USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 601 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 41 CYS SG : rot 26:sc= -4.89! USER MOD Set 1.2: A 51 THR OG1 : rot 132:sc= 0.898 USER MOD Set 2.1: A 19 LYS NZ :NH3+ -160:sc= -0.0295 (180deg=-0.293) USER MOD Set 2.2: A 78 TYR OH : rot 157:sc= -1.12 USER MOD Single : A 10 THR OG1 : rot -40:sc= 0.805 USER MOD Single : A 16 ASN : amide:sc= -0.517 K(o=-0.52,f=-1.2) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -102:sc= 0.899 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0458 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0103 USER MOD Single : A 34 GLN : amide:sc= -0.0168 X(o=-0.017,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot -133:sc= -1.43 USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.0441 F(o=-1,f=-0.044) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0161 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -86:sc= 1.27 USER MOD Single : A 70 ASN : amide:sc= -0.0269 X(o=-0.027,f=-0.18) USER MOD Single : A 80 MET CE :methyl -134:sc= -0.0889 (180deg=-1.22) USER MOD ----------------------------------------------------------------- ATOM 103 N THR A 10 0.139 -14.821 -4.855 1.00 0.00 N ATOM 104 CA THR A 10 0.331 -13.387 -4.724 1.00 0.00 C ATOM 105 C THR A 10 0.065 -12.688 -6.059 1.00 0.00 C ATOM 106 O THR A 10 0.272 -13.272 -7.121 1.00 0.00 O ATOM 107 CB THR A 10 1.742 -13.147 -4.183 1.00 0.00 C ATOM 108 OG1 THR A 10 2.539 -14.126 -4.844 1.00 0.00 O ATOM 109 CG2 THR A 10 1.869 -13.502 -2.700 1.00 0.00 C ATOM 0 HA THR A 10 -0.381 -12.956 -4.020 1.00 0.00 H new ATOM 0 HB THR A 10 2.014 -12.102 -4.330 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.042 -14.969 -4.900 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.890 -13.313 -2.367 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.179 -12.890 -2.119 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.629 -14.556 -2.556 1.00 0.00 H new ATOM 117 N VAL A 11 -0.389 -11.447 -5.961 1.00 0.00 N ATOM 118 CA VAL A 11 -0.685 -10.663 -7.147 1.00 0.00 C ATOM 119 C VAL A 11 0.379 -9.577 -7.314 1.00 0.00 C ATOM 120 O VAL A 11 1.134 -9.294 -6.385 1.00 0.00 O ATOM 121 CB VAL A 11 -2.105 -10.100 -7.061 1.00 0.00 C ATOM 122 CG1 VAL A 11 -3.144 -11.222 -7.117 1.00 0.00 C ATOM 123 CG2 VAL A 11 -2.283 -9.251 -5.801 1.00 0.00 C ATOM 0 H VAL A 11 -0.559 -10.965 -5.078 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.652 -11.291 -8.038 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.262 -9.454 -7.925 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.145 -10.795 -7.054 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.041 -11.767 -8.055 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.988 -11.905 -6.282 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.301 -8.863 -5.764 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.097 -9.865 -4.920 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.578 -8.420 -5.820 1.00 0.00 H new ATOM 133 N ARG A 12 0.406 -8.998 -8.506 1.00 0.00 N ATOM 134 CA ARG A 12 1.366 -7.949 -8.807 1.00 0.00 C ATOM 135 C ARG A 12 0.770 -6.577 -8.488 1.00 0.00 C ATOM 136 O ARG A 12 -0.290 -6.222 -9.002 1.00 0.00 O ATOM 137 CB ARG A 12 1.781 -7.988 -10.279 1.00 0.00 C ATOM 138 CG ARG A 12 2.972 -8.926 -10.488 1.00 0.00 C ATOM 139 CD ARG A 12 3.694 -8.611 -11.800 1.00 0.00 C ATOM 140 NE ARG A 12 4.955 -9.382 -11.881 1.00 0.00 N ATOM 141 CZ ARG A 12 5.719 -9.458 -12.979 1.00 0.00 C ATOM 142 NH1 ARG A 12 5.356 -8.810 -14.095 1.00 0.00 N ATOM 143 NH2 ARG A 12 6.847 -10.181 -12.962 1.00 0.00 N ATOM 0 H ARG A 12 -0.221 -9.235 -9.274 1.00 0.00 H new ATOM 0 HA ARG A 12 2.247 -8.119 -8.189 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.941 -8.320 -10.889 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.041 -6.984 -10.614 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.667 -8.829 -9.654 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.628 -9.960 -10.497 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.052 -8.857 -12.646 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.906 -7.544 -11.861 1.00 0.00 H new ATOM 0 HE ARG A 12 5.261 -9.887 -11.049 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.498 -8.259 -14.108 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.938 -8.868 -14.931 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.124 -10.674 -12.113 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.428 -10.239 -13.798 1.00 0.00 H new ATOM 157 N VAL A 13 1.476 -5.842 -7.642 1.00 0.00 N ATOM 158 CA VAL A 13 1.030 -4.516 -7.250 1.00 0.00 C ATOM 159 C VAL A 13 2.136 -3.501 -7.545 1.00 0.00 C ATOM 160 O VAL A 13 3.310 -3.763 -7.284 1.00 0.00 O ATOM 161 CB VAL A 13 0.601 -4.522 -5.781 1.00 0.00 C ATOM 162 CG1 VAL A 13 0.360 -3.098 -5.274 1.00 0.00 C ATOM 163 CG2 VAL A 13 -0.638 -5.395 -5.575 1.00 0.00 C ATOM 0 H VAL A 13 2.354 -6.140 -7.217 1.00 0.00 H new ATOM 0 HA VAL A 13 0.156 -4.221 -7.830 1.00 0.00 H new ATOM 0 HB VAL A 13 1.414 -4.952 -5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.056 -3.131 -4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.278 -2.518 -5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.427 -2.629 -5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.922 -5.382 -4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.460 -5.008 -6.177 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.417 -6.418 -5.878 1.00 0.00 H new ATOM 173 N VAL A 14 1.724 -2.365 -8.087 1.00 0.00 N ATOM 174 CA VAL A 14 2.665 -1.310 -8.421 1.00 0.00 C ATOM 175 C VAL A 14 2.770 -0.334 -7.247 1.00 0.00 C ATOM 176 O VAL A 14 1.772 0.253 -6.833 1.00 0.00 O ATOM 177 CB VAL A 14 2.248 -0.630 -9.727 1.00 0.00 C ATOM 178 CG1 VAL A 14 3.235 0.475 -10.109 1.00 0.00 C ATOM 179 CG2 VAL A 14 2.107 -1.653 -10.856 1.00 0.00 C ATOM 0 H VAL A 14 0.750 -2.152 -8.303 1.00 0.00 H new ATOM 0 HA VAL A 14 3.659 -1.725 -8.589 1.00 0.00 H new ATOM 0 HB VAL A 14 1.273 -0.169 -9.569 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.916 0.942 -11.041 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.265 1.225 -9.319 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.228 0.046 -10.240 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.810 -1.144 -11.773 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.061 -2.156 -11.013 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.349 -2.389 -10.588 1.00 0.00 H new ATOM 189 N ILE A 15 3.987 -0.192 -6.744 1.00 0.00 N ATOM 190 CA ILE A 15 4.235 0.702 -5.625 1.00 0.00 C ATOM 191 C ILE A 15 4.902 1.980 -6.138 1.00 0.00 C ATOM 192 O ILE A 15 6.123 2.035 -6.276 1.00 0.00 O ATOM 193 CB ILE A 15 5.034 -0.013 -4.534 1.00 0.00 C ATOM 194 CG1 ILE A 15 4.330 -1.298 -4.092 1.00 0.00 C ATOM 195 CG2 ILE A 15 5.312 0.922 -3.356 1.00 0.00 C ATOM 196 CD1 ILE A 15 3.051 -0.983 -3.314 1.00 0.00 C ATOM 0 H ILE A 15 4.812 -0.681 -7.090 1.00 0.00 H new ATOM 0 HA ILE A 15 3.296 0.997 -5.158 1.00 0.00 H new ATOM 0 HB ILE A 15 5.999 -0.301 -4.951 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.089 -1.904 -4.966 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.002 -1.889 -3.470 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.881 0.389 -2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.885 1.782 -3.702 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.368 1.262 -2.931 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.570 -1.914 -3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.299 -0.398 -2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.371 -0.413 -3.947 1.00 0.00 H new ATOM 208 N ASN A 16 4.071 2.977 -6.405 1.00 0.00 N ATOM 209 CA ASN A 16 4.565 4.251 -6.899 1.00 0.00 C ATOM 210 C ASN A 16 4.975 5.128 -5.714 1.00 0.00 C ATOM 211 O ASN A 16 4.181 5.358 -4.803 1.00 0.00 O ATOM 212 CB ASN A 16 3.483 4.994 -7.685 1.00 0.00 C ATOM 213 CG ASN A 16 3.204 4.303 -9.021 1.00 0.00 C ATOM 214 OD1 ASN A 16 3.916 4.471 -9.997 1.00 0.00 O ATOM 215 ND2 ASN A 16 2.130 3.518 -9.010 1.00 0.00 N ATOM 0 H ASN A 16 3.059 2.928 -6.289 1.00 0.00 H new ATOM 0 HA ASN A 16 5.414 4.053 -7.553 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.567 5.039 -7.096 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.798 6.022 -7.862 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.859 3.012 -9.853 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.577 3.422 -8.158 1.00 0.00 H new ATOM 222 N PHE A 17 6.214 5.594 -5.765 1.00 0.00 N ATOM 223 CA PHE A 17 6.739 6.441 -4.708 1.00 0.00 C ATOM 224 C PHE A 17 7.668 7.516 -5.276 1.00 0.00 C ATOM 225 O PHE A 17 8.225 7.350 -6.360 1.00 0.00 O ATOM 226 CB PHE A 17 7.539 5.538 -3.767 1.00 0.00 C ATOM 227 CG PHE A 17 8.848 5.021 -4.366 1.00 0.00 C ATOM 228 CD1 PHE A 17 9.958 5.807 -4.356 1.00 0.00 C ATOM 229 CD2 PHE A 17 8.903 3.775 -4.908 1.00 0.00 C ATOM 230 CE1 PHE A 17 11.174 5.327 -4.912 1.00 0.00 C ATOM 231 CE2 PHE A 17 10.118 3.294 -5.464 1.00 0.00 C ATOM 232 CZ PHE A 17 11.228 4.080 -5.454 1.00 0.00 C ATOM 0 H PHE A 17 6.870 5.401 -6.522 1.00 0.00 H new ATOM 0 HA PHE A 17 5.920 6.943 -4.192 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.762 6.089 -2.853 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.920 4.687 -3.483 1.00 0.00 H new ATOM 0 HD1 PHE A 17 9.915 6.796 -3.925 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.022 3.151 -4.916 1.00 0.00 H new ATOM 0 HE1 PHE A 17 12.055 5.951 -4.905 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.161 2.304 -5.895 1.00 0.00 H new ATOM 0 HZ PHE A 17 12.152 3.714 -5.876 1.00 0.00 H new ATOM 242 N LYS A 18 7.805 8.595 -4.519 1.00 0.00 N ATOM 243 CA LYS A 18 8.656 9.697 -4.934 1.00 0.00 C ATOM 244 C LYS A 18 8.019 10.406 -6.130 1.00 0.00 C ATOM 245 O LYS A 18 8.645 11.261 -6.756 1.00 0.00 O ATOM 246 CB LYS A 18 10.080 9.203 -5.199 1.00 0.00 C ATOM 247 CG LYS A 18 10.976 9.432 -3.980 1.00 0.00 C ATOM 248 CD LYS A 18 12.432 9.639 -4.400 1.00 0.00 C ATOM 249 CE LYS A 18 13.387 8.924 -3.442 1.00 0.00 C ATOM 250 NZ LYS A 18 14.274 9.899 -2.771 1.00 0.00 N ATOM 0 H LYS A 18 7.341 8.729 -3.621 1.00 0.00 H new ATOM 0 HA LYS A 18 8.742 10.434 -4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.060 8.142 -5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.495 9.724 -6.062 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.626 10.303 -3.426 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.906 8.577 -3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.579 9.264 -5.413 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.661 10.705 -4.419 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.816 8.370 -2.697 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.985 8.197 -3.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.916 9.397 -2.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.832 10.410 -3.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.699 10.577 -2.231 1.00 0.00 H new ATOM 264 N LYS A 19 6.782 10.025 -6.413 1.00 0.00 N ATOM 265 CA LYS A 19 6.053 10.614 -7.523 1.00 0.00 C ATOM 266 C LYS A 19 6.960 10.665 -8.754 1.00 0.00 C ATOM 267 O LYS A 19 6.879 11.598 -9.551 1.00 0.00 O ATOM 268 CB LYS A 19 5.479 11.976 -7.125 1.00 0.00 C ATOM 269 CG LYS A 19 4.076 11.827 -6.532 1.00 0.00 C ATOM 270 CD LYS A 19 3.185 13.005 -6.931 1.00 0.00 C ATOM 271 CE LYS A 19 3.453 14.221 -6.042 1.00 0.00 C ATOM 272 NZ LYS A 19 2.916 13.996 -4.681 1.00 0.00 N ATOM 0 H LYS A 19 6.266 9.315 -5.893 1.00 0.00 H new ATOM 0 HA LYS A 19 5.194 9.996 -7.785 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.136 12.453 -6.398 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.442 12.628 -7.998 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.629 10.895 -6.877 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.141 11.767 -5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.366 13.266 -7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.137 12.716 -6.852 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.525 14.411 -5.990 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.993 15.107 -6.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.794 14.910 -4.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.997 13.513 -4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.579 13.406 -4.139 1.00 0.00 H new ATOM 286 N THR A 20 7.804 9.650 -8.870 1.00 0.00 N ATOM 287 CA THR A 20 8.726 9.567 -9.990 1.00 0.00 C ATOM 288 C THR A 20 9.149 8.116 -10.226 1.00 0.00 C ATOM 289 O THR A 20 9.170 7.649 -11.364 1.00 0.00 O ATOM 290 CB THR A 20 9.901 10.504 -9.705 1.00 0.00 C ATOM 291 OG1 THR A 20 10.255 10.217 -8.355 1.00 0.00 O ATOM 292 CG2 THR A 20 9.483 11.976 -9.676 1.00 0.00 C ATOM 0 H THR A 20 7.869 8.878 -8.207 1.00 0.00 H new ATOM 0 HA THR A 20 8.252 9.889 -10.917 1.00 0.00 H new ATOM 0 HB THR A 20 10.671 10.360 -10.463 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.897 10.915 -7.768 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.354 12.598 -9.470 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.060 12.253 -10.641 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.737 12.127 -8.896 1.00 0.00 H new ATOM 300 N GLN A 21 9.475 7.443 -9.133 1.00 0.00 N ATOM 301 CA GLN A 21 9.897 6.054 -9.206 1.00 0.00 C ATOM 302 C GLN A 21 8.791 5.135 -8.684 1.00 0.00 C ATOM 303 O GLN A 21 7.908 5.576 -7.949 1.00 0.00 O ATOM 304 CB GLN A 21 11.201 5.836 -8.436 1.00 0.00 C ATOM 305 CG GLN A 21 12.390 6.432 -9.191 1.00 0.00 C ATOM 306 CD GLN A 21 13.707 6.111 -8.481 1.00 0.00 C ATOM 307 OE1 GLN A 21 13.791 5.229 -7.643 1.00 0.00 O ATOM 308 NE2 GLN A 21 14.727 6.875 -8.862 1.00 0.00 N ATOM 0 H GLN A 21 9.456 7.834 -8.191 1.00 0.00 H new ATOM 0 HA GLN A 21 10.085 5.806 -10.251 1.00 0.00 H new ATOM 0 HB2 GLN A 21 11.126 6.294 -7.450 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.362 4.769 -8.281 1.00 0.00 H new ATOM 0 HG2 GLN A 21 12.415 6.038 -10.207 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.270 7.512 -9.271 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.588 7.596 -9.570 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.649 6.740 -8.447 1.00 0.00 H new ATOM 317 N LYS A 22 8.875 3.875 -9.085 1.00 0.00 N ATOM 318 CA LYS A 22 7.892 2.890 -8.666 1.00 0.00 C ATOM 319 C LYS A 22 8.540 1.505 -8.648 1.00 0.00 C ATOM 320 O LYS A 22 9.486 1.248 -9.390 1.00 0.00 O ATOM 321 CB LYS A 22 6.643 2.973 -9.546 1.00 0.00 C ATOM 322 CG LYS A 22 6.997 2.778 -11.022 1.00 0.00 C ATOM 323 CD LYS A 22 7.307 1.311 -11.322 1.00 0.00 C ATOM 324 CE LYS A 22 6.699 0.885 -12.660 1.00 0.00 C ATOM 325 NZ LYS A 22 7.545 -0.140 -13.311 1.00 0.00 N ATOM 0 H LYS A 22 9.608 3.514 -9.695 1.00 0.00 H new ATOM 0 HA LYS A 22 7.554 3.097 -7.651 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.925 2.213 -9.237 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.161 3.941 -9.409 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.168 3.113 -11.646 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.858 3.395 -11.278 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.386 1.161 -11.345 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.914 0.682 -10.523 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.696 0.489 -12.501 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.600 1.752 -13.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.118 -0.418 -14.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.494 0.250 -13.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.618 -0.973 -12.693 1.00 0.00 H new ATOM 339 N THR A 23 8.005 0.647 -7.791 1.00 0.00 N ATOM 340 CA THR A 23 8.520 -0.705 -7.665 1.00 0.00 C ATOM 341 C THR A 23 7.373 -1.718 -7.698 1.00 0.00 C ATOM 342 O THR A 23 6.223 -1.366 -7.443 1.00 0.00 O ATOM 343 CB THR A 23 9.357 -0.776 -6.387 1.00 0.00 C ATOM 344 OG1 THR A 23 9.963 -2.065 -6.439 1.00 0.00 O ATOM 345 CG2 THR A 23 8.495 -0.821 -5.124 1.00 0.00 C ATOM 0 H THR A 23 7.220 0.863 -7.177 1.00 0.00 H new ATOM 0 HA THR A 23 9.164 -0.963 -8.506 1.00 0.00 H new ATOM 0 HB THR A 23 10.023 0.086 -6.342 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.526 -2.194 -5.647 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.139 -0.871 -4.246 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.879 0.077 -5.072 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.852 -1.701 -5.153 1.00 0.00 H new ATOM 353 N ILE A 24 7.727 -2.955 -8.013 1.00 0.00 N ATOM 354 CA ILE A 24 6.742 -4.021 -8.082 1.00 0.00 C ATOM 355 C ILE A 24 7.010 -5.030 -6.964 1.00 0.00 C ATOM 356 O ILE A 24 8.162 -5.345 -6.669 1.00 0.00 O ATOM 357 CB ILE A 24 6.722 -4.642 -9.480 1.00 0.00 C ATOM 358 CG1 ILE A 24 6.146 -3.665 -10.506 1.00 0.00 C ATOM 359 CG2 ILE A 24 5.974 -5.977 -9.476 1.00 0.00 C ATOM 360 CD1 ILE A 24 4.640 -3.484 -10.306 1.00 0.00 C ATOM 0 H ILE A 24 8.683 -3.243 -8.223 1.00 0.00 H new ATOM 0 HA ILE A 24 5.739 -3.625 -7.920 1.00 0.00 H new ATOM 0 HB ILE A 24 7.750 -4.850 -9.776 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.647 -2.701 -10.416 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.341 -4.033 -11.513 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.974 -6.397 -10.482 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.468 -6.669 -8.793 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.946 -5.817 -9.150 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.256 -2.784 -11.048 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.140 -4.446 -10.420 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.450 -3.093 -9.307 1.00 0.00 H new ATOM 372 N VAL A 25 5.926 -5.509 -6.371 1.00 0.00 N ATOM 373 CA VAL A 25 6.030 -6.477 -5.291 1.00 0.00 C ATOM 374 C VAL A 25 4.896 -7.496 -5.415 1.00 0.00 C ATOM 375 O VAL A 25 3.846 -7.196 -5.982 1.00 0.00 O ATOM 376 CB VAL A 25 6.041 -5.756 -3.942 1.00 0.00 C ATOM 377 CG1 VAL A 25 7.202 -4.761 -3.861 1.00 0.00 C ATOM 378 CG2 VAL A 25 4.704 -5.060 -3.681 1.00 0.00 C ATOM 0 H VAL A 25 4.972 -5.245 -6.617 1.00 0.00 H new ATOM 0 HA VAL A 25 6.969 -7.026 -5.359 1.00 0.00 H new ATOM 0 HB VAL A 25 6.186 -6.505 -3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.187 -4.262 -2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.146 -5.293 -3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.101 -4.019 -4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.739 -4.555 -2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.515 -4.328 -4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.904 -5.800 -3.675 1.00 0.00 H new ATOM 388 N ARG A 26 5.145 -8.680 -4.876 1.00 0.00 N ATOM 389 CA ARG A 26 4.158 -9.745 -4.919 1.00 0.00 C ATOM 390 C ARG A 26 3.598 -10.006 -3.519 1.00 0.00 C ATOM 391 O ARG A 26 4.306 -10.507 -2.647 1.00 0.00 O ATOM 392 CB ARG A 26 4.766 -11.038 -5.466 1.00 0.00 C ATOM 393 CG ARG A 26 4.096 -11.446 -6.780 1.00 0.00 C ATOM 394 CD ARG A 26 5.091 -12.140 -7.711 1.00 0.00 C ATOM 395 NE ARG A 26 4.397 -13.167 -8.519 1.00 0.00 N ATOM 396 CZ ARG A 26 5.023 -14.068 -9.288 1.00 0.00 C ATOM 397 NH1 ARG A 26 6.361 -14.074 -9.359 1.00 0.00 N ATOM 398 NH2 ARG A 26 4.311 -14.963 -9.987 1.00 0.00 N ATOM 0 H ARG A 26 6.017 -8.925 -4.407 1.00 0.00 H new ATOM 0 HA ARG A 26 3.354 -9.426 -5.583 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.836 -10.902 -5.626 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.652 -11.836 -4.733 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.259 -12.114 -6.574 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.686 -10.564 -7.272 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.561 -11.407 -8.366 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.887 -12.602 -7.127 1.00 0.00 H new ATOM 0 HE ARG A 26 3.378 -13.191 -8.489 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.903 -13.393 -8.828 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.838 -14.760 -9.944 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.292 -14.958 -9.934 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.788 -15.649 -10.572 1.00 0.00 H new ATOM 412 N VAL A 27 2.332 -9.655 -3.348 1.00 0.00 N ATOM 413 CA VAL A 27 1.668 -9.845 -2.070 1.00 0.00 C ATOM 414 C VAL A 27 0.281 -10.447 -2.304 1.00 0.00 C ATOM 415 O VAL A 27 -0.177 -10.534 -3.442 1.00 0.00 O ATOM 416 CB VAL A 27 1.624 -8.522 -1.302 1.00 0.00 C ATOM 417 CG1 VAL A 27 2.947 -8.263 -0.579 1.00 0.00 C ATOM 418 CG2 VAL A 27 1.270 -7.360 -2.231 1.00 0.00 C ATOM 0 H VAL A 27 1.748 -9.240 -4.074 1.00 0.00 H new ATOM 0 HA VAL A 27 2.226 -10.547 -1.451 1.00 0.00 H new ATOM 0 HB VAL A 27 0.840 -8.599 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.889 -7.317 -0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.140 -9.070 0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.757 -8.217 -1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.245 -6.432 -1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.020 -7.282 -3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.292 -7.537 -2.678 1.00 0.00 H new ATOM 428 N SER A 28 -0.348 -10.847 -1.209 1.00 0.00 N ATOM 429 CA SER A 28 -1.673 -11.438 -1.281 1.00 0.00 C ATOM 430 C SER A 28 -2.733 -10.338 -1.375 1.00 0.00 C ATOM 431 O SER A 28 -2.667 -9.345 -0.653 1.00 0.00 O ATOM 432 CB SER A 28 -1.944 -12.333 -0.070 1.00 0.00 C ATOM 433 OG SER A 28 -2.298 -13.658 -0.454 1.00 0.00 O ATOM 0 H SER A 28 0.036 -10.773 -0.267 1.00 0.00 H new ATOM 0 HA SER A 28 -1.722 -12.058 -2.176 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.058 -12.364 0.564 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.748 -11.902 0.527 1.00 0.00 H new ATOM 0 HG SER A 28 -2.461 -14.198 0.347 1.00 0.00 H new ATOM 439 N PRO A 29 -3.709 -10.558 -2.296 1.00 0.00 N ATOM 440 CA PRO A 29 -4.781 -9.598 -2.494 1.00 0.00 C ATOM 441 C PRO A 29 -5.796 -9.664 -1.351 1.00 0.00 C ATOM 442 O PRO A 29 -6.522 -8.703 -1.104 1.00 0.00 O ATOM 443 CB PRO A 29 -5.383 -9.953 -3.844 1.00 0.00 C ATOM 444 CG PRO A 29 -4.938 -11.376 -4.137 1.00 0.00 C ATOM 445 CD PRO A 29 -3.819 -11.723 -3.169 1.00 0.00 C ATOM 0 HA PRO A 29 -4.428 -8.567 -2.489 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.470 -9.881 -3.818 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -5.037 -9.268 -4.618 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.772 -12.068 -4.021 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -4.592 -11.463 -5.167 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.052 -12.623 -2.600 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.884 -11.912 -3.696 1.00 0.00 H new ATOM 453 N HIS A 30 -5.813 -10.809 -0.683 1.00 0.00 N ATOM 454 CA HIS A 30 -6.726 -11.013 0.428 1.00 0.00 C ATOM 455 C HIS A 30 -6.344 -10.087 1.584 1.00 0.00 C ATOM 456 O HIS A 30 -7.134 -9.235 1.989 1.00 0.00 O ATOM 457 CB HIS A 30 -6.763 -12.487 0.837 1.00 0.00 C ATOM 458 CG HIS A 30 -7.501 -13.376 -0.135 1.00 0.00 C ATOM 459 ND1 HIS A 30 -8.879 -13.369 -0.260 1.00 0.00 N ATOM 460 CD2 HIS A 30 -7.038 -14.299 -1.027 1.00 0.00 C ATOM 461 CE1 HIS A 30 -9.220 -14.251 -1.187 1.00 0.00 C ATOM 462 NE2 HIS A 30 -8.078 -14.827 -1.661 1.00 0.00 N ATOM 0 H HIS A 30 -5.209 -11.604 -0.890 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.740 -10.755 0.122 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.741 -12.850 0.941 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.232 -12.570 1.817 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.002 -14.556 -1.190 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -10.226 -14.475 -1.511 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -8.031 -15.545 -2.384 1.00 0.00 H new ATOM 470 N ALA A 31 -5.132 -10.284 2.083 1.00 0.00 N ATOM 471 CA ALA A 31 -4.636 -9.477 3.184 1.00 0.00 C ATOM 472 C ALA A 31 -5.009 -8.012 2.946 1.00 0.00 C ATOM 473 O ALA A 31 -5.027 -7.550 1.806 1.00 0.00 O ATOM 474 CB ALA A 31 -3.125 -9.678 3.324 1.00 0.00 C ATOM 0 H ALA A 31 -4.479 -10.991 1.745 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.095 -9.786 4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.752 -9.072 4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.914 -10.729 3.521 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.631 -9.376 2.401 1.00 0.00 H new ATOM 480 N SER A 32 -5.297 -7.323 4.040 1.00 0.00 N ATOM 481 CA SER A 32 -5.669 -5.920 3.964 1.00 0.00 C ATOM 482 C SER A 32 -4.413 -5.051 3.867 1.00 0.00 C ATOM 483 O SER A 32 -3.368 -5.401 4.412 1.00 0.00 O ATOM 484 CB SER A 32 -6.508 -5.507 5.174 1.00 0.00 C ATOM 485 OG SER A 32 -5.967 -6.004 6.395 1.00 0.00 O ATOM 0 H SER A 32 -5.280 -7.710 4.984 1.00 0.00 H new ATOM 0 HA SER A 32 -6.274 -5.774 3.069 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.567 -4.420 5.220 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.526 -5.876 5.052 1.00 0.00 H new ATOM 0 HG SER A 32 -6.531 -5.717 7.143 1.00 0.00 H new ATOM 491 N LEU A 33 -4.558 -3.934 3.170 1.00 0.00 N ATOM 492 CA LEU A 33 -3.449 -3.011 2.995 1.00 0.00 C ATOM 493 C LEU A 33 -2.787 -2.754 4.350 1.00 0.00 C ATOM 494 O LEU A 33 -1.582 -2.517 4.421 1.00 0.00 O ATOM 495 CB LEU A 33 -3.918 -1.738 2.287 1.00 0.00 C ATOM 496 CG LEU A 33 -4.176 -1.863 0.784 1.00 0.00 C ATOM 497 CD1 LEU A 33 -4.980 -0.669 0.265 1.00 0.00 C ATOM 498 CD2 LEU A 33 -2.866 -2.049 0.016 1.00 0.00 C ATOM 0 H LEU A 33 -5.427 -3.647 2.719 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.689 -3.446 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.836 -1.397 2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.169 -0.962 2.444 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.778 -2.756 0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.150 -0.782 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.939 -0.624 0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.425 0.251 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.078 -2.135 -1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.218 -1.190 0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.367 -2.955 0.361 1.00 0.00 H new ATOM 510 N GLN A 34 -3.604 -2.808 5.391 1.00 0.00 N ATOM 511 CA GLN A 34 -3.112 -2.583 6.740 1.00 0.00 C ATOM 512 C GLN A 34 -1.975 -3.556 7.060 1.00 0.00 C ATOM 513 O GLN A 34 -1.041 -3.209 7.780 1.00 0.00 O ATOM 514 CB GLN A 34 -4.243 -2.707 7.763 1.00 0.00 C ATOM 515 CG GLN A 34 -3.689 -2.995 9.160 1.00 0.00 C ATOM 516 CD GLN A 34 -4.773 -2.822 10.226 1.00 0.00 C ATOM 517 OE1 GLN A 34 -5.288 -1.740 10.455 1.00 0.00 O ATOM 518 NE2 GLN A 34 -5.090 -3.946 10.863 1.00 0.00 N ATOM 0 H GLN A 34 -4.603 -3.004 5.328 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.722 -1.567 6.799 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.824 -1.785 7.781 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.922 -3.506 7.465 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.296 -4.011 9.197 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.856 -2.324 9.371 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.620 -4.819 10.622 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.803 -3.935 11.592 1.00 0.00 H new ATOM 527 N GLU A 35 -2.092 -4.755 6.508 1.00 0.00 N ATOM 528 CA GLU A 35 -1.086 -5.780 6.725 1.00 0.00 C ATOM 529 C GLU A 35 -0.022 -5.721 5.626 1.00 0.00 C ATOM 530 O GLU A 35 1.099 -6.189 5.817 1.00 0.00 O ATOM 531 CB GLU A 35 -1.724 -7.169 6.796 1.00 0.00 C ATOM 532 CG GLU A 35 -1.960 -7.590 8.248 1.00 0.00 C ATOM 533 CD GLU A 35 -0.642 -7.959 8.933 1.00 0.00 C ATOM 534 OE1 GLU A 35 0.041 -8.860 8.401 1.00 0.00 O ATOM 535 OE2 GLU A 35 -0.348 -7.331 9.973 1.00 0.00 O ATOM 0 H GLU A 35 -2.869 -5.039 5.911 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.602 -5.589 7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.671 -7.166 6.256 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.078 -7.896 6.303 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.442 -6.778 8.792 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.640 -8.441 8.278 1.00 0.00 H new ATOM 542 N LEU A 36 -0.412 -5.142 4.500 1.00 0.00 N ATOM 543 CA LEU A 36 0.493 -5.016 3.371 1.00 0.00 C ATOM 544 C LEU A 36 1.149 -3.634 3.401 1.00 0.00 C ATOM 545 O LEU A 36 1.808 -3.235 2.442 1.00 0.00 O ATOM 546 CB LEU A 36 -0.237 -5.322 2.062 1.00 0.00 C ATOM 547 CG LEU A 36 -0.829 -6.727 1.937 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.663 -6.860 0.661 1.00 0.00 C ATOM 549 CD2 LEU A 36 0.265 -7.793 2.019 1.00 0.00 C ATOM 0 H LEU A 36 -1.343 -4.755 4.346 1.00 0.00 H new ATOM 0 HA LEU A 36 1.294 -5.752 3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.042 -4.598 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.458 -5.167 1.237 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.501 -6.889 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.072 -7.868 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.479 -6.138 0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.033 -6.668 -0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.183 -8.782 1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.981 -7.643 1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.778 -7.715 2.977 1.00 0.00 H new ATOM 561 N ALA A 37 0.946 -2.942 4.512 1.00 0.00 N ATOM 562 CA ALA A 37 1.510 -1.613 4.679 1.00 0.00 C ATOM 563 C ALA A 37 3.022 -1.726 4.881 1.00 0.00 C ATOM 564 O ALA A 37 3.794 -1.039 4.215 1.00 0.00 O ATOM 565 CB ALA A 37 0.817 -0.908 5.847 1.00 0.00 C ATOM 0 H ALA A 37 0.399 -3.276 5.305 1.00 0.00 H new ATOM 0 HA ALA A 37 1.341 -1.010 3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.240 0.089 5.973 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.250 -0.826 5.641 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.967 -1.484 6.760 1.00 0.00 H new ATOM 571 N PRO A 38 3.410 -2.623 5.827 1.00 0.00 N ATOM 572 CA PRO A 38 4.816 -2.835 6.126 1.00 0.00 C ATOM 573 C PRO A 38 5.492 -3.654 5.024 1.00 0.00 C ATOM 574 O PRO A 38 6.608 -3.342 4.610 1.00 0.00 O ATOM 575 CB PRO A 38 4.831 -3.532 7.477 1.00 0.00 C ATOM 576 CG PRO A 38 3.434 -4.098 7.669 1.00 0.00 C ATOM 577 CD PRO A 38 2.523 -3.455 6.636 1.00 0.00 C ATOM 0 HA PRO A 38 5.382 -1.905 6.167 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.580 -4.324 7.500 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.082 -2.833 8.275 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.442 -5.181 7.549 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.074 -3.891 8.677 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.021 -4.207 6.027 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.744 -2.858 7.111 1.00 0.00 H new ATOM 585 N ILE A 39 4.788 -4.685 4.580 1.00 0.00 N ATOM 586 CA ILE A 39 5.307 -5.550 3.534 1.00 0.00 C ATOM 587 C ILE A 39 5.630 -4.710 2.297 1.00 0.00 C ATOM 588 O ILE A 39 6.516 -5.060 1.519 1.00 0.00 O ATOM 589 CB ILE A 39 4.336 -6.701 3.261 1.00 0.00 C ATOM 590 CG1 ILE A 39 4.348 -7.713 4.408 1.00 0.00 C ATOM 591 CG2 ILE A 39 4.633 -7.359 1.912 1.00 0.00 C ATOM 592 CD1 ILE A 39 2.934 -7.961 4.935 1.00 0.00 C ATOM 0 H ILE A 39 3.863 -4.941 4.925 1.00 0.00 H new ATOM 0 HA ILE A 39 6.238 -6.018 3.853 1.00 0.00 H new ATOM 0 HB ILE A 39 3.327 -6.292 3.205 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.782 -8.652 4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.982 -7.346 5.215 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.929 -8.174 1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.532 -6.620 1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.650 -7.752 1.915 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.971 -8.684 5.750 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.512 -7.024 5.300 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.309 -8.351 4.131 1.00 0.00 H new ATOM 604 N ILE A 40 4.893 -3.619 2.153 1.00 0.00 N ATOM 605 CA ILE A 40 5.089 -2.726 1.023 1.00 0.00 C ATOM 606 C ILE A 40 6.146 -1.680 1.383 1.00 0.00 C ATOM 607 O ILE A 40 7.140 -1.526 0.675 1.00 0.00 O ATOM 608 CB ILE A 40 3.755 -2.125 0.577 1.00 0.00 C ATOM 609 CG1 ILE A 40 2.923 -3.150 -0.197 1.00 0.00 C ATOM 610 CG2 ILE A 40 3.974 -0.841 -0.226 1.00 0.00 C ATOM 611 CD1 ILE A 40 1.486 -2.660 -0.384 1.00 0.00 C ATOM 0 H ILE A 40 4.159 -3.333 2.800 1.00 0.00 H new ATOM 0 HA ILE A 40 5.466 -3.278 0.162 1.00 0.00 H new ATOM 0 HB ILE A 40 3.187 -1.856 1.467 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.378 -3.333 -1.170 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.921 -4.100 0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.010 -0.434 -0.531 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.497 -0.111 0.391 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.571 -1.063 -1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.916 -3.407 -0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.026 -2.501 0.591 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.491 -1.722 -0.940 1.00 0.00 H new ATOM 623 N CYS A 41 5.895 -0.987 2.484 1.00 0.00 N ATOM 624 CA CYS A 41 6.812 0.041 2.947 1.00 0.00 C ATOM 625 C CYS A 41 8.209 -0.574 3.052 1.00 0.00 C ATOM 626 O CYS A 41 9.180 -0.008 2.553 1.00 0.00 O ATOM 627 CB CYS A 41 6.356 0.651 4.274 1.00 0.00 C ATOM 628 SG CYS A 41 5.554 2.269 3.975 1.00 0.00 S ATOM 0 H CYS A 41 5.070 -1.117 3.069 1.00 0.00 H new ATOM 0 HA CYS A 41 6.830 0.864 2.232 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.660 -0.023 4.773 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.211 0.777 4.939 1.00 0.00 H new ATOM 0 HG CYS A 41 5.064 2.295 2.771 1.00 0.00 H new ATOM 634 N SER A 42 8.266 -1.725 3.706 1.00 0.00 N ATOM 635 CA SER A 42 9.528 -2.423 3.884 1.00 0.00 C ATOM 636 C SER A 42 10.176 -2.686 2.523 1.00 0.00 C ATOM 637 O SER A 42 11.389 -2.547 2.372 1.00 0.00 O ATOM 638 CB SER A 42 9.329 -3.738 4.640 1.00 0.00 C ATOM 639 OG SER A 42 10.569 -4.354 4.977 1.00 0.00 O ATOM 0 H SER A 42 7.459 -2.192 4.119 1.00 0.00 H new ATOM 0 HA SER A 42 10.188 -1.791 4.478 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.759 -3.550 5.550 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.739 -4.421 4.029 1.00 0.00 H new ATOM 0 HG SER A 42 10.399 -5.190 5.460 1.00 0.00 H new ATOM 645 N LYS A 43 9.339 -3.062 1.567 1.00 0.00 N ATOM 646 CA LYS A 43 9.816 -3.346 0.224 1.00 0.00 C ATOM 647 C LYS A 43 10.506 -2.103 -0.341 1.00 0.00 C ATOM 648 O LYS A 43 11.545 -2.206 -0.991 1.00 0.00 O ATOM 649 CB LYS A 43 8.674 -3.867 -0.651 1.00 0.00 C ATOM 650 CG LYS A 43 8.452 -5.364 -0.429 1.00 0.00 C ATOM 651 CD LYS A 43 9.235 -6.192 -1.450 1.00 0.00 C ATOM 652 CE LYS A 43 8.714 -7.629 -1.506 1.00 0.00 C ATOM 653 NZ LYS A 43 9.712 -8.518 -2.142 1.00 0.00 N ATOM 0 H LYS A 43 8.334 -3.177 1.696 1.00 0.00 H new ATOM 0 HA LYS A 43 10.560 -4.142 0.244 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.758 -3.322 -0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.902 -3.681 -1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.763 -5.636 0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.389 -5.593 -0.508 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.153 -5.733 -2.435 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.293 -6.195 -1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.494 -7.982 -0.498 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.780 -7.662 -2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.342 -9.490 -2.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.902 -8.190 -3.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.594 -8.500 -1.591 1.00 0.00 H new ATOM 667 N CYS A 44 9.900 -0.955 -0.073 1.00 0.00 N ATOM 668 CA CYS A 44 10.443 0.306 -0.546 1.00 0.00 C ATOM 669 C CYS A 44 11.231 0.949 0.596 1.00 0.00 C ATOM 670 O CYS A 44 11.516 2.145 0.563 1.00 0.00 O ATOM 671 CB CYS A 44 9.345 1.232 -1.074 1.00 0.00 C ATOM 672 SG CYS A 44 9.410 1.303 -2.901 1.00 0.00 S ATOM 0 H CYS A 44 9.038 -0.873 0.466 1.00 0.00 H new ATOM 0 HA CYS A 44 11.110 0.124 -1.388 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.368 0.872 -0.751 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.470 2.232 -0.658 1.00 0.00 H new ATOM 0 HG CYS A 44 9.346 2.542 -3.290 1.00 0.00 H new ATOM 678 N GLU A 45 11.562 0.127 1.581 1.00 0.00 N ATOM 679 CA GLU A 45 12.312 0.600 2.732 1.00 0.00 C ATOM 680 C GLU A 45 11.764 1.948 3.204 1.00 0.00 C ATOM 681 O GLU A 45 12.529 2.868 3.489 1.00 0.00 O ATOM 682 CB GLU A 45 13.805 0.697 2.411 1.00 0.00 C ATOM 683 CG GLU A 45 14.440 -0.693 2.335 1.00 0.00 C ATOM 684 CD GLU A 45 15.561 -0.840 3.366 1.00 0.00 C ATOM 685 OE1 GLU A 45 15.272 -0.598 4.557 1.00 0.00 O ATOM 686 OE2 GLU A 45 16.682 -1.192 2.939 1.00 0.00 O ATOM 0 H GLU A 45 11.324 -0.865 1.606 1.00 0.00 H new ATOM 0 HA GLU A 45 12.194 -0.122 3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.944 1.217 1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.308 1.289 3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.679 -1.454 2.508 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.837 -0.861 1.334 1.00 0.00 H new ATOM 693 N PHE A 46 10.443 2.023 3.273 1.00 0.00 N ATOM 694 CA PHE A 46 9.784 3.243 3.706 1.00 0.00 C ATOM 695 C PHE A 46 9.440 3.181 5.196 1.00 0.00 C ATOM 696 O PHE A 46 9.791 2.220 5.878 1.00 0.00 O ATOM 697 CB PHE A 46 8.489 3.362 2.900 1.00 0.00 C ATOM 698 CG PHE A 46 8.580 4.324 1.714 1.00 0.00 C ATOM 699 CD1 PHE A 46 9.773 4.527 1.093 1.00 0.00 C ATOM 700 CD2 PHE A 46 7.469 4.977 1.281 1.00 0.00 C ATOM 701 CE1 PHE A 46 9.858 5.419 -0.008 1.00 0.00 C ATOM 702 CE2 PHE A 46 7.554 5.870 0.180 1.00 0.00 C ATOM 703 CZ PHE A 46 8.747 6.073 -0.441 1.00 0.00 C ATOM 0 H PHE A 46 9.811 1.258 3.036 1.00 0.00 H new ATOM 0 HA PHE A 46 10.442 4.098 3.548 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.210 2.374 2.533 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.690 3.693 3.563 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.656 4.009 1.438 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.522 4.817 1.774 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.805 5.578 -0.502 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.671 6.388 -0.164 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.812 6.753 -1.277 1.00 0.00 H new ATOM 713 N ASP A 47 8.756 4.218 5.656 1.00 0.00 N ATOM 714 CA ASP A 47 8.360 4.294 7.052 1.00 0.00 C ATOM 715 C ASP A 47 6.835 4.228 7.150 1.00 0.00 C ATOM 716 O ASP A 47 6.143 5.164 6.752 1.00 0.00 O ATOM 717 CB ASP A 47 8.818 5.610 7.683 1.00 0.00 C ATOM 718 CG ASP A 47 10.168 5.549 8.400 1.00 0.00 C ATOM 719 OD1 ASP A 47 11.004 4.728 7.965 1.00 0.00 O ATOM 720 OD2 ASP A 47 10.334 6.325 9.366 1.00 0.00 O ATOM 0 H ASP A 47 8.466 5.013 5.087 1.00 0.00 H new ATOM 0 HA ASP A 47 8.823 3.460 7.580 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.872 6.370 6.903 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.060 5.937 8.395 1.00 0.00 H new ATOM 725 N PRO A 48 6.343 3.083 7.695 1.00 0.00 N ATOM 726 CA PRO A 48 4.912 2.883 7.850 1.00 0.00 C ATOM 727 C PRO A 48 4.365 3.713 9.013 1.00 0.00 C ATOM 728 O PRO A 48 3.167 3.685 9.291 1.00 0.00 O ATOM 729 CB PRO A 48 4.745 1.386 8.058 1.00 0.00 C ATOM 730 CG PRO A 48 6.112 0.868 8.475 1.00 0.00 C ATOM 731 CD PRO A 48 7.133 1.954 8.177 1.00 0.00 C ATOM 0 HA PRO A 48 4.344 3.217 6.982 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.998 1.179 8.825 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.406 0.900 7.143 1.00 0.00 H new ATOM 0 HG2 PRO A 48 6.118 0.619 9.536 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.356 -0.045 7.932 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.700 2.220 9.069 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.853 1.626 7.427 1.00 0.00 H new ATOM 739 N LEU A 49 5.269 4.432 9.661 1.00 0.00 N ATOM 740 CA LEU A 49 4.892 5.269 10.788 1.00 0.00 C ATOM 741 C LEU A 49 4.019 6.424 10.291 1.00 0.00 C ATOM 742 O LEU A 49 3.011 6.757 10.912 1.00 0.00 O ATOM 743 CB LEU A 49 6.134 5.724 11.557 1.00 0.00 C ATOM 744 CG LEU A 49 6.521 4.873 12.768 1.00 0.00 C ATOM 745 CD1 LEU A 49 7.976 5.121 13.170 1.00 0.00 C ATOM 746 CD2 LEU A 49 5.557 5.107 13.933 1.00 0.00 C ATOM 0 H LEU A 49 6.262 4.453 9.428 1.00 0.00 H new ATOM 0 HA LEU A 49 4.294 4.701 11.501 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.978 5.744 10.867 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.974 6.748 11.894 1.00 0.00 H new ATOM 0 HG LEU A 49 6.439 3.823 12.488 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.225 4.504 14.033 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.632 4.864 12.338 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.109 6.172 13.425 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.855 4.490 14.781 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.583 6.158 14.222 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.545 4.840 13.627 1.00 0.00 H new ATOM 758 N HIS A 50 4.439 7.002 9.175 1.00 0.00 N ATOM 759 CA HIS A 50 3.709 8.112 8.587 1.00 0.00 C ATOM 760 C HIS A 50 3.559 7.888 7.081 1.00 0.00 C ATOM 761 O HIS A 50 4.013 8.705 6.281 1.00 0.00 O ATOM 762 CB HIS A 50 4.381 9.445 8.925 1.00 0.00 C ATOM 763 CG HIS A 50 5.885 9.363 9.035 1.00 0.00 C ATOM 764 ND1 HIS A 50 6.786 8.578 8.377 1.00 0.00 N flip ATOM 765 CD2 HIS A 50 6.617 10.150 9.907 1.00 0.00 C flip ATOM 766 CE1 HIS A 50 8.002 8.872 8.821 1.00 0.00 C flip ATOM 767 NE2 HIS A 50 7.899 9.846 9.770 1.00 0.00 N flip ATOM 0 H HIS A 50 5.275 6.722 8.663 1.00 0.00 H new ATOM 0 HA HIS A 50 2.707 8.159 9.013 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.122 10.176 8.159 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.977 9.815 9.867 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.212 10.887 10.584 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.921 8.415 8.486 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.673 10.267 10.284 1.00 0.00 H new ATOM 775 N THR A 51 2.921 6.778 6.741 1.00 0.00 N ATOM 776 CA THR A 51 2.706 6.437 5.345 1.00 0.00 C ATOM 777 C THR A 51 1.210 6.299 5.055 1.00 0.00 C ATOM 778 O THR A 51 0.478 5.678 5.824 1.00 0.00 O ATOM 779 CB THR A 51 3.503 5.167 5.041 1.00 0.00 C ATOM 780 OG1 THR A 51 4.829 5.636 4.812 1.00 0.00 O ATOM 781 CG2 THR A 51 3.099 4.527 3.711 1.00 0.00 C ATOM 0 H THR A 51 2.546 6.103 7.408 1.00 0.00 H new ATOM 0 HA THR A 51 3.062 7.228 4.685 1.00 0.00 H new ATOM 0 HB THR A 51 3.362 4.448 5.848 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.462 5.090 5.323 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.694 3.630 3.543 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.042 4.261 3.741 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.272 5.234 2.900 1.00 0.00 H new ATOM 789 N LEU A 52 0.799 6.890 3.942 1.00 0.00 N ATOM 790 CA LEU A 52 -0.596 6.841 3.539 1.00 0.00 C ATOM 791 C LEU A 52 -0.730 5.985 2.279 1.00 0.00 C ATOM 792 O LEU A 52 0.266 5.676 1.625 1.00 0.00 O ATOM 793 CB LEU A 52 -1.158 8.255 3.384 1.00 0.00 C ATOM 794 CG LEU A 52 -2.058 8.748 4.520 1.00 0.00 C ATOM 795 CD1 LEU A 52 -2.563 10.165 4.243 1.00 0.00 C ATOM 796 CD2 LEU A 52 -3.206 7.769 4.774 1.00 0.00 C ATOM 0 H LEU A 52 1.408 7.405 3.307 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.199 6.365 4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.322 8.948 3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.724 8.300 2.453 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.464 8.791 5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.200 10.491 5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.714 10.842 4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.135 10.172 3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.830 8.143 5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.807 7.670 3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.800 6.795 5.048 1.00 0.00 H new ATOM 808 N LEU A 53 -1.968 5.625 1.975 1.00 0.00 N ATOM 809 CA LEU A 53 -2.244 4.810 0.804 1.00 0.00 C ATOM 810 C LEU A 53 -3.288 5.513 -0.066 1.00 0.00 C ATOM 811 O LEU A 53 -4.485 5.426 0.201 1.00 0.00 O ATOM 812 CB LEU A 53 -2.644 3.393 1.220 1.00 0.00 C ATOM 813 CG LEU A 53 -1.567 2.574 1.934 1.00 0.00 C ATOM 814 CD1 LEU A 53 -2.069 1.164 2.249 1.00 0.00 C ATOM 815 CD2 LEU A 53 -0.268 2.554 1.126 1.00 0.00 C ATOM 0 H LEU A 53 -2.791 5.883 2.519 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.346 4.698 0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.514 3.459 1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.955 2.848 0.329 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.346 3.056 2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.284 0.603 2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.946 1.225 2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.336 0.657 1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.481 1.965 1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.454 2.109 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.096 3.573 0.997 1.00 0.00 H new ATOM 827 N LEU A 54 -2.796 6.194 -1.091 1.00 0.00 N ATOM 828 CA LEU A 54 -3.671 6.912 -2.002 1.00 0.00 C ATOM 829 C LEU A 54 -4.065 5.989 -3.157 1.00 0.00 C ATOM 830 O LEU A 54 -3.445 4.946 -3.362 1.00 0.00 O ATOM 831 CB LEU A 54 -3.017 8.219 -2.455 1.00 0.00 C ATOM 832 CG LEU A 54 -2.642 9.201 -1.343 1.00 0.00 C ATOM 833 CD1 LEU A 54 -3.873 9.603 -0.528 1.00 0.00 C ATOM 834 CD2 LEU A 54 -1.531 8.631 -0.460 1.00 0.00 C ATOM 0 H LEU A 54 -1.802 6.264 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.592 7.202 -1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.115 7.975 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.696 8.722 -3.144 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.252 10.108 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.579 10.301 0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.603 10.079 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.315 8.716 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.284 9.349 0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.870 7.700 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.647 8.437 -1.067 1.00 0.00 H new ATOM 846 N LYS A 55 -5.093 6.405 -3.881 1.00 0.00 N ATOM 847 CA LYS A 55 -5.577 5.629 -5.010 1.00 0.00 C ATOM 848 C LYS A 55 -4.411 5.330 -5.955 1.00 0.00 C ATOM 849 O LYS A 55 -4.134 4.170 -6.257 1.00 0.00 O ATOM 850 CB LYS A 55 -6.749 6.341 -5.687 1.00 0.00 C ATOM 851 CG LYS A 55 -7.859 6.650 -4.680 1.00 0.00 C ATOM 852 CD LYS A 55 -8.982 5.615 -4.766 1.00 0.00 C ATOM 853 CE LYS A 55 -9.944 5.944 -5.909 1.00 0.00 C ATOM 854 NZ LYS A 55 -11.144 6.640 -5.392 1.00 0.00 N ATOM 0 H LYS A 55 -5.605 7.270 -3.708 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.969 4.670 -4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.401 7.267 -6.145 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.144 5.717 -6.489 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.447 6.661 -3.671 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.261 7.645 -4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.556 4.623 -4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.528 5.586 -3.823 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.442 6.571 -6.646 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.239 5.027 -6.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.787 6.856 -6.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.631 6.029 -4.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.858 7.525 -4.926 1.00 0.00 H new ATOM 868 N ASP A 56 -3.759 6.396 -6.395 1.00 0.00 N ATOM 869 CA ASP A 56 -2.629 6.263 -7.299 1.00 0.00 C ATOM 870 C ASP A 56 -1.849 7.578 -7.332 1.00 0.00 C ATOM 871 O ASP A 56 -2.177 8.516 -6.606 1.00 0.00 O ATOM 872 CB ASP A 56 -3.097 5.955 -8.723 1.00 0.00 C ATOM 873 CG ASP A 56 -3.731 4.575 -8.911 1.00 0.00 C ATOM 874 OD1 ASP A 56 -4.906 4.431 -8.510 1.00 0.00 O ATOM 875 OD2 ASP A 56 -3.026 3.696 -9.452 1.00 0.00 O ATOM 0 H ASP A 56 -3.992 7.356 -6.142 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.004 5.446 -6.939 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.819 6.714 -9.024 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.244 6.041 -9.396 1.00 0.00 H new ATOM 880 N TYR A 57 -0.833 7.606 -8.181 1.00 0.00 N ATOM 881 CA TYR A 57 -0.004 8.791 -8.318 1.00 0.00 C ATOM 882 C TYR A 57 -0.847 10.010 -8.697 1.00 0.00 C ATOM 883 O TYR A 57 -0.681 11.086 -8.127 1.00 0.00 O ATOM 884 CB TYR A 57 0.977 8.491 -9.454 1.00 0.00 C ATOM 885 CG TYR A 57 1.592 9.739 -10.091 1.00 0.00 C ATOM 886 CD1 TYR A 57 2.695 10.335 -9.515 1.00 0.00 C ATOM 887 CD2 TYR A 57 1.043 10.268 -11.242 1.00 0.00 C ATOM 888 CE1 TYR A 57 3.273 11.510 -10.115 1.00 0.00 C ATOM 889 CE2 TYR A 57 1.622 11.442 -11.841 1.00 0.00 C ATOM 890 CZ TYR A 57 2.708 12.005 -11.248 1.00 0.00 C ATOM 891 OH TYR A 57 3.255 13.114 -11.815 1.00 0.00 O ATOM 0 H TYR A 57 -0.565 6.826 -8.782 1.00 0.00 H new ATOM 0 HA TYR A 57 0.500 9.016 -7.378 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.778 7.859 -9.071 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.460 7.919 -10.225 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.125 9.921 -8.615 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.180 9.801 -11.693 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.136 11.987 -9.675 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.203 11.866 -12.742 1.00 0.00 H new ATOM 0 HH TYR A 57 2.749 13.354 -12.619 1.00 0.00 H new ATOM 901 N GLN A 58 -1.735 9.799 -9.658 1.00 0.00 N ATOM 902 CA GLN A 58 -2.605 10.867 -10.121 1.00 0.00 C ATOM 903 C GLN A 58 -3.540 11.314 -8.996 1.00 0.00 C ATOM 904 O GLN A 58 -3.417 12.427 -8.486 1.00 0.00 O ATOM 905 CB GLN A 58 -3.399 10.432 -11.354 1.00 0.00 C ATOM 906 CG GLN A 58 -3.769 11.637 -12.221 1.00 0.00 C ATOM 907 CD GLN A 58 -5.283 11.721 -12.426 1.00 0.00 C ATOM 908 OE1 GLN A 58 -5.891 10.904 -13.099 1.00 0.00 O ATOM 909 NE2 GLN A 58 -5.856 12.751 -11.810 1.00 0.00 N ATOM 0 H GLN A 58 -1.871 8.904 -10.129 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.985 11.715 -10.410 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.811 9.725 -11.939 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.305 9.912 -11.043 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.411 12.552 -11.750 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.271 11.561 -13.188 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.288 13.398 -11.262 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.863 12.894 -11.885 1.00 0.00 H new ATOM 918 N SER A 59 -4.455 10.424 -8.641 1.00 0.00 N ATOM 919 CA SER A 59 -5.411 10.713 -7.586 1.00 0.00 C ATOM 920 C SER A 59 -4.673 11.043 -6.287 1.00 0.00 C ATOM 921 O SER A 59 -3.467 10.824 -6.181 1.00 0.00 O ATOM 922 CB SER A 59 -6.365 9.536 -7.369 1.00 0.00 C ATOM 923 OG SER A 59 -7.644 9.772 -7.950 1.00 0.00 O ATOM 0 H SER A 59 -4.554 9.502 -9.066 1.00 0.00 H new ATOM 0 HA SER A 59 -6.004 11.576 -7.889 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.932 8.634 -7.801 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.480 9.355 -6.300 1.00 0.00 H new ATOM 0 HG SER A 59 -8.223 8.998 -7.792 1.00 0.00 H new ATOM 929 N GLN A 60 -5.427 11.565 -5.331 1.00 0.00 N ATOM 930 CA GLN A 60 -4.859 11.928 -4.044 1.00 0.00 C ATOM 931 C GLN A 60 -5.800 11.509 -2.912 1.00 0.00 C ATOM 932 O GLN A 60 -5.664 11.977 -1.782 1.00 0.00 O ATOM 933 CB GLN A 60 -4.559 13.427 -3.980 1.00 0.00 C ATOM 934 CG GLN A 60 -3.423 13.799 -4.935 1.00 0.00 C ATOM 935 CD GLN A 60 -3.118 15.297 -4.867 1.00 0.00 C ATOM 936 OE1 GLN A 60 -3.870 16.086 -4.319 1.00 0.00 O ATOM 937 NE2 GLN A 60 -1.975 15.644 -5.452 1.00 0.00 N ATOM 0 H GLN A 60 -6.427 11.745 -5.422 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.915 11.396 -3.922 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.455 13.992 -4.237 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.288 13.704 -2.961 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.529 13.230 -4.681 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.696 13.526 -5.954 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.391 14.933 -5.893 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.682 16.621 -5.460 1.00 0.00 H new ATOM 946 N GLU A 61 -6.732 10.632 -3.254 1.00 0.00 N ATOM 947 CA GLU A 61 -7.694 10.144 -2.281 1.00 0.00 C ATOM 948 C GLU A 61 -7.103 8.977 -1.488 1.00 0.00 C ATOM 949 O GLU A 61 -6.484 8.082 -2.063 1.00 0.00 O ATOM 950 CB GLU A 61 -9.004 9.739 -2.960 1.00 0.00 C ATOM 951 CG GLU A 61 -10.177 10.564 -2.426 1.00 0.00 C ATOM 952 CD GLU A 61 -10.223 11.943 -3.087 1.00 0.00 C ATOM 953 OE1 GLU A 61 -10.564 11.985 -4.289 1.00 0.00 O ATOM 954 OE2 GLU A 61 -9.915 12.924 -2.375 1.00 0.00 O ATOM 0 H GLU A 61 -6.841 10.247 -4.192 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.919 10.952 -1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.917 9.879 -4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.193 8.679 -2.790 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.112 10.036 -2.612 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.085 10.677 -1.346 1.00 0.00 H new ATOM 961 N PRO A 62 -7.319 9.024 -0.147 1.00 0.00 N ATOM 962 CA PRO A 62 -6.815 7.981 0.730 1.00 0.00 C ATOM 963 C PRO A 62 -7.652 6.707 0.605 1.00 0.00 C ATOM 964 O PRO A 62 -8.876 6.773 0.493 1.00 0.00 O ATOM 965 CB PRO A 62 -6.856 8.585 2.124 1.00 0.00 C ATOM 966 CG PRO A 62 -7.811 9.765 2.039 1.00 0.00 C ATOM 967 CD PRO A 62 -8.047 10.068 0.569 1.00 0.00 C ATOM 0 HA PRO A 62 -5.802 7.670 0.475 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.201 7.855 2.856 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.864 8.908 2.439 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.752 9.531 2.536 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.390 10.634 2.545 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.109 10.047 0.326 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.679 11.059 0.305 1.00 0.00 H new ATOM 975 N LEU A 63 -6.961 5.578 0.630 1.00 0.00 N ATOM 976 CA LEU A 63 -7.625 4.290 0.520 1.00 0.00 C ATOM 977 C LEU A 63 -7.965 3.776 1.921 1.00 0.00 C ATOM 978 O LEU A 63 -7.410 4.249 2.911 1.00 0.00 O ATOM 979 CB LEU A 63 -6.779 3.318 -0.303 1.00 0.00 C ATOM 980 CG LEU A 63 -6.212 3.866 -1.614 1.00 0.00 C ATOM 981 CD1 LEU A 63 -4.881 3.197 -1.959 1.00 0.00 C ATOM 982 CD2 LEU A 63 -7.231 3.734 -2.749 1.00 0.00 C ATOM 0 H LEU A 63 -5.947 5.528 0.725 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.566 4.392 -0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.948 2.978 0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.386 2.442 -0.531 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.012 4.929 -1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.501 3.605 -2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.162 3.386 -1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.031 2.123 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.803 4.131 -3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.485 2.683 -2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.131 4.294 -2.496 1.00 0.00 H new ATOM 994 N ASP A 64 -8.875 2.814 1.959 1.00 0.00 N ATOM 995 CA ASP A 64 -9.296 2.231 3.221 1.00 0.00 C ATOM 996 C ASP A 64 -8.509 0.942 3.470 1.00 0.00 C ATOM 997 O ASP A 64 -8.780 -0.084 2.848 1.00 0.00 O ATOM 998 CB ASP A 64 -10.784 1.879 3.197 1.00 0.00 C ATOM 999 CG ASP A 64 -11.678 2.790 4.040 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -11.542 4.023 3.882 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -12.478 2.234 4.823 1.00 0.00 O ATOM 0 H ASP A 64 -9.333 2.424 1.135 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.112 2.962 4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.132 1.908 2.164 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.905 0.853 3.545 1.00 0.00 H new ATOM 1006 N LEU A 65 -7.551 1.038 4.380 1.00 0.00 N ATOM 1007 CA LEU A 65 -6.723 -0.107 4.718 1.00 0.00 C ATOM 1008 C LEU A 65 -7.607 -1.348 4.852 1.00 0.00 C ATOM 1009 O LEU A 65 -7.353 -2.369 4.214 1.00 0.00 O ATOM 1010 CB LEU A 65 -5.883 0.187 5.963 1.00 0.00 C ATOM 1011 CG LEU A 65 -4.975 1.416 5.884 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -4.301 1.687 7.230 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.956 1.273 4.751 1.00 0.00 C ATOM 0 H LEU A 65 -7.330 1.891 4.894 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.008 -0.309 3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.557 0.311 6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.264 -0.685 6.173 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.593 2.283 5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.661 2.566 7.146 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.063 1.864 7.989 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.698 0.825 7.515 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.323 2.160 4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.338 0.393 4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.480 1.165 3.802 1.00 0.00 H new ATOM 1025 N THR A 66 -8.628 -1.221 5.687 1.00 0.00 N ATOM 1026 CA THR A 66 -9.552 -2.320 5.913 1.00 0.00 C ATOM 1027 C THR A 66 -9.869 -3.030 4.596 1.00 0.00 C ATOM 1028 O THR A 66 -9.966 -4.255 4.555 1.00 0.00 O ATOM 1029 CB THR A 66 -10.790 -1.759 6.615 1.00 0.00 C ATOM 1030 OG1 THR A 66 -11.266 -0.751 5.727 1.00 0.00 O ATOM 1031 CG2 THR A 66 -10.443 -0.995 7.895 1.00 0.00 C ATOM 0 H THR A 66 -8.836 -0.374 6.215 1.00 0.00 H new ATOM 0 HA THR A 66 -9.112 -3.081 6.557 1.00 0.00 H new ATOM 0 HB THR A 66 -11.472 -2.575 6.854 1.00 0.00 H new ATOM 0 HG1 THR A 66 -12.069 -0.336 6.104 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.357 -0.618 8.353 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.937 -1.663 8.592 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.787 -0.159 7.653 1.00 0.00 H new ATOM 1039 N LYS A 67 -10.021 -2.229 3.551 1.00 0.00 N ATOM 1040 CA LYS A 67 -10.325 -2.766 2.235 1.00 0.00 C ATOM 1041 C LYS A 67 -9.052 -3.352 1.622 1.00 0.00 C ATOM 1042 O LYS A 67 -7.977 -2.767 1.736 1.00 0.00 O ATOM 1043 CB LYS A 67 -10.994 -1.701 1.364 1.00 0.00 C ATOM 1044 CG LYS A 67 -12.250 -1.149 2.040 1.00 0.00 C ATOM 1045 CD LYS A 67 -13.515 -1.679 1.362 1.00 0.00 C ATOM 1046 CE LYS A 67 -14.287 -2.615 2.294 1.00 0.00 C ATOM 1047 NZ LYS A 67 -15.725 -2.265 2.307 1.00 0.00 N ATOM 0 H LYS A 67 -9.939 -1.213 3.589 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.046 -3.580 2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.293 -0.889 1.174 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.256 -2.129 0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.253 -1.429 3.093 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.240 -0.060 1.999 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.152 -0.844 1.070 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.247 -2.210 0.449 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.161 -3.647 1.968 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.881 -2.548 3.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.234 -2.910 2.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.841 -1.287 2.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.112 -2.352 1.346 1.00 0.00 H new ATOM 1061 N SER A 68 -9.217 -4.502 0.984 1.00 0.00 N ATOM 1062 CA SER A 68 -8.094 -5.174 0.352 1.00 0.00 C ATOM 1063 C SER A 68 -8.116 -4.924 -1.157 1.00 0.00 C ATOM 1064 O SER A 68 -9.066 -4.343 -1.679 1.00 0.00 O ATOM 1065 CB SER A 68 -8.118 -6.677 0.641 1.00 0.00 C ATOM 1066 OG SER A 68 -8.979 -7.378 -0.252 1.00 0.00 O ATOM 0 H SER A 68 -10.111 -4.985 0.891 1.00 0.00 H new ATOM 0 HA SER A 68 -7.173 -4.766 0.768 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.108 -7.078 0.560 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.446 -6.844 1.667 1.00 0.00 H new ATOM 0 HG SER A 68 -9.894 -7.364 0.098 1.00 0.00 H new ATOM 1072 N LEU A 69 -7.058 -5.374 -1.815 1.00 0.00 N ATOM 1073 CA LEU A 69 -6.943 -5.206 -3.253 1.00 0.00 C ATOM 1074 C LEU A 69 -8.202 -5.754 -3.928 1.00 0.00 C ATOM 1075 O LEU A 69 -8.601 -5.275 -4.988 1.00 0.00 O ATOM 1076 CB LEU A 69 -5.647 -5.837 -3.765 1.00 0.00 C ATOM 1077 CG LEU A 69 -4.357 -5.083 -3.435 1.00 0.00 C ATOM 1078 CD1 LEU A 69 -4.261 -3.784 -4.237 1.00 0.00 C ATOM 1079 CD2 LEU A 69 -4.236 -4.837 -1.929 1.00 0.00 C ATOM 0 H LEU A 69 -6.272 -5.855 -1.378 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.878 -4.148 -3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.570 -6.844 -3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.718 -5.938 -4.848 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.512 -5.706 -3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.335 -3.268 -3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.269 -4.013 -5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.110 -3.145 -3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.311 -4.300 -1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.084 -4.244 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.227 -5.792 -1.404 1.00 0.00 H new ATOM 1091 N ASN A 70 -8.793 -6.751 -3.286 1.00 0.00 N ATOM 1092 CA ASN A 70 -9.999 -7.369 -3.810 1.00 0.00 C ATOM 1093 C ASN A 70 -11.182 -6.421 -3.609 1.00 0.00 C ATOM 1094 O ASN A 70 -11.884 -6.087 -4.563 1.00 0.00 O ATOM 1095 CB ASN A 70 -10.311 -8.676 -3.079 1.00 0.00 C ATOM 1096 CG ASN A 70 -10.038 -9.885 -3.976 1.00 0.00 C ATOM 1097 OD1 ASN A 70 -10.502 -9.974 -5.100 1.00 0.00 O ATOM 1098 ND2 ASN A 70 -9.261 -10.809 -3.417 1.00 0.00 N ATOM 0 H ASN A 70 -8.459 -7.146 -2.407 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.838 -7.577 -4.868 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.705 -8.745 -2.175 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.355 -8.681 -2.764 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.021 -11.654 -3.935 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.905 -10.672 -2.471 1.00 0.00 H new ATOM 1105 N ASP A 71 -11.368 -6.013 -2.362 1.00 0.00 N ATOM 1106 CA ASP A 71 -12.454 -5.110 -2.024 1.00 0.00 C ATOM 1107 C ASP A 71 -12.305 -3.816 -2.827 1.00 0.00 C ATOM 1108 O ASP A 71 -13.258 -3.356 -3.454 1.00 0.00 O ATOM 1109 CB ASP A 71 -12.428 -4.749 -0.537 1.00 0.00 C ATOM 1110 CG ASP A 71 -12.317 -5.942 0.415 1.00 0.00 C ATOM 1111 OD1 ASP A 71 -11.168 -6.376 0.647 1.00 0.00 O ATOM 1112 OD2 ASP A 71 -13.382 -6.391 0.889 1.00 0.00 O ATOM 0 H ASP A 71 -10.784 -6.292 -1.573 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.394 -5.611 -2.257 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.588 -4.079 -0.356 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.335 -4.195 -0.297 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.100 -3.265 -2.782 1.00 0.00 N ATOM 1118 CA LEU A 72 -10.814 -2.033 -3.497 1.00 0.00 C ATOM 1119 C LEU A 72 -10.948 -2.279 -5.001 1.00 0.00 C ATOM 1120 O LEU A 72 -11.650 -1.543 -5.693 1.00 0.00 O ATOM 1121 CB LEU A 72 -9.449 -1.479 -3.084 1.00 0.00 C ATOM 1122 CG LEU A 72 -9.307 -1.071 -1.616 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -7.834 -0.979 -1.213 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -10.061 0.230 -1.333 1.00 0.00 C ATOM 0 H LEU A 72 -10.311 -3.649 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.538 -1.262 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.692 -2.231 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.228 -0.611 -3.705 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.762 -1.847 -1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.761 -0.687 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.357 -1.949 -1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.333 -0.235 -1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.944 0.497 -0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.658 1.027 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.119 0.093 -1.557 1.00 0.00 H new ATOM 1136 N GLY A 73 -10.264 -3.316 -5.462 1.00 0.00 N ATOM 1137 CA GLY A 73 -10.299 -3.668 -6.872 1.00 0.00 C ATOM 1138 C GLY A 73 -9.228 -2.904 -7.654 1.00 0.00 C ATOM 1139 O GLY A 73 -9.307 -2.794 -8.876 1.00 0.00 O ATOM 0 H GLY A 73 -9.683 -3.924 -4.885 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.143 -4.741 -6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.284 -3.444 -7.282 1.00 0.00 H new ATOM 1143 N LEU A 74 -8.252 -2.396 -6.916 1.00 0.00 N ATOM 1144 CA LEU A 74 -7.166 -1.646 -7.525 1.00 0.00 C ATOM 1145 C LEU A 74 -5.880 -2.472 -7.457 1.00 0.00 C ATOM 1146 O LEU A 74 -5.664 -3.213 -6.500 1.00 0.00 O ATOM 1147 CB LEU A 74 -7.044 -0.263 -6.882 1.00 0.00 C ATOM 1148 CG LEU A 74 -8.312 0.593 -6.886 1.00 0.00 C ATOM 1149 CD1 LEU A 74 -8.124 1.856 -6.043 1.00 0.00 C ATOM 1150 CD2 LEU A 74 -8.749 0.919 -8.316 1.00 0.00 C ATOM 0 H LEU A 74 -8.190 -2.489 -5.902 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.373 -1.465 -8.580 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.720 -0.392 -5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.257 0.287 -7.397 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.115 0.016 -6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.040 2.446 -6.063 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.895 1.576 -5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.303 2.446 -6.450 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.652 1.528 -8.290 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.955 1.468 -8.823 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.951 -0.007 -8.855 1.00 0.00 H new ATOM 1162 N ARG A 75 -5.060 -2.316 -8.486 1.00 0.00 N ATOM 1163 CA ARG A 75 -3.801 -3.038 -8.555 1.00 0.00 C ATOM 1164 C ARG A 75 -2.626 -2.074 -8.374 1.00 0.00 C ATOM 1165 O ARG A 75 -1.486 -2.505 -8.203 1.00 0.00 O ATOM 1166 CB ARG A 75 -3.655 -3.764 -9.893 1.00 0.00 C ATOM 1167 CG ARG A 75 -4.655 -4.916 -10.004 1.00 0.00 C ATOM 1168 CD ARG A 75 -4.400 -5.969 -8.923 1.00 0.00 C ATOM 1169 NE ARG A 75 -4.663 -7.322 -9.462 1.00 0.00 N ATOM 1170 CZ ARG A 75 -4.928 -8.394 -8.703 1.00 0.00 C ATOM 1171 NH1 ARG A 75 -4.966 -8.278 -7.369 1.00 0.00 N ATOM 1172 NH2 ARG A 75 -5.154 -9.583 -9.279 1.00 0.00 N ATOM 0 H ARG A 75 -5.243 -1.700 -9.278 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.797 -3.776 -7.753 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.812 -3.061 -10.711 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.640 -4.148 -9.993 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.670 -4.531 -9.910 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.578 -5.375 -10.990 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.370 -5.902 -8.574 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.041 -5.781 -8.062 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.641 -7.446 -10.474 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.793 -7.373 -6.931 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.168 -9.094 -6.792 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.124 -9.672 -10.295 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.356 -10.399 -8.702 1.00 0.00 H new ATOM 1186 N GLU A 76 -2.944 -0.789 -8.418 1.00 0.00 N ATOM 1187 CA GLU A 76 -1.928 0.239 -8.262 1.00 0.00 C ATOM 1188 C GLU A 76 -2.277 1.155 -7.087 1.00 0.00 C ATOM 1189 O GLU A 76 -3.450 1.334 -6.762 1.00 0.00 O ATOM 1190 CB GLU A 76 -1.759 1.043 -9.552 1.00 0.00 C ATOM 1191 CG GLU A 76 -0.913 0.275 -10.570 1.00 0.00 C ATOM 1192 CD GLU A 76 -1.703 0.016 -11.855 1.00 0.00 C ATOM 1193 OE1 GLU A 76 -1.668 0.906 -12.731 1.00 0.00 O ATOM 1194 OE2 GLU A 76 -2.322 -1.067 -11.931 1.00 0.00 O ATOM 0 H GLU A 76 -3.890 -0.436 -8.559 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.976 -0.247 -8.049 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.738 1.262 -9.979 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.287 2.000 -9.329 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.012 0.843 -10.801 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.591 -0.673 -10.139 1.00 0.00 H new ATOM 1201 N LEU A 77 -1.237 1.710 -6.482 1.00 0.00 N ATOM 1202 CA LEU A 77 -1.419 2.603 -5.350 1.00 0.00 C ATOM 1203 C LEU A 77 -0.148 3.430 -5.149 1.00 0.00 C ATOM 1204 O LEU A 77 0.878 3.160 -5.773 1.00 0.00 O ATOM 1205 CB LEU A 77 -1.842 1.815 -4.109 1.00 0.00 C ATOM 1206 CG LEU A 77 -1.017 0.565 -3.793 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -0.232 0.741 -2.492 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -1.902 -0.683 -3.765 1.00 0.00 C ATOM 0 H LEU A 77 -0.266 1.559 -6.754 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.229 3.305 -5.545 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.799 2.482 -3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.884 1.517 -4.230 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.289 0.425 -4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.346 -0.161 -2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.444 1.591 -2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.925 0.919 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.291 -1.557 -3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.669 -0.568 -2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.377 -0.814 -4.737 1.00 0.00 H new ATOM 1220 N TYR A 78 -0.256 4.421 -4.276 1.00 0.00 N ATOM 1221 CA TYR A 78 0.872 5.289 -3.985 1.00 0.00 C ATOM 1222 C TYR A 78 1.042 5.480 -2.477 1.00 0.00 C ATOM 1223 O TYR A 78 0.059 5.532 -1.739 1.00 0.00 O ATOM 1224 CB TYR A 78 0.541 6.639 -4.624 1.00 0.00 C ATOM 1225 CG TYR A 78 1.567 7.735 -4.331 1.00 0.00 C ATOM 1226 CD1 TYR A 78 1.486 8.461 -3.160 1.00 0.00 C ATOM 1227 CD2 TYR A 78 2.575 7.997 -5.237 1.00 0.00 C ATOM 1228 CE1 TYR A 78 2.452 9.492 -2.884 1.00 0.00 C ATOM 1229 CE2 TYR A 78 3.541 9.028 -4.961 1.00 0.00 C ATOM 1230 CZ TYR A 78 3.432 9.725 -3.798 1.00 0.00 C ATOM 1231 OH TYR A 78 4.345 10.699 -3.538 1.00 0.00 O ATOM 0 H TYR A 78 -1.108 4.642 -3.761 1.00 0.00 H new ATOM 0 HA TYR A 78 1.796 4.859 -4.371 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.462 6.509 -5.703 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.436 6.967 -4.270 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.698 8.256 -2.451 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.639 7.428 -6.153 1.00 0.00 H new ATOM 0 HE1 TYR A 78 2.400 10.068 -1.972 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.334 9.243 -5.661 1.00 0.00 H new ATOM 0 HH TYR A 78 5.163 10.525 -4.049 1.00 0.00 H new ATOM 1241 N ALA A 79 2.297 5.579 -2.063 1.00 0.00 N ATOM 1242 CA ALA A 79 2.608 5.764 -0.656 1.00 0.00 C ATOM 1243 C ALA A 79 3.058 7.207 -0.422 1.00 0.00 C ATOM 1244 O ALA A 79 4.115 7.617 -0.899 1.00 0.00 O ATOM 1245 CB ALA A 79 3.669 4.747 -0.230 1.00 0.00 C ATOM 0 H ALA A 79 3.110 5.535 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 79 1.724 5.591 -0.042 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.903 4.885 0.826 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.290 3.737 -0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.572 4.893 -0.823 1.00 0.00 H new ATOM 1251 N MET A 80 2.233 7.939 0.312 1.00 0.00 N ATOM 1252 CA MET A 80 2.532 9.329 0.614 1.00 0.00 C ATOM 1253 C MET A 80 3.179 9.462 1.994 1.00 0.00 C ATOM 1254 O MET A 80 2.801 8.761 2.931 1.00 0.00 O ATOM 1255 CB MET A 80 1.242 10.150 0.573 1.00 0.00 C ATOM 1256 CG MET A 80 1.513 11.615 0.922 1.00 0.00 C ATOM 1257 SD MET A 80 0.001 12.409 1.439 1.00 0.00 S ATOM 1258 CE MET A 80 -0.929 12.325 -0.082 1.00 0.00 C ATOM 0 H MET A 80 1.357 7.596 0.707 1.00 0.00 H new ATOM 0 HA MET A 80 3.233 9.701 -0.133 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.797 10.085 -0.420 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.519 9.733 1.274 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.256 11.677 1.717 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.928 12.133 0.057 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.393 13.292 -0.279 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.260 12.069 -0.904 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.703 11.563 0.006 1.00 0.00 H new ATOM 1268 N ASP A 81 4.143 10.367 2.076 1.00 0.00 N ATOM 1269 CA ASP A 81 4.846 10.602 3.326 1.00 0.00 C ATOM 1270 C ASP A 81 4.158 11.736 4.088 1.00 0.00 C ATOM 1271 O ASP A 81 4.111 12.870 3.612 1.00 0.00 O ATOM 1272 CB ASP A 81 6.297 11.015 3.073 1.00 0.00 C ATOM 1273 CG ASP A 81 7.018 10.212 1.988 1.00 0.00 C ATOM 1274 OD1 ASP A 81 6.810 10.547 0.802 1.00 0.00 O ATOM 1275 OD2 ASP A 81 7.760 9.282 2.369 1.00 0.00 O ATOM 0 H ASP A 81 4.454 10.947 1.297 1.00 0.00 H new ATOM 0 HA ASP A 81 4.830 9.676 3.901 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.316 12.069 2.797 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.854 10.920 4.005 1.00 0.00 H new