3.173 1.00 0.00 H new ATOM 0 HA GLN A 102 2.854 -30.977 2.214 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.551 -28.372 3.029 1.00 0.00 H new ATOM 0 HB3 GLN A 102 0.655 -29.706 2.331 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.720 -31.206 4.138 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.308 -29.738 4.894 1.00 0.00 H new ATOM 0 HE21 GLN A 102 1.055 -29.349 6.719 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.706 -29.479 6.763 1.00 0.00 H new ATOM 1589 N GLU A 103 1.908 -30.278 -0.084 1.00 0.00 N ATOM 1590 CA GLU A 103 1.793 -30.162 -1.530 1.00 0.00 C ATOM 1591 C GLU A 103 0.427 -29.597 -1.894 1.00 0.00 C ATOM 1592 O GLU A 103 -0.555 -29.798 -1.170 1.00 0.00 O ATOM 1593 CB GLU A 103 1.991 -31.523 -2.228 1.00 0.00 C ATOM 1594 CG GLU A 103 3.109 -32.423 -1.679 1.00 0.00 C ATOM 1595 CD GLU A 103 3.294 -33.684 -2.544 1.00 0.00 C ATOM 1596 OE1 GLU A 103 3.554 -33.566 -3.764 1.00 0.00 O ATOM 1597 OE2 GLU A 103 3.186 -34.811 -2.007 1.00 0.00 O ATOM 0 H GLU A 103 1.310 -31.002 0.315 1.00 0.00 H new ATOM 0 HA GLU A 103 2.578 -29.489 -1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 103 1.052 -32.074 -2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.190 -31.338 -3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.044 -31.864 -1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.874 -32.714 -0.655 1.00 0.00 H new ATOM 1604 N VAL A 104 0.352 -28.953 -3.056 1.00 0.00 N ATOM 1605 CA VAL A 104 -0.877 -28.534 -3.688 1.00 0.00 C ATOM 1606 C VAL A 104 -0.809 -28.945 -5.156 1.00 0.00 C ATOM 1607 O VAL A 104 0.253 -28.919 -5.773 1.00 0.00 O ATOM 1608 CB VAL A 104 -1.072 -27.020 -3.529 1.00 0.00 C ATOM 1609 CG1 VAL A 104 -1.374 -26.626 -2.075 1.00 0.00 C ATOM 1610 CG2 VAL A 104 0.096 -26.174 -4.050 1.00 0.00 C ATOM 0 H VAL A 104 1.181 -28.704 -3.596 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.736 -29.011 -3.217 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.935 -26.798 -4.156 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.504 -25.546 -2.010 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.287 -27.122 -1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.545 -26.930 -1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.124 -25.117 -3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.005 -26.436 -3.509 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.239 -26.366 -5.113 1.00 0.00 H new ATOM 1620 N LEU A 105 -1.946 -29.322 -5.735 1.00 0.00 N ATOM 1621 CA LEU A 105 -1.999 -29.901 -7.074 1.00 0.00 C ATOM 1622 C LEU A 105 -2.115 -28.828 -8.165 1.00 0.00 C ATOM 1623 O LEU A 105 -2.457 -29.135 -9.308 1.00 0.00 O ATOM 1624 CB LEU A 105 -3.198 -30.863 -7.097 1.00 0.00 C ATOM 1625 CG LEU A 105 -3.129 -31.992 -8.144 1.00 0.00 C ATOM 1626 CD1 LEU A 105 -1.938 -32.923 -7.884 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -4.427 -32.803 -8.069 1.00 0.00 C ATOM 0 H LEU A 105 -2.858 -29.234 -5.288 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.072 -30.433 -7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.298 -31.314 -6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.103 -30.282 -7.275 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.002 -31.548 -9.131 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.918 -33.708 -8.640 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.012 -32.351 -7.931 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.037 -33.373 -6.896 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.396 -33.608 -8.804 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.534 -33.227 -7.071 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.276 -32.152 -8.279 1.00 0.00 H new ATOM 1639 N TYR A 106 -1.860 -27.570 -7.812 1.00 0.00 N ATOM 1640 CA TYR A 106 -1.918 -26.422 -8.704 1.00 0.00 C ATOM 1641 C TYR A 106 -0.564 -25.710 -8.737 1.00 0.00 C ATOM 1642 O TYR A 106 0.267 -25.867 -7.842 1.00 0.00 O ATOM 1643 CB TYR A 106 -3.084 -25.507 -8.305 1.00 0.00 C ATOM 1644 CG TYR A 106 -3.055 -24.967 -6.883 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -2.101 -24.002 -6.503 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -4.008 -25.413 -5.947 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -2.107 -23.478 -5.196 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -4.024 -24.888 -4.642 1.00 0.00 C ATOM 1649 CZ TYR A 106 -3.073 -23.914 -4.262 1.00 0.00 C ATOM 1650 OH TYR A 106 -3.082 -23.391 -3.004 1.00 0.00 O ATOM 0 H TYR A 106 -1.598 -27.316 -6.860 1.00 0.00 H new ATOM 0 HA TYR A 106 -2.116 -26.749 -9.725 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -3.107 -24.662 -8.993 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.015 -26.057 -8.444 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.364 -23.664 -7.216 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.731 -26.163 -6.233 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.372 -22.741 -4.907 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.762 -25.229 -3.931 1.00 0.00 H new ATOM 0 HH TYR A 106 -3.809 -23.796 -2.487 1.00 0.00 H new ATOM 1660 N LYS A 107 -0.352 -24.930 -9.796 1.00 0.00 N ATOM 1661 CA LYS A 107 0.919 -24.363 -10.194 1.00 0.00 C ATOM 1662 C LYS A 107 1.221 -23.023 -9.532 1.00 0.00 C ATOM 1663 O LYS A 107 0.350 -22.404 -8.919 1.00 0.00 O ATOM 1664 CB LYS A 107 0.831 -24.200 -11.722 1.00 0.00 C ATOM 1665 CG LYS A 107 2.120 -24.646 -12.407 1.00 0.00 C ATOM 1666 CD LYS A 107 2.033 -24.392 -13.921 1.00 0.00 C ATOM 1667 CE LYS A 107 3.427 -24.462 -14.553 1.00 0.00 C ATOM 1668 NZ LYS A 107 3.383 -24.318 -16.030 1.00 0.00 N ATOM 0 H LYS A 107 -1.108 -24.667 -10.428 1.00 0.00 H new ATOM 0 HA LYS A 107 1.733 -25.017 -9.881 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -0.006 -24.784 -12.104 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.630 -23.157 -11.967 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.969 -24.105 -11.988 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.293 -25.705 -12.218 1.00 0.00 H new ATOM 0 HD2 LYS A 107 1.379 -25.131 -14.384 1.00 0.00 H new ATOM 0 HD3 LYS A 107 1.590 -23.414 -14.108 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.054 -23.676 -14.132 1.00 0.00 H new ATOM 0 HE3 LYS A 107 3.893 -25.414 -14.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 4.348 -24.372 -16.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 2.806 -25.082 -16.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 2.963 -23.399 -16.277 1.00 0.00 H new ATOM 1682 N LEU A 108 2.441 -22.537 -9.756 1.00 0.00 N ATOM 1683 CA LEU A 108 2.994 -21.283 -9.245 1.00 0.00 C ATOM 1684 C LEU A 108 2.514 -20.062 -10.042 1.00 0.00 C ATOM 1685 O LEU A 108 3.325 -19.201 -10.395 1.00 0.00 O ATOM 1686 CB LEU A 108 4.537 -21.360 -9.269 1.00 0.00 C ATOM 1687 CG LEU A 108 5.148 -22.529 -8.488 1.00 0.00 C ATOM 1688 CD1 LEU A 108 6.672 -22.468 -8.576 1.00 0.00 C ATOM 1689 CD2 LEU A 108 4.702 -22.493 -7.030 1.00 0.00 C ATOM 0 H LEU A 108 3.112 -23.040 -10.336 1.00 0.00 H new ATOM 0 HA LEU A 108 2.638 -21.154 -8.223 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.865 -21.427 -10.306 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.937 -20.429 -8.868 1.00 0.00 H new ATOM 0 HG LEU A 108 4.801 -23.464 -8.928 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.102 -23.301 -8.020 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.979 -22.532 -9.620 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.024 -21.528 -8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.146 -23.331 -6.493 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.025 -21.557 -6.574 1.00 0.00 H new ATOM 0 HD23 LEU A 108 3.616 -22.565 -6.980 1.00 0.00 H new ATOM 1701 N THR A 109 1.230 -19.976 -10.392 1.00 0.00 N ATOM 1702 CA THR A 109 0.721 -18.731 -10.946 1.00 0.00 C ATOM 1703 C THR A 109 0.701 -17.715 -9.803 1.00 0.00 C ATOM 1704 O THR A 109 0.486 -18.079 -8.638 1.00 0.00 O ATOM 1705 CB THR A 109 -0.656 -18.947 -11.589 1.00 0.00 C ATOM 1706 OG1 THR A 109 -1.552 -19.505 -10.653 1.00 0.00 O ATOM 1707 CG2 THR A 109 -0.548 -19.894 -12.794 1.00 0.00 C ATOM 0 H THR A 109 0.547 -20.728 -10.304 1.00 0.00 H new ATOM 0 HA THR A 109 1.355 -18.355 -11.749 1.00 0.00 H new ATOM 0 HB THR A 109 -1.026 -17.977 -11.921 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.427 -19.636 -11.075 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.534 -20.034 -13.236 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.124 -19.463 -13.536 1.00 0.00 H new ATOM 0 HG23 THR A 109 -0.157 -20.857 -12.466 1.00 0.00 H new ATOM 1715 N SER A 110 0.911 -16.438 -10.118 1.00 0.00 N ATOM 1716 CA SER A 110 0.837 -15.370 -9.134 1.00 0.00 C ATOM 1717 C SER A 110 -0.520 -15.397 -8.423 1.00 0.00 C ATOM 1718 O SER A 110 -0.579 -15.211 -7.210 1.00 0.00 O ATOM 1719 CB SER A 110 1.076 -14.042 -9.853 1.00 0.00 C ATOM 1720 OG SER A 110 2.270 -14.086 -10.609 1.00 0.00 O ATOM 0 H SER A 110 1.136 -16.120 -11.061 1.00 0.00 H new ATOM 0 HA SER A 110 1.600 -15.501 -8.366 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.233 -13.822 -10.509 1.00 0.00 H new ATOM 0 HB3 SER A 110 1.132 -13.234 -9.124 1.00 0.00 H new ATOM 0 HG SER A 110 3.012 -13.743 -10.069 1.00 0.00 H new ATOM 1726 N GLU A 111 -1.596 -15.703 -9.155 1.00 0.00 N ATOM 1727 CA GLU A 111 -2.948 -15.812 -8.626 1.00 0.00 C ATOM 1728 C GLU A 111 -3.075 -16.985 -7.649 1.00 0.00 C ATOM 1729 O GLU A 111 -3.716 -16.819 -6.612 1.00 0.00 O ATOM 1730 CB GLU A 111 -3.949 -15.966 -9.784 1.00 0.00 C ATOM 1731 CG GLU A 111 -4.201 -14.664 -10.569 1.00 0.00 C ATOM 1732 CD GLU A 111 -2.958 -14.073 -11.257 1.00 0.00 C ATOM 1733 OE1 GLU A 111 -2.175 -14.826 -11.879 1.00 0.00 O ATOM 1734 OE2 GLU A 111 -2.762 -12.839 -11.164 1.00 0.00 O ATOM 0 H GLU A 111 -1.543 -15.885 -10.157 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.173 -14.899 -8.074 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.580 -16.727 -10.471 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.897 -16.328 -9.386 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -4.962 -14.855 -11.326 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -4.610 -13.919 -9.887 1.00 0.00 H new ATOM 1741 N ASN A 112 -2.465 -18.148 -7.914 1.00 0.00 N ATOM 1742 CA ASN A 112 -2.547 -19.271 -6.975 1.00 0.00 C ATOM 1743 C ASN A 112 -1.774 -18.959 -5.699 1.00 0.00 C ATOM 1744 O ASN A 112 -2.214 -19.334 -4.612 1.00 0.00 O ATOM 1745 CB ASN A 112 -1.990 -20.558 -7.592 1.00 0.00 C ATOM 1746 CG ASN A 112 -2.975 -21.284 -8.505 1.00 0.00 C ATOM 1747 OD1 ASN A 112 -4.190 -21.112 -8.429 1.00 0.00 O ATOM 1748 ND2 ASN A 112 -2.466 -22.127 -9.387 1.00 0.00 N ATOM 0 H ASN A 112 -1.919 -18.333 -8.755 1.00 0.00 H new ATOM 0 HA ASN A 112 -3.601 -19.420 -6.741 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -1.092 -20.317 -8.161 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -1.688 -21.232 -6.791 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -3.083 -22.643 -10.014 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.456 -22.261 -9.440 1.00 0.00 H new ATOM 1755 N CYS A 113 -0.636 -18.269 -5.814 1.00 0.00 N ATOM 1756 CA CYS A 113 0.134 -17.871 -4.646 1.00 0.00 C ATOM 1757 C CYS A 113 -0.666 -16.852 -3.831 1.00 0.00 C ATOM 1758 O CYS A 113 -0.774 -17.005 -2.616 1.00 0.00 O ATOM 1759 CB CYS A 113 1.494 -17.305 -5.067 1.00 0.00 C ATOM 1760 SG CYS A 113 2.366 -18.535 -6.089 1.00 0.00 S ATOM 0 H CYS A 113 -0.233 -17.978 -6.705 1.00 0.00 H new ATOM 0 HA CYS A 113 0.322 -18.744 -4.021 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.358 -16.380 -5.627 1.00 0.00 H new ATOM 0 HB3 CYS A 113 2.088 -17.060 -4.186 1.00 0.00 H new ATOM 0 HG CYS A 113 1.823 -18.582 -7.269 1.00 0.00 H new ATOM 1766 N GLU A 114 -1.263 -15.856 -4.496 1.00 0.00 N ATOM 1767 CA GLU A 114 -2.086 -14.829 -3.865 1.00 0.00 C ATOM 1768 C GLU A 114 -3.252 -15.476 -3.119 1.00 0.00 C ATOM 1769 O GLU A 114 -3.515 -15.143 -1.961 1.00 0.00 O ATOM 1770 CB GLU A 114 -2.602 -13.844 -4.929 1.00 0.00 C ATOM 1771 CG GLU A 114 -3.205 -12.584 -4.292 1.00 0.00 C ATOM 1772 CD GLU A 114 -3.488 -11.460 -5.307 1.00 0.00 C ATOM 1773 OE1 GLU A 114 -2.659 -11.202 -6.213 1.00 0.00 O ATOM 1774 OE2 GLU A 114 -4.554 -10.812 -5.180 1.00 0.00 O ATOM 0 H GLU A 114 -1.183 -15.743 -5.507 1.00 0.00 H new ATOM 0 HA GLU A 114 -1.481 -14.278 -3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.783 -13.561 -5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.354 -14.336 -5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.134 -12.850 -3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -2.523 -12.210 -3.528 1.00 0.00 H new ATOM 1781 N HIS A 115 -3.920 -16.429 -3.780 1.00 0.00 N ATOM 1782 CA HIS A 115 -5.031 -17.183 -3.233 1.00 0.00 C ATOM 1783 C HIS A 115 -4.584 -17.864 -1.946 1.00 0.00 C ATOM 1784 O HIS A 115 -5.196 -17.645 -0.903 1.00 0.00 O ATOM 1785 CB HIS A 115 -5.541 -18.189 -4.282 1.00 0.00 C ATOM 1786 CG HIS A 115 -6.570 -19.154 -3.742 1.00 0.00 C ATOM 1787 ND1 HIS A 115 -7.956 -19.038 -3.886 1.00 0.00 N ATOM 1788 CD2 HIS A 115 -6.295 -20.240 -2.962 1.00 0.00 C ATOM 1789 CE1 HIS A 115 -8.479 -20.034 -3.146 1.00 0.00 C ATOM 1790 NE2 HIS A 115 -7.505 -20.758 -2.570 1.00 0.00 N ATOM 0 H HIS A 115 -3.688 -16.697 -4.737 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.862 -16.521 -2.990 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -5.973 -17.641 -5.119 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -4.695 -18.754 -4.673 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -5.317 -20.618 -2.704 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -9.536 -20.225 -3.031 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -7.641 -21.555 -1.948 1.00 0.00 H new ATOM 1798 N PHE A 116 -3.501 -18.647 -1.995 1.00 0.00 N ATOM 1799 CA PHE A 116 -3.062 -19.417 -0.846 1.00 0.00 C ATOM 1800 C PHE A 116 -2.726 -18.514 0.329 1.00 0.00 C ATOM 1801 O PHE A 116 -3.230 -18.742 1.426 1.00 0.00 O ATOM 1802 CB PHE A 116 -1.849 -20.272 -1.232 1.00 0.00 C ATOM 1803 CG PHE A 116 -1.095 -20.868 -0.051 1.00 0.00 C ATOM 1804 CD1 PHE A 116 -0.021 -20.158 0.525 1.00 0.00 C ATOM 1805 CD2 PHE A 116 -1.426 -22.142 0.442 1.00 0.00 C ATOM 1806 CE1 PHE A 116 0.712 -20.705 1.591 1.00 0.00 C ATOM 1807 CE2 PHE A 116 -0.684 -22.701 1.500 1.00 0.00 C ATOM 1808 CZ PHE A 116 0.382 -21.983 2.076 1.00 0.00 C ATOM 0 H PHE A 116 -2.917 -18.758 -2.824 1.00 0.00 H new ATOM 0 HA PHE A 116 -3.878 -20.069 -0.535 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.183 -21.082 -1.880 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.160 -19.661 -1.815 1.00 0.00 H new ATOM 0 HD1 PHE A 116 0.241 -19.183 0.142 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -2.249 -22.692 0.010 1.00 0.00 H new ATOM 0 HE1 PHE A 116 1.524 -20.148 2.035 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -0.933 -23.684 1.871 1.00 0.00 H new ATOM 0 HZ PHE A 116 0.946 -22.414 2.890 1.00 0.00 H new ATOM 1818 N VAL A 117 -1.900 -17.489 0.124 1.00 0.00 N ATOM 1819 CA VAL A 117 -1.491 -16.662 1.256 1.00 0.00 C ATOM 1820 C VAL A 117 -2.711 -15.961 1.869 1.00 0.00 C ATOM 1821 O VAL A 117 -2.772 -15.820 3.089 1.00 0.00 O ATOM 1822 CB VAL A 117 -0.335 -15.704 0.912 1.00 0.00 C ATOM 1823 CG1 VAL A 117 0.906 -16.461 0.418 1.00 0.00 C ATOM 1824 CG2 VAL A 117 -0.703 -14.608 -0.097 1.00 0.00 C ATOM 0 H VAL A 117 -1.513 -17.218 -0.780 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.076 -17.317 2.022 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.108 -15.205 1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.698 -15.749 0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 117 1.248 -17.145 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.654 -17.028 -0.478 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.167 -13.978 -0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.025 -15.067 -1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.512 -13.999 0.306 1.00 0.00 H new ATOM 1834 N ASN A 118 -3.718 -15.588 1.066 1.00 0.00 N ATOM 1835 CA ASN A 118 -4.952 -15.009 1.595 1.00 0.00 C ATOM 1836 C ASN A 118 -5.747 -16.053 2.376 1.00 0.00 C ATOM 1837 O ASN A 118 -6.311 -15.729 3.418 1.00 0.00 O ATOM 1838 CB ASN A 118 -5.806 -14.370 0.490 1.00 0.00 C ATOM 1839 CG ASN A 118 -5.339 -12.959 0.170 1.00 0.00 C ATOM 1840 OD1 ASN A 118 -5.947 -11.989 0.600 1.00 0.00 O ATOM 1841 ND2 ASN A 118 -4.234 -12.806 -0.537 1.00 0.00 N ATOM 0 H ASN A 118 -3.698 -15.678 0.050 1.00 0.00 H new ATOM 0 HA ASN A 118 -4.672 -14.210 2.281 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -5.757 -14.983 -0.410 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -6.850 -14.347 0.803 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -3.878 -11.870 -0.730 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -3.737 -13.624 -0.890 1.00 0.00 H new ATOM 1848 N GLU A 119 -5.748 -17.307 1.932 1.00 0.00 N ATOM 1849 CA GLU A 119 -6.305 -18.435 2.664 1.00 0.00 C ATOM 1850 C GLU A 119 -5.665 -18.574 4.050 1.00 0.00 C ATOM 1851 O GLU A 119 -6.361 -18.896 5.007 1.00 0.00 O ATOM 1852 CB GLU A 119 -6.142 -19.725 1.833 1.00 0.00 C ATOM 1853 CG GLU A 119 -7.417 -20.564 1.846 1.00 0.00 C ATOM 1854 CD GLU A 119 -7.242 -21.909 1.117 1.00 0.00 C ATOM 1855 OE1 GLU A 119 -6.713 -22.869 1.723 1.00 0.00 O ATOM 1856 OE2 GLU A 119 -7.662 -22.029 -0.057 1.00 0.00 O ATOM 0 H GLU A 119 -5.351 -17.571 1.030 1.00 0.00 H new ATOM 0 HA GLU A 119 -7.368 -18.257 2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -5.885 -19.467 0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -5.314 -20.313 2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.716 -20.749 2.878 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -8.224 -20.001 1.376 1.00 0.00 H new ATOM 1863 N LEU A 120 -4.367 -18.292 4.197 1.00 0.00 N ATOM 1864 CA LEU A 120 -3.700 -18.349 5.493 1.00 0.00 C ATOM 1865 C LEU A 120 -4.005 -17.094 6.310 1.00 0.00 C ATOM 1866 O LEU A 120 -4.306 -17.190 7.498 1.00 0.00 O ATOM 1867 CB LEU A 120 -2.181 -18.506 5.327 1.00 0.00 C ATOM 1868 CG LEU A 120 -1.729 -19.964 5.156 1.00 0.00 C ATOM 1869 CD1 LEU A 120 -2.329 -20.674 3.941 1.00 0.00 C ATOM 1870 CD2 LEU A 120 -0.203 -19.985 5.037 1.00 0.00 C ATOM 0 H LEU A 120 -3.757 -18.020 3.426 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.082 -19.221 6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.857 -17.930 4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.683 -18.080 6.198 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.086 -20.506 6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.957 -21.697 3.897 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.416 -20.687 4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.043 -20.144 3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.138 -21.013 4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.103 -19.396 4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.238 -19.561 5.939 1.00 0.00 H new ATOM 1882 N ARG A 121 -3.927 -15.918 5.683 1.00 0.00 N ATOM 1883 CA ARG A 121 -4.102 -14.627 6.346 1.00 0.00 C ATOM 1884 C ARG A 121 -5.527 -14.436 6.865 1.00 0.00 C ATOM 1885 O ARG A 121 -5.706 -13.778 7.892 1.00 0.00 O ATOM 1886 CB ARG A 121 -3.727 -13.522 5.346 1.00 0.00 C ATOM 1887 CG ARG A 121 -3.816 -12.097 5.909 1.00 0.00 C ATOM 1888 CD ARG A 121 -2.769 -11.846 6.992 1.00 0.00 C ATOM 1889 NE ARG A 121 -2.743 -10.440 7.419 1.00 0.00 N ATOM 1890 CZ ARG A 121 -3.639 -9.821 8.198 1.00 0.00 C ATOM 1891 NH1 ARG A 121 -4.739 -10.442 8.617 1.00 0.00 N ATOM 1892 NH2 ARG A 121 -3.411 -8.562 8.550 1.00 0.00 N ATOM 0 H ARG A 121 -3.737 -15.836 4.684 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.452 -14.582 7.220 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.710 -13.697 4.995 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.382 -13.598 4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.682 -11.378 5.101 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -4.811 -11.931 6.321 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -2.978 -12.482 7.852 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.785 -12.129 6.618 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.960 -9.877 7.087 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -4.913 -11.410 8.345 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -5.408 -9.950 9.210 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.568 -8.087 8.228 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -4.079 -8.069 9.143 1.00 0.00 H new ATOM 1906 N TYR A 122 -6.517 -14.978 6.156 1.00 0.00 N ATOM 1907 CA TYR A 122 -7.938 -14.710 6.399 1.00 0.00 C ATOM 1908 C TYR A 122 -8.788 -15.985 6.470 1.00 0.00 C ATOM 1909 O TYR A 122 -10.011 -15.897 6.557 1.00 0.00 O ATOM 1910 CB TYR A 122 -8.491 -13.755 5.325 1.00 0.00 C ATOM 1911 CG TYR A 122 -7.708 -12.472 5.123 1.00 0.00 C ATOM 1912 CD1 TYR A 122 -7.817 -11.413 6.048 1.00 0.00 C ATOM 1913 CD2 TYR A 122 -6.880 -12.331 3.995 1.00 0.00 C ATOM 1914 CE1 TYR A 122 -7.086 -10.228 5.853 1.00 0.00 C ATOM 1915 CE2 TYR A 122 -6.143 -11.151 3.798 1.00 0.00 C ATOM 1916 CZ TYR A 122 -6.238 -10.098 4.734 1.00 0.00 C ATOM 1917 OH TYR A 122 -5.465 -8.985 4.589 1.00 0.00 O ATOM 0 H TYR A 122 -6.354 -15.625 5.385 1.00 0.00 H new ATOM 0 HA TYR A 122 -8.005 -14.238 7.379 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -8.530 -14.289 4.375 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -9.517 -13.496 5.588 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -8.463 -11.512 6.908 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -6.810 -13.134 3.276 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -7.174 -9.417 6.561 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -5.505 -11.050 2.932 1.00 0.00 H new ATOM 0 HH TYR A 122 -4.645 -9.217 4.105 1.00 0.00 H new ATOM 1927 N GLY A 123 -8.190 -17.178 6.425 1.00 0.00 N ATOM 1928 CA GLY A 123 -8.887 -18.449 6.625 1.00 0.00 C ATOM 1929 C GLY A 123 -9.470 -18.998 5.321 1.00 0.00 C ATOM 1930 O GLY A 123 -9.483 -20.212 5.116 1.00 0.00 O ATOM 0 H GLY A 123 -7.192 -17.289 6.246 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.196 -19.178 7.048 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -9.689 -18.312 7.351 1.00 0.00 H new ATOM 1934 N VAL A 124 -9.900 -18.112 4.420 1.00 0.00 N ATOM 1935 CA VAL A 124 -10.338 -18.409 3.061 1.00 0.00 C ATOM 1936 C VAL A 124 -9.843 -17.230 2.212 1.00 0.00 C ATOM 1937 O VAL A 124 -9.901 -16.086 2.676 1.00 0.00 O ATOM 1938 CB VAL A 124 -11.880 -18.553 2.993 1.00 0.00 C ATOM 1939 CG1 VAL A 124 -12.320 -19.061 1.611 1.00 0.00 C ATOM 1940 CG2 VAL A 124 -12.462 -19.518 4.042 1.00 0.00 C ATOM 0 H VAL A 124 -9.954 -17.116 4.634 1.00 0.00 H new ATOM 0 HA VAL A 124 -9.937 -19.356 2.700 1.00 0.00 H new ATOM 0 HB VAL A 124 -12.262 -17.552 3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -13.406 -19.154 1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -11.999 -18.355 0.845 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -11.868 -20.034 1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -13.545 -19.566 3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -12.038 -20.512 3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -12.215 -19.161 5.042 1.00 0.00 H new ATOM 1950 N ALA A 125 -9.321 -17.503 1.008 1.00 0.00 N ATOM 1951 CA ALA A 125 -8.913 -16.471 0.065 1.00 0.00 C ATOM 1952 C ALA A 125 -10.016 -15.427 -0.143 1.00 0.00 C ATOM 1953 O ALA A 125 -11.186 -15.816 -0.352 1.00 0.00 O ATOM 1954 CB ALA A 125 -8.514 -17.103 -1.266 1.00 0.00 C ATOM 1955 OXT ALA A 125 -9.697 -14.222 -0.151 1.00 0.00 O ATOM 0 H ALA A 125 -9.172 -18.453 0.666 1.00 0.00 H new ATOM 0 HA ALA A 125 -8.050 -15.955 0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -8.211 -16.322 -1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -7.683 -17.791 -1.108 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -9.363 -17.648 -1.679 1.00 0.00 H new TER 1961 ALA A 125