USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1006 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 49 GLN : amide:sc= -0.851 X(o=-12,f=-12) USER MOD Set 1.2: B 45 MET CE :methyl -143:sc= -7.83! (180deg=-7.46!) USER MOD Set 1.3: B 49 GLN : amide:sc= -3.31 X(o=-12,f=-12) USER MOD Set 2.1: A 45 MET CE :methyl -121:sc= -2.21 (180deg=-7.21!) USER MOD Set 2.2: B 61 LYS NZ :NH3+ -124:sc= -1.07 (180deg=-2.24!) USER MOD Set 3.1: A 12 THR OG1 : rot 150:sc= 0.346 USER MOD Set 3.2: B 35 MET CE :methyl -116:sc= -3.45! (180deg=-5.66!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 23 THR OG1 : rot -105:sc= -1.2! USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= -0.0887 (180deg=-0.388) USER MOD Single : A 28 SER OG : rot 100:sc= 0.649 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.324 K(o=-0.32,f=-2.7!) USER MOD Single : A 35 MET CE :methyl 170:sc= -0.379 (180deg=-0.934) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0563 USER MOD Single : A 50 ASN :FLIP amide:sc= -4.65! C(o=-5.5!,f=-4.7!) USER MOD Single : A 51 LYS NZ :NH3+ -131:sc= -4.08! (180deg=-8.55!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0.44) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -151:sc= -0.332 (180deg=-0.819) USER MOD Single : A 66 SER OG : rot -13:sc= 0.685 USER MOD Single : B 9 LYS NZ :NH3+ 170:sc= 1.29 (180deg=1.09) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.283) USER MOD Single : B 12 THR OG1 : rot 158:sc= 1.21 USER MOD Single : B 13 THR OG1 : rot 180:sc= 0 USER MOD Single : B 21 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 HIS : no HD1:sc= -0.0172 X(o=-0.017,f=-0.21) USER MOD Single : B 23 THR OG1 : rot -78:sc= -1.17! USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 SER OG : rot 75:sc= 0.772 USER MOD Single : B 30 TYR OH : rot 180:sc= 0 USER MOD Single : B 32 ASN : amide:sc= -0.0142 X(o=-0.014,f=-0.31) USER MOD Single : B 36 THR OG1 : rot -82:sc= 0.0868 USER MOD Single : B 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 51 LYS NZ :NH3+ -131:sc= -3.91 (180deg=-7.78!) USER MOD Single : B 53 LYS NZ :NH3+ 163:sc= 0.0174 (180deg=0.00106) USER MOD Single : B 56 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.025) USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 SER OG : rot 71:sc= 0.229 USER MOD ----------------------------------------------------------------- ATOM 135 N LYS A 9 2.195 10.374 -14.436 1.00 0.00 N ATOM 136 CA LYS A 9 1.843 9.128 -13.767 1.00 0.00 C ATOM 137 C LYS A 9 1.596 8.044 -14.807 1.00 0.00 C ATOM 138 O LYS A 9 0.999 8.302 -15.852 1.00 0.00 O ATOM 139 CB LYS A 9 0.604 9.338 -12.880 1.00 0.00 C ATOM 140 CG LYS A 9 -0.509 8.319 -13.093 1.00 0.00 C ATOM 141 CD LYS A 9 -1.752 8.676 -12.293 1.00 0.00 C ATOM 142 CE LYS A 9 -2.794 9.361 -13.163 1.00 0.00 C ATOM 143 NZ LYS A 9 -3.825 10.061 -12.348 1.00 0.00 N ATOM 0 HA LYS A 9 2.666 8.811 -13.126 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.912 9.307 -11.835 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.206 10.336 -13.065 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.759 8.268 -14.153 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.158 7.329 -12.800 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.177 7.772 -11.856 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.479 9.331 -11.466 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.303 10.078 -13.821 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.277 8.621 -13.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.517 10.515 -12.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.312 9.373 -11.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.368 10.785 -11.757 1.00 0.00 H new ATOM 157 N LYS A 10 2.076 6.838 -14.531 1.00 0.00 N ATOM 158 CA LYS A 10 1.916 5.739 -15.468 1.00 0.00 C ATOM 159 C LYS A 10 1.231 4.552 -14.804 1.00 0.00 C ATOM 160 O LYS A 10 1.623 4.128 -13.722 1.00 0.00 O ATOM 161 CB LYS A 10 3.286 5.319 -16.001 1.00 0.00 C ATOM 162 CG LYS A 10 3.960 6.363 -16.875 1.00 0.00 C ATOM 163 CD LYS A 10 5.442 6.496 -16.538 1.00 0.00 C ATOM 164 CE LYS A 10 6.309 6.380 -17.783 1.00 0.00 C ATOM 165 NZ LYS A 10 6.649 4.964 -18.095 1.00 0.00 N ATOM 0 H LYS A 10 2.574 6.599 -13.674 1.00 0.00 H new ATOM 0 HA LYS A 10 1.289 6.075 -16.294 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.938 5.092 -15.157 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.174 4.399 -16.574 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.847 6.090 -17.924 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.467 7.326 -16.741 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.622 7.457 -16.056 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.725 5.723 -15.823 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.787 6.823 -18.631 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.227 6.950 -17.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.240 4.929 -18.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.170 4.548 -17.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.775 4.425 -18.257 1.00 0.00 H new ATOM 179 N LYS A 11 0.211 4.005 -15.452 1.00 0.00 N ATOM 180 CA LYS A 11 -0.488 2.861 -14.889 1.00 0.00 C ATOM 181 C LYS A 11 0.467 1.686 -14.768 1.00 0.00 C ATOM 182 O LYS A 11 0.847 1.075 -15.767 1.00 0.00 O ATOM 183 CB LYS A 11 -1.685 2.475 -15.757 1.00 0.00 C ATOM 184 CG LYS A 11 -2.743 3.563 -15.854 1.00 0.00 C ATOM 185 CD LYS A 11 -2.457 4.523 -17.000 1.00 0.00 C ATOM 186 CE LYS A 11 -2.165 5.926 -16.492 1.00 0.00 C ATOM 187 NZ LYS A 11 -2.011 6.900 -17.608 1.00 0.00 N ATOM 0 H LYS A 11 -0.145 4.328 -16.352 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.857 3.132 -13.900 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.333 2.232 -16.760 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.141 1.572 -15.352 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.723 3.107 -15.997 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.783 4.117 -14.916 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.607 4.159 -17.577 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.312 4.550 -17.675 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.973 6.250 -15.836 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.254 5.913 -15.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.813 7.844 -17.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.224 6.605 -18.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.889 6.932 -18.165 1.00 0.00 H new ATOM 201 N THR A 12 0.863 1.381 -13.540 1.00 0.00 N ATOM 202 CA THR A 12 1.785 0.286 -13.294 1.00 0.00 C ATOM 203 C THR A 12 1.133 -0.800 -12.450 1.00 0.00 C ATOM 204 O THR A 12 0.544 -0.517 -11.409 1.00 0.00 O ATOM 205 CB THR A 12 3.051 0.796 -12.605 1.00 0.00 C ATOM 206 OG1 THR A 12 3.448 2.044 -13.145 1.00 0.00 O ATOM 207 CG2 THR A 12 4.223 -0.154 -12.732 1.00 0.00 C ATOM 0 H THR A 12 0.560 1.876 -12.702 1.00 0.00 H new ATOM 0 HA THR A 12 2.056 -0.145 -14.258 1.00 0.00 H new ATOM 0 HB THR A 12 2.790 0.888 -11.551 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.909 2.567 -12.456 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.089 0.267 -12.222 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.966 -1.112 -12.280 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.459 -0.302 -13.786 1.00 0.00 H new ATOM 215 N THR A 13 1.236 -2.043 -12.905 1.00 0.00 N ATOM 216 CA THR A 13 0.643 -3.161 -12.186 1.00 0.00 C ATOM 217 C THR A 13 1.585 -3.729 -11.136 1.00 0.00 C ATOM 218 O THR A 13 2.792 -3.838 -11.348 1.00 0.00 O ATOM 219 CB THR A 13 0.234 -4.275 -13.147 1.00 0.00 C ATOM 220 OG1 THR A 13 -0.080 -3.752 -14.426 1.00 0.00 O ATOM 221 CG2 THR A 13 -0.962 -5.065 -12.662 1.00 0.00 C ATOM 0 H THR A 13 1.722 -2.300 -13.764 1.00 0.00 H new ATOM 0 HA THR A 13 -0.241 -2.771 -11.682 1.00 0.00 H new ATOM 0 HB THR A 13 1.095 -4.942 -13.202 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.337 -4.484 -15.025 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.204 -5.842 -13.388 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.729 -5.525 -11.702 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.816 -4.398 -12.546 1.00 0.00 H new ATOM 229 N LEU A 14 1.001 -4.114 -10.011 1.00 0.00 N ATOM 230 CA LEU A 14 1.739 -4.708 -8.911 1.00 0.00 C ATOM 231 C LEU A 14 0.993 -5.944 -8.441 1.00 0.00 C ATOM 232 O LEU A 14 -0.212 -5.887 -8.202 1.00 0.00 O ATOM 233 CB LEU A 14 1.883 -3.718 -7.751 1.00 0.00 C ATOM 234 CG LEU A 14 2.085 -2.255 -8.154 1.00 0.00 C ATOM 235 CD1 LEU A 14 1.296 -1.338 -7.233 1.00 0.00 C ATOM 236 CD2 LEU A 14 3.564 -1.895 -8.130 1.00 0.00 C ATOM 0 H LEU A 14 0.000 -4.022 -9.837 1.00 0.00 H new ATOM 0 HA LEU A 14 2.739 -4.975 -9.252 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.992 -3.785 -7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.728 -4.027 -7.135 1.00 0.00 H new ATOM 0 HG LEU A 14 1.716 -2.122 -9.171 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.450 -0.301 -7.533 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.235 -1.581 -7.299 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.636 -1.473 -6.206 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.689 -0.852 -8.419 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.958 -2.043 -7.125 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.105 -2.533 -8.829 1.00 0.00 H new ATOM 248 N ALA A 15 1.690 -7.067 -8.322 1.00 0.00 N ATOM 249 CA ALA A 15 1.026 -8.286 -7.896 1.00 0.00 C ATOM 250 C ALA A 15 0.997 -8.395 -6.386 1.00 0.00 C ATOM 251 O ALA A 15 1.922 -8.914 -5.764 1.00 0.00 O ATOM 252 CB ALA A 15 1.704 -9.503 -8.510 1.00 0.00 C ATOM 0 H ALA A 15 2.689 -7.157 -8.509 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.005 -8.249 -8.247 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.194 -10.408 -8.181 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.658 -9.436 -9.597 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.746 -9.538 -8.193 1.00 0.00 H new ATOM 258 N PHE A 16 -0.106 -7.925 -5.819 1.00 0.00 N ATOM 259 CA PHE A 16 -0.339 -7.974 -4.392 1.00 0.00 C ATOM 260 C PHE A 16 -1.807 -7.792 -4.104 1.00 0.00 C ATOM 261 O PHE A 16 -2.598 -7.499 -4.995 1.00 0.00 O ATOM 262 CB PHE A 16 0.456 -6.915 -3.637 1.00 0.00 C ATOM 263 CG PHE A 16 1.907 -6.863 -4.017 1.00 0.00 C ATOM 264 CD1 PHE A 16 2.362 -5.933 -4.937 1.00 0.00 C ATOM 265 CD2 PHE A 16 2.816 -7.748 -3.459 1.00 0.00 C ATOM 266 CE1 PHE A 16 3.696 -5.887 -5.294 1.00 0.00 C ATOM 267 CE2 PHE A 16 4.151 -7.705 -3.811 1.00 0.00 C ATOM 268 CZ PHE A 16 4.591 -6.773 -4.731 1.00 0.00 C ATOM 0 H PHE A 16 -0.867 -7.497 -6.346 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.003 -8.952 -4.047 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.007 -5.939 -3.819 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.377 -7.108 -2.567 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.666 -5.236 -5.380 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.477 -8.480 -2.741 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.038 -5.158 -6.013 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.850 -8.399 -3.368 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.634 -6.738 -5.009 1.00 0.00 H new ATOM 278 N ASP A 17 -2.152 -7.942 -2.848 1.00 0.00 N ATOM 279 CA ASP A 17 -3.514 -7.775 -2.390 1.00 0.00 C ATOM 280 C ASP A 17 -3.698 -8.528 -1.111 1.00 0.00 C ATOM 281 O ASP A 17 -4.379 -8.075 -0.198 1.00 0.00 O ATOM 282 CB ASP A 17 -4.536 -8.253 -3.410 1.00 0.00 C ATOM 283 CG ASP A 17 -5.145 -7.112 -4.203 1.00 0.00 C ATOM 284 OD1 ASP A 17 -6.243 -7.300 -4.766 1.00 0.00 O ATOM 285 OD2 ASP A 17 -4.524 -6.030 -4.257 1.00 0.00 O ATOM 0 H ASP A 17 -1.493 -8.185 -2.109 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.681 -6.709 -2.239 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.059 -8.954 -4.096 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.328 -8.798 -2.897 1.00 0.00 H new ATOM 290 N GLU A 18 -3.071 -9.680 -1.031 1.00 0.00 N ATOM 291 CA GLU A 18 -3.178 -10.465 0.170 1.00 0.00 C ATOM 292 C GLU A 18 -2.956 -9.557 1.379 1.00 0.00 C ATOM 293 O GLU A 18 -3.869 -9.306 2.172 1.00 0.00 O ATOM 294 CB GLU A 18 -2.164 -11.611 0.172 1.00 0.00 C ATOM 295 CG GLU A 18 -2.151 -12.414 1.464 1.00 0.00 C ATOM 296 CD GLU A 18 -0.815 -12.351 2.178 1.00 0.00 C ATOM 297 OE1 GLU A 18 -0.728 -11.665 3.218 1.00 0.00 O ATOM 298 OE2 GLU A 18 0.146 -12.989 1.697 1.00 0.00 O ATOM 0 H GLU A 18 -2.494 -10.085 -1.768 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.174 -10.906 0.218 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.384 -12.281 -0.659 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.168 -11.204 -0.002 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.931 -12.040 2.127 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.392 -13.454 1.243 1.00 0.00 H new ATOM 305 N ASP A 19 -1.741 -9.031 1.481 1.00 0.00 N ATOM 306 CA ASP A 19 -1.393 -8.130 2.574 1.00 0.00 C ATOM 307 C ASP A 19 -1.766 -6.691 2.253 1.00 0.00 C ATOM 308 O ASP A 19 -2.366 -6.005 3.076 1.00 0.00 O ATOM 309 CB ASP A 19 0.099 -8.228 2.893 1.00 0.00 C ATOM 310 CG ASP A 19 0.373 -8.198 4.383 1.00 0.00 C ATOM 311 OD1 ASP A 19 0.219 -9.252 5.036 1.00 0.00 O ATOM 312 OD2 ASP A 19 0.743 -7.122 4.898 1.00 0.00 O ATOM 0 H ASP A 19 -0.983 -9.212 0.823 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.966 -8.438 3.449 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.498 -9.150 2.471 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.626 -7.403 2.413 1.00 0.00 H new ATOM 317 N VAL A 20 -1.404 -6.228 1.062 1.00 0.00 N ATOM 318 CA VAL A 20 -1.709 -4.860 0.674 1.00 0.00 C ATOM 319 C VAL A 20 -3.216 -4.614 0.678 1.00 0.00 C ATOM 320 O VAL A 20 -3.668 -3.579 1.151 1.00 0.00 O ATOM 321 CB VAL A 20 -1.112 -4.495 -0.700 1.00 0.00 C ATOM 322 CG1 VAL A 20 0.367 -4.828 -0.739 1.00 0.00 C ATOM 323 CG2 VAL A 20 -1.839 -5.210 -1.819 1.00 0.00 C ATOM 0 H VAL A 20 -0.906 -6.773 0.358 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.243 -4.212 1.416 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.237 -3.422 -0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.774 -4.565 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.887 -4.264 0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.504 -5.895 -0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.396 -4.933 -2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.754 -6.287 -1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.891 -4.925 -1.810 1.00 0.00 H new ATOM 333 N TYR A 21 -3.999 -5.569 0.172 1.00 0.00 N ATOM 334 CA TYR A 21 -5.451 -5.406 0.161 1.00 0.00 C ATOM 335 C TYR A 21 -5.998 -5.452 1.582 1.00 0.00 C ATOM 336 O TYR A 21 -6.799 -4.597 1.964 1.00 0.00 O ATOM 337 CB TYR A 21 -6.151 -6.460 -0.709 1.00 0.00 C ATOM 338 CG TYR A 21 -7.479 -5.998 -1.263 1.00 0.00 C ATOM 339 CD1 TYR A 21 -7.614 -4.740 -1.835 1.00 0.00 C ATOM 340 CD2 TYR A 21 -8.599 -6.818 -1.208 1.00 0.00 C ATOM 341 CE1 TYR A 21 -8.828 -4.312 -2.340 1.00 0.00 C ATOM 342 CE2 TYR A 21 -9.816 -6.399 -1.712 1.00 0.00 C ATOM 343 CZ TYR A 21 -9.925 -5.146 -2.275 1.00 0.00 C ATOM 344 OH TYR A 21 -11.135 -4.724 -2.777 1.00 0.00 O ATOM 0 H TYR A 21 -3.660 -6.445 -0.227 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.661 -4.431 -0.279 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.495 -6.730 -1.537 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.307 -7.362 -0.118 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.757 -4.085 -1.886 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.518 -7.799 -0.764 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.917 -3.331 -2.783 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -10.677 -7.050 -1.665 1.00 0.00 H new ATOM 0 HH TYR A 21 -11.804 -5.430 -2.654 1.00 0.00 H new ATOM 354 N HIS A 22 -5.564 -6.434 2.380 1.00 0.00 N ATOM 355 CA HIS A 22 -6.039 -6.518 3.757 1.00 0.00 C ATOM 356 C HIS A 22 -5.541 -5.322 4.558 1.00 0.00 C ATOM 357 O HIS A 22 -6.276 -4.761 5.368 1.00 0.00 O ATOM 358 CB HIS A 22 -5.592 -7.826 4.415 1.00 0.00 C ATOM 359 CG HIS A 22 -6.727 -8.661 4.918 1.00 0.00 C ATOM 360 ND1 HIS A 22 -7.019 -9.914 4.421 1.00 0.00 N ATOM 361 CD2 HIS A 22 -7.647 -8.417 5.882 1.00 0.00 C ATOM 362 CE1 HIS A 22 -8.069 -10.404 5.056 1.00 0.00 C ATOM 363 NE2 HIS A 22 -8.469 -9.516 5.947 1.00 0.00 N ATOM 0 H HIS A 22 -4.904 -7.160 2.103 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.129 -6.505 3.743 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.016 -8.407 3.695 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.925 -7.596 5.246 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.721 -7.525 6.487 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -8.523 -11.367 4.877 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.260 -9.628 6.581 1.00 0.00 H new ATOM 372 N THR A 23 -4.298 -4.920 4.317 1.00 0.00 N ATOM 373 CA THR A 23 -3.737 -3.770 5.014 1.00 0.00 C ATOM 374 C THR A 23 -4.412 -2.495 4.533 1.00 0.00 C ATOM 375 O THR A 23 -4.844 -1.671 5.335 1.00 0.00 O ATOM 376 CB THR A 23 -2.233 -3.669 4.799 1.00 0.00 C ATOM 377 OG1 THR A 23 -1.925 -3.589 3.419 1.00 0.00 O ATOM 378 CG2 THR A 23 -1.461 -4.833 5.383 1.00 0.00 C ATOM 0 H THR A 23 -3.667 -5.367 3.652 1.00 0.00 H new ATOM 0 HA THR A 23 -3.918 -3.902 6.081 1.00 0.00 H new ATOM 0 HB THR A 23 -1.930 -2.761 5.321 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.560 -4.446 3.115 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.397 -4.695 5.193 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.634 -4.882 6.458 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.795 -5.761 4.919 1.00 0.00 H new ATOM 386 N LEU A 24 -4.530 -2.348 3.214 1.00 0.00 N ATOM 387 CA LEU A 24 -5.191 -1.179 2.646 1.00 0.00 C ATOM 388 C LEU A 24 -6.600 -1.065 3.214 1.00 0.00 C ATOM 389 O LEU A 24 -7.210 -0.001 3.173 1.00 0.00 O ATOM 390 CB LEU A 24 -5.248 -1.257 1.118 1.00 0.00 C ATOM 391 CG LEU A 24 -4.161 -0.457 0.396 1.00 0.00 C ATOM 392 CD1 LEU A 24 -4.149 0.984 0.882 1.00 0.00 C ATOM 393 CD2 LEU A 24 -2.798 -1.099 0.604 1.00 0.00 C ATOM 0 H LEU A 24 -4.180 -3.016 2.527 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.613 -0.295 2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.171 -2.302 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.223 -0.901 0.786 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.384 -0.460 -0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.370 1.538 0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.117 1.443 0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.951 1.005 1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.038 -0.516 0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.568 -1.127 1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.810 -2.115 0.209 1.00 0.00 H new ATOM 405 N LYS A 25 -7.109 -2.175 3.747 1.00 0.00 N ATOM 406 CA LYS A 25 -8.440 -2.198 4.322 1.00 0.00 C ATOM 407 C LYS A 25 -8.514 -1.355 5.588 1.00 0.00 C ATOM 408 O LYS A 25 -9.429 -0.548 5.739 1.00 0.00 O ATOM 409 CB LYS A 25 -8.877 -3.632 4.624 1.00 0.00 C ATOM 410 CG LYS A 25 -10.341 -3.749 5.013 1.00 0.00 C ATOM 411 CD LYS A 25 -10.519 -3.716 6.522 1.00 0.00 C ATOM 412 CE LYS A 25 -11.966 -3.968 6.919 1.00 0.00 C ATOM 413 NZ LYS A 25 -12.916 -3.179 6.087 1.00 0.00 N ATOM 0 H LYS A 25 -6.615 -3.066 3.789 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.120 -1.769 3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.691 -4.252 3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.262 -4.029 5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.905 -2.933 4.561 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.751 -4.678 4.617 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.878 -4.469 6.981 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.199 -2.747 6.906 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.190 -5.030 6.818 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.104 -3.712 7.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.848 -3.161 6.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.562 -2.207 5.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.002 -3.618 5.148 1.00 0.00 H new ATOM 427 N LEU A 26 -7.557 -1.531 6.499 1.00 0.00 N ATOM 428 CA LEU A 26 -7.570 -0.752 7.733 1.00 0.00 C ATOM 429 C LEU A 26 -7.260 0.707 7.431 1.00 0.00 C ATOM 430 O LEU A 26 -7.927 1.610 7.929 1.00 0.00 O ATOM 431 CB LEU A 26 -6.608 -1.319 8.783 1.00 0.00 C ATOM 432 CG LEU A 26 -5.229 -1.704 8.271 1.00 0.00 C ATOM 433 CD1 LEU A 26 -4.354 -0.470 8.148 1.00 0.00 C ATOM 434 CD2 LEU A 26 -4.587 -2.734 9.188 1.00 0.00 C ATOM 0 H LEU A 26 -6.783 -2.189 6.409 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.571 -0.817 8.160 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.488 -0.581 9.576 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.067 -2.199 9.233 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.334 -2.152 7.283 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.369 -0.758 7.781 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.811 0.232 7.450 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.253 0.003 9.125 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.601 -2.997 8.805 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.488 -2.317 10.190 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.211 -3.627 9.226 1.00 0.00 H new ATOM 446 N VAL A 27 -6.263 0.927 6.585 1.00 0.00 N ATOM 447 CA VAL A 27 -5.879 2.278 6.181 1.00 0.00 C ATOM 448 C VAL A 27 -6.988 2.938 5.389 1.00 0.00 C ATOM 449 O VAL A 27 -7.303 4.103 5.604 1.00 0.00 O ATOM 450 CB VAL A 27 -4.597 2.297 5.327 1.00 0.00 C ATOM 451 CG1 VAL A 27 -3.393 2.698 6.158 1.00 0.00 C ATOM 452 CG2 VAL A 27 -4.367 0.969 4.682 1.00 0.00 C ATOM 0 H VAL A 27 -5.702 0.187 6.163 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.691 2.827 7.104 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.732 3.042 4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.502 2.703 5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.551 3.694 6.571 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.259 1.985 6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.456 1.008 4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.264 0.204 5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.213 0.726 4.039 1.00 0.00 H new ATOM 462 N SER A 28 -7.574 2.204 4.458 1.00 0.00 N ATOM 463 CA SER A 28 -8.632 2.775 3.647 1.00 0.00 C ATOM 464 C SER A 28 -9.843 3.133 4.498 1.00 0.00 C ATOM 465 O SER A 28 -10.534 4.114 4.223 1.00 0.00 O ATOM 466 CB SER A 28 -9.038 1.826 2.518 1.00 0.00 C ATOM 467 OG SER A 28 -8.002 1.703 1.558 1.00 0.00 O ATOM 0 H SER A 28 -7.341 1.233 4.249 1.00 0.00 H new ATOM 0 HA SER A 28 -8.243 3.690 3.201 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.274 0.845 2.930 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.943 2.195 2.036 1.00 0.00 H new ATOM 0 HG SER A 28 -7.502 0.876 1.720 1.00 0.00 H new ATOM 473 N VAL A 29 -10.089 2.344 5.538 1.00 0.00 N ATOM 474 CA VAL A 29 -11.208 2.587 6.431 1.00 0.00 C ATOM 475 C VAL A 29 -10.846 3.667 7.442 1.00 0.00 C ATOM 476 O VAL A 29 -11.600 4.615 7.659 1.00 0.00 O ATOM 477 CB VAL A 29 -11.620 1.282 7.156 1.00 0.00 C ATOM 478 CG1 VAL A 29 -11.402 1.366 8.660 1.00 0.00 C ATOM 479 CG2 VAL A 29 -13.064 0.926 6.839 1.00 0.00 C ATOM 0 H VAL A 29 -9.525 1.530 5.781 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.057 2.931 5.840 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.973 0.488 6.783 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -11.705 0.428 9.125 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.347 1.548 8.865 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.997 2.182 9.069 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.334 0.006 7.358 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.718 1.734 7.167 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.176 0.783 5.764 1.00 0.00 H new ATOM 489 N TYR A 30 -9.683 3.506 8.057 1.00 0.00 N ATOM 490 CA TYR A 30 -9.209 4.459 9.051 1.00 0.00 C ATOM 491 C TYR A 30 -8.795 5.773 8.397 1.00 0.00 C ATOM 492 O TYR A 30 -8.815 6.822 9.041 1.00 0.00 O ATOM 493 CB TYR A 30 -8.035 3.881 9.843 1.00 0.00 C ATOM 494 CG TYR A 30 -8.458 3.082 11.055 1.00 0.00 C ATOM 495 CD1 TYR A 30 -8.568 1.698 10.998 1.00 0.00 C ATOM 496 CD2 TYR A 30 -8.746 3.713 12.259 1.00 0.00 C ATOM 497 CE1 TYR A 30 -8.956 0.966 12.104 1.00 0.00 C ATOM 498 CE2 TYR A 30 -9.133 2.989 13.371 1.00 0.00 C ATOM 499 CZ TYR A 30 -9.237 1.616 13.288 1.00 0.00 C ATOM 500 OH TYR A 30 -9.621 0.891 14.392 1.00 0.00 O ATOM 0 H TYR A 30 -9.050 2.725 7.885 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.033 4.656 9.737 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.443 3.243 9.186 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -7.387 4.697 10.164 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.346 1.186 10.073 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.666 4.788 12.327 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.039 -0.109 12.042 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -9.353 3.495 14.299 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.780 1.499 15.144 1.00 0.00 H new ATOM 510 N LEU A 31 -8.422 5.723 7.119 1.00 0.00 N ATOM 511 CA LEU A 31 -8.014 6.928 6.412 1.00 0.00 C ATOM 512 C LEU A 31 -9.074 7.337 5.391 1.00 0.00 C ATOM 513 O LEU A 31 -8.938 8.361 4.724 1.00 0.00 O ATOM 514 CB LEU A 31 -6.668 6.723 5.698 1.00 0.00 C ATOM 515 CG LEU A 31 -5.553 5.995 6.482 1.00 0.00 C ATOM 516 CD1 LEU A 31 -4.220 6.697 6.278 1.00 0.00 C ATOM 517 CD2 LEU A 31 -5.865 5.894 7.969 1.00 0.00 C ATOM 0 H LEU A 31 -8.395 4.870 6.560 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.901 7.721 7.152 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.855 6.165 4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.290 7.702 5.404 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.495 4.980 6.090 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.444 6.173 6.836 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.967 6.697 5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.292 7.725 6.634 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.052 5.375 8.477 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.973 6.895 8.387 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.793 5.340 8.109 1.00 0.00 H new ATOM 529 N ASN A 32 -10.126 6.525 5.261 1.00 0.00 N ATOM 530 CA ASN A 32 -11.192 6.809 4.307 1.00 0.00 C ATOM 531 C ASN A 32 -10.598 7.087 2.934 1.00 0.00 C ATOM 532 O ASN A 32 -11.095 7.924 2.182 1.00 0.00 O ATOM 533 CB ASN A 32 -12.020 8.008 4.773 1.00 0.00 C ATOM 534 CG ASN A 32 -13.497 7.843 4.473 1.00 0.00 C ATOM 535 OD1 ASN A 32 -13.938 6.782 4.029 1.00 0.00 O ATOM 536 ND2 ASN A 32 -14.272 8.894 4.715 1.00 0.00 N ATOM 0 H ASN A 32 -10.259 5.671 5.803 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.846 5.939 4.243 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -11.883 8.146 5.846 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.652 8.911 4.286 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -15.274 8.841 4.533 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -13.865 9.754 5.083 1.00 0.00 H new ATOM 543 N ARG A 33 -9.513 6.384 2.626 1.00 0.00 N ATOM 544 CA ARG A 33 -8.822 6.561 1.353 1.00 0.00 C ATOM 545 C ARG A 33 -8.734 5.255 0.573 1.00 0.00 C ATOM 546 O ARG A 33 -8.514 4.189 1.148 1.00 0.00 O ATOM 547 CB ARG A 33 -7.412 7.102 1.600 1.00 0.00 C ATOM 548 CG ARG A 33 -7.395 8.502 2.192 1.00 0.00 C ATOM 549 CD ARG A 33 -6.286 9.351 1.590 1.00 0.00 C ATOM 550 NE ARG A 33 -5.851 10.406 2.502 1.00 0.00 N ATOM 551 CZ ARG A 33 -6.595 11.463 2.823 1.00 0.00 C ATOM 552 NH1 ARG A 33 -7.807 11.613 2.302 1.00 0.00 N ATOM 553 NH2 ARG A 33 -6.125 12.372 3.666 1.00 0.00 N ATOM 0 H ARG A 33 -9.093 5.686 3.240 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.397 7.272 0.759 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.884 6.425 2.272 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.863 7.108 0.658 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.358 8.983 2.018 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.261 8.439 3.272 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.437 8.715 1.340 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.635 9.797 0.659 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.923 10.329 2.917 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.173 10.917 1.652 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.372 12.424 2.551 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.194 12.262 4.068 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.694 13.182 3.912 1.00 0.00 H new ATOM 567 N ASP A 34 -8.884 5.347 -0.744 1.00 0.00 N ATOM 568 CA ASP A 34 -8.795 4.175 -1.603 1.00 0.00 C ATOM 569 C ASP A 34 -7.422 3.535 -1.457 1.00 0.00 C ATOM 570 O ASP A 34 -6.496 4.163 -0.941 1.00 0.00 O ATOM 571 CB ASP A 34 -9.049 4.557 -3.063 1.00 0.00 C ATOM 572 CG ASP A 34 -9.831 3.495 -3.811 1.00 0.00 C ATOM 573 OD1 ASP A 34 -10.745 3.863 -4.578 1.00 0.00 O ATOM 574 OD2 ASP A 34 -9.530 2.297 -3.629 1.00 0.00 O ATOM 0 H ASP A 34 -9.067 6.220 -1.238 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.558 3.458 -1.300 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.595 5.500 -3.099 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.095 4.722 -3.564 1.00 0.00 H new ATOM 579 N MET A 35 -7.282 2.292 -1.898 1.00 0.00 N ATOM 580 CA MET A 35 -6.012 1.604 -1.791 1.00 0.00 C ATOM 581 C MET A 35 -4.916 2.394 -2.504 1.00 0.00 C ATOM 582 O MET A 35 -3.870 2.682 -1.920 1.00 0.00 O ATOM 583 CB MET A 35 -6.127 0.185 -2.355 1.00 0.00 C ATOM 584 CG MET A 35 -4.951 -0.223 -3.215 1.00 0.00 C ATOM 585 SD MET A 35 -5.038 -1.942 -3.756 1.00 0.00 S ATOM 586 CE MET A 35 -6.760 -2.061 -4.234 1.00 0.00 C ATOM 0 H MET A 35 -8.028 1.747 -2.329 1.00 0.00 H new ATOM 0 HA MET A 35 -5.740 1.528 -0.738 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.223 -0.519 -1.528 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.041 0.111 -2.945 1.00 0.00 H new ATOM 0 HG2 MET A 35 -4.905 0.426 -4.090 1.00 0.00 H new ATOM 0 HG3 MET A 35 -4.028 -0.070 -2.656 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.929 -3.004 -4.754 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.388 -2.019 -3.344 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.012 -1.232 -4.895 1.00 0.00 H new ATOM 596 N THR A 36 -5.164 2.755 -3.761 1.00 0.00 N ATOM 597 CA THR A 36 -4.192 3.524 -4.528 1.00 0.00 C ATOM 598 C THR A 36 -3.879 4.828 -3.807 1.00 0.00 C ATOM 599 O THR A 36 -2.719 5.176 -3.610 1.00 0.00 O ATOM 600 CB THR A 36 -4.720 3.830 -5.938 1.00 0.00 C ATOM 601 OG1 THR A 36 -6.133 3.916 -5.936 1.00 0.00 O ATOM 602 CG2 THR A 36 -4.327 2.806 -6.984 1.00 0.00 C ATOM 0 H THR A 36 -6.022 2.529 -4.265 1.00 0.00 H new ATOM 0 HA THR A 36 -3.284 2.928 -4.621 1.00 0.00 H new ATOM 0 HB THR A 36 -4.259 4.781 -6.205 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.450 4.113 -6.842 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.739 3.096 -7.950 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.240 2.756 -7.054 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.718 1.829 -6.701 1.00 0.00 H new ATOM 610 N GLU A 37 -4.924 5.539 -3.406 1.00 0.00 N ATOM 611 CA GLU A 37 -4.759 6.801 -2.697 1.00 0.00 C ATOM 612 C GLU A 37 -3.853 6.626 -1.482 1.00 0.00 C ATOM 613 O GLU A 37 -3.000 7.465 -1.212 1.00 0.00 O ATOM 614 CB GLU A 37 -6.120 7.346 -2.260 1.00 0.00 C ATOM 615 CG GLU A 37 -6.229 8.859 -2.361 1.00 0.00 C ATOM 616 CD GLU A 37 -6.461 9.333 -3.783 1.00 0.00 C ATOM 617 OE1 GLU A 37 -7.076 8.581 -4.566 1.00 0.00 O ATOM 618 OE2 GLU A 37 -6.028 10.458 -4.111 1.00 0.00 O ATOM 0 H GLU A 37 -5.894 5.264 -3.559 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.292 7.514 -3.377 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.898 6.892 -2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.310 7.044 -1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.047 9.204 -1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.316 9.312 -1.975 1.00 0.00 H new ATOM 625 N ILE A 38 -4.044 5.526 -0.757 1.00 0.00 N ATOM 626 CA ILE A 38 -3.245 5.238 0.431 1.00 0.00 C ATOM 627 C ILE A 38 -1.845 4.755 0.057 1.00 0.00 C ATOM 628 O ILE A 38 -0.848 5.315 0.511 1.00 0.00 O ATOM 629 CB ILE A 38 -3.930 4.166 1.313 1.00 0.00 C ATOM 630 CG1 ILE A 38 -5.024 4.776 2.202 1.00 0.00 C ATOM 631 CG2 ILE A 38 -2.922 3.445 2.190 1.00 0.00 C ATOM 632 CD1 ILE A 38 -4.606 6.065 2.880 1.00 0.00 C ATOM 0 H ILE A 38 -4.747 4.819 -0.972 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.161 6.169 0.992 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.389 3.451 0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.910 4.965 1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.308 4.050 2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.435 2.699 2.797 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.179 2.953 1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.427 4.164 2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.428 6.438 3.491 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.739 5.878 3.513 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.350 6.807 2.124 1.00 0.00 H new ATOM 644 N ILE A 39 -1.771 3.708 -0.765 1.00 0.00 N ATOM 645 CA ILE A 39 -0.483 3.165 -1.172 1.00 0.00 C ATOM 646 C ILE A 39 0.330 4.219 -1.905 1.00 0.00 C ATOM 647 O ILE A 39 1.556 4.260 -1.805 1.00 0.00 O ATOM 648 CB ILE A 39 -0.642 1.921 -2.069 1.00 0.00 C ATOM 649 CG1 ILE A 39 -1.086 2.326 -3.474 1.00 0.00 C ATOM 650 CG2 ILE A 39 -1.635 0.950 -1.452 1.00 0.00 C ATOM 651 CD1 ILE A 39 0.064 2.474 -4.443 1.00 0.00 C ATOM 0 H ILE A 39 -2.580 3.226 -1.156 1.00 0.00 H new ATOM 0 HA ILE A 39 0.041 2.865 -0.265 1.00 0.00 H new ATOM 0 HB ILE A 39 0.325 1.423 -2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.782 1.580 -3.857 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.629 3.269 -3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.738 0.076 -2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.277 0.638 -0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.604 1.438 -1.346 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.320 2.763 -5.422 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.749 3.241 -4.081 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.594 1.525 -4.527 1.00 0.00 H new ATOM 663 N GLU A 40 -0.367 5.080 -2.636 1.00 0.00 N ATOM 664 CA GLU A 40 0.286 6.141 -3.374 1.00 0.00 C ATOM 665 C GLU A 40 0.652 7.280 -2.432 1.00 0.00 C ATOM 666 O GLU A 40 1.595 8.028 -2.690 1.00 0.00 O ATOM 667 CB GLU A 40 -0.609 6.647 -4.508 1.00 0.00 C ATOM 668 CG GLU A 40 0.157 7.265 -5.664 1.00 0.00 C ATOM 669 CD GLU A 40 -0.120 8.746 -5.827 1.00 0.00 C ATOM 670 OE1 GLU A 40 0.778 9.471 -6.306 1.00 0.00 O ATOM 671 OE2 GLU A 40 -1.237 9.182 -5.476 1.00 0.00 O ATOM 0 H GLU A 40 -1.382 5.060 -2.730 1.00 0.00 H new ATOM 0 HA GLU A 40 1.199 5.744 -3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.208 5.817 -4.883 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.303 7.386 -4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.225 7.115 -5.508 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.106 6.747 -6.586 1.00 0.00 H new ATOM 678 N GLU A 41 -0.075 7.393 -1.318 1.00 0.00 N ATOM 679 CA GLU A 41 0.228 8.431 -0.339 1.00 0.00 C ATOM 680 C GLU A 41 1.329 7.945 0.594 1.00 0.00 C ATOM 681 O GLU A 41 2.131 8.733 1.095 1.00 0.00 O ATOM 682 CB GLU A 41 -1.014 8.810 0.471 1.00 0.00 C ATOM 683 CG GLU A 41 -1.576 10.179 0.122 1.00 0.00 C ATOM 684 CD GLU A 41 -2.900 10.101 -0.611 1.00 0.00 C ATOM 685 OE1 GLU A 41 -3.854 9.518 -0.055 1.00 0.00 O ATOM 686 OE2 GLU A 41 -2.983 10.625 -1.743 1.00 0.00 O ATOM 0 H GLU A 41 -0.862 6.790 -1.077 1.00 0.00 H new ATOM 0 HA GLU A 41 0.564 9.320 -0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.786 8.058 0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.766 8.789 1.532 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.706 10.757 1.037 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.855 10.716 -0.495 1.00 0.00 H new ATOM 693 N ALA A 42 1.362 6.633 0.814 1.00 0.00 N ATOM 694 CA ALA A 42 2.363 6.029 1.679 1.00 0.00 C ATOM 695 C ALA A 42 3.708 5.952 0.969 1.00 0.00 C ATOM 696 O ALA A 42 4.749 6.259 1.551 1.00 0.00 O ATOM 697 CB ALA A 42 1.915 4.642 2.115 1.00 0.00 C ATOM 0 H ALA A 42 0.705 5.970 0.403 1.00 0.00 H new ATOM 0 HA ALA A 42 2.477 6.654 2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.673 4.201 2.762 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.974 4.718 2.659 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.777 4.012 1.237 1.00 0.00 H new ATOM 703 N VAL A 43 3.677 5.541 -0.295 1.00 0.00 N ATOM 704 CA VAL A 43 4.890 5.424 -1.095 1.00 0.00 C ATOM 705 C VAL A 43 5.712 6.695 -1.028 1.00 0.00 C ATOM 706 O VAL A 43 6.848 6.699 -0.555 1.00 0.00 O ATOM 707 CB VAL A 43 4.566 5.132 -2.582 1.00 0.00 C ATOM 708 CG1 VAL A 43 3.466 6.032 -3.099 1.00 0.00 C ATOM 709 CG2 VAL A 43 5.799 5.291 -3.450 1.00 0.00 C ATOM 0 H VAL A 43 2.822 5.283 -0.788 1.00 0.00 H new ATOM 0 HA VAL A 43 5.458 4.592 -0.678 1.00 0.00 H new ATOM 0 HB VAL A 43 4.223 4.099 -2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.266 5.798 -4.145 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.561 5.874 -2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.777 7.073 -3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.543 5.080 -4.488 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.172 6.312 -3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.570 4.595 -3.118 1.00 0.00 H new ATOM 719 N VAL A 44 5.119 7.764 -1.510 1.00 0.00 N ATOM 720 CA VAL A 44 5.764 9.059 -1.527 1.00 0.00 C ATOM 721 C VAL A 44 6.184 9.459 -0.122 1.00 0.00 C ATOM 722 O VAL A 44 7.330 9.837 0.114 1.00 0.00 O ATOM 723 CB VAL A 44 4.820 10.119 -2.127 1.00 0.00 C ATOM 724 CG1 VAL A 44 4.931 11.459 -1.406 1.00 0.00 C ATOM 725 CG2 VAL A 44 5.079 10.286 -3.616 1.00 0.00 C ATOM 0 H VAL A 44 4.177 7.761 -1.901 1.00 0.00 H new ATOM 0 HA VAL A 44 6.656 8.995 -2.150 1.00 0.00 H new ATOM 0 HB VAL A 44 3.800 9.761 -1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.248 12.175 -1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.672 11.329 -0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.953 11.831 -1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.402 11.039 -4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.110 10.603 -3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.910 9.336 -4.123 1.00 0.00 H new ATOM 735 N MET A 45 5.249 9.369 0.809 1.00 0.00 N ATOM 736 CA MET A 45 5.527 9.722 2.189 1.00 0.00 C ATOM 737 C MET A 45 6.672 8.885 2.744 1.00 0.00 C ATOM 738 O MET A 45 7.415 9.345 3.609 1.00 0.00 O ATOM 739 CB MET A 45 4.277 9.551 3.055 1.00 0.00 C ATOM 740 CG MET A 45 4.488 9.919 4.516 1.00 0.00 C ATOM 741 SD MET A 45 5.333 11.498 4.731 1.00 0.00 S ATOM 742 CE MET A 45 5.427 11.592 6.517 1.00 0.00 C ATOM 0 H MET A 45 4.294 9.055 0.634 1.00 0.00 H new ATOM 0 HA MET A 45 5.824 10.770 2.213 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.476 10.167 2.647 1.00 0.00 H new ATOM 0 HB3 MET A 45 3.944 8.515 2.995 1.00 0.00 H new ATOM 0 HG2 MET A 45 3.521 9.959 5.018 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.067 9.134 5.003 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.916 12.491 6.861 1.00 0.00 H new ATOM 0 HE2 MET A 45 4.951 10.714 6.953 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.472 11.628 6.825 1.00 0.00 H new ATOM 752 N TRP A 46 6.826 7.660 2.240 1.00 0.00 N ATOM 753 CA TRP A 46 7.906 6.804 2.707 1.00 0.00 C ATOM 754 C TRP A 46 9.234 7.310 2.172 1.00 0.00 C ATOM 755 O TRP A 46 10.173 7.526 2.932 1.00 0.00 O ATOM 756 CB TRP A 46 7.679 5.349 2.288 1.00 0.00 C ATOM 757 CG TRP A 46 8.819 4.444 2.647 1.00 0.00 C ATOM 758 CD1 TRP A 46 9.423 3.526 1.836 1.00 0.00 C ATOM 759 CD2 TRP A 46 9.497 4.372 3.908 1.00 0.00 C ATOM 760 NE1 TRP A 46 10.432 2.886 2.515 1.00 0.00 N ATOM 761 CE2 TRP A 46 10.497 3.388 3.789 1.00 0.00 C ATOM 762 CE3 TRP A 46 9.355 5.044 5.126 1.00 0.00 C ATOM 763 CZ2 TRP A 46 11.349 3.061 4.840 1.00 0.00 C ATOM 764 CZ3 TRP A 46 10.202 4.718 6.169 1.00 0.00 C ATOM 765 CH2 TRP A 46 11.188 3.735 6.020 1.00 0.00 C ATOM 0 H TRP A 46 6.228 7.249 1.523 1.00 0.00 H new ATOM 0 HA TRP A 46 7.924 6.837 3.796 1.00 0.00 H new ATOM 0 HB2 TRP A 46 6.769 4.980 2.760 1.00 0.00 H new ATOM 0 HB3 TRP A 46 7.518 5.309 1.211 1.00 0.00 H new ATOM 0 HD1 TRP A 46 9.148 3.331 0.810 1.00 0.00 H new ATOM 0 HE1 TRP A 46 11.034 2.157 2.133 1.00 0.00 H new ATOM 0 HE3 TRP A 46 8.598 5.804 5.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 12.110 2.303 4.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 10.101 5.230 7.115 1.00 0.00 H new ATOM 0 HH2 TRP A 46 11.835 3.504 6.854 1.00 0.00 H new ATOM 776 N LEU A 47 9.304 7.520 0.864 1.00 0.00 N ATOM 777 CA LEU A 47 10.523 8.032 0.254 1.00 0.00 C ATOM 778 C LEU A 47 10.836 9.404 0.812 1.00 0.00 C ATOM 779 O LEU A 47 11.971 9.714 1.167 1.00 0.00 O ATOM 780 CB LEU A 47 10.393 8.162 -1.264 1.00 0.00 C ATOM 781 CG LEU A 47 9.007 8.531 -1.792 1.00 0.00 C ATOM 782 CD1 LEU A 47 8.933 10.029 -2.038 1.00 0.00 C ATOM 783 CD2 LEU A 47 8.694 7.760 -3.069 1.00 0.00 C ATOM 0 H LEU A 47 8.540 7.346 0.211 1.00 0.00 H new ATOM 0 HA LEU A 47 11.318 7.322 0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.102 8.916 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.691 7.216 -1.716 1.00 0.00 H new ATOM 0 HG LEU A 47 8.261 8.259 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.943 10.287 -2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.116 10.561 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.686 10.315 -2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.703 8.038 -3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.436 8.000 -3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.719 6.690 -2.863 1.00 0.00 H new ATOM 795 N ILE A 48 9.810 10.232 0.867 1.00 0.00 N ATOM 796 CA ILE A 48 9.954 11.578 1.353 1.00 0.00 C ATOM 797 C ILE A 48 10.573 11.602 2.739 1.00 0.00 C ATOM 798 O ILE A 48 11.493 12.376 3.002 1.00 0.00 O ATOM 799 CB ILE A 48 8.587 12.289 1.346 1.00 0.00 C ATOM 800 CG1 ILE A 48 8.600 13.392 0.304 1.00 0.00 C ATOM 801 CG2 ILE A 48 8.231 12.840 2.717 1.00 0.00 C ATOM 802 CD1 ILE A 48 8.577 12.887 -1.121 1.00 0.00 C ATOM 0 H ILE A 48 8.863 9.987 0.577 1.00 0.00 H new ATOM 0 HA ILE A 48 10.631 12.113 0.687 1.00 0.00 H new ATOM 0 HB ILE A 48 7.819 11.559 1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.738 14.040 0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.490 14.004 0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.260 13.334 2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.188 12.023 3.437 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.989 13.559 3.028 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.588 13.734 -1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.453 12.263 -1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.674 12.299 -1.284 1.00 0.00 H new ATOM 814 N GLN A 49 10.066 10.760 3.628 1.00 0.00 N ATOM 815 CA GLN A 49 10.587 10.716 4.977 1.00 0.00 C ATOM 816 C GLN A 49 11.823 9.819 5.078 1.00 0.00 C ATOM 817 O GLN A 49 12.689 10.038 5.924 1.00 0.00 O ATOM 818 CB GLN A 49 9.506 10.239 5.953 1.00 0.00 C ATOM 819 CG GLN A 49 9.230 8.744 5.886 1.00 0.00 C ATOM 820 CD GLN A 49 8.052 8.330 6.746 1.00 0.00 C ATOM 821 OE1 GLN A 49 8.177 8.185 7.962 1.00 0.00 O ATOM 822 NE2 GLN A 49 6.898 8.137 6.117 1.00 0.00 N ATOM 0 H GLN A 49 9.305 10.108 3.439 1.00 0.00 H new ATOM 0 HA GLN A 49 10.888 11.729 5.245 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.807 10.498 6.968 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.581 10.779 5.748 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.038 8.460 4.851 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.118 8.199 6.206 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.839 8.269 5.107 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.071 7.857 6.644 1.00 0.00 H new ATOM 831 N ASN A 50 11.882 8.789 4.234 1.00 0.00 N ATOM 832 CA ASN A 50 12.999 7.843 4.267 1.00 0.00 C ATOM 833 C ASN A 50 14.071 8.135 3.220 1.00 0.00 C ATOM 834 O ASN A 50 15.227 8.382 3.556 1.00 0.00 O ATOM 835 CB ASN A 50 12.481 6.416 4.084 1.00 0.00 C ATOM 836 CG ASN A 50 13.349 5.392 4.787 1.00 0.00 C ATOM 837 OD1 ASN A 50 13.502 5.545 6.097 1.00 0.00 O flip ATOM 838 ND2 ASN A 50 13.877 4.474 4.160 1.00 0.00 N flip ATOM 0 H ASN A 50 11.177 8.589 3.525 1.00 0.00 H new ATOM 0 HA ASN A 50 13.470 7.956 5.243 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.463 6.350 4.468 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.437 6.182 3.020 1.00 0.00 H new ATOM 0 HD21 ASN A 50 13.732 4.395 3.153 1.00 0.00 H new ATOM 0 HD22 ASN A 50 14.459 3.793 4.647 1.00 0.00 H new ATOM 845 N LYS A 51 13.686 8.075 1.952 1.00 0.00 N ATOM 846 CA LYS A 51 14.621 8.301 0.850 1.00 0.00 C ATOM 847 C LYS A 51 15.381 9.615 1.008 1.00 0.00 C ATOM 848 O LYS A 51 16.604 9.652 0.871 1.00 0.00 O ATOM 849 CB LYS A 51 13.889 8.278 -0.494 1.00 0.00 C ATOM 850 CG LYS A 51 13.610 6.874 -1.007 1.00 0.00 C ATOM 851 CD LYS A 51 14.614 6.458 -2.069 1.00 0.00 C ATOM 852 CE LYS A 51 15.729 5.606 -1.481 1.00 0.00 C ATOM 853 NZ LYS A 51 17.007 6.361 -1.365 1.00 0.00 N ATOM 0 H LYS A 51 12.731 7.871 1.657 1.00 0.00 H new ATOM 0 HA LYS A 51 15.348 7.489 0.875 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.945 8.814 -0.394 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.484 8.815 -1.233 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.644 6.169 -0.177 1.00 0.00 H new ATOM 0 HG3 LYS A 51 12.602 6.830 -1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 51 14.104 5.900 -2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 51 15.041 7.346 -2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.430 5.247 -0.496 1.00 0.00 H new ATOM 0 HE3 LYS A 51 15.883 4.728 -2.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 17.781 5.797 -1.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 16.927 7.261 -1.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 17.207 6.553 -0.363 1.00 0.00 H new ATOM 867 N GLU A 52 14.656 10.691 1.289 1.00 0.00 N ATOM 868 CA GLU A 52 15.273 12.004 1.459 1.00 0.00 C ATOM 869 C GLU A 52 16.438 11.945 2.446 1.00 0.00 C ATOM 870 O GLU A 52 17.419 12.676 2.309 1.00 0.00 O ATOM 871 CB GLU A 52 14.235 13.019 1.938 1.00 0.00 C ATOM 872 CG GLU A 52 14.432 14.412 1.361 1.00 0.00 C ATOM 873 CD GLU A 52 15.351 15.269 2.208 1.00 0.00 C ATOM 874 OE1 GLU A 52 15.044 15.467 3.403 1.00 0.00 O ATOM 875 OE2 GLU A 52 16.377 15.744 1.678 1.00 0.00 O ATOM 0 H GLU A 52 13.643 10.682 1.404 1.00 0.00 H new ATOM 0 HA GLU A 52 15.662 12.318 0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.240 12.662 1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.272 13.077 3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.843 14.330 0.355 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.464 14.904 1.270 1.00 0.00 H new ATOM 882 N LYS A 53 16.319 11.072 3.442 1.00 0.00 N ATOM 883 CA LYS A 53 17.357 10.919 4.457 1.00 0.00 C ATOM 884 C LYS A 53 17.812 9.465 4.570 1.00 0.00 C ATOM 885 O LYS A 53 18.226 9.023 5.640 1.00 0.00 O ATOM 886 CB LYS A 53 16.848 11.412 5.813 1.00 0.00 C ATOM 887 CG LYS A 53 15.662 10.620 6.342 1.00 0.00 C ATOM 888 CD LYS A 53 15.886 10.169 7.777 1.00 0.00 C ATOM 889 CE LYS A 53 16.483 8.772 7.837 1.00 0.00 C ATOM 890 NZ LYS A 53 15.787 7.913 8.835 1.00 0.00 N ATOM 0 H LYS A 53 15.513 10.459 3.568 1.00 0.00 H new ATOM 0 HA LYS A 53 18.213 11.521 4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.661 11.361 6.537 1.00 0.00 H new ATOM 0 HB3 LYS A 53 16.564 12.461 5.726 1.00 0.00 H new ATOM 0 HG2 LYS A 53 14.762 11.232 6.289 1.00 0.00 H new ATOM 0 HG3 LYS A 53 15.493 9.749 5.708 1.00 0.00 H new ATOM 0 HD2 LYS A 53 16.550 10.871 8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 53 14.939 10.184 8.316 1.00 0.00 H new ATOM 0 HE2 LYS A 53 16.421 8.308 6.853 1.00 0.00 H new ATOM 0 HE3 LYS A 53 17.541 8.840 8.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.224 6.969 8.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 15.868 8.342 9.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.783 7.827 8.579 1.00 0.00 H new ATOM 904 N LEU A 54 17.724 8.725 3.466 1.00 0.00 N ATOM 905 CA LEU A 54 18.115 7.316 3.452 1.00 0.00 C ATOM 906 C LEU A 54 19.541 7.129 3.965 1.00 0.00 C ATOM 907 O LEU A 54 20.507 7.379 3.242 1.00 0.00 O ATOM 908 CB LEU A 54 18.003 6.750 2.035 1.00 0.00 C ATOM 909 CG LEU A 54 18.153 5.230 1.932 1.00 0.00 C ATOM 910 CD1 LEU A 54 16.793 4.554 2.000 1.00 0.00 C ATOM 911 CD2 LEU A 54 18.874 4.850 0.648 1.00 0.00 C ATOM 0 H LEU A 54 17.386 9.077 2.570 1.00 0.00 H new ATOM 0 HA LEU A 54 17.437 6.778 4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 54 17.035 7.033 1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 54 18.765 7.218 1.412 1.00 0.00 H new ATOM 0 HG LEU A 54 18.751 4.886 2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 54 16.919 3.474 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 54 16.312 4.798 2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.171 4.904 1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 54 18.971 3.766 0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 54 18.303 5.207 -0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 54 19.865 5.304 0.639 1.00 0.00 H new ATOM 923 N PRO A 55 19.694 6.683 5.227 1.00 0.00 N ATOM 924 CA PRO A 55 21.006 6.462 5.839 1.00 0.00 C ATOM 925 C PRO A 55 21.687 5.205 5.309 1.00 0.00 C ATOM 926 O PRO A 55 21.033 4.308 4.778 1.00 0.00 O ATOM 927 CB PRO A 55 20.693 6.295 7.337 1.00 0.00 C ATOM 928 CG PRO A 55 19.246 6.638 7.491 1.00 0.00 C ATOM 929 CD PRO A 55 18.611 6.361 6.161 1.00 0.00 C ATOM 0 HA PRO A 55 21.690 7.282 5.621 1.00 0.00 H new ATOM 0 HB2 PRO A 55 20.890 5.275 7.666 1.00 0.00 H new ATOM 0 HB3 PRO A 55 21.317 6.952 7.943 1.00 0.00 H new ATOM 0 HG2 PRO A 55 18.785 6.039 8.276 1.00 0.00 H new ATOM 0 HG3 PRO A 55 19.121 7.683 7.773 1.00 0.00 H new ATOM 0 HD2 PRO A 55 18.291 5.323 6.071 1.00 0.00 H new ATOM 0 HD3 PRO A 55 17.731 6.982 5.993 1.00 0.00 H new ATOM 937 N ASN A 56 23.005 5.141 5.470 1.00 0.00 N ATOM 938 CA ASN A 56 23.772 3.986 5.022 1.00 0.00 C ATOM 939 C ASN A 56 23.566 2.807 5.970 1.00 0.00 C ATOM 940 O ASN A 56 23.697 1.649 5.576 1.00 0.00 O ATOM 941 CB ASN A 56 25.259 4.335 4.936 1.00 0.00 C ATOM 942 CG ASN A 56 25.975 3.555 3.851 1.00 0.00 C ATOM 943 OD1 ASN A 56 25.894 2.327 3.798 1.00 0.00 O ATOM 944 ND2 ASN A 56 26.680 4.264 2.979 1.00 0.00 N ATOM 0 H ASN A 56 23.563 5.875 5.907 1.00 0.00 H new ATOM 0 HA ASN A 56 23.419 3.703 4.030 1.00 0.00 H new ATOM 0 HB2 ASN A 56 25.368 5.402 4.744 1.00 0.00 H new ATOM 0 HB3 ASN A 56 25.733 4.134 5.897 1.00 0.00 H new ATOM 0 HD21 ASN A 56 27.183 3.793 2.227 1.00 0.00 H new ATOM 0 HD22 ASN A 56 26.719 5.280 3.061 1.00 0.00 H new ATOM 951 N GLU A 57 23.240 3.116 7.224 1.00 0.00 N ATOM 952 CA GLU A 57 23.012 2.090 8.234 1.00 0.00 C ATOM 953 C GLU A 57 21.611 1.493 8.111 1.00 0.00 C ATOM 954 O GLU A 57 21.326 0.439 8.682 1.00 0.00 O ATOM 955 CB GLU A 57 23.207 2.674 9.635 1.00 0.00 C ATOM 956 CG GLU A 57 22.163 3.713 10.013 1.00 0.00 C ATOM 957 CD GLU A 57 22.718 5.124 10.023 1.00 0.00 C ATOM 958 OE1 GLU A 57 22.878 5.707 8.930 1.00 0.00 O ATOM 959 OE2 GLU A 57 22.994 5.646 11.124 1.00 0.00 O ATOM 0 H GLU A 57 23.128 4.071 7.563 1.00 0.00 H new ATOM 0 HA GLU A 57 23.738 1.293 8.071 1.00 0.00 H new ATOM 0 HB2 GLU A 57 23.182 1.864 10.364 1.00 0.00 H new ATOM 0 HB3 GLU A 57 24.197 3.127 9.696 1.00 0.00 H new ATOM 0 HG2 GLU A 57 21.332 3.659 9.310 1.00 0.00 H new ATOM 0 HG3 GLU A 57 21.763 3.478 10.999 1.00 0.00 H new ATOM 966 N LEU A 58 20.736 2.171 7.373 1.00 0.00 N ATOM 967 CA LEU A 58 19.369 1.700 7.186 1.00 0.00 C ATOM 968 C LEU A 58 19.292 0.647 6.087 1.00 0.00 C ATOM 969 O LEU A 58 18.328 -0.116 6.019 1.00 0.00 O ATOM 970 CB LEU A 58 18.441 2.868 6.850 1.00 0.00 C ATOM 971 CG LEU A 58 17.213 2.997 7.756 1.00 0.00 C ATOM 972 CD1 LEU A 58 17.454 4.036 8.839 1.00 0.00 C ATOM 973 CD2 LEU A 58 15.981 3.351 6.937 1.00 0.00 C ATOM 0 H LEU A 58 20.950 3.047 6.896 1.00 0.00 H new ATOM 0 HA LEU A 58 19.046 1.244 8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 58 19.013 3.794 6.903 1.00 0.00 H new ATOM 0 HB3 LEU A 58 18.104 2.760 5.819 1.00 0.00 H new ATOM 0 HG LEU A 58 17.039 2.035 8.239 1.00 0.00 H new ATOM 0 HD11 LEU A 58 16.570 4.113 9.472 1.00 0.00 H new ATOM 0 HD12 LEU A 58 18.310 3.738 9.445 1.00 0.00 H new ATOM 0 HD13 LEU A 58 17.655 5.003 8.377 1.00 0.00 H new ATOM 0 HD21 LEU A 58 15.118 3.439 7.597 1.00 0.00 H new ATOM 0 HD22 LEU A 58 16.144 4.300 6.426 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.797 2.569 6.201 1.00 0.00 H new ATOM 985 N LYS A 59 20.313 0.605 5.227 1.00 0.00 N ATOM 986 CA LYS A 59 20.359 -0.362 4.131 1.00 0.00 C ATOM 987 C LYS A 59 19.850 -1.732 4.583 1.00 0.00 C ATOM 988 O LYS A 59 18.961 -2.305 3.955 1.00 0.00 O ATOM 989 CB LYS A 59 21.784 -0.478 3.581 1.00 0.00 C ATOM 990 CG LYS A 59 21.923 -1.490 2.454 1.00 0.00 C ATOM 991 CD LYS A 59 22.541 -2.790 2.945 1.00 0.00 C ATOM 992 CE LYS A 59 24.058 -2.743 2.880 1.00 0.00 C ATOM 993 NZ LYS A 59 24.677 -3.936 3.522 1.00 0.00 N ATOM 0 H LYS A 59 21.118 1.230 5.270 1.00 0.00 H new ATOM 0 HA LYS A 59 19.704 -0.003 3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 59 22.106 0.499 3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.456 -0.757 4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 59 20.943 -1.692 2.022 1.00 0.00 H new ATOM 0 HG3 LYS A 59 22.540 -1.070 1.660 1.00 0.00 H new ATOM 0 HD2 LYS A 59 22.225 -2.980 3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 59 22.175 -3.620 2.340 1.00 0.00 H new ATOM 0 HE2 LYS A 59 24.375 -2.685 1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 59 24.415 -1.839 3.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 25.713 -3.867 3.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 24.395 -3.978 4.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 24.356 -4.798 3.036 1.00 0.00 H new ATOM 1007 N PRO A 60 20.393 -2.273 5.690 1.00 0.00 N ATOM 1008 CA PRO A 60 19.962 -3.570 6.214 1.00 0.00 C ATOM 1009 C PRO A 60 18.577 -3.493 6.844 1.00 0.00 C ATOM 1010 O PRO A 60 17.833 -4.474 6.852 1.00 0.00 O ATOM 1011 CB PRO A 60 21.017 -3.896 7.271 1.00 0.00 C ATOM 1012 CG PRO A 60 21.510 -2.568 7.728 1.00 0.00 C ATOM 1013 CD PRO A 60 21.454 -1.668 6.523 1.00 0.00 C ATOM 0 HA PRO A 60 19.883 -4.326 5.433 1.00 0.00 H new ATOM 0 HB2 PRO A 60 20.589 -4.466 8.096 1.00 0.00 H new ATOM 0 HB3 PRO A 60 21.825 -4.497 6.853 1.00 0.00 H new ATOM 0 HG2 PRO A 60 20.890 -2.178 8.535 1.00 0.00 H new ATOM 0 HG3 PRO A 60 22.527 -2.641 8.114 1.00 0.00 H new ATOM 0 HD2 PRO A 60 21.211 -0.642 6.799 1.00 0.00 H new ATOM 0 HD3 PRO A 60 22.409 -1.640 5.998 1.00 0.00 H new ATOM 1021 N LYS A 61 18.230 -2.318 7.363 1.00 0.00 N ATOM 1022 CA LYS A 61 16.926 -2.120 7.982 1.00 0.00 C ATOM 1023 C LYS A 61 15.818 -2.268 6.947 1.00 0.00 C ATOM 1024 O LYS A 61 14.688 -2.618 7.282 1.00 0.00 O ATOM 1025 CB LYS A 61 16.838 -0.748 8.652 1.00 0.00 C ATOM 1026 CG LYS A 61 15.652 -0.615 9.596 1.00 0.00 C ATOM 1027 CD LYS A 61 14.418 -0.102 8.870 1.00 0.00 C ATOM 1028 CE LYS A 61 14.191 1.378 9.131 1.00 0.00 C ATOM 1029 NZ LYS A 61 13.086 1.608 10.102 1.00 0.00 N ATOM 0 H LYS A 61 18.831 -1.494 7.367 1.00 0.00 H new ATOM 0 HA LYS A 61 16.799 -2.884 8.749 1.00 0.00 H new ATOM 0 HB2 LYS A 61 17.758 -0.562 9.207 1.00 0.00 H new ATOM 0 HB3 LYS A 61 16.769 0.021 7.882 1.00 0.00 H new ATOM 0 HG2 LYS A 61 15.434 -1.583 10.047 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.907 0.065 10.409 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.529 -0.270 7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.544 -0.667 9.193 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.109 1.824 9.514 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.960 1.881 8.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.635 2.524 9.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.382 0.848 10.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.469 1.613 11.069 1.00 0.00 H new ATOM 1043 N ILE A 62 16.148 -2.020 5.681 1.00 0.00 N ATOM 1044 CA ILE A 62 15.168 -2.157 4.611 1.00 0.00 C ATOM 1045 C ILE A 62 14.516 -3.534 4.703 1.00 0.00 C ATOM 1046 O ILE A 62 13.315 -3.691 4.470 1.00 0.00 O ATOM 1047 CB ILE A 62 15.822 -1.949 3.222 1.00 0.00 C ATOM 1048 CG1 ILE A 62 15.748 -0.474 2.824 1.00 0.00 C ATOM 1049 CG2 ILE A 62 15.163 -2.819 2.157 1.00 0.00 C ATOM 1050 CD1 ILE A 62 16.338 0.461 3.859 1.00 0.00 C ATOM 0 H ILE A 62 17.076 -1.727 5.375 1.00 0.00 H new ATOM 0 HA ILE A 62 14.405 -1.387 4.728 1.00 0.00 H new ATOM 0 HB ILE A 62 16.867 -2.250 3.294 1.00 0.00 H new ATOM 0 HG12 ILE A 62 16.272 -0.334 1.879 1.00 0.00 H new ATOM 0 HG13 ILE A 62 14.706 -0.204 2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 62 15.647 -2.647 1.196 1.00 0.00 H new ATOM 0 HG22 ILE A 62 15.264 -3.869 2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 62 14.106 -2.564 2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 62 16.252 1.490 3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 62 15.799 0.350 4.800 1.00 0.00 H new ATOM 0 HD13 ILE A 62 17.389 0.217 4.013 1.00 0.00 H new ATOM 1062 N ASP A 63 15.320 -4.520 5.095 1.00 0.00 N ATOM 1063 CA ASP A 63 14.830 -5.872 5.273 1.00 0.00 C ATOM 1064 C ASP A 63 13.852 -5.879 6.435 1.00 0.00 C ATOM 1065 O ASP A 63 12.799 -6.511 6.377 1.00 0.00 O ATOM 1066 CB ASP A 63 15.996 -6.829 5.542 1.00 0.00 C ATOM 1067 CG ASP A 63 16.044 -7.974 4.550 1.00 0.00 C ATOM 1068 OD1 ASP A 63 16.656 -7.804 3.474 1.00 0.00 O ATOM 1069 OD2 ASP A 63 15.469 -9.042 4.849 1.00 0.00 O ATOM 0 H ASP A 63 16.313 -4.401 5.294 1.00 0.00 H new ATOM 0 HA ASP A 63 14.326 -6.209 4.367 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.934 -6.275 5.500 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.908 -7.230 6.552 1.00 0.00 H new ATOM 1074 N GLU A 64 14.204 -5.130 7.480 1.00 0.00 N ATOM 1075 CA GLU A 64 13.357 -5.006 8.656 1.00 0.00 C ATOM 1076 C GLU A 64 12.016 -4.403 8.256 1.00 0.00 C ATOM 1077 O GLU A 64 10.962 -4.876 8.663 1.00 0.00 O ATOM 1078 CB GLU A 64 14.037 -4.136 9.717 1.00 0.00 C ATOM 1079 CG GLU A 64 15.060 -4.886 10.554 1.00 0.00 C ATOM 1080 CD GLU A 64 16.359 -5.127 9.811 1.00 0.00 C ATOM 1081 OE1 GLU A 64 17.389 -4.542 10.210 1.00 0.00 O ATOM 1082 OE2 GLU A 64 16.348 -5.899 8.830 1.00 0.00 O ATOM 0 H GLU A 64 15.074 -4.600 7.531 1.00 0.00 H new ATOM 0 HA GLU A 64 13.192 -5.996 9.082 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.527 -3.296 9.226 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.275 -3.720 10.376 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.265 -4.320 11.463 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.640 -5.843 10.863 1.00 0.00 H new ATOM 1089 N ILE A 65 12.072 -3.367 7.427 1.00 0.00 N ATOM 1090 CA ILE A 65 10.868 -2.702 6.936 1.00 0.00 C ATOM 1091 C ILE A 65 9.889 -3.715 6.358 1.00 0.00 C ATOM 1092 O ILE A 65 8.693 -3.651 6.623 1.00 0.00 O ATOM 1093 CB ILE A 65 11.223 -1.660 5.851 1.00 0.00 C ATOM 1094 CG1 ILE A 65 12.209 -0.627 6.403 1.00 0.00 C ATOM 1095 CG2 ILE A 65 9.967 -0.977 5.330 1.00 0.00 C ATOM 1096 CD1 ILE A 65 11.635 0.222 7.517 1.00 0.00 C ATOM 0 H ILE A 65 12.943 -2.967 7.078 1.00 0.00 H new ATOM 0 HA ILE A 65 10.402 -2.196 7.781 1.00 0.00 H new ATOM 0 HB ILE A 65 11.698 -2.179 5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 65 13.096 -1.143 6.771 1.00 0.00 H new ATOM 0 HG13 ILE A 65 12.533 0.024 5.591 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.239 -0.247 4.567 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.300 -1.723 4.897 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.461 -0.471 6.152 1.00 0.00 H new ATOM 0 HD11 ILE A 65 12.389 0.931 7.859 1.00 0.00 H new ATOM 0 HD12 ILE A 65 10.765 0.766 7.149 1.00 0.00 H new ATOM 0 HD13 ILE A 65 11.337 -0.419 8.346 1.00 0.00 H new ATOM 1108 N SER A 66 10.398 -4.642 5.557 1.00 0.00 N ATOM 1109 CA SER A 66 9.546 -5.652 4.939 1.00 0.00 C ATOM 1110 C SER A 66 9.279 -6.837 5.866 1.00 0.00 C ATOM 1111 O SER A 66 8.141 -7.281 5.997 1.00 0.00 O ATOM 1112 CB SER A 66 10.169 -6.143 3.631 1.00 0.00 C ATOM 1113 OG SER A 66 11.407 -6.791 3.866 1.00 0.00 O ATOM 0 H SER A 66 11.387 -4.717 5.321 1.00 0.00 H new ATOM 0 HA SER A 66 8.587 -5.177 4.733 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.484 -6.830 3.134 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.319 -5.300 2.957 1.00 0.00 H new ATOM 0 HG SER A 66 11.707 -6.602 4.780 1.00 0.00 H new ATOM 1387 N LYS B 9 -1.303 -13.229 -3.387 1.00 0.00 N ATOM 1388 CA LYS B 9 -1.141 -11.913 -3.994 1.00 0.00 C ATOM 1389 C LYS B 9 -2.006 -11.791 -5.242 1.00 0.00 C ATOM 1390 O LYS B 9 -2.246 -12.776 -5.940 1.00 0.00 O ATOM 1391 CB LYS B 9 0.329 -11.678 -4.350 1.00 0.00 C ATOM 1392 CG LYS B 9 1.034 -10.714 -3.413 1.00 0.00 C ATOM 1393 CD LYS B 9 2.093 -11.414 -2.574 1.00 0.00 C ATOM 1394 CE LYS B 9 1.475 -12.417 -1.614 1.00 0.00 C ATOM 1395 NZ LYS B 9 1.645 -12.004 -0.193 1.00 0.00 N ATOM 0 HA LYS B 9 -1.459 -11.157 -3.276 1.00 0.00 H new ATOM 0 HB2 LYS B 9 0.854 -12.633 -4.338 1.00 0.00 H new ATOM 0 HB3 LYS B 9 0.391 -11.293 -5.368 1.00 0.00 H new ATOM 0 HG2 LYS B 9 1.499 -9.917 -3.994 1.00 0.00 H new ATOM 0 HG3 LYS B 9 0.302 -10.245 -2.756 1.00 0.00 H new ATOM 0 HD2 LYS B 9 2.798 -11.924 -3.230 1.00 0.00 H new ATOM 0 HD3 LYS B 9 2.660 -10.673 -2.011 1.00 0.00 H new ATOM 0 HE2 LYS B 9 0.413 -12.525 -1.836 1.00 0.00 H new ATOM 0 HE3 LYS B 9 1.934 -13.394 -1.765 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 1.069 -12.618 0.418 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 2.646 -12.089 0.076 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 1.338 -11.017 -0.079 1.00 0.00 H new ATOM 1409 N LYS B 10 -2.485 -10.582 -5.508 1.00 0.00 N ATOM 1410 CA LYS B 10 -3.342 -10.342 -6.663 1.00 0.00 C ATOM 1411 C LYS B 10 -2.769 -9.255 -7.570 1.00 0.00 C ATOM 1412 O LYS B 10 -2.223 -8.265 -7.095 1.00 0.00 O ATOM 1413 CB LYS B 10 -4.730 -9.927 -6.185 1.00 0.00 C ATOM 1414 CG LYS B 10 -5.550 -11.063 -5.593 1.00 0.00 C ATOM 1415 CD LYS B 10 -6.297 -10.615 -4.341 1.00 0.00 C ATOM 1416 CE LYS B 10 -7.660 -11.281 -4.240 1.00 0.00 C ATOM 1417 NZ LYS B 10 -8.567 -10.548 -3.315 1.00 0.00 N ATOM 0 H LYS B 10 -2.296 -9.755 -4.942 1.00 0.00 H new ATOM 0 HA LYS B 10 -3.402 -11.265 -7.240 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -4.625 -9.141 -5.437 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -5.278 -9.497 -7.024 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -6.263 -11.424 -6.334 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -4.894 -11.898 -5.348 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -5.706 -10.856 -3.457 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -6.420 -9.532 -4.357 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -8.114 -11.332 -5.230 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -7.538 -12.307 -3.892 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -9.486 -11.033 -3.273 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -8.146 -10.521 -2.364 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -8.704 -9.577 -3.660 1.00 0.00 H new ATOM 1431 N LYS B 11 -2.913 -9.428 -8.878 1.00 0.00 N ATOM 1432 CA LYS B 11 -2.417 -8.432 -9.821 1.00 0.00 C ATOM 1433 C LYS B 11 -3.257 -7.165 -9.727 1.00 0.00 C ATOM 1434 O LYS B 11 -4.410 -7.141 -10.157 1.00 0.00 O ATOM 1435 CB LYS B 11 -2.450 -8.975 -11.250 1.00 0.00 C ATOM 1436 CG LYS B 11 -1.821 -10.350 -11.395 1.00 0.00 C ATOM 1437 CD LYS B 11 -0.304 -10.281 -11.304 1.00 0.00 C ATOM 1438 CE LYS B 11 0.289 -11.611 -10.868 1.00 0.00 C ATOM 1439 NZ LYS B 11 -0.320 -12.758 -11.596 1.00 0.00 N ATOM 0 H LYS B 11 -3.363 -10.237 -9.306 1.00 0.00 H new ATOM 0 HA LYS B 11 -1.384 -8.199 -9.565 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -3.485 -9.021 -11.588 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -1.931 -8.277 -11.907 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -2.204 -11.010 -10.617 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -2.110 -10.784 -12.352 1.00 0.00 H new ATOM 0 HD2 LYS B 11 0.107 -9.998 -12.273 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -0.016 -9.504 -10.596 1.00 0.00 H new ATOM 0 HE2 LYS B 11 1.365 -11.602 -11.041 1.00 0.00 H new ATOM 0 HE3 LYS B 11 0.139 -11.741 -9.796 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 0.270 -13.604 -11.466 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -1.273 -12.940 -11.222 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -0.383 -12.532 -12.609 1.00 0.00 H new ATOM 1453 N THR B 12 -2.681 -6.115 -9.151 1.00 0.00 N ATOM 1454 CA THR B 12 -3.392 -4.852 -8.991 1.00 0.00 C ATOM 1455 C THR B 12 -2.717 -3.733 -9.776 1.00 0.00 C ATOM 1456 O THR B 12 -1.493 -3.611 -9.767 1.00 0.00 O ATOM 1457 CB THR B 12 -3.476 -4.476 -7.509 1.00 0.00 C ATOM 1458 OG1 THR B 12 -4.292 -5.395 -6.804 1.00 0.00 O ATOM 1459 CG2 THR B 12 -4.033 -3.088 -7.265 1.00 0.00 C ATOM 0 H THR B 12 -1.728 -6.113 -8.789 1.00 0.00 H new ATOM 0 HA THR B 12 -4.400 -4.983 -9.386 1.00 0.00 H new ATOM 0 HB THR B 12 -2.447 -4.501 -7.151 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.065 -5.370 -5.851 1.00 0.00 H new ATOM 0 HG21 THR B 12 -4.063 -2.891 -6.193 1.00 0.00 H new ATOM 0 HG22 THR B 12 -3.396 -2.350 -7.752 1.00 0.00 H new ATOM 0 HG23 THR B 12 -5.041 -3.023 -7.674 1.00 0.00 H new ATOM 1467 N THR B 13 -3.518 -2.906 -10.444 1.00 0.00 N ATOM 1468 CA THR B 13 -2.976 -1.794 -11.214 1.00 0.00 C ATOM 1469 C THR B 13 -2.866 -0.542 -10.360 1.00 0.00 C ATOM 1470 O THR B 13 -3.798 -0.176 -9.644 1.00 0.00 O ATOM 1471 CB THR B 13 -3.829 -1.494 -12.446 1.00 0.00 C ATOM 1472 OG1 THR B 13 -4.407 -2.677 -12.968 1.00 0.00 O ATOM 1473 CG2 THR B 13 -3.042 -0.832 -13.555 1.00 0.00 C ATOM 0 H THR B 13 -4.535 -2.985 -10.467 1.00 0.00 H new ATOM 0 HA THR B 13 -1.981 -2.092 -11.544 1.00 0.00 H new ATOM 0 HB THR B 13 -4.604 -0.808 -12.104 1.00 0.00 H new ATOM 0 HG1 THR B 13 -4.949 -2.457 -13.754 1.00 0.00 H new ATOM 0 HG21 THR B 13 -3.699 -0.643 -14.404 1.00 0.00 H new ATOM 0 HG22 THR B 13 -2.631 0.112 -13.196 1.00 0.00 H new ATOM 0 HG23 THR B 13 -2.228 -1.487 -13.865 1.00 0.00 H new ATOM 1481 N LEU B 14 -1.722 0.113 -10.455 1.00 0.00 N ATOM 1482 CA LEU B 14 -1.468 1.335 -9.711 1.00 0.00 C ATOM 1483 C LEU B 14 -1.075 2.444 -10.672 1.00 0.00 C ATOM 1484 O LEU B 14 -0.125 2.298 -11.436 1.00 0.00 O ATOM 1485 CB LEU B 14 -0.363 1.102 -8.683 1.00 0.00 C ATOM 1486 CG LEU B 14 -0.491 1.907 -7.393 1.00 0.00 C ATOM 1487 CD1 LEU B 14 -0.566 3.397 -7.698 1.00 0.00 C ATOM 1488 CD2 LEU B 14 -1.710 1.454 -6.608 1.00 0.00 C ATOM 0 H LEU B 14 -0.946 -0.185 -11.047 1.00 0.00 H new ATOM 0 HA LEU B 14 -2.374 1.631 -9.182 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -0.343 0.042 -8.430 1.00 0.00 H new ATOM 0 HB3 LEU B 14 0.596 1.338 -9.145 1.00 0.00 H new ATOM 0 HG LEU B 14 0.395 1.731 -6.783 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -0.657 3.955 -6.766 1.00 0.00 H new ATOM 0 HD12 LEU B 14 0.339 3.708 -8.220 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -1.434 3.596 -8.327 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -1.789 2.037 -5.690 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -2.606 1.602 -7.210 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -1.611 0.397 -6.359 1.00 0.00 H new ATOM 1500 N ALA B 15 -1.823 3.538 -10.662 1.00 0.00 N ATOM 1501 CA ALA B 15 -1.547 4.635 -11.578 1.00 0.00 C ATOM 1502 C ALA B 15 -0.529 5.630 -11.025 1.00 0.00 C ATOM 1503 O ALA B 15 -0.873 6.553 -10.286 1.00 0.00 O ATOM 1504 CB ALA B 15 -2.838 5.346 -11.953 1.00 0.00 C ATOM 0 H ALA B 15 -2.616 3.689 -10.038 1.00 0.00 H new ATOM 0 HA ALA B 15 -1.101 4.197 -12.471 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -2.617 6.164 -12.638 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -3.515 4.641 -12.436 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -3.309 5.743 -11.054 1.00 0.00 H new ATOM 1510 N PHE B 16 0.724 5.437 -11.420 1.00 0.00 N ATOM 1511 CA PHE B 16 1.826 6.302 -11.017 1.00 0.00 C ATOM 1512 C PHE B 16 3.111 5.798 -11.635 1.00 0.00 C ATOM 1513 O PHE B 16 3.126 4.762 -12.284 1.00 0.00 O ATOM 1514 CB PHE B 16 1.974 6.400 -9.494 1.00 0.00 C ATOM 1515 CG PHE B 16 2.178 5.083 -8.784 1.00 0.00 C ATOM 1516 CD1 PHE B 16 2.269 5.049 -7.400 1.00 0.00 C ATOM 1517 CD2 PHE B 16 2.289 3.888 -9.483 1.00 0.00 C ATOM 1518 CE1 PHE B 16 2.469 3.858 -6.730 1.00 0.00 C ATOM 1519 CE2 PHE B 16 2.488 2.694 -8.816 1.00 0.00 C ATOM 1520 CZ PHE B 16 2.579 2.679 -7.438 1.00 0.00 C ATOM 0 H PHE B 16 1.005 4.671 -12.032 1.00 0.00 H new ATOM 0 HA PHE B 16 1.604 7.307 -11.376 1.00 0.00 H new ATOM 0 HB2 PHE B 16 2.818 7.052 -9.268 1.00 0.00 H new ATOM 0 HB3 PHE B 16 1.083 6.880 -9.088 1.00 0.00 H new ATOM 0 HD1 PHE B 16 2.182 5.967 -6.838 1.00 0.00 H new ATOM 0 HD2 PHE B 16 2.219 3.892 -10.561 1.00 0.00 H new ATOM 0 HE1 PHE B 16 2.539 3.850 -5.652 1.00 0.00 H new ATOM 0 HE2 PHE B 16 2.572 1.772 -9.373 1.00 0.00 H new ATOM 0 HZ PHE B 16 2.736 1.747 -6.916 1.00 0.00 H new ATOM 1530 N ASP B 17 4.181 6.536 -11.444 1.00 0.00 N ATOM 1531 CA ASP B 17 5.478 6.160 -11.984 1.00 0.00 C ATOM 1532 C ASP B 17 6.357 7.373 -12.061 1.00 0.00 C ATOM 1533 O ASP B 17 7.556 7.310 -11.818 1.00 0.00 O ATOM 1534 CB ASP B 17 5.357 5.540 -13.372 1.00 0.00 C ATOM 1535 CG ASP B 17 5.494 4.030 -13.349 1.00 0.00 C ATOM 1536 OD1 ASP B 17 5.334 3.436 -12.262 1.00 0.00 O ATOM 1537 OD2 ASP B 17 5.762 3.441 -14.417 1.00 0.00 O ATOM 0 H ASP B 17 4.183 7.408 -10.915 1.00 0.00 H new ATOM 0 HA ASP B 17 5.913 5.415 -11.318 1.00 0.00 H new ATOM 0 HB2 ASP B 17 4.392 5.807 -13.803 1.00 0.00 H new ATOM 0 HB3 ASP B 17 6.124 5.961 -14.022 1.00 0.00 H new ATOM 1542 N GLU B 18 5.760 8.492 -12.391 1.00 0.00 N ATOM 1543 CA GLU B 18 6.527 9.708 -12.486 1.00 0.00 C ATOM 1544 C GLU B 18 7.379 9.888 -11.231 1.00 0.00 C ATOM 1545 O GLU B 18 8.611 9.872 -11.294 1.00 0.00 O ATOM 1546 CB GLU B 18 5.611 10.911 -12.700 1.00 0.00 C ATOM 1547 CG GLU B 18 4.337 10.863 -11.875 1.00 0.00 C ATOM 1548 CD GLU B 18 4.058 12.167 -11.151 1.00 0.00 C ATOM 1549 OE1 GLU B 18 2.913 12.658 -11.236 1.00 0.00 O ATOM 1550 OE2 GLU B 18 4.984 12.694 -10.501 1.00 0.00 O ATOM 0 H GLU B 18 4.765 8.586 -12.595 1.00 0.00 H new ATOM 0 HA GLU B 18 7.190 9.637 -13.348 1.00 0.00 H new ATOM 0 HB2 GLU B 18 6.158 11.821 -12.455 1.00 0.00 H new ATOM 0 HB3 GLU B 18 5.347 10.972 -13.756 1.00 0.00 H new ATOM 0 HG2 GLU B 18 3.496 10.627 -12.527 1.00 0.00 H new ATOM 0 HG3 GLU B 18 4.411 10.056 -11.146 1.00 0.00 H new ATOM 1557 N ASP B 19 6.718 10.016 -10.085 1.00 0.00 N ATOM 1558 CA ASP B 19 7.424 10.178 -8.822 1.00 0.00 C ATOM 1559 C ASP B 19 7.813 8.834 -8.233 1.00 0.00 C ATOM 1560 O ASP B 19 8.942 8.655 -7.778 1.00 0.00 O ATOM 1561 CB ASP B 19 6.570 10.962 -7.825 1.00 0.00 C ATOM 1562 CG ASP B 19 5.160 10.414 -7.714 1.00 0.00 C ATOM 1563 OD1 ASP B 19 4.969 9.405 -7.004 1.00 0.00 O ATOM 1564 OD2 ASP B 19 4.247 10.994 -8.339 1.00 0.00 O ATOM 0 H ASP B 19 5.701 10.011 -10.006 1.00 0.00 H new ATOM 0 HA ASP B 19 8.337 10.739 -9.022 1.00 0.00 H new ATOM 0 HB2 ASP B 19 7.045 10.936 -6.844 1.00 0.00 H new ATOM 0 HB3 ASP B 19 6.527 12.007 -8.131 1.00 0.00 H new ATOM 1569 N VAL B 20 6.885 7.886 -8.240 1.00 0.00 N ATOM 1570 CA VAL B 20 7.175 6.572 -7.700 1.00 0.00 C ATOM 1571 C VAL B 20 8.252 5.883 -8.527 1.00 0.00 C ATOM 1572 O VAL B 20 9.226 5.396 -7.978 1.00 0.00 O ATOM 1573 CB VAL B 20 5.919 5.683 -7.597 1.00 0.00 C ATOM 1574 CG1 VAL B 20 4.805 6.428 -6.882 1.00 0.00 C ATOM 1575 CG2 VAL B 20 5.457 5.223 -8.967 1.00 0.00 C ATOM 0 H VAL B 20 5.941 8.002 -8.608 1.00 0.00 H new ATOM 0 HA VAL B 20 7.542 6.719 -6.684 1.00 0.00 H new ATOM 0 HB VAL B 20 6.178 4.797 -7.018 1.00 0.00 H new ATOM 0 HG11 VAL B 20 3.924 5.789 -6.816 1.00 0.00 H new ATOM 0 HG12 VAL B 20 5.134 6.698 -5.878 1.00 0.00 H new ATOM 0 HG13 VAL B 20 4.557 7.332 -7.438 1.00 0.00 H new ATOM 0 HG21 VAL B 20 4.570 4.598 -8.861 1.00 0.00 H new ATOM 0 HG22 VAL B 20 5.218 6.091 -9.581 1.00 0.00 H new ATOM 0 HG23 VAL B 20 6.251 4.648 -9.445 1.00 0.00 H new ATOM 1585 N TYR B 21 8.097 5.859 -9.851 1.00 0.00 N ATOM 1586 CA TYR B 21 9.111 5.229 -10.698 1.00 0.00 C ATOM 1587 C TYR B 21 10.455 5.918 -10.496 1.00 0.00 C ATOM 1588 O TYR B 21 11.484 5.250 -10.394 1.00 0.00 O ATOM 1589 CB TYR B 21 8.725 5.236 -12.187 1.00 0.00 C ATOM 1590 CG TYR B 21 9.331 4.093 -12.969 1.00 0.00 C ATOM 1591 CD1 TYR B 21 8.698 2.858 -13.035 1.00 0.00 C ATOM 1592 CD2 TYR B 21 10.537 4.249 -13.640 1.00 0.00 C ATOM 1593 CE1 TYR B 21 9.251 1.812 -13.749 1.00 0.00 C ATOM 1594 CE2 TYR B 21 11.096 3.207 -14.356 1.00 0.00 C ATOM 1595 CZ TYR B 21 10.449 1.991 -14.407 1.00 0.00 C ATOM 1596 OH TYR B 21 11.003 0.951 -15.118 1.00 0.00 O ATOM 0 H TYR B 21 7.302 6.257 -10.350 1.00 0.00 H new ATOM 0 HA TYR B 21 9.184 4.184 -10.396 1.00 0.00 H new ATOM 0 HB2 TYR B 21 7.639 5.191 -12.274 1.00 0.00 H new ATOM 0 HB3 TYR B 21 9.041 6.179 -12.632 1.00 0.00 H new ATOM 0 HD1 TYR B 21 7.760 2.713 -12.520 1.00 0.00 H new ATOM 0 HD2 TYR B 21 11.047 5.200 -13.602 1.00 0.00 H new ATOM 0 HE1 TYR B 21 8.747 0.858 -13.791 1.00 0.00 H new ATOM 0 HE2 TYR B 21 12.034 3.345 -14.873 1.00 0.00 H new ATOM 0 HH TYR B 21 11.846 1.244 -15.522 1.00 0.00 H new ATOM 1606 N HIS B 22 10.455 7.253 -10.417 1.00 0.00 N ATOM 1607 CA HIS B 22 11.702 7.976 -10.201 1.00 0.00 C ATOM 1608 C HIS B 22 12.244 7.680 -8.806 1.00 0.00 C ATOM 1609 O HIS B 22 13.402 7.292 -8.654 1.00 0.00 O ATOM 1610 CB HIS B 22 11.493 9.480 -10.385 1.00 0.00 C ATOM 1611 CG HIS B 22 12.056 10.010 -11.666 1.00 0.00 C ATOM 1612 ND1 HIS B 22 13.379 9.858 -12.027 1.00 0.00 N ATOM 1613 CD2 HIS B 22 11.469 10.696 -12.677 1.00 0.00 C ATOM 1614 CE1 HIS B 22 13.581 10.429 -13.202 1.00 0.00 C ATOM 1615 NE2 HIS B 22 12.438 10.942 -13.617 1.00 0.00 N ATOM 0 H HIS B 22 9.624 7.839 -10.498 1.00 0.00 H new ATOM 0 HA HIS B 22 12.430 7.641 -10.940 1.00 0.00 H new ATOM 0 HB2 HIS B 22 10.425 9.697 -10.350 1.00 0.00 H new ATOM 0 HB3 HIS B 22 11.953 10.007 -9.550 1.00 0.00 H new ATOM 0 HD2 HIS B 22 10.432 10.993 -12.732 1.00 0.00 H new ATOM 0 HE1 HIS B 22 14.521 10.469 -13.732 1.00 0.00 H new ATOM 0 HE2 HIS B 22 12.297 11.441 -14.495 1.00 0.00 H new ATOM 1624 N THR B 23 11.402 7.844 -7.790 1.00 0.00 N ATOM 1625 CA THR B 23 11.818 7.568 -6.420 1.00 0.00 C ATOM 1626 C THR B 23 12.216 6.103 -6.285 1.00 0.00 C ATOM 1627 O THR B 23 13.186 5.765 -5.604 1.00 0.00 O ATOM 1628 CB THR B 23 10.706 7.892 -5.430 1.00 0.00 C ATOM 1629 OG1 THR B 23 9.524 7.179 -5.749 1.00 0.00 O ATOM 1630 CG2 THR B 23 10.358 9.365 -5.377 1.00 0.00 C ATOM 0 H THR B 23 10.438 8.163 -7.888 1.00 0.00 H new ATOM 0 HA THR B 23 12.674 8.203 -6.192 1.00 0.00 H new ATOM 0 HB THR B 23 11.094 7.594 -4.456 1.00 0.00 H new ATOM 0 HG1 THR B 23 9.068 7.620 -6.496 1.00 0.00 H new ATOM 0 HG21 THR B 23 9.559 9.524 -4.652 1.00 0.00 H new ATOM 0 HG22 THR B 23 11.237 9.936 -5.079 1.00 0.00 H new ATOM 0 HG23 THR B 23 10.026 9.696 -6.361 1.00 0.00 H new ATOM 1638 N LEU B 24 11.473 5.236 -6.965 1.00 0.00 N ATOM 1639 CA LEU B 24 11.762 3.812 -6.947 1.00 0.00 C ATOM 1640 C LEU B 24 13.176 3.570 -7.458 1.00 0.00 C ATOM 1641 O LEU B 24 13.760 2.514 -7.225 1.00 0.00 O ATOM 1642 CB LEU B 24 10.755 3.034 -7.802 1.00 0.00 C ATOM 1643 CG LEU B 24 9.636 2.338 -7.018 1.00 0.00 C ATOM 1644 CD1 LEU B 24 10.211 1.521 -5.875 1.00 0.00 C ATOM 1645 CD2 LEU B 24 8.635 3.350 -6.487 1.00 0.00 C ATOM 0 H LEU B 24 10.668 5.497 -7.534 1.00 0.00 H new ATOM 0 HA LEU B 24 11.679 3.456 -5.920 1.00 0.00 H new ATOM 0 HB2 LEU B 24 10.303 3.721 -8.518 1.00 0.00 H new ATOM 0 HB3 LEU B 24 11.295 2.283 -8.378 1.00 0.00 H new ATOM 0 HG LEU B 24 9.117 1.666 -7.701 1.00 0.00 H new ATOM 0 HD11 LEU B 24 9.401 1.035 -5.331 1.00 0.00 H new ATOM 0 HD12 LEU B 24 10.886 0.763 -6.273 1.00 0.00 H new ATOM 0 HD13 LEU B 24 10.760 2.177 -5.199 1.00 0.00 H new ATOM 0 HD21 LEU B 24 7.851 2.831 -5.935 1.00 0.00 H new ATOM 0 HD22 LEU B 24 9.143 4.051 -5.824 1.00 0.00 H new ATOM 0 HD23 LEU B 24 8.192 3.895 -7.320 1.00 0.00 H new ATOM 1657 N LYS B 25 13.716 4.562 -8.162 1.00 0.00 N ATOM 1658 CA LYS B 25 15.052 4.459 -8.714 1.00 0.00 C ATOM 1659 C LYS B 25 16.112 4.384 -7.620 1.00 0.00 C ATOM 1660 O LYS B 25 16.994 3.527 -7.671 1.00 0.00 O ATOM 1661 CB LYS B 25 15.341 5.636 -9.647 1.00 0.00 C ATOM 1662 CG LYS B 25 16.590 5.449 -10.494 1.00 0.00 C ATOM 1663 CD LYS B 25 16.525 4.169 -11.312 1.00 0.00 C ATOM 1664 CE LYS B 25 17.532 3.140 -10.824 1.00 0.00 C ATOM 1665 NZ LYS B 25 17.028 1.748 -10.985 1.00 0.00 N ATOM 0 H LYS B 25 13.244 5.444 -8.360 1.00 0.00 H new ATOM 0 HA LYS B 25 15.096 3.532 -9.286 1.00 0.00 H new ATOM 0 HB2 LYS B 25 14.485 5.786 -10.305 1.00 0.00 H new ATOM 0 HB3 LYS B 25 15.448 6.543 -9.052 1.00 0.00 H new ATOM 0 HG2 LYS B 25 16.709 6.302 -11.162 1.00 0.00 H new ATOM 0 HG3 LYS B 25 17.468 5.425 -9.848 1.00 0.00 H new ATOM 0 HD2 LYS B 25 15.520 3.751 -11.255 1.00 0.00 H new ATOM 0 HD3 LYS B 25 16.716 4.397 -12.361 1.00 0.00 H new ATOM 0 HE2 LYS B 25 18.464 3.254 -11.377 1.00 0.00 H new ATOM 0 HE3 LYS B 25 17.759 3.324 -9.774 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 17.744 1.077 -10.641 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 16.152 1.630 -10.437 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 16.835 1.563 -11.990 1.00 0.00 H new ATOM 1679 N LEU B 26 16.031 5.268 -6.626 1.00 0.00 N ATOM 1680 CA LEU B 26 17.010 5.240 -5.544 1.00 0.00 C ATOM 1681 C LEU B 26 16.772 4.020 -4.676 1.00 0.00 C ATOM 1682 O LEU B 26 17.693 3.267 -4.382 1.00 0.00 O ATOM 1683 CB LEU B 26 16.979 6.508 -4.684 1.00 0.00 C ATOM 1684 CG LEU B 26 16.417 7.749 -5.365 1.00 0.00 C ATOM 1685 CD1 LEU B 26 14.913 7.773 -5.211 1.00 0.00 C ATOM 1686 CD2 LEU B 26 17.042 9.010 -4.782 1.00 0.00 C ATOM 0 H LEU B 26 15.318 5.993 -6.548 1.00 0.00 H new ATOM 0 HA LEU B 26 17.998 5.191 -6.001 1.00 0.00 H new ATOM 0 HB2 LEU B 26 16.388 6.306 -3.791 1.00 0.00 H new ATOM 0 HB3 LEU B 26 17.994 6.726 -4.352 1.00 0.00 H new ATOM 0 HG LEU B 26 16.662 7.716 -6.427 1.00 0.00 H new ATOM 0 HD11 LEU B 26 14.511 8.661 -5.699 1.00 0.00 H new ATOM 0 HD12 LEU B 26 14.486 6.882 -5.671 1.00 0.00 H new ATOM 0 HD13 LEU B 26 14.656 7.793 -4.152 1.00 0.00 H new ATOM 0 HD21 LEU B 26 16.628 9.886 -5.281 1.00 0.00 H new ATOM 0 HD22 LEU B 26 16.825 9.064 -3.715 1.00 0.00 H new ATOM 0 HD23 LEU B 26 18.121 8.984 -4.932 1.00 0.00 H new ATOM 1698 N VAL B 27 15.521 3.824 -4.288 1.00 0.00 N ATOM 1699 CA VAL B 27 15.150 2.677 -3.466 1.00 0.00 C ATOM 1700 C VAL B 27 15.495 1.378 -4.163 1.00 0.00 C ATOM 1701 O VAL B 27 15.979 0.441 -3.537 1.00 0.00 O ATOM 1702 CB VAL B 27 13.651 2.646 -3.129 1.00 0.00 C ATOM 1703 CG1 VAL B 27 13.404 3.064 -1.693 1.00 0.00 C ATOM 1704 CG2 VAL B 27 12.878 3.515 -4.071 1.00 0.00 C ATOM 0 H VAL B 27 14.745 4.442 -4.527 1.00 0.00 H new ATOM 0 HA VAL B 27 15.717 2.783 -2.541 1.00 0.00 H new ATOM 0 HB VAL B 27 13.304 1.619 -3.245 1.00 0.00 H new ATOM 0 HG11 VAL B 27 12.335 3.032 -1.484 1.00 0.00 H new ATOM 0 HG12 VAL B 27 13.926 2.383 -1.021 1.00 0.00 H new ATOM 0 HG13 VAL B 27 13.774 4.078 -1.540 1.00 0.00 H new ATOM 0 HG21 VAL B 27 11.819 3.478 -3.814 1.00 0.00 H new ATOM 0 HG22 VAL B 27 13.235 4.542 -3.994 1.00 0.00 H new ATOM 0 HG23 VAL B 27 13.016 3.158 -5.092 1.00 0.00 H new ATOM 1714 N SER B 28 15.226 1.304 -5.458 1.00 0.00 N ATOM 1715 CA SER B 28 15.506 0.081 -6.180 1.00 0.00 C ATOM 1716 C SER B 28 16.996 -0.227 -6.183 1.00 0.00 C ATOM 1717 O SER B 28 17.399 -1.383 -6.037 1.00 0.00 O ATOM 1718 CB SER B 28 14.972 0.150 -7.611 1.00 0.00 C ATOM 1719 OG SER B 28 13.557 0.067 -7.633 1.00 0.00 O ATOM 0 H SER B 28 14.824 2.058 -6.015 1.00 0.00 H new ATOM 0 HA SER B 28 14.992 -0.729 -5.663 1.00 0.00 H new ATOM 0 HB2 SER B 28 15.292 1.082 -8.077 1.00 0.00 H new ATOM 0 HB3 SER B 28 15.396 -0.663 -8.200 1.00 0.00 H new ATOM 0 HG SER B 28 13.175 0.917 -7.330 1.00 0.00 H new ATOM 1725 N VAL B 29 17.805 0.812 -6.340 1.00 0.00 N ATOM 1726 CA VAL B 29 19.249 0.665 -6.357 1.00 0.00 C ATOM 1727 C VAL B 29 19.784 0.522 -4.938 1.00 0.00 C ATOM 1728 O VAL B 29 20.619 -0.337 -4.653 1.00 0.00 O ATOM 1729 CB VAL B 29 19.896 1.885 -7.054 1.00 0.00 C ATOM 1730 CG1 VAL B 29 20.770 2.691 -6.104 1.00 0.00 C ATOM 1731 CG2 VAL B 29 20.688 1.450 -8.278 1.00 0.00 C ATOM 0 H VAL B 29 17.480 1.772 -6.458 1.00 0.00 H new ATOM 0 HA VAL B 29 19.504 -0.236 -6.915 1.00 0.00 H new ATOM 0 HB VAL B 29 19.085 2.538 -7.378 1.00 0.00 H new ATOM 0 HG11 VAL B 29 21.203 3.537 -6.637 1.00 0.00 H new ATOM 0 HG12 VAL B 29 20.165 3.056 -5.274 1.00 0.00 H new ATOM 0 HG13 VAL B 29 21.569 2.058 -5.719 1.00 0.00 H new ATOM 0 HG21 VAL B 29 21.134 2.324 -8.752 1.00 0.00 H new ATOM 0 HG22 VAL B 29 21.476 0.760 -7.975 1.00 0.00 H new ATOM 0 HG23 VAL B 29 20.023 0.954 -8.985 1.00 0.00 H new ATOM 1741 N TYR B 30 19.299 1.387 -4.059 1.00 0.00 N ATOM 1742 CA TYR B 30 19.723 1.389 -2.666 1.00 0.00 C ATOM 1743 C TYR B 30 19.143 0.206 -1.899 1.00 0.00 C ATOM 1744 O TYR B 30 19.695 -0.200 -0.877 1.00 0.00 O ATOM 1745 CB TYR B 30 19.322 2.697 -1.982 1.00 0.00 C ATOM 1746 CG TYR B 30 20.315 3.819 -2.192 1.00 0.00 C ATOM 1747 CD1 TYR B 30 21.488 3.879 -1.449 1.00 0.00 C ATOM 1748 CD2 TYR B 30 20.080 4.818 -3.128 1.00 0.00 C ATOM 1749 CE1 TYR B 30 22.399 4.901 -1.635 1.00 0.00 C ATOM 1750 CE2 TYR B 30 20.987 5.842 -3.321 1.00 0.00 C ATOM 1751 CZ TYR B 30 22.144 5.880 -2.572 1.00 0.00 C ATOM 1752 OH TYR B 30 23.048 6.900 -2.761 1.00 0.00 O ATOM 0 H TYR B 30 18.607 2.101 -4.288 1.00 0.00 H new ATOM 0 HA TYR B 30 20.809 1.299 -2.659 1.00 0.00 H new ATOM 0 HB2 TYR B 30 18.348 3.010 -2.358 1.00 0.00 H new ATOM 0 HB3 TYR B 30 19.209 2.518 -0.913 1.00 0.00 H new ATOM 0 HD1 TYR B 30 21.691 3.114 -0.714 1.00 0.00 H new ATOM 0 HD2 TYR B 30 19.173 4.794 -3.714 1.00 0.00 H new ATOM 0 HE1 TYR B 30 23.306 4.933 -1.050 1.00 0.00 H new ATOM 0 HE2 TYR B 30 20.791 6.609 -4.055 1.00 0.00 H new ATOM 0 HH TYR B 30 22.718 7.505 -3.458 1.00 0.00 H new ATOM 1762 N LEU B 31 18.032 -0.355 -2.381 1.00 0.00 N ATOM 1763 CA LEU B 31 17.423 -1.489 -1.703 1.00 0.00 C ATOM 1764 C LEU B 31 17.587 -2.762 -2.527 1.00 0.00 C ATOM 1765 O LEU B 31 17.231 -3.850 -2.077 1.00 0.00 O ATOM 1766 CB LEU B 31 15.930 -1.237 -1.427 1.00 0.00 C ATOM 1767 CG LEU B 31 15.549 0.144 -0.855 1.00 0.00 C ATOM 1768 CD1 LEU B 31 14.440 0.000 0.177 1.00 0.00 C ATOM 1769 CD2 LEU B 31 16.745 0.860 -0.242 1.00 0.00 C ATOM 0 H LEU B 31 17.547 -0.046 -3.223 1.00 0.00 H new ATOM 0 HA LEU B 31 17.935 -1.614 -0.749 1.00 0.00 H new ATOM 0 HB2 LEU B 31 15.384 -1.380 -2.359 1.00 0.00 H new ATOM 0 HB3 LEU B 31 15.580 -2.000 -0.732 1.00 0.00 H new ATOM 0 HG LEU B 31 15.193 0.753 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU B 31 14.181 0.982 0.572 1.00 0.00 H new ATOM 0 HD12 LEU B 31 13.562 -0.445 -0.292 1.00 0.00 H new ATOM 0 HD13 LEU B 31 14.781 -0.640 0.991 1.00 0.00 H new ATOM 0 HD21 LEU B 31 16.429 1.828 0.148 1.00 0.00 H new ATOM 0 HD22 LEU B 31 17.153 0.258 0.570 1.00 0.00 H new ATOM 0 HD23 LEU B 31 17.510 1.008 -1.004 1.00 0.00 H new ATOM 1781 N ASN B 32 18.116 -2.623 -3.744 1.00 0.00 N ATOM 1782 CA ASN B 32 18.304 -3.769 -4.625 1.00 0.00 C ATOM 1783 C ASN B 32 16.989 -4.518 -4.764 1.00 0.00 C ATOM 1784 O ASN B 32 16.954 -5.748 -4.811 1.00 0.00 O ATOM 1785 CB ASN B 32 19.387 -4.698 -4.073 1.00 0.00 C ATOM 1786 CG ASN B 32 20.754 -4.403 -4.658 1.00 0.00 C ATOM 1787 OD1 ASN B 32 20.914 -4.306 -5.875 1.00 0.00 O ATOM 1788 ND2 ASN B 32 21.751 -4.261 -3.792 1.00 0.00 N ATOM 0 H ASN B 32 18.419 -1.732 -4.137 1.00 0.00 H new ATOM 0 HA ASN B 32 18.625 -3.417 -5.605 1.00 0.00 H new ATOM 0 HB2 ASN B 32 19.430 -4.598 -2.988 1.00 0.00 H new ATOM 0 HB3 ASN B 32 19.118 -5.732 -4.287 1.00 0.00 H new ATOM 0 HD21 ASN B 32 22.694 -4.064 -4.128 1.00 0.00 H new ATOM 0 HD22 ASN B 32 21.574 -4.349 -2.791 1.00 0.00 H new ATOM 1795 N ARG B 33 15.903 -3.754 -4.802 1.00 0.00 N ATOM 1796 CA ARG B 33 14.567 -4.327 -4.905 1.00 0.00 C ATOM 1797 C ARG B 33 13.842 -3.842 -6.153 1.00 0.00 C ATOM 1798 O ARG B 33 14.233 -2.852 -6.770 1.00 0.00 O ATOM 1799 CB ARG B 33 13.746 -3.955 -3.665 1.00 0.00 C ATOM 1800 CG ARG B 33 14.162 -4.707 -2.413 1.00 0.00 C ATOM 1801 CD ARG B 33 13.584 -4.067 -1.160 1.00 0.00 C ATOM 1802 NE ARG B 33 13.881 -4.845 0.041 1.00 0.00 N ATOM 1803 CZ ARG B 33 13.090 -5.803 0.525 1.00 0.00 C ATOM 1804 NH1 ARG B 33 11.956 -6.114 -0.089 1.00 0.00 N ATOM 1805 NH2 ARG B 33 13.439 -6.453 1.627 1.00 0.00 N ATOM 0 H ARG B 33 15.922 -2.735 -4.763 1.00 0.00 H new ATOM 0 HA ARG B 33 14.675 -5.410 -4.973 1.00 0.00 H new ATOM 0 HB2 ARG B 33 13.841 -2.884 -3.484 1.00 0.00 H new ATOM 0 HB3 ARG B 33 12.693 -4.152 -3.864 1.00 0.00 H new ATOM 0 HG2 ARG B 33 13.828 -5.742 -2.481 1.00 0.00 H new ATOM 0 HG3 ARG B 33 15.250 -4.727 -2.344 1.00 0.00 H new ATOM 0 HD2 ARG B 33 13.987 -3.060 -1.048 1.00 0.00 H new ATOM 0 HD3 ARG B 33 12.504 -3.968 -1.269 1.00 0.00 H new ATOM 0 HE ARG B 33 14.747 -4.643 0.540 1.00 0.00 H new ATOM 0 HH11 ARG B 33 11.683 -5.619 -0.938 1.00 0.00 H new ATOM 0 HH12 ARG B 33 11.357 -6.848 0.288 1.00 0.00 H new ATOM 0 HH21 ARG B 33 14.311 -6.220 2.102 1.00 0.00 H new ATOM 0 HH22 ARG B 33 12.836 -7.186 1.999 1.00 0.00 H new ATOM 1819 N ASP B 34 12.760 -4.532 -6.497 1.00 0.00 N ATOM 1820 CA ASP B 34 11.952 -4.157 -7.645 1.00 0.00 C ATOM 1821 C ASP B 34 10.960 -3.087 -7.218 1.00 0.00 C ATOM 1822 O ASP B 34 10.564 -3.037 -6.053 1.00 0.00 O ATOM 1823 CB ASP B 34 11.214 -5.373 -8.208 1.00 0.00 C ATOM 1824 CG ASP B 34 12.149 -6.529 -8.505 1.00 0.00 C ATOM 1825 OD1 ASP B 34 11.919 -7.632 -7.966 1.00 0.00 O ATOM 1826 OD2 ASP B 34 13.110 -6.333 -9.277 1.00 0.00 O ATOM 0 H ASP B 34 12.424 -5.354 -5.995 1.00 0.00 H new ATOM 0 HA ASP B 34 12.599 -3.767 -8.431 1.00 0.00 H new ATOM 0 HB2 ASP B 34 10.455 -5.696 -7.495 1.00 0.00 H new ATOM 0 HB3 ASP B 34 10.692 -5.087 -9.121 1.00 0.00 H new ATOM 1831 N MET B 35 10.559 -2.225 -8.143 1.00 0.00 N ATOM 1832 CA MET B 35 9.626 -1.164 -7.822 1.00 0.00 C ATOM 1833 C MET B 35 8.399 -1.726 -7.104 1.00 0.00 C ATOM 1834 O MET B 35 7.801 -1.058 -6.263 1.00 0.00 O ATOM 1835 CB MET B 35 9.233 -0.412 -9.097 1.00 0.00 C ATOM 1836 CG MET B 35 7.752 -0.122 -9.202 1.00 0.00 C ATOM 1837 SD MET B 35 7.324 0.839 -10.666 1.00 0.00 S ATOM 1838 CE MET B 35 5.871 1.710 -10.083 1.00 0.00 C ATOM 0 H MET B 35 10.866 -2.243 -9.116 1.00 0.00 H new ATOM 0 HA MET B 35 10.107 -0.458 -7.145 1.00 0.00 H new ATOM 0 HB2 MET B 35 9.782 0.529 -9.137 1.00 0.00 H new ATOM 0 HB3 MET B 35 9.541 -0.998 -9.963 1.00 0.00 H new ATOM 0 HG2 MET B 35 7.203 -1.064 -9.219 1.00 0.00 H new ATOM 0 HG3 MET B 35 7.429 0.419 -8.312 1.00 0.00 H new ATOM 0 HE1 MET B 35 5.002 1.398 -10.663 1.00 0.00 H new ATOM 0 HE2 MET B 35 5.707 1.480 -9.030 1.00 0.00 H new ATOM 0 HE3 MET B 35 6.019 2.784 -10.201 1.00 0.00 H new ATOM 1848 N THR B 36 8.042 -2.965 -7.428 1.00 0.00 N ATOM 1849 CA THR B 36 6.901 -3.613 -6.796 1.00 0.00 C ATOM 1850 C THR B 36 7.266 -4.049 -5.382 1.00 0.00 C ATOM 1851 O THR B 36 6.498 -3.850 -4.443 1.00 0.00 O ATOM 1852 CB THR B 36 6.440 -4.828 -7.615 1.00 0.00 C ATOM 1853 OG1 THR B 36 7.482 -5.287 -8.460 1.00 0.00 O ATOM 1854 CG2 THR B 36 5.227 -4.559 -8.485 1.00 0.00 C ATOM 0 H THR B 36 8.524 -3.537 -8.121 1.00 0.00 H new ATOM 0 HA THR B 36 6.081 -2.896 -6.751 1.00 0.00 H new ATOM 0 HB THR B 36 6.166 -5.579 -6.874 1.00 0.00 H new ATOM 0 HG1 THR B 36 7.506 -4.743 -9.275 1.00 0.00 H new ATOM 0 HG21 THR B 36 4.963 -5.464 -9.032 1.00 0.00 H new ATOM 0 HG22 THR B 36 4.389 -4.257 -7.857 1.00 0.00 H new ATOM 0 HG23 THR B 36 5.456 -3.762 -9.192 1.00 0.00 H new ATOM 1862 N GLU B 37 8.449 -4.634 -5.238 1.00 0.00 N ATOM 1863 CA GLU B 37 8.922 -5.088 -3.936 1.00 0.00 C ATOM 1864 C GLU B 37 9.103 -3.903 -2.993 1.00 0.00 C ATOM 1865 O GLU B 37 8.835 -3.999 -1.797 1.00 0.00 O ATOM 1866 CB GLU B 37 10.241 -5.845 -4.088 1.00 0.00 C ATOM 1867 CG GLU B 37 10.564 -6.751 -2.911 1.00 0.00 C ATOM 1868 CD GLU B 37 10.347 -8.218 -3.228 1.00 0.00 C ATOM 1869 OE1 GLU B 37 10.725 -8.648 -4.338 1.00 0.00 O ATOM 1870 OE2 GLU B 37 9.801 -8.938 -2.365 1.00 0.00 O ATOM 0 H GLU B 37 9.098 -4.805 -6.006 1.00 0.00 H new ATOM 0 HA GLU B 37 8.177 -5.761 -3.511 1.00 0.00 H new ATOM 0 HB2 GLU B 37 10.203 -6.445 -4.997 1.00 0.00 H new ATOM 0 HB3 GLU B 37 11.050 -5.126 -4.214 1.00 0.00 H new ATOM 0 HG2 GLU B 37 11.601 -6.597 -2.613 1.00 0.00 H new ATOM 0 HG3 GLU B 37 9.943 -6.471 -2.060 1.00 0.00 H new ATOM 1877 N ILE B 38 9.554 -2.782 -3.548 1.00 0.00 N ATOM 1878 CA ILE B 38 9.768 -1.566 -2.770 1.00 0.00 C ATOM 1879 C ILE B 38 8.436 -0.900 -2.425 1.00 0.00 C ATOM 1880 O ILE B 38 8.160 -0.601 -1.263 1.00 0.00 O ATOM 1881 CB ILE B 38 10.625 -0.559 -3.557 1.00 0.00 C ATOM 1882 CG1 ILE B 38 12.099 -0.972 -3.591 1.00 0.00 C ATOM 1883 CG2 ILE B 38 10.501 0.840 -2.978 1.00 0.00 C ATOM 1884 CD1 ILE B 38 12.663 -1.054 -4.991 1.00 0.00 C ATOM 0 H ILE B 38 9.779 -2.691 -4.539 1.00 0.00 H new ATOM 0 HA ILE B 38 10.284 -1.853 -1.854 1.00 0.00 H new ATOM 0 HB ILE B 38 10.245 -0.555 -4.578 1.00 0.00 H new ATOM 0 HG12 ILE B 38 12.683 -0.257 -3.012 1.00 0.00 H new ATOM 0 HG13 ILE B 38 12.209 -1.941 -3.105 1.00 0.00 H new ATOM 0 HG21 ILE B 38 11.118 1.529 -3.555 1.00 0.00 H new ATOM 0 HG22 ILE B 38 9.460 1.161 -3.022 1.00 0.00 H new ATOM 0 HG23 ILE B 38 10.836 0.835 -1.941 1.00 0.00 H new ATOM 0 HD11 ILE B 38 13.711 -1.351 -4.944 1.00 0.00 H new ATOM 0 HD12 ILE B 38 12.102 -1.790 -5.567 1.00 0.00 H new ATOM 0 HD13 ILE B 38 12.584 -0.080 -5.473 1.00 0.00 H new ATOM 1896 N ILE B 39 7.615 -0.655 -3.447 1.00 0.00 N ATOM 1897 CA ILE B 39 6.324 -0.013 -3.240 1.00 0.00 C ATOM 1898 C ILE B 39 5.424 -0.886 -2.385 1.00 0.00 C ATOM 1899 O ILE B 39 4.610 -0.386 -1.609 1.00 0.00 O ATOM 1900 CB ILE B 39 5.608 0.282 -4.571 1.00 0.00 C ATOM 1901 CG1 ILE B 39 5.258 -1.023 -5.283 1.00 0.00 C ATOM 1902 CG2 ILE B 39 6.472 1.164 -5.457 1.00 0.00 C ATOM 1903 CD1 ILE B 39 3.791 -1.381 -5.195 1.00 0.00 C ATOM 0 H ILE B 39 7.822 -0.891 -4.418 1.00 0.00 H new ATOM 0 HA ILE B 39 6.521 0.931 -2.732 1.00 0.00 H new ATOM 0 HB ILE B 39 4.683 0.818 -4.358 1.00 0.00 H new ATOM 0 HG12 ILE B 39 5.543 -0.943 -6.332 1.00 0.00 H new ATOM 0 HG13 ILE B 39 5.848 -1.832 -4.853 1.00 0.00 H new ATOM 0 HG21 ILE B 39 5.950 1.362 -6.393 1.00 0.00 H new ATOM 0 HG22 ILE B 39 6.673 2.106 -4.947 1.00 0.00 H new ATOM 0 HG23 ILE B 39 7.414 0.657 -5.667 1.00 0.00 H new ATOM 0 HD11 ILE B 39 3.613 -2.319 -5.722 1.00 0.00 H new ATOM 0 HD12 ILE B 39 3.506 -1.493 -4.149 1.00 0.00 H new ATOM 0 HD13 ILE B 39 3.195 -0.590 -5.651 1.00 0.00 H new ATOM 1915 N GLU B 40 5.576 -2.196 -2.531 1.00 0.00 N ATOM 1916 CA GLU B 40 4.771 -3.130 -1.770 1.00 0.00 C ATOM 1917 C GLU B 40 5.329 -3.289 -0.363 1.00 0.00 C ATOM 1918 O GLU B 40 4.586 -3.593 0.571 1.00 0.00 O ATOM 1919 CB GLU B 40 4.688 -4.488 -2.475 1.00 0.00 C ATOM 1920 CG GLU B 40 5.921 -5.358 -2.290 1.00 0.00 C ATOM 1921 CD GLU B 40 5.672 -6.538 -1.372 1.00 0.00 C ATOM 1922 OE1 GLU B 40 6.173 -7.641 -1.674 1.00 0.00 O ATOM 1923 OE2 GLU B 40 4.976 -6.359 -0.350 1.00 0.00 O ATOM 0 H GLU B 40 6.246 -2.629 -3.166 1.00 0.00 H new ATOM 0 HA GLU B 40 3.761 -2.727 -1.699 1.00 0.00 H new ATOM 0 HB2 GLU B 40 3.817 -5.027 -2.102 1.00 0.00 H new ATOM 0 HB3 GLU B 40 4.529 -4.323 -3.541 1.00 0.00 H new ATOM 0 HG2 GLU B 40 6.252 -5.723 -3.262 1.00 0.00 H new ATOM 0 HG3 GLU B 40 6.731 -4.752 -1.884 1.00 0.00 H new ATOM 1930 N GLU B 41 6.632 -3.062 -0.199 1.00 0.00 N ATOM 1931 CA GLU B 41 7.227 -3.168 1.127 1.00 0.00 C ATOM 1932 C GLU B 41 7.047 -1.853 1.875 1.00 0.00 C ATOM 1933 O GLU B 41 6.898 -1.831 3.099 1.00 0.00 O ATOM 1934 CB GLU B 41 8.709 -3.551 1.051 1.00 0.00 C ATOM 1935 CG GLU B 41 9.621 -2.411 0.631 1.00 0.00 C ATOM 1936 CD GLU B 41 11.087 -2.798 0.653 1.00 0.00 C ATOM 1937 OE1 GLU B 41 11.447 -3.715 1.419 1.00 0.00 O ATOM 1938 OE2 GLU B 41 11.874 -2.184 -0.099 1.00 0.00 O ATOM 0 H GLU B 41 7.278 -2.810 -0.947 1.00 0.00 H new ATOM 0 HA GLU B 41 6.716 -3.963 1.670 1.00 0.00 H new ATOM 0 HB2 GLU B 41 9.029 -3.918 2.026 1.00 0.00 H new ATOM 0 HB3 GLU B 41 8.825 -4.374 0.346 1.00 0.00 H new ATOM 0 HG2 GLU B 41 9.350 -2.085 -0.373 1.00 0.00 H new ATOM 0 HG3 GLU B 41 9.463 -1.561 1.295 1.00 0.00 H new ATOM 1945 N ALA B 42 7.048 -0.755 1.122 1.00 0.00 N ATOM 1946 CA ALA B 42 6.875 0.568 1.705 1.00 0.00 C ATOM 1947 C ALA B 42 5.420 0.798 2.095 1.00 0.00 C ATOM 1948 O ALA B 42 5.132 1.342 3.160 1.00 0.00 O ATOM 1949 CB ALA B 42 7.341 1.641 0.734 1.00 0.00 C ATOM 0 H ALA B 42 7.167 -0.758 0.109 1.00 0.00 H new ATOM 0 HA ALA B 42 7.485 0.628 2.607 1.00 0.00 H new ATOM 0 HB1 ALA B 42 7.205 2.624 1.185 1.00 0.00 H new ATOM 0 HB2 ALA B 42 8.396 1.490 0.504 1.00 0.00 H new ATOM 0 HB3 ALA B 42 6.757 1.579 -0.184 1.00 0.00 H new ATOM 1955 N VAL B 43 4.506 0.372 1.227 1.00 0.00 N ATOM 1956 CA VAL B 43 3.078 0.524 1.485 1.00 0.00 C ATOM 1957 C VAL B 43 2.714 -0.038 2.845 1.00 0.00 C ATOM 1958 O VAL B 43 2.238 0.674 3.729 1.00 0.00 O ATOM 1959 CB VAL B 43 2.223 -0.201 0.416 1.00 0.00 C ATOM 1960 CG1 VAL B 43 2.736 -1.597 0.142 1.00 0.00 C ATOM 1961 CG2 VAL B 43 0.768 -0.271 0.839 1.00 0.00 C ATOM 0 H VAL B 43 4.729 -0.080 0.340 1.00 0.00 H new ATOM 0 HA VAL B 43 2.866 1.593 1.451 1.00 0.00 H new ATOM 0 HB VAL B 43 2.302 0.383 -0.501 1.00 0.00 H new ATOM 0 HG11 VAL B 43 2.110 -2.073 -0.613 1.00 0.00 H new ATOM 0 HG12 VAL B 43 3.763 -1.543 -0.219 1.00 0.00 H new ATOM 0 HG13 VAL B 43 2.705 -2.183 1.061 1.00 0.00 H new ATOM 0 HG21 VAL B 43 0.190 -0.785 0.071 1.00 0.00 H new ATOM 0 HG22 VAL B 43 0.688 -0.817 1.779 1.00 0.00 H new ATOM 0 HG23 VAL B 43 0.379 0.738 0.972 1.00 0.00 H new ATOM 1971 N VAL B 44 2.936 -1.327 2.988 1.00 0.00 N ATOM 1972 CA VAL B 44 2.635 -2.028 4.217 1.00 0.00 C ATOM 1973 C VAL B 44 3.373 -1.401 5.390 1.00 0.00 C ATOM 1974 O VAL B 44 2.831 -1.282 6.485 1.00 0.00 O ATOM 1975 CB VAL B 44 2.994 -3.523 4.083 1.00 0.00 C ATOM 1976 CG1 VAL B 44 3.600 -4.082 5.368 1.00 0.00 C ATOM 1977 CG2 VAL B 44 1.774 -4.328 3.670 1.00 0.00 C ATOM 0 H VAL B 44 3.330 -1.918 2.256 1.00 0.00 H new ATOM 0 HA VAL B 44 1.565 -1.945 4.408 1.00 0.00 H new ATOM 0 HB VAL B 44 3.752 -3.609 3.304 1.00 0.00 H new ATOM 0 HG11 VAL B 44 3.838 -5.137 5.229 1.00 0.00 H new ATOM 0 HG12 VAL B 44 4.510 -3.534 5.610 1.00 0.00 H new ATOM 0 HG13 VAL B 44 2.885 -3.975 6.184 1.00 0.00 H new ATOM 0 HG21 VAL B 44 2.045 -5.380 3.580 1.00 0.00 H new ATOM 0 HG22 VAL B 44 0.993 -4.218 4.423 1.00 0.00 H new ATOM 0 HG23 VAL B 44 1.406 -3.965 2.710 1.00 0.00 H new ATOM 1987 N MET B 45 4.611 -0.998 5.156 1.00 0.00 N ATOM 1988 CA MET B 45 5.405 -0.382 6.203 1.00 0.00 C ATOM 1989 C MET B 45 4.781 0.933 6.651 1.00 0.00 C ATOM 1990 O MET B 45 4.864 1.294 7.826 1.00 0.00 O ATOM 1991 CB MET B 45 6.838 -0.152 5.725 1.00 0.00 C ATOM 1992 CG MET B 45 7.694 0.632 6.710 1.00 0.00 C ATOM 1993 SD MET B 45 8.385 2.134 5.991 1.00 0.00 S ATOM 1994 CE MET B 45 7.679 3.380 7.067 1.00 0.00 C ATOM 0 H MET B 45 5.084 -1.086 4.257 1.00 0.00 H new ATOM 0 HA MET B 45 5.427 -1.061 7.055 1.00 0.00 H new ATOM 0 HB2 MET B 45 7.308 -1.117 5.537 1.00 0.00 H new ATOM 0 HB3 MET B 45 6.813 0.381 4.775 1.00 0.00 H new ATOM 0 HG2 MET B 45 7.092 0.894 7.580 1.00 0.00 H new ATOM 0 HG3 MET B 45 8.506 -0.003 7.065 1.00 0.00 H new ATOM 0 HE1 MET B 45 7.428 4.265 6.483 1.00 0.00 H new ATOM 0 HE2 MET B 45 6.777 2.987 7.536 1.00 0.00 H new ATOM 0 HE3 MET B 45 8.402 3.647 7.838 1.00 0.00 H new ATOM 2004 N TRP B 46 4.152 1.647 5.722 1.00 0.00 N ATOM 2005 CA TRP B 46 3.524 2.914 6.063 1.00 0.00 C ATOM 2006 C TRP B 46 2.283 2.679 6.909 1.00 0.00 C ATOM 2007 O TRP B 46 2.147 3.245 7.993 1.00 0.00 O ATOM 2008 CB TRP B 46 3.162 3.705 4.806 1.00 0.00 C ATOM 2009 CG TRP B 46 2.691 5.095 5.105 1.00 0.00 C ATOM 2010 CD1 TRP B 46 3.468 6.207 5.268 1.00 0.00 C ATOM 2011 CD2 TRP B 46 1.336 5.524 5.284 1.00 0.00 C ATOM 2012 NE1 TRP B 46 2.679 7.298 5.535 1.00 0.00 N ATOM 2013 CE2 TRP B 46 1.367 6.905 5.550 1.00 0.00 C ATOM 2014 CE3 TRP B 46 0.099 4.873 5.244 1.00 0.00 C ATOM 2015 CZ2 TRP B 46 0.209 7.647 5.775 1.00 0.00 C ATOM 2016 CZ3 TRP B 46 -1.049 5.610 5.467 1.00 0.00 C ATOM 2017 CH2 TRP B 46 -0.987 6.985 5.729 1.00 0.00 C ATOM 0 H TRP B 46 4.065 1.374 4.743 1.00 0.00 H new ATOM 0 HA TRP B 46 4.240 3.500 6.639 1.00 0.00 H new ATOM 0 HB2 TRP B 46 4.032 3.755 4.152 1.00 0.00 H new ATOM 0 HB3 TRP B 46 2.383 3.173 4.260 1.00 0.00 H new ATOM 0 HD1 TRP B 46 4.546 6.225 5.197 1.00 0.00 H new ATOM 0 HE1 TRP B 46 3.015 8.247 5.696 1.00 0.00 H new ATOM 0 HE3 TRP B 46 0.042 3.814 5.043 1.00 0.00 H new ATOM 0 HZ2 TRP B 46 0.254 8.707 5.978 1.00 0.00 H new ATOM 0 HZ3 TRP B 46 -2.010 5.118 5.439 1.00 0.00 H new ATOM 0 HH2 TRP B 46 -1.902 7.533 5.898 1.00 0.00 H new ATOM 2028 N LEU B 47 1.381 1.835 6.418 1.00 0.00 N ATOM 2029 CA LEU B 47 0.162 1.531 7.155 1.00 0.00 C ATOM 2030 C LEU B 47 0.491 1.012 8.539 1.00 0.00 C ATOM 2031 O LEU B 47 -0.144 1.382 9.525 1.00 0.00 O ATOM 2032 CB LEU B 47 -0.687 0.474 6.451 1.00 0.00 C ATOM 2033 CG LEU B 47 0.067 -0.567 5.629 1.00 0.00 C ATOM 2034 CD1 LEU B 47 0.196 -1.851 6.429 1.00 0.00 C ATOM 2035 CD2 LEU B 47 -0.643 -0.827 4.308 1.00 0.00 C ATOM 0 H LEU B 47 1.470 1.355 5.523 1.00 0.00 H new ATOM 0 HA LEU B 47 -0.400 2.463 7.215 1.00 0.00 H new ATOM 0 HB2 LEU B 47 -1.276 -0.048 7.205 1.00 0.00 H new ATOM 0 HB3 LEU B 47 -1.391 0.984 5.793 1.00 0.00 H new ATOM 0 HG LEU B 47 1.063 -0.187 5.404 1.00 0.00 H new ATOM 0 HD11 LEU B 47 0.735 -2.594 5.841 1.00 0.00 H new ATOM 0 HD12 LEU B 47 0.743 -1.652 7.351 1.00 0.00 H new ATOM 0 HD13 LEU B 47 -0.797 -2.230 6.671 1.00 0.00 H new ATOM 0 HD21 LEU B 47 -0.089 -1.572 3.738 1.00 0.00 H new ATOM 0 HD22 LEU B 47 -1.651 -1.195 4.503 1.00 0.00 H new ATOM 0 HD23 LEU B 47 -0.699 0.099 3.737 1.00 0.00 H new ATOM 2047 N ILE B 48 1.474 0.129 8.597 1.00 0.00 N ATOM 2048 CA ILE B 48 1.872 -0.469 9.843 1.00 0.00 C ATOM 2049 C ILE B 48 2.371 0.569 10.829 1.00 0.00 C ATOM 2050 O ILE B 48 1.967 0.576 11.990 1.00 0.00 O ATOM 2051 CB ILE B 48 2.959 -1.528 9.599 1.00 0.00 C ATOM 2052 CG1 ILE B 48 2.386 -2.919 9.788 1.00 0.00 C ATOM 2053 CG2 ILE B 48 4.145 -1.325 10.525 1.00 0.00 C ATOM 2054 CD1 ILE B 48 1.104 -3.187 9.024 1.00 0.00 C ATOM 0 H ILE B 48 2.008 -0.185 7.787 1.00 0.00 H new ATOM 0 HA ILE B 48 0.993 -0.945 10.277 1.00 0.00 H new ATOM 0 HB ILE B 48 3.308 -1.419 8.572 1.00 0.00 H new ATOM 0 HG12 ILE B 48 3.135 -3.650 9.482 1.00 0.00 H new ATOM 0 HG13 ILE B 48 2.200 -3.079 10.850 1.00 0.00 H new ATOM 0 HG21 ILE B 48 4.896 -2.090 10.327 1.00 0.00 H new ATOM 0 HG22 ILE B 48 4.577 -0.339 10.352 1.00 0.00 H new ATOM 0 HG23 ILE B 48 3.815 -1.400 11.561 1.00 0.00 H new ATOM 0 HD11 ILE B 48 0.770 -4.206 9.221 1.00 0.00 H new ATOM 0 HD12 ILE B 48 0.335 -2.484 9.345 1.00 0.00 H new ATOM 0 HD13 ILE B 48 1.284 -3.064 7.956 1.00 0.00 H new ATOM 2066 N GLN B 49 3.265 1.433 10.378 1.00 0.00 N ATOM 2067 CA GLN B 49 3.814 2.438 11.257 1.00 0.00 C ATOM 2068 C GLN B 49 2.778 3.512 11.587 1.00 0.00 C ATOM 2069 O GLN B 49 2.958 4.287 12.528 1.00 0.00 O ATOM 2070 CB GLN B 49 5.060 3.076 10.637 1.00 0.00 C ATOM 2071 CG GLN B 49 4.762 3.972 9.444 1.00 0.00 C ATOM 2072 CD GLN B 49 5.949 4.827 9.047 1.00 0.00 C ATOM 2073 OE1 GLN B 49 6.966 4.859 9.740 1.00 0.00 O ATOM 2074 NE2 GLN B 49 5.826 5.528 7.925 1.00 0.00 N ATOM 0 H GLN B 49 3.619 1.456 9.422 1.00 0.00 H new ATOM 0 HA GLN B 49 4.099 1.945 12.186 1.00 0.00 H new ATOM 0 HB2 GLN B 49 5.575 3.661 11.399 1.00 0.00 H new ATOM 0 HB3 GLN B 49 5.744 2.287 10.325 1.00 0.00 H new ATOM 0 HG2 GLN B 49 4.464 3.355 8.596 1.00 0.00 H new ATOM 0 HG3 GLN B 49 3.917 4.618 9.681 1.00 0.00 H new ATOM 0 HE21 GLN B 49 4.965 5.472 7.381 1.00 0.00 H new ATOM 0 HE22 GLN B 49 6.592 6.122 7.608 1.00 0.00 H new ATOM 2083 N ASN B 50 1.701 3.566 10.807 1.00 0.00 N ATOM 2084 CA ASN B 50 0.659 4.563 11.030 1.00 0.00 C ATOM 2085 C ASN B 50 -0.513 4.002 11.828 1.00 0.00 C ATOM 2086 O ASN B 50 -0.861 4.524 12.885 1.00 0.00 O ATOM 2087 CB ASN B 50 0.165 5.128 9.693 1.00 0.00 C ATOM 2088 CG ASN B 50 0.467 6.605 9.544 1.00 0.00 C ATOM 2089 OD1 ASN B 50 -0.352 7.456 9.890 1.00 0.00 O ATOM 2090 ND2 ASN B 50 1.649 6.919 9.025 1.00 0.00 N ATOM 0 H ASN B 50 1.528 2.937 10.022 1.00 0.00 H new ATOM 0 HA ASN B 50 1.102 5.366 11.620 1.00 0.00 H new ATOM 0 HB2 ASN B 50 0.632 4.580 8.875 1.00 0.00 H new ATOM 0 HB3 ASN B 50 -0.910 4.969 9.610 1.00 0.00 H new ATOM 0 HD21 ASN B 50 1.907 7.898 8.900 1.00 0.00 H new ATOM 0 HD22 ASN B 50 2.298 6.181 8.752 1.00 0.00 H new ATOM 2097 N LYS B 51 -1.130 2.954 11.304 1.00 0.00 N ATOM 2098 CA LYS B 51 -2.283 2.334 11.955 1.00 0.00 C ATOM 2099 C LYS B 51 -1.923 1.743 13.317 1.00 0.00 C ATOM 2100 O LYS B 51 -2.533 2.086 14.329 1.00 0.00 O ATOM 2101 CB LYS B 51 -2.874 1.245 11.057 1.00 0.00 C ATOM 2102 CG LYS B 51 -4.393 1.168 11.111 1.00 0.00 C ATOM 2103 CD LYS B 51 -5.044 2.486 10.716 1.00 0.00 C ATOM 2104 CE LYS B 51 -4.507 3.008 9.391 1.00 0.00 C ATOM 2105 NZ LYS B 51 -3.342 3.915 9.582 1.00 0.00 N ATOM 0 H LYS B 51 -0.854 2.511 10.428 1.00 0.00 H new ATOM 0 HA LYS B 51 -3.024 3.117 12.118 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -2.564 1.427 10.028 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -2.459 0.280 11.349 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -4.740 0.378 10.445 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -4.707 0.896 12.119 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -6.123 2.351 10.643 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -4.868 3.226 11.496 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -4.213 2.168 8.762 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -5.298 3.540 8.863 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -3.486 4.786 9.032 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -3.249 4.153 10.590 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -2.476 3.440 9.257 1.00 0.00 H new ATOM 2119 N GLU B 52 -0.943 0.846 13.334 1.00 0.00 N ATOM 2120 CA GLU B 52 -0.512 0.196 14.573 1.00 0.00 C ATOM 2121 C GLU B 52 -0.350 1.199 15.712 1.00 0.00 C ATOM 2122 O GLU B 52 -0.626 0.886 16.870 1.00 0.00 O ATOM 2123 CB GLU B 52 0.809 -0.539 14.351 1.00 0.00 C ATOM 2124 CG GLU B 52 0.717 -1.664 13.331 1.00 0.00 C ATOM 2125 CD GLU B 52 0.940 -3.031 13.949 1.00 0.00 C ATOM 2126 OE1 GLU B 52 2.048 -3.583 13.787 1.00 0.00 O ATOM 2127 OE2 GLU B 52 0.005 -3.550 14.595 1.00 0.00 O ATOM 0 H GLU B 52 -0.429 0.550 12.504 1.00 0.00 H new ATOM 0 HA GLU B 52 -1.288 -0.516 14.855 1.00 0.00 H new ATOM 0 HB2 GLU B 52 1.563 0.177 14.023 1.00 0.00 H new ATOM 0 HB3 GLU B 52 1.151 -0.949 15.301 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -0.264 -1.640 12.856 1.00 0.00 H new ATOM 0 HG3 GLU B 52 1.455 -1.499 12.546 1.00 0.00 H new ATOM 2134 N LYS B 53 0.109 2.397 15.377 1.00 0.00 N ATOM 2135 CA LYS B 53 0.321 3.440 16.373 1.00 0.00 C ATOM 2136 C LYS B 53 -0.424 4.718 16.004 1.00 0.00 C ATOM 2137 O LYS B 53 0.010 5.814 16.352 1.00 0.00 O ATOM 2138 CB LYS B 53 1.814 3.733 16.526 1.00 0.00 C ATOM 2139 CG LYS B 53 2.522 3.986 15.206 1.00 0.00 C ATOM 2140 CD LYS B 53 3.592 5.058 15.343 1.00 0.00 C ATOM 2141 CE LYS B 53 3.008 6.454 15.195 1.00 0.00 C ATOM 2142 NZ LYS B 53 3.495 7.132 13.962 1.00 0.00 N ATOM 0 H LYS B 53 0.342 2.672 14.423 1.00 0.00 H new ATOM 0 HA LYS B 53 -0.073 3.078 17.323 1.00 0.00 H new ATOM 0 HB2 LYS B 53 1.941 4.604 17.170 1.00 0.00 H new ATOM 0 HB3 LYS B 53 2.291 2.892 17.029 1.00 0.00 H new ATOM 0 HG2 LYS B 53 2.976 3.060 14.853 1.00 0.00 H new ATOM 0 HG3 LYS B 53 1.794 4.291 14.454 1.00 0.00 H new ATOM 0 HD2 LYS B 53 4.077 4.967 16.315 1.00 0.00 H new ATOM 0 HD3 LYS B 53 4.362 4.903 14.587 1.00 0.00 H new ATOM 0 HE2 LYS B 53 1.920 6.391 15.169 1.00 0.00 H new ATOM 0 HE3 LYS B 53 3.272 7.052 16.067 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 2.876 7.938 13.742 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 4.466 7.472 14.113 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 3.484 6.460 13.169 1.00 0.00 H new ATOM 2156 N LEU B 54 -1.541 4.572 15.293 1.00 0.00 N ATOM 2157 CA LEU B 54 -2.338 5.723 14.868 1.00 0.00 C ATOM 2158 C LEU B 54 -2.698 6.605 16.064 1.00 0.00 C ATOM 2159 O LEU B 54 -3.613 6.289 16.824 1.00 0.00 O ATOM 2160 CB LEU B 54 -3.616 5.251 14.174 1.00 0.00 C ATOM 2161 CG LEU B 54 -4.391 6.344 13.434 1.00 0.00 C ATOM 2162 CD1 LEU B 54 -3.966 6.403 11.975 1.00 0.00 C ATOM 2163 CD2 LEU B 54 -5.889 6.104 13.545 1.00 0.00 C ATOM 0 H LEU B 54 -1.915 3.670 14.999 1.00 0.00 H new ATOM 0 HA LEU B 54 -1.743 6.309 14.168 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -3.357 4.466 13.464 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -4.272 4.803 14.920 1.00 0.00 H new ATOM 0 HG LEU B 54 -4.162 7.303 13.898 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -4.527 7.185 11.464 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -2.900 6.623 11.915 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -4.166 5.443 11.499 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -6.424 6.891 13.013 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -6.136 5.137 13.107 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -6.182 6.112 14.595 1.00 0.00 H new ATOM 2175 N PRO B 55 -1.974 7.725 16.248 1.00 0.00 N ATOM 2176 CA PRO B 55 -2.209 8.652 17.354 1.00 0.00 C ATOM 2177 C PRO B 55 -3.389 9.580 17.096 1.00 0.00 C ATOM 2178 O PRO B 55 -3.776 9.806 15.949 1.00 0.00 O ATOM 2179 CB PRO B 55 -0.903 9.464 17.439 1.00 0.00 C ATOM 2180 CG PRO B 55 0.009 8.899 16.393 1.00 0.00 C ATOM 2181 CD PRO B 55 -0.869 8.187 15.405 1.00 0.00 C ATOM 0 HA PRO B 55 -2.456 8.121 18.273 1.00 0.00 H new ATOM 0 HB2 PRO B 55 -1.091 10.523 17.261 1.00 0.00 H new ATOM 0 HB3 PRO B 55 -0.457 9.381 18.430 1.00 0.00 H new ATOM 0 HG2 PRO B 55 0.579 9.690 15.906 1.00 0.00 H new ATOM 0 HG3 PRO B 55 0.731 8.213 16.836 1.00 0.00 H new ATOM 0 HD2 PRO B 55 -1.212 8.852 14.612 1.00 0.00 H new ATOM 0 HD3 PRO B 55 -0.351 7.358 14.923 1.00 0.00 H new ATOM 2189 N ASN B 56 -3.949 10.126 18.170 1.00 0.00 N ATOM 2190 CA ASN B 56 -5.075 11.045 18.058 1.00 0.00 C ATOM 2191 C ASN B 56 -4.601 12.412 17.569 1.00 0.00 C ATOM 2192 O ASN B 56 -5.359 13.159 16.951 1.00 0.00 O ATOM 2193 CB ASN B 56 -5.783 11.184 19.409 1.00 0.00 C ATOM 2194 CG ASN B 56 -7.260 10.853 19.323 1.00 0.00 C ATOM 2195 OD1 ASN B 56 -8.108 11.626 19.768 1.00 0.00 O ATOM 2196 ND2 ASN B 56 -7.574 9.697 18.750 1.00 0.00 N ATOM 0 H ASN B 56 -3.642 9.948 19.126 1.00 0.00 H new ATOM 0 HA ASN B 56 -5.780 10.641 17.332 1.00 0.00 H new ATOM 0 HB2 ASN B 56 -5.307 10.525 20.135 1.00 0.00 H new ATOM 0 HB3 ASN B 56 -5.662 12.203 19.776 1.00 0.00 H new ATOM 0 HD21 ASN B 56 -8.552 9.419 18.665 1.00 0.00 H new ATOM 0 HD22 ASN B 56 -6.838 9.087 18.395 1.00 0.00 H new ATOM 2203 N GLU B 57 -3.339 12.727 17.850 1.00 0.00 N ATOM 2204 CA GLU B 57 -2.756 13.999 17.440 1.00 0.00 C ATOM 2205 C GLU B 57 -2.317 13.956 15.979 1.00 0.00 C ATOM 2206 O GLU B 57 -2.222 14.993 15.320 1.00 0.00 O ATOM 2207 CB GLU B 57 -1.561 14.345 18.331 1.00 0.00 C ATOM 2208 CG GLU B 57 -0.460 13.297 18.307 1.00 0.00 C ATOM 2209 CD GLU B 57 0.793 13.750 19.030 1.00 0.00 C ATOM 2210 OE1 GLU B 57 1.189 13.080 20.008 1.00 0.00 O ATOM 2211 OE2 GLU B 57 1.378 14.774 18.620 1.00 0.00 O ATOM 0 H GLU B 57 -2.701 12.117 18.361 1.00 0.00 H new ATOM 0 HA GLU B 57 -3.520 14.769 17.547 1.00 0.00 H new ATOM 0 HB2 GLU B 57 -1.147 15.302 18.014 1.00 0.00 H new ATOM 0 HB3 GLU B 57 -1.908 14.472 19.357 1.00 0.00 H new ATOM 0 HG2 GLU B 57 -0.828 12.379 18.765 1.00 0.00 H new ATOM 0 HG3 GLU B 57 -0.212 13.060 17.272 1.00 0.00 H new ATOM 2218 N LEU B 58 -2.053 12.754 15.474 1.00 0.00 N ATOM 2219 CA LEU B 58 -1.628 12.584 14.088 1.00 0.00 C ATOM 2220 C LEU B 58 -2.824 12.607 13.142 1.00 0.00 C ATOM 2221 O LEU B 58 -2.663 12.804 11.938 1.00 0.00 O ATOM 2222 CB LEU B 58 -0.861 11.271 13.918 1.00 0.00 C ATOM 2223 CG LEU B 58 0.579 11.423 13.425 1.00 0.00 C ATOM 2224 CD1 LEU B 58 1.532 11.573 14.600 1.00 0.00 C ATOM 2225 CD2 LEU B 58 0.973 10.233 12.563 1.00 0.00 C ATOM 0 H LEU B 58 -2.126 11.885 16.003 1.00 0.00 H new ATOM 0 HA LEU B 58 -0.970 13.416 13.838 1.00 0.00 H new ATOM 0 HB2 LEU B 58 -0.848 10.749 14.875 1.00 0.00 H new ATOM 0 HB3 LEU B 58 -1.405 10.638 13.216 1.00 0.00 H new ATOM 0 HG LEU B 58 0.643 12.325 12.816 1.00 0.00 H new ATOM 0 HD11 LEU B 58 2.552 11.680 14.230 1.00 0.00 H new ATOM 0 HD12 LEU B 58 1.261 12.457 15.178 1.00 0.00 H new ATOM 0 HD13 LEU B 58 1.467 10.690 15.236 1.00 0.00 H new ATOM 0 HD21 LEU B 58 2.000 10.356 12.220 1.00 0.00 H new ATOM 0 HD22 LEU B 58 0.893 9.317 13.149 1.00 0.00 H new ATOM 0 HD23 LEU B 58 0.308 10.172 11.702 1.00 0.00 H new ATOM 2237 N LYS B 59 -4.023 12.399 13.693 1.00 0.00 N ATOM 2238 CA LYS B 59 -5.253 12.392 12.901 1.00 0.00 C ATOM 2239 C LYS B 59 -5.205 13.429 11.779 1.00 0.00 C ATOM 2240 O LYS B 59 -5.405 13.095 10.611 1.00 0.00 O ATOM 2241 CB LYS B 59 -6.463 12.655 13.802 1.00 0.00 C ATOM 2242 CG LYS B 59 -7.654 11.760 13.496 1.00 0.00 C ATOM 2243 CD LYS B 59 -8.839 12.562 12.979 1.00 0.00 C ATOM 2244 CE LYS B 59 -9.491 13.372 14.089 1.00 0.00 C ATOM 2245 NZ LYS B 59 -10.743 12.733 14.581 1.00 0.00 N ATOM 0 H LYS B 59 -4.167 12.233 14.689 1.00 0.00 H new ATOM 0 HA LYS B 59 -5.348 11.407 12.445 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -6.169 12.512 14.842 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -6.765 13.697 13.696 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -7.368 11.014 12.755 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -7.945 11.220 14.397 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -8.508 13.231 12.185 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -9.573 11.886 12.541 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -8.791 13.483 14.917 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -9.714 14.374 13.724 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -11.156 13.316 15.337 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -11.422 12.650 13.797 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -10.527 11.786 14.953 1.00 0.00 H new ATOM 2259 N PRO B 60 -4.938 14.704 12.113 1.00 0.00 N ATOM 2260 CA PRO B 60 -4.866 15.772 11.116 1.00 0.00 C ATOM 2261 C PRO B 60 -3.632 15.659 10.230 1.00 0.00 C ATOM 2262 O PRO B 60 -3.654 16.063 9.067 1.00 0.00 O ATOM 2263 CB PRO B 60 -4.811 17.048 11.958 1.00 0.00 C ATOM 2264 CG PRO B 60 -4.220 16.617 13.254 1.00 0.00 C ATOM 2265 CD PRO B 60 -4.688 15.205 13.480 1.00 0.00 C ATOM 0 HA PRO B 60 -5.710 15.740 10.427 1.00 0.00 H new ATOM 0 HB2 PRO B 60 -4.200 17.813 11.479 1.00 0.00 H new ATOM 0 HB3 PRO B 60 -5.805 17.474 12.097 1.00 0.00 H new ATOM 0 HG2 PRO B 60 -3.132 16.666 13.221 1.00 0.00 H new ATOM 0 HG3 PRO B 60 -4.544 17.269 14.065 1.00 0.00 H new ATOM 0 HD2 PRO B 60 -3.934 14.609 13.995 1.00 0.00 H new ATOM 0 HD3 PRO B 60 -5.590 15.174 14.091 1.00 0.00 H new ATOM 2273 N LYS B 61 -2.556 15.103 10.777 1.00 0.00 N ATOM 2274 CA LYS B 61 -1.323 14.939 10.017 1.00 0.00 C ATOM 2275 C LYS B 61 -1.559 14.050 8.802 1.00 0.00 C ATOM 2276 O LYS B 61 -0.858 14.156 7.797 1.00 0.00 O ATOM 2277 CB LYS B 61 -0.214 14.349 10.889 1.00 0.00 C ATOM 2278 CG LYS B 61 1.171 14.488 10.273 1.00 0.00 C ATOM 2279 CD LYS B 61 1.491 13.321 9.350 1.00 0.00 C ATOM 2280 CE LYS B 61 2.521 12.387 9.967 1.00 0.00 C ATOM 2281 NZ LYS B 61 3.872 12.572 9.367 1.00 0.00 N ATOM 0 H LYS B 61 -2.513 14.761 11.737 1.00 0.00 H new ATOM 0 HA LYS B 61 -1.006 15.925 9.678 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -0.224 14.842 11.861 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -0.422 13.294 11.065 1.00 0.00 H new ATOM 0 HG2 LYS B 61 1.230 15.422 9.714 1.00 0.00 H new ATOM 0 HG3 LYS B 61 1.918 14.543 11.064 1.00 0.00 H new ATOM 0 HD2 LYS B 61 0.578 12.766 9.134 1.00 0.00 H new ATOM 0 HD3 LYS B 61 1.866 13.700 8.399 1.00 0.00 H new ATOM 0 HE2 LYS B 61 2.574 12.564 11.041 1.00 0.00 H new ATOM 0 HE3 LYS B 61 2.202 11.354 9.830 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 4.214 11.663 8.994 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 3.816 13.265 8.593 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 4.530 12.918 10.094 1.00 0.00 H new ATOM 2295 N ILE B 62 -2.563 13.180 8.890 1.00 0.00 N ATOM 2296 CA ILE B 62 -2.892 12.295 7.782 1.00 0.00 C ATOM 2297 C ILE B 62 -3.105 13.119 6.516 1.00 0.00 C ATOM 2298 O ILE B 62 -2.737 12.703 5.417 1.00 0.00 O ATOM 2299 CB ILE B 62 -4.143 11.440 8.103 1.00 0.00 C ATOM 2300 CG1 ILE B 62 -3.725 10.144 8.800 1.00 0.00 C ATOM 2301 CG2 ILE B 62 -4.948 11.130 6.844 1.00 0.00 C ATOM 2302 CD1 ILE B 62 -2.696 10.351 9.890 1.00 0.00 C ATOM 0 H ILE B 62 -3.157 13.071 9.712 1.00 0.00 H new ATOM 0 HA ILE B 62 -2.061 11.608 7.622 1.00 0.00 H new ATOM 0 HB ILE B 62 -4.784 12.017 8.770 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -4.608 9.671 9.230 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -3.323 9.455 8.058 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -5.818 10.529 7.107 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -5.277 12.062 6.384 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -4.325 10.578 6.140 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -2.446 9.391 10.341 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -1.798 10.796 9.462 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -3.102 11.015 10.653 1.00 0.00 H new ATOM 2314 N ASP B 63 -3.660 14.314 6.693 1.00 0.00 N ATOM 2315 CA ASP B 63 -3.874 15.215 5.580 1.00 0.00 C ATOM 2316 C ASP B 63 -2.520 15.687 5.083 1.00 0.00 C ATOM 2317 O ASP B 63 -2.285 15.788 3.880 1.00 0.00 O ATOM 2318 CB ASP B 63 -4.736 16.408 6.005 1.00 0.00 C ATOM 2319 CG ASP B 63 -6.058 16.458 5.265 1.00 0.00 C ATOM 2320 OD1 ASP B 63 -6.325 17.478 4.596 1.00 0.00 O ATOM 2321 OD2 ASP B 63 -6.826 15.477 5.353 1.00 0.00 O ATOM 0 H ASP B 63 -3.967 14.675 7.596 1.00 0.00 H new ATOM 0 HA ASP B 63 -4.404 14.696 4.782 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -4.925 16.353 7.077 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -4.187 17.332 5.825 1.00 0.00 H new ATOM 2326 N GLU B 64 -1.618 15.942 6.031 1.00 0.00 N ATOM 2327 CA GLU B 64 -0.266 16.371 5.708 1.00 0.00 C ATOM 2328 C GLU B 64 0.403 15.328 4.824 1.00 0.00 C ATOM 2329 O GLU B 64 1.013 15.657 3.812 1.00 0.00 O ATOM 2330 CB GLU B 64 0.549 16.594 6.986 1.00 0.00 C ATOM 2331 CG GLU B 64 0.656 18.056 7.391 1.00 0.00 C ATOM 2332 CD GLU B 64 1.354 18.241 8.724 1.00 0.00 C ATOM 2333 OE1 GLU B 64 0.654 18.310 9.756 1.00 0.00 O ATOM 2334 OE2 GLU B 64 2.600 18.317 8.737 1.00 0.00 O ATOM 0 H GLU B 64 -1.804 15.857 7.030 1.00 0.00 H new ATOM 0 HA GLU B 64 -0.314 17.317 5.169 1.00 0.00 H new ATOM 0 HB2 GLU B 64 0.093 16.032 7.801 1.00 0.00 H new ATOM 0 HB3 GLU B 64 1.551 16.191 6.843 1.00 0.00 H new ATOM 0 HG2 GLU B 64 1.199 18.604 6.621 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -0.343 18.489 7.445 1.00 0.00 H new ATOM 2341 N ILE B 65 0.253 14.061 5.202 1.00 0.00 N ATOM 2342 CA ILE B 65 0.815 12.958 4.432 1.00 0.00 C ATOM 2343 C ILE B 65 0.308 13.011 2.996 1.00 0.00 C ATOM 2344 O ILE B 65 1.049 12.735 2.053 1.00 0.00 O ATOM 2345 CB ILE B 65 0.434 11.596 5.053 1.00 0.00 C ATOM 2346 CG1 ILE B 65 0.918 11.522 6.501 1.00 0.00 C ATOM 2347 CG2 ILE B 65 1.014 10.448 4.234 1.00 0.00 C ATOM 2348 CD1 ILE B 65 2.425 11.526 6.624 1.00 0.00 C ATOM 0 H ILE B 65 -0.254 13.774 6.039 1.00 0.00 H new ATOM 0 HA ILE B 65 1.900 13.060 4.446 1.00 0.00 H new ATOM 0 HB ILE B 65 -0.652 11.503 5.044 1.00 0.00 H new ATOM 0 HG12 ILE B 65 0.512 12.367 7.057 1.00 0.00 H new ATOM 0 HG13 ILE B 65 0.524 10.617 6.964 1.00 0.00 H new ATOM 0 HG21 ILE B 65 0.733 9.498 4.689 1.00 0.00 H new ATOM 0 HG22 ILE B 65 0.623 10.493 3.217 1.00 0.00 H new ATOM 0 HG23 ILE B 65 2.101 10.531 4.209 1.00 0.00 H new ATOM 0 HD11 ILE B 65 2.704 11.472 7.676 1.00 0.00 H new ATOM 0 HD12 ILE B 65 2.836 10.666 6.095 1.00 0.00 H new ATOM 0 HD13 ILE B 65 2.823 12.443 6.190 1.00 0.00 H new ATOM 2360 N SER B 66 -0.964 13.370 2.843 1.00 0.00 N ATOM 2361 CA SER B 66 -1.585 13.460 1.526 1.00 0.00 C ATOM 2362 C SER B 66 -1.186 14.746 0.804 1.00 0.00 C ATOM 2363 O SER B 66 -0.673 14.701 -0.314 1.00 0.00 O ATOM 2364 CB SER B 66 -3.107 13.388 1.654 1.00 0.00 C ATOM 2365 OG SER B 66 -3.502 12.274 2.434 1.00 0.00 O ATOM 0 H SER B 66 -1.585 13.604 3.617 1.00 0.00 H new ATOM 0 HA SER B 66 -1.230 12.616 0.934 1.00 0.00 H new ATOM 0 HB2 SER B 66 -3.480 14.305 2.110 1.00 0.00 H new ATOM 0 HB3 SER B 66 -3.555 13.319 0.663 1.00 0.00 H new ATOM 0 HG SER B 66 -3.267 12.432 3.372 1.00 0.00 H new