USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 749 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 TYR OH : rot 97:sc= 0.194 USER MOD Set 1.2: A 63 ASN : amide:sc= -3.93! C(o=-3.7!,f=-3!) USER MOD Single : A 9 SER OG : rot 180:sc= -0.827! USER MOD Single : A 10 THR OG1 : rot 129:sc= 0.582 USER MOD Single : A 14 MET CE :methyl -142:sc= -0.0163 (180deg=-0.26) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -3.43! C(o=-3.4!,f=-2.2!) USER MOD Single : A 18 SER OG : rot 28:sc= 0.667 USER MOD Single : A 20 THR OG1 : rot 148:sc= -1.04 USER MOD Single : A 21 MET CE :methyl 172:sc= -1.68 (180deg=-2.1!) USER MOD Single : A 23 SER OG : rot 80:sc= -0.0525! USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= 0.362 K(o=0.36,f=-0.26) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.0363 USER MOD Single : A 48 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.647) USER MOD Single : A 50 HIS : no HD1:sc= -0.376 X(o=-0.38,f=-0.21) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0.099) USER MOD Single : A 55 SER OG : rot 34:sc= 0.0671 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 160:sc= -1.07 (180deg=-2.01!) USER MOD Single : A 60 SER OG : rot -144:sc= -0.558 USER MOD Single : A 61 GLN : amide:sc= -0.025 K(o=-0.025,f=-1.3) USER MOD Single : A 62 THR OG1 : rot 150:sc= -1.43! USER MOD Single : A 64 THR OG1 : rot 43:sc= 0.0107 USER MOD Single : A 74 MET CE :methyl -173:sc= 0 (180deg=-0.0499) USER MOD Single : A 76 TYR OH : rot 180:sc= 0.419 USER MOD Single : A 79 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.38) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 80:sc= -0.0692 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 CYS SG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc=-0.00049 X(o=-0.00049,f=0) USER MOD Single : A 99 THR OG1 : rot -159:sc= 1.18 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.021 -17.320 -4.566 1.00 0.00 N ATOM 60 CA GLY A 7 -1.214 -16.359 -5.295 1.00 0.00 C ATOM 61 C GLY A 7 0.207 -16.282 -4.774 1.00 0.00 C ATOM 62 O GLY A 7 0.648 -17.118 -3.985 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.197 -16.630 -6.351 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.677 -15.374 -5.227 1.00 0.00 H new ATOM 66 N PRO A 8 0.950 -15.258 -5.220 1.00 0.00 N ATOM 67 CA PRO A 8 2.342 -15.052 -4.808 1.00 0.00 C ATOM 68 C PRO A 8 2.457 -14.626 -3.348 1.00 0.00 C ATOM 69 O PRO A 8 1.552 -13.995 -2.802 1.00 0.00 O ATOM 70 CB PRO A 8 2.823 -13.930 -5.731 1.00 0.00 C ATOM 71 CG PRO A 8 1.584 -13.194 -6.110 1.00 0.00 C ATOM 72 CD PRO A 8 0.490 -14.224 -6.161 1.00 0.00 C ATOM 0 HA PRO A 8 2.929 -15.967 -4.885 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.532 -13.276 -5.223 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.330 -14.330 -6.609 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.354 -12.416 -5.382 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.702 -12.702 -7.075 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.470 -13.805 -5.860 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.362 -14.624 -7.167 1.00 0.00 H new ATOM 80 N SER A 9 3.575 -14.976 -2.721 1.00 0.00 N ATOM 81 CA SER A 9 3.807 -14.633 -1.322 1.00 0.00 C ATOM 82 C SER A 9 3.515 -13.157 -1.070 1.00 0.00 C ATOM 83 O SER A 9 3.218 -12.402 -1.997 1.00 0.00 O ATOM 84 CB SER A 9 5.250 -14.954 -0.929 1.00 0.00 C ATOM 85 OG SER A 9 5.647 -14.206 0.208 1.00 0.00 O ATOM 0 H SER A 9 4.335 -15.497 -3.159 1.00 0.00 H new ATOM 0 HA SER A 9 3.131 -15.229 -0.710 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.345 -16.019 -0.719 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.915 -14.734 -1.764 1.00 0.00 H new ATOM 0 HG SER A 9 6.572 -14.430 0.440 1.00 0.00 H new ATOM 91 N THR A 10 3.602 -12.750 0.193 1.00 0.00 N ATOM 92 CA THR A 10 3.346 -11.366 0.570 1.00 0.00 C ATOM 93 C THR A 10 4.339 -10.891 1.625 1.00 0.00 C ATOM 94 O THR A 10 5.215 -11.644 2.051 1.00 0.00 O ATOM 95 CB THR A 10 1.915 -11.185 1.110 1.00 0.00 C ATOM 96 OG1 THR A 10 1.629 -9.793 1.284 1.00 0.00 O ATOM 97 CG2 THR A 10 1.741 -11.914 2.434 1.00 0.00 C ATOM 0 H THR A 10 3.848 -13.360 0.972 1.00 0.00 H new ATOM 0 HA THR A 10 3.464 -10.766 -0.333 1.00 0.00 H new ATOM 0 HB THR A 10 1.220 -11.609 0.385 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.783 -9.575 0.841 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.723 -11.772 2.796 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.930 -12.978 2.291 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.445 -11.515 3.164 1.00 0.00 H new ATOM 105 N VAL A 11 4.196 -9.638 2.043 1.00 0.00 N ATOM 106 CA VAL A 11 5.080 -9.063 3.051 1.00 0.00 C ATOM 107 C VAL A 11 4.551 -9.320 4.457 1.00 0.00 C ATOM 108 O VAL A 11 3.362 -9.169 4.737 1.00 0.00 O ATOM 109 CB VAL A 11 5.250 -7.545 2.848 1.00 0.00 C ATOM 110 CG1 VAL A 11 6.051 -6.940 3.991 1.00 0.00 C ATOM 111 CG2 VAL A 11 5.914 -7.258 1.510 1.00 0.00 C ATOM 0 H VAL A 11 3.477 -9.001 1.700 1.00 0.00 H new ATOM 0 HA VAL A 11 6.049 -9.549 2.936 1.00 0.00 H new ATOM 0 HB VAL A 11 4.263 -7.083 2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.161 -5.867 3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.530 -7.115 4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.037 -7.404 4.030 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.026 -6.181 1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.896 -7.731 1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.297 -7.656 0.705 1.00 0.00 H new ATOM 121 N PRO A 12 5.454 -9.719 5.365 1.00 0.00 N ATOM 122 CA PRO A 12 5.102 -10.005 6.759 1.00 0.00 C ATOM 123 C PRO A 12 4.733 -8.745 7.535 1.00 0.00 C ATOM 124 O PRO A 12 3.747 -8.725 8.271 1.00 0.00 O ATOM 125 CB PRO A 12 6.380 -10.628 7.327 1.00 0.00 C ATOM 126 CG PRO A 12 7.476 -10.086 6.476 1.00 0.00 C ATOM 127 CD PRO A 12 6.889 -9.920 5.101 1.00 0.00 C ATOM 0 HA PRO A 12 4.227 -10.650 6.834 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.521 -10.358 8.374 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.344 -11.716 7.281 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.837 -9.133 6.864 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.328 -10.766 6.457 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.325 -9.069 4.578 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.064 -10.799 4.480 1.00 0.00 H new ATOM 135 N ILE A 13 5.531 -7.696 7.363 1.00 0.00 N ATOM 136 CA ILE A 13 5.286 -6.432 8.046 1.00 0.00 C ATOM 137 C ILE A 13 5.678 -5.248 7.169 1.00 0.00 C ATOM 138 O ILE A 13 6.531 -5.370 6.289 1.00 0.00 O ATOM 139 CB ILE A 13 6.061 -6.350 9.375 1.00 0.00 C ATOM 140 CG1 ILE A 13 5.704 -5.063 10.121 1.00 0.00 C ATOM 141 CG2 ILE A 13 7.559 -6.422 9.119 1.00 0.00 C ATOM 142 CD1 ILE A 13 5.803 -5.189 11.625 1.00 0.00 C ATOM 0 H ILE A 13 6.352 -7.697 6.757 1.00 0.00 H new ATOM 0 HA ILE A 13 4.217 -6.389 8.255 1.00 0.00 H new ATOM 0 HB ILE A 13 5.777 -7.199 9.997 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.366 -4.264 9.787 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.689 -4.768 9.855 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.093 -6.363 10.067 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.799 -7.364 8.625 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.859 -5.591 8.481 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.536 -4.239 12.088 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.121 -5.966 11.971 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.824 -5.453 11.902 1.00 0.00 H new ATOM 154 N MET A 14 5.051 -4.102 7.415 1.00 0.00 N ATOM 155 CA MET A 14 5.337 -2.895 6.649 1.00 0.00 C ATOM 156 C MET A 14 6.162 -1.911 7.472 1.00 0.00 C ATOM 157 O MET A 14 5.978 -1.793 8.684 1.00 0.00 O ATOM 158 CB MET A 14 4.035 -2.232 6.196 1.00 0.00 C ATOM 159 CG MET A 14 3.371 -2.936 5.024 1.00 0.00 C ATOM 160 SD MET A 14 2.263 -1.853 4.101 1.00 0.00 S ATOM 161 CE MET A 14 3.431 -0.984 3.057 1.00 0.00 C ATOM 0 H MET A 14 4.342 -3.984 8.139 1.00 0.00 H new ATOM 0 HA MET A 14 5.915 -3.181 5.771 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.339 -2.205 7.035 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.240 -1.198 5.919 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.139 -3.320 4.353 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.810 -3.795 5.392 1.00 0.00 H new ATOM 0 HE1 MET A 14 3.126 0.058 2.958 1.00 0.00 H new ATOM 0 HE2 MET A 14 4.424 -1.030 3.505 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.455 -1.450 2.072 1.00 0.00 H new ATOM 171 N HIS A 15 7.073 -1.207 6.807 1.00 0.00 N ATOM 172 CA HIS A 15 7.926 -0.233 7.478 1.00 0.00 C ATOM 173 C HIS A 15 7.772 1.148 6.850 1.00 0.00 C ATOM 174 O HIS A 15 7.698 1.279 5.628 1.00 0.00 O ATOM 175 CB HIS A 15 9.389 -0.675 7.415 1.00 0.00 C ATOM 176 CG HIS A 15 9.692 -1.866 8.271 1.00 0.00 C ATOM 177 ND1 HIS A 15 10.013 -1.770 9.608 1.00 0.00 N ATOM 178 CD2 HIS A 15 9.721 -3.186 7.973 1.00 0.00 C ATOM 179 CE1 HIS A 15 10.228 -2.978 10.096 1.00 0.00 C ATOM 180 NE2 HIS A 15 10.056 -3.856 9.124 1.00 0.00 N ATOM 0 H HIS A 15 7.239 -1.293 5.804 1.00 0.00 H new ATOM 0 HA HIS A 15 7.617 -0.174 8.522 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.646 -0.906 6.381 1.00 0.00 H new ATOM 0 HB3 HIS A 15 10.024 0.155 7.724 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.518 -3.630 7.009 1.00 0.00 H new ATOM 0 HE1 HIS A 15 10.498 -3.209 11.116 1.00 0.00 H new ATOM 0 HE2 HIS A 15 10.156 -4.867 9.214 1.00 0.00 H new ATOM 189 N GLN A 16 7.725 2.175 7.693 1.00 0.00 N ATOM 190 CA GLN A 16 7.578 3.546 7.218 1.00 0.00 C ATOM 191 C GLN A 16 8.904 4.296 7.302 1.00 0.00 C ATOM 192 O GLN A 16 9.590 4.252 8.323 1.00 0.00 O ATOM 193 CB GLN A 16 6.512 4.278 8.034 1.00 0.00 C ATOM 194 CG GLN A 16 6.709 5.785 8.079 1.00 0.00 C ATOM 195 CD GLN A 16 5.405 6.540 8.247 1.00 0.00 C ATOM 196 OE1 GLN A 16 4.625 6.259 9.158 1.00 0.00 O ATOM 197 NE2 GLN A 16 5.161 7.504 7.368 1.00 0.00 N ATOM 0 H GLN A 16 7.787 2.084 8.707 1.00 0.00 H new ATOM 0 HA GLN A 16 7.267 3.512 6.174 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.531 4.061 7.612 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.515 3.889 9.052 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.378 6.036 8.902 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.197 6.111 7.161 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.835 7.703 6.629 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.299 8.046 7.431 1.00 0.00 H new ATOM 206 N VAL A 17 9.259 4.983 6.222 1.00 0.00 N ATOM 207 CA VAL A 17 10.502 5.744 6.173 1.00 0.00 C ATOM 208 C VAL A 17 10.260 7.214 6.496 1.00 0.00 C ATOM 209 O VAL A 17 10.993 7.817 7.280 1.00 0.00 O ATOM 210 CB VAL A 17 11.172 5.637 4.791 1.00 0.00 C ATOM 211 CG1 VAL A 17 12.659 5.938 4.893 1.00 0.00 C ATOM 212 CG2 VAL A 17 10.939 4.258 4.191 1.00 0.00 C ATOM 0 H VAL A 17 8.703 5.029 5.368 1.00 0.00 H new ATOM 0 HA VAL A 17 11.165 5.315 6.924 1.00 0.00 H new ATOM 0 HB VAL A 17 10.721 6.377 4.130 1.00 0.00 H new ATOM 0 HG11 VAL A 17 13.115 5.857 3.906 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.800 6.948 5.277 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.129 5.224 5.569 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.419 4.200 3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 17 11.362 3.499 4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.868 4.086 4.079 1.00 0.00 H new ATOM 222 N SER A 18 9.226 7.785 5.887 1.00 0.00 N ATOM 223 CA SER A 18 8.888 9.187 6.106 1.00 0.00 C ATOM 224 C SER A 18 7.427 9.455 5.759 1.00 0.00 C ATOM 225 O SER A 18 6.699 8.550 5.351 1.00 0.00 O ATOM 226 CB SER A 18 9.797 10.090 5.270 1.00 0.00 C ATOM 227 OG SER A 18 11.016 10.351 5.944 1.00 0.00 O ATOM 0 H SER A 18 8.608 7.299 5.238 1.00 0.00 H new ATOM 0 HA SER A 18 9.039 9.410 7.162 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.003 9.616 4.310 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.286 11.029 5.058 1.00 0.00 H new ATOM 0 HG SER A 18 11.223 9.606 6.546 1.00 0.00 H new ATOM 233 N ALA A 19 7.006 10.705 5.923 1.00 0.00 N ATOM 234 CA ALA A 19 5.633 11.093 5.625 1.00 0.00 C ATOM 235 C ALA A 19 5.462 12.607 5.701 1.00 0.00 C ATOM 236 O ALA A 19 6.056 13.267 6.554 1.00 0.00 O ATOM 237 CB ALA A 19 4.670 10.403 6.579 1.00 0.00 C ATOM 0 H ALA A 19 7.596 11.466 6.260 1.00 0.00 H new ATOM 0 HA ALA A 19 5.406 10.778 4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.648 10.702 6.344 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.765 9.322 6.473 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.906 10.689 7.604 1.00 0.00 H new ATOM 243 N THR A 20 4.647 13.152 4.803 1.00 0.00 N ATOM 244 CA THR A 20 4.400 14.588 4.768 1.00 0.00 C ATOM 245 C THR A 20 3.039 14.926 5.367 1.00 0.00 C ATOM 246 O THR A 20 2.344 14.052 5.884 1.00 0.00 O ATOM 247 CB THR A 20 4.465 15.134 3.329 1.00 0.00 C ATOM 248 OG1 THR A 20 3.178 15.037 2.710 1.00 0.00 O ATOM 249 CG2 THR A 20 5.489 14.368 2.506 1.00 0.00 C ATOM 0 H THR A 20 4.147 12.620 4.090 1.00 0.00 H new ATOM 0 HA THR A 20 5.183 15.058 5.363 1.00 0.00 H new ATOM 0 HB THR A 20 4.768 16.180 3.374 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.062 15.778 2.079 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.517 14.771 1.494 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.473 14.469 2.964 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.212 13.314 2.469 1.00 0.00 H new ATOM 257 N MET A 21 2.665 16.199 5.292 1.00 0.00 N ATOM 258 CA MET A 21 1.386 16.652 5.826 1.00 0.00 C ATOM 259 C MET A 21 0.247 16.313 4.869 1.00 0.00 C ATOM 260 O MET A 21 -0.922 16.322 5.253 1.00 0.00 O ATOM 261 CB MET A 21 1.420 18.160 6.082 1.00 0.00 C ATOM 262 CG MET A 21 2.084 18.538 7.396 1.00 0.00 C ATOM 263 SD MET A 21 1.897 20.288 7.790 1.00 0.00 S ATOM 264 CE MET A 21 0.156 20.528 7.447 1.00 0.00 C ATOM 0 H MET A 21 3.229 16.935 4.867 1.00 0.00 H new ATOM 0 HA MET A 21 1.211 16.135 6.769 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.949 18.647 5.263 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.400 18.544 6.076 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.655 17.941 8.200 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.145 18.292 7.347 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.146 21.522 7.777 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.020 20.432 6.376 1.00 0.00 H new ATOM 0 HE3 MET A 21 -0.427 19.777 7.980 1.00 0.00 H new ATOM 274 N ARG A 22 0.597 16.014 3.622 1.00 0.00 N ATOM 275 CA ARG A 22 -0.396 15.673 2.611 1.00 0.00 C ATOM 276 C ARG A 22 -0.035 14.365 1.913 1.00 0.00 C ATOM 277 O ARG A 22 -0.662 13.983 0.925 1.00 0.00 O ATOM 278 CB ARG A 22 -0.512 16.798 1.580 1.00 0.00 C ATOM 279 CG ARG A 22 -0.891 18.140 2.184 1.00 0.00 C ATOM 280 CD ARG A 22 -0.338 19.296 1.365 1.00 0.00 C ATOM 281 NE ARG A 22 1.087 19.507 1.608 1.00 0.00 N ATOM 282 CZ ARG A 22 1.581 19.909 2.774 1.00 0.00 C ATOM 283 NH1 ARG A 22 0.771 20.142 3.797 1.00 0.00 N ATOM 284 NH2 ARG A 22 2.890 20.078 2.918 1.00 0.00 N ATOM 0 H ARG A 22 1.561 16.001 3.288 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.357 15.545 3.110 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.439 16.900 1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.257 16.521 0.835 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.976 18.220 2.242 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.512 18.201 3.204 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.500 19.099 0.305 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.886 20.207 1.607 1.00 0.00 H new ATOM 0 HE ARG A 22 1.738 19.337 0.841 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.235 20.013 3.691 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.154 20.450 4.691 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.517 19.899 2.133 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.269 20.387 3.813 1.00 0.00 H new ATOM 298 N SER A 23 0.980 13.683 2.434 1.00 0.00 N ATOM 299 CA SER A 23 1.428 12.420 1.859 1.00 0.00 C ATOM 300 C SER A 23 2.053 11.528 2.927 1.00 0.00 C ATOM 301 O SER A 23 2.232 11.945 4.072 1.00 0.00 O ATOM 302 CB SER A 23 2.436 12.675 0.737 1.00 0.00 C ATOM 303 OG SER A 23 3.292 11.560 0.557 1.00 0.00 O ATOM 0 H SER A 23 1.508 13.984 3.253 1.00 0.00 H new ATOM 0 HA SER A 23 0.558 11.908 1.447 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.906 12.884 -0.192 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.029 13.559 0.971 1.00 0.00 H new ATOM 0 HG SER A 23 2.832 10.877 0.025 1.00 0.00 H new ATOM 309 N ILE A 24 2.383 10.299 2.544 1.00 0.00 N ATOM 310 CA ILE A 24 2.989 9.348 3.468 1.00 0.00 C ATOM 311 C ILE A 24 3.881 8.357 2.729 1.00 0.00 C ATOM 312 O ILE A 24 3.448 7.700 1.782 1.00 0.00 O ATOM 313 CB ILE A 24 1.919 8.570 4.256 1.00 0.00 C ATOM 314 CG1 ILE A 24 0.920 9.537 4.894 1.00 0.00 C ATOM 315 CG2 ILE A 24 2.573 7.700 5.319 1.00 0.00 C ATOM 316 CD1 ILE A 24 -0.257 8.847 5.548 1.00 0.00 C ATOM 0 H ILE A 24 2.241 9.939 1.600 1.00 0.00 H new ATOM 0 HA ILE A 24 3.594 9.927 4.166 1.00 0.00 H new ATOM 0 HB ILE A 24 1.379 7.923 3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.437 10.141 5.640 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.551 10.221 4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.804 7.156 5.868 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.249 6.990 4.843 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.135 8.329 6.009 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.923 9.594 5.979 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.798 8.265 4.802 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.102 8.184 6.335 1.00 0.00 H new ATOM 328 N THR A 25 5.131 8.252 3.169 1.00 0.00 N ATOM 329 CA THR A 25 6.085 7.340 2.551 1.00 0.00 C ATOM 330 C THR A 25 6.163 6.024 3.316 1.00 0.00 C ATOM 331 O THR A 25 6.241 6.012 4.545 1.00 0.00 O ATOM 332 CB THR A 25 7.492 7.963 2.480 1.00 0.00 C ATOM 333 OG1 THR A 25 7.405 9.321 2.035 1.00 0.00 O ATOM 334 CG2 THR A 25 8.387 7.172 1.538 1.00 0.00 C ATOM 0 H THR A 25 5.506 8.788 3.952 1.00 0.00 H new ATOM 0 HA THR A 25 5.729 7.148 1.539 1.00 0.00 H new ATOM 0 HB THR A 25 7.928 7.936 3.479 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.304 9.710 1.994 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.375 7.631 1.504 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.475 6.146 1.896 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.953 7.172 0.538 1.00 0.00 H new ATOM 342 N LEU A 26 6.141 4.917 2.582 1.00 0.00 N ATOM 343 CA LEU A 26 6.209 3.593 3.192 1.00 0.00 C ATOM 344 C LEU A 26 7.196 2.701 2.446 1.00 0.00 C ATOM 345 O LEU A 26 7.646 3.036 1.350 1.00 0.00 O ATOM 346 CB LEU A 26 4.825 2.943 3.204 1.00 0.00 C ATOM 347 CG LEU A 26 3.657 3.858 3.578 1.00 0.00 C ATOM 348 CD1 LEU A 26 2.335 3.234 3.160 1.00 0.00 C ATOM 349 CD2 LEU A 26 3.664 4.146 5.072 1.00 0.00 C ATOM 0 H LEU A 26 6.077 4.909 1.564 1.00 0.00 H new ATOM 0 HA LEU A 26 6.557 3.710 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.632 2.527 2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.844 2.107 3.903 1.00 0.00 H new ATOM 0 HG LEU A 26 3.774 4.802 3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.516 3.899 3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.331 3.079 2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.209 2.276 3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.827 4.798 5.321 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.571 3.210 5.623 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.599 4.636 5.344 1.00 0.00 H new ATOM 361 N SER A 27 7.527 1.562 3.046 1.00 0.00 N ATOM 362 CA SER A 27 8.461 0.621 2.439 1.00 0.00 C ATOM 363 C SER A 27 8.293 -0.773 3.036 1.00 0.00 C ATOM 364 O SER A 27 8.037 -0.921 4.231 1.00 0.00 O ATOM 365 CB SER A 27 9.900 1.102 2.634 1.00 0.00 C ATOM 366 OG SER A 27 10.425 0.652 3.871 1.00 0.00 O ATOM 0 H SER A 27 7.162 1.269 3.952 1.00 0.00 H new ATOM 0 HA SER A 27 8.244 0.568 1.372 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.523 0.737 1.817 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.931 2.191 2.597 1.00 0.00 H new ATOM 0 HG SER A 27 11.346 0.971 3.971 1.00 0.00 H new ATOM 372 N TRP A 28 8.439 -1.791 2.196 1.00 0.00 N ATOM 373 CA TRP A 28 8.304 -3.174 2.640 1.00 0.00 C ATOM 374 C TRP A 28 9.367 -4.058 1.998 1.00 0.00 C ATOM 375 O TRP A 28 9.813 -3.818 0.875 1.00 0.00 O ATOM 376 CB TRP A 28 6.909 -3.705 2.303 1.00 0.00 C ATOM 377 CG TRP A 28 6.541 -3.534 0.860 1.00 0.00 C ATOM 378 CD1 TRP A 28 6.528 -4.502 -0.103 1.00 0.00 C ATOM 379 CD2 TRP A 28 6.136 -2.320 0.217 1.00 0.00 C ATOM 380 NE1 TRP A 28 6.138 -3.964 -1.306 1.00 0.00 N ATOM 381 CE2 TRP A 28 5.892 -2.628 -1.136 1.00 0.00 C ATOM 382 CE3 TRP A 28 5.955 -1.005 0.652 1.00 0.00 C ATOM 383 CZ2 TRP A 28 5.476 -1.667 -2.054 1.00 0.00 C ATOM 384 CZ3 TRP A 28 5.543 -0.052 -0.260 1.00 0.00 C ATOM 385 CH2 TRP A 28 5.307 -0.387 -1.600 1.00 0.00 C ATOM 0 H TRP A 28 8.651 -1.685 1.204 1.00 0.00 H new ATOM 0 HA TRP A 28 8.443 -3.198 3.721 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.859 -4.763 2.560 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.173 -3.191 2.922 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.786 -5.538 0.057 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.047 -4.477 -2.183 1.00 0.00 H new ATOM 0 HE3 TRP A 28 6.134 -0.738 1.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.293 -1.923 -3.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.401 0.968 0.065 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.985 0.380 -2.288 1.00 0.00 H new ATOM 396 N PRO A 29 9.784 -5.106 2.724 1.00 0.00 N ATOM 397 CA PRO A 29 10.800 -6.047 2.244 1.00 0.00 C ATOM 398 C PRO A 29 10.289 -6.918 1.100 1.00 0.00 C ATOM 399 O PRO A 29 9.095 -7.200 1.010 1.00 0.00 O ATOM 400 CB PRO A 29 11.099 -6.905 3.476 1.00 0.00 C ATOM 401 CG PRO A 29 9.862 -6.825 4.302 1.00 0.00 C ATOM 402 CD PRO A 29 9.296 -5.452 4.069 1.00 0.00 C ATOM 0 HA PRO A 29 11.674 -5.534 1.843 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.323 -7.935 3.197 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.964 -6.527 4.021 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.148 -7.596 4.011 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.087 -6.980 5.357 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.207 -5.453 4.113 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.645 -4.741 4.818 1.00 0.00 H new ATOM 410 N GLN A 30 11.201 -7.340 0.231 1.00 0.00 N ATOM 411 CA GLN A 30 10.842 -8.178 -0.906 1.00 0.00 C ATOM 412 C GLN A 30 10.656 -9.629 -0.476 1.00 0.00 C ATOM 413 O GLN A 30 11.467 -10.193 0.259 1.00 0.00 O ATOM 414 CB GLN A 30 11.916 -8.089 -1.992 1.00 0.00 C ATOM 415 CG GLN A 30 11.567 -8.857 -3.257 1.00 0.00 C ATOM 416 CD GLN A 30 12.754 -9.023 -4.185 1.00 0.00 C ATOM 417 OE1 GLN A 30 13.752 -8.311 -4.069 1.00 0.00 O ATOM 418 NE2 GLN A 30 12.652 -9.966 -5.114 1.00 0.00 N ATOM 0 H GLN A 30 12.194 -7.115 0.293 1.00 0.00 H new ATOM 0 HA GLN A 30 9.897 -7.814 -1.309 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.078 -7.041 -2.246 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.856 -8.470 -1.593 1.00 0.00 H new ATOM 0 HG2 GLN A 30 11.182 -9.840 -2.986 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.768 -8.336 -3.785 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.806 -10.533 -5.174 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.419 -10.123 -5.767 1.00 0.00 H new ATOM 427 N PRO A 31 9.563 -10.250 -0.943 1.00 0.00 N ATOM 428 CA PRO A 31 9.245 -11.644 -0.619 1.00 0.00 C ATOM 429 C PRO A 31 10.205 -12.627 -1.281 1.00 0.00 C ATOM 430 O PRO A 31 10.973 -12.255 -2.168 1.00 0.00 O ATOM 431 CB PRO A 31 7.830 -11.824 -1.174 1.00 0.00 C ATOM 432 CG PRO A 31 7.718 -10.811 -2.261 1.00 0.00 C ATOM 433 CD PRO A 31 8.553 -9.640 -1.823 1.00 0.00 C ATOM 0 HA PRO A 31 9.327 -11.842 0.450 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.680 -12.834 -1.557 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.078 -11.661 -0.402 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.077 -11.214 -3.208 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.680 -10.515 -2.413 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.013 -9.135 -2.672 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.956 -8.897 -1.295 1.00 0.00 H new ATOM 441 N GLU A 32 10.156 -13.881 -0.843 1.00 0.00 N ATOM 442 CA GLU A 32 11.023 -14.916 -1.394 1.00 0.00 C ATOM 443 C GLU A 32 10.200 -16.042 -2.014 1.00 0.00 C ATOM 444 O GLU A 32 10.741 -16.928 -2.675 1.00 0.00 O ATOM 445 CB GLU A 32 11.938 -15.479 -0.305 1.00 0.00 C ATOM 446 CG GLU A 32 11.195 -16.230 0.786 1.00 0.00 C ATOM 447 CD GLU A 32 11.955 -16.255 2.098 1.00 0.00 C ATOM 448 OE1 GLU A 32 12.770 -17.181 2.294 1.00 0.00 O ATOM 449 OE2 GLU A 32 11.734 -15.350 2.930 1.00 0.00 O ATOM 0 H GLU A 32 9.526 -14.205 -0.109 1.00 0.00 H new ATOM 0 HA GLU A 32 11.635 -14.464 -2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.666 -16.148 -0.764 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.498 -14.660 0.146 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.221 -15.766 0.943 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.011 -17.253 0.457 1.00 0.00 H new ATOM 456 N GLN A 33 8.890 -15.999 -1.795 1.00 0.00 N ATOM 457 CA GLN A 33 7.992 -17.016 -2.331 1.00 0.00 C ATOM 458 C GLN A 33 6.961 -16.393 -3.266 1.00 0.00 C ATOM 459 O GLN A 33 5.764 -16.670 -3.183 1.00 0.00 O ATOM 460 CB GLN A 33 7.286 -17.753 -1.192 1.00 0.00 C ATOM 461 CG GLN A 33 8.060 -18.954 -0.672 1.00 0.00 C ATOM 462 CD GLN A 33 7.238 -19.816 0.266 1.00 0.00 C ATOM 463 OE1 GLN A 33 6.956 -19.426 1.399 1.00 0.00 O ATOM 464 NE2 GLN A 33 6.850 -20.997 -0.202 1.00 0.00 N ATOM 0 H GLN A 33 8.427 -15.272 -1.251 1.00 0.00 H new ATOM 0 HA GLN A 33 8.588 -17.728 -2.901 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.116 -17.057 -0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.306 -18.084 -1.537 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.395 -19.558 -1.515 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.954 -18.608 -0.152 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.106 -21.280 -1.148 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.296 -21.621 0.384 1.00 0.00 H new ATOM 473 N PRO A 34 7.434 -15.531 -4.179 1.00 0.00 N ATOM 474 CA PRO A 34 6.569 -14.852 -5.148 1.00 0.00 C ATOM 475 C PRO A 34 6.010 -15.808 -6.196 1.00 0.00 C ATOM 476 O PRO A 34 5.271 -15.399 -7.091 1.00 0.00 O ATOM 477 CB PRO A 34 7.502 -13.829 -5.800 1.00 0.00 C ATOM 478 CG PRO A 34 8.867 -14.404 -5.638 1.00 0.00 C ATOM 479 CD PRO A 34 8.848 -15.154 -4.335 1.00 0.00 C ATOM 0 HA PRO A 34 5.694 -14.409 -4.673 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.256 -13.683 -6.852 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.422 -12.856 -5.316 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.112 -15.068 -6.467 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.622 -13.618 -5.625 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.496 -16.030 -4.366 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.192 -14.532 -3.508 1.00 0.00 H new ATOM 487 N ASN A 35 6.368 -17.082 -6.080 1.00 0.00 N ATOM 488 CA ASN A 35 5.902 -18.096 -7.018 1.00 0.00 C ATOM 489 C ASN A 35 5.945 -17.573 -8.450 1.00 0.00 C ATOM 490 O ASN A 35 5.208 -18.042 -9.316 1.00 0.00 O ATOM 491 CB ASN A 35 4.479 -18.532 -6.665 1.00 0.00 C ATOM 492 CG ASN A 35 4.434 -19.421 -5.437 1.00 0.00 C ATOM 493 OD1 ASN A 35 4.019 -20.578 -5.509 1.00 0.00 O ATOM 494 ND2 ASN A 35 4.863 -18.883 -4.301 1.00 0.00 N ATOM 0 H ASN A 35 6.980 -17.437 -5.345 1.00 0.00 H new ATOM 0 HA ASN A 35 6.567 -18.956 -6.944 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.863 -17.649 -6.494 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.045 -19.064 -7.511 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.857 -19.433 -3.442 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.199 -17.920 -4.288 1.00 0.00 H new ATOM 501 N GLY A 36 6.816 -16.597 -8.692 1.00 0.00 N ATOM 502 CA GLY A 36 6.939 -16.026 -10.021 1.00 0.00 C ATOM 503 C GLY A 36 7.330 -14.562 -9.988 1.00 0.00 C ATOM 504 O GLY A 36 6.923 -13.824 -9.090 1.00 0.00 O ATOM 0 H GLY A 36 7.438 -16.192 -7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.684 -16.586 -10.586 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.992 -16.134 -10.549 1.00 0.00 H new ATOM 508 N ILE A 37 8.122 -14.141 -10.968 1.00 0.00 N ATOM 509 CA ILE A 37 8.568 -12.755 -11.047 1.00 0.00 C ATOM 510 C ILE A 37 7.463 -11.796 -10.618 1.00 0.00 C ATOM 511 O ILE A 37 6.289 -12.012 -10.921 1.00 0.00 O ATOM 512 CB ILE A 37 9.024 -12.391 -12.473 1.00 0.00 C ATOM 513 CG1 ILE A 37 10.273 -13.189 -12.852 1.00 0.00 C ATOM 514 CG2 ILE A 37 9.290 -10.897 -12.578 1.00 0.00 C ATOM 515 CD1 ILE A 37 11.285 -13.294 -11.733 1.00 0.00 C ATOM 0 H ILE A 37 8.468 -14.739 -11.718 1.00 0.00 H new ATOM 0 HA ILE A 37 9.414 -12.657 -10.367 1.00 0.00 H new ATOM 0 HB ILE A 37 8.227 -12.648 -13.171 1.00 0.00 H new ATOM 0 HG12 ILE A 37 9.975 -14.192 -13.157 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.745 -12.721 -13.716 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.611 -10.655 -13.591 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.378 -10.348 -12.346 1.00 0.00 H new ATOM 0 HG23 ILE A 37 10.072 -10.616 -11.872 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.144 -13.873 -12.072 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.612 -12.295 -11.443 1.00 0.00 H new ATOM 0 HD13 ILE A 37 10.829 -13.790 -10.876 1.00 0.00 H new ATOM 527 N ILE A 38 7.846 -10.737 -9.914 1.00 0.00 N ATOM 528 CA ILE A 38 6.888 -9.744 -9.446 1.00 0.00 C ATOM 529 C ILE A 38 6.881 -8.517 -10.352 1.00 0.00 C ATOM 530 O ILE A 38 7.794 -7.692 -10.306 1.00 0.00 O ATOM 531 CB ILE A 38 7.195 -9.300 -8.004 1.00 0.00 C ATOM 532 CG1 ILE A 38 7.078 -10.488 -7.046 1.00 0.00 C ATOM 533 CG2 ILE A 38 6.257 -8.179 -7.583 1.00 0.00 C ATOM 534 CD1 ILE A 38 7.760 -10.260 -5.715 1.00 0.00 C ATOM 0 H ILE A 38 8.814 -10.544 -9.655 1.00 0.00 H new ATOM 0 HA ILE A 38 5.907 -10.218 -9.471 1.00 0.00 H new ATOM 0 HB ILE A 38 8.218 -8.925 -7.965 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.023 -10.702 -6.873 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.509 -11.370 -7.520 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.487 -7.877 -6.561 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.385 -7.327 -8.251 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.226 -8.529 -7.634 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.637 -11.142 -5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.822 -10.076 -5.877 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.313 -9.397 -5.220 1.00 0.00 H new ATOM 546 N LEU A 39 5.844 -8.403 -11.175 1.00 0.00 N ATOM 547 CA LEU A 39 5.716 -7.275 -12.092 1.00 0.00 C ATOM 548 C LEU A 39 5.772 -5.951 -11.338 1.00 0.00 C ATOM 549 O LEU A 39 6.661 -5.131 -11.568 1.00 0.00 O ATOM 550 CB LEU A 39 4.405 -7.375 -12.874 1.00 0.00 C ATOM 551 CG LEU A 39 4.145 -8.705 -13.583 1.00 0.00 C ATOM 552 CD1 LEU A 39 2.652 -8.975 -13.681 1.00 0.00 C ATOM 553 CD2 LEU A 39 4.781 -8.705 -14.966 1.00 0.00 C ATOM 0 H LEU A 39 5.080 -9.077 -11.226 1.00 0.00 H new ATOM 0 HA LEU A 39 6.552 -7.309 -12.790 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.580 -7.185 -12.187 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.388 -6.580 -13.619 1.00 0.00 H new ATOM 0 HG LEU A 39 4.599 -9.503 -12.996 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.487 -9.925 -14.188 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.224 -9.019 -12.680 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.174 -8.174 -14.245 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.586 -9.659 -15.456 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.356 -7.897 -15.562 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.857 -8.559 -14.872 1.00 0.00 H new ATOM 565 N ASP A 40 4.819 -5.749 -10.435 1.00 0.00 N ATOM 566 CA ASP A 40 4.761 -4.526 -9.644 1.00 0.00 C ATOM 567 C ASP A 40 4.089 -4.780 -8.298 1.00 0.00 C ATOM 568 O ASP A 40 3.733 -5.913 -7.975 1.00 0.00 O ATOM 569 CB ASP A 40 4.008 -3.435 -10.406 1.00 0.00 C ATOM 570 CG ASP A 40 2.726 -3.947 -11.034 1.00 0.00 C ATOM 571 OD1 ASP A 40 2.809 -4.648 -12.065 1.00 0.00 O ATOM 572 OD2 ASP A 40 1.641 -3.648 -10.494 1.00 0.00 O ATOM 0 H ASP A 40 4.075 -6.417 -10.233 1.00 0.00 H new ATOM 0 HA ASP A 40 5.783 -4.192 -9.462 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.774 -2.616 -9.726 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.653 -3.028 -11.185 1.00 0.00 H new ATOM 577 N TYR A 41 3.920 -3.719 -7.517 1.00 0.00 N ATOM 578 CA TYR A 41 3.294 -3.827 -6.205 1.00 0.00 C ATOM 579 C TYR A 41 2.166 -2.811 -6.054 1.00 0.00 C ATOM 580 O TYR A 41 2.385 -1.605 -6.158 1.00 0.00 O ATOM 581 CB TYR A 41 4.333 -3.620 -5.102 1.00 0.00 C ATOM 582 CG TYR A 41 5.512 -4.562 -5.197 1.00 0.00 C ATOM 583 CD1 TYR A 41 6.440 -4.443 -6.225 1.00 0.00 C ATOM 584 CD2 TYR A 41 5.699 -5.570 -4.260 1.00 0.00 C ATOM 585 CE1 TYR A 41 7.519 -5.302 -6.316 1.00 0.00 C ATOM 586 CE2 TYR A 41 6.775 -6.432 -4.342 1.00 0.00 C ATOM 587 CZ TYR A 41 7.682 -6.294 -5.372 1.00 0.00 C ATOM 588 OH TYR A 41 8.755 -7.151 -5.458 1.00 0.00 O ATOM 0 H TYR A 41 4.208 -2.774 -7.770 1.00 0.00 H new ATOM 0 HA TYR A 41 2.872 -4.828 -6.114 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.695 -2.593 -5.144 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.852 -3.750 -4.132 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.316 -3.666 -6.965 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.990 -5.682 -3.453 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.230 -5.197 -7.122 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.905 -7.210 -3.604 1.00 0.00 H new ATOM 0 HH TYR A 41 9.473 -6.836 -4.870 1.00 0.00 H new ATOM 598 N GLU A 42 0.958 -3.310 -5.806 1.00 0.00 N ATOM 599 CA GLU A 42 -0.204 -2.446 -5.641 1.00 0.00 C ATOM 600 C GLU A 42 -0.390 -2.058 -4.176 1.00 0.00 C ATOM 601 O GLU A 42 -0.132 -2.856 -3.275 1.00 0.00 O ATOM 602 CB GLU A 42 -1.464 -3.143 -6.159 1.00 0.00 C ATOM 603 CG GLU A 42 -2.513 -2.185 -6.698 1.00 0.00 C ATOM 604 CD GLU A 42 -3.361 -2.804 -7.791 1.00 0.00 C ATOM 605 OE1 GLU A 42 -2.784 -3.313 -8.775 1.00 0.00 O ATOM 606 OE2 GLU A 42 -4.603 -2.779 -7.663 1.00 0.00 O ATOM 0 H GLU A 42 0.760 -4.306 -5.715 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.035 -1.539 -6.221 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.184 -3.842 -6.947 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.902 -3.731 -5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.159 -1.862 -5.881 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.020 -1.294 -7.086 1.00 0.00 H new ATOM 613 N ILE A 43 -0.838 -0.828 -3.948 1.00 0.00 N ATOM 614 CA ILE A 43 -1.059 -0.335 -2.594 1.00 0.00 C ATOM 615 C ILE A 43 -2.425 0.332 -2.468 1.00 0.00 C ATOM 616 O ILE A 43 -2.766 1.223 -3.245 1.00 0.00 O ATOM 617 CB ILE A 43 0.031 0.670 -2.177 1.00 0.00 C ATOM 618 CG1 ILE A 43 1.407 0.002 -2.202 1.00 0.00 C ATOM 619 CG2 ILE A 43 -0.267 1.230 -0.794 1.00 0.00 C ATOM 620 CD1 ILE A 43 2.073 0.041 -3.560 1.00 0.00 C ATOM 0 H ILE A 43 -1.055 -0.155 -4.683 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.017 -1.200 -1.932 1.00 0.00 H new ATOM 0 HB ILE A 43 0.036 1.495 -2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.054 0.493 -1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.304 -1.036 -1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.512 1.939 -0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.232 1.737 -0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.295 0.416 -0.070 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.044 -0.451 -3.503 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.447 -0.476 -4.287 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.208 1.077 -3.869 1.00 0.00 H new ATOM 632 N ARG A 44 -3.202 -0.106 -1.482 1.00 0.00 N ATOM 633 CA ARG A 44 -4.530 0.449 -1.254 1.00 0.00 C ATOM 634 C ARG A 44 -4.574 1.234 0.055 1.00 0.00 C ATOM 635 O ARG A 44 -4.113 0.756 1.092 1.00 0.00 O ATOM 636 CB ARG A 44 -5.575 -0.668 -1.226 1.00 0.00 C ATOM 637 CG ARG A 44 -6.950 -0.205 -0.774 1.00 0.00 C ATOM 638 CD ARG A 44 -7.754 -1.348 -0.175 1.00 0.00 C ATOM 639 NE ARG A 44 -8.293 -2.235 -1.202 1.00 0.00 N ATOM 640 CZ ARG A 44 -9.411 -1.987 -1.875 1.00 0.00 C ATOM 641 NH1 ARG A 44 -10.105 -0.884 -1.630 1.00 0.00 N ATOM 642 NH2 ARG A 44 -9.838 -2.842 -2.795 1.00 0.00 N ATOM 0 H ARG A 44 -2.934 -0.843 -0.829 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.757 1.130 -2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.657 -1.102 -2.222 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.231 -1.459 -0.560 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.843 0.591 -0.037 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.490 0.216 -1.622 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.121 -1.921 0.503 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.572 -0.943 0.420 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.783 -3.092 -1.414 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.781 -0.224 -0.923 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.963 -0.696 -2.148 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.308 -3.692 -2.987 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.697 -2.650 -3.311 1.00 0.00 H new ATOM 656 N TYR A 45 -5.129 2.439 -0.002 1.00 0.00 N ATOM 657 CA TYR A 45 -5.231 3.290 1.177 1.00 0.00 C ATOM 658 C TYR A 45 -6.607 3.944 1.261 1.00 0.00 C ATOM 659 O TYR A 45 -7.086 4.536 0.293 1.00 0.00 O ATOM 660 CB TYR A 45 -4.144 4.367 1.149 1.00 0.00 C ATOM 661 CG TYR A 45 -4.145 5.195 -0.116 1.00 0.00 C ATOM 662 CD1 TYR A 45 -3.563 4.717 -1.284 1.00 0.00 C ATOM 663 CD2 TYR A 45 -4.725 6.457 -0.143 1.00 0.00 C ATOM 664 CE1 TYR A 45 -3.561 5.470 -2.441 1.00 0.00 C ATOM 665 CE2 TYR A 45 -4.729 7.217 -1.296 1.00 0.00 C ATOM 666 CZ TYR A 45 -4.145 6.720 -2.443 1.00 0.00 C ATOM 667 OH TYR A 45 -4.146 7.474 -3.594 1.00 0.00 O ATOM 0 H TYR A 45 -5.515 2.849 -0.852 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.092 2.664 2.058 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.277 5.028 2.006 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.170 3.891 1.261 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.104 3.739 -1.287 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.181 6.851 0.753 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.105 5.083 -3.340 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.187 8.195 -1.300 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.598 8.327 -3.426 1.00 0.00 H new ATOM 677 N TYR A 46 -7.237 3.832 2.424 1.00 0.00 N ATOM 678 CA TYR A 46 -8.559 4.409 2.636 1.00 0.00 C ATOM 679 C TYR A 46 -8.660 5.048 4.018 1.00 0.00 C ATOM 680 O TYR A 46 -8.036 4.586 4.973 1.00 0.00 O ATOM 681 CB TYR A 46 -9.638 3.337 2.478 1.00 0.00 C ATOM 682 CG TYR A 46 -9.509 2.197 3.464 1.00 0.00 C ATOM 683 CD1 TYR A 46 -9.777 2.387 4.814 1.00 0.00 C ATOM 684 CD2 TYR A 46 -9.120 0.931 3.045 1.00 0.00 C ATOM 685 CE1 TYR A 46 -9.660 1.349 5.718 1.00 0.00 C ATOM 686 CE2 TYR A 46 -9.001 -0.113 3.942 1.00 0.00 C ATOM 687 CZ TYR A 46 -9.271 0.101 5.277 1.00 0.00 C ATOM 688 OH TYR A 46 -9.154 -0.936 6.174 1.00 0.00 O ATOM 0 H TYR A 46 -6.854 3.347 3.235 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.713 5.184 1.885 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.618 3.800 2.597 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.595 2.937 1.465 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.082 3.363 5.163 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.907 0.760 2.000 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.872 1.514 6.764 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.698 -1.091 3.599 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.872 -1.747 5.702 1.00 0.00 H new ATOM 698 N GLU A 47 -9.450 6.112 4.115 1.00 0.00 N ATOM 699 CA GLU A 47 -9.633 6.815 5.379 1.00 0.00 C ATOM 700 C GLU A 47 -10.125 5.862 6.465 1.00 0.00 C ATOM 701 O GLU A 47 -11.015 5.044 6.232 1.00 0.00 O ATOM 702 CB GLU A 47 -10.624 7.968 5.209 1.00 0.00 C ATOM 703 CG GLU A 47 -9.977 9.266 4.756 1.00 0.00 C ATOM 704 CD GLU A 47 -10.924 10.447 4.830 1.00 0.00 C ATOM 705 OE1 GLU A 47 -11.590 10.610 5.874 1.00 0.00 O ATOM 706 OE2 GLU A 47 -11.000 11.209 3.843 1.00 0.00 O ATOM 0 H GLU A 47 -9.974 6.506 3.333 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.667 7.218 5.684 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.384 7.678 4.483 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.136 8.138 6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.103 9.467 5.375 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.623 9.153 3.731 1.00 0.00 H new ATOM 713 N LYS A 48 -9.539 5.975 7.652 1.00 0.00 N ATOM 714 CA LYS A 48 -9.917 5.125 8.776 1.00 0.00 C ATOM 715 C LYS A 48 -11.424 5.172 9.011 1.00 0.00 C ATOM 716 O LYS A 48 -11.988 4.285 9.650 1.00 0.00 O ATOM 717 CB LYS A 48 -9.179 5.562 10.043 1.00 0.00 C ATOM 718 CG LYS A 48 -9.310 4.579 11.193 1.00 0.00 C ATOM 719 CD LYS A 48 -8.481 5.009 12.392 1.00 0.00 C ATOM 720 CE LYS A 48 -9.276 5.912 13.324 1.00 0.00 C ATOM 721 NZ LYS A 48 -9.156 7.346 12.942 1.00 0.00 N ATOM 0 H LYS A 48 -8.800 6.647 7.861 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.636 4.100 8.535 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.123 5.697 9.810 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.562 6.532 10.360 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.357 4.496 11.484 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.991 3.590 10.865 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.144 4.128 12.938 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.589 5.533 12.050 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.325 5.618 13.307 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.924 5.778 14.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.788 7.890 13.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.504 7.437 12.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.091 7.713 12.674 1.00 0.00 H new ATOM 735 N GLU A 49 -12.068 6.211 8.488 1.00 0.00 N ATOM 736 CA GLU A 49 -13.509 6.371 8.642 1.00 0.00 C ATOM 737 C GLU A 49 -14.249 5.830 7.422 1.00 0.00 C ATOM 738 O GLU A 49 -15.437 5.510 7.494 1.00 0.00 O ATOM 739 CB GLU A 49 -13.861 7.845 8.853 1.00 0.00 C ATOM 740 CG GLU A 49 -13.578 8.343 10.260 1.00 0.00 C ATOM 741 CD GLU A 49 -14.459 7.681 11.301 1.00 0.00 C ATOM 742 OE1 GLU A 49 -15.599 8.151 11.498 1.00 0.00 O ATOM 743 OE2 GLU A 49 -14.009 6.694 11.920 1.00 0.00 O ATOM 0 H GLU A 49 -11.615 6.953 7.955 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.821 5.801 9.517 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.297 8.450 8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.918 7.993 8.630 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.532 8.157 10.504 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.727 9.422 10.296 1.00 0.00 H new ATOM 750 N HIS A 50 -13.540 5.729 6.303 1.00 0.00 N ATOM 751 CA HIS A 50 -14.129 5.227 5.067 1.00 0.00 C ATOM 752 C HIS A 50 -13.840 3.739 4.893 1.00 0.00 C ATOM 753 O HIS A 50 -13.137 3.135 5.702 1.00 0.00 O ATOM 754 CB HIS A 50 -13.591 6.006 3.867 1.00 0.00 C ATOM 755 CG HIS A 50 -14.021 7.441 3.843 1.00 0.00 C ATOM 756 ND1 HIS A 50 -13.870 8.253 2.739 1.00 0.00 N ATOM 757 CD2 HIS A 50 -14.601 8.207 4.796 1.00 0.00 C ATOM 758 CE1 HIS A 50 -14.337 9.458 3.014 1.00 0.00 C ATOM 759 NE2 HIS A 50 -14.787 9.456 4.256 1.00 0.00 N ATOM 0 H HIS A 50 -12.556 5.988 6.226 1.00 0.00 H new ATOM 0 HA HIS A 50 -15.209 5.366 5.126 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.502 5.962 3.874 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -13.924 5.520 2.950 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -14.868 7.894 5.795 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.349 10.301 2.339 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -15.205 10.253 4.736 1.00 0.00 H new ATOM 768 N ASN A 51 -14.388 3.154 3.833 1.00 0.00 N ATOM 769 CA ASN A 51 -14.190 1.736 3.555 1.00 0.00 C ATOM 770 C ASN A 51 -13.365 1.541 2.287 1.00 0.00 C ATOM 771 O ASN A 51 -12.910 2.508 1.676 1.00 0.00 O ATOM 772 CB ASN A 51 -15.540 1.030 3.411 1.00 0.00 C ATOM 773 CG ASN A 51 -16.288 0.939 4.728 1.00 0.00 C ATOM 774 OD1 ASN A 51 -16.995 1.868 5.118 1.00 0.00 O ATOM 775 ND2 ASN A 51 -16.134 -0.184 5.419 1.00 0.00 N ATOM 0 H ASN A 51 -14.972 3.640 3.153 1.00 0.00 H new ATOM 0 HA ASN A 51 -13.646 1.299 4.393 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -16.152 1.566 2.685 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -15.382 0.027 3.016 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -16.612 -0.303 6.312 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -15.538 -0.928 5.057 1.00 0.00 H new ATOM 782 N GLU A 52 -13.176 0.284 1.897 1.00 0.00 N ATOM 783 CA GLU A 52 -12.405 -0.037 0.702 1.00 0.00 C ATOM 784 C GLU A 52 -13.026 0.605 -0.535 1.00 0.00 C ATOM 785 O GLU A 52 -12.319 1.099 -1.414 1.00 0.00 O ATOM 786 CB GLU A 52 -12.319 -1.553 0.515 1.00 0.00 C ATOM 787 CG GLU A 52 -11.473 -2.249 1.568 1.00 0.00 C ATOM 788 CD GLU A 52 -11.952 -1.970 2.979 1.00 0.00 C ATOM 789 OE1 GLU A 52 -13.168 -2.102 3.230 1.00 0.00 O ATOM 790 OE2 GLU A 52 -11.111 -1.619 3.833 1.00 0.00 O ATOM 0 H GLU A 52 -13.546 -0.528 2.391 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.399 0.363 0.832 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -13.326 -1.971 0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.905 -1.766 -0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.489 -3.324 1.389 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.437 -1.925 1.469 1.00 0.00 H new ATOM 797 N PHE A 53 -14.354 0.592 -0.597 1.00 0.00 N ATOM 798 CA PHE A 53 -15.072 1.171 -1.727 1.00 0.00 C ATOM 799 C PHE A 53 -14.505 2.541 -2.088 1.00 0.00 C ATOM 800 O PHE A 53 -13.924 2.722 -3.157 1.00 0.00 O ATOM 801 CB PHE A 53 -16.562 1.293 -1.402 1.00 0.00 C ATOM 802 CG PHE A 53 -17.401 1.696 -2.581 1.00 0.00 C ATOM 803 CD1 PHE A 53 -17.485 3.024 -2.967 1.00 0.00 C ATOM 804 CD2 PHE A 53 -18.106 0.746 -3.303 1.00 0.00 C ATOM 805 CE1 PHE A 53 -18.256 3.398 -4.052 1.00 0.00 C ATOM 806 CE2 PHE A 53 -18.878 1.114 -4.389 1.00 0.00 C ATOM 807 CZ PHE A 53 -18.954 2.442 -4.763 1.00 0.00 C ATOM 0 H PHE A 53 -14.954 0.187 0.122 1.00 0.00 H new ATOM 0 HA PHE A 53 -14.946 0.509 -2.583 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -16.922 0.338 -1.020 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -16.693 2.025 -0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -16.942 3.776 -2.414 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -18.052 -0.293 -3.014 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -18.312 4.437 -4.343 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -19.421 0.364 -4.945 1.00 0.00 H new ATOM 0 HZ PHE A 53 -19.558 2.732 -5.610 1.00 0.00 H new ATOM 817 N ASN A 54 -14.678 3.503 -1.187 1.00 0.00 N ATOM 818 CA ASN A 54 -14.185 4.857 -1.410 1.00 0.00 C ATOM 819 C ASN A 54 -12.685 4.940 -1.145 1.00 0.00 C ATOM 820 O ASN A 54 -12.219 5.826 -0.429 1.00 0.00 O ATOM 821 CB ASN A 54 -14.929 5.847 -0.512 1.00 0.00 C ATOM 822 CG ASN A 54 -15.038 7.225 -1.136 1.00 0.00 C ATOM 823 OD1 ASN A 54 -14.119 8.038 -1.036 1.00 0.00 O ATOM 824 ND2 ASN A 54 -16.165 7.493 -1.785 1.00 0.00 N ATOM 0 H ASN A 54 -15.156 3.370 -0.296 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.366 5.116 -2.453 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.929 5.465 -0.305 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.413 5.924 0.445 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -16.295 8.403 -2.226 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -16.900 6.788 -1.843 1.00 0.00 H new ATOM 831 N SER A 55 -11.934 4.011 -1.729 1.00 0.00 N ATOM 832 CA SER A 55 -10.487 3.977 -1.553 1.00 0.00 C ATOM 833 C SER A 55 -9.773 4.225 -2.879 1.00 0.00 C ATOM 834 O SER A 55 -10.410 4.357 -3.924 1.00 0.00 O ATOM 835 CB SER A 55 -10.054 2.630 -0.972 1.00 0.00 C ATOM 836 OG SER A 55 -8.695 2.661 -0.570 1.00 0.00 O ATOM 0 H SER A 55 -12.304 3.273 -2.328 1.00 0.00 H new ATOM 0 HA SER A 55 -10.211 4.770 -0.857 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.683 2.379 -0.118 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.199 1.846 -1.716 1.00 0.00 H new ATOM 0 HG SER A 55 -8.474 3.555 -0.234 1.00 0.00 H new ATOM 842 N SER A 56 -8.446 4.288 -2.826 1.00 0.00 N ATOM 843 CA SER A 56 -7.645 4.525 -4.021 1.00 0.00 C ATOM 844 C SER A 56 -6.424 3.610 -4.046 1.00 0.00 C ATOM 845 O SER A 56 -5.728 3.458 -3.043 1.00 0.00 O ATOM 846 CB SER A 56 -7.201 5.987 -4.082 1.00 0.00 C ATOM 847 OG SER A 56 -8.315 6.861 -4.016 1.00 0.00 O ATOM 0 H SER A 56 -7.904 4.178 -1.969 1.00 0.00 H new ATOM 0 HA SER A 56 -8.262 4.304 -4.892 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.520 6.198 -3.258 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.649 6.165 -5.005 1.00 0.00 H new ATOM 0 HG SER A 56 -8.005 7.790 -4.055 1.00 0.00 H new ATOM 853 N MET A 57 -6.172 3.002 -5.201 1.00 0.00 N ATOM 854 CA MET A 57 -5.034 2.103 -5.358 1.00 0.00 C ATOM 855 C MET A 57 -3.974 2.720 -6.265 1.00 0.00 C ATOM 856 O MET A 57 -4.295 3.446 -7.205 1.00 0.00 O ATOM 857 CB MET A 57 -5.494 0.760 -5.931 1.00 0.00 C ATOM 858 CG MET A 57 -6.101 -0.168 -4.891 1.00 0.00 C ATOM 859 SD MET A 57 -6.763 -1.681 -5.614 1.00 0.00 S ATOM 860 CE MET A 57 -5.922 -2.921 -4.632 1.00 0.00 C ATOM 0 H MET A 57 -6.740 3.115 -6.041 1.00 0.00 H new ATOM 0 HA MET A 57 -4.594 1.939 -4.375 1.00 0.00 H new ATOM 0 HB2 MET A 57 -6.228 0.941 -6.717 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.644 0.263 -6.398 1.00 0.00 H new ATOM 0 HG2 MET A 57 -5.342 -0.425 -4.152 1.00 0.00 H new ATOM 0 HG3 MET A 57 -6.897 0.356 -4.362 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.463 -3.865 -4.697 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.908 -3.057 -5.009 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.882 -2.596 -3.592 1.00 0.00 H new ATOM 870 N ALA A 58 -2.711 2.426 -5.976 1.00 0.00 N ATOM 871 CA ALA A 58 -1.604 2.950 -6.766 1.00 0.00 C ATOM 872 C ALA A 58 -0.552 1.876 -7.018 1.00 0.00 C ATOM 873 O ALA A 58 -0.105 1.202 -6.090 1.00 0.00 O ATOM 874 CB ALA A 58 -0.980 4.150 -6.070 1.00 0.00 C ATOM 0 H ALA A 58 -2.429 1.827 -5.200 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.998 3.268 -7.731 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.155 4.531 -6.671 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.731 4.931 -5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.607 3.849 -5.091 1.00 0.00 H new ATOM 880 N ARG A 59 -0.161 1.721 -8.279 1.00 0.00 N ATOM 881 CA ARG A 59 0.838 0.727 -8.653 1.00 0.00 C ATOM 882 C ARG A 59 2.244 1.313 -8.574 1.00 0.00 C ATOM 883 O ARG A 59 2.457 2.486 -8.883 1.00 0.00 O ATOM 884 CB ARG A 59 0.568 0.209 -10.067 1.00 0.00 C ATOM 885 CG ARG A 59 -0.380 -0.978 -10.110 1.00 0.00 C ATOM 886 CD ARG A 59 -1.832 -0.529 -10.167 1.00 0.00 C ATOM 887 NE ARG A 59 -2.135 0.189 -11.402 1.00 0.00 N ATOM 888 CZ ARG A 59 -3.368 0.379 -11.858 1.00 0.00 C ATOM 889 NH1 ARG A 59 -4.408 -0.093 -11.184 1.00 0.00 N ATOM 890 NH2 ARG A 59 -3.563 1.043 -12.990 1.00 0.00 N ATOM 0 H ARG A 59 -0.521 2.271 -9.059 1.00 0.00 H new ATOM 0 HA ARG A 59 0.769 -0.103 -7.950 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.152 1.018 -10.668 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.514 -0.076 -10.527 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.154 -1.594 -10.980 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.225 -1.601 -9.229 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.484 -1.399 -10.084 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.047 0.113 -9.313 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.357 0.565 -11.944 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.262 -0.603 -10.313 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.354 0.054 -11.537 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.766 1.408 -13.511 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.510 1.188 -13.339 1.00 0.00 H new ATOM 904 N SER A 60 3.201 0.490 -8.157 1.00 0.00 N ATOM 905 CA SER A 60 4.586 0.927 -8.033 1.00 0.00 C ATOM 906 C SER A 60 5.537 -0.100 -8.641 1.00 0.00 C ATOM 907 O SER A 60 5.316 -1.305 -8.533 1.00 0.00 O ATOM 908 CB SER A 60 4.940 1.159 -6.563 1.00 0.00 C ATOM 909 OG SER A 60 6.163 1.864 -6.439 1.00 0.00 O ATOM 0 H SER A 60 3.042 -0.484 -7.899 1.00 0.00 H new ATOM 0 HA SER A 60 4.695 1.865 -8.578 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.142 1.721 -6.078 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.015 0.201 -6.048 1.00 0.00 H new ATOM 0 HG SER A 60 6.652 1.535 -5.656 1.00 0.00 H new ATOM 915 N GLN A 61 6.594 0.389 -9.282 1.00 0.00 N ATOM 916 CA GLN A 61 7.578 -0.486 -9.908 1.00 0.00 C ATOM 917 C GLN A 61 8.668 -0.879 -8.915 1.00 0.00 C ATOM 918 O GLN A 61 9.774 -1.254 -9.306 1.00 0.00 O ATOM 919 CB GLN A 61 8.203 0.201 -11.123 1.00 0.00 C ATOM 920 CG GLN A 61 7.229 0.411 -12.271 1.00 0.00 C ATOM 921 CD GLN A 61 7.928 0.593 -13.604 1.00 0.00 C ATOM 922 OE1 GLN A 61 9.153 0.705 -13.665 1.00 0.00 O ATOM 923 NE2 GLN A 61 7.152 0.623 -14.681 1.00 0.00 N ATOM 0 H GLN A 61 6.791 1.385 -9.381 1.00 0.00 H new ATOM 0 HA GLN A 61 7.066 -1.391 -10.234 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.605 1.167 -10.817 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.044 -0.397 -11.475 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.556 -0.444 -12.332 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.614 1.287 -12.065 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.141 0.526 -14.584 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.567 0.743 -15.605 1.00 0.00 H new ATOM 932 N THR A 62 8.348 -0.790 -7.628 1.00 0.00 N ATOM 933 CA THR A 62 9.300 -1.134 -6.579 1.00 0.00 C ATOM 934 C THR A 62 8.586 -1.423 -5.263 1.00 0.00 C ATOM 935 O THR A 62 7.375 -1.241 -5.150 1.00 0.00 O ATOM 936 CB THR A 62 10.324 -0.005 -6.357 1.00 0.00 C ATOM 937 OG1 THR A 62 11.013 -0.205 -5.117 1.00 0.00 O ATOM 938 CG2 THR A 62 9.639 1.353 -6.349 1.00 0.00 C ATOM 0 H THR A 62 7.437 -0.483 -7.287 1.00 0.00 H new ATOM 0 HA THR A 62 9.825 -2.030 -6.910 1.00 0.00 H new ATOM 0 HB THR A 62 11.041 -0.028 -7.178 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.919 0.164 -5.183 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.382 2.134 -6.191 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.140 1.515 -7.305 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.903 1.384 -5.546 1.00 0.00 H new ATOM 946 N ASN A 63 9.346 -1.874 -4.270 1.00 0.00 N ATOM 947 CA ASN A 63 8.786 -2.188 -2.961 1.00 0.00 C ATOM 948 C ASN A 63 8.619 -0.924 -2.122 1.00 0.00 C ATOM 949 O ASN A 63 8.309 -0.991 -0.932 1.00 0.00 O ATOM 950 CB ASN A 63 9.682 -3.187 -2.226 1.00 0.00 C ATOM 951 CG ASN A 63 9.298 -4.626 -2.510 1.00 0.00 C ATOM 952 OD1 ASN A 63 9.323 -5.072 -3.657 1.00 0.00 O ATOM 953 ND2 ASN A 63 8.939 -5.361 -1.463 1.00 0.00 N ATOM 0 H ASN A 63 10.351 -2.030 -4.347 1.00 0.00 H new ATOM 0 HA ASN A 63 7.803 -2.634 -3.112 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.719 -3.026 -2.520 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.623 -3.003 -1.153 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.670 -6.336 -1.593 1.00 0.00 H new ATOM 0 HD22 ASN A 63 8.933 -4.950 -0.529 1.00 0.00 H new ATOM 960 N THR A 64 8.828 0.228 -2.751 1.00 0.00 N ATOM 961 CA THR A 64 8.702 1.507 -2.065 1.00 0.00 C ATOM 962 C THR A 64 7.883 2.495 -2.888 1.00 0.00 C ATOM 963 O THR A 64 8.231 2.808 -4.026 1.00 0.00 O ATOM 964 CB THR A 64 10.082 2.124 -1.768 1.00 0.00 C ATOM 965 OG1 THR A 64 9.925 3.352 -1.049 1.00 0.00 O ATOM 966 CG2 THR A 64 10.848 2.379 -3.057 1.00 0.00 C ATOM 0 H THR A 64 9.086 0.301 -3.735 1.00 0.00 H new ATOM 0 HA THR A 64 8.190 1.311 -1.123 1.00 0.00 H new ATOM 0 HB THR A 64 10.649 1.418 -1.160 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.237 3.242 -0.360 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.819 2.815 -2.823 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.991 1.438 -3.588 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.283 3.068 -3.686 1.00 0.00 H new ATOM 974 N ALA A 65 6.793 2.983 -2.305 1.00 0.00 N ATOM 975 CA ALA A 65 5.926 3.938 -2.984 1.00 0.00 C ATOM 976 C ALA A 65 5.334 4.940 -1.998 1.00 0.00 C ATOM 977 O ALA A 65 4.937 4.576 -0.892 1.00 0.00 O ATOM 978 CB ALA A 65 4.816 3.208 -3.727 1.00 0.00 C ATOM 0 H ALA A 65 6.489 2.733 -1.364 1.00 0.00 H new ATOM 0 HA ALA A 65 6.529 4.490 -3.705 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.176 3.934 -4.229 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.253 2.537 -4.466 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.223 2.630 -3.018 1.00 0.00 H new ATOM 984 N ARG A 66 5.280 6.203 -2.407 1.00 0.00 N ATOM 985 CA ARG A 66 4.739 7.258 -1.559 1.00 0.00 C ATOM 986 C ARG A 66 3.288 7.559 -1.924 1.00 0.00 C ATOM 987 O ARG A 66 2.901 7.474 -3.090 1.00 0.00 O ATOM 988 CB ARG A 66 5.582 8.528 -1.687 1.00 0.00 C ATOM 989 CG ARG A 66 4.916 9.763 -1.103 1.00 0.00 C ATOM 990 CD ARG A 66 5.568 11.040 -1.609 1.00 0.00 C ATOM 991 NE ARG A 66 4.936 11.532 -2.830 1.00 0.00 N ATOM 992 CZ ARG A 66 5.540 12.337 -3.697 1.00 0.00 C ATOM 993 NH1 ARG A 66 6.784 12.738 -3.479 1.00 0.00 N ATOM 994 NH2 ARG A 66 4.899 12.741 -4.786 1.00 0.00 N ATOM 0 H ARG A 66 5.604 6.521 -3.320 1.00 0.00 H new ATOM 0 HA ARG A 66 4.772 6.911 -0.526 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.538 8.371 -1.188 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.798 8.706 -2.740 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.858 9.765 -1.365 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.975 9.729 -0.015 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.510 11.807 -0.837 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.626 10.857 -1.797 1.00 0.00 H new ATOM 0 HE ARG A 66 3.978 11.242 -3.028 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.281 12.429 -2.644 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.245 13.356 -4.147 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.942 12.433 -4.958 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.363 13.359 -5.451 1.00 0.00 H new ATOM 1008 N ILE A 67 2.491 7.910 -0.920 1.00 0.00 N ATOM 1009 CA ILE A 67 1.084 8.224 -1.136 1.00 0.00 C ATOM 1010 C ILE A 67 0.823 9.717 -0.974 1.00 0.00 C ATOM 1011 O ILE A 67 1.163 10.310 0.050 1.00 0.00 O ATOM 1012 CB ILE A 67 0.178 7.447 -0.162 1.00 0.00 C ATOM 1013 CG1 ILE A 67 0.710 6.026 0.040 1.00 0.00 C ATOM 1014 CG2 ILE A 67 -1.252 7.414 -0.681 1.00 0.00 C ATOM 1015 CD1 ILE A 67 0.441 5.108 -1.131 1.00 0.00 C ATOM 0 H ILE A 67 2.796 7.984 0.051 1.00 0.00 H new ATOM 0 HA ILE A 67 0.847 7.925 -2.157 1.00 0.00 H new ATOM 0 HB ILE A 67 0.183 7.957 0.801 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.785 6.071 0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.257 5.601 0.936 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.880 6.862 0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.627 8.433 -0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.275 6.924 -1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.846 4.119 -0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.634 5.033 -1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.917 5.510 -2.025 1.00 0.00 H new ATOM 1027 N ASP A 68 0.215 10.319 -1.991 1.00 0.00 N ATOM 1028 CA ASP A 68 -0.095 11.744 -1.961 1.00 0.00 C ATOM 1029 C ASP A 68 -1.593 11.977 -2.129 1.00 0.00 C ATOM 1030 O ASP A 68 -2.278 11.216 -2.812 1.00 0.00 O ATOM 1031 CB ASP A 68 0.675 12.479 -3.059 1.00 0.00 C ATOM 1032 CG ASP A 68 0.243 12.056 -4.450 1.00 0.00 C ATOM 1033 OD1 ASP A 68 -0.107 10.871 -4.628 1.00 0.00 O ATOM 1034 OD2 ASP A 68 0.257 12.911 -5.361 1.00 0.00 O ATOM 0 H ASP A 68 -0.073 9.843 -2.846 1.00 0.00 H new ATOM 0 HA ASP A 68 0.209 12.137 -0.991 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.527 13.553 -2.946 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.742 12.290 -2.940 1.00 0.00 H new ATOM 1039 N GLY A 69 -2.097 13.035 -1.500 1.00 0.00 N ATOM 1040 CA GLY A 69 -3.511 13.349 -1.592 1.00 0.00 C ATOM 1041 C GLY A 69 -4.265 13.000 -0.324 1.00 0.00 C ATOM 1042 O GLY A 69 -5.317 12.361 -0.374 1.00 0.00 O ATOM 0 H GLY A 69 -1.551 13.680 -0.929 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.631 14.412 -1.802 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.947 12.807 -2.431 1.00 0.00 H new ATOM 1046 N LEU A 70 -3.728 13.420 0.816 1.00 0.00 N ATOM 1047 CA LEU A 70 -4.357 13.147 2.104 1.00 0.00 C ATOM 1048 C LEU A 70 -4.431 14.412 2.953 1.00 0.00 C ATOM 1049 O LEU A 70 -3.766 15.406 2.662 1.00 0.00 O ATOM 1050 CB LEU A 70 -3.582 12.061 2.853 1.00 0.00 C ATOM 1051 CG LEU A 70 -3.090 10.885 2.009 1.00 0.00 C ATOM 1052 CD1 LEU A 70 -2.173 9.988 2.826 1.00 0.00 C ATOM 1053 CD2 LEU A 70 -4.268 10.091 1.462 1.00 0.00 C ATOM 0 H LEU A 70 -2.859 13.951 0.875 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.372 12.797 1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.720 12.524 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.218 11.671 3.648 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.522 11.280 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.833 9.157 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.312 10.562 3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.716 9.601 3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.899 9.258 0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.864 9.707 2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.886 10.739 0.840 1.00 0.00 H new ATOM 1065 N ARG A 71 -5.242 14.366 4.004 1.00 0.00 N ATOM 1066 CA ARG A 71 -5.402 15.509 4.896 1.00 0.00 C ATOM 1067 C ARG A 71 -4.400 15.445 6.046 1.00 0.00 C ATOM 1068 O ARG A 71 -4.067 14.374 6.553 1.00 0.00 O ATOM 1069 CB ARG A 71 -6.827 15.555 5.450 1.00 0.00 C ATOM 1070 CG ARG A 71 -7.806 16.292 4.550 1.00 0.00 C ATOM 1071 CD ARG A 71 -9.123 16.561 5.262 1.00 0.00 C ATOM 1072 NE ARG A 71 -10.019 15.409 5.210 1.00 0.00 N ATOM 1073 CZ ARG A 71 -11.303 15.461 5.543 1.00 0.00 C ATOM 1074 NH1 ARG A 71 -11.840 16.603 5.951 1.00 0.00 N ATOM 1075 NH2 ARG A 71 -12.054 14.370 5.469 1.00 0.00 N ATOM 0 H ARG A 71 -5.799 13.550 4.259 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.213 16.416 4.321 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.182 14.536 5.601 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.812 16.036 6.428 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.366 17.236 4.228 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.990 15.703 3.652 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.926 16.820 6.302 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.612 17.422 4.806 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.637 14.515 4.901 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.266 17.444 6.010 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.827 16.640 6.206 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.645 13.490 5.156 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.040 14.412 5.725 1.00 0.00 H new ATOM 1089 N PRO A 72 -3.908 16.619 6.468 1.00 0.00 N ATOM 1090 CA PRO A 72 -2.937 16.723 7.561 1.00 0.00 C ATOM 1091 C PRO A 72 -3.551 16.383 8.915 1.00 0.00 C ATOM 1092 O PRO A 72 -4.594 16.919 9.287 1.00 0.00 O ATOM 1093 CB PRO A 72 -2.513 18.194 7.521 1.00 0.00 C ATOM 1094 CG PRO A 72 -3.665 18.902 6.895 1.00 0.00 C ATOM 1095 CD PRO A 72 -4.260 17.935 5.909 1.00 0.00 C ATOM 0 HA PRO A 72 -2.110 16.023 7.439 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.310 18.575 8.522 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.602 18.328 6.938 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.399 19.194 7.647 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.338 19.815 6.397 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.339 18.060 5.825 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.844 18.072 4.911 1.00 0.00 H new ATOM 1103 N GLY A 73 -2.895 15.489 9.649 1.00 0.00 N ATOM 1104 CA GLY A 73 -3.392 15.093 10.954 1.00 0.00 C ATOM 1105 C GLY A 73 -4.523 14.089 10.864 1.00 0.00 C ATOM 1106 O GLY A 73 -5.521 14.202 11.575 1.00 0.00 O ATOM 0 H GLY A 73 -2.029 15.032 9.363 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.576 14.665 11.535 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.737 15.976 11.491 1.00 0.00 H new ATOM 1110 N MET A 74 -4.368 13.103 9.986 1.00 0.00 N ATOM 1111 CA MET A 74 -5.386 12.074 9.805 1.00 0.00 C ATOM 1112 C MET A 74 -4.752 10.689 9.736 1.00 0.00 C ATOM 1113 O MET A 74 -3.539 10.557 9.574 1.00 0.00 O ATOM 1114 CB MET A 74 -6.193 12.343 8.533 1.00 0.00 C ATOM 1115 CG MET A 74 -7.300 13.368 8.721 1.00 0.00 C ATOM 1116 SD MET A 74 -8.459 12.909 10.024 1.00 0.00 S ATOM 1117 CE MET A 74 -9.360 11.584 9.223 1.00 0.00 C ATOM 0 H MET A 74 -3.548 12.995 9.389 1.00 0.00 H new ATOM 0 HA MET A 74 -6.056 12.105 10.664 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.518 12.689 7.750 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.631 11.407 8.185 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.857 14.335 8.958 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.843 13.487 7.783 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.195 11.278 9.854 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.740 11.931 8.262 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.695 10.735 9.065 1.00 0.00 H new ATOM 1127 N VAL A 75 -5.581 9.657 9.861 1.00 0.00 N ATOM 1128 CA VAL A 75 -5.101 8.281 9.811 1.00 0.00 C ATOM 1129 C VAL A 75 -5.658 7.548 8.596 1.00 0.00 C ATOM 1130 O VAL A 75 -6.843 7.658 8.280 1.00 0.00 O ATOM 1131 CB VAL A 75 -5.487 7.506 11.086 1.00 0.00 C ATOM 1132 CG1 VAL A 75 -4.947 6.085 11.031 1.00 0.00 C ATOM 1133 CG2 VAL A 75 -4.981 8.231 12.323 1.00 0.00 C ATOM 0 H VAL A 75 -6.588 9.748 9.998 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.015 8.327 9.737 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.574 7.453 11.144 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.229 5.553 11.940 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.364 5.571 10.165 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.860 6.112 10.949 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.262 7.670 13.214 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.895 8.317 12.276 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.422 9.227 12.367 1.00 0.00 H new ATOM 1143 N TYR A 76 -4.796 6.799 7.918 1.00 0.00 N ATOM 1144 CA TYR A 76 -5.201 6.049 6.735 1.00 0.00 C ATOM 1145 C TYR A 76 -4.672 4.618 6.790 1.00 0.00 C ATOM 1146 O TYR A 76 -3.536 4.379 7.199 1.00 0.00 O ATOM 1147 CB TYR A 76 -4.697 6.742 5.468 1.00 0.00 C ATOM 1148 CG TYR A 76 -5.287 8.117 5.255 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -4.823 9.213 5.971 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -6.309 8.321 4.336 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -5.360 10.471 5.780 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -6.852 9.576 4.137 1.00 0.00 C ATOM 1153 CZ TYR A 76 -6.374 10.648 4.861 1.00 0.00 C ATOM 1154 OH TYR A 76 -6.911 11.900 4.667 1.00 0.00 O ATOM 0 H TYR A 76 -3.812 6.695 8.167 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.290 6.015 6.713 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.611 6.825 5.517 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.930 6.118 4.605 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -4.028 9.079 6.690 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.686 7.484 3.767 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.988 11.312 6.347 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.646 9.717 3.419 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.614 11.853 3.986 1.00 0.00 H new ATOM 1164 N VAL A 77 -5.506 3.670 6.375 1.00 0.00 N ATOM 1165 CA VAL A 77 -5.124 2.263 6.374 1.00 0.00 C ATOM 1166 C VAL A 77 -4.529 1.855 5.031 1.00 0.00 C ATOM 1167 O VAL A 77 -5.254 1.617 4.065 1.00 0.00 O ATOM 1168 CB VAL A 77 -6.328 1.355 6.687 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -5.906 -0.107 6.697 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -6.959 1.745 8.015 1.00 0.00 C ATOM 0 H VAL A 77 -6.451 3.851 6.035 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.372 2.139 7.153 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.074 1.488 5.904 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.770 -0.733 6.920 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.505 -0.377 5.720 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.141 -0.260 7.458 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.808 1.093 8.220 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.222 1.643 8.812 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.299 2.779 7.966 1.00 0.00 H new ATOM 1180 N VAL A 78 -3.203 1.777 4.977 1.00 0.00 N ATOM 1181 CA VAL A 78 -2.509 1.396 3.752 1.00 0.00 C ATOM 1182 C VAL A 78 -2.123 -0.078 3.775 1.00 0.00 C ATOM 1183 O VAL A 78 -1.714 -0.606 4.809 1.00 0.00 O ATOM 1184 CB VAL A 78 -1.242 2.245 3.539 1.00 0.00 C ATOM 1185 CG1 VAL A 78 -0.573 1.883 2.221 1.00 0.00 C ATOM 1186 CG2 VAL A 78 -1.579 3.727 3.586 1.00 0.00 C ATOM 0 H VAL A 78 -2.588 1.972 5.767 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.199 1.574 2.928 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.542 2.030 4.346 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.321 2.493 2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.295 0.829 2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.265 2.068 1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.672 4.311 3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.298 3.962 2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.009 3.972 4.557 1.00 0.00 H new ATOM 1196 N GLN A 79 -2.255 -0.737 2.629 1.00 0.00 N ATOM 1197 CA GLN A 79 -1.919 -2.151 2.517 1.00 0.00 C ATOM 1198 C GLN A 79 -1.269 -2.453 1.171 1.00 0.00 C ATOM 1199 O GLN A 79 -1.737 -1.996 0.128 1.00 0.00 O ATOM 1200 CB GLN A 79 -3.172 -3.010 2.695 1.00 0.00 C ATOM 1201 CG GLN A 79 -3.845 -2.833 4.047 1.00 0.00 C ATOM 1202 CD GLN A 79 -4.957 -3.836 4.282 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -6.109 -3.461 4.502 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -4.618 -5.119 4.236 1.00 0.00 N ATOM 0 H GLN A 79 -2.592 -0.314 1.764 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.206 -2.392 3.306 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.885 -2.764 1.909 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.905 -4.059 2.566 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.099 -2.932 4.835 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.251 -1.824 4.117 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.651 -5.385 4.050 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.325 -5.839 4.386 1.00 0.00 H new ATOM 1213 N VAL A 80 -0.187 -3.224 1.202 1.00 0.00 N ATOM 1214 CA VAL A 80 0.528 -3.587 -0.016 1.00 0.00 C ATOM 1215 C VAL A 80 0.398 -5.078 -0.306 1.00 0.00 C ATOM 1216 O VAL A 80 0.271 -5.890 0.610 1.00 0.00 O ATOM 1217 CB VAL A 80 2.021 -3.222 0.079 1.00 0.00 C ATOM 1218 CG1 VAL A 80 2.699 -4.029 1.177 1.00 0.00 C ATOM 1219 CG2 VAL A 80 2.710 -3.444 -1.259 1.00 0.00 C ATOM 0 H VAL A 80 0.214 -3.609 2.057 1.00 0.00 H new ATOM 0 HA VAL A 80 0.075 -3.021 -0.829 1.00 0.00 H new ATOM 0 HB VAL A 80 2.103 -2.165 0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.753 -3.758 1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.221 -3.816 2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.608 -5.092 0.956 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.764 -3.181 -1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.619 -4.492 -1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.241 -2.818 -2.018 1.00 0.00 H new ATOM 1229 N ARG A 81 0.430 -5.431 -1.587 1.00 0.00 N ATOM 1230 CA ARG A 81 0.315 -6.825 -1.998 1.00 0.00 C ATOM 1231 C ARG A 81 1.289 -7.141 -3.129 1.00 0.00 C ATOM 1232 O ARG A 81 1.850 -6.237 -3.749 1.00 0.00 O ATOM 1233 CB ARG A 81 -1.116 -7.131 -2.444 1.00 0.00 C ATOM 1234 CG ARG A 81 -1.565 -6.322 -3.649 1.00 0.00 C ATOM 1235 CD ARG A 81 -2.693 -7.015 -4.397 1.00 0.00 C ATOM 1236 NE ARG A 81 -3.437 -6.089 -5.246 1.00 0.00 N ATOM 1237 CZ ARG A 81 -4.689 -6.296 -5.639 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -5.334 -7.391 -5.260 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -5.299 -5.406 -6.412 1.00 0.00 N ATOM 0 H ARG A 81 0.535 -4.771 -2.358 1.00 0.00 H new ATOM 0 HA ARG A 81 0.564 -7.451 -1.141 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.195 -8.192 -2.680 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.795 -6.938 -1.614 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.895 -5.335 -3.324 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.721 -6.170 -4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.282 -7.818 -5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.373 -7.476 -3.681 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.970 -5.236 -5.554 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.869 -8.077 -4.665 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.295 -7.547 -5.563 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.806 -4.562 -6.705 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.260 -5.566 -6.713 1.00 0.00 H new ATOM 1253 N ALA A 82 1.487 -8.429 -3.392 1.00 0.00 N ATOM 1254 CA ALA A 82 2.392 -8.863 -4.448 1.00 0.00 C ATOM 1255 C ALA A 82 1.618 -9.385 -5.654 1.00 0.00 C ATOM 1256 O ALA A 82 0.824 -10.319 -5.537 1.00 0.00 O ATOM 1257 CB ALA A 82 3.340 -9.931 -3.925 1.00 0.00 C ATOM 0 H ALA A 82 1.032 -9.190 -2.887 1.00 0.00 H new ATOM 0 HA ALA A 82 2.976 -8.000 -4.769 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.010 -10.246 -4.725 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.925 -9.525 -3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.765 -10.788 -3.575 1.00 0.00 H new ATOM 1263 N ARG A 83 1.854 -8.777 -6.812 1.00 0.00 N ATOM 1264 CA ARG A 83 1.177 -9.179 -8.038 1.00 0.00 C ATOM 1265 C ARG A 83 2.157 -9.823 -9.014 1.00 0.00 C ATOM 1266 O ARG A 83 3.253 -9.309 -9.241 1.00 0.00 O ATOM 1267 CB ARG A 83 0.505 -7.972 -8.696 1.00 0.00 C ATOM 1268 CG ARG A 83 -0.246 -8.313 -9.972 1.00 0.00 C ATOM 1269 CD ARG A 83 -0.892 -7.080 -10.584 1.00 0.00 C ATOM 1270 NE ARG A 83 -0.986 -7.176 -12.038 1.00 0.00 N ATOM 1271 CZ ARG A 83 -1.943 -7.845 -12.671 1.00 0.00 C ATOM 1272 NH1 ARG A 83 -2.885 -8.474 -11.980 1.00 0.00 N ATOM 1273 NH2 ARG A 83 -1.961 -7.886 -13.997 1.00 0.00 N ATOM 0 H ARG A 83 2.509 -8.004 -6.926 1.00 0.00 H new ATOM 0 HA ARG A 83 0.414 -9.913 -7.777 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.188 -7.521 -7.986 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.264 -7.222 -8.920 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.440 -8.760 -10.691 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.012 -9.058 -9.757 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.889 -6.947 -10.164 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.313 -6.196 -10.316 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.277 -6.703 -12.599 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.875 -8.444 -10.960 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.619 -8.987 -12.468 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.239 -7.403 -14.532 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.697 -8.400 -14.481 1.00 0.00 H new ATOM 1287 N THR A 84 1.756 -10.953 -9.589 1.00 0.00 N ATOM 1288 CA THR A 84 2.599 -11.668 -10.539 1.00 0.00 C ATOM 1289 C THR A 84 1.805 -12.092 -11.769 1.00 0.00 C ATOM 1290 O THR A 84 0.575 -12.142 -11.739 1.00 0.00 O ATOM 1291 CB THR A 84 3.235 -12.916 -9.897 1.00 0.00 C ATOM 1292 OG1 THR A 84 2.211 -13.803 -9.432 1.00 0.00 O ATOM 1293 CG2 THR A 84 4.141 -12.527 -8.739 1.00 0.00 C ATOM 0 H THR A 84 0.852 -11.392 -9.413 1.00 0.00 H new ATOM 0 HA THR A 84 3.389 -10.980 -10.840 1.00 0.00 H new ATOM 0 HB THR A 84 3.836 -13.421 -10.653 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.623 -14.595 -9.027 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.578 -13.425 -8.302 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.936 -11.876 -9.102 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.559 -12.002 -7.982 1.00 0.00 H new ATOM 1301 N VAL A 85 2.515 -12.397 -12.850 1.00 0.00 N ATOM 1302 CA VAL A 85 1.876 -12.819 -14.091 1.00 0.00 C ATOM 1303 C VAL A 85 0.743 -13.802 -13.819 1.00 0.00 C ATOM 1304 O VAL A 85 -0.173 -13.948 -14.627 1.00 0.00 O ATOM 1305 CB VAL A 85 2.888 -13.472 -15.051 1.00 0.00 C ATOM 1306 CG1 VAL A 85 4.009 -12.500 -15.386 1.00 0.00 C ATOM 1307 CG2 VAL A 85 3.445 -14.752 -14.446 1.00 0.00 C ATOM 0 H VAL A 85 3.533 -12.360 -12.892 1.00 0.00 H new ATOM 0 HA VAL A 85 1.471 -11.922 -14.559 1.00 0.00 H new ATOM 0 HB VAL A 85 2.372 -13.728 -15.977 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.715 -12.978 -16.065 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.591 -11.613 -15.862 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.526 -12.211 -14.471 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.158 -15.201 -15.137 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.946 -14.522 -13.506 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.630 -15.452 -14.261 1.00 0.00 H new ATOM 1317 N ALA A 86 0.812 -14.474 -12.674 1.00 0.00 N ATOM 1318 CA ALA A 86 -0.209 -15.442 -12.294 1.00 0.00 C ATOM 1319 C ALA A 86 -1.480 -14.743 -11.823 1.00 0.00 C ATOM 1320 O ALA A 86 -2.580 -15.065 -12.270 1.00 0.00 O ATOM 1321 CB ALA A 86 0.320 -16.367 -11.208 1.00 0.00 C ATOM 0 H ALA A 86 1.564 -14.365 -11.994 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.457 -16.036 -13.174 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.453 -17.085 -10.933 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.195 -16.900 -11.579 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.597 -15.779 -10.333 1.00 0.00 H new ATOM 1327 N GLY A 87 -1.321 -13.783 -10.916 1.00 0.00 N ATOM 1328 CA GLY A 87 -2.464 -13.054 -10.399 1.00 0.00 C ATOM 1329 C GLY A 87 -2.101 -12.156 -9.234 1.00 0.00 C ATOM 1330 O GLY A 87 -0.931 -11.826 -9.037 1.00 0.00 O ATOM 0 H GLY A 87 -0.421 -13.498 -10.530 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.897 -12.451 -11.197 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.230 -13.762 -10.083 1.00 0.00 H new ATOM 1334 N TYR A 88 -3.104 -11.757 -8.460 1.00 0.00 N ATOM 1335 CA TYR A 88 -2.885 -10.888 -7.311 1.00 0.00 C ATOM 1336 C TYR A 88 -2.571 -11.705 -6.061 1.00 0.00 C ATOM 1337 O TYR A 88 -3.129 -12.781 -5.853 1.00 0.00 O ATOM 1338 CB TYR A 88 -4.115 -10.012 -7.065 1.00 0.00 C ATOM 1339 CG TYR A 88 -4.239 -8.858 -8.034 1.00 0.00 C ATOM 1340 CD1 TYR A 88 -3.563 -7.664 -7.814 1.00 0.00 C ATOM 1341 CD2 TYR A 88 -5.033 -8.961 -9.170 1.00 0.00 C ATOM 1342 CE1 TYR A 88 -3.675 -6.607 -8.696 1.00 0.00 C ATOM 1343 CE2 TYR A 88 -5.149 -7.910 -10.058 1.00 0.00 C ATOM 1344 CZ TYR A 88 -4.469 -6.734 -9.816 1.00 0.00 C ATOM 1345 OH TYR A 88 -4.582 -5.684 -10.698 1.00 0.00 O ATOM 0 H TYR A 88 -4.078 -12.022 -8.608 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.030 -10.249 -7.530 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.010 -10.630 -7.132 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.074 -9.620 -6.049 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.939 -7.561 -6.938 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -5.569 -9.879 -9.362 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.143 -5.686 -8.509 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.769 -8.008 -10.937 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.178 -5.937 -11.434 1.00 0.00 H new ATOM 1355 N GLY A 89 -1.672 -11.184 -5.232 1.00 0.00 N ATOM 1356 CA GLY A 89 -1.298 -11.877 -4.012 1.00 0.00 C ATOM 1357 C GLY A 89 -1.998 -11.318 -2.790 1.00 0.00 C ATOM 1358 O GLY A 89 -2.606 -10.248 -2.847 1.00 0.00 O ATOM 0 H GLY A 89 -1.196 -10.295 -5.383 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.537 -12.936 -4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.219 -11.806 -3.873 1.00 0.00 H new ATOM 1362 N LYS A 90 -1.916 -12.043 -1.679 1.00 0.00 N ATOM 1363 CA LYS A 90 -2.547 -11.614 -0.437 1.00 0.00 C ATOM 1364 C LYS A 90 -1.932 -10.311 0.064 1.00 0.00 C ATOM 1365 O LYS A 90 -0.777 -10.003 -0.233 1.00 0.00 O ATOM 1366 CB LYS A 90 -2.406 -12.701 0.632 1.00 0.00 C ATOM 1367 CG LYS A 90 -3.196 -13.962 0.324 1.00 0.00 C ATOM 1368 CD LYS A 90 -2.818 -15.098 1.260 1.00 0.00 C ATOM 1369 CE LYS A 90 -1.457 -15.680 0.908 1.00 0.00 C ATOM 1370 NZ LYS A 90 -1.050 -16.752 1.859 1.00 0.00 N ATOM 0 H LYS A 90 -1.418 -12.931 -1.614 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.605 -11.443 -0.636 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.352 -12.959 0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.735 -12.301 1.591 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.263 -13.755 0.413 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.015 -14.263 -0.708 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.805 -14.735 2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.574 -15.881 1.208 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.485 -16.084 -0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.710 -14.886 0.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.118 -17.123 1.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.998 -16.361 2.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.749 -17.521 1.835 1.00 0.00 H new ATOM 1384 N PHE A 91 -2.709 -9.551 0.828 1.00 0.00 N ATOM 1385 CA PHE A 91 -2.240 -8.281 1.371 1.00 0.00 C ATOM 1386 C PHE A 91 -1.401 -8.503 2.626 1.00 0.00 C ATOM 1387 O PHE A 91 -1.504 -9.542 3.278 1.00 0.00 O ATOM 1388 CB PHE A 91 -3.427 -7.370 1.691 1.00 0.00 C ATOM 1389 CG PHE A 91 -3.953 -6.628 0.496 1.00 0.00 C ATOM 1390 CD1 PHE A 91 -3.247 -5.563 -0.041 1.00 0.00 C ATOM 1391 CD2 PHE A 91 -5.153 -6.995 -0.091 1.00 0.00 C ATOM 1392 CE1 PHE A 91 -3.729 -4.878 -1.140 1.00 0.00 C ATOM 1393 CE2 PHE A 91 -5.640 -6.314 -1.190 1.00 0.00 C ATOM 1394 CZ PHE A 91 -4.927 -5.255 -1.716 1.00 0.00 C ATOM 0 H PHE A 91 -3.666 -9.792 1.085 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.615 -7.801 0.618 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.230 -7.970 2.118 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.127 -6.650 2.453 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.309 -5.265 0.405 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.714 -7.823 0.315 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.170 -4.049 -1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.578 -6.610 -1.637 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.305 -4.722 -2.576 1.00 0.00 H new ATOM 1404 N SER A 92 -0.571 -7.519 2.957 1.00 0.00 N ATOM 1405 CA SER A 92 0.290 -7.608 4.131 1.00 0.00 C ATOM 1406 C SER A 92 -0.461 -7.181 5.388 1.00 0.00 C ATOM 1407 O SER A 92 -1.521 -6.561 5.312 1.00 0.00 O ATOM 1408 CB SER A 92 1.533 -6.736 3.945 1.00 0.00 C ATOM 1409 OG SER A 92 1.180 -5.376 3.764 1.00 0.00 O ATOM 0 H SER A 92 -0.476 -6.651 2.429 1.00 0.00 H new ATOM 0 HA SER A 92 0.598 -8.647 4.248 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.183 -6.834 4.815 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.100 -7.085 3.082 1.00 0.00 H new ATOM 0 HG SER A 92 0.985 -4.970 4.634 1.00 0.00 H new ATOM 1415 N GLY A 93 0.097 -7.518 6.547 1.00 0.00 N ATOM 1416 CA GLY A 93 -0.532 -7.162 7.805 1.00 0.00 C ATOM 1417 C GLY A 93 -1.090 -5.753 7.796 1.00 0.00 C ATOM 1418 O GLY A 93 -0.371 -4.794 7.514 1.00 0.00 O ATOM 0 H GLY A 93 0.974 -8.031 6.637 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.336 -7.866 8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.196 -7.256 8.611 1.00 0.00 H new ATOM 1422 N LYS A 94 -2.376 -5.625 8.105 1.00 0.00 N ATOM 1423 CA LYS A 94 -3.031 -4.323 8.132 1.00 0.00 C ATOM 1424 C LYS A 94 -2.209 -3.316 8.930 1.00 0.00 C ATOM 1425 O LYS A 94 -1.782 -3.599 10.049 1.00 0.00 O ATOM 1426 CB LYS A 94 -4.432 -4.446 8.735 1.00 0.00 C ATOM 1427 CG LYS A 94 -5.514 -4.733 7.708 1.00 0.00 C ATOM 1428 CD LYS A 94 -6.887 -4.819 8.353 1.00 0.00 C ATOM 1429 CE LYS A 94 -7.996 -4.596 7.336 1.00 0.00 C ATOM 1430 NZ LYS A 94 -9.304 -5.119 7.818 1.00 0.00 N ATOM 0 H LYS A 94 -2.986 -6.408 8.340 1.00 0.00 H new ATOM 0 HA LYS A 94 -3.114 -3.965 7.106 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.429 -5.242 9.479 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.676 -3.521 9.258 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.515 -3.949 6.951 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.292 -5.670 7.197 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.011 -5.797 8.819 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.965 -4.076 9.146 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.086 -3.530 7.125 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.733 -5.085 6.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.033 -4.948 7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.225 -6.141 7.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.568 -4.634 8.699 1.00 0.00 H new ATOM 1444 N MET A 95 -1.993 -2.141 8.348 1.00 0.00 N ATOM 1445 CA MET A 95 -1.225 -1.092 9.008 1.00 0.00 C ATOM 1446 C MET A 95 -1.939 0.252 8.904 1.00 0.00 C ATOM 1447 O MET A 95 -2.658 0.510 7.938 1.00 0.00 O ATOM 1448 CB MET A 95 0.172 -0.990 8.392 1.00 0.00 C ATOM 1449 CG MET A 95 1.227 -0.477 9.359 1.00 0.00 C ATOM 1450 SD MET A 95 1.478 -1.582 10.762 1.00 0.00 S ATOM 1451 CE MET A 95 3.019 -2.370 10.300 1.00 0.00 C ATOM 0 H MET A 95 -2.339 -1.892 7.421 1.00 0.00 H new ATOM 0 HA MET A 95 -1.132 -1.353 10.062 1.00 0.00 H new ATOM 0 HB2 MET A 95 0.472 -1.973 8.028 1.00 0.00 H new ATOM 0 HB3 MET A 95 0.131 -0.328 7.527 1.00 0.00 H new ATOM 0 HG2 MET A 95 2.170 -0.350 8.828 1.00 0.00 H new ATOM 0 HG3 MET A 95 0.932 0.507 9.724 1.00 0.00 H new ATOM 0 HE1 MET A 95 3.308 -3.084 11.071 1.00 0.00 H new ATOM 0 HE2 MET A 95 2.891 -2.892 9.352 1.00 0.00 H new ATOM 0 HE3 MET A 95 3.797 -1.614 10.196 1.00 0.00 H new ATOM 1461 N CYS A 96 -1.737 1.103 9.904 1.00 0.00 N ATOM 1462 CA CYS A 96 -2.363 2.420 9.925 1.00 0.00 C ATOM 1463 C CYS A 96 -1.310 3.521 9.993 1.00 0.00 C ATOM 1464 O CYS A 96 -0.620 3.674 11.001 1.00 0.00 O ATOM 1465 CB CYS A 96 -3.316 2.535 11.116 1.00 0.00 C ATOM 1466 SG CYS A 96 -4.509 1.182 11.240 1.00 0.00 S ATOM 0 H CYS A 96 -1.145 0.904 10.710 1.00 0.00 H new ATOM 0 HA CYS A 96 -2.930 2.541 9.002 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.730 2.574 12.034 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -3.858 3.478 11.044 1.00 0.00 H new ATOM 0 HG CYS A 96 -5.269 1.367 12.279 1.00 0.00 H new ATOM 1472 N PHE A 97 -1.191 4.286 8.913 1.00 0.00 N ATOM 1473 CA PHE A 97 -0.220 5.372 8.848 1.00 0.00 C ATOM 1474 C PHE A 97 -0.920 6.727 8.834 1.00 0.00 C ATOM 1475 O PHE A 97 -1.758 6.995 7.974 1.00 0.00 O ATOM 1476 CB PHE A 97 0.658 5.226 7.603 1.00 0.00 C ATOM 1477 CG PHE A 97 1.290 3.870 7.471 1.00 0.00 C ATOM 1478 CD1 PHE A 97 2.400 3.531 8.228 1.00 0.00 C ATOM 1479 CD2 PHE A 97 0.775 2.934 6.589 1.00 0.00 C ATOM 1480 CE1 PHE A 97 2.984 2.284 8.109 1.00 0.00 C ATOM 1481 CE2 PHE A 97 1.354 1.685 6.466 1.00 0.00 C ATOM 1482 CZ PHE A 97 2.460 1.360 7.226 1.00 0.00 C ATOM 0 H PHE A 97 -1.755 4.174 8.071 1.00 0.00 H new ATOM 0 HA PHE A 97 0.409 5.317 9.736 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.055 5.425 6.717 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.442 5.982 7.630 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.814 4.250 8.919 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -0.089 3.183 5.991 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.849 2.032 8.705 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.942 0.964 5.776 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.915 0.385 7.130 1.00 0.00 H new ATOM 1492 N GLN A 98 -0.570 7.577 9.794 1.00 0.00 N ATOM 1493 CA GLN A 98 -1.165 8.904 9.893 1.00 0.00 C ATOM 1494 C GLN A 98 -0.203 9.973 9.384 1.00 0.00 C ATOM 1495 O GLN A 98 1.015 9.832 9.497 1.00 0.00 O ATOM 1496 CB GLN A 98 -1.558 9.204 11.341 1.00 0.00 C ATOM 1497 CG GLN A 98 -0.386 9.172 12.308 1.00 0.00 C ATOM 1498 CD GLN A 98 -0.783 9.556 13.720 1.00 0.00 C ATOM 1499 OE1 GLN A 98 -0.684 8.751 14.646 1.00 0.00 O ATOM 1500 NE2 GLN A 98 -1.236 10.792 13.892 1.00 0.00 N ATOM 0 H GLN A 98 0.122 7.370 10.514 1.00 0.00 H new ATOM 0 HA GLN A 98 -2.059 8.920 9.270 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -2.028 10.186 11.385 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.305 8.479 11.664 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.046 8.171 12.316 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.390 9.852 11.955 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.302 11.427 13.096 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.518 11.107 14.820 1.00 0.00 H new ATOM 1509 N THR A 99 -0.758 11.042 8.821 1.00 0.00 N ATOM 1510 CA THR A 99 0.051 12.133 8.293 1.00 0.00 C ATOM 1511 C THR A 99 0.408 13.133 9.387 1.00 0.00 C ATOM 1512 O THR A 99 0.026 12.963 10.546 1.00 0.00 O ATOM 1513 CB THR A 99 -0.679 12.873 7.156 1.00 0.00 C ATOM 1514 OG1 THR A 99 -1.916 13.411 7.635 1.00 0.00 O ATOM 1515 CG2 THR A 99 -0.946 11.938 5.986 1.00 0.00 C ATOM 0 H THR A 99 -1.764 11.175 8.719 1.00 0.00 H new ATOM 0 HA THR A 99 0.965 11.687 7.900 1.00 0.00 H new ATOM 0 HB THR A 99 -0.039 13.686 6.813 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.514 13.581 6.877 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.462 12.483 5.195 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.000 11.554 5.604 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.567 11.107 6.319 1.00 0.00 H new ATOM 1523 N LEU A 100 1.141 14.175 9.013 1.00 0.00 N ATOM 1524 CA LEU A 100 1.550 15.204 9.963 1.00 0.00 C ATOM 1525 C LEU A 100 0.404 16.170 10.246 1.00 0.00 C ATOM 1526 O LEU A 100 -0.559 16.250 9.482 1.00 0.00 O ATOM 1527 CB LEU A 100 2.759 15.971 9.426 1.00 0.00 C ATOM 1528 CG LEU A 100 4.131 15.419 9.813 1.00 0.00 C ATOM 1529 CD1 LEU A 100 4.268 13.971 9.368 1.00 0.00 C ATOM 1530 CD2 LEU A 100 5.239 16.271 9.211 1.00 0.00 C ATOM 0 H LEU A 100 1.465 14.330 8.058 1.00 0.00 H new ATOM 0 HA LEU A 100 1.825 14.713 10.896 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.694 15.997 8.338 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.693 17.002 9.774 1.00 0.00 H new ATOM 0 HG LEU A 100 4.223 15.455 10.899 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.251 13.595 9.652 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.496 13.369 9.847 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.155 13.911 8.286 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.208 15.863 9.497 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.151 16.268 8.125 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.153 17.293 9.579 1.00 0.00 H new ATOM 1542 N THR A 101 0.515 16.906 11.347 1.00 0.00 N ATOM 1543 CA THR A 101 -0.511 17.868 11.730 1.00 0.00 C ATOM 1544 C THR A 101 0.110 19.197 12.147 1.00 0.00 C ATOM 1545 O THR A 101 1.050 19.231 12.941 1.00 0.00 O ATOM 1546 CB THR A 101 -1.378 17.335 12.886 1.00 0.00 C ATOM 1547 OG1 THR A 101 -1.816 18.420 13.711 1.00 0.00 O ATOM 1548 CG2 THR A 101 -0.602 16.332 13.727 1.00 0.00 C ATOM 0 H THR A 101 1.305 16.854 11.990 1.00 0.00 H new ATOM 0 HA THR A 101 -1.141 18.023 10.854 1.00 0.00 H new ATOM 0 HB THR A 101 -2.245 16.832 12.458 1.00 0.00 H new ATOM 0 HG1 THR A 101 -2.368 18.073 14.443 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.235 15.970 14.537 1.00 0.00 H new ATOM 0 HG22 THR A 101 -0.296 15.493 13.102 1.00 0.00 H new ATOM 0 HG23 THR A 101 0.282 16.814 14.145 1.00 0.00 H new ATOM 1556 N ASP A 102 -0.422 20.288 11.608 1.00 0.00 N ATOM 1557 CA ASP A 102 0.079 21.620 11.926 1.00 0.00 C ATOM 1558 C ASP A 102 -0.719 22.243 13.066 1.00 0.00 C ATOM 1559 O ASP A 102 -1.739 22.894 12.840 1.00 0.00 O ATOM 1560 CB ASP A 102 0.015 22.520 10.691 1.00 0.00 C ATOM 1561 CG ASP A 102 0.278 23.976 11.022 1.00 0.00 C ATOM 1562 OD1 ASP A 102 1.463 24.362 11.099 1.00 0.00 O ATOM 1563 OD2 ASP A 102 -0.701 24.730 11.204 1.00 0.00 O ATOM 0 H ASP A 102 -1.200 20.276 10.949 1.00 0.00 H new ATOM 0 HA ASP A 102 1.117 21.524 12.243 1.00 0.00 H new ATOM 0 HB2 ASP A 102 0.746 22.179 9.958 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -0.967 22.427 10.228 1.00 0.00 H new