USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 698 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 64 HIS : +bothHN:sc= 1.33 K(o=2,f=-10!) USER MOD Set 1.2: B 44 GLN : amide:sc= 0.669 K(o=2,f=-1.4) USER MOD Set 2.1: A 44 GLN : amide:sc= 0.727 K(o=2.4,f=-1.3) USER MOD Set 2.2: B 64 HIS : +bothHN:sc= 1.64 K(o=2.4,f=-10!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot -13:sc= 0.694 USER MOD Single : A 43 MET CE :methyl -151:sc= -1.95 (180deg=-2.4!) USER MOD Single : A 46 MET CE :methyl -159:sc= -2.01 (180deg=-4.46!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 170:sc= -0.0144 (180deg=-0.161) USER MOD Single : A 52 MET CE :methyl 138:sc= -4.14! (180deg=-5.49!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -30:sc= 0.0928 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.113 USER MOD Single : A 63 THR OG1 : rot 83:sc= 0.927 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0379 USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0267) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 TYR OH : rot -13:sc= 0.639 USER MOD Single : B 43 MET CE :methyl -153:sc= -1.96 (180deg=-2.44!) USER MOD Single : B 46 MET CE :methyl -155:sc= -2.03 (180deg=-4.27!) USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 LYS NZ :NH3+ 169:sc= -0.0173 (180deg=-0.153) USER MOD Single : B 52 MET CE :methyl 139:sc= -4.02! (180deg=-5.45!) USER MOD Single : B 53 SER OG : rot -21:sc= 0.0656 USER MOD Single : B 54 SER OG : rot -34:sc= 0.164 USER MOD Single : B 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 59 SER OG : rot 180:sc= 0.0797 USER MOD Single : B 63 THR OG1 : rot 84:sc= 0.952 USER MOD Single : B 74 SER OG : rot 180:sc= -0.0288 USER MOD Single : B 78 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0296) USER MOD ----------------------------------------------------------------- ATOM 130 N THR A 38 12.196 -6.109 -4.657 1.00 0.97 N ATOM 131 CA THR A 38 13.648 -6.082 -4.738 1.00 0.83 C ATOM 132 C THR A 38 14.205 -4.963 -3.846 1.00 0.72 C ATOM 133 O THR A 38 13.427 -4.221 -3.246 1.00 0.65 O ATOM 134 CB THR A 38 14.086 -5.852 -6.197 1.00 0.79 C ATOM 135 OG1 THR A 38 13.414 -4.700 -6.727 1.00 0.85 O ATOM 136 CG2 THR A 38 13.774 -7.068 -7.057 1.00 0.95 C ATOM 0 HA THR A 38 14.039 -7.039 -4.392 1.00 0.83 H new ATOM 0 HB THR A 38 15.164 -5.688 -6.211 1.00 0.79 H new ATOM 0 HG1 THR A 38 13.695 -4.555 -7.655 1.00 0.85 H new ATOM 0 HG21 THR A 38 14.093 -6.880 -8.082 1.00 0.95 H new ATOM 0 HG22 THR A 38 14.304 -7.936 -6.665 1.00 0.95 H new ATOM 0 HG23 THR A 38 12.701 -7.260 -7.040 1.00 0.95 H new ATOM 144 N PRO A 39 15.537 -4.825 -3.703 1.00 0.74 N ATOM 145 CA PRO A 39 16.118 -3.701 -2.959 1.00 0.70 C ATOM 146 C PRO A 39 15.703 -2.348 -3.533 1.00 0.62 C ATOM 147 O PRO A 39 15.309 -1.457 -2.792 1.00 0.56 O ATOM 148 CB PRO A 39 17.623 -3.909 -3.096 1.00 0.78 C ATOM 149 CG PRO A 39 17.776 -5.365 -3.366 1.00 0.87 C ATOM 150 CD PRO A 39 16.576 -5.756 -4.183 1.00 0.83 C ATOM 0 HA PRO A 39 15.778 -3.684 -1.923 1.00 0.70 H new ATOM 0 HB2 PRO A 39 18.034 -3.310 -3.908 1.00 0.78 H new ATOM 0 HB3 PRO A 39 18.148 -3.617 -2.187 1.00 0.78 H new ATOM 0 HG2 PRO A 39 18.701 -5.568 -3.907 1.00 0.87 H new ATOM 0 HG3 PRO A 39 17.819 -5.933 -2.437 1.00 0.87 H new ATOM 0 HD2 PRO A 39 16.759 -5.642 -5.251 1.00 0.83 H new ATOM 0 HD3 PRO A 39 16.295 -6.796 -4.017 1.00 0.83 H new ATOM 158 N ASP A 40 15.774 -2.203 -4.856 1.00 0.66 N ATOM 159 CA ASP A 40 15.341 -0.969 -5.523 1.00 0.64 C ATOM 160 C ASP A 40 13.909 -0.638 -5.125 1.00 0.58 C ATOM 161 O ASP A 40 13.575 0.501 -4.795 1.00 0.58 O ATOM 162 CB ASP A 40 15.417 -1.123 -7.044 1.00 0.72 C ATOM 163 CG ASP A 40 16.822 -1.381 -7.546 1.00 1.44 C ATOM 164 OD1 ASP A 40 17.255 -2.554 -7.546 1.00 2.22 O ATOM 165 OD2 ASP A 40 17.495 -0.414 -7.956 1.00 2.15 O ATOM 0 H ASP A 40 16.126 -2.922 -5.489 1.00 0.66 H new ATOM 0 HA ASP A 40 16.005 -0.162 -5.213 1.00 0.64 H new ATOM 0 HB2 ASP A 40 14.771 -1.945 -7.353 1.00 0.72 H new ATOM 0 HB3 ASP A 40 15.030 -0.219 -7.514 1.00 0.72 H new ATOM 170 N TYR A 41 13.089 -1.676 -5.139 1.00 0.57 N ATOM 171 CA TYR A 41 11.697 -1.628 -4.714 1.00 0.54 C ATOM 172 C TYR A 41 11.593 -1.098 -3.282 1.00 0.46 C ATOM 173 O TYR A 41 10.721 -0.291 -2.960 1.00 0.43 O ATOM 174 CB TYR A 41 11.194 -3.068 -4.802 1.00 0.61 C ATOM 175 CG TYR A 41 9.741 -3.348 -4.493 1.00 0.63 C ATOM 176 CD1 TYR A 41 9.230 -3.246 -3.203 1.00 0.64 C ATOM 177 CD2 TYR A 41 8.904 -3.812 -5.494 1.00 0.83 C ATOM 178 CE1 TYR A 41 7.925 -3.605 -2.928 1.00 0.69 C ATOM 179 CE2 TYR A 41 7.597 -4.153 -5.230 1.00 0.88 C ATOM 180 CZ TYR A 41 7.114 -4.056 -3.948 1.00 0.73 C ATOM 181 OH TYR A 41 5.824 -4.447 -3.682 1.00 0.81 O ATOM 0 H TYR A 41 13.380 -2.601 -5.455 1.00 0.57 H new ATOM 0 HA TYR A 41 11.103 -0.959 -5.337 1.00 0.54 H new ATOM 0 HB2 TYR A 41 11.392 -3.427 -5.812 1.00 0.61 H new ATOM 0 HB3 TYR A 41 11.798 -3.672 -4.125 1.00 0.61 H new ATOM 0 HD1 TYR A 41 9.862 -2.881 -2.407 1.00 0.64 H new ATOM 0 HD2 TYR A 41 9.284 -3.908 -6.500 1.00 0.83 H new ATOM 0 HE1 TYR A 41 7.542 -3.533 -1.921 1.00 0.69 H new ATOM 0 HE2 TYR A 41 6.954 -4.495 -6.027 1.00 0.88 H new ATOM 0 HH TYR A 41 5.704 -4.544 -2.714 1.00 0.81 H new ATOM 191 N LEU A 42 12.523 -1.537 -2.443 1.00 0.44 N ATOM 192 CA LEU A 42 12.522 -1.201 -1.026 1.00 0.39 C ATOM 193 C LEU A 42 13.080 0.201 -0.788 1.00 0.37 C ATOM 194 O LEU A 42 12.686 0.878 0.158 1.00 0.34 O ATOM 195 CB LEU A 42 13.345 -2.235 -0.245 1.00 0.43 C ATOM 196 CG LEU A 42 13.528 -1.948 1.249 1.00 0.41 C ATOM 197 CD1 LEU A 42 12.186 -1.886 1.955 1.00 0.37 C ATOM 198 CD2 LEU A 42 14.420 -3.001 1.888 1.00 0.48 C ATOM 0 H LEU A 42 13.299 -2.136 -2.726 1.00 0.44 H new ATOM 0 HA LEU A 42 11.491 -1.216 -0.673 1.00 0.39 H new ATOM 0 HB2 LEU A 42 12.867 -3.209 -0.353 1.00 0.43 H new ATOM 0 HB3 LEU A 42 14.330 -2.310 -0.705 1.00 0.43 H new ATOM 0 HG LEU A 42 14.011 -0.976 1.353 1.00 0.41 H new ATOM 0 HD11 LEU A 42 12.341 -1.681 3.014 1.00 0.37 H new ATOM 0 HD12 LEU A 42 11.581 -1.092 1.517 1.00 0.37 H new ATOM 0 HD13 LEU A 42 11.671 -2.840 1.842 1.00 0.37 H new ATOM 0 HD21 LEU A 42 14.539 -2.782 2.949 1.00 0.48 H new ATOM 0 HD22 LEU A 42 13.964 -3.984 1.770 1.00 0.48 H new ATOM 0 HD23 LEU A 42 15.397 -2.993 1.404 1.00 0.48 H new ATOM 210 N MET A 43 13.966 0.654 -1.664 1.00 0.40 N ATOM 211 CA MET A 43 14.625 1.939 -1.473 1.00 0.40 C ATOM 212 C MET A 43 13.657 3.062 -1.806 1.00 0.37 C ATOM 213 O MET A 43 13.641 4.107 -1.151 1.00 0.36 O ATOM 214 CB MET A 43 15.884 2.051 -2.340 1.00 0.47 C ATOM 215 CG MET A 43 17.186 1.796 -1.613 1.00 0.63 C ATOM 216 SD MET A 43 17.633 0.048 -1.477 1.00 0.85 S ATOM 217 CE MET A 43 16.600 -0.519 -0.124 1.00 0.55 C ATOM 0 H MET A 43 14.244 0.155 -2.509 1.00 0.40 H new ATOM 0 HA MET A 43 14.930 2.019 -0.430 1.00 0.40 H new ATOM 0 HB2 MET A 43 15.802 1.344 -3.166 1.00 0.47 H new ATOM 0 HB3 MET A 43 15.919 3.049 -2.777 1.00 0.47 H new ATOM 0 HG2 MET A 43 17.987 2.325 -2.130 1.00 0.63 H new ATOM 0 HG3 MET A 43 17.119 2.221 -0.611 1.00 0.63 H new ATOM 0 HE1 MET A 43 17.095 -1.343 0.391 1.00 0.55 H new ATOM 0 HE2 MET A 43 16.435 0.300 0.576 1.00 0.55 H new ATOM 0 HE3 MET A 43 15.642 -0.859 -0.516 1.00 0.55 H new ATOM 227 N GLN A 44 12.834 2.816 -2.818 1.00 0.36 N ATOM 228 CA GLN A 44 11.770 3.740 -3.189 1.00 0.35 C ATOM 229 C GLN A 44 10.803 3.886 -2.025 1.00 0.30 C ATOM 230 O GLN A 44 10.351 4.984 -1.698 1.00 0.30 O ATOM 231 CB GLN A 44 11.020 3.215 -4.412 1.00 0.42 C ATOM 232 CG GLN A 44 11.889 3.068 -5.649 1.00 0.52 C ATOM 233 CD GLN A 44 11.202 2.283 -6.747 1.00 0.64 C ATOM 234 OE1 GLN A 44 9.975 2.280 -6.856 1.00 0.91 O ATOM 235 NE2 GLN A 44 11.989 1.610 -7.569 1.00 0.75 N ATOM 0 H GLN A 44 12.884 1.979 -3.399 1.00 0.36 H new ATOM 0 HA GLN A 44 12.206 4.709 -3.430 1.00 0.35 H new ATOM 0 HB2 GLN A 44 10.582 2.246 -4.170 1.00 0.42 H new ATOM 0 HB3 GLN A 44 10.195 3.890 -4.638 1.00 0.42 H new ATOM 0 HG2 GLN A 44 12.153 4.057 -6.024 1.00 0.52 H new ATOM 0 HG3 GLN A 44 12.820 2.570 -5.378 1.00 0.52 H new ATOM 0 HE21 GLN A 44 13.001 1.639 -7.444 1.00 0.75 H new ATOM 0 HE22 GLN A 44 11.584 1.062 -8.328 1.00 0.75 H new ATOM 244 N LEU A 45 10.516 2.753 -1.397 1.00 0.27 N ATOM 245 CA LEU A 45 9.635 2.696 -0.244 1.00 0.25 C ATOM 246 C LEU A 45 10.149 3.538 0.909 1.00 0.23 C ATOM 247 O LEU A 45 9.370 4.188 1.610 1.00 0.23 O ATOM 248 CB LEU A 45 9.495 1.256 0.226 1.00 0.29 C ATOM 249 CG LEU A 45 8.511 0.410 -0.562 1.00 0.32 C ATOM 250 CD1 LEU A 45 8.540 -1.031 -0.087 1.00 0.38 C ATOM 251 CD2 LEU A 45 7.122 0.987 -0.407 1.00 0.31 C ATOM 0 H LEU A 45 10.890 1.846 -1.676 1.00 0.27 H new ATOM 0 HA LEU A 45 8.669 3.095 -0.555 1.00 0.25 H new ATOM 0 HB2 LEU A 45 10.475 0.780 0.183 1.00 0.29 H new ATOM 0 HB3 LEU A 45 9.189 1.261 1.272 1.00 0.29 H new ATOM 0 HG LEU A 45 8.794 0.422 -1.615 1.00 0.32 H new ATOM 0 HD11 LEU A 45 7.827 -1.619 -0.665 1.00 0.38 H new ATOM 0 HD12 LEU A 45 9.542 -1.439 -0.223 1.00 0.38 H new ATOM 0 HD13 LEU A 45 8.272 -1.072 0.969 1.00 0.38 H new ATOM 0 HD21 LEU A 45 6.412 0.383 -0.971 1.00 0.31 H new ATOM 0 HD22 LEU A 45 6.843 0.986 0.647 1.00 0.31 H new ATOM 0 HD23 LEU A 45 7.109 2.009 -0.784 1.00 0.31 H new ATOM 263 N MET A 46 11.461 3.538 1.094 1.00 0.26 N ATOM 264 CA MET A 46 12.057 4.205 2.240 1.00 0.28 C ATOM 265 C MET A 46 11.847 5.700 2.161 1.00 0.27 C ATOM 266 O MET A 46 11.768 6.370 3.185 1.00 0.41 O ATOM 267 CB MET A 46 13.552 3.923 2.344 1.00 0.33 C ATOM 268 CG MET A 46 13.908 2.452 2.444 1.00 0.39 C ATOM 269 SD MET A 46 15.667 2.193 2.741 1.00 0.49 S ATOM 270 CE MET A 46 16.380 3.391 1.614 1.00 0.49 C ATOM 0 H MET A 46 12.129 3.086 0.469 1.00 0.26 H new ATOM 0 HA MET A 46 11.562 3.809 3.126 1.00 0.28 H new ATOM 0 HB2 MET A 46 14.050 4.346 1.472 1.00 0.33 H new ATOM 0 HB3 MET A 46 13.947 4.440 3.219 1.00 0.33 H new ATOM 0 HG2 MET A 46 13.334 1.996 3.251 1.00 0.39 H new ATOM 0 HG3 MET A 46 13.619 1.947 1.522 1.00 0.39 H new ATOM 0 HE1 MET A 46 17.412 3.116 1.396 1.00 0.49 H new ATOM 0 HE2 MET A 46 15.805 3.406 0.688 1.00 0.49 H new ATOM 0 HE3 MET A 46 16.357 4.380 2.072 1.00 0.49 H new ATOM 280 N ASN A 47 11.725 6.231 0.951 1.00 0.24 N ATOM 281 CA ASN A 47 11.601 7.665 0.783 1.00 0.30 C ATOM 282 C ASN A 47 10.140 8.069 0.905 1.00 0.26 C ATOM 283 O ASN A 47 9.826 9.162 1.364 1.00 0.27 O ATOM 284 CB ASN A 47 12.161 8.084 -0.580 1.00 0.42 C ATOM 285 CG ASN A 47 12.206 9.589 -0.769 1.00 0.80 C ATOM 286 OD1 ASN A 47 11.259 10.197 -1.270 1.00 1.61 O ATOM 287 ND2 ASN A 47 13.317 10.199 -0.386 1.00 1.42 N ATOM 0 H ASN A 47 11.710 5.694 0.084 1.00 0.24 H new ATOM 0 HA ASN A 47 12.173 8.170 1.561 1.00 0.30 H new ATOM 0 HB2 ASN A 47 13.167 7.680 -0.692 1.00 0.42 H new ATOM 0 HB3 ASN A 47 11.550 7.643 -1.368 1.00 0.42 H new ATOM 0 HD21 ASN A 47 13.411 11.208 -0.502 1.00 1.42 H new ATOM 0 HD22 ASN A 47 14.079 9.660 0.025 1.00 1.42 H new ATOM 294 N ASP A 48 9.250 7.148 0.543 1.00 0.24 N ATOM 295 CA ASP A 48 7.812 7.395 0.602 1.00 0.24 C ATOM 296 C ASP A 48 7.347 7.393 2.052 1.00 0.25 C ATOM 297 O ASP A 48 6.671 8.318 2.504 1.00 0.30 O ATOM 298 CB ASP A 48 7.034 6.319 -0.172 1.00 0.25 C ATOM 299 CG ASP A 48 7.086 6.470 -1.685 1.00 0.29 C ATOM 300 OD1 ASP A 48 7.769 7.385 -2.191 1.00 0.93 O ATOM 301 OD2 ASP A 48 6.425 5.667 -2.381 1.00 0.74 O ATOM 0 H ASP A 48 9.502 6.219 0.204 1.00 0.24 H new ATOM 0 HA ASP A 48 7.619 8.366 0.147 1.00 0.24 H new ATOM 0 HB2 ASP A 48 7.429 5.339 0.097 1.00 0.25 H new ATOM 0 HB3 ASP A 48 5.992 6.341 0.147 1.00 0.25 H new ATOM 306 N LYS A 49 7.732 6.343 2.779 1.00 0.22 N ATOM 307 CA LYS A 49 7.370 6.184 4.187 1.00 0.27 C ATOM 308 C LYS A 49 7.927 7.335 5.027 1.00 0.32 C ATOM 309 O LYS A 49 7.357 7.709 6.051 1.00 0.44 O ATOM 310 CB LYS A 49 7.901 4.849 4.720 1.00 0.31 C ATOM 311 CG LYS A 49 6.950 4.141 5.679 1.00 0.59 C ATOM 312 CD LYS A 49 6.703 4.945 6.944 1.00 0.92 C ATOM 313 CE LYS A 49 7.904 4.920 7.874 1.00 1.45 C ATOM 314 NZ LYS A 49 7.631 5.649 9.139 1.00 2.10 N ATOM 0 H LYS A 49 8.301 5.582 2.409 1.00 0.22 H new ATOM 0 HA LYS A 49 6.283 6.195 4.262 1.00 0.27 H new ATOM 0 HB2 LYS A 49 8.108 4.190 3.877 1.00 0.31 H new ATOM 0 HB3 LYS A 49 8.849 5.024 5.228 1.00 0.31 H new ATOM 0 HG2 LYS A 49 6.000 3.958 5.176 1.00 0.59 H new ATOM 0 HG3 LYS A 49 7.363 3.168 5.944 1.00 0.59 H new ATOM 0 HD2 LYS A 49 6.470 5.976 6.679 1.00 0.92 H new ATOM 0 HD3 LYS A 49 5.833 4.545 7.464 1.00 0.92 H new ATOM 0 HE2 LYS A 49 8.169 3.887 8.099 1.00 1.45 H new ATOM 0 HE3 LYS A 49 8.762 5.368 7.373 1.00 1.45 H new ATOM 0 HZ1 LYS A 49 8.472 5.612 9.750 1.00 2.10 H new ATOM 0 HZ2 LYS A 49 7.402 6.641 8.926 1.00 2.10 H new ATOM 0 HZ3 LYS A 49 6.828 5.206 9.629 1.00 2.10 H new ATOM 328 N LYS A 50 9.020 7.920 4.576 1.00 0.30 N ATOM 329 CA LYS A 50 9.639 9.009 5.310 1.00 0.37 C ATOM 330 C LYS A 50 9.020 10.328 4.887 1.00 0.39 C ATOM 331 O LYS A 50 8.777 11.205 5.717 1.00 0.43 O ATOM 332 CB LYS A 50 11.153 9.031 5.096 1.00 0.42 C ATOM 333 CG LYS A 50 11.883 7.914 5.830 1.00 1.14 C ATOM 334 CD LYS A 50 13.384 7.956 5.583 1.00 1.67 C ATOM 335 CE LYS A 50 14.006 9.260 6.065 1.00 2.35 C ATOM 336 NZ LYS A 50 13.792 9.479 7.520 1.00 3.05 N ATOM 0 H LYS A 50 9.496 7.663 3.711 1.00 0.30 H new ATOM 0 HA LYS A 50 9.460 8.855 6.374 1.00 0.37 H new ATOM 0 HB2 LYS A 50 11.363 8.953 4.029 1.00 0.42 H new ATOM 0 HB3 LYS A 50 11.546 9.992 5.429 1.00 0.42 H new ATOM 0 HG2 LYS A 50 11.689 7.996 6.899 1.00 1.14 H new ATOM 0 HG3 LYS A 50 11.489 6.950 5.507 1.00 1.14 H new ATOM 0 HD2 LYS A 50 13.859 7.118 6.093 1.00 1.67 H new ATOM 0 HD3 LYS A 50 13.580 7.833 4.518 1.00 1.67 H new ATOM 0 HE2 LYS A 50 15.075 9.251 5.854 1.00 2.35 H new ATOM 0 HE3 LYS A 50 13.578 10.093 5.507 1.00 2.35 H new ATOM 0 HZ1 LYS A 50 14.370 10.283 7.839 1.00 3.05 H new ATOM 0 HZ2 LYS A 50 12.788 9.683 7.696 1.00 3.05 H new ATOM 0 HZ3 LYS A 50 14.069 8.624 8.044 1.00 3.05 H new ATOM 350 N LEU A 51 8.754 10.458 3.593 1.00 0.38 N ATOM 351 CA LEU A 51 8.056 11.618 3.061 1.00 0.44 C ATOM 352 C LEU A 51 6.704 11.791 3.735 1.00 0.42 C ATOM 353 O LEU A 51 6.363 12.883 4.182 1.00 0.47 O ATOM 354 CB LEU A 51 7.850 11.475 1.552 1.00 0.48 C ATOM 355 CG LEU A 51 7.151 12.655 0.882 1.00 0.70 C ATOM 356 CD1 LEU A 51 8.064 13.866 0.855 1.00 1.10 C ATOM 357 CD2 LEU A 51 6.704 12.285 -0.520 1.00 1.22 C ATOM 0 H LEU A 51 9.014 9.767 2.889 1.00 0.38 H new ATOM 0 HA LEU A 51 8.670 12.496 3.261 1.00 0.44 H new ATOM 0 HB2 LEU A 51 8.822 11.332 1.080 1.00 0.48 H new ATOM 0 HB3 LEU A 51 7.268 10.573 1.364 1.00 0.48 H new ATOM 0 HG LEU A 51 6.265 12.908 1.464 1.00 0.70 H new ATOM 0 HD11 LEU A 51 7.550 14.698 0.374 1.00 1.10 H new ATOM 0 HD12 LEU A 51 8.330 14.144 1.875 1.00 1.10 H new ATOM 0 HD13 LEU A 51 8.969 13.627 0.297 1.00 1.10 H new ATOM 0 HD21 LEU A 51 6.208 13.139 -0.981 1.00 1.22 H new ATOM 0 HD22 LEU A 51 7.572 12.004 -1.116 1.00 1.22 H new ATOM 0 HD23 LEU A 51 6.010 11.446 -0.471 1.00 1.22 H new ATOM 369 N MET A 52 5.943 10.703 3.832 1.00 0.39 N ATOM 370 CA MET A 52 4.602 10.759 4.401 1.00 0.37 C ATOM 371 C MET A 52 4.666 11.098 5.889 1.00 0.41 C ATOM 372 O MET A 52 3.756 11.719 6.436 1.00 0.47 O ATOM 373 CB MET A 52 3.876 9.422 4.184 1.00 0.33 C ATOM 374 CG MET A 52 4.522 8.245 4.899 1.00 1.29 C ATOM 375 SD MET A 52 3.696 6.671 4.577 1.00 1.25 S ATOM 376 CE MET A 52 3.896 6.518 2.803 1.00 0.31 C ATOM 0 H MET A 52 6.233 9.775 3.524 1.00 0.39 H new ATOM 0 HA MET A 52 4.042 11.545 3.894 1.00 0.37 H new ATOM 0 HB2 MET A 52 2.845 9.520 4.525 1.00 0.33 H new ATOM 0 HB3 MET A 52 3.839 9.209 3.116 1.00 0.33 H new ATOM 0 HG2 MET A 52 5.565 8.170 4.591 1.00 1.29 H new ATOM 0 HG3 MET A 52 4.520 8.435 5.972 1.00 1.29 H new ATOM 0 HE1 MET A 52 4.158 5.490 2.554 1.00 0.31 H new ATOM 0 HE2 MET A 52 2.963 6.786 2.307 1.00 0.31 H new ATOM 0 HE3 MET A 52 4.690 7.186 2.467 1.00 0.31 H new ATOM 386 N SER A 53 5.758 10.699 6.531 1.00 0.40 N ATOM 387 CA SER A 53 5.980 10.996 7.939 1.00 0.47 C ATOM 388 C SER A 53 6.349 12.467 8.130 1.00 0.50 C ATOM 389 O SER A 53 6.316 12.990 9.245 1.00 0.62 O ATOM 390 CB SER A 53 7.086 10.092 8.491 1.00 0.52 C ATOM 391 OG SER A 53 7.232 10.241 9.893 1.00 1.15 O ATOM 0 H SER A 53 6.508 10.165 6.093 1.00 0.40 H new ATOM 0 HA SER A 53 5.057 10.805 8.487 1.00 0.47 H new ATOM 0 HB2 SER A 53 6.857 9.052 8.257 1.00 0.52 H new ATOM 0 HB3 SER A 53 8.029 10.329 7.999 1.00 0.52 H new ATOM 0 HG SER A 53 7.945 9.649 10.212 1.00 1.15 H new ATOM 397 N SER A 54 6.690 13.131 7.035 1.00 0.49 N ATOM 398 CA SER A 54 7.062 14.534 7.074 1.00 0.53 C ATOM 399 C SER A 54 5.892 15.386 6.584 1.00 0.53 C ATOM 400 O SER A 54 5.910 16.614 6.680 1.00 0.53 O ATOM 401 CB SER A 54 8.309 14.763 6.207 1.00 0.60 C ATOM 402 OG SER A 54 8.818 16.078 6.353 1.00 1.30 O ATOM 0 H SER A 54 6.716 12.715 6.104 1.00 0.49 H new ATOM 0 HA SER A 54 7.298 14.825 8.098 1.00 0.53 H new ATOM 0 HB2 SER A 54 9.080 14.043 6.481 1.00 0.60 H new ATOM 0 HB3 SER A 54 8.062 14.583 5.161 1.00 0.60 H new ATOM 0 HG SER A 54 8.082 16.693 6.552 1.00 1.30 H new ATOM 408 N LEU A 55 4.864 14.714 6.079 1.00 0.54 N ATOM 409 CA LEU A 55 3.685 15.386 5.553 1.00 0.57 C ATOM 410 C LEU A 55 2.570 15.394 6.594 1.00 0.65 C ATOM 411 O LEU A 55 2.000 14.347 6.903 1.00 0.65 O ATOM 412 CB LEU A 55 3.193 14.691 4.278 1.00 0.51 C ATOM 413 CG LEU A 55 4.177 14.676 3.105 1.00 0.53 C ATOM 414 CD1 LEU A 55 3.566 13.954 1.914 1.00 0.56 C ATOM 415 CD2 LEU A 55 4.584 16.090 2.719 1.00 0.64 C ATOM 0 H LEU A 55 4.825 13.696 6.023 1.00 0.54 H new ATOM 0 HA LEU A 55 3.958 16.414 5.313 1.00 0.57 H new ATOM 0 HB2 LEU A 55 2.935 13.661 4.525 1.00 0.51 H new ATOM 0 HB3 LEU A 55 2.275 15.180 3.951 1.00 0.51 H new ATOM 0 HG LEU A 55 5.073 14.140 3.417 1.00 0.53 H new ATOM 0 HD11 LEU A 55 4.276 13.951 1.087 1.00 0.56 H new ATOM 0 HD12 LEU A 55 3.329 12.927 2.193 1.00 0.56 H new ATOM 0 HD13 LEU A 55 2.654 14.466 1.607 1.00 0.56 H new ATOM 0 HD21 LEU A 55 5.283 16.052 1.884 1.00 0.64 H new ATOM 0 HD22 LEU A 55 3.700 16.656 2.427 1.00 0.64 H new ATOM 0 HD23 LEU A 55 5.061 16.576 3.570 1.00 0.64 H new ATOM 427 N PRO A 56 2.232 16.573 7.139 1.00 0.81 N ATOM 428 CA PRO A 56 1.202 16.691 8.170 1.00 0.94 C ATOM 429 C PRO A 56 -0.201 16.533 7.596 1.00 0.88 C ATOM 430 O PRO A 56 -1.156 16.257 8.323 1.00 1.19 O ATOM 431 CB PRO A 56 1.410 18.100 8.722 1.00 1.14 C ATOM 432 CG PRO A 56 2.019 18.866 7.599 1.00 1.26 C ATOM 433 CD PRO A 56 2.818 17.880 6.790 1.00 0.98 C ATOM 0 HA PRO A 56 1.286 15.913 8.929 1.00 0.94 H new ATOM 0 HB2 PRO A 56 0.466 18.544 9.037 1.00 1.14 H new ATOM 0 HB3 PRO A 56 2.064 18.090 9.594 1.00 1.14 H new ATOM 0 HG2 PRO A 56 1.249 19.335 6.987 1.00 1.26 H new ATOM 0 HG3 PRO A 56 2.657 19.665 7.976 1.00 1.26 H new ATOM 0 HD2 PRO A 56 2.736 18.081 5.722 1.00 0.98 H new ATOM 0 HD3 PRO A 56 3.878 17.922 7.042 1.00 0.98 H new ATOM 441 N ASN A 57 -0.316 16.693 6.283 1.00 0.63 N ATOM 442 CA ASN A 57 -1.596 16.523 5.616 1.00 0.62 C ATOM 443 C ASN A 57 -1.850 15.050 5.354 1.00 0.57 C ATOM 444 O ASN A 57 -2.995 14.603 5.332 1.00 0.59 O ATOM 445 CB ASN A 57 -1.660 17.301 4.299 1.00 0.68 C ATOM 446 CG ASN A 57 -1.718 18.802 4.505 1.00 1.32 C ATOM 447 OD1 ASN A 57 -2.793 19.372 4.684 1.00 2.22 O ATOM 448 ND2 ASN A 57 -0.569 19.456 4.464 1.00 1.73 N ATOM 0 H ASN A 57 0.457 16.939 5.665 1.00 0.63 H new ATOM 0 HA ASN A 57 -2.368 16.920 6.276 1.00 0.62 H new ATOM 0 HB2 ASN A 57 -0.787 17.055 3.695 1.00 0.68 H new ATOM 0 HB3 ASN A 57 -2.537 16.982 3.736 1.00 0.68 H new ATOM 0 HD21 ASN A 57 -0.554 20.469 4.583 1.00 1.73 H new ATOM 0 HD22 ASN A 57 0.302 18.947 4.313 1.00 1.73 H new ATOM 455 N PHE A 58 -0.766 14.301 5.179 1.00 0.62 N ATOM 456 CA PHE A 58 -0.847 12.874 4.890 1.00 0.70 C ATOM 457 C PHE A 58 -1.588 12.138 5.997 1.00 0.90 C ATOM 458 O PHE A 58 -2.540 11.396 5.735 1.00 1.77 O ATOM 459 CB PHE A 58 0.555 12.288 4.719 1.00 0.69 C ATOM 460 CG PHE A 58 0.571 10.791 4.621 1.00 0.65 C ATOM 461 CD1 PHE A 58 0.322 10.158 3.416 1.00 0.89 C ATOM 462 CD2 PHE A 58 0.828 10.016 5.740 1.00 1.13 C ATOM 463 CE1 PHE A 58 0.329 8.781 3.327 1.00 0.90 C ATOM 464 CE2 PHE A 58 0.838 8.642 5.658 1.00 1.15 C ATOM 465 CZ PHE A 58 0.587 8.022 4.448 1.00 0.69 C ATOM 0 H PHE A 58 0.186 14.663 5.233 1.00 0.62 H new ATOM 0 HA PHE A 58 -1.402 12.746 3.960 1.00 0.70 H new ATOM 0 HB2 PHE A 58 1.008 12.708 3.821 1.00 0.69 H new ATOM 0 HB3 PHE A 58 1.174 12.595 5.562 1.00 0.69 H new ATOM 0 HD1 PHE A 58 0.120 10.749 2.535 1.00 0.89 H new ATOM 0 HD2 PHE A 58 1.023 10.495 6.688 1.00 1.13 H new ATOM 0 HE1 PHE A 58 0.133 8.299 2.381 1.00 0.90 H new ATOM 0 HE2 PHE A 58 1.042 8.049 6.537 1.00 1.15 H new ATOM 0 HZ PHE A 58 0.593 6.944 4.381 1.00 0.69 H new ATOM 475 N SER A 59 -1.132 12.335 7.230 1.00 0.91 N ATOM 476 CA SER A 59 -1.776 11.752 8.397 1.00 1.02 C ATOM 477 C SER A 59 -3.134 12.405 8.654 1.00 1.10 C ATOM 478 O SER A 59 -3.306 13.177 9.598 1.00 1.84 O ATOM 479 CB SER A 59 -0.853 11.904 9.606 1.00 1.21 C ATOM 480 OG SER A 59 -0.114 13.116 9.527 1.00 1.84 O ATOM 0 H SER A 59 -0.311 12.900 7.445 1.00 0.91 H new ATOM 0 HA SER A 59 -1.957 10.692 8.218 1.00 1.02 H new ATOM 0 HB2 SER A 59 -1.442 11.891 10.523 1.00 1.21 H new ATOM 0 HB3 SER A 59 -0.168 11.058 9.655 1.00 1.21 H new ATOM 0 HG SER A 59 0.469 13.195 10.311 1.00 1.84 H new ATOM 486 N GLY A 60 -4.087 12.082 7.797 1.00 0.91 N ATOM 487 CA GLY A 60 -5.411 12.650 7.890 1.00 0.87 C ATOM 488 C GLY A 60 -6.201 12.423 6.620 1.00 0.66 C ATOM 489 O GLY A 60 -7.399 12.150 6.667 1.00 0.73 O ATOM 0 H GLY A 60 -3.962 11.425 7.027 1.00 0.91 H new ATOM 0 HA2 GLY A 60 -5.940 12.206 8.733 1.00 0.87 H new ATOM 0 HA3 GLY A 60 -5.336 13.719 8.087 1.00 0.87 H new ATOM 493 N ILE A 61 -5.530 12.531 5.478 1.00 0.50 N ATOM 494 CA ILE A 61 -6.195 12.336 4.196 1.00 0.54 C ATOM 495 C ILE A 61 -6.312 10.866 3.812 1.00 0.73 C ATOM 496 O ILE A 61 -7.328 10.456 3.260 1.00 1.81 O ATOM 497 CB ILE A 61 -5.510 13.109 3.044 1.00 0.58 C ATOM 498 CG1 ILE A 61 -3.991 12.884 3.036 1.00 0.64 C ATOM 499 CG2 ILE A 61 -5.835 14.592 3.132 1.00 0.79 C ATOM 500 CD1 ILE A 61 -3.263 13.695 1.984 1.00 0.78 C ATOM 0 H ILE A 61 -4.536 12.750 5.414 1.00 0.50 H new ATOM 0 HA ILE A 61 -7.197 12.740 4.338 1.00 0.54 H new ATOM 0 HB ILE A 61 -5.902 12.721 2.104 1.00 0.58 H new ATOM 0 HG12 ILE A 61 -3.590 13.135 4.018 1.00 0.64 H new ATOM 0 HG13 ILE A 61 -3.790 11.826 2.870 1.00 0.64 H new ATOM 0 HG21 ILE A 61 -5.345 15.121 2.314 1.00 0.79 H new ATOM 0 HG22 ILE A 61 -6.914 14.733 3.061 1.00 0.79 H new ATOM 0 HG23 ILE A 61 -5.479 14.987 4.084 1.00 0.79 H new ATOM 0 HD11 ILE A 61 -2.195 13.485 2.037 1.00 0.78 H new ATOM 0 HD12 ILE A 61 -3.636 13.427 0.996 1.00 0.78 H new ATOM 0 HD13 ILE A 61 -3.433 14.757 2.161 1.00 0.78 H new ATOM 512 N PHE A 62 -5.302 10.056 4.107 1.00 0.58 N ATOM 513 CA PHE A 62 -5.297 8.676 3.644 1.00 0.50 C ATOM 514 C PHE A 62 -5.523 7.716 4.805 1.00 0.51 C ATOM 515 O PHE A 62 -5.001 7.919 5.901 1.00 0.76 O ATOM 516 CB PHE A 62 -3.966 8.355 2.973 1.00 0.50 C ATOM 517 CG PHE A 62 -3.657 9.207 1.775 1.00 0.48 C ATOM 518 CD1 PHE A 62 -4.503 9.234 0.676 1.00 0.48 C ATOM 519 CD2 PHE A 62 -2.508 9.969 1.743 1.00 0.63 C ATOM 520 CE1 PHE A 62 -4.204 10.007 -0.427 1.00 0.53 C ATOM 521 CE2 PHE A 62 -2.204 10.745 0.647 1.00 0.68 C ATOM 522 CZ PHE A 62 -3.051 10.766 -0.440 1.00 0.59 C ATOM 0 H PHE A 62 -4.487 10.327 4.657 1.00 0.58 H new ATOM 0 HA PHE A 62 -6.107 8.555 2.925 1.00 0.50 H new ATOM 0 HB2 PHE A 62 -3.166 8.473 3.704 1.00 0.50 H new ATOM 0 HB3 PHE A 62 -3.969 7.308 2.669 1.00 0.50 H new ATOM 0 HD1 PHE A 62 -5.407 8.643 0.684 1.00 0.48 H new ATOM 0 HD2 PHE A 62 -1.837 9.957 2.589 1.00 0.63 H new ATOM 0 HE1 PHE A 62 -4.870 10.018 -1.277 1.00 0.53 H new ATOM 0 HE2 PHE A 62 -1.301 11.338 0.639 1.00 0.68 H new ATOM 0 HZ PHE A 62 -2.813 11.375 -1.300 1.00 0.59 H new ATOM 532 N THR A 63 -6.304 6.675 4.558 1.00 0.34 N ATOM 533 CA THR A 63 -6.634 5.699 5.582 1.00 0.38 C ATOM 534 C THR A 63 -5.648 4.525 5.589 1.00 0.30 C ATOM 535 O THR A 63 -4.988 4.259 6.591 1.00 0.38 O ATOM 536 CB THR A 63 -8.058 5.151 5.371 1.00 0.48 C ATOM 537 OG1 THR A 63 -8.953 6.226 5.043 1.00 0.78 O ATOM 538 CG2 THR A 63 -8.556 4.433 6.618 1.00 0.66 C ATOM 0 H THR A 63 -6.724 6.485 3.648 1.00 0.34 H new ATOM 0 HA THR A 63 -6.572 6.214 6.541 1.00 0.38 H new ATOM 0 HB THR A 63 -8.029 4.436 4.549 1.00 0.48 H new ATOM 0 HG1 THR A 63 -8.896 6.418 4.084 1.00 0.78 H new ATOM 0 HG21 THR A 63 -9.563 4.056 6.443 1.00 0.66 H new ATOM 0 HG22 THR A 63 -7.892 3.600 6.848 1.00 0.66 H new ATOM 0 HG23 THR A 63 -8.570 5.129 7.457 1.00 0.66 H new ATOM 546 N HIS A 64 -5.574 3.810 4.470 1.00 0.26 N ATOM 547 CA HIS A 64 -4.795 2.567 4.393 1.00 0.25 C ATOM 548 C HIS A 64 -3.367 2.779 3.902 1.00 0.25 C ATOM 549 O HIS A 64 -2.529 1.888 4.030 1.00 0.54 O ATOM 550 CB HIS A 64 -5.492 1.560 3.480 1.00 0.33 C ATOM 551 CG HIS A 64 -6.650 0.863 4.122 1.00 0.43 C ATOM 552 ND1 HIS A 64 -6.940 -0.464 3.905 1.00 0.86 N ATOM 553 CD2 HIS A 64 -7.590 1.315 4.982 1.00 0.71 C ATOM 554 CE1 HIS A 64 -8.006 -0.797 4.608 1.00 0.83 C ATOM 555 NE2 HIS A 64 -8.419 0.264 5.271 1.00 0.68 N ATOM 0 H HIS A 64 -6.042 4.066 3.601 1.00 0.26 H new ATOM 0 HA HIS A 64 -4.736 2.184 5.412 1.00 0.25 H new ATOM 0 HB2 HIS A 64 -5.841 2.076 2.585 1.00 0.33 H new ATOM 0 HB3 HIS A 64 -4.766 0.815 3.155 1.00 0.33 H new ATOM 0 HD1 HIS A 64 -6.414 -1.092 3.297 1.00 0.86 H new ATOM 0 HD2 HIS A 64 -7.672 2.320 5.370 1.00 0.71 H new ATOM 0 HE1 HIS A 64 -8.463 -1.775 4.635 1.00 0.83 H new ATOM 0 HE2 HIS A 64 -9.224 0.297 5.897 1.00 0.68 H new ATOM 564 N LEU A 65 -3.090 3.955 3.364 1.00 0.32 N ATOM 565 CA LEU A 65 -1.855 4.185 2.616 1.00 0.22 C ATOM 566 C LEU A 65 -0.599 4.045 3.483 1.00 0.20 C ATOM 567 O LEU A 65 0.353 3.374 3.085 1.00 0.24 O ATOM 568 CB LEU A 65 -1.896 5.557 1.928 1.00 0.29 C ATOM 569 CG LEU A 65 -2.735 5.629 0.636 1.00 0.36 C ATOM 570 CD1 LEU A 65 -2.196 4.672 -0.411 1.00 0.84 C ATOM 571 CD2 LEU A 65 -4.201 5.322 0.899 1.00 0.99 C ATOM 0 H LEU A 65 -3.701 4.769 3.429 1.00 0.32 H new ATOM 0 HA LEU A 65 -1.792 3.406 1.856 1.00 0.22 H new ATOM 0 HB2 LEU A 65 -2.288 6.287 2.636 1.00 0.29 H new ATOM 0 HB3 LEU A 65 -0.875 5.857 1.694 1.00 0.29 H new ATOM 0 HG LEU A 65 -2.660 6.651 0.263 1.00 0.36 H new ATOM 0 HD11 LEU A 65 -2.804 4.740 -1.313 1.00 0.84 H new ATOM 0 HD12 LEU A 65 -1.165 4.934 -0.647 1.00 0.84 H new ATOM 0 HD13 LEU A 65 -2.232 3.653 -0.026 1.00 0.84 H new ATOM 0 HD21 LEU A 65 -4.759 5.383 -0.035 1.00 0.99 H new ATOM 0 HD22 LEU A 65 -4.294 4.318 1.312 1.00 0.99 H new ATOM 0 HD23 LEU A 65 -4.602 6.045 1.609 1.00 0.99 H new ATOM 583 N GLU A 66 -0.600 4.648 4.669 1.00 0.30 N ATOM 584 CA GLU A 66 0.555 4.560 5.568 1.00 0.40 C ATOM 585 C GLU A 66 0.792 3.113 5.976 1.00 0.38 C ATOM 586 O GLU A 66 1.923 2.625 6.002 1.00 0.38 O ATOM 587 CB GLU A 66 0.326 5.401 6.824 1.00 0.53 C ATOM 588 CG GLU A 66 1.506 5.401 7.783 1.00 0.88 C ATOM 589 CD GLU A 66 1.177 6.052 9.108 1.00 1.12 C ATOM 590 OE1 GLU A 66 0.493 5.411 9.936 1.00 1.75 O ATOM 591 OE2 GLU A 66 1.606 7.204 9.341 1.00 1.75 O ATOM 0 H GLU A 66 -1.379 5.199 5.031 1.00 0.30 H new ATOM 0 HA GLU A 66 1.427 4.940 5.036 1.00 0.40 H new ATOM 0 HB2 GLU A 66 0.109 6.428 6.529 1.00 0.53 H new ATOM 0 HB3 GLU A 66 -0.555 5.027 7.346 1.00 0.53 H new ATOM 0 HG2 GLU A 66 1.829 4.374 7.957 1.00 0.88 H new ATOM 0 HG3 GLU A 66 2.344 5.925 7.323 1.00 0.88 H new ATOM 598 N ARG A 67 -0.301 2.432 6.268 1.00 0.42 N ATOM 599 CA ARG A 67 -0.270 1.057 6.726 1.00 0.44 C ATOM 600 C ARG A 67 0.317 0.132 5.664 1.00 0.39 C ATOM 601 O ARG A 67 1.051 -0.802 5.977 1.00 0.40 O ATOM 602 CB ARG A 67 -1.694 0.631 7.070 1.00 0.54 C ATOM 603 CG ARG A 67 -1.893 -0.848 7.193 1.00 0.74 C ATOM 604 CD ARG A 67 -3.357 -1.136 7.389 1.00 0.86 C ATOM 605 NE ARG A 67 -3.615 -2.552 7.404 1.00 1.08 N ATOM 606 CZ ARG A 67 -3.902 -3.252 6.312 1.00 1.45 C ATOM 607 NH1 ARG A 67 -3.861 -2.658 5.124 1.00 1.71 N ATOM 608 NH2 ARG A 67 -4.207 -4.540 6.397 1.00 2.07 N ATOM 0 H ARG A 67 -1.241 2.821 6.193 1.00 0.42 H new ATOM 0 HA ARG A 67 0.368 0.986 7.607 1.00 0.44 H new ATOM 0 HB2 ARG A 67 -1.982 1.102 8.010 1.00 0.54 H new ATOM 0 HB3 ARG A 67 -2.368 1.012 6.303 1.00 0.54 H new ATOM 0 HG2 ARG A 67 -1.528 -1.352 6.298 1.00 0.74 H new ATOM 0 HG3 ARG A 67 -1.318 -1.236 8.034 1.00 0.74 H new ATOM 0 HD2 ARG A 67 -3.695 -0.693 8.326 1.00 0.86 H new ATOM 0 HD3 ARG A 67 -3.932 -0.668 6.590 1.00 0.86 H new ATOM 0 HE ARG A 67 -3.576 -3.042 8.298 1.00 1.08 H new ATOM 0 HH11 ARG A 67 -3.611 -1.672 5.055 1.00 1.71 H new ATOM 0 HH12 ARG A 67 -4.080 -3.188 4.281 1.00 1.71 H new ATOM 0 HH21 ARG A 67 -4.223 -5.001 7.307 1.00 2.07 H new ATOM 0 HH22 ARG A 67 -4.426 -5.069 5.553 1.00 2.07 H new ATOM 622 N LEU A 68 -0.001 0.403 4.406 1.00 0.35 N ATOM 623 CA LEU A 68 0.456 -0.435 3.308 1.00 0.34 C ATOM 624 C LEU A 68 1.960 -0.326 3.081 1.00 0.31 C ATOM 625 O LEU A 68 2.556 -1.205 2.471 1.00 0.40 O ATOM 626 CB LEU A 68 -0.321 -0.114 2.038 1.00 0.33 C ATOM 627 CG LEU A 68 -1.658 -0.840 1.936 1.00 0.41 C ATOM 628 CD1 LEU A 68 -2.525 -0.230 0.853 1.00 0.37 C ATOM 629 CD2 LEU A 68 -1.420 -2.317 1.657 1.00 0.61 C ATOM 0 H LEU A 68 -0.574 1.197 4.121 1.00 0.35 H new ATOM 0 HA LEU A 68 0.260 -1.471 3.583 1.00 0.34 H new ATOM 0 HB2 LEU A 68 -0.497 0.961 1.993 1.00 0.33 H new ATOM 0 HB3 LEU A 68 0.290 -0.374 1.174 1.00 0.33 H new ATOM 0 HG LEU A 68 -2.184 -0.735 2.885 1.00 0.41 H new ATOM 0 HD11 LEU A 68 -3.473 -0.766 0.801 1.00 0.37 H new ATOM 0 HD12 LEU A 68 -2.713 0.818 1.085 1.00 0.37 H new ATOM 0 HD13 LEU A 68 -2.013 -0.303 -0.107 1.00 0.37 H new ATOM 0 HD21 LEU A 68 -2.378 -2.833 1.585 1.00 0.61 H new ATOM 0 HD22 LEU A 68 -0.877 -2.427 0.718 1.00 0.61 H new ATOM 0 HD23 LEU A 68 -0.835 -2.751 2.468 1.00 0.61 H new ATOM 641 N LEU A 69 2.584 0.718 3.606 1.00 0.27 N ATOM 642 CA LEU A 69 4.039 0.792 3.554 1.00 0.24 C ATOM 643 C LEU A 69 4.602 0.020 4.730 1.00 0.25 C ATOM 644 O LEU A 69 5.624 -0.667 4.632 1.00 0.26 O ATOM 645 CB LEU A 69 4.567 2.233 3.562 1.00 0.25 C ATOM 646 CG LEU A 69 4.625 2.932 2.196 1.00 0.23 C ATOM 647 CD1 LEU A 69 5.952 3.638 2.014 1.00 0.25 C ATOM 648 CD2 LEU A 69 4.397 1.948 1.061 1.00 0.30 C ATOM 0 H LEU A 69 2.123 1.506 4.061 1.00 0.27 H new ATOM 0 HA LEU A 69 4.365 0.355 2.610 1.00 0.24 H new ATOM 0 HB2 LEU A 69 3.938 2.826 4.226 1.00 0.25 H new ATOM 0 HB3 LEU A 69 5.569 2.230 3.990 1.00 0.25 H new ATOM 0 HG LEU A 69 3.825 3.672 2.170 1.00 0.23 H new ATOM 0 HD11 LEU A 69 5.973 4.127 1.040 1.00 0.25 H new ATOM 0 HD12 LEU A 69 6.077 4.385 2.798 1.00 0.25 H new ATOM 0 HD13 LEU A 69 6.762 2.911 2.073 1.00 0.25 H new ATOM 0 HD21 LEU A 69 4.444 2.475 0.108 1.00 0.30 H new ATOM 0 HD22 LEU A 69 5.167 1.177 1.088 1.00 0.30 H new ATOM 0 HD23 LEU A 69 3.416 1.486 1.172 1.00 0.30 H new ATOM 660 N ASP A 70 3.877 0.063 5.830 1.00 0.29 N ATOM 661 CA ASP A 70 4.304 -0.636 7.017 1.00 0.35 C ATOM 662 C ASP A 70 4.246 -2.127 6.744 1.00 0.38 C ATOM 663 O ASP A 70 5.105 -2.880 7.187 1.00 0.43 O ATOM 664 CB ASP A 70 3.430 -0.265 8.212 1.00 0.43 C ATOM 665 CG ASP A 70 3.895 -0.930 9.487 1.00 0.91 C ATOM 666 OD1 ASP A 70 4.890 -0.457 10.073 1.00 1.62 O ATOM 667 OD2 ASP A 70 3.271 -1.923 9.913 1.00 1.56 O ATOM 0 H ASP A 70 2.997 0.571 5.923 1.00 0.29 H new ATOM 0 HA ASP A 70 5.326 -0.349 7.265 1.00 0.35 H new ATOM 0 HB2 ASP A 70 3.439 0.817 8.344 1.00 0.43 H new ATOM 0 HB3 ASP A 70 2.399 -0.553 8.009 1.00 0.43 H new ATOM 672 N GLU A 71 3.229 -2.546 5.994 1.00 0.42 N ATOM 673 CA GLU A 71 3.140 -3.909 5.501 1.00 0.50 C ATOM 674 C GLU A 71 4.173 -4.188 4.407 1.00 0.45 C ATOM 675 O GLU A 71 4.981 -5.099 4.548 1.00 0.48 O ATOM 676 CB GLU A 71 1.731 -4.147 4.958 1.00 0.61 C ATOM 677 CG GLU A 71 1.045 -5.365 5.540 1.00 0.94 C ATOM 678 CD GLU A 71 1.761 -6.662 5.222 1.00 1.47 C ATOM 679 OE1 GLU A 71 2.218 -7.341 6.167 1.00 2.14 O ATOM 680 OE2 GLU A 71 1.860 -7.016 4.034 1.00 2.18 O ATOM 0 H GLU A 71 2.450 -1.950 5.715 1.00 0.42 H new ATOM 0 HA GLU A 71 3.350 -4.588 6.327 1.00 0.50 H new ATOM 0 HB2 GLU A 71 1.121 -3.267 5.161 1.00 0.61 H new ATOM 0 HB3 GLU A 71 1.784 -4.255 3.875 1.00 0.61 H new ATOM 0 HG2 GLU A 71 0.975 -5.252 6.622 1.00 0.94 H new ATOM 0 HG3 GLU A 71 0.025 -5.417 5.158 1.00 0.94 H new ATOM 687 N GLU A 72 4.165 -3.391 3.329 1.00 0.43 N ATOM 688 CA GLU A 72 5.009 -3.677 2.163 1.00 0.45 C ATOM 689 C GLU A 72 6.486 -3.597 2.531 1.00 0.42 C ATOM 690 O GLU A 72 7.255 -4.509 2.242 1.00 0.47 O ATOM 691 CB GLU A 72 4.707 -2.726 0.993 1.00 0.46 C ATOM 692 CG GLU A 72 5.549 -3.022 -0.240 1.00 0.57 C ATOM 693 CD GLU A 72 5.120 -2.268 -1.484 1.00 0.91 C ATOM 694 OE1 GLU A 72 4.289 -2.799 -2.237 1.00 1.69 O ATOM 695 OE2 GLU A 72 5.653 -1.179 -1.752 1.00 1.33 O ATOM 0 H GLU A 72 3.590 -2.553 3.241 1.00 0.43 H new ATOM 0 HA GLU A 72 4.777 -4.692 1.840 1.00 0.45 H new ATOM 0 HB2 GLU A 72 3.651 -2.801 0.733 1.00 0.46 H new ATOM 0 HB3 GLU A 72 4.885 -1.699 1.311 1.00 0.46 H new ATOM 0 HG2 GLU A 72 6.589 -2.779 -0.022 1.00 0.57 H new ATOM 0 HG3 GLU A 72 5.508 -4.092 -0.445 1.00 0.57 H new ATOM 702 N ILE A 73 6.854 -2.533 3.223 1.00 0.35 N ATOM 703 CA ILE A 73 8.239 -2.316 3.614 1.00 0.34 C ATOM 704 C ILE A 73 8.691 -3.429 4.534 1.00 0.40 C ATOM 705 O ILE A 73 9.789 -3.966 4.391 1.00 0.45 O ATOM 706 CB ILE A 73 8.425 -0.949 4.309 1.00 0.29 C ATOM 707 CG1 ILE A 73 8.385 0.162 3.270 1.00 0.27 C ATOM 708 CG2 ILE A 73 9.720 -0.895 5.105 1.00 0.33 C ATOM 709 CD1 ILE A 73 8.541 1.546 3.848 1.00 0.27 C ATOM 0 H ILE A 73 6.211 -1.802 3.528 1.00 0.35 H new ATOM 0 HA ILE A 73 8.849 -2.316 2.710 1.00 0.34 H new ATOM 0 HB ILE A 73 7.607 -0.811 5.016 1.00 0.29 H new ATOM 0 HG12 ILE A 73 9.177 -0.008 2.541 1.00 0.27 H new ATOM 0 HG13 ILE A 73 7.439 0.108 2.732 1.00 0.27 H new ATOM 0 HG21 ILE A 73 9.815 0.082 5.579 1.00 0.33 H new ATOM 0 HG22 ILE A 73 9.709 -1.671 5.871 1.00 0.33 H new ATOM 0 HG23 ILE A 73 10.565 -1.058 4.436 1.00 0.33 H new ATOM 0 HD11 ILE A 73 8.502 2.282 3.045 1.00 0.27 H new ATOM 0 HD12 ILE A 73 7.734 1.738 4.556 1.00 0.27 H new ATOM 0 HD13 ILE A 73 9.500 1.620 4.362 1.00 0.27 H new ATOM 721 N SER A 74 7.822 -3.795 5.461 1.00 0.41 N ATOM 722 CA SER A 74 8.139 -4.868 6.396 1.00 0.49 C ATOM 723 C SER A 74 8.279 -6.212 5.673 1.00 0.54 C ATOM 724 O SER A 74 9.270 -6.915 5.849 1.00 0.60 O ATOM 725 CB SER A 74 7.069 -4.973 7.482 1.00 0.52 C ATOM 726 OG SER A 74 7.426 -5.929 8.465 1.00 1.34 O ATOM 0 H SER A 74 6.902 -3.373 5.588 1.00 0.41 H new ATOM 0 HA SER A 74 9.094 -4.625 6.861 1.00 0.49 H new ATOM 0 HB2 SER A 74 6.928 -4.000 7.952 1.00 0.52 H new ATOM 0 HB3 SER A 74 6.116 -5.250 7.031 1.00 0.52 H new ATOM 0 HG SER A 74 6.724 -5.974 9.148 1.00 1.34 H new ATOM 732 N ARG A 75 7.314 -6.531 4.818 1.00 0.55 N ATOM 733 CA ARG A 75 7.250 -7.861 4.209 1.00 0.63 C ATOM 734 C ARG A 75 8.377 -8.040 3.195 1.00 0.65 C ATOM 735 O ARG A 75 8.949 -9.123 3.078 1.00 0.72 O ATOM 736 CB ARG A 75 5.877 -8.128 3.572 1.00 0.74 C ATOM 737 CG ARG A 75 5.540 -7.239 2.388 1.00 0.76 C ATOM 738 CD ARG A 75 4.105 -7.450 1.926 1.00 1.25 C ATOM 739 NE ARG A 75 3.867 -8.812 1.443 1.00 1.84 N ATOM 740 CZ ARG A 75 2.711 -9.466 1.576 1.00 2.73 C ATOM 741 NH1 ARG A 75 1.709 -8.934 2.271 1.00 3.05 N ATOM 742 NH2 ARG A 75 2.570 -10.672 1.039 1.00 3.67 N ATOM 0 H ARG A 75 6.570 -5.896 4.531 1.00 0.55 H new ATOM 0 HA ARG A 75 7.383 -8.598 5.001 1.00 0.63 H new ATOM 0 HB2 ARG A 75 5.838 -9.169 3.250 1.00 0.74 H new ATOM 0 HB3 ARG A 75 5.108 -8.001 4.334 1.00 0.74 H new ATOM 0 HG2 ARG A 75 5.686 -6.194 2.662 1.00 0.76 H new ATOM 0 HG3 ARG A 75 6.223 -7.451 1.566 1.00 0.76 H new ATOM 0 HD2 ARG A 75 3.426 -7.236 2.751 1.00 1.25 H new ATOM 0 HD3 ARG A 75 3.874 -6.740 1.131 1.00 1.25 H new ATOM 0 HE ARG A 75 4.635 -9.292 0.974 1.00 1.84 H new ATOM 0 HH11 ARG A 75 1.821 -8.019 2.708 1.00 3.05 H new ATOM 0 HH12 ARG A 75 0.829 -9.441 2.367 1.00 3.05 H new ATOM 0 HH21 ARG A 75 3.344 -11.096 0.527 1.00 3.67 H new ATOM 0 HH22 ARG A 75 1.688 -11.175 1.139 1.00 3.67 H new ATOM 756 N VAL A 76 8.706 -6.967 2.482 1.00 0.62 N ATOM 757 CA VAL A 76 9.838 -6.968 1.559 1.00 0.67 C ATOM 758 C VAL A 76 11.138 -7.317 2.284 1.00 0.71 C ATOM 759 O VAL A 76 12.011 -7.964 1.721 1.00 0.84 O ATOM 760 CB VAL A 76 9.991 -5.602 0.847 1.00 0.61 C ATOM 761 CG1 VAL A 76 11.301 -5.513 0.074 1.00 0.64 C ATOM 762 CG2 VAL A 76 8.822 -5.361 -0.089 1.00 0.58 C ATOM 0 H VAL A 76 8.202 -6.081 2.526 1.00 0.62 H new ATOM 0 HA VAL A 76 9.635 -7.730 0.807 1.00 0.67 H new ATOM 0 HB VAL A 76 10.002 -4.831 1.617 1.00 0.61 H new ATOM 0 HG11 VAL A 76 11.371 -4.540 -0.412 1.00 0.64 H new ATOM 0 HG12 VAL A 76 12.138 -5.637 0.761 1.00 0.64 H new ATOM 0 HG13 VAL A 76 11.332 -6.298 -0.681 1.00 0.64 H new ATOM 0 HG21 VAL A 76 8.944 -4.397 -0.582 1.00 0.58 H new ATOM 0 HG22 VAL A 76 8.788 -6.151 -0.839 1.00 0.58 H new ATOM 0 HG23 VAL A 76 7.893 -5.362 0.481 1.00 0.58 H new ATOM 772 N ARG A 77 11.237 -6.936 3.551 1.00 0.65 N ATOM 773 CA ARG A 77 12.470 -7.139 4.303 1.00 0.73 C ATOM 774 C ARG A 77 12.720 -8.621 4.552 1.00 0.86 C ATOM 775 O ARG A 77 13.868 -9.070 4.565 1.00 0.98 O ATOM 776 CB ARG A 77 12.437 -6.371 5.623 1.00 0.75 C ATOM 777 CG ARG A 77 12.581 -4.868 5.451 1.00 0.81 C ATOM 778 CD ARG A 77 12.469 -4.141 6.781 1.00 0.84 C ATOM 779 NE ARG A 77 12.743 -2.712 6.648 1.00 1.39 N ATOM 780 CZ ARG A 77 12.178 -1.768 7.398 1.00 1.71 C ATOM 781 NH1 ARG A 77 11.302 -2.098 8.342 1.00 1.45 N ATOM 782 NH2 ARG A 77 12.497 -0.493 7.208 1.00 2.73 N ATOM 0 H ARG A 77 10.486 -6.489 4.076 1.00 0.65 H new ATOM 0 HA ARG A 77 13.293 -6.751 3.703 1.00 0.73 H new ATOM 0 HB2 ARG A 77 11.498 -6.582 6.134 1.00 0.75 H new ATOM 0 HB3 ARG A 77 13.239 -6.734 6.266 1.00 0.75 H new ATOM 0 HG2 ARG A 77 13.544 -4.644 4.993 1.00 0.81 H new ATOM 0 HG3 ARG A 77 11.812 -4.503 4.770 1.00 0.81 H new ATOM 0 HD2 ARG A 77 11.468 -4.282 7.188 1.00 0.84 H new ATOM 0 HD3 ARG A 77 13.167 -4.579 7.494 1.00 0.84 H new ATOM 0 HE ARG A 77 13.410 -2.419 5.934 1.00 1.39 H new ATOM 0 HH11 ARG A 77 11.061 -3.077 8.494 1.00 1.45 H new ATOM 0 HH12 ARG A 77 10.871 -1.372 8.914 1.00 1.45 H new ATOM 0 HH21 ARG A 77 13.174 -0.238 6.489 1.00 2.73 H new ATOM 0 HH22 ARG A 77 12.065 0.232 7.781 1.00 2.73 H new ATOM 796 N LYS A 78 11.648 -9.380 4.734 1.00 0.90 N ATOM 797 CA LYS A 78 11.761 -10.816 4.910 1.00 1.08 C ATOM 798 C LYS A 78 11.836 -11.499 3.556 1.00 1.11 C ATOM 799 O LYS A 78 12.714 -12.327 3.306 1.00 1.32 O ATOM 800 CB LYS A 78 10.561 -11.371 5.674 1.00 1.13 C ATOM 801 CG LYS A 78 10.385 -10.814 7.071 1.00 1.35 C ATOM 802 CD LYS A 78 9.506 -9.583 7.043 1.00 2.01 C ATOM 803 CE LYS A 78 9.424 -8.909 8.403 1.00 2.67 C ATOM 804 NZ LYS A 78 8.775 -9.783 9.414 1.00 3.44 N ATOM 0 H LYS A 78 10.693 -9.023 4.763 1.00 0.90 H new ATOM 0 HA LYS A 78 12.668 -11.012 5.481 1.00 1.08 H new ATOM 0 HB2 LYS A 78 9.657 -11.167 5.100 1.00 1.13 H new ATOM 0 HB3 LYS A 78 10.659 -12.455 5.740 1.00 1.13 H new ATOM 0 HG2 LYS A 78 9.941 -11.571 7.717 1.00 1.35 H new ATOM 0 HG3 LYS A 78 11.358 -10.564 7.495 1.00 1.35 H new ATOM 0 HD2 LYS A 78 9.896 -8.876 6.311 1.00 2.01 H new ATOM 0 HD3 LYS A 78 8.504 -9.861 6.715 1.00 2.01 H new ATOM 0 HE2 LYS A 78 10.427 -8.647 8.740 1.00 2.67 H new ATOM 0 HE3 LYS A 78 8.864 -7.978 8.314 1.00 2.67 H new ATOM 0 HZ1 LYS A 78 8.661 -9.258 10.305 1.00 3.44 H new ATOM 0 HZ2 LYS A 78 7.842 -10.082 9.066 1.00 3.44 H new ATOM 0 HZ3 LYS A 78 9.368 -10.621 9.580 1.00 3.44 H new ATOM 999 N THR B 38 -11.611 -7.239 5.083 1.00 0.97 N ATOM 1000 CA THR B 38 -13.059 -7.367 5.165 1.00 0.84 C ATOM 1001 C THR B 38 -13.727 -6.341 4.240 1.00 0.72 C ATOM 1002 O THR B 38 -13.030 -5.540 3.618 1.00 0.66 O ATOM 1003 CB THR B 38 -13.528 -7.147 6.619 1.00 0.79 C ATOM 1004 OG1 THR B 38 -12.988 -5.916 7.124 1.00 0.85 O ATOM 1005 CG2 THR B 38 -13.090 -8.300 7.511 1.00 0.95 C ATOM 0 HA THR B 38 -13.344 -8.371 4.849 1.00 0.84 H new ATOM 0 HB THR B 38 -14.617 -7.099 6.624 1.00 0.79 H new ATOM 0 HG1 THR B 38 -13.290 -5.781 8.047 1.00 0.85 H new ATOM 0 HG21 THR B 38 -13.432 -8.122 8.530 1.00 0.95 H new ATOM 0 HG22 THR B 38 -13.521 -9.230 7.141 1.00 0.95 H new ATOM 0 HG23 THR B 38 -12.003 -8.375 7.501 1.00 0.95 H new ATOM 1013 N PRO B 39 -15.067 -6.347 4.095 1.00 0.74 N ATOM 1014 CA PRO B 39 -15.762 -5.312 3.321 1.00 0.70 C ATOM 1015 C PRO B 39 -15.495 -3.906 3.859 1.00 0.62 C ATOM 1016 O PRO B 39 -15.197 -2.999 3.091 1.00 0.56 O ATOM 1017 CB PRO B 39 -17.238 -5.675 3.463 1.00 0.78 C ATOM 1018 CG PRO B 39 -17.235 -7.134 3.770 1.00 0.87 C ATOM 1019 CD PRO B 39 -16.003 -7.370 4.599 1.00 0.83 C ATOM 0 HA PRO B 39 -15.423 -5.287 2.285 1.00 0.70 H new ATOM 0 HB2 PRO B 39 -17.713 -5.103 4.260 1.00 0.78 H new ATOM 0 HB3 PRO B 39 -17.789 -5.463 2.547 1.00 0.78 H new ATOM 0 HG2 PRO B 39 -18.135 -7.422 4.314 1.00 0.87 H new ATOM 0 HG3 PRO B 39 -17.212 -7.727 2.856 1.00 0.87 H new ATOM 0 HD2 PRO B 39 -16.202 -7.246 5.663 1.00 0.83 H new ATOM 0 HD3 PRO B 39 -15.611 -8.378 4.463 1.00 0.83 H new ATOM 1027 N ASP B 40 -15.581 -3.733 5.178 1.00 0.65 N ATOM 1028 CA ASP B 40 -15.285 -2.441 5.811 1.00 0.64 C ATOM 1029 C ASP B 40 -13.895 -1.973 5.399 1.00 0.57 C ATOM 1030 O ASP B 40 -13.683 -0.814 5.037 1.00 0.57 O ATOM 1031 CB ASP B 40 -15.347 -2.563 7.337 1.00 0.72 C ATOM 1032 CG ASP B 40 -16.715 -2.966 7.846 1.00 1.44 C ATOM 1033 OD1 ASP B 40 -17.013 -4.181 7.867 1.00 2.22 O ATOM 1034 OD2 ASP B 40 -17.494 -2.075 8.243 1.00 2.16 O ATOM 0 H ASP B 40 -15.853 -4.468 5.831 1.00 0.65 H new ATOM 0 HA ASP B 40 -16.030 -1.716 5.483 1.00 0.64 H new ATOM 0 HB2 ASP B 40 -14.612 -3.298 7.667 1.00 0.72 H new ATOM 0 HB3 ASP B 40 -15.066 -1.609 7.783 1.00 0.72 H new ATOM 1039 N TYR B 41 -12.971 -2.917 5.437 1.00 0.57 N ATOM 1040 CA TYR B 41 -11.590 -2.734 5.009 1.00 0.54 C ATOM 1041 C TYR B 41 -11.542 -2.237 3.563 1.00 0.46 C ATOM 1042 O TYR B 41 -10.759 -1.352 3.217 1.00 0.43 O ATOM 1043 CB TYR B 41 -10.935 -4.109 5.138 1.00 0.61 C ATOM 1044 CG TYR B 41 -9.460 -4.240 4.834 1.00 0.63 C ATOM 1045 CD1 TYR B 41 -8.962 -4.121 3.543 1.00 0.64 C ATOM 1046 CD2 TYR B 41 -8.579 -4.586 5.847 1.00 0.84 C ATOM 1047 CE1 TYR B 41 -7.624 -4.346 3.275 1.00 0.69 C ATOM 1048 CE2 TYR B 41 -7.244 -4.793 5.590 1.00 0.88 C ATOM 1049 CZ TYR B 41 -6.772 -4.681 4.304 1.00 0.73 C ATOM 1050 OH TYR B 41 -5.448 -4.938 4.047 1.00 0.82 O ATOM 0 H TYR B 41 -13.164 -3.860 5.776 1.00 0.57 H new ATOM 0 HA TYR B 41 -11.071 -1.989 5.612 1.00 0.54 H new ATOM 0 HB2 TYR B 41 -11.095 -4.457 6.159 1.00 0.61 H new ATOM 0 HB3 TYR B 41 -11.470 -4.794 4.480 1.00 0.61 H new ATOM 0 HD1 TYR B 41 -9.628 -3.849 2.738 1.00 0.64 H new ATOM 0 HD2 TYR B 41 -8.948 -4.695 6.856 1.00 0.84 H new ATOM 0 HE1 TYR B 41 -7.250 -4.260 2.266 1.00 0.69 H new ATOM 0 HE2 TYR B 41 -6.569 -5.043 6.395 1.00 0.88 H new ATOM 0 HH TYR B 41 -5.317 -5.046 3.082 1.00 0.82 H new ATOM 1060 N LEU B 42 -12.419 -2.795 2.741 1.00 0.44 N ATOM 1061 CA LEU B 42 -12.453 -2.498 1.315 1.00 0.39 C ATOM 1062 C LEU B 42 -13.157 -1.173 1.040 1.00 0.36 C ATOM 1063 O LEU B 42 -12.838 -0.485 0.074 1.00 0.34 O ATOM 1064 CB LEU B 42 -13.159 -3.636 0.564 1.00 0.43 C ATOM 1065 CG LEU B 42 -13.369 -3.411 -0.937 1.00 0.41 C ATOM 1066 CD1 LEU B 42 -12.042 -3.226 -1.650 1.00 0.37 C ATOM 1067 CD2 LEU B 42 -14.143 -4.569 -1.547 1.00 0.48 C ATOM 0 H LEU B 42 -13.126 -3.465 3.042 1.00 0.44 H new ATOM 0 HA LEU B 42 -11.426 -2.411 0.961 1.00 0.39 H new ATOM 0 HB2 LEU B 42 -12.580 -4.550 0.698 1.00 0.43 H new ATOM 0 HB3 LEU B 42 -14.131 -3.804 1.027 1.00 0.43 H new ATOM 0 HG LEU B 42 -13.952 -2.499 -1.063 1.00 0.41 H new ATOM 0 HD11 LEU B 42 -12.219 -3.068 -2.714 1.00 0.37 H new ATOM 0 HD12 LEU B 42 -11.524 -2.361 -1.236 1.00 0.37 H new ATOM 0 HD13 LEU B 42 -11.428 -4.116 -1.513 1.00 0.37 H new ATOM 0 HD21 LEU B 42 -14.283 -4.392 -2.613 1.00 0.48 H new ATOM 0 HD22 LEU B 42 -13.586 -5.495 -1.403 1.00 0.48 H new ATOM 0 HD23 LEU B 42 -15.116 -4.652 -1.063 1.00 0.48 H new ATOM 1079 N MET B 43 -14.086 -0.792 1.907 1.00 0.39 N ATOM 1080 CA MET B 43 -14.879 0.409 1.680 1.00 0.40 C ATOM 1081 C MET B 43 -14.038 1.640 1.978 1.00 0.36 C ATOM 1082 O MET B 43 -14.134 2.661 1.292 1.00 0.36 O ATOM 1083 CB MET B 43 -16.145 0.411 2.546 1.00 0.47 C ATOM 1084 CG MET B 43 -17.412 -0.007 1.831 1.00 0.63 C ATOM 1085 SD MET B 43 -17.666 -1.798 1.749 1.00 0.85 S ATOM 1086 CE MET B 43 -16.579 -2.281 0.407 1.00 0.54 C ATOM 0 H MET B 43 -14.308 -1.293 2.768 1.00 0.39 H new ATOM 0 HA MET B 43 -15.189 0.424 0.635 1.00 0.40 H new ATOM 0 HB2 MET B 43 -15.988 -0.256 3.394 1.00 0.47 H new ATOM 0 HB3 MET B 43 -16.288 1.413 2.951 1.00 0.47 H new ATOM 0 HG2 MET B 43 -18.266 0.446 2.335 1.00 0.63 H new ATOM 0 HG3 MET B 43 -17.391 0.392 0.817 1.00 0.63 H new ATOM 0 HE1 MET B 43 -16.960 -3.189 -0.061 1.00 0.54 H new ATOM 0 HE2 MET B 43 -16.537 -1.481 -0.333 1.00 0.54 H new ATOM 0 HE3 MET B 43 -15.579 -2.467 0.798 1.00 0.54 H new ATOM 1096 N GLN B 44 -13.195 1.512 2.995 1.00 0.36 N ATOM 1097 CA GLN B 44 -12.234 2.553 3.338 1.00 0.35 C ATOM 1098 C GLN B 44 -11.288 2.767 2.169 1.00 0.30 C ATOM 1099 O GLN B 44 -10.956 3.895 1.808 1.00 0.30 O ATOM 1100 CB GLN B 44 -11.436 2.144 4.574 1.00 0.42 C ATOM 1101 CG GLN B 44 -12.288 1.940 5.813 1.00 0.52 C ATOM 1102 CD GLN B 44 -11.524 1.267 6.932 1.00 0.64 C ATOM 1103 OE1 GLN B 44 -10.304 1.402 7.038 1.00 0.92 O ATOM 1104 NE2 GLN B 44 -12.234 0.541 7.777 1.00 0.75 N ATOM 0 H GLN B 44 -13.158 0.692 3.600 1.00 0.36 H new ATOM 0 HA GLN B 44 -12.769 3.478 3.553 1.00 0.35 H new ATOM 0 HB2 GLN B 44 -10.898 1.221 4.358 1.00 0.42 H new ATOM 0 HB3 GLN B 44 -10.687 2.909 4.781 1.00 0.42 H new ATOM 0 HG2 GLN B 44 -12.659 2.905 6.159 1.00 0.52 H new ATOM 0 HG3 GLN B 44 -13.159 1.337 5.557 1.00 0.52 H new ATOM 0 HE21 GLN B 44 -13.243 0.455 7.653 1.00 0.75 H new ATOM 0 HE22 GLN B 44 -11.773 0.066 8.553 1.00 0.75 H new ATOM 1113 N LEU B 45 -10.882 1.656 1.574 1.00 0.27 N ATOM 1114 CA LEU B 45 -9.997 1.663 0.423 1.00 0.25 C ATOM 1115 C LEU B 45 -10.597 2.412 -0.751 1.00 0.23 C ATOM 1116 O LEU B 45 -9.890 3.119 -1.474 1.00 0.23 O ATOM 1117 CB LEU B 45 -9.702 0.234 -0.007 1.00 0.29 C ATOM 1118 CG LEU B 45 -8.634 -0.481 0.802 1.00 0.32 C ATOM 1119 CD1 LEU B 45 -8.509 -1.932 0.365 1.00 0.38 C ATOM 1120 CD2 LEU B 45 -7.314 0.237 0.628 1.00 0.31 C ATOM 0 H LEU B 45 -11.159 0.722 1.878 1.00 0.27 H new ATOM 0 HA LEU B 45 -9.080 2.172 0.721 1.00 0.25 H new ATOM 0 HB2 LEU B 45 -10.625 -0.343 0.051 1.00 0.29 H new ATOM 0 HB3 LEU B 45 -9.397 0.243 -1.053 1.00 0.29 H new ATOM 0 HG LEU B 45 -8.917 -0.471 1.855 1.00 0.32 H new ATOM 0 HD11 LEU B 45 -7.738 -2.425 0.957 1.00 0.38 H new ATOM 0 HD12 LEU B 45 -9.462 -2.440 0.514 1.00 0.38 H new ATOM 0 HD13 LEU B 45 -8.237 -1.972 -0.690 1.00 0.38 H new ATOM 0 HD21 LEU B 45 -6.544 -0.272 1.207 1.00 0.31 H new ATOM 0 HD22 LEU B 45 -7.036 0.237 -0.426 1.00 0.31 H new ATOM 0 HD23 LEU B 45 -7.410 1.265 0.977 1.00 0.31 H new ATOM 1132 N MET B 46 -11.902 2.268 -0.936 1.00 0.26 N ATOM 1133 CA MET B 46 -12.562 2.835 -2.097 1.00 0.27 C ATOM 1134 C MET B 46 -12.513 4.347 -2.059 1.00 0.26 C ATOM 1135 O MET B 46 -12.505 4.995 -3.100 1.00 0.40 O ATOM 1136 CB MET B 46 -14.019 2.394 -2.187 1.00 0.33 C ATOM 1137 CG MET B 46 -14.215 0.892 -2.245 1.00 0.38 C ATOM 1138 SD MET B 46 -15.934 0.440 -2.544 1.00 0.49 S ATOM 1139 CE MET B 46 -16.775 1.582 -1.448 1.00 0.49 C ATOM 0 H MET B 46 -12.520 1.765 -0.299 1.00 0.26 H new ATOM 0 HA MET B 46 -12.027 2.470 -2.973 1.00 0.27 H new ATOM 0 HB2 MET B 46 -14.559 2.786 -1.325 1.00 0.33 H new ATOM 0 HB3 MET B 46 -14.467 2.841 -3.074 1.00 0.33 H new ATOM 0 HG2 MET B 46 -13.589 0.476 -3.035 1.00 0.38 H new ATOM 0 HG3 MET B 46 -13.882 0.447 -1.307 1.00 0.38 H new ATOM 0 HE1 MET B 46 -17.746 1.171 -1.170 1.00 0.49 H new ATOM 0 HE2 MET B 46 -16.175 1.734 -0.551 1.00 0.49 H new ATOM 0 HE3 MET B 46 -16.917 2.536 -1.956 1.00 0.49 H new ATOM 1149 N ASN B 47 -12.449 4.920 -0.864 1.00 0.24 N ATOM 1150 CA ASN B 47 -12.481 6.364 -0.729 1.00 0.30 C ATOM 1151 C ASN B 47 -11.071 6.919 -0.862 1.00 0.26 C ATOM 1152 O ASN B 47 -10.875 8.027 -1.350 1.00 0.28 O ATOM 1153 CB ASN B 47 -13.085 6.752 0.626 1.00 0.42 C ATOM 1154 CG ASN B 47 -13.293 8.248 0.775 1.00 0.80 C ATOM 1155 OD1 ASN B 47 -12.422 8.967 1.262 1.00 1.60 O ATOM 1156 ND2 ASN B 47 -14.459 8.725 0.370 1.00 1.43 N ATOM 0 H ASN B 47 -12.375 4.410 0.016 1.00 0.24 H new ATOM 0 HA ASN B 47 -13.103 6.787 -1.517 1.00 0.30 H new ATOM 0 HB2 ASN B 47 -14.041 6.243 0.751 1.00 0.42 H new ATOM 0 HB3 ASN B 47 -12.431 6.400 1.424 1.00 0.42 H new ATOM 0 HD21 ASN B 47 -14.660 9.721 0.457 1.00 1.43 H new ATOM 0 HD22 ASN B 47 -15.156 8.097 -0.029 1.00 1.43 H new ATOM 1163 N ASP B 48 -10.087 6.110 -0.478 1.00 0.24 N ATOM 1164 CA ASP B 48 -8.683 6.506 -0.550 1.00 0.25 C ATOM 1165 C ASP B 48 -8.219 6.514 -2.002 1.00 0.25 C ATOM 1166 O ASP B 48 -7.646 7.491 -2.482 1.00 0.30 O ATOM 1167 CB ASP B 48 -7.795 5.541 0.252 1.00 0.25 C ATOM 1168 CG ASP B 48 -7.858 5.729 1.761 1.00 0.29 C ATOM 1169 OD1 ASP B 48 -8.620 6.592 2.243 1.00 0.93 O ATOM 1170 OD2 ASP B 48 -7.122 5.009 2.478 1.00 0.74 O ATOM 0 H ASP B 48 -10.238 5.170 -0.111 1.00 0.24 H new ATOM 0 HA ASP B 48 -8.594 7.505 -0.123 1.00 0.25 H new ATOM 0 HB2 ASP B 48 -8.085 4.518 0.014 1.00 0.25 H new ATOM 0 HB3 ASP B 48 -6.762 5.663 -0.073 1.00 0.25 H new ATOM 1175 N LYS B 49 -8.492 5.410 -2.699 1.00 0.22 N ATOM 1176 CA LYS B 49 -8.113 5.252 -4.102 1.00 0.27 C ATOM 1177 C LYS B 49 -8.786 6.314 -4.973 1.00 0.33 C ATOM 1178 O LYS B 49 -8.253 6.718 -6.007 1.00 0.44 O ATOM 1179 CB LYS B 49 -8.498 3.853 -4.596 1.00 0.31 C ATOM 1180 CG LYS B 49 -7.475 3.224 -5.537 1.00 0.58 C ATOM 1181 CD LYS B 49 -7.315 4.014 -6.823 1.00 0.92 C ATOM 1182 CE LYS B 49 -8.504 3.837 -7.751 1.00 1.45 C ATOM 1183 NZ LYS B 49 -8.311 4.563 -9.032 1.00 2.10 N ATOM 0 H LYS B 49 -8.980 4.604 -2.308 1.00 0.22 H new ATOM 0 HA LYS B 49 -7.033 5.377 -4.179 1.00 0.27 H new ATOM 0 HB2 LYS B 49 -8.634 3.199 -3.734 1.00 0.31 H new ATOM 0 HB3 LYS B 49 -9.459 3.911 -5.107 1.00 0.31 H new ATOM 0 HG2 LYS B 49 -6.512 3.158 -5.031 1.00 0.58 H new ATOM 0 HG3 LYS B 49 -7.781 2.205 -5.774 1.00 0.58 H new ATOM 0 HD2 LYS B 49 -7.194 5.071 -6.586 1.00 0.92 H new ATOM 0 HD3 LYS B 49 -6.406 3.696 -7.333 1.00 0.92 H new ATOM 0 HE2 LYS B 49 -8.654 2.776 -7.952 1.00 1.45 H new ATOM 0 HE3 LYS B 49 -9.407 4.199 -7.259 1.00 1.45 H new ATOM 0 HZ1 LYS B 49 -9.142 4.420 -9.641 1.00 2.10 H new ATOM 0 HZ2 LYS B 49 -8.192 5.578 -8.841 1.00 2.10 H new ATOM 0 HZ3 LYS B 49 -7.463 4.200 -9.513 1.00 2.10 H new ATOM 1197 N LYS B 50 -9.937 6.789 -4.541 1.00 0.30 N ATOM 1198 CA LYS B 50 -10.668 7.786 -5.304 1.00 0.37 C ATOM 1199 C LYS B 50 -10.195 9.176 -4.917 1.00 0.39 C ATOM 1200 O LYS B 50 -10.050 10.051 -5.772 1.00 0.44 O ATOM 1201 CB LYS B 50 -12.174 7.652 -5.089 1.00 0.42 C ATOM 1202 CG LYS B 50 -12.779 6.444 -5.790 1.00 1.14 C ATOM 1203 CD LYS B 50 -14.276 6.332 -5.538 1.00 1.67 C ATOM 1204 CE LYS B 50 -15.033 7.545 -6.054 1.00 2.35 C ATOM 1205 NZ LYS B 50 -14.840 7.747 -7.514 1.00 3.05 N ATOM 0 H LYS B 50 -10.386 6.504 -3.671 1.00 0.30 H new ATOM 0 HA LYS B 50 -10.471 7.623 -6.364 1.00 0.37 H new ATOM 0 HB2 LYS B 50 -12.376 7.582 -4.020 1.00 0.42 H new ATOM 0 HB3 LYS B 50 -12.667 8.556 -5.448 1.00 0.42 H new ATOM 0 HG2 LYS B 50 -12.596 6.517 -6.862 1.00 1.14 H new ATOM 0 HG3 LYS B 50 -12.284 5.537 -5.443 1.00 1.14 H new ATOM 0 HD2 LYS B 50 -14.659 5.433 -6.022 1.00 1.67 H new ATOM 0 HD3 LYS B 50 -14.456 6.220 -4.469 1.00 1.67 H new ATOM 0 HE2 LYS B 50 -16.096 7.425 -5.843 1.00 2.35 H new ATOM 0 HE3 LYS B 50 -14.700 8.434 -5.519 1.00 2.35 H new ATOM 0 HZ1 LYS B 50 -15.512 8.462 -7.857 1.00 3.05 H new ATOM 0 HZ2 LYS B 50 -13.868 8.070 -7.694 1.00 3.05 H new ATOM 0 HZ3 LYS B 50 -15.004 6.850 -8.013 1.00 3.05 H new ATOM 1219 N LEU B 51 -9.945 9.368 -3.625 1.00 0.38 N ATOM 1220 CA LEU B 51 -9.376 10.609 -3.125 1.00 0.44 C ATOM 1221 C LEU B 51 -8.049 10.907 -3.805 1.00 0.43 C ATOM 1222 O LEU B 51 -7.829 12.013 -4.288 1.00 0.47 O ATOM 1223 CB LEU B 51 -9.158 10.530 -1.614 1.00 0.48 C ATOM 1224 CG LEU B 51 -8.592 11.796 -0.976 1.00 0.70 C ATOM 1225 CD1 LEU B 51 -9.629 12.904 -0.980 1.00 1.10 C ATOM 1226 CD2 LEU B 51 -8.108 11.514 0.435 1.00 1.22 C ATOM 0 H LEU B 51 -10.130 8.672 -2.903 1.00 0.38 H new ATOM 0 HA LEU B 51 -10.081 11.410 -3.348 1.00 0.44 H new ATOM 0 HB2 LEU B 51 -10.109 10.295 -1.137 1.00 0.48 H new ATOM 0 HB3 LEU B 51 -8.482 9.701 -1.403 1.00 0.48 H new ATOM 0 HG LEU B 51 -7.738 12.127 -1.567 1.00 0.70 H new ATOM 0 HD11 LEU B 51 -9.208 13.798 -0.521 1.00 1.10 H new ATOM 0 HD12 LEU B 51 -9.921 13.126 -2.007 1.00 1.10 H new ATOM 0 HD13 LEU B 51 -10.505 12.585 -0.415 1.00 1.10 H new ATOM 0 HD21 LEU B 51 -7.708 12.429 0.872 1.00 1.22 H new ATOM 0 HD22 LEU B 51 -8.941 11.156 1.041 1.00 1.22 H new ATOM 0 HD23 LEU B 51 -7.327 10.754 0.407 1.00 1.22 H new ATOM 1238 N MET B 52 -7.175 9.905 -3.872 1.00 0.39 N ATOM 1239 CA MET B 52 -5.847 10.088 -4.443 1.00 0.37 C ATOM 1240 C MET B 52 -5.947 10.380 -5.939 1.00 0.41 C ATOM 1241 O MET B 52 -5.113 11.088 -6.500 1.00 0.47 O ATOM 1242 CB MET B 52 -4.980 8.842 -4.195 1.00 0.33 C ATOM 1243 CG MET B 52 -5.497 7.585 -4.877 1.00 1.29 C ATOM 1244 SD MET B 52 -4.512 6.115 -4.516 1.00 1.25 S ATOM 1245 CE MET B 52 -4.694 5.993 -2.736 1.00 0.32 C ATOM 0 H MET B 52 -7.364 8.960 -3.538 1.00 0.39 H new ATOM 0 HA MET B 52 -5.374 10.940 -3.955 1.00 0.37 H new ATOM 0 HB2 MET B 52 -3.967 9.042 -4.543 1.00 0.33 H new ATOM 0 HB3 MET B 52 -4.919 8.662 -3.122 1.00 0.33 H new ATOM 0 HG2 MET B 52 -6.526 7.409 -4.565 1.00 1.29 H new ATOM 0 HG3 MET B 52 -5.514 7.746 -5.955 1.00 1.29 H new ATOM 0 HE1 MET B 52 -4.830 4.949 -2.455 1.00 0.32 H new ATOM 0 HE2 MET B 52 -3.800 6.386 -2.251 1.00 0.32 H new ATOM 0 HE3 MET B 52 -5.563 6.570 -2.419 1.00 0.32 H new ATOM 1255 N SER B 53 -6.988 9.847 -6.571 1.00 0.41 N ATOM 1256 CA SER B 53 -7.235 10.080 -7.987 1.00 0.47 C ATOM 1257 C SER B 53 -7.751 11.502 -8.218 1.00 0.51 C ATOM 1258 O SER B 53 -7.746 12.001 -9.344 1.00 0.62 O ATOM 1259 CB SER B 53 -8.241 9.049 -8.515 1.00 0.52 C ATOM 1260 OG SER B 53 -8.406 9.150 -9.921 1.00 1.15 O ATOM 0 H SER B 53 -7.678 9.247 -6.119 1.00 0.41 H new ATOM 0 HA SER B 53 -6.297 9.969 -8.531 1.00 0.47 H new ATOM 0 HB2 SER B 53 -7.902 8.045 -8.259 1.00 0.52 H new ATOM 0 HB3 SER B 53 -9.203 9.195 -8.024 1.00 0.52 H new ATOM 0 HG SER B 53 -8.117 10.037 -10.221 1.00 1.15 H new ATOM 1266 N SER B 54 -8.172 12.156 -7.142 1.00 0.49 N ATOM 1267 CA SER B 54 -8.692 13.510 -7.221 1.00 0.54 C ATOM 1268 C SER B 54 -7.626 14.497 -6.745 1.00 0.53 C ATOM 1269 O SER B 54 -7.787 15.715 -6.849 1.00 0.53 O ATOM 1270 CB SER B 54 -9.959 13.628 -6.365 1.00 0.60 C ATOM 1271 OG SER B 54 -10.609 14.873 -6.559 1.00 1.30 O ATOM 0 H SER B 54 -8.162 11.765 -6.200 1.00 0.49 H new ATOM 0 HA SER B 54 -8.948 13.744 -8.254 1.00 0.54 H new ATOM 0 HB2 SER B 54 -10.644 12.817 -6.615 1.00 0.60 H new ATOM 0 HB3 SER B 54 -9.699 13.513 -5.313 1.00 0.60 H new ATOM 0 HG SER B 54 -9.939 15.571 -6.717 1.00 1.30 H new ATOM 1277 N LEU B 55 -6.531 13.949 -6.233 1.00 0.55 N ATOM 1278 CA LEU B 55 -5.428 14.754 -5.729 1.00 0.57 C ATOM 1279 C LEU B 55 -4.322 14.850 -6.775 1.00 0.65 C ATOM 1280 O LEU B 55 -3.650 13.859 -7.063 1.00 0.65 O ATOM 1281 CB LEU B 55 -4.868 14.145 -4.438 1.00 0.51 C ATOM 1282 CG LEU B 55 -5.846 14.061 -3.261 1.00 0.53 C ATOM 1283 CD1 LEU B 55 -5.166 13.441 -2.050 1.00 0.56 C ATOM 1284 CD2 LEU B 55 -6.397 15.436 -2.913 1.00 0.65 C ATOM 0 H LEU B 55 -6.384 12.943 -6.156 1.00 0.55 H new ATOM 0 HA LEU B 55 -5.803 15.755 -5.515 1.00 0.57 H new ATOM 0 HB2 LEU B 55 -4.508 13.140 -4.659 1.00 0.51 H new ATOM 0 HB3 LEU B 55 -4.004 14.732 -4.127 1.00 0.51 H new ATOM 0 HG LEU B 55 -6.680 13.425 -3.557 1.00 0.53 H new ATOM 0 HD11 LEU B 55 -5.874 13.388 -1.223 1.00 0.56 H new ATOM 0 HD12 LEU B 55 -4.824 12.437 -2.299 1.00 0.56 H new ATOM 0 HD13 LEU B 55 -4.312 14.053 -1.759 1.00 0.56 H new ATOM 0 HD21 LEU B 55 -7.088 15.349 -2.075 1.00 0.65 H new ATOM 0 HD22 LEU B 55 -5.576 16.098 -2.639 1.00 0.65 H new ATOM 0 HD23 LEU B 55 -6.922 15.847 -3.776 1.00 0.65 H new ATOM 1296 N PRO B 56 -4.110 16.044 -7.352 1.00 0.81 N ATOM 1297 CA PRO B 56 -3.096 16.246 -8.384 1.00 0.95 C ATOM 1298 C PRO B 56 -1.686 16.257 -7.804 1.00 0.88 C ATOM 1299 O PRO B 56 -0.703 16.071 -8.523 1.00 1.19 O ATOM 1300 CB PRO B 56 -3.453 17.611 -8.972 1.00 1.14 C ATOM 1301 CG PRO B 56 -4.144 18.337 -7.871 1.00 1.26 C ATOM 1302 CD PRO B 56 -4.835 17.289 -7.036 1.00 0.98 C ATOM 0 HA PRO B 56 -3.093 15.444 -9.123 1.00 0.95 H new ATOM 0 HB2 PRO B 56 -2.561 18.146 -9.298 1.00 1.14 H new ATOM 0 HB3 PRO B 56 -4.099 17.508 -9.844 1.00 1.14 H new ATOM 0 HG2 PRO B 56 -3.431 18.903 -7.272 1.00 1.26 H new ATOM 0 HG3 PRO B 56 -4.864 19.052 -8.269 1.00 1.26 H new ATOM 0 HD2 PRO B 56 -4.779 17.525 -5.973 1.00 0.98 H new ATOM 0 HD3 PRO B 56 -5.892 17.210 -7.289 1.00 0.98 H new ATOM 1310 N ASN B 57 -1.591 16.460 -6.495 1.00 0.63 N ATOM 1311 CA ASN B 57 -0.300 16.448 -5.828 1.00 0.62 C ATOM 1312 C ASN B 57 0.111 15.020 -5.525 1.00 0.57 C ATOM 1313 O ASN B 57 1.298 14.700 -5.492 1.00 0.59 O ATOM 1314 CB ASN B 57 -0.315 17.267 -4.533 1.00 0.68 C ATOM 1315 CG ASN B 57 -0.427 18.760 -4.779 1.00 1.32 C ATOM 1316 OD1 ASN B 57 0.578 19.445 -4.970 1.00 2.22 O ATOM 1317 ND2 ASN B 57 -1.645 19.277 -4.757 1.00 1.73 N ATOM 0 H ASN B 57 -2.387 16.633 -5.881 1.00 0.63 H new ATOM 0 HA ASN B 57 0.422 16.907 -6.503 1.00 0.62 H new ATOM 0 HB2 ASN B 57 -1.151 16.942 -3.914 1.00 0.68 H new ATOM 0 HB3 ASN B 57 0.596 17.064 -3.970 1.00 0.68 H new ATOM 0 HD21 ASN B 57 -1.777 20.278 -4.902 1.00 1.73 H new ATOM 0 HD22 ASN B 57 -2.452 18.674 -4.595 1.00 1.73 H new ATOM 1324 N PHE B 58 -0.887 14.161 -5.327 1.00 0.62 N ATOM 1325 CA PHE B 58 -0.653 12.760 -5.000 1.00 0.70 C ATOM 1326 C PHE B 58 0.164 12.077 -6.089 1.00 0.90 C ATOM 1327 O PHE B 58 1.188 11.446 -5.809 1.00 1.77 O ATOM 1328 CB PHE B 58 -1.987 12.031 -4.811 1.00 0.69 C ATOM 1329 CG PHE B 58 -1.843 10.544 -4.671 1.00 0.65 C ATOM 1330 CD1 PHE B 58 -1.530 9.976 -3.450 1.00 0.90 C ATOM 1331 CD2 PHE B 58 -2.014 9.717 -5.769 1.00 1.13 C ATOM 1332 CE1 PHE B 58 -1.390 8.609 -3.323 1.00 0.90 C ATOM 1333 CE2 PHE B 58 -1.877 8.353 -5.649 1.00 1.15 C ATOM 1334 CZ PHE B 58 -1.564 7.797 -4.424 1.00 0.69 C ATOM 0 H PHE B 58 -1.873 14.416 -5.389 1.00 0.62 H new ATOM 0 HA PHE B 58 -0.088 12.718 -4.069 1.00 0.70 H new ATOM 0 HB2 PHE B 58 -2.485 12.425 -3.925 1.00 0.69 H new ATOM 0 HB3 PHE B 58 -2.633 12.247 -5.662 1.00 0.69 H new ATOM 0 HD1 PHE B 58 -1.394 10.609 -2.586 1.00 0.90 H new ATOM 0 HD2 PHE B 58 -2.257 10.147 -6.729 1.00 1.13 H new ATOM 0 HE1 PHE B 58 -1.145 8.176 -2.364 1.00 0.90 H new ATOM 0 HE2 PHE B 58 -2.014 7.718 -6.512 1.00 1.15 H new ATOM 0 HZ PHE B 58 -1.456 6.727 -4.328 1.00 0.69 H new ATOM 1344 N SER B 59 -0.309 12.192 -7.325 1.00 0.91 N ATOM 1345 CA SER B 59 0.393 11.654 -8.478 1.00 1.02 C ATOM 1346 C SER B 59 1.673 12.442 -8.754 1.00 1.10 C ATOM 1347 O SER B 59 1.762 13.210 -9.714 1.00 1.84 O ATOM 1348 CB SER B 59 -0.541 11.671 -9.688 1.00 1.21 C ATOM 1349 OG SER B 59 -1.413 12.790 -9.626 1.00 1.84 O ATOM 0 H SER B 59 -1.187 12.659 -7.553 1.00 0.91 H new ATOM 0 HA SER B 59 0.687 10.625 -8.273 1.00 1.02 H new ATOM 0 HB2 SER B 59 0.045 11.709 -10.607 1.00 1.21 H new ATOM 0 HB3 SER B 59 -1.123 10.750 -9.719 1.00 1.21 H new ATOM 0 HG SER B 59 -2.004 12.788 -10.408 1.00 1.84 H new ATOM 1355 N GLY B 60 2.654 12.245 -7.892 1.00 0.91 N ATOM 1356 CA GLY B 60 3.909 12.946 -8.001 1.00 0.88 C ATOM 1357 C GLY B 60 4.716 12.839 -6.727 1.00 0.67 C ATOM 1358 O GLY B 60 5.937 12.697 -6.771 1.00 0.74 O ATOM 0 H GLY B 60 2.599 11.599 -7.105 1.00 0.91 H new ATOM 0 HA2 GLY B 60 4.484 12.538 -8.832 1.00 0.88 H new ATOM 0 HA3 GLY B 60 3.722 13.996 -8.227 1.00 0.88 H new ATOM 1362 N ILE B 61 4.037 12.902 -5.587 1.00 0.51 N ATOM 1363 CA ILE B 61 4.718 12.814 -4.302 1.00 0.54 C ATOM 1364 C ILE B 61 4.994 11.376 -3.881 1.00 0.73 C ATOM 1365 O ILE B 61 6.053 11.093 -3.328 1.00 1.81 O ATOM 1366 CB ILE B 61 3.952 13.537 -3.170 1.00 0.58 C ATOM 1367 CG1 ILE B 61 2.467 13.153 -3.154 1.00 0.64 C ATOM 1368 CG2 ILE B 61 4.120 15.041 -3.301 1.00 0.79 C ATOM 1369 CD1 ILE B 61 1.654 13.911 -2.123 1.00 0.79 C ATOM 0 H ILE B 61 3.025 13.013 -5.527 1.00 0.51 H new ATOM 0 HA ILE B 61 5.671 13.321 -4.456 1.00 0.54 H new ATOM 0 HB ILE B 61 4.378 13.217 -2.219 1.00 0.58 H new ATOM 0 HG12 ILE B 61 2.043 13.333 -4.142 1.00 0.64 H new ATOM 0 HG13 ILE B 61 2.379 12.084 -2.959 1.00 0.64 H new ATOM 0 HG21 ILE B 61 3.576 15.539 -2.498 1.00 0.79 H new ATOM 0 HG22 ILE B 61 5.178 15.296 -3.235 1.00 0.79 H new ATOM 0 HG23 ILE B 61 3.727 15.369 -4.263 1.00 0.79 H new ATOM 0 HD11 ILE B 61 0.614 13.587 -2.170 1.00 0.79 H new ATOM 0 HD12 ILE B 61 2.052 13.712 -1.128 1.00 0.79 H new ATOM 0 HD13 ILE B 61 1.711 14.980 -2.329 1.00 0.79 H new ATOM 1381 N PHE B 62 4.074 10.458 -4.148 1.00 0.58 N ATOM 1382 CA PHE B 62 4.217 9.097 -3.650 1.00 0.50 C ATOM 1383 C PHE B 62 4.544 8.136 -4.786 1.00 0.51 C ATOM 1384 O PHE B 62 4.002 8.254 -5.888 1.00 0.76 O ATOM 1385 CB PHE B 62 2.925 8.655 -2.966 1.00 0.50 C ATOM 1386 CG PHE B 62 2.527 9.500 -1.790 1.00 0.48 C ATOM 1387 CD1 PHE B 62 3.363 9.646 -0.694 1.00 0.48 C ATOM 1388 CD2 PHE B 62 1.301 10.135 -1.778 1.00 0.64 C ATOM 1389 CE1 PHE B 62 2.979 10.414 0.389 1.00 0.53 C ATOM 1390 CE2 PHE B 62 0.914 10.905 -0.702 1.00 0.68 C ATOM 1391 CZ PHE B 62 1.752 11.045 0.382 1.00 0.59 C ATOM 0 H PHE B 62 3.232 10.627 -4.699 1.00 0.58 H new ATOM 0 HA PHE B 62 5.036 9.081 -2.931 1.00 0.50 H new ATOM 0 HB2 PHE B 62 2.117 8.669 -3.698 1.00 0.50 H new ATOM 0 HB3 PHE B 62 3.038 7.623 -2.635 1.00 0.50 H new ATOM 0 HD1 PHE B 62 4.325 9.154 -0.686 1.00 0.48 H new ATOM 0 HD2 PHE B 62 0.637 10.027 -2.623 1.00 0.64 H new ATOM 0 HE1 PHE B 62 3.638 10.520 1.238 1.00 0.53 H new ATOM 0 HE2 PHE B 62 -0.047 11.399 -0.709 1.00 0.68 H new ATOM 0 HZ PHE B 62 1.449 11.648 1.225 1.00 0.59 H new ATOM 1401 N THR B 63 5.432 7.191 -4.511 1.00 0.35 N ATOM 1402 CA THR B 63 5.868 6.229 -5.510 1.00 0.38 C ATOM 1403 C THR B 63 5.016 4.957 -5.487 1.00 0.30 C ATOM 1404 O THR B 63 4.395 4.597 -6.482 1.00 0.38 O ATOM 1405 CB THR B 63 7.340 5.841 -5.283 1.00 0.49 C ATOM 1406 OG1 THR B 63 8.107 7.013 -4.981 1.00 0.79 O ATOM 1407 CG2 THR B 63 7.917 5.148 -6.510 1.00 0.66 C ATOM 0 H THR B 63 5.867 7.071 -3.596 1.00 0.35 H new ATOM 0 HA THR B 63 5.754 6.710 -6.481 1.00 0.38 H new ATOM 0 HB THR B 63 7.388 5.146 -4.444 1.00 0.49 H new ATOM 0 HG1 THR B 63 8.026 7.220 -4.027 1.00 0.79 H new ATOM 0 HG21 THR B 63 8.958 4.884 -6.323 1.00 0.66 H new ATOM 0 HG22 THR B 63 7.346 4.244 -6.719 1.00 0.66 H new ATOM 0 HG23 THR B 63 7.861 5.819 -7.367 1.00 0.66 H new ATOM 1415 N HIS B 64 5.010 4.269 -4.347 1.00 0.26 N ATOM 1416 CA HIS B 64 4.369 2.952 -4.234 1.00 0.25 C ATOM 1417 C HIS B 64 2.926 3.022 -3.746 1.00 0.25 C ATOM 1418 O HIS B 64 2.189 2.041 -3.838 1.00 0.54 O ATOM 1419 CB HIS B 64 5.169 2.049 -3.293 1.00 0.34 C ATOM 1420 CG HIS B 64 6.397 1.468 -3.915 1.00 0.43 C ATOM 1421 ND1 HIS B 64 6.827 0.185 -3.665 1.00 0.86 N ATOM 1422 CD2 HIS B 64 7.284 1.996 -4.788 1.00 0.71 C ATOM 1423 CE1 HIS B 64 7.923 -0.051 -4.361 1.00 0.83 C ATOM 1424 NE2 HIS B 64 8.222 1.033 -5.051 1.00 0.68 N ATOM 0 H HIS B 64 5.442 4.599 -3.484 1.00 0.26 H new ATOM 0 HA HIS B 64 4.354 2.538 -5.242 1.00 0.25 H new ATOM 0 HB2 HIS B 64 5.456 2.622 -2.411 1.00 0.34 H new ATOM 0 HB3 HIS B 64 4.527 1.237 -2.951 1.00 0.34 H new ATOM 0 HD1 HIS B 64 6.370 -0.479 -3.040 1.00 0.86 H new ATOM 0 HD2 HIS B 64 7.258 2.993 -5.202 1.00 0.71 H new ATOM 0 HE1 HIS B 64 8.481 -0.976 -4.365 1.00 0.83 H new ATOM 0 HE2 HIS B 64 9.020 1.137 -5.677 1.00 0.68 H new ATOM 1433 N LEU B 65 2.524 4.176 -3.239 1.00 0.32 N ATOM 1434 CA LEU B 65 1.271 4.293 -2.492 1.00 0.22 C ATOM 1435 C LEU B 65 0.037 3.992 -3.352 1.00 0.21 C ATOM 1436 O LEU B 65 -0.838 3.236 -2.931 1.00 0.24 O ATOM 1437 CB LEU B 65 1.164 5.679 -1.841 1.00 0.29 C ATOM 1438 CG LEU B 65 1.989 5.876 -0.552 1.00 0.36 C ATOM 1439 CD1 LEU B 65 1.555 4.896 0.523 1.00 0.84 C ATOM 1440 CD2 LEU B 65 3.480 5.721 -0.811 1.00 0.99 C ATOM 0 H LEU B 65 3.044 5.049 -3.328 1.00 0.32 H new ATOM 0 HA LEU B 65 1.293 3.535 -1.709 1.00 0.22 H new ATOM 0 HB2 LEU B 65 1.477 6.428 -2.569 1.00 0.29 H new ATOM 0 HB3 LEU B 65 0.116 5.874 -1.613 1.00 0.29 H new ATOM 0 HG LEU B 65 1.804 6.893 -0.206 1.00 0.36 H new ATOM 0 HD11 LEU B 65 2.151 5.054 1.422 1.00 0.84 H new ATOM 0 HD12 LEU B 65 0.501 5.052 0.754 1.00 0.84 H new ATOM 0 HD13 LEU B 65 1.701 3.876 0.166 1.00 0.84 H new ATOM 0 HD21 LEU B 65 4.028 5.867 0.120 1.00 0.99 H new ATOM 0 HD22 LEU B 65 3.680 4.722 -1.197 1.00 0.99 H new ATOM 0 HD23 LEU B 65 3.802 6.464 -1.541 1.00 0.99 H new ATOM 1452 N GLU B 66 -0.026 4.559 -4.551 1.00 0.31 N ATOM 1453 CA GLU B 66 -1.163 4.325 -5.447 1.00 0.40 C ATOM 1454 C GLU B 66 -1.245 2.851 -5.818 1.00 0.38 C ATOM 1455 O GLU B 66 -2.321 2.248 -5.837 1.00 0.38 O ATOM 1456 CB GLU B 66 -1.023 5.153 -6.723 1.00 0.53 C ATOM 1457 CG GLU B 66 -2.193 4.994 -7.680 1.00 0.88 C ATOM 1458 CD GLU B 66 -1.939 5.647 -9.019 1.00 1.12 C ATOM 1459 OE1 GLU B 66 -1.196 5.067 -9.837 1.00 1.75 O ATOM 1460 OE2 GLU B 66 -2.480 6.746 -9.259 1.00 1.75 O ATOM 0 H GLU B 66 0.689 5.181 -4.928 1.00 0.31 H new ATOM 0 HA GLU B 66 -2.072 4.623 -4.924 1.00 0.40 H new ATOM 0 HB2 GLU B 66 -0.923 6.205 -6.455 1.00 0.53 H new ATOM 0 HB3 GLU B 66 -0.104 4.866 -7.234 1.00 0.53 H new ATOM 0 HG2 GLU B 66 -2.394 3.933 -7.829 1.00 0.88 H new ATOM 0 HG3 GLU B 66 -3.087 5.428 -7.231 1.00 0.88 H new ATOM 1467 N ARG B 67 -0.086 2.282 -6.091 1.00 0.42 N ATOM 1468 CA ARG B 67 0.034 0.901 -6.513 1.00 0.44 C ATOM 1469 C ARG B 67 -0.451 -0.052 -5.425 1.00 0.39 C ATOM 1470 O ARG B 67 -1.081 -1.067 -5.712 1.00 0.40 O ATOM 1471 CB ARG B 67 1.495 0.624 -6.848 1.00 0.54 C ATOM 1472 CG ARG B 67 1.853 -0.830 -6.934 1.00 0.74 C ATOM 1473 CD ARG B 67 3.340 -0.964 -7.119 1.00 0.86 C ATOM 1474 NE ARG B 67 3.751 -2.343 -7.096 1.00 1.08 N ATOM 1475 CZ ARG B 67 4.109 -2.978 -5.984 1.00 1.45 C ATOM 1476 NH1 ARG B 67 4.003 -2.358 -4.813 1.00 1.71 N ATOM 1477 NH2 ARG B 67 4.548 -4.227 -6.035 1.00 2.07 N ATOM 0 H ARG B 67 0.807 2.771 -6.025 1.00 0.42 H new ATOM 0 HA ARG B 67 -0.590 0.737 -7.391 1.00 0.44 H new ATOM 0 HB2 ARG B 67 1.732 1.100 -7.800 1.00 0.54 H new ATOM 0 HB3 ARG B 67 2.123 1.095 -6.091 1.00 0.54 H new ATOM 0 HG2 ARG B 67 1.539 -1.348 -6.028 1.00 0.74 H new ATOM 0 HG3 ARG B 67 1.327 -1.297 -7.767 1.00 0.74 H new ATOM 0 HD2 ARG B 67 3.632 -0.512 -8.067 1.00 0.86 H new ATOM 0 HD3 ARG B 67 3.857 -0.416 -6.331 1.00 0.86 H new ATOM 0 HE ARG B 67 3.769 -2.859 -7.976 1.00 1.08 H new ATOM 0 HH11 ARG B 67 3.649 -1.402 -4.772 1.00 1.71 H new ATOM 0 HH12 ARG B 67 4.275 -2.838 -3.955 1.00 1.71 H new ATOM 0 HH21 ARG B 67 4.613 -4.708 -6.932 1.00 2.07 H new ATOM 0 HH22 ARG B 67 4.821 -4.707 -5.177 1.00 2.07 H new ATOM 1491 N LEU B 68 -0.164 0.285 -4.176 1.00 0.36 N ATOM 1492 CA LEU B 68 -0.532 -0.565 -3.055 1.00 0.34 C ATOM 1493 C LEU B 68 -2.038 -0.610 -2.829 1.00 0.31 C ATOM 1494 O LEU B 68 -2.538 -1.530 -2.194 1.00 0.41 O ATOM 1495 CB LEU B 68 0.204 -0.126 -1.795 1.00 0.33 C ATOM 1496 CG LEU B 68 1.610 -0.703 -1.676 1.00 0.41 C ATOM 1497 CD1 LEU B 68 2.408 0.024 -0.612 1.00 0.37 C ATOM 1498 CD2 LEU B 68 1.534 -2.188 -1.355 1.00 0.62 C ATOM 0 H LEU B 68 0.323 1.142 -3.914 1.00 0.36 H new ATOM 0 HA LEU B 68 -0.227 -1.582 -3.301 1.00 0.34 H new ATOM 0 HB2 LEU B 68 0.265 0.962 -1.780 1.00 0.33 H new ATOM 0 HB3 LEU B 68 -0.377 -0.425 -0.922 1.00 0.33 H new ATOM 0 HG LEU B 68 2.119 -0.568 -2.630 1.00 0.41 H new ATOM 0 HD11 LEU B 68 3.407 -0.408 -0.548 1.00 0.37 H new ATOM 0 HD12 LEU B 68 2.485 1.080 -0.873 1.00 0.37 H new ATOM 0 HD13 LEU B 68 1.907 -0.076 0.351 1.00 0.37 H new ATOM 0 HD21 LEU B 68 2.542 -2.594 -1.271 1.00 0.62 H new ATOM 0 HD22 LEU B 68 1.006 -2.330 -0.412 1.00 0.62 H new ATOM 0 HD23 LEU B 68 0.999 -2.706 -2.151 1.00 0.62 H new ATOM 1510 N LEU B 69 -2.768 0.345 -3.380 1.00 0.27 N ATOM 1511 CA LEU B 69 -4.224 0.264 -3.330 1.00 0.24 C ATOM 1512 C LEU B 69 -4.700 -0.593 -4.487 1.00 0.25 C ATOM 1513 O LEU B 69 -5.647 -1.377 -4.371 1.00 0.26 O ATOM 1514 CB LEU B 69 -4.902 1.641 -3.375 1.00 0.25 C ATOM 1515 CG LEU B 69 -5.038 2.367 -2.028 1.00 0.24 C ATOM 1516 CD1 LEU B 69 -6.432 2.932 -1.865 1.00 0.26 C ATOM 1517 CD2 LEU B 69 -4.708 1.445 -0.868 1.00 0.30 C ATOM 0 H LEU B 69 -2.393 1.166 -3.856 1.00 0.27 H new ATOM 0 HA LEU B 69 -4.504 -0.183 -2.376 1.00 0.24 H new ATOM 0 HB2 LEU B 69 -4.338 2.280 -4.055 1.00 0.25 H new ATOM 0 HB3 LEU B 69 -5.897 1.520 -3.803 1.00 0.25 H new ATOM 0 HG LEU B 69 -4.322 3.189 -2.022 1.00 0.24 H new ATOM 0 HD11 LEU B 69 -6.508 3.442 -0.905 1.00 0.26 H new ATOM 0 HD12 LEU B 69 -6.634 3.640 -2.669 1.00 0.26 H new ATOM 0 HD13 LEU B 69 -7.160 2.122 -1.904 1.00 0.26 H new ATOM 0 HD21 LEU B 69 -4.814 1.989 0.071 1.00 0.30 H new ATOM 0 HD22 LEU B 69 -5.390 0.595 -0.874 1.00 0.30 H new ATOM 0 HD23 LEU B 69 -3.683 1.088 -0.967 1.00 0.30 H new ATOM 1529 N ASP B 70 -3.981 -0.504 -5.588 1.00 0.30 N ATOM 1530 CA ASP B 70 -4.328 -1.278 -6.757 1.00 0.35 C ATOM 1531 C ASP B 70 -4.112 -2.746 -6.442 1.00 0.38 C ATOM 1532 O ASP B 70 -4.882 -3.599 -6.866 1.00 0.43 O ATOM 1533 CB ASP B 70 -3.500 -0.850 -7.967 1.00 0.43 C ATOM 1534 CG ASP B 70 -3.890 -1.597 -9.227 1.00 0.91 C ATOM 1535 OD1 ASP B 70 -4.913 -1.232 -9.843 1.00 1.62 O ATOM 1536 OD2 ASP B 70 -3.180 -2.552 -9.611 1.00 1.56 O ATOM 0 H ASP B 70 -3.160 0.092 -5.695 1.00 0.30 H new ATOM 0 HA ASP B 70 -5.374 -1.106 -7.011 1.00 0.35 H new ATOM 0 HB2 ASP B 70 -3.625 0.221 -8.129 1.00 0.43 H new ATOM 0 HB3 ASP B 70 -2.444 -1.020 -7.759 1.00 0.43 H new ATOM 1541 N GLU B 71 -3.059 -3.034 -5.678 1.00 0.42 N ATOM 1542 CA GLU B 71 -2.824 -4.363 -5.150 1.00 0.50 C ATOM 1543 C GLU B 71 -3.822 -4.722 -4.045 1.00 0.46 C ATOM 1544 O GLU B 71 -4.527 -5.719 -4.160 1.00 0.49 O ATOM 1545 CB GLU B 71 -1.398 -4.435 -4.602 1.00 0.61 C ATOM 1546 CG GLU B 71 -0.583 -5.587 -5.149 1.00 0.94 C ATOM 1547 CD GLU B 71 -1.153 -6.942 -4.783 1.00 1.47 C ATOM 1548 OE1 GLU B 71 -1.531 -7.702 -5.700 1.00 2.14 O ATOM 1549 OE2 GLU B 71 -1.216 -7.261 -3.584 1.00 2.18 O ATOM 0 H GLU B 71 -2.351 -2.350 -5.412 1.00 0.42 H new ATOM 0 HA GLU B 71 -2.958 -5.081 -5.959 1.00 0.50 H new ATOM 0 HB2 GLU B 71 -0.885 -3.501 -4.830 1.00 0.61 H new ATOM 0 HB3 GLU B 71 -1.441 -4.518 -3.516 1.00 0.61 H new ATOM 0 HG2 GLU B 71 -0.529 -5.503 -6.234 1.00 0.94 H new ATOM 0 HG3 GLU B 71 0.437 -5.514 -4.772 1.00 0.94 H new ATOM 1556 N GLU B 72 -3.902 -3.899 -2.991 1.00 0.43 N ATOM 1557 CA GLU B 72 -4.711 -4.241 -1.816 1.00 0.45 C ATOM 1558 C GLU B 72 -6.188 -4.332 -2.183 1.00 0.42 C ATOM 1559 O GLU B 72 -6.855 -5.312 -1.869 1.00 0.47 O ATOM 1560 CB GLU B 72 -4.514 -3.232 -0.672 1.00 0.46 C ATOM 1561 CG GLU B 72 -5.323 -3.583 0.569 1.00 0.57 C ATOM 1562 CD GLU B 72 -4.978 -2.756 1.794 1.00 0.91 C ATOM 1563 OE1 GLU B 72 -4.094 -3.175 2.558 1.00 1.69 O ATOM 1564 OE2 GLU B 72 -5.623 -1.723 2.034 1.00 1.33 O ATOM 0 H GLU B 72 -3.422 -3.001 -2.928 1.00 0.43 H new ATOM 0 HA GLU B 72 -4.371 -5.216 -1.466 1.00 0.45 H new ATOM 0 HB2 GLU B 72 -3.457 -3.188 -0.411 1.00 0.46 H new ATOM 0 HB3 GLU B 72 -4.799 -2.238 -1.017 1.00 0.46 H new ATOM 0 HG2 GLU B 72 -6.382 -3.456 0.346 1.00 0.57 H new ATOM 0 HG3 GLU B 72 -5.171 -4.637 0.802 1.00 0.57 H new ATOM 1571 N ILE B 73 -6.668 -3.332 -2.903 1.00 0.35 N ATOM 1572 CA ILE B 73 -8.068 -3.275 -3.298 1.00 0.35 C ATOM 1573 C ILE B 73 -8.398 -4.454 -4.187 1.00 0.40 C ATOM 1574 O ILE B 73 -9.435 -5.098 -4.029 1.00 0.45 O ATOM 1575 CB ILE B 73 -8.398 -1.956 -4.030 1.00 0.29 C ATOM 1576 CG1 ILE B 73 -8.479 -0.820 -3.020 1.00 0.27 C ATOM 1577 CG2 ILE B 73 -9.691 -2.062 -4.826 1.00 0.33 C ATOM 1578 CD1 ILE B 73 -8.781 0.523 -3.636 1.00 0.27 C ATOM 0 H ILE B 73 -6.107 -2.545 -3.228 1.00 0.35 H new ATOM 0 HA ILE B 73 -8.675 -3.316 -2.393 1.00 0.35 H new ATOM 0 HB ILE B 73 -7.599 -1.750 -4.743 1.00 0.29 H new ATOM 0 HG12 ILE B 73 -9.250 -1.054 -2.286 1.00 0.27 H new ATOM 0 HG13 ILE B 73 -7.534 -0.758 -2.481 1.00 0.27 H new ATOM 0 HG21 ILE B 73 -9.889 -1.114 -5.327 1.00 0.33 H new ATOM 0 HG22 ILE B 73 -9.596 -2.853 -5.570 1.00 0.33 H new ATOM 0 HG23 ILE B 73 -10.515 -2.295 -4.152 1.00 0.33 H new ATOM 0 HD11 ILE B 73 -8.823 1.281 -2.854 1.00 0.27 H new ATOM 0 HD12 ILE B 73 -7.998 0.780 -4.349 1.00 0.27 H new ATOM 0 HD13 ILE B 73 -9.741 0.480 -4.151 1.00 0.27 H new ATOM 1590 N SER B 74 -7.491 -4.752 -5.101 1.00 0.41 N ATOM 1591 CA SER B 74 -7.688 -5.878 -6.007 1.00 0.49 C ATOM 1592 C SER B 74 -7.685 -7.208 -5.248 1.00 0.54 C ATOM 1593 O SER B 74 -8.594 -8.020 -5.405 1.00 0.60 O ATOM 1594 CB SER B 74 -6.611 -5.895 -7.090 1.00 0.52 C ATOM 1595 OG SER B 74 -6.855 -6.914 -8.044 1.00 1.34 O ATOM 0 H SER B 74 -6.620 -4.239 -5.238 1.00 0.41 H new ATOM 0 HA SER B 74 -8.663 -5.753 -6.479 1.00 0.49 H new ATOM 0 HB2 SER B 74 -6.579 -4.927 -7.589 1.00 0.52 H new ATOM 0 HB3 SER B 74 -5.634 -6.049 -6.632 1.00 0.52 H new ATOM 0 HG SER B 74 -6.151 -6.900 -8.725 1.00 1.34 H new ATOM 1601 N ARG B 75 -6.694 -7.398 -4.385 1.00 0.56 N ATOM 1602 CA ARG B 75 -6.488 -8.695 -3.742 1.00 0.63 C ATOM 1603 C ARG B 75 -7.591 -8.970 -2.723 1.00 0.65 C ATOM 1604 O ARG B 75 -8.039 -10.108 -2.576 1.00 0.72 O ATOM 1605 CB ARG B 75 -5.096 -8.796 -3.099 1.00 0.74 C ATOM 1606 CG ARG B 75 -4.858 -7.840 -1.943 1.00 0.76 C ATOM 1607 CD ARG B 75 -3.409 -7.881 -1.477 1.00 1.26 C ATOM 1608 NE ARG B 75 -3.029 -9.195 -0.955 1.00 1.84 N ATOM 1609 CZ ARG B 75 -1.808 -9.727 -1.071 1.00 2.74 C ATOM 1610 NH1 ARG B 75 -0.867 -9.114 -1.783 1.00 3.06 N ATOM 1611 NH2 ARG B 75 -1.539 -10.898 -0.506 1.00 3.67 N ATOM 0 H ARG B 75 -6.024 -6.678 -4.114 1.00 0.56 H new ATOM 0 HA ARG B 75 -6.539 -9.462 -4.515 1.00 0.63 H new ATOM 0 HB2 ARG B 75 -4.948 -9.816 -2.745 1.00 0.74 H new ATOM 0 HB3 ARG B 75 -4.343 -8.612 -3.865 1.00 0.74 H new ATOM 0 HG2 ARG B 75 -5.115 -6.826 -2.249 1.00 0.76 H new ATOM 0 HG3 ARG B 75 -5.516 -8.099 -1.113 1.00 0.76 H new ATOM 0 HD2 ARG B 75 -2.755 -7.620 -2.309 1.00 1.26 H new ATOM 0 HD3 ARG B 75 -3.257 -7.128 -0.704 1.00 1.26 H new ATOM 0 HE ARG B 75 -3.742 -9.740 -0.471 1.00 1.84 H new ATOM 0 HH11 ARG B 75 -1.074 -8.229 -2.247 1.00 3.06 H new ATOM 0 HH12 ARG B 75 0.061 -9.528 -1.865 1.00 3.06 H new ATOM 0 HH21 ARG B 75 -2.264 -11.391 0.016 1.00 3.67 H new ATOM 0 HH22 ARG B 75 -0.608 -11.305 -0.594 1.00 3.67 H new ATOM 1625 N VAL B 76 -8.037 -7.917 -2.042 1.00 0.62 N ATOM 1626 CA VAL B 76 -9.163 -8.016 -1.115 1.00 0.67 C ATOM 1627 C VAL B 76 -10.419 -8.520 -1.826 1.00 0.71 C ATOM 1628 O VAL B 76 -11.220 -9.239 -1.242 1.00 0.84 O ATOM 1629 CB VAL B 76 -9.462 -6.654 -0.441 1.00 0.61 C ATOM 1630 CG1 VAL B 76 -10.774 -6.684 0.333 1.00 0.64 C ATOM 1631 CG2 VAL B 76 -8.325 -6.262 0.488 1.00 0.59 C ATOM 0 H VAL B 76 -7.635 -6.982 -2.115 1.00 0.62 H new ATOM 0 HA VAL B 76 -8.879 -8.733 -0.344 1.00 0.67 H new ATOM 0 HB VAL B 76 -9.555 -5.911 -1.233 1.00 0.61 H new ATOM 0 HG11 VAL B 76 -10.948 -5.711 0.791 1.00 0.64 H new ATOM 0 HG12 VAL B 76 -11.593 -6.917 -0.348 1.00 0.64 H new ATOM 0 HG13 VAL B 76 -10.721 -7.446 1.110 1.00 0.64 H new ATOM 0 HG21 VAL B 76 -8.550 -5.303 0.954 1.00 0.59 H new ATOM 0 HG22 VAL B 76 -8.208 -7.022 1.260 1.00 0.59 H new ATOM 0 HG23 VAL B 76 -7.400 -6.180 -0.083 1.00 0.59 H new ATOM 1641 N ARG B 77 -10.555 -8.187 -3.102 1.00 0.66 N ATOM 1642 CA ARG B 77 -11.757 -8.541 -3.850 1.00 0.73 C ATOM 1643 C ARG B 77 -11.844 -10.048 -4.065 1.00 0.87 C ATOM 1644 O ARG B 77 -12.934 -10.615 -4.089 1.00 0.98 O ATOM 1645 CB ARG B 77 -11.806 -7.807 -5.191 1.00 0.75 C ATOM 1646 CG ARG B 77 -12.110 -6.324 -5.057 1.00 0.80 C ATOM 1647 CD ARG B 77 -12.077 -5.622 -6.404 1.00 0.84 C ATOM 1648 NE ARG B 77 -12.497 -4.225 -6.308 1.00 1.38 N ATOM 1649 CZ ARG B 77 -12.037 -3.247 -7.087 1.00 1.70 C ATOM 1650 NH1 ARG B 77 -11.125 -3.504 -8.019 1.00 1.45 N ATOM 1651 NH2 ARG B 77 -12.489 -2.009 -6.930 1.00 2.73 N ATOM 0 H ARG B 77 -9.855 -7.676 -3.639 1.00 0.66 H new ATOM 0 HA ARG B 77 -12.618 -8.229 -3.258 1.00 0.73 H new ATOM 0 HB2 ARG B 77 -10.849 -7.930 -5.699 1.00 0.75 H new ATOM 0 HB3 ARG B 77 -12.564 -8.270 -5.823 1.00 0.75 H new ATOM 0 HG2 ARG B 77 -13.092 -6.193 -4.602 1.00 0.80 H new ATOM 0 HG3 ARG B 77 -11.384 -5.862 -4.388 1.00 0.80 H new ATOM 0 HD2 ARG B 77 -11.067 -5.669 -6.812 1.00 0.84 H new ATOM 0 HD3 ARG B 77 -12.728 -6.148 -7.102 1.00 0.84 H new ATOM 0 HE ARG B 77 -13.188 -3.983 -5.598 1.00 1.38 H new ATOM 0 HH11 ARG B 77 -10.774 -4.454 -8.141 1.00 1.45 H new ATOM 0 HH12 ARG B 77 -10.776 -2.751 -8.613 1.00 1.45 H new ATOM 0 HH21 ARG B 77 -13.187 -1.808 -6.214 1.00 2.73 H new ATOM 0 HH22 ARG B 77 -12.138 -1.259 -7.525 1.00 2.73 H new ATOM 1665 N LYS B 78 -10.695 -10.691 -4.220 1.00 0.90 N ATOM 1666 CA LYS B 78 -10.654 -12.135 -4.358 1.00 1.08 C ATOM 1667 C LYS B 78 -10.660 -12.784 -2.987 1.00 1.12 C ATOM 1668 O LYS B 78 -11.448 -13.690 -2.716 1.00 1.32 O ATOM 1669 CB LYS B 78 -9.400 -12.582 -5.106 1.00 1.13 C ATOM 1670 CG LYS B 78 -9.284 -12.049 -6.519 1.00 1.35 C ATOM 1671 CD LYS B 78 -8.544 -10.729 -6.526 1.00 2.01 C ATOM 1672 CE LYS B 78 -8.537 -10.089 -7.905 1.00 2.67 C ATOM 1673 NZ LYS B 78 -7.792 -10.913 -8.893 1.00 3.44 N ATOM 0 H LYS B 78 -9.783 -10.235 -4.253 1.00 0.90 H new ATOM 0 HA LYS B 78 -11.533 -12.441 -4.925 1.00 1.08 H new ATOM 0 HB2 LYS B 78 -8.524 -12.267 -4.540 1.00 1.13 H new ATOM 0 HB3 LYS B 78 -9.382 -13.671 -5.140 1.00 1.13 H new ATOM 0 HG2 LYS B 78 -8.759 -12.771 -7.145 1.00 1.35 H new ATOM 0 HG3 LYS B 78 -10.278 -11.918 -6.948 1.00 1.35 H new ATOM 0 HD2 LYS B 78 -9.009 -10.049 -5.813 1.00 2.01 H new ATOM 0 HD3 LYS B 78 -7.518 -10.887 -6.194 1.00 2.01 H new ATOM 0 HE2 LYS B 78 -9.563 -9.951 -8.247 1.00 2.67 H new ATOM 0 HE3 LYS B 78 -8.086 -9.099 -7.844 1.00 2.67 H new ATOM 0 HZ1 LYS B 78 -7.737 -10.404 -9.798 1.00 3.44 H new ATOM 0 HZ2 LYS B 78 -6.831 -11.095 -8.539 1.00 3.44 H new ATOM 0 HZ3 LYS B 78 -8.286 -11.817 -9.034 1.00 3.44 H new