USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 505 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 47 CYS SG : rot 163:sc= -4.5! USER MOD Set 1.2: A 49 HIS : no HD1:sc= -8.62! C(o=-15!,f=-18!) USER MOD Set 1.3: A 71 CYS SG : rot -128:sc= -1.76 USER MOD Set 1.4: A 73 SER OG : rot -161:sc= -0.465! USER MOD Set 1.5: A 74 CYS SG : rot 180:sc= 0.361 USER MOD Set 1.6: A 76 THR OG1 : rot 107:sc= 0.473 USER MOD Set 2.1: A 59 MET CE :methyl -113:sc= -1.11 (180deg=-2.98!) USER MOD Set 2.2: A 70 GLN : amide:sc= -5.52! C(o=-6.6!,f=-10!) USER MOD Set 3.1: A 14 CYS SG : rot 30:sc= -1.16 USER MOD Set 3.2: A 17 CYS SG : rot -43:sc= -1.08 USER MOD Set 3.3: A 25 SER OG : rot 84:sc= 0.375 USER MOD Set 3.4: A 52 HIS : no HE2:sc= -8.31! C(o=-14!,f=-19!) USER MOD Set 3.5: A 55 CYS SG : rot 180:sc= -3.95! USER MOD Set 4.1: A 28 SER OG : rot -37:sc= -0.88 USER MOD Set 4.2: A 38 SER OG : rot 144:sc= 0.0488 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 171:sc= -0.398 (180deg=-0.747) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 162:sc= -2.35! USER MOD Single : A 27 TYR OH : rot 72:sc= 0.0313 USER MOD Single : A 31 THR OG1 : rot -160:sc= -1.01 USER MOD Single : A 43 HIS : no HE2:sc= -4.79! C(o=-4.8!,f=-7.9!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 91:sc= -0.421 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -2.34 K(o=-2.3,f=-3.4!) USER MOD Single : A 65 LYS NZ :NH3+ -154:sc= 0.207 (180deg=0.0371) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 3.817 -0.088 -4.067 1.00 0.00 N ATOM 37 CA THR A 3 3.037 -1.313 -4.186 1.00 0.00 C ATOM 38 C THR A 3 2.278 -1.356 -5.506 1.00 0.00 C ATOM 39 O THR A 3 2.090 -0.329 -6.158 1.00 0.00 O ATOM 40 CB THR A 3 2.035 -1.455 -3.025 1.00 0.00 C ATOM 41 OG1 THR A 3 0.948 -0.541 -3.201 1.00 0.00 O ATOM 42 CG2 THR A 3 2.713 -1.193 -1.688 1.00 0.00 C ATOM 0 HA THR A 3 3.743 -2.142 -4.150 1.00 0.00 H new ATOM 0 HB THR A 3 1.654 -2.476 -3.027 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.315 -0.639 -2.459 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.985 -1.299 -0.884 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.521 -1.910 -1.543 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.119 -0.182 -1.678 1.00 0.00 H new ATOM 50 N GLU A 4 1.842 -2.551 -5.894 1.00 0.00 N ATOM 51 CA GLU A 4 1.102 -2.726 -7.138 1.00 0.00 C ATOM 52 C GLU A 4 -0.314 -3.225 -6.864 1.00 0.00 C ATOM 53 O GLU A 4 -0.510 -4.369 -6.456 1.00 0.00 O ATOM 54 CB GLU A 4 1.831 -3.707 -8.059 1.00 0.00 C ATOM 55 CG GLU A 4 1.015 -4.130 -9.267 1.00 0.00 C ATOM 56 CD GLU A 4 1.816 -4.961 -10.252 1.00 0.00 C ATOM 57 OE1 GLU A 4 2.436 -4.369 -11.160 1.00 0.00 O ATOM 58 OE2 GLU A 4 1.824 -6.202 -10.113 1.00 0.00 O ATOM 0 H GLU A 4 1.988 -3.411 -5.365 1.00 0.00 H new ATOM 0 HA GLU A 4 1.038 -1.756 -7.631 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.759 -3.249 -8.401 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.104 -4.594 -7.487 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.150 -4.703 -8.933 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.634 -3.242 -9.772 1.00 0.00 H new ATOM 65 N GLU A 5 -1.295 -2.358 -7.092 1.00 0.00 N ATOM 66 CA GLU A 5 -2.692 -2.711 -6.867 1.00 0.00 C ATOM 67 C GLU A 5 -3.018 -4.067 -7.486 1.00 0.00 C ATOM 68 O GLU A 5 -2.329 -4.525 -8.400 1.00 0.00 O ATOM 69 CB GLU A 5 -3.613 -1.637 -7.452 1.00 0.00 C ATOM 70 CG GLU A 5 -4.880 -1.416 -6.643 1.00 0.00 C ATOM 71 CD GLU A 5 -5.119 0.046 -6.321 1.00 0.00 C ATOM 72 OE1 GLU A 5 -4.149 0.736 -5.940 1.00 0.00 O ATOM 73 OE2 GLU A 5 -6.275 0.502 -6.449 1.00 0.00 O ATOM 0 H GLU A 5 -1.149 -1.407 -7.432 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.855 -2.774 -5.791 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.065 -0.697 -7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.886 -1.919 -8.469 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.733 -1.806 -7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.817 -1.983 -5.714 1.00 0.00 H new ATOM 80 N LEU A 6 -4.069 -4.703 -6.984 1.00 0.00 N ATOM 81 CA LEU A 6 -4.487 -6.008 -7.487 1.00 0.00 C ATOM 82 C LEU A 6 -5.981 -6.021 -7.792 1.00 0.00 C ATOM 83 O LEU A 6 -6.812 -6.045 -6.883 1.00 0.00 O ATOM 84 CB LEU A 6 -4.152 -7.099 -6.469 1.00 0.00 C ATOM 85 CG LEU A 6 -2.946 -6.832 -5.569 1.00 0.00 C ATOM 86 CD1 LEU A 6 -2.906 -7.826 -4.419 1.00 0.00 C ATOM 87 CD2 LEU A 6 -1.656 -6.893 -6.374 1.00 0.00 C ATOM 0 H LEU A 6 -4.649 -4.337 -6.229 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.945 -6.205 -8.412 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.025 -7.256 -5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.978 -8.030 -7.009 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.044 -5.830 -5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.040 -7.620 -3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.816 -7.733 -3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.833 -8.839 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.808 -6.700 -5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.552 -7.882 -6.820 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.683 -6.140 -7.162 1.00 0.00 H new ATOM 99 N LYS A 7 -6.318 -6.006 -9.078 1.00 0.00 N ATOM 100 CA LYS A 7 -7.711 -6.020 -9.505 1.00 0.00 C ATOM 101 C LYS A 7 -8.550 -6.911 -8.594 1.00 0.00 C ATOM 102 O LYS A 7 -9.749 -6.686 -8.422 1.00 0.00 O ATOM 103 CB LYS A 7 -7.818 -6.507 -10.951 1.00 0.00 C ATOM 104 CG LYS A 7 -6.902 -5.768 -11.912 1.00 0.00 C ATOM 105 CD LYS A 7 -7.184 -6.147 -13.355 1.00 0.00 C ATOM 106 CE LYS A 7 -5.900 -6.426 -14.120 1.00 0.00 C ATOM 107 NZ LYS A 7 -6.130 -7.331 -15.280 1.00 0.00 N ATOM 0 H LYS A 7 -5.643 -5.984 -9.843 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.094 -5.002 -9.442 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.584 -7.571 -10.985 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.849 -6.396 -11.287 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.032 -4.693 -11.785 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.863 -5.994 -11.672 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.824 -7.029 -13.382 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.732 -5.341 -13.843 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.475 -5.486 -14.472 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.168 -6.875 -13.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.230 -7.496 -15.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.511 -8.238 -14.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.809 -6.892 -15.934 1.00 0.00 H new ATOM 121 N VAL A 8 -7.913 -7.921 -8.011 1.00 0.00 N ATOM 122 CA VAL A 8 -8.600 -8.844 -7.115 1.00 0.00 C ATOM 123 C VAL A 8 -7.753 -9.151 -5.886 1.00 0.00 C ATOM 124 O VAL A 8 -6.527 -9.244 -5.955 1.00 0.00 O ATOM 125 CB VAL A 8 -8.948 -10.164 -7.829 1.00 0.00 C ATOM 126 CG1 VAL A 8 -10.148 -9.976 -8.745 1.00 0.00 C ATOM 127 CG2 VAL A 8 -7.748 -10.680 -8.608 1.00 0.00 C ATOM 0 H VAL A 8 -6.922 -8.121 -8.143 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.522 -8.354 -6.803 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.210 -10.907 -7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.379 -10.919 -9.241 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.008 -9.655 -8.157 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.918 -9.219 -9.495 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.011 -11.613 -9.106 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.453 -9.941 -9.353 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.918 -10.856 -7.924 1.00 0.00 H new ATOM 137 N PRO A 9 -8.418 -9.313 -4.734 1.00 0.00 N ATOM 138 CA PRO A 9 -7.746 -9.613 -3.466 1.00 0.00 C ATOM 139 C PRO A 9 -7.161 -11.021 -3.440 1.00 0.00 C ATOM 140 O PRO A 9 -7.850 -12.011 -3.690 1.00 0.00 O ATOM 141 CB PRO A 9 -8.865 -9.480 -2.430 1.00 0.00 C ATOM 142 CG PRO A 9 -10.119 -9.744 -3.191 1.00 0.00 C ATOM 143 CD PRO A 9 -9.880 -9.217 -4.579 1.00 0.00 C ATOM 0 HA PRO A 9 -6.900 -8.950 -3.286 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.738 -10.194 -1.616 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.875 -8.486 -1.983 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.346 -10.810 -3.212 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.970 -9.246 -2.726 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.403 -9.810 -5.329 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.229 -8.190 -4.684 1.00 0.00 H new ATOM 151 N PRO A 10 -5.860 -11.117 -3.130 1.00 0.00 N ATOM 152 CA PRO A 10 -5.154 -12.400 -3.063 1.00 0.00 C ATOM 153 C PRO A 10 -5.599 -13.245 -1.874 1.00 0.00 C ATOM 154 O PRO A 10 -6.643 -12.988 -1.274 1.00 0.00 O ATOM 155 CB PRO A 10 -3.687 -11.990 -2.908 1.00 0.00 C ATOM 156 CG PRO A 10 -3.736 -10.637 -2.285 1.00 0.00 C ATOM 157 CD PRO A 10 -4.977 -9.979 -2.821 1.00 0.00 C ATOM 0 HA PRO A 10 -5.348 -13.018 -3.940 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.143 -12.696 -2.280 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.179 -11.964 -3.872 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -3.771 -10.709 -1.198 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.847 -10.059 -2.538 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.426 -9.310 -2.087 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -4.764 -9.383 -3.708 1.00 0.00 H new ATOM 165 N ASP A 11 -4.802 -14.253 -1.540 1.00 0.00 N ATOM 166 CA ASP A 11 -5.113 -15.135 -0.421 1.00 0.00 C ATOM 167 C ASP A 11 -4.053 -15.025 0.670 1.00 0.00 C ATOM 168 O ASP A 11 -3.393 -16.007 1.009 1.00 0.00 O ATOM 169 CB ASP A 11 -5.221 -16.583 -0.901 1.00 0.00 C ATOM 170 CG ASP A 11 -5.995 -17.458 0.066 1.00 0.00 C ATOM 171 OD1 ASP A 11 -7.212 -17.642 -0.144 1.00 0.00 O ATOM 172 OD2 ASP A 11 -5.383 -17.960 1.033 1.00 0.00 O ATOM 0 H ASP A 11 -3.936 -14.480 -2.028 1.00 0.00 H new ATOM 0 HA ASP A 11 -6.071 -14.826 -0.003 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.709 -16.604 -1.876 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.220 -16.993 -1.036 1.00 0.00 H new ATOM 177 N GLU A 12 -3.894 -13.823 1.215 1.00 0.00 N ATOM 178 CA GLU A 12 -2.912 -13.585 2.266 1.00 0.00 C ATOM 179 C GLU A 12 -3.585 -13.054 3.529 1.00 0.00 C ATOM 180 O GLU A 12 -3.037 -13.156 4.627 1.00 0.00 O ATOM 181 CB GLU A 12 -1.849 -12.594 1.787 1.00 0.00 C ATOM 182 CG GLU A 12 -1.031 -13.102 0.612 1.00 0.00 C ATOM 183 CD GLU A 12 0.422 -13.345 0.973 1.00 0.00 C ATOM 184 OE1 GLU A 12 0.703 -13.585 2.166 1.00 0.00 O ATOM 185 OE2 GLU A 12 1.276 -13.293 0.064 1.00 0.00 O ATOM 0 H GLU A 12 -4.432 -12.999 0.946 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.433 -14.535 2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.335 -11.661 1.504 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.178 -12.365 2.615 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.470 -14.029 0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.083 -12.379 -0.202 1.00 0.00 H new ATOM 192 N ASP A 13 -4.774 -12.487 3.364 1.00 0.00 N ATOM 193 CA ASP A 13 -5.523 -11.940 4.491 1.00 0.00 C ATOM 194 C ASP A 13 -4.791 -10.751 5.105 1.00 0.00 C ATOM 195 O ASP A 13 -3.592 -10.819 5.372 1.00 0.00 O ATOM 196 CB ASP A 13 -5.750 -13.018 5.551 1.00 0.00 C ATOM 197 CG ASP A 13 -6.477 -14.230 5.000 1.00 0.00 C ATOM 198 OD1 ASP A 13 -7.100 -14.961 5.797 1.00 0.00 O ATOM 199 OD2 ASP A 13 -6.422 -14.445 3.772 1.00 0.00 O ATOM 0 H ASP A 13 -5.241 -12.394 2.462 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.489 -11.596 4.121 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.789 -13.330 5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.325 -12.597 6.376 1.00 0.00 H new ATOM 204 N CYS A 14 -5.520 -9.662 5.323 1.00 0.00 N ATOM 205 CA CYS A 14 -4.940 -8.457 5.903 1.00 0.00 C ATOM 206 C CYS A 14 -4.169 -8.784 7.178 1.00 0.00 C ATOM 207 O CYS A 14 -4.476 -9.754 7.870 1.00 0.00 O ATOM 208 CB CYS A 14 -6.036 -7.433 6.206 1.00 0.00 C ATOM 209 SG CYS A 14 -5.409 -5.786 6.665 1.00 0.00 S ATOM 0 H CYS A 14 -6.514 -9.589 5.107 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.246 -8.033 5.178 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.678 -7.334 5.331 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.658 -7.812 7.017 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.269 -5.576 6.076 1.00 0.00 H new ATOM 214 N ILE A 15 -3.165 -7.967 7.481 1.00 0.00 N ATOM 215 CA ILE A 15 -2.350 -8.169 8.672 1.00 0.00 C ATOM 216 C ILE A 15 -2.602 -7.072 9.702 1.00 0.00 C ATOM 217 O ILE A 15 -2.198 -7.190 10.859 1.00 0.00 O ATOM 218 CB ILE A 15 -0.849 -8.200 8.329 1.00 0.00 C ATOM 219 CG1 ILE A 15 -0.649 -8.160 6.813 1.00 0.00 C ATOM 220 CG2 ILE A 15 -0.196 -9.440 8.922 1.00 0.00 C ATOM 221 CD1 ILE A 15 0.805 -8.140 6.396 1.00 0.00 C ATOM 0 H ILE A 15 -2.897 -7.160 6.918 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.638 -9.133 9.092 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.374 -7.320 8.763 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.134 -9.028 6.368 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.146 -7.276 6.412 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.865 -9.448 8.671 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.312 -9.430 10.006 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.672 -10.332 8.515 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.871 -8.112 5.308 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.291 -7.257 6.812 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.302 -9.036 6.767 1.00 0.00 H new ATOM 233 N ILE A 16 -3.274 -6.009 9.275 1.00 0.00 N ATOM 234 CA ILE A 16 -3.583 -4.894 10.160 1.00 0.00 C ATOM 235 C ILE A 16 -4.773 -5.217 11.057 1.00 0.00 C ATOM 236 O ILE A 16 -4.623 -5.401 12.265 1.00 0.00 O ATOM 237 CB ILE A 16 -3.886 -3.611 9.365 1.00 0.00 C ATOM 238 CG1 ILE A 16 -2.924 -3.478 8.182 1.00 0.00 C ATOM 239 CG2 ILE A 16 -3.793 -2.391 10.270 1.00 0.00 C ATOM 240 CD1 ILE A 16 -1.472 -3.377 8.593 1.00 0.00 C ATOM 0 H ILE A 16 -3.615 -5.897 8.320 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.700 -4.728 10.778 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.903 -3.674 8.977 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.048 -4.338 7.525 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.192 -2.594 7.604 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.010 -1.492 9.693 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.515 -2.484 11.081 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.788 -2.322 10.685 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.848 -3.285 7.704 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.333 -2.501 9.226 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.187 -4.272 9.145 1.00 0.00 H new ATOM 252 N CYS A 17 -5.957 -5.285 10.456 1.00 0.00 N ATOM 253 CA CYS A 17 -7.175 -5.588 11.199 1.00 0.00 C ATOM 254 C CYS A 17 -7.389 -7.095 11.303 1.00 0.00 C ATOM 255 O CYS A 17 -8.387 -7.554 11.857 1.00 0.00 O ATOM 256 CB CYS A 17 -8.383 -4.934 10.526 1.00 0.00 C ATOM 257 SG CYS A 17 -8.677 -5.498 8.818 1.00 0.00 S ATOM 0 H CYS A 17 -6.099 -5.134 9.457 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.067 -5.185 12.206 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.272 -5.137 11.123 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.242 -3.853 10.521 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.545 -5.562 8.181 1.00 0.00 H new ATOM 262 N MET A 18 -6.445 -7.859 10.764 1.00 0.00 N ATOM 263 CA MET A 18 -6.529 -9.315 10.796 1.00 0.00 C ATOM 264 C MET A 18 -7.839 -9.797 10.183 1.00 0.00 C ATOM 265 O MET A 18 -8.484 -10.704 10.708 1.00 0.00 O ATOM 266 CB MET A 18 -6.409 -9.822 12.235 1.00 0.00 C ATOM 267 CG MET A 18 -4.983 -9.826 12.762 1.00 0.00 C ATOM 268 SD MET A 18 -4.391 -11.484 13.151 1.00 0.00 S ATOM 269 CE MET A 18 -2.827 -11.499 12.278 1.00 0.00 C ATOM 0 H MET A 18 -5.613 -7.495 10.300 1.00 0.00 H new ATOM 0 HA MET A 18 -5.704 -9.715 10.207 1.00 0.00 H new ATOM 0 HB2 MET A 18 -7.025 -9.199 12.883 1.00 0.00 H new ATOM 0 HB3 MET A 18 -6.810 -10.834 12.290 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.324 -9.374 12.020 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.929 -9.206 13.657 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.339 -12.463 12.423 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.002 -11.337 11.214 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.187 -10.706 12.665 1.00 0.00 H new ATOM 279 N GLU A 19 -8.226 -9.185 9.069 1.00 0.00 N ATOM 280 CA GLU A 19 -9.461 -9.552 8.385 1.00 0.00 C ATOM 281 C GLU A 19 -9.194 -9.883 6.919 1.00 0.00 C ATOM 282 O GLU A 19 -8.340 -9.269 6.278 1.00 0.00 O ATOM 283 CB GLU A 19 -10.482 -8.417 8.485 1.00 0.00 C ATOM 284 CG GLU A 19 -10.857 -8.060 9.914 1.00 0.00 C ATOM 285 CD GLU A 19 -12.249 -8.531 10.287 1.00 0.00 C ATOM 286 OE1 GLU A 19 -12.763 -8.089 11.336 1.00 0.00 O ATOM 287 OE2 GLU A 19 -12.825 -9.342 9.531 1.00 0.00 O ATOM 0 H GLU A 19 -7.703 -8.433 8.621 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.866 -10.439 8.872 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.079 -7.532 7.992 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.383 -8.701 7.942 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.132 -8.503 10.597 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.797 -6.979 10.042 1.00 0.00 H new ATOM 294 N LYS A 20 -9.929 -10.857 6.396 1.00 0.00 N ATOM 295 CA LYS A 20 -9.773 -11.271 5.006 1.00 0.00 C ATOM 296 C LYS A 20 -9.428 -10.079 4.119 1.00 0.00 C ATOM 297 O LYS A 20 -9.975 -8.989 4.286 1.00 0.00 O ATOM 298 CB LYS A 20 -11.056 -11.938 4.505 1.00 0.00 C ATOM 299 CG LYS A 20 -10.841 -13.341 3.963 1.00 0.00 C ATOM 300 CD LYS A 20 -11.144 -13.418 2.476 1.00 0.00 C ATOM 301 CE LYS A 20 -10.656 -14.726 1.874 1.00 0.00 C ATOM 302 NZ LYS A 20 -10.349 -15.738 2.923 1.00 0.00 N ATOM 0 H LYS A 20 -10.639 -11.375 6.913 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.954 -11.988 4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.777 -11.980 5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.496 -11.319 3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.810 -13.647 4.141 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.479 -14.042 4.502 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.218 -13.322 2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.670 -12.581 1.963 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.415 -15.121 1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.764 -14.540 1.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.167 -16.659 2.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.507 -15.440 3.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.158 -15.822 3.571 1.00 0.00 H new ATOM 316 N LEU A 21 -8.518 -10.295 3.175 1.00 0.00 N ATOM 317 CA LEU A 21 -8.100 -9.238 2.260 1.00 0.00 C ATOM 318 C LEU A 21 -9.258 -8.801 1.369 1.00 0.00 C ATOM 319 O LEU A 21 -9.137 -7.845 0.602 1.00 0.00 O ATOM 320 CB LEU A 21 -6.929 -9.715 1.399 1.00 0.00 C ATOM 321 CG LEU A 21 -5.537 -9.281 1.859 1.00 0.00 C ATOM 322 CD1 LEU A 21 -4.487 -9.687 0.836 1.00 0.00 C ATOM 323 CD2 LEU A 21 -5.499 -7.780 2.099 1.00 0.00 C ATOM 0 H LEU A 21 -8.056 -11.192 3.023 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.780 -8.382 2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.953 -10.804 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.082 -9.355 0.382 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.312 -9.784 2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.502 -9.370 1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.498 -10.770 0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.708 -9.212 -0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.501 -7.489 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.745 -7.257 1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.224 -7.516 2.869 1.00 0.00 H new ATOM 335 N SER A 22 -10.379 -9.506 1.475 1.00 0.00 N ATOM 336 CA SER A 22 -11.559 -9.193 0.677 1.00 0.00 C ATOM 337 C SER A 22 -12.624 -8.509 1.528 1.00 0.00 C ATOM 338 O SER A 22 -13.617 -7.997 1.010 1.00 0.00 O ATOM 339 CB SER A 22 -12.129 -10.466 0.049 1.00 0.00 C ATOM 340 OG SER A 22 -13.270 -10.917 0.758 1.00 0.00 O ATOM 0 H SER A 22 -10.495 -10.299 2.106 1.00 0.00 H new ATOM 0 HA SER A 22 -11.260 -8.509 -0.117 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.395 -10.275 -0.991 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.368 -11.246 0.045 1.00 0.00 H new ATOM 0 HG SER A 22 -13.617 -11.731 0.336 1.00 0.00 H new ATOM 346 N THR A 23 -12.413 -8.507 2.841 1.00 0.00 N ATOM 347 CA THR A 23 -13.354 -7.889 3.765 1.00 0.00 C ATOM 348 C THR A 23 -13.043 -6.409 3.961 1.00 0.00 C ATOM 349 O THR A 23 -13.394 -5.821 4.983 1.00 0.00 O ATOM 350 CB THR A 23 -13.338 -8.590 5.136 1.00 0.00 C ATOM 351 OG1 THR A 23 -12.542 -9.779 5.069 1.00 0.00 O ATOM 352 CG2 THR A 23 -14.749 -8.943 5.581 1.00 0.00 C ATOM 0 H THR A 23 -11.598 -8.927 3.288 1.00 0.00 H new ATOM 0 HA THR A 23 -14.345 -7.994 3.322 1.00 0.00 H new ATOM 0 HB THR A 23 -12.906 -7.904 5.865 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.296 -10.059 5.975 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.711 -9.437 6.552 1.00 0.00 H new ATOM 0 HG22 THR A 23 -15.344 -8.033 5.660 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.204 -9.612 4.851 1.00 0.00 H new ATOM 360 N ALA A 24 -12.382 -5.813 2.974 1.00 0.00 N ATOM 361 CA ALA A 24 -12.025 -4.401 3.036 1.00 0.00 C ATOM 362 C ALA A 24 -11.240 -4.089 4.305 1.00 0.00 C ATOM 363 O ALA A 24 -11.156 -4.915 5.214 1.00 0.00 O ATOM 364 CB ALA A 24 -13.275 -3.537 2.961 1.00 0.00 C ATOM 0 H ALA A 24 -12.083 -6.286 2.122 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.388 -4.175 2.181 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.994 -2.485 3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.796 -3.731 2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.932 -3.775 3.797 1.00 0.00 H new ATOM 370 N SER A 25 -10.665 -2.892 4.361 1.00 0.00 N ATOM 371 CA SER A 25 -9.882 -2.473 5.517 1.00 0.00 C ATOM 372 C SER A 25 -10.760 -2.371 6.760 1.00 0.00 C ATOM 373 O SER A 25 -11.873 -1.850 6.708 1.00 0.00 O ATOM 374 CB SER A 25 -9.209 -1.126 5.244 1.00 0.00 C ATOM 375 OG SER A 25 -9.164 -0.330 6.416 1.00 0.00 O ATOM 0 H SER A 25 -10.727 -2.195 3.619 1.00 0.00 H new ATOM 0 HA SER A 25 -9.114 -3.226 5.696 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.197 -1.290 4.873 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.753 -0.596 4.462 1.00 0.00 H new ATOM 0 HG SER A 25 -8.379 -0.576 6.949 1.00 0.00 H new ATOM 381 N GLY A 26 -10.250 -2.875 7.880 1.00 0.00 N ATOM 382 CA GLY A 26 -11.001 -2.833 9.122 1.00 0.00 C ATOM 383 C GLY A 26 -10.827 -1.520 9.859 1.00 0.00 C ATOM 384 O GLY A 26 -11.629 -1.179 10.730 1.00 0.00 O ATOM 0 H GLY A 26 -9.331 -3.311 7.950 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.059 -2.990 8.909 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.680 -3.653 9.765 1.00 0.00 H new ATOM 388 N TYR A 27 -9.779 -0.783 9.512 1.00 0.00 N ATOM 389 CA TYR A 27 -9.500 0.499 10.150 1.00 0.00 C ATOM 390 C TYR A 27 -10.271 1.626 9.469 1.00 0.00 C ATOM 391 O TYR A 27 -10.349 2.740 9.985 1.00 0.00 O ATOM 392 CB TYR A 27 -8.001 0.796 10.112 1.00 0.00 C ATOM 393 CG TYR A 27 -7.189 -0.066 11.052 1.00 0.00 C ATOM 394 CD1 TYR A 27 -7.782 -1.098 11.768 1.00 0.00 C ATOM 395 CD2 TYR A 27 -5.827 0.152 11.224 1.00 0.00 C ATOM 396 CE1 TYR A 27 -7.044 -1.888 12.629 1.00 0.00 C ATOM 397 CE2 TYR A 27 -5.080 -0.633 12.081 1.00 0.00 C ATOM 398 CZ TYR A 27 -5.694 -1.652 12.781 1.00 0.00 C ATOM 399 OH TYR A 27 -4.954 -2.435 13.637 1.00 0.00 O ATOM 0 H TYR A 27 -9.108 -1.051 8.792 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.825 0.437 11.189 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.636 0.653 9.095 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.840 1.844 10.364 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.839 -1.286 11.650 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.344 0.949 10.678 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.522 -2.685 13.179 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.022 -0.451 12.202 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.842 -3.328 13.249 1.00 0.00 H new ATOM 409 N SER A 28 -10.841 1.325 8.306 1.00 0.00 N ATOM 410 CA SER A 28 -11.604 2.312 7.552 1.00 0.00 C ATOM 411 C SER A 28 -12.617 3.018 8.448 1.00 0.00 C ATOM 412 O SER A 28 -13.036 4.141 8.167 1.00 0.00 O ATOM 413 CB SER A 28 -12.324 1.644 6.379 1.00 0.00 C ATOM 414 OG SER A 28 -12.632 2.586 5.366 1.00 0.00 O ATOM 0 H SER A 28 -10.789 0.406 7.866 1.00 0.00 H new ATOM 0 HA SER A 28 -10.906 3.055 7.166 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.697 0.853 5.966 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.241 1.172 6.732 1.00 0.00 H new ATOM 0 HG SER A 28 -12.882 3.439 5.778 1.00 0.00 H new ATOM 420 N ASP A 29 -13.006 2.351 9.530 1.00 0.00 N ATOM 421 CA ASP A 29 -13.969 2.913 10.470 1.00 0.00 C ATOM 422 C ASP A 29 -13.380 4.120 11.193 1.00 0.00 C ATOM 423 O ASP A 29 -14.089 5.079 11.500 1.00 0.00 O ATOM 424 CB ASP A 29 -14.400 1.854 11.486 1.00 0.00 C ATOM 425 CG ASP A 29 -15.817 1.368 11.248 1.00 0.00 C ATOM 426 OD1 ASP A 29 -16.758 2.166 11.440 1.00 0.00 O ATOM 427 OD2 ASP A 29 -15.983 0.190 10.872 1.00 0.00 O ATOM 0 H ASP A 29 -12.669 1.421 9.777 1.00 0.00 H new ATOM 0 HA ASP A 29 -14.843 3.240 9.906 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.715 1.007 11.437 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.325 2.267 12.492 1.00 0.00 H new ATOM 432 N VAL A 30 -12.080 4.066 11.464 1.00 0.00 N ATOM 433 CA VAL A 30 -11.395 5.154 12.152 1.00 0.00 C ATOM 434 C VAL A 30 -10.305 5.760 11.274 1.00 0.00 C ATOM 435 O VAL A 30 -9.611 6.690 11.682 1.00 0.00 O ATOM 436 CB VAL A 30 -10.768 4.676 13.475 1.00 0.00 C ATOM 437 CG1 VAL A 30 -11.818 4.617 14.574 1.00 0.00 C ATOM 438 CG2 VAL A 30 -10.104 3.319 13.288 1.00 0.00 C ATOM 0 H VAL A 30 -11.479 3.279 11.217 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.146 5.913 12.369 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.003 5.393 13.775 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.356 4.277 15.501 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.244 5.609 14.724 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -12.607 3.922 14.286 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.666 2.995 14.232 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.848 2.591 12.965 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.322 3.398 12.533 1.00 0.00 H new ATOM 448 N THR A 31 -10.162 5.226 10.066 1.00 0.00 N ATOM 449 CA THR A 31 -9.156 5.712 9.130 1.00 0.00 C ATOM 450 C THR A 31 -9.777 6.037 7.776 1.00 0.00 C ATOM 451 O THR A 31 -10.311 5.158 7.100 1.00 0.00 O ATOM 452 CB THR A 31 -8.029 4.682 8.930 1.00 0.00 C ATOM 453 OG1 THR A 31 -7.703 4.064 10.180 1.00 0.00 O ATOM 454 CG2 THR A 31 -6.789 5.342 8.345 1.00 0.00 C ATOM 0 H THR A 31 -10.730 4.456 9.712 1.00 0.00 H new ATOM 0 HA THR A 31 -8.735 6.620 9.562 1.00 0.00 H new ATOM 0 HB THR A 31 -8.380 3.923 8.231 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.810 3.664 10.124 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.007 4.594 8.213 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.034 5.785 7.380 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.437 6.120 9.023 1.00 0.00 H new ATOM 517 N LEU A 36 -6.124 5.857 -1.393 1.00 0.00 N ATOM 518 CA LEU A 36 -6.636 4.513 -1.639 1.00 0.00 C ATOM 519 C LEU A 36 -8.156 4.480 -1.520 1.00 0.00 C ATOM 520 O LEU A 36 -8.864 4.329 -2.515 1.00 0.00 O ATOM 521 CB LEU A 36 -6.014 3.521 -0.655 1.00 0.00 C ATOM 522 CG LEU A 36 -4.606 3.857 -0.163 1.00 0.00 C ATOM 523 CD1 LEU A 36 -3.819 4.575 -1.248 1.00 0.00 C ATOM 524 CD2 LEU A 36 -4.670 4.703 1.101 1.00 0.00 C ATOM 0 HA LEU A 36 -6.363 4.227 -2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.670 3.440 0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.987 2.539 -1.128 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.092 2.925 0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.819 4.806 -0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.743 3.934 -2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.330 5.500 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.659 4.933 1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.202 5.631 0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.195 4.152 1.881 1.00 0.00 H new ATOM 536 N GLY A 37 -8.653 4.624 -0.294 1.00 0.00 N ATOM 537 CA GLY A 37 -10.086 4.610 -0.069 1.00 0.00 C ATOM 538 C GLY A 37 -10.490 3.652 1.036 1.00 0.00 C ATOM 539 O GLY A 37 -10.857 4.077 2.131 1.00 0.00 O ATOM 0 H GLY A 37 -8.088 4.750 0.546 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.421 5.616 0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.593 4.330 -0.992 1.00 0.00 H new ATOM 543 N SER A 38 -10.422 2.357 0.747 1.00 0.00 N ATOM 544 CA SER A 38 -10.788 1.337 1.722 1.00 0.00 C ATOM 545 C SER A 38 -11.073 0.005 1.033 1.00 0.00 C ATOM 546 O SER A 38 -11.027 -1.054 1.660 1.00 0.00 O ATOM 547 CB SER A 38 -12.013 1.782 2.523 1.00 0.00 C ATOM 548 OG SER A 38 -12.693 0.669 3.077 1.00 0.00 O ATOM 0 H SER A 38 -10.117 1.989 -0.154 1.00 0.00 H new ATOM 0 HA SER A 38 -9.948 1.202 2.403 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.704 2.457 3.321 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.690 2.341 1.877 1.00 0.00 H new ATOM 0 HG SER A 38 -13.052 0.910 3.957 1.00 0.00 H new ATOM 554 N LEU A 39 -11.370 0.067 -0.260 1.00 0.00 N ATOM 555 CA LEU A 39 -11.664 -1.133 -1.036 1.00 0.00 C ATOM 556 C LEU A 39 -10.607 -1.358 -2.112 1.00 0.00 C ATOM 557 O LEU A 39 -10.928 -1.703 -3.248 1.00 0.00 O ATOM 558 CB LEU A 39 -13.048 -1.022 -1.679 1.00 0.00 C ATOM 559 CG LEU A 39 -13.206 0.060 -2.748 1.00 0.00 C ATOM 560 CD1 LEU A 39 -13.514 -0.567 -4.099 1.00 0.00 C ATOM 561 CD2 LEU A 39 -14.297 1.045 -2.353 1.00 0.00 C ATOM 0 H LEU A 39 -11.414 0.935 -0.793 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.653 -1.986 -0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.298 -1.985 -2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -13.779 -0.836 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.265 0.605 -2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.623 0.218 -4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.699 -1.232 -4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.441 -1.137 -4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -14.395 1.808 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.243 0.515 -2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.035 1.518 -1.407 1.00 0.00 H new ATOM 573 N ALA A 40 -9.345 -1.162 -1.745 1.00 0.00 N ATOM 574 CA ALA A 40 -8.240 -1.348 -2.678 1.00 0.00 C ATOM 575 C ALA A 40 -7.136 -2.197 -2.058 1.00 0.00 C ATOM 576 O ALA A 40 -6.695 -1.938 -0.938 1.00 0.00 O ATOM 577 CB ALA A 40 -7.689 0.000 -3.117 1.00 0.00 C ATOM 0 H ALA A 40 -9.062 -0.874 -0.808 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.619 -1.876 -3.553 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.865 -0.153 -3.813 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.476 0.573 -3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.331 0.548 -2.245 1.00 0.00 H new ATOM 583 N VAL A 41 -6.693 -3.212 -2.794 1.00 0.00 N ATOM 584 CA VAL A 41 -5.640 -4.100 -2.317 1.00 0.00 C ATOM 585 C VAL A 41 -4.307 -3.777 -2.982 1.00 0.00 C ATOM 586 O VAL A 41 -4.258 -3.419 -4.157 1.00 0.00 O ATOM 587 CB VAL A 41 -5.989 -5.576 -2.580 1.00 0.00 C ATOM 588 CG1 VAL A 41 -5.560 -6.444 -1.406 1.00 0.00 C ATOM 589 CG2 VAL A 41 -7.477 -5.732 -2.853 1.00 0.00 C ATOM 0 H VAL A 41 -7.047 -3.439 -3.723 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.554 -3.941 -1.242 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.444 -5.907 -3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.815 -7.484 -1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.483 -6.356 -1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.074 -6.115 -0.503 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.705 -6.782 -3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.044 -5.383 -1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.750 -5.143 -3.728 1.00 0.00 H new ATOM 599 N GLY A 42 -3.224 -3.908 -2.221 1.00 0.00 N ATOM 600 CA GLY A 42 -1.903 -3.627 -2.753 1.00 0.00 C ATOM 601 C GLY A 42 -0.948 -4.790 -2.577 1.00 0.00 C ATOM 602 O GLY A 42 -1.290 -5.794 -1.951 1.00 0.00 O ATOM 0 H GLY A 42 -3.238 -4.204 -1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.985 -3.386 -3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.494 -2.747 -2.256 1.00 0.00 H new ATOM 606 N HIS A 43 0.251 -4.658 -3.133 1.00 0.00 N ATOM 607 CA HIS A 43 1.260 -5.708 -3.036 1.00 0.00 C ATOM 608 C HIS A 43 2.664 -5.126 -3.167 1.00 0.00 C ATOM 609 O HIS A 43 3.278 -5.193 -4.233 1.00 0.00 O ATOM 610 CB HIS A 43 1.030 -6.765 -4.115 1.00 0.00 C ATOM 611 CG HIS A 43 1.952 -7.942 -4.006 1.00 0.00 C ATOM 612 ND1 HIS A 43 1.615 -9.204 -4.449 1.00 0.00 N ATOM 613 CD2 HIS A 43 3.203 -8.042 -3.502 1.00 0.00 C ATOM 614 CE1 HIS A 43 2.621 -10.030 -4.220 1.00 0.00 C ATOM 615 NE2 HIS A 43 3.597 -9.351 -3.647 1.00 0.00 N ATOM 0 H HIS A 43 0.549 -3.834 -3.656 1.00 0.00 H new ATOM 0 HA HIS A 43 1.170 -6.175 -2.055 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.001 -7.114 -4.056 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.155 -6.305 -5.095 1.00 0.00 H new ATOM 0 HD1 HIS A 43 0.729 -9.460 -4.885 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.784 -7.242 -3.067 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.641 -11.083 -4.461 1.00 0.00 H new ATOM 623 N LEU A 44 3.167 -4.555 -2.078 1.00 0.00 N ATOM 624 CA LEU A 44 4.500 -3.961 -2.071 1.00 0.00 C ATOM 625 C LEU A 44 5.451 -4.748 -2.968 1.00 0.00 C ATOM 626 O LEU A 44 5.836 -5.873 -2.647 1.00 0.00 O ATOM 627 CB LEU A 44 5.049 -3.909 -0.644 1.00 0.00 C ATOM 628 CG LEU A 44 5.650 -2.574 -0.205 1.00 0.00 C ATOM 629 CD1 LEU A 44 6.212 -1.822 -1.401 1.00 0.00 C ATOM 630 CD2 LEU A 44 4.608 -1.732 0.515 1.00 0.00 C ATOM 0 H LEU A 44 2.672 -4.491 -1.188 1.00 0.00 H new ATOM 0 HA LEU A 44 4.422 -2.946 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.243 -4.166 0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.813 -4.680 -0.542 1.00 0.00 H new ATOM 0 HG LEU A 44 6.467 -2.776 0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.635 -0.874 -1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.990 -2.421 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.414 -1.631 -2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.053 -0.785 0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.770 -1.540 -0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.253 -2.267 1.396 1.00 0.00 H new ATOM 642 N THR A 45 5.829 -4.147 -4.092 1.00 0.00 N ATOM 643 CA THR A 45 6.737 -4.791 -5.033 1.00 0.00 C ATOM 644 C THR A 45 8.173 -4.755 -4.525 1.00 0.00 C ATOM 645 O THR A 45 9.105 -5.132 -5.236 1.00 0.00 O ATOM 646 CB THR A 45 6.678 -4.119 -6.419 1.00 0.00 C ATOM 647 OG1 THR A 45 7.709 -3.132 -6.529 1.00 0.00 O ATOM 648 CG2 THR A 45 5.321 -3.469 -6.647 1.00 0.00 C ATOM 0 H THR A 45 5.521 -3.216 -4.373 1.00 0.00 H new ATOM 0 HA THR A 45 6.413 -5.828 -5.125 1.00 0.00 H new ATOM 0 HB THR A 45 6.828 -4.887 -7.178 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.666 -2.711 -7.413 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.302 -3.001 -7.631 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.540 -4.228 -6.591 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.147 -2.712 -5.882 1.00 0.00 H new ATOM 656 N LYS A 46 8.347 -4.299 -3.289 1.00 0.00 N ATOM 657 CA LYS A 46 9.670 -4.216 -2.683 1.00 0.00 C ATOM 658 C LYS A 46 10.026 -5.516 -1.970 1.00 0.00 C ATOM 659 O LYS A 46 11.166 -5.977 -2.028 1.00 0.00 O ATOM 660 CB LYS A 46 9.729 -3.047 -1.695 1.00 0.00 C ATOM 661 CG LYS A 46 10.944 -3.082 -0.784 1.00 0.00 C ATOM 662 CD LYS A 46 12.197 -2.621 -1.508 1.00 0.00 C ATOM 663 CE LYS A 46 13.457 -3.040 -0.764 1.00 0.00 C ATOM 664 NZ LYS A 46 14.445 -1.930 -0.676 1.00 0.00 N ATOM 0 H LYS A 46 7.587 -3.981 -2.687 1.00 0.00 H new ATOM 0 HA LYS A 46 10.396 -4.049 -3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.730 -2.110 -2.253 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.827 -3.053 -1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.768 -2.445 0.083 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.091 -4.095 -0.410 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.212 -3.039 -2.515 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.179 -1.536 -1.614 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.192 -3.371 0.240 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.912 -3.891 -1.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.288 -2.256 -0.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.717 -1.631 -1.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.020 -1.127 -0.170 1.00 0.00 H new ATOM 678 N CYS A 47 9.042 -6.104 -1.297 1.00 0.00 N ATOM 679 CA CYS A 47 9.250 -7.353 -0.573 1.00 0.00 C ATOM 680 C CYS A 47 8.251 -8.415 -1.023 1.00 0.00 C ATOM 681 O CYS A 47 8.428 -9.603 -0.751 1.00 0.00 O ATOM 682 CB CYS A 47 9.121 -7.121 0.933 1.00 0.00 C ATOM 683 SG CYS A 47 7.623 -6.205 1.419 1.00 0.00 S ATOM 0 H CYS A 47 8.093 -5.736 -1.238 1.00 0.00 H new ATOM 0 HA CYS A 47 10.256 -7.709 -0.794 1.00 0.00 H new ATOM 0 HB2 CYS A 47 9.124 -8.086 1.440 1.00 0.00 H new ATOM 0 HB3 CYS A 47 9.997 -6.575 1.282 1.00 0.00 H new ATOM 0 HG CYS A 47 7.406 -6.371 2.690 1.00 0.00 H new ATOM 688 N SER A 48 7.202 -7.979 -1.712 1.00 0.00 N ATOM 689 CA SER A 48 6.172 -8.891 -2.197 1.00 0.00 C ATOM 690 C SER A 48 5.149 -9.186 -1.104 1.00 0.00 C ATOM 691 O SER A 48 4.694 -10.319 -0.953 1.00 0.00 O ATOM 692 CB SER A 48 6.805 -10.196 -2.684 1.00 0.00 C ATOM 693 OG SER A 48 8.036 -9.951 -3.342 1.00 0.00 O ATOM 0 H SER A 48 7.042 -6.999 -1.947 1.00 0.00 H new ATOM 0 HA SER A 48 5.659 -8.411 -3.030 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.968 -10.863 -1.837 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.121 -10.704 -3.363 1.00 0.00 H new ATOM 0 HG SER A 48 8.769 -9.999 -2.693 1.00 0.00 H new ATOM 699 N HIS A 49 4.793 -8.156 -0.342 1.00 0.00 N ATOM 700 CA HIS A 49 3.823 -8.303 0.737 1.00 0.00 C ATOM 701 C HIS A 49 2.532 -7.556 0.413 1.00 0.00 C ATOM 702 O HIS A 49 2.560 -6.393 0.011 1.00 0.00 O ATOM 703 CB HIS A 49 4.409 -7.786 2.051 1.00 0.00 C ATOM 704 CG HIS A 49 5.668 -8.484 2.461 1.00 0.00 C ATOM 705 ND1 HIS A 49 6.022 -8.690 3.778 1.00 0.00 N ATOM 706 CD2 HIS A 49 6.662 -9.028 1.718 1.00 0.00 C ATOM 707 CE1 HIS A 49 7.178 -9.328 3.827 1.00 0.00 C ATOM 708 NE2 HIS A 49 7.587 -9.545 2.592 1.00 0.00 N ATOM 0 H HIS A 49 5.162 -7.211 -0.452 1.00 0.00 H new ATOM 0 HA HIS A 49 3.592 -9.363 0.843 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.610 -6.719 1.955 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.666 -7.901 2.840 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.717 -9.051 0.640 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.700 -9.622 4.726 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.450 -10.020 2.329 1.00 0.00 H new ATOM 716 N ALA A 50 1.403 -8.233 0.591 1.00 0.00 N ATOM 717 CA ALA A 50 0.102 -7.633 0.320 1.00 0.00 C ATOM 718 C ALA A 50 -0.638 -7.317 1.615 1.00 0.00 C ATOM 719 O ALA A 50 -0.261 -7.788 2.688 1.00 0.00 O ATOM 720 CB ALA A 50 -0.732 -8.556 -0.555 1.00 0.00 C ATOM 0 H ALA A 50 1.362 -9.197 0.922 1.00 0.00 H new ATOM 0 HA ALA A 50 0.266 -6.696 -0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.701 -8.096 -0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.215 -8.727 -1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.878 -9.508 -0.044 1.00 0.00 H new ATOM 726 N PHE A 51 -1.693 -6.516 1.508 1.00 0.00 N ATOM 727 CA PHE A 51 -2.486 -6.135 2.672 1.00 0.00 C ATOM 728 C PHE A 51 -3.429 -4.984 2.335 1.00 0.00 C ATOM 729 O PHE A 51 -3.290 -4.338 1.296 1.00 0.00 O ATOM 730 CB PHE A 51 -1.570 -5.736 3.830 1.00 0.00 C ATOM 731 CG PHE A 51 -0.214 -5.265 3.388 1.00 0.00 C ATOM 732 CD1 PHE A 51 0.904 -5.489 4.175 1.00 0.00 C ATOM 733 CD2 PHE A 51 -0.058 -4.595 2.185 1.00 0.00 C ATOM 734 CE1 PHE A 51 2.152 -5.057 3.771 1.00 0.00 C ATOM 735 CE2 PHE A 51 1.188 -4.161 1.775 1.00 0.00 C ATOM 736 CZ PHE A 51 2.294 -4.391 2.569 1.00 0.00 C ATOM 0 H PHE A 51 -2.019 -6.118 0.627 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.084 -6.996 2.970 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.050 -4.945 4.406 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.449 -6.589 4.498 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.798 -6.008 5.116 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.920 -4.410 1.561 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.015 -5.240 4.394 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.297 -3.642 0.834 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.268 -4.051 2.251 1.00 0.00 H new ATOM 746 N HIS A 52 -4.390 -4.737 3.219 1.00 0.00 N ATOM 747 CA HIS A 52 -5.357 -3.664 3.016 1.00 0.00 C ATOM 748 C HIS A 52 -4.659 -2.309 2.947 1.00 0.00 C ATOM 749 O HIS A 52 -4.296 -1.732 3.973 1.00 0.00 O ATOM 750 CB HIS A 52 -6.391 -3.661 4.143 1.00 0.00 C ATOM 751 CG HIS A 52 -7.402 -4.760 4.031 1.00 0.00 C ATOM 752 ND1 HIS A 52 -8.142 -5.215 5.102 1.00 0.00 N ATOM 753 CD2 HIS A 52 -7.795 -5.497 2.965 1.00 0.00 C ATOM 754 CE1 HIS A 52 -8.945 -6.183 4.701 1.00 0.00 C ATOM 755 NE2 HIS A 52 -8.754 -6.374 3.407 1.00 0.00 N ATOM 0 H HIS A 52 -4.520 -5.265 4.082 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.864 -3.840 2.068 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.875 -3.749 5.099 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.908 -2.702 4.148 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -8.079 -4.859 6.056 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.423 -5.411 1.955 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -9.640 -6.726 5.324 1.00 0.00 H new ATOM 763 N LEU A 53 -4.475 -1.806 1.732 1.00 0.00 N ATOM 764 CA LEU A 53 -3.820 -0.518 1.527 1.00 0.00 C ATOM 765 C LEU A 53 -4.224 0.476 2.611 1.00 0.00 C ATOM 766 O LEU A 53 -3.382 0.971 3.360 1.00 0.00 O ATOM 767 CB LEU A 53 -4.170 0.041 0.148 1.00 0.00 C ATOM 768 CG LEU A 53 -3.795 -0.834 -1.048 1.00 0.00 C ATOM 769 CD1 LEU A 53 -4.757 -0.602 -2.202 1.00 0.00 C ATOM 770 CD2 LEU A 53 -2.362 -0.562 -1.481 1.00 0.00 C ATOM 0 H LEU A 53 -4.770 -2.270 0.873 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.743 -0.672 1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.244 0.225 0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.677 1.007 0.034 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.869 -1.879 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.474 -1.233 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.770 -0.850 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.717 0.445 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.113 -1.194 -2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.260 0.486 -1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.685 -0.782 -0.656 1.00 0.00 H new ATOM 782 N LEU A 54 -5.519 0.761 2.690 1.00 0.00 N ATOM 783 CA LEU A 54 -6.038 1.696 3.683 1.00 0.00 C ATOM 784 C LEU A 54 -5.435 1.420 5.057 1.00 0.00 C ATOM 785 O LEU A 54 -4.670 2.228 5.585 1.00 0.00 O ATOM 786 CB LEU A 54 -7.562 1.601 3.755 1.00 0.00 C ATOM 787 CG LEU A 54 -8.221 2.266 4.965 1.00 0.00 C ATOM 788 CD1 LEU A 54 -7.485 3.544 5.337 1.00 0.00 C ATOM 789 CD2 LEU A 54 -9.687 2.556 4.682 1.00 0.00 C ATOM 0 H LEU A 54 -6.229 0.358 2.079 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.757 2.704 3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.977 2.046 2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.841 0.547 3.748 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.164 1.579 5.809 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.967 4.004 6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.449 3.309 5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.510 4.236 4.496 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.139 3.029 5.554 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.767 3.224 3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -10.207 1.623 4.465 1.00 0.00 H new ATOM 801 N CYS A 55 -5.782 0.272 5.630 1.00 0.00 N ATOM 802 CA CYS A 55 -5.275 -0.113 6.941 1.00 0.00 C ATOM 803 C CYS A 55 -3.812 0.293 7.099 1.00 0.00 C ATOM 804 O CYS A 55 -3.415 0.839 8.130 1.00 0.00 O ATOM 805 CB CYS A 55 -5.420 -1.622 7.145 1.00 0.00 C ATOM 806 SG CYS A 55 -7.145 -2.210 7.130 1.00 0.00 S ATOM 0 H CYS A 55 -6.413 -0.408 5.206 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.863 0.408 7.697 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.864 -2.139 6.363 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.962 -1.895 8.096 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.166 -3.498 7.308 1.00 0.00 H new ATOM 811 N LEU A 56 -3.015 0.024 6.071 1.00 0.00 N ATOM 812 CA LEU A 56 -1.595 0.361 6.094 1.00 0.00 C ATOM 813 C LEU A 56 -1.395 1.873 6.138 1.00 0.00 C ATOM 814 O LEU A 56 -0.764 2.400 7.054 1.00 0.00 O ATOM 815 CB LEU A 56 -0.892 -0.223 4.868 1.00 0.00 C ATOM 816 CG LEU A 56 -0.955 -1.744 4.719 1.00 0.00 C ATOM 817 CD1 LEU A 56 -0.870 -2.140 3.252 1.00 0.00 C ATOM 818 CD2 LEU A 56 0.159 -2.404 5.518 1.00 0.00 C ATOM 0 H LEU A 56 -3.327 -0.426 5.211 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.159 -0.071 6.995 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.327 0.228 3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.156 0.076 4.898 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.911 -2.090 5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.916 -3.226 3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.703 -1.696 2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.070 -1.782 2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.099 -3.486 5.401 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.125 -2.053 5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.052 -2.147 6.572 1.00 0.00 H new ATOM 830 N LEU A 57 -1.939 2.564 5.142 1.00 0.00 N ATOM 831 CA LEU A 57 -1.823 4.016 5.068 1.00 0.00 C ATOM 832 C LEU A 57 -1.909 4.642 6.457 1.00 0.00 C ATOM 833 O LEU A 57 -1.347 5.708 6.703 1.00 0.00 O ATOM 834 CB LEU A 57 -2.920 4.590 4.168 1.00 0.00 C ATOM 835 CG LEU A 57 -2.872 6.100 3.932 1.00 0.00 C ATOM 836 CD1 LEU A 57 -1.755 6.453 2.962 1.00 0.00 C ATOM 837 CD2 LEU A 57 -4.211 6.601 3.411 1.00 0.00 C ATOM 0 H LEU A 57 -2.464 2.143 4.376 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.849 4.256 4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.868 4.089 3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.887 4.341 4.604 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.668 6.591 4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.736 7.532 2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.799 6.129 3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.928 5.952 2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.159 7.678 3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.445 6.103 2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.990 6.382 4.141 1.00 0.00 H new ATOM 849 N ALA A 58 -2.616 3.970 7.359 1.00 0.00 N ATOM 850 CA ALA A 58 -2.772 4.458 8.724 1.00 0.00 C ATOM 851 C ALA A 58 -1.491 4.261 9.527 1.00 0.00 C ATOM 852 O ALA A 58 -1.056 5.158 10.250 1.00 0.00 O ATOM 853 CB ALA A 58 -3.937 3.756 9.406 1.00 0.00 C ATOM 0 H ALA A 58 -3.090 3.087 7.170 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.982 5.527 8.679 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.042 4.130 10.424 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.855 3.952 8.851 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.750 2.682 9.431 1.00 0.00 H new ATOM 859 N MET A 59 -0.891 3.082 9.396 1.00 0.00 N ATOM 860 CA MET A 59 0.341 2.769 10.111 1.00 0.00 C ATOM 861 C MET A 59 1.563 3.157 9.283 1.00 0.00 C ATOM 862 O MET A 59 2.694 3.106 9.767 1.00 0.00 O ATOM 863 CB MET A 59 0.394 1.278 10.452 1.00 0.00 C ATOM 864 CG MET A 59 0.074 0.374 9.272 1.00 0.00 C ATOM 865 SD MET A 59 1.205 0.612 7.888 1.00 0.00 S ATOM 866 CE MET A 59 2.680 -0.188 8.514 1.00 0.00 C ATOM 0 H MET A 59 -1.238 2.329 8.802 1.00 0.00 H new ATOM 0 HA MET A 59 0.352 3.346 11.036 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.388 1.034 10.827 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.310 1.073 11.258 1.00 0.00 H new ATOM 0 HG2 MET A 59 0.115 -0.666 9.595 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.946 0.565 8.939 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.458 0.558 8.675 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.452 -0.684 9.457 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.029 -0.926 7.791 1.00 0.00 H new ATOM 876 N TYR A 60 1.327 3.543 8.034 1.00 0.00 N ATOM 877 CA TYR A 60 2.409 3.936 7.138 1.00 0.00 C ATOM 878 C TYR A 60 3.024 5.262 7.578 1.00 0.00 C ATOM 879 O TYR A 60 4.124 5.619 7.153 1.00 0.00 O ATOM 880 CB TYR A 60 1.894 4.052 5.703 1.00 0.00 C ATOM 881 CG TYR A 60 2.255 5.358 5.033 1.00 0.00 C ATOM 882 CD1 TYR A 60 3.168 5.395 3.987 1.00 0.00 C ATOM 883 CD2 TYR A 60 1.684 6.555 5.448 1.00 0.00 C ATOM 884 CE1 TYR A 60 3.502 6.587 3.371 1.00 0.00 C ATOM 885 CE2 TYR A 60 2.011 7.751 4.837 1.00 0.00 C ATOM 886 CZ TYR A 60 2.920 7.761 3.800 1.00 0.00 C ATOM 887 OH TYR A 60 3.249 8.951 3.191 1.00 0.00 O ATOM 0 H TYR A 60 0.397 3.592 7.619 1.00 0.00 H new ATOM 0 HA TYR A 60 3.179 3.166 7.179 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.296 3.228 5.114 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.810 3.942 5.705 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.625 4.477 3.649 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.973 6.551 6.261 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.214 6.598 2.559 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.557 8.673 5.170 1.00 0.00 H new ATOM 0 HH TYR A 60 2.750 9.682 3.611 1.00 0.00 H new ATOM 897 N CYS A 61 2.309 5.985 8.431 1.00 0.00 N ATOM 898 CA CYS A 61 2.783 7.271 8.930 1.00 0.00 C ATOM 899 C CYS A 61 4.112 7.114 9.663 1.00 0.00 C ATOM 900 O CYS A 61 4.773 8.099 9.990 1.00 0.00 O ATOM 901 CB CYS A 61 1.744 7.896 9.861 1.00 0.00 C ATOM 902 SG CYS A 61 0.812 9.258 9.120 1.00 0.00 S ATOM 0 H CYS A 61 1.398 5.703 8.792 1.00 0.00 H new ATOM 0 HA CYS A 61 2.936 7.930 8.075 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.045 7.122 10.179 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.247 8.259 10.757 1.00 0.00 H new ATOM 0 HG CYS A 61 -0.043 9.719 9.984 1.00 0.00 H new ATOM 908 N ASN A 62 4.495 5.867 9.920 1.00 0.00 N ATOM 909 CA ASN A 62 5.744 5.581 10.617 1.00 0.00 C ATOM 910 C ASN A 62 6.855 5.246 9.627 1.00 0.00 C ATOM 911 O ASN A 62 7.895 5.902 9.598 1.00 0.00 O ATOM 912 CB ASN A 62 5.551 4.420 11.596 1.00 0.00 C ATOM 913 CG ASN A 62 5.444 4.890 13.034 1.00 0.00 C ATOM 914 OD1 ASN A 62 6.335 4.644 13.847 1.00 0.00 O ATOM 915 ND2 ASN A 62 4.349 5.570 13.355 1.00 0.00 N ATOM 0 H ASN A 62 3.959 5.040 9.657 1.00 0.00 H new ATOM 0 HA ASN A 62 6.034 6.473 11.173 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.650 3.868 11.329 1.00 0.00 H new ATOM 0 HB3 ASN A 62 6.388 3.727 11.504 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.221 5.911 14.308 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.636 5.751 12.649 1.00 0.00 H new ATOM 922 N GLY A 63 6.627 4.217 8.815 1.00 0.00 N ATOM 923 CA GLY A 63 7.617 3.812 7.835 1.00 0.00 C ATOM 924 C GLY A 63 7.195 4.139 6.417 1.00 0.00 C ATOM 925 O GLY A 63 6.096 4.641 6.188 1.00 0.00 O ATOM 0 H GLY A 63 5.774 3.657 8.819 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.563 4.307 8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.791 2.739 7.921 1.00 0.00 H new ATOM 929 N ASN A 64 8.073 3.854 5.459 1.00 0.00 N ATOM 930 CA ASN A 64 7.785 4.122 4.055 1.00 0.00 C ATOM 931 C ASN A 64 6.938 5.382 3.904 1.00 0.00 C ATOM 932 O ASN A 64 5.844 5.344 3.340 1.00 0.00 O ATOM 933 CB ASN A 64 7.064 2.931 3.423 1.00 0.00 C ATOM 934 CG ASN A 64 8.027 1.916 2.837 1.00 0.00 C ATOM 935 OD1 ASN A 64 9.244 2.078 2.923 1.00 0.00 O ATOM 936 ND2 ASN A 64 7.484 0.864 2.235 1.00 0.00 N ATOM 0 H ASN A 64 8.988 3.438 5.630 1.00 0.00 H new ATOM 0 HA ASN A 64 8.733 4.279 3.540 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.442 2.446 4.175 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.396 3.288 2.639 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.082 0.149 1.820 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.469 0.771 2.188 1.00 0.00 H new ATOM 943 N LYS A 65 7.450 6.498 4.412 1.00 0.00 N ATOM 944 CA LYS A 65 6.743 7.770 4.333 1.00 0.00 C ATOM 945 C LYS A 65 7.118 8.523 3.060 1.00 0.00 C ATOM 946 O LYS A 65 8.213 9.074 2.953 1.00 0.00 O ATOM 947 CB LYS A 65 7.061 8.631 5.558 1.00 0.00 C ATOM 948 CG LYS A 65 5.845 9.327 6.144 1.00 0.00 C ATOM 949 CD LYS A 65 5.820 9.228 7.660 1.00 0.00 C ATOM 950 CE LYS A 65 6.493 10.428 8.308 1.00 0.00 C ATOM 951 NZ LYS A 65 7.099 10.080 9.623 1.00 0.00 N ATOM 0 H LYS A 65 8.353 6.547 4.883 1.00 0.00 H new ATOM 0 HA LYS A 65 5.673 7.561 4.310 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.515 8.003 6.325 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.801 9.382 5.282 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.847 10.376 5.847 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.938 8.882 5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.788 9.158 8.004 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.323 8.314 7.974 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.265 10.814 7.643 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.762 11.225 8.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.148 10.931 10.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.515 9.360 10.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.058 9.705 9.475 1.00 0.00 H new ATOM 965 N ASP A 66 6.201 8.543 2.099 1.00 0.00 N ATOM 966 CA ASP A 66 6.434 9.231 0.834 1.00 0.00 C ATOM 967 C ASP A 66 5.114 9.633 0.183 1.00 0.00 C ATOM 968 O ASP A 66 5.012 10.692 -0.434 1.00 0.00 O ATOM 969 CB ASP A 66 7.234 8.339 -0.115 1.00 0.00 C ATOM 970 CG ASP A 66 8.156 9.135 -1.019 1.00 0.00 C ATOM 971 OD1 ASP A 66 8.284 8.769 -2.207 1.00 0.00 O ATOM 972 OD2 ASP A 66 8.746 10.125 -0.540 1.00 0.00 O ATOM 0 H ASP A 66 5.290 8.091 2.172 1.00 0.00 H new ATOM 0 HA ASP A 66 7.007 10.135 1.040 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.823 7.631 0.467 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.546 7.755 -0.726 1.00 0.00 H new ATOM 977 N GLY A 67 4.105 8.779 0.325 1.00 0.00 N ATOM 978 CA GLY A 67 2.806 9.062 -0.255 1.00 0.00 C ATOM 979 C GLY A 67 2.113 7.813 -0.761 1.00 0.00 C ATOM 980 O GLY A 67 1.489 7.828 -1.823 1.00 0.00 O ATOM 0 H GLY A 67 4.165 7.896 0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.176 9.546 0.491 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.925 9.767 -1.078 1.00 0.00 H new ATOM 984 N SER A 68 2.223 6.728 -0.002 1.00 0.00 N ATOM 985 CA SER A 68 1.604 5.462 -0.382 1.00 0.00 C ATOM 986 C SER A 68 1.228 4.649 0.851 1.00 0.00 C ATOM 987 O SER A 68 0.119 4.766 1.374 1.00 0.00 O ATOM 988 CB SER A 68 2.553 4.655 -1.271 1.00 0.00 C ATOM 989 OG SER A 68 3.881 5.139 -1.171 1.00 0.00 O ATOM 0 H SER A 68 2.735 6.699 0.880 1.00 0.00 H new ATOM 0 HA SER A 68 0.694 5.683 -0.940 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.523 3.605 -0.981 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.220 4.709 -2.307 1.00 0.00 H new ATOM 0 HG SER A 68 4.468 4.606 -1.747 1.00 0.00 H new ATOM 995 N LEU A 69 2.161 3.823 1.314 1.00 0.00 N ATOM 996 CA LEU A 69 1.929 2.988 2.488 1.00 0.00 C ATOM 997 C LEU A 69 3.214 2.288 2.921 1.00 0.00 C ATOM 998 O LEU A 69 4.265 2.467 2.307 1.00 0.00 O ATOM 999 CB LEU A 69 0.844 1.950 2.193 1.00 0.00 C ATOM 1000 CG LEU A 69 1.177 0.920 1.113 1.00 0.00 C ATOM 1001 CD1 LEU A 69 1.432 1.606 -0.219 1.00 0.00 C ATOM 1002 CD2 LEU A 69 2.381 0.084 1.526 1.00 0.00 C ATOM 0 H LEU A 69 3.084 3.714 0.895 1.00 0.00 H new ATOM 0 HA LEU A 69 1.596 3.632 3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.617 1.418 3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.064 2.476 1.898 1.00 0.00 H new ATOM 0 HG LEU A 69 0.322 0.255 0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.667 0.857 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.542 2.158 -0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.270 2.296 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.604 -0.644 0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.243 0.735 1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.159 -0.438 2.457 1.00 0.00 H new ATOM 1014 N GLN A 70 3.119 1.492 3.981 1.00 0.00 N ATOM 1015 CA GLN A 70 4.273 0.765 4.495 1.00 0.00 C ATOM 1016 C GLN A 70 3.909 -0.681 4.812 1.00 0.00 C ATOM 1017 O GLN A 70 2.761 -0.987 5.133 1.00 0.00 O ATOM 1018 CB GLN A 70 4.820 1.452 5.748 1.00 0.00 C ATOM 1019 CG GLN A 70 6.118 0.849 6.257 1.00 0.00 C ATOM 1020 CD GLN A 70 6.261 0.955 7.762 1.00 0.00 C ATOM 1021 OE1 GLN A 70 5.687 1.845 8.390 1.00 0.00 O ATOM 1022 NE2 GLN A 70 7.030 0.045 8.350 1.00 0.00 N ATOM 0 H GLN A 70 2.255 1.334 4.500 1.00 0.00 H new ATOM 0 HA GLN A 70 5.043 0.766 3.724 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.980 2.508 5.532 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.070 1.398 6.538 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.166 -0.200 5.965 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.959 1.352 5.780 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.487 -0.675 7.790 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.164 0.066 9.361 1.00 0.00 H new ATOM 1031 N CYS A 71 4.894 -1.569 4.719 1.00 0.00 N ATOM 1032 CA CYS A 71 4.678 -2.984 4.994 1.00 0.00 C ATOM 1033 C CYS A 71 5.016 -3.313 6.445 1.00 0.00 C ATOM 1034 O CYS A 71 6.182 -3.378 6.838 1.00 0.00 O ATOM 1035 CB CYS A 71 5.526 -3.843 4.054 1.00 0.00 C ATOM 1036 SG CYS A 71 5.581 -5.607 4.505 1.00 0.00 S ATOM 0 H CYS A 71 5.850 -1.333 4.455 1.00 0.00 H new ATOM 0 HA CYS A 71 3.624 -3.205 4.825 1.00 0.00 H new ATOM 0 HB2 CYS A 71 5.134 -3.750 3.041 1.00 0.00 H new ATOM 0 HB3 CYS A 71 6.543 -3.451 4.039 1.00 0.00 H new ATOM 0 HG CYS A 71 6.818 -6.001 4.566 1.00 0.00 H new ATOM 1041 N PRO A 72 3.974 -3.526 7.262 1.00 0.00 N ATOM 1042 CA PRO A 72 4.134 -3.854 8.682 1.00 0.00 C ATOM 1043 C PRO A 72 4.711 -5.249 8.893 1.00 0.00 C ATOM 1044 O PRO A 72 5.369 -5.513 9.900 1.00 0.00 O ATOM 1045 CB PRO A 72 2.706 -3.777 9.227 1.00 0.00 C ATOM 1046 CG PRO A 72 1.836 -4.042 8.047 1.00 0.00 C ATOM 1047 CD PRO A 72 2.558 -3.465 6.861 1.00 0.00 C ATOM 0 HA PRO A 72 4.831 -3.180 9.180 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.542 -4.514 10.013 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.499 -2.798 9.659 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.668 -5.111 7.919 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.858 -3.578 8.172 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.371 -4.043 5.956 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.242 -2.442 6.656 1.00 0.00 H new ATOM 1055 N SER A 73 4.461 -6.139 7.938 1.00 0.00 N ATOM 1056 CA SER A 73 4.954 -7.509 8.022 1.00 0.00 C ATOM 1057 C SER A 73 6.449 -7.531 8.325 1.00 0.00 C ATOM 1058 O SER A 73 6.872 -7.995 9.385 1.00 0.00 O ATOM 1059 CB SER A 73 4.675 -8.254 6.715 1.00 0.00 C ATOM 1060 OG SER A 73 5.739 -9.134 6.395 1.00 0.00 O ATOM 0 H SER A 73 3.920 -5.936 7.097 1.00 0.00 H new ATOM 0 HA SER A 73 4.429 -8.009 8.836 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.746 -8.818 6.805 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.536 -7.537 5.906 1.00 0.00 H new ATOM 0 HG SER A 73 5.700 -9.362 5.443 1.00 0.00 H new ATOM 1066 N CYS A 74 7.244 -7.028 7.388 1.00 0.00 N ATOM 1067 CA CYS A 74 8.692 -6.989 7.552 1.00 0.00 C ATOM 1068 C CYS A 74 9.193 -5.550 7.624 1.00 0.00 C ATOM 1069 O CYS A 74 10.356 -5.270 7.332 1.00 0.00 O ATOM 1070 CB CYS A 74 9.377 -7.722 6.398 1.00 0.00 C ATOM 1071 SG CYS A 74 9.386 -6.795 4.829 1.00 0.00 S ATOM 0 H CYS A 74 6.910 -6.641 6.506 1.00 0.00 H new ATOM 0 HA CYS A 74 8.940 -7.488 8.489 1.00 0.00 H new ATOM 0 HB2 CYS A 74 10.406 -7.944 6.682 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.876 -8.677 6.240 1.00 0.00 H new ATOM 0 HG CYS A 74 9.988 -7.496 3.914 1.00 0.00 H new ATOM 1076 N LYS A 75 8.307 -4.640 8.013 1.00 0.00 N ATOM 1077 CA LYS A 75 8.658 -3.229 8.125 1.00 0.00 C ATOM 1078 C LYS A 75 9.411 -2.756 6.887 1.00 0.00 C ATOM 1079 O LYS A 75 10.566 -2.336 6.972 1.00 0.00 O ATOM 1080 CB LYS A 75 9.510 -2.992 9.375 1.00 0.00 C ATOM 1081 CG LYS A 75 9.381 -1.588 9.942 1.00 0.00 C ATOM 1082 CD LYS A 75 9.905 -0.544 8.969 1.00 0.00 C ATOM 1083 CE LYS A 75 9.756 0.863 9.529 1.00 0.00 C ATOM 1084 NZ LYS A 75 10.757 1.145 10.594 1.00 0.00 N ATOM 0 H LYS A 75 7.340 -4.854 8.256 1.00 0.00 H new ATOM 0 HA LYS A 75 7.735 -2.656 8.208 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.224 -3.712 10.142 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.556 -3.183 9.133 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.335 -1.381 10.171 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.932 -1.521 10.880 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.955 -0.741 8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.365 -0.621 8.025 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.869 1.588 8.723 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.751 0.989 9.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.622 2.113 10.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.633 0.469 11.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.716 1.050 10.203 1.00 0.00 H new ATOM 1098 N THR A 76 8.749 -2.822 5.736 1.00 0.00 N ATOM 1099 CA THR A 76 9.355 -2.400 4.479 1.00 0.00 C ATOM 1100 C THR A 76 8.699 -1.129 3.952 1.00 0.00 C ATOM 1101 O THR A 76 8.564 -0.165 4.704 1.00 0.00 O ATOM 1102 CB THR A 76 9.250 -3.501 3.407 1.00 0.00 C ATOM 1103 OG1 THR A 76 10.529 -4.115 3.209 1.00 0.00 O ATOM 1104 CG2 THR A 76 8.749 -2.929 2.090 1.00 0.00 C ATOM 0 H THR A 76 7.792 -3.164 5.648 1.00 0.00 H new ATOM 0 HA THR A 76 10.407 -2.204 4.686 1.00 0.00 H new ATOM 0 HB THR A 76 8.537 -4.249 3.755 1.00 0.00 H new ATOM 0 HG1 THR A 76 10.528 -5.009 3.611 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.683 -3.726 1.349 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.763 -2.488 2.237 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.441 -2.163 1.739 1.00 0.00 H new