USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1196 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: B 42 LYS NZ :NH3+ 150:sc= 2.4 (180deg=0.7) USER MOD Set 1.2: B 65 GLN : amide:sc= 2.28 K(o=4.7,f=-8.1!) USER MOD Set 2.1: B 28 SER OG : rot 180:sc= -1.68! USER MOD Set 2.2: B 31 HIS : no HD1:sc= 1.17 K(o=-0.51,f=-6.3!) USER MOD Set 3.1: B 17 TYR OH : rot 28:sc= 0.843 USER MOD Set 3.2: B 47 SER OG : rot 64:sc= 1.98 USER MOD Set 4.1: B 13 SER OG : rot 180:sc= 1.06 USER MOD Set 4.2: B 22 THR OG1 : rot -81:sc= 1.17 USER MOD Set 5.1: A 65 GLN : amide:sc= -2.83! K(o=-2!,f=-1.1) USER MOD Set 5.2: A 68 SER OG : rot -90:sc= 0.877 USER MOD Set 6.1: A 17 TYR OH : rot 28:sc= 0.179 USER MOD Set 6.2: A 47 SER OG : rot 53:sc= 1.43 USER MOD Set 7.1: A 13 SER OG : rot -68:sc= 1.19 USER MOD Set 7.2: A 22 THR OG1 : rot 180:sc= 1.08 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.161 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0444 USER MOD Single : A 31 HIS : no HD1:sc= 0.922 K(o=0.92,f=-4.3!) USER MOD Single : A 42 LYS NZ :NH3+ 175:sc= 1.14 (180deg=1.03) USER MOD Single : A 43 MET CE :methyl 166:sc= -0.282 (180deg=-0.608) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 49 LYS NZ :NH3+ 167:sc= 1.3 (180deg=1.12) USER MOD Single : A 50 GLN : amide:sc= -0.133 K(o=-0.13,f=-1) USER MOD Single : A 52 MET CE :methyl -172:sc= 0 (180deg=-0.103) USER MOD Single : A 57 LYS NZ :NH3+ 157:sc= 1.24 (180deg=1.13) USER MOD Single : A 62 THR OG1 : rot 27:sc= 0.72 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -175:sc= 1.17 (180deg=0.971) USER MOD Single : A 74 LYS NZ :NH3+ -166:sc= -0.0132 (180deg=-0.179) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.13) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= -0.673 K(o=-0.67,f=-4.2!) USER MOD Single : B 21 TYR OH : rot 180:sc= -1.38 USER MOD Single : B 43 MET CE :methyl 159:sc= -0.0911 (180deg=-0.502) USER MOD Single : B 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.15) USER MOD Single : B 50 GLN : amide:sc= -0.0718 K(o=-0.072,f=-2.2!) USER MOD Single : B 52 MET CE :methyl 179:sc= -0.0533 (180deg=-0.0624) USER MOD Single : B 57 LYS NZ :NH3+ -160:sc= 1.26 (180deg=0.479) USER MOD Single : B 62 THR OG1 : rot 150:sc= 0.0191 USER MOD Single : B 68 SER OG : rot 68:sc= 0.459 USER MOD Single : B 70 TYR OH : rot 68:sc= 0.253 USER MOD Single : B 72 LYS NZ :NH3+ -168:sc= 1.93 (180deg=1.46!) USER MOD Single : B 74 LYS NZ :NH3+ -107:sc= 0.658 (180deg=-0.307) USER MOD Single : B 77 TYR OH : rot 116:sc= 1.51 USER MOD Single : B 78 GLN : amide:sc= -0.178 K(o=-0.18,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 138 N THR A 10 17.349 3.818 -5.793 1.00 0.30 N ATOM 139 CA THR A 10 18.095 2.813 -5.060 1.00 0.36 C ATOM 140 C THR A 10 17.158 1.739 -4.503 1.00 0.30 C ATOM 141 O THR A 10 15.996 2.011 -4.178 1.00 0.27 O ATOM 142 CB THR A 10 18.924 3.449 -3.916 1.00 0.49 C ATOM 143 OG1 THR A 10 19.903 2.518 -3.444 1.00 0.62 O ATOM 144 CG2 THR A 10 18.038 3.887 -2.756 1.00 0.60 C ATOM 0 HA THR A 10 18.787 2.343 -5.759 1.00 0.36 H new ATOM 0 HB THR A 10 19.418 4.333 -4.319 1.00 0.49 H new ATOM 0 HG1 THR A 10 20.424 2.929 -2.722 1.00 0.62 H new ATOM 0 HG21 THR A 10 18.655 4.328 -1.973 1.00 0.60 H new ATOM 0 HG22 THR A 10 17.316 4.624 -3.108 1.00 0.60 H new ATOM 0 HG23 THR A 10 17.508 3.022 -2.356 1.00 0.60 H new ATOM 152 N ARG A 11 17.669 0.523 -4.409 1.00 0.30 N ATOM 153 CA ARG A 11 16.892 -0.595 -3.899 1.00 0.26 C ATOM 154 C ARG A 11 17.441 -1.030 -2.553 1.00 0.21 C ATOM 155 O ARG A 11 18.606 -0.784 -2.244 1.00 0.22 O ATOM 156 CB ARG A 11 16.919 -1.755 -4.895 1.00 0.32 C ATOM 157 CG ARG A 11 16.626 -1.320 -6.321 1.00 0.40 C ATOM 158 CD ARG A 11 16.718 -2.481 -7.296 1.00 0.55 C ATOM 159 NE ARG A 11 16.716 -2.022 -8.684 1.00 0.68 N ATOM 160 CZ ARG A 11 16.310 -2.759 -9.719 1.00 1.07 C ATOM 161 NH1 ARG A 11 15.851 -3.993 -9.528 1.00 1.36 N1+ ATOM 162 NH2 ARG A 11 16.354 -2.253 -10.943 1.00 1.17 N ATOM 0 H ARG A 11 18.623 0.284 -4.680 1.00 0.30 H new ATOM 0 HA ARG A 11 15.856 -0.282 -3.769 1.00 0.26 H new ATOM 0 HB2 ARG A 11 17.898 -2.233 -4.861 1.00 0.32 H new ATOM 0 HB3 ARG A 11 16.187 -2.504 -4.592 1.00 0.32 H new ATOM 0 HG2 ARG A 11 15.629 -0.883 -6.370 1.00 0.40 H new ATOM 0 HG3 ARG A 11 17.330 -0.542 -6.615 1.00 0.40 H new ATOM 0 HD2 ARG A 11 17.628 -3.048 -7.102 1.00 0.55 H new ATOM 0 HD3 ARG A 11 15.879 -3.159 -7.135 1.00 0.55 H new ATOM 0 HE ARG A 11 17.047 -1.076 -8.873 1.00 0.68 H new ATOM 0 HH11 ARG A 11 15.808 -4.381 -8.586 1.00 1.36 H new ATOM 0 HH12 ARG A 11 15.542 -4.551 -10.324 1.00 1.36 H new ATOM 0 HH21 ARG A 11 16.697 -1.304 -11.090 1.00 1.17 H new ATOM 0 HH22 ARG A 11 16.045 -2.813 -11.738 1.00 1.17 H new ATOM 176 N VAL A 12 16.606 -1.658 -1.746 1.00 0.16 N ATOM 177 CA VAL A 12 17.034 -2.105 -0.433 1.00 0.12 C ATOM 178 C VAL A 12 16.415 -3.455 -0.076 1.00 0.14 C ATOM 179 O VAL A 12 15.306 -3.777 -0.512 1.00 0.18 O ATOM 180 CB VAL A 12 16.680 -1.058 0.646 1.00 0.09 C ATOM 181 CG1 VAL A 12 15.170 -0.918 0.804 1.00 0.08 C ATOM 182 CG2 VAL A 12 17.339 -1.400 1.973 1.00 0.12 C ATOM 0 H VAL A 12 15.634 -1.869 -1.974 1.00 0.16 H new ATOM 0 HA VAL A 12 18.117 -2.224 -0.465 1.00 0.12 H new ATOM 0 HB VAL A 12 17.069 -0.095 0.316 1.00 0.09 H new ATOM 0 HG11 VAL A 12 14.952 -0.174 1.570 1.00 0.08 H new ATOM 0 HG12 VAL A 12 14.733 -0.602 -0.143 1.00 0.08 H new ATOM 0 HG13 VAL A 12 14.744 -1.877 1.098 1.00 0.08 H new ATOM 0 HG21 VAL A 12 17.074 -0.647 2.716 1.00 0.12 H new ATOM 0 HG22 VAL A 12 16.995 -2.378 2.309 1.00 0.12 H new ATOM 0 HG23 VAL A 12 18.422 -1.420 1.847 1.00 0.12 H new ATOM 192 N SER A 13 17.151 -4.249 0.692 1.00 0.14 N ATOM 193 CA SER A 13 16.681 -5.553 1.125 1.00 0.17 C ATOM 194 C SER A 13 16.119 -5.471 2.543 1.00 0.12 C ATOM 195 O SER A 13 16.836 -5.148 3.492 1.00 0.15 O ATOM 196 CB SER A 13 17.821 -6.564 1.067 1.00 0.25 C ATOM 197 OG SER A 13 18.382 -6.625 -0.235 1.00 0.56 O ATOM 0 H SER A 13 18.083 -4.007 1.028 1.00 0.14 H new ATOM 0 HA SER A 13 15.885 -5.879 0.455 1.00 0.17 H new ATOM 0 HB2 SER A 13 18.592 -6.289 1.786 1.00 0.25 H new ATOM 0 HB3 SER A 13 17.453 -7.549 1.355 1.00 0.25 H new ATOM 0 HG SER A 13 17.729 -7.011 -0.855 1.00 0.56 H new ATOM 203 N VAL A 14 14.833 -5.760 2.683 1.00 0.06 N ATOM 204 CA VAL A 14 14.176 -5.719 3.982 1.00 0.08 C ATOM 205 C VAL A 14 13.668 -7.102 4.367 1.00 0.08 C ATOM 206 O VAL A 14 13.714 -8.032 3.562 1.00 0.12 O ATOM 207 CB VAL A 14 13.000 -4.716 4.003 1.00 0.09 C ATOM 208 CG1 VAL A 14 13.505 -3.288 3.857 1.00 0.10 C ATOM 209 CG2 VAL A 14 11.981 -5.039 2.916 1.00 0.09 C ATOM 0 H VAL A 14 14.222 -6.026 1.911 1.00 0.06 H new ATOM 0 HA VAL A 14 14.920 -5.386 4.706 1.00 0.08 H new ATOM 0 HB VAL A 14 12.502 -4.807 4.968 1.00 0.09 H new ATOM 0 HG11 VAL A 14 12.660 -2.600 3.874 1.00 0.10 H new ATOM 0 HG12 VAL A 14 14.180 -3.055 4.680 1.00 0.10 H new ATOM 0 HG13 VAL A 14 14.037 -3.185 2.911 1.00 0.10 H new ATOM 0 HG21 VAL A 14 11.166 -4.317 2.955 1.00 0.09 H new ATOM 0 HG22 VAL A 14 12.463 -4.989 1.939 1.00 0.09 H new ATOM 0 HG23 VAL A 14 11.585 -6.042 3.075 1.00 0.09 H new ATOM 219 N ARG A 15 13.191 -7.236 5.595 1.00 0.05 N ATOM 220 CA ARG A 15 12.679 -8.505 6.079 1.00 0.05 C ATOM 221 C ARG A 15 11.222 -8.359 6.508 1.00 0.04 C ATOM 222 O ARG A 15 10.912 -7.609 7.432 1.00 0.07 O ATOM 223 CB ARG A 15 13.535 -9.001 7.246 1.00 0.06 C ATOM 224 CG ARG A 15 13.237 -10.427 7.674 1.00 0.06 C ATOM 225 CD ARG A 15 12.484 -10.464 8.992 1.00 0.11 C ATOM 226 NE ARG A 15 13.118 -9.626 10.006 1.00 0.16 N ATOM 227 CZ ARG A 15 12.640 -9.447 11.234 1.00 0.20 C ATOM 228 NH1 ARG A 15 11.535 -10.070 11.621 1.00 0.20 N1+ ATOM 229 NH2 ARG A 15 13.271 -8.639 12.074 1.00 0.26 N ATOM 0 H ARG A 15 13.149 -6.477 6.275 1.00 0.05 H new ATOM 0 HA ARG A 15 12.727 -9.237 5.273 1.00 0.05 H new ATOM 0 HB2 ARG A 15 14.586 -8.929 6.967 1.00 0.06 H new ATOM 0 HB3 ARG A 15 13.386 -8.339 8.099 1.00 0.06 H new ATOM 0 HG2 ARG A 15 12.649 -10.924 6.903 1.00 0.06 H new ATOM 0 HG3 ARG A 15 14.170 -10.982 7.771 1.00 0.06 H new ATOM 0 HD2 ARG A 15 11.459 -10.129 8.834 1.00 0.11 H new ATOM 0 HD3 ARG A 15 12.432 -11.492 9.351 1.00 0.11 H new ATOM 0 HE ARG A 15 13.983 -9.147 9.756 1.00 0.16 H new ATOM 0 HH11 ARG A 15 11.047 -10.691 10.975 1.00 0.20 H new ATOM 0 HH12 ARG A 15 11.173 -9.929 12.564 1.00 0.20 H new ATOM 0 HH21 ARG A 15 14.120 -8.157 11.778 1.00 0.26 H new ATOM 0 HH22 ARG A 15 12.908 -8.499 13.017 1.00 0.26 H new ATOM 243 N ILE A 16 10.334 -9.074 5.828 1.00 0.03 N ATOM 244 CA ILE A 16 8.913 -9.030 6.133 1.00 0.04 C ATOM 245 C ILE A 16 8.386 -10.442 6.348 1.00 0.04 C ATOM 246 O ILE A 16 8.592 -11.320 5.505 1.00 0.04 O ATOM 247 CB ILE A 16 8.100 -8.362 5.003 1.00 0.05 C ATOM 248 CG1 ILE A 16 8.849 -7.146 4.441 1.00 0.08 C ATOM 249 CG2 ILE A 16 6.728 -7.951 5.520 1.00 0.06 C ATOM 250 CD1 ILE A 16 8.324 -6.675 3.102 1.00 0.07 C ATOM 0 H ILE A 16 10.578 -9.695 5.056 1.00 0.03 H new ATOM 0 HA ILE A 16 8.795 -8.436 7.039 1.00 0.04 H new ATOM 0 HB ILE A 16 7.970 -9.083 4.196 1.00 0.05 H new ATOM 0 HG12 ILE A 16 8.782 -6.326 5.156 1.00 0.08 H new ATOM 0 HG13 ILE A 16 9.905 -7.396 4.340 1.00 0.08 H new ATOM 0 HG21 ILE A 16 6.162 -7.481 4.716 1.00 0.06 H new ATOM 0 HG22 ILE A 16 6.193 -8.833 5.873 1.00 0.06 H new ATOM 0 HG23 ILE A 16 6.845 -7.245 6.342 1.00 0.06 H new ATOM 0 HD11 ILE A 16 8.901 -5.813 2.768 1.00 0.07 H new ATOM 0 HD12 ILE A 16 8.416 -7.479 2.372 1.00 0.07 H new ATOM 0 HD13 ILE A 16 7.276 -6.393 3.201 1.00 0.07 H new ATOM 262 N TYR A 17 7.730 -10.653 7.485 1.00 0.08 N ATOM 263 CA TYR A 17 7.163 -11.952 7.847 1.00 0.11 C ATOM 264 C TYR A 17 8.242 -13.036 7.906 1.00 0.19 C ATOM 265 O TYR A 17 7.958 -14.222 7.741 1.00 0.56 O ATOM 266 CB TYR A 17 6.050 -12.354 6.871 1.00 0.04 C ATOM 267 CG TYR A 17 4.900 -13.076 7.539 1.00 0.09 C ATOM 268 CD1 TYR A 17 4.121 -12.441 8.501 1.00 0.08 C ATOM 269 CD2 TYR A 17 4.597 -14.394 7.218 1.00 0.18 C ATOM 270 CE1 TYR A 17 3.070 -13.095 9.117 1.00 0.12 C ATOM 271 CE2 TYR A 17 3.547 -15.054 7.828 1.00 0.23 C ATOM 272 CZ TYR A 17 2.787 -14.401 8.777 1.00 0.20 C ATOM 273 OH TYR A 17 1.742 -15.058 9.388 1.00 0.25 O ATOM 0 H TYR A 17 7.575 -9.927 8.185 1.00 0.08 H new ATOM 0 HA TYR A 17 6.731 -11.855 8.843 1.00 0.11 H new ATOM 0 HB2 TYR A 17 5.670 -11.460 6.376 1.00 0.04 H new ATOM 0 HB3 TYR A 17 6.470 -12.994 6.095 1.00 0.04 H new ATOM 0 HD1 TYR A 17 4.341 -11.419 8.771 1.00 0.08 H new ATOM 0 HD2 TYR A 17 5.192 -14.911 6.480 1.00 0.18 H new ATOM 0 HE1 TYR A 17 2.474 -12.586 9.860 1.00 0.12 H new ATOM 0 HE2 TYR A 17 3.322 -16.077 7.563 1.00 0.23 H new ATOM 0 HH TYR A 17 1.063 -14.407 9.663 1.00 0.25 H new ATOM 283 N GLY A 18 9.478 -12.620 8.151 1.00 0.18 N ATOM 284 CA GLY A 18 10.576 -13.567 8.246 1.00 0.13 C ATOM 285 C GLY A 18 11.359 -13.720 6.954 1.00 0.05 C ATOM 286 O GLY A 18 12.501 -14.175 6.969 1.00 0.11 O ATOM 0 H GLY A 18 9.741 -11.644 8.286 1.00 0.18 H new ATOM 0 HA2 GLY A 18 11.254 -13.246 9.037 1.00 0.13 H new ATOM 0 HA3 GLY A 18 10.182 -14.540 8.540 1.00 0.13 H new ATOM 290 N GLN A 19 10.763 -13.328 5.838 1.00 0.05 N ATOM 291 CA GLN A 19 11.424 -13.456 4.543 1.00 0.10 C ATOM 292 C GLN A 19 12.092 -12.146 4.127 1.00 0.05 C ATOM 293 O GLN A 19 11.643 -11.064 4.504 1.00 0.08 O ATOM 294 CB GLN A 19 10.424 -13.899 3.475 1.00 0.19 C ATOM 295 CG GLN A 19 10.336 -15.408 3.291 1.00 0.14 C ATOM 296 CD GLN A 19 9.771 -16.122 4.505 1.00 0.49 C ATOM 297 OE1 GLN A 19 8.558 -16.294 4.633 1.00 0.68 O ATOM 298 NE2 GLN A 19 10.647 -16.555 5.397 1.00 0.67 N ATOM 0 H GLN A 19 9.829 -12.921 5.800 1.00 0.05 H new ATOM 0 HA GLN A 19 12.200 -14.215 4.640 1.00 0.10 H new ATOM 0 HB2 GLN A 19 9.437 -13.518 3.737 1.00 0.19 H new ATOM 0 HB3 GLN A 19 10.700 -13.444 2.524 1.00 0.19 H new ATOM 0 HG2 GLN A 19 9.712 -15.627 2.425 1.00 0.14 H new ATOM 0 HG3 GLN A 19 11.330 -15.801 3.075 1.00 0.14 H new ATOM 0 HE21 GLN A 19 11.644 -16.392 5.254 1.00 0.67 H new ATOM 0 HE22 GLN A 19 10.326 -17.052 6.228 1.00 0.67 H new ATOM 307 N ASP A 20 13.167 -12.253 3.356 1.00 0.12 N ATOM 308 CA ASP A 20 13.905 -11.084 2.882 1.00 0.10 C ATOM 309 C ASP A 20 13.483 -10.719 1.456 1.00 0.09 C ATOM 310 O ASP A 20 13.342 -11.588 0.596 1.00 0.10 O ATOM 311 CB ASP A 20 15.420 -11.339 2.940 1.00 0.17 C ATOM 312 CG ASP A 20 15.890 -12.386 1.944 1.00 0.39 C ATOM 313 OD1 ASP A 20 15.642 -13.591 2.171 1.00 0.49 O1- ATOM 314 OD2 ASP A 20 16.517 -12.012 0.932 1.00 0.55 O ATOM 0 H ASP A 20 13.551 -13.144 3.042 1.00 0.12 H new ATOM 0 HA ASP A 20 13.669 -10.246 3.538 1.00 0.10 H new ATOM 0 HB2 ASP A 20 15.947 -10.404 2.750 1.00 0.17 H new ATOM 0 HB3 ASP A 20 15.690 -11.658 3.947 1.00 0.17 H new ATOM 319 N TYR A 21 13.266 -9.429 1.215 1.00 0.07 N ATOM 320 CA TYR A 21 12.855 -8.944 -0.100 1.00 0.07 C ATOM 321 C TYR A 21 13.631 -7.688 -0.482 1.00 0.07 C ATOM 322 O TYR A 21 13.896 -6.838 0.364 1.00 0.16 O ATOM 323 CB TYR A 21 11.355 -8.621 -0.114 1.00 0.05 C ATOM 324 CG TYR A 21 10.467 -9.759 0.336 1.00 0.07 C ATOM 325 CD1 TYR A 21 10.098 -10.767 -0.542 1.00 0.15 C ATOM 326 CD2 TYR A 21 9.997 -9.819 1.641 1.00 0.05 C ATOM 327 CE1 TYR A 21 9.286 -11.807 -0.133 1.00 0.17 C ATOM 328 CE2 TYR A 21 9.184 -10.854 2.058 1.00 0.08 C ATOM 329 CZ TYR A 21 8.832 -11.845 1.169 1.00 0.12 C ATOM 330 OH TYR A 21 8.024 -12.879 1.583 1.00 0.15 O ATOM 0 H TYR A 21 13.369 -8.697 1.917 1.00 0.07 H new ATOM 0 HA TYR A 21 13.066 -9.734 -0.821 1.00 0.07 H new ATOM 0 HB2 TYR A 21 11.175 -7.760 0.529 1.00 0.05 H new ATOM 0 HB3 TYR A 21 11.068 -8.330 -1.124 1.00 0.05 H new ATOM 0 HD1 TYR A 21 10.451 -10.738 -1.562 1.00 0.15 H new ATOM 0 HD2 TYR A 21 10.272 -9.044 2.341 1.00 0.05 H new ATOM 0 HE1 TYR A 21 9.008 -12.585 -0.828 1.00 0.17 H new ATOM 0 HE2 TYR A 21 8.826 -10.886 3.076 1.00 0.08 H new ATOM 0 HH TYR A 21 7.794 -12.756 2.528 1.00 0.15 H new ATOM 340 N THR A 22 13.991 -7.578 -1.753 1.00 0.19 N ATOM 341 CA THR A 22 14.717 -6.417 -2.243 1.00 0.20 C ATOM 342 C THR A 22 13.848 -5.612 -3.208 1.00 0.21 C ATOM 343 O THR A 22 13.665 -6.001 -4.365 1.00 0.38 O ATOM 344 CB THR A 22 16.023 -6.827 -2.959 1.00 0.25 C ATOM 345 OG1 THR A 22 16.771 -7.750 -2.148 1.00 0.19 O ATOM 346 CG2 THR A 22 16.875 -5.605 -3.267 1.00 0.32 C ATOM 0 H THR A 22 13.791 -8.281 -2.464 1.00 0.19 H new ATOM 0 HA THR A 22 14.971 -5.804 -1.378 1.00 0.20 H new ATOM 0 HB THR A 22 15.756 -7.313 -3.897 1.00 0.25 H new ATOM 0 HG1 THR A 22 17.595 -8.002 -2.615 1.00 0.19 H new ATOM 0 HG21 THR A 22 17.790 -5.917 -3.771 1.00 0.32 H new ATOM 0 HG22 THR A 22 16.318 -4.926 -3.913 1.00 0.32 H new ATOM 0 HG23 THR A 22 17.129 -5.095 -2.338 1.00 0.32 H new ATOM 354 N ILE A 23 13.309 -4.498 -2.730 1.00 0.16 N ATOM 355 CA ILE A 23 12.458 -3.652 -3.561 1.00 0.16 C ATOM 356 C ILE A 23 13.048 -2.251 -3.675 1.00 0.15 C ATOM 357 O ILE A 23 14.074 -1.950 -3.063 1.00 0.13 O ATOM 358 CB ILE A 23 10.988 -3.574 -3.051 1.00 0.17 C ATOM 359 CG1 ILE A 23 10.792 -2.499 -1.957 1.00 0.05 C ATOM 360 CG2 ILE A 23 10.510 -4.941 -2.574 1.00 0.31 C ATOM 361 CD1 ILE A 23 11.455 -2.789 -0.625 1.00 0.06 C ATOM 0 H ILE A 23 13.444 -4.159 -1.777 1.00 0.16 H new ATOM 0 HA ILE A 23 12.426 -4.119 -4.546 1.00 0.16 H new ATOM 0 HB ILE A 23 10.373 -3.267 -3.897 1.00 0.17 H new ATOM 0 HG12 ILE A 23 11.174 -1.550 -2.333 1.00 0.05 H new ATOM 0 HG13 ILE A 23 9.723 -2.368 -1.789 1.00 0.05 H new ATOM 0 HG21 ILE A 23 9.481 -4.864 -2.222 1.00 0.31 H new ATOM 0 HG22 ILE A 23 10.559 -5.652 -3.399 1.00 0.31 H new ATOM 0 HG23 ILE A 23 11.147 -5.286 -1.760 1.00 0.31 H new ATOM 0 HD11 ILE A 23 11.254 -1.972 0.067 1.00 0.06 H new ATOM 0 HD12 ILE A 23 11.058 -3.718 -0.215 1.00 0.06 H new ATOM 0 HD13 ILE A 23 12.531 -2.887 -0.768 1.00 0.06 H new ATOM 373 N VAL A 24 12.405 -1.409 -4.471 1.00 0.16 N ATOM 374 CA VAL A 24 12.865 -0.047 -4.678 1.00 0.15 C ATOM 375 C VAL A 24 12.368 0.871 -3.565 1.00 0.15 C ATOM 376 O VAL A 24 11.162 0.988 -3.343 1.00 0.15 O ATOM 377 CB VAL A 24 12.391 0.513 -6.038 1.00 0.17 C ATOM 378 CG1 VAL A 24 13.016 1.872 -6.312 1.00 0.17 C ATOM 379 CG2 VAL A 24 12.708 -0.458 -7.169 1.00 0.18 C ATOM 0 H VAL A 24 11.558 -1.649 -4.986 1.00 0.16 H new ATOM 0 HA VAL A 24 13.955 -0.077 -4.669 1.00 0.15 H new ATOM 0 HB VAL A 24 11.309 0.637 -5.989 1.00 0.17 H new ATOM 0 HG11 VAL A 24 12.667 2.245 -7.275 1.00 0.17 H new ATOM 0 HG12 VAL A 24 12.728 2.570 -5.526 1.00 0.17 H new ATOM 0 HG13 VAL A 24 14.102 1.776 -6.332 1.00 0.17 H new ATOM 0 HG21 VAL A 24 12.364 -0.040 -8.115 1.00 0.18 H new ATOM 0 HG22 VAL A 24 13.784 -0.623 -7.215 1.00 0.18 H new ATOM 0 HG23 VAL A 24 12.203 -1.406 -6.987 1.00 0.18 H new ATOM 389 N GLY A 25 13.296 1.518 -2.871 1.00 0.14 N ATOM 390 CA GLY A 25 12.917 2.416 -1.798 1.00 0.13 C ATOM 391 C GLY A 25 12.749 3.836 -2.292 1.00 0.11 C ATOM 392 O GLY A 25 11.651 4.390 -2.244 1.00 0.08 O ATOM 0 H GLY A 25 14.300 1.437 -3.031 1.00 0.14 H new ATOM 0 HA2 GLY A 25 11.985 2.074 -1.349 1.00 0.13 H new ATOM 0 HA3 GLY A 25 13.676 2.390 -1.016 1.00 0.13 H new ATOM 396 N ALA A 26 13.843 4.411 -2.782 1.00 0.15 N ATOM 397 CA ALA A 26 13.849 5.773 -3.313 1.00 0.17 C ATOM 398 C ALA A 26 13.402 6.802 -2.274 1.00 0.12 C ATOM 399 O ALA A 26 12.518 7.622 -2.535 1.00 0.19 O ATOM 400 CB ALA A 26 12.981 5.861 -4.561 1.00 0.27 C ATOM 0 H ALA A 26 14.751 3.947 -2.823 1.00 0.15 H new ATOM 0 HA ALA A 26 14.879 6.012 -3.578 1.00 0.17 H new ATOM 0 HB1 ALA A 26 12.996 6.882 -4.944 1.00 0.27 H new ATOM 0 HB2 ALA A 26 13.367 5.182 -5.322 1.00 0.27 H new ATOM 0 HB3 ALA A 26 11.957 5.582 -4.312 1.00 0.27 H new ATOM 406 N GLU A 27 14.010 6.739 -1.095 1.00 0.11 N ATOM 407 CA GLU A 27 13.713 7.669 -0.012 1.00 0.05 C ATOM 408 C GLU A 27 14.732 7.489 1.110 1.00 0.10 C ATOM 409 O GLU A 27 15.615 6.636 1.006 1.00 0.20 O ATOM 410 CB GLU A 27 12.274 7.486 0.506 1.00 0.11 C ATOM 411 CG GLU A 27 11.938 6.083 0.983 1.00 0.78 C ATOM 412 CD GLU A 27 10.485 5.957 1.401 1.00 1.22 C ATOM 413 OE1 GLU A 27 9.604 6.325 0.595 1.00 1.46 O ATOM 414 OE2 GLU A 27 10.227 5.498 2.529 1.00 1.58 O1- ATOM 0 H GLU A 27 14.720 6.044 -0.863 1.00 0.11 H new ATOM 0 HA GLU A 27 13.786 8.687 -0.395 1.00 0.05 H new ATOM 0 HB2 GLU A 27 12.108 8.183 1.328 1.00 0.11 H new ATOM 0 HB3 GLU A 27 11.580 7.760 -0.289 1.00 0.11 H new ATOM 0 HG2 GLU A 27 12.149 5.369 0.187 1.00 0.78 H new ATOM 0 HG3 GLU A 27 12.581 5.822 1.824 1.00 0.78 H new ATOM 421 N SER A 28 14.620 8.314 2.150 1.00 0.11 N ATOM 422 CA SER A 28 15.523 8.273 3.300 1.00 0.17 C ATOM 423 C SER A 28 15.755 6.847 3.810 1.00 0.18 C ATOM 424 O SER A 28 14.828 6.030 3.868 1.00 0.15 O ATOM 425 CB SER A 28 14.961 9.152 4.420 1.00 0.18 C ATOM 426 OG SER A 28 15.703 9.010 5.619 1.00 0.26 O ATOM 0 H SER A 28 13.899 9.032 2.219 1.00 0.11 H new ATOM 0 HA SER A 28 16.491 8.655 2.976 1.00 0.17 H new ATOM 0 HB2 SER A 28 14.974 10.195 4.105 1.00 0.18 H new ATOM 0 HB3 SER A 28 13.920 8.887 4.603 1.00 0.18 H new ATOM 0 HG SER A 28 15.318 9.586 6.312 1.00 0.26 H new ATOM 432 N PRO A 29 17.009 6.544 4.204 1.00 0.23 N ATOM 433 CA PRO A 29 17.397 5.223 4.713 1.00 0.26 C ATOM 434 C PRO A 29 16.638 4.835 5.977 1.00 0.28 C ATOM 435 O PRO A 29 16.535 3.658 6.312 1.00 0.34 O ATOM 436 CB PRO A 29 18.895 5.368 5.012 1.00 0.31 C ATOM 437 CG PRO A 29 19.126 6.833 5.121 1.00 0.31 C ATOM 438 CD PRO A 29 18.154 7.471 4.174 1.00 0.25 C ATOM 0 HA PRO A 29 17.169 4.437 3.993 1.00 0.26 H new ATOM 0 HB2 PRO A 29 19.164 4.856 5.936 1.00 0.31 H new ATOM 0 HB3 PRO A 29 19.500 4.931 4.218 1.00 0.31 H new ATOM 0 HG2 PRO A 29 18.963 7.180 6.141 1.00 0.31 H new ATOM 0 HG3 PRO A 29 20.153 7.088 4.858 1.00 0.31 H new ATOM 0 HD2 PRO A 29 17.872 8.472 4.499 1.00 0.25 H new ATOM 0 HD3 PRO A 29 18.570 7.567 3.171 1.00 0.25 H new ATOM 446 N ALA A 30 16.110 5.829 6.679 1.00 0.27 N ATOM 447 CA ALA A 30 15.357 5.577 7.897 1.00 0.30 C ATOM 448 C ALA A 30 13.886 5.356 7.576 1.00 0.18 C ATOM 449 O ALA A 30 13.154 4.725 8.338 1.00 0.15 O ATOM 450 CB ALA A 30 15.527 6.728 8.874 1.00 0.41 C ATOM 0 H ALA A 30 16.190 6.814 6.426 1.00 0.27 H new ATOM 0 HA ALA A 30 15.745 4.672 8.364 1.00 0.30 H new ATOM 0 HB1 ALA A 30 14.957 6.523 9.780 1.00 0.41 H new ATOM 0 HB2 ALA A 30 16.582 6.839 9.126 1.00 0.41 H new ATOM 0 HB3 ALA A 30 15.165 7.649 8.418 1.00 0.41 H new ATOM 456 N HIS A 31 13.469 5.862 6.423 1.00 0.13 N ATOM 457 CA HIS A 31 12.082 5.736 5.985 1.00 0.10 C ATOM 458 C HIS A 31 11.804 4.314 5.527 1.00 0.09 C ATOM 459 O HIS A 31 10.843 3.684 5.965 1.00 0.19 O ATOM 460 CB HIS A 31 11.778 6.717 4.849 1.00 0.21 C ATOM 461 CG HIS A 31 10.629 7.629 5.140 1.00 0.05 C ATOM 462 ND1 HIS A 31 10.764 8.794 5.864 1.00 0.28 N ATOM 463 CD2 HIS A 31 9.317 7.548 4.808 1.00 0.12 C ATOM 464 CE1 HIS A 31 9.593 9.387 5.967 1.00 0.41 C ATOM 465 NE2 HIS A 31 8.699 8.654 5.337 1.00 0.32 N ATOM 0 H HIS A 31 14.072 6.365 5.772 1.00 0.13 H new ATOM 0 HA HIS A 31 11.436 5.973 6.830 1.00 0.10 H new ATOM 0 HB2 HIS A 31 12.666 7.317 4.650 1.00 0.21 H new ATOM 0 HB3 HIS A 31 11.564 6.154 3.941 1.00 0.21 H new ATOM 0 HD2 HIS A 31 8.847 6.762 4.236 1.00 0.12 H new ATOM 0 HE1 HIS A 31 9.399 10.317 6.481 1.00 0.41 H new ATOM 0 HE2 HIS A 31 7.706 8.873 5.255 1.00 0.32 H new ATOM 474 N ILE A 32 12.673 3.811 4.663 1.00 0.08 N ATOM 475 CA ILE A 32 12.548 2.455 4.132 1.00 0.20 C ATOM 476 C ILE A 32 12.517 1.408 5.250 1.00 0.27 C ATOM 477 O ILE A 32 11.998 0.305 5.071 1.00 0.36 O ATOM 478 CB ILE A 32 13.705 2.115 3.168 1.00 0.23 C ATOM 479 CG1 ILE A 32 15.051 2.493 3.791 1.00 0.25 C ATOM 480 CG2 ILE A 32 13.514 2.820 1.836 1.00 0.18 C ATOM 481 CD1 ILE A 32 16.190 1.583 3.389 1.00 0.30 C ATOM 0 H ILE A 32 13.481 4.324 4.310 1.00 0.08 H new ATOM 0 HA ILE A 32 11.603 2.427 3.589 1.00 0.20 H new ATOM 0 HB ILE A 32 13.700 1.040 2.989 1.00 0.23 H new ATOM 0 HG12 ILE A 32 15.298 3.516 3.505 1.00 0.25 H new ATOM 0 HG13 ILE A 32 14.954 2.480 4.877 1.00 0.25 H new ATOM 0 HG21 ILE A 32 14.339 2.568 1.170 1.00 0.18 H new ATOM 0 HG22 ILE A 32 12.574 2.500 1.386 1.00 0.18 H new ATOM 0 HG23 ILE A 32 13.492 3.898 1.995 1.00 0.18 H new ATOM 0 HD11 ILE A 32 17.109 1.916 3.871 1.00 0.30 H new ATOM 0 HD12 ILE A 32 15.967 0.562 3.699 1.00 0.30 H new ATOM 0 HD13 ILE A 32 16.316 1.614 2.307 1.00 0.30 H new ATOM 493 N ARG A 33 13.063 1.767 6.407 1.00 0.25 N ATOM 494 CA ARG A 33 13.108 0.862 7.550 1.00 0.32 C ATOM 495 C ARG A 33 11.721 0.664 8.159 1.00 0.34 C ATOM 496 O ARG A 33 11.383 -0.435 8.601 1.00 0.57 O ATOM 497 CB ARG A 33 14.061 1.397 8.621 1.00 0.34 C ATOM 498 CG ARG A 33 15.526 1.406 8.213 1.00 0.38 C ATOM 499 CD ARG A 33 16.046 0.008 7.917 1.00 0.37 C ATOM 500 NE ARG A 33 15.688 -0.953 8.964 1.00 0.36 N ATOM 501 CZ ARG A 33 16.458 -1.973 9.339 1.00 0.68 C ATOM 502 NH1 ARG A 33 17.622 -2.187 8.741 1.00 1.01 N1+ ATOM 503 NH2 ARG A 33 16.052 -2.785 10.307 1.00 0.84 N ATOM 0 H ARG A 33 13.482 2.681 6.578 1.00 0.25 H new ATOM 0 HA ARG A 33 13.470 -0.101 7.189 1.00 0.32 H new ATOM 0 HB2 ARG A 33 13.763 2.413 8.880 1.00 0.34 H new ATOM 0 HB3 ARG A 33 13.951 0.793 9.522 1.00 0.34 H new ATOM 0 HG2 ARG A 33 15.652 2.034 7.331 1.00 0.38 H new ATOM 0 HG3 ARG A 33 16.121 1.852 9.010 1.00 0.38 H new ATOM 0 HD2 ARG A 33 15.644 -0.332 6.962 1.00 0.37 H new ATOM 0 HD3 ARG A 33 17.131 0.041 7.813 1.00 0.37 H new ATOM 0 HE ARG A 33 14.792 -0.833 9.436 1.00 0.36 H new ATOM 0 HH11 ARG A 33 17.931 -1.569 7.991 1.00 1.01 H new ATOM 0 HH12 ARG A 33 18.208 -2.969 9.032 1.00 1.01 H new ATOM 0 HH21 ARG A 33 15.153 -2.627 10.761 1.00 0.84 H new ATOM 0 HH22 ARG A 33 16.639 -3.567 10.596 1.00 0.84 H new ATOM 517 N LEU A 34 10.916 1.719 8.176 1.00 0.14 N ATOM 518 CA LEU A 34 9.578 1.633 8.756 1.00 0.15 C ATOM 519 C LEU A 34 8.575 1.068 7.754 1.00 0.16 C ATOM 520 O LEU A 34 7.495 0.619 8.141 1.00 0.17 O ATOM 521 CB LEU A 34 9.112 3.000 9.286 1.00 0.13 C ATOM 522 CG LEU A 34 8.930 4.102 8.236 1.00 0.07 C ATOM 523 CD1 LEU A 34 7.467 4.239 7.840 1.00 0.12 C ATOM 524 CD2 LEU A 34 9.459 5.424 8.764 1.00 0.04 C ATOM 0 H LEU A 34 11.160 2.635 7.800 1.00 0.14 H new ATOM 0 HA LEU A 34 9.631 0.946 9.600 1.00 0.15 H new ATOM 0 HB2 LEU A 34 8.164 2.862 9.806 1.00 0.13 H new ATOM 0 HB3 LEU A 34 9.834 3.346 10.025 1.00 0.13 H new ATOM 0 HG LEU A 34 9.498 3.824 7.348 1.00 0.07 H new ATOM 0 HD11 LEU A 34 7.364 5.027 7.094 1.00 0.12 H new ATOM 0 HD12 LEU A 34 7.113 3.296 7.423 1.00 0.12 H new ATOM 0 HD13 LEU A 34 6.874 4.492 8.719 1.00 0.12 H new ATOM 0 HD21 LEU A 34 9.324 6.198 8.008 1.00 0.04 H new ATOM 0 HD22 LEU A 34 8.914 5.699 9.667 1.00 0.04 H new ATOM 0 HD23 LEU A 34 10.519 5.325 8.996 1.00 0.04 H new ATOM 536 N VAL A 35 8.936 1.089 6.472 1.00 0.16 N ATOM 537 CA VAL A 35 8.067 0.562 5.419 1.00 0.16 C ATOM 538 C VAL A 35 7.779 -0.919 5.659 1.00 0.13 C ATOM 539 O VAL A 35 6.624 -1.347 5.679 1.00 0.12 O ATOM 540 CB VAL A 35 8.699 0.723 4.019 1.00 0.20 C ATOM 541 CG1 VAL A 35 7.768 0.191 2.939 1.00 0.18 C ATOM 542 CG2 VAL A 35 9.052 2.174 3.742 1.00 0.25 C ATOM 0 H VAL A 35 9.823 1.465 6.137 1.00 0.16 H new ATOM 0 HA VAL A 35 7.141 1.136 5.453 1.00 0.16 H new ATOM 0 HB VAL A 35 9.619 0.138 4.002 1.00 0.20 H new ATOM 0 HG11 VAL A 35 8.235 0.316 1.962 1.00 0.18 H new ATOM 0 HG12 VAL A 35 7.573 -0.867 3.116 1.00 0.18 H new ATOM 0 HG13 VAL A 35 6.828 0.743 2.965 1.00 0.18 H new ATOM 0 HG21 VAL A 35 9.495 2.258 2.750 1.00 0.25 H new ATOM 0 HG22 VAL A 35 8.149 2.783 3.789 1.00 0.25 H new ATOM 0 HG23 VAL A 35 9.765 2.524 4.488 1.00 0.25 H new ATOM 552 N ALA A 36 8.843 -1.689 5.861 1.00 0.14 N ATOM 553 CA ALA A 36 8.725 -3.123 6.097 1.00 0.15 C ATOM 554 C ALA A 36 7.977 -3.411 7.392 1.00 0.12 C ATOM 555 O ALA A 36 7.106 -4.279 7.434 1.00 0.11 O ATOM 556 CB ALA A 36 10.102 -3.759 6.135 1.00 0.18 C ATOM 0 H ALA A 36 9.802 -1.341 5.866 1.00 0.14 H new ATOM 0 HA ALA A 36 8.153 -3.555 5.276 1.00 0.15 H new ATOM 0 HB1 ALA A 36 10.003 -4.830 6.312 1.00 0.18 H new ATOM 0 HB2 ALA A 36 10.606 -3.593 5.183 1.00 0.18 H new ATOM 0 HB3 ALA A 36 10.688 -3.311 6.938 1.00 0.18 H new ATOM 562 N ALA A 37 8.316 -2.668 8.439 1.00 0.13 N ATOM 563 CA ALA A 37 7.690 -2.841 9.747 1.00 0.11 C ATOM 564 C ALA A 37 6.185 -2.605 9.676 1.00 0.14 C ATOM 565 O ALA A 37 5.410 -3.305 10.323 1.00 0.20 O ATOM 566 CB ALA A 37 8.325 -1.901 10.762 1.00 0.13 C ATOM 0 H ALA A 37 9.025 -1.935 8.408 1.00 0.13 H new ATOM 0 HA ALA A 37 7.853 -3.871 10.065 1.00 0.11 H new ATOM 0 HB1 ALA A 37 7.850 -2.039 11.733 1.00 0.13 H new ATOM 0 HB2 ALA A 37 9.390 -2.120 10.844 1.00 0.13 H new ATOM 0 HB3 ALA A 37 8.191 -0.869 10.436 1.00 0.13 H new ATOM 572 N PHE A 38 5.780 -1.627 8.875 1.00 0.15 N ATOM 573 CA PHE A 38 4.372 -1.292 8.716 1.00 0.21 C ATOM 574 C PHE A 38 3.587 -2.466 8.133 1.00 0.21 C ATOM 575 O PHE A 38 2.495 -2.791 8.597 1.00 0.28 O ATOM 576 CB PHE A 38 4.229 -0.057 7.819 1.00 0.26 C ATOM 577 CG PHE A 38 2.808 0.357 7.578 1.00 0.34 C ATOM 578 CD1 PHE A 38 1.983 0.709 8.635 1.00 0.35 C ATOM 579 CD2 PHE A 38 2.297 0.398 6.293 1.00 0.41 C ATOM 580 CE1 PHE A 38 0.676 1.088 8.416 1.00 0.43 C ATOM 581 CE2 PHE A 38 0.990 0.778 6.067 1.00 0.50 C ATOM 582 CZ PHE A 38 0.178 1.124 7.128 1.00 0.50 C ATOM 0 H PHE A 38 6.413 -1.049 8.322 1.00 0.15 H new ATOM 0 HA PHE A 38 3.959 -1.071 9.700 1.00 0.21 H new ATOM 0 HB2 PHE A 38 4.767 0.775 8.274 1.00 0.26 H new ATOM 0 HB3 PHE A 38 4.706 -0.259 6.860 1.00 0.26 H new ATOM 0 HD1 PHE A 38 2.369 0.686 9.643 1.00 0.35 H new ATOM 0 HD2 PHE A 38 2.928 0.130 5.458 1.00 0.41 H new ATOM 0 HE1 PHE A 38 0.043 1.356 9.249 1.00 0.43 H new ATOM 0 HE2 PHE A 38 0.602 0.805 5.059 1.00 0.50 H new ATOM 0 HZ PHE A 38 -0.845 1.422 6.952 1.00 0.50 H new ATOM 592 N VAL A 39 4.162 -3.112 7.129 1.00 0.16 N ATOM 593 CA VAL A 39 3.514 -4.248 6.485 1.00 0.17 C ATOM 594 C VAL A 39 3.552 -5.469 7.395 1.00 0.16 C ATOM 595 O VAL A 39 2.559 -6.184 7.538 1.00 0.18 O ATOM 596 CB VAL A 39 4.181 -4.592 5.136 1.00 0.15 C ATOM 597 CG1 VAL A 39 3.441 -5.726 4.435 1.00 0.17 C ATOM 598 CG2 VAL A 39 4.245 -3.364 4.239 1.00 0.15 C ATOM 0 H VAL A 39 5.074 -2.870 6.742 1.00 0.16 H new ATOM 0 HA VAL A 39 2.478 -3.966 6.295 1.00 0.17 H new ATOM 0 HB VAL A 39 5.199 -4.924 5.340 1.00 0.15 H new ATOM 0 HG11 VAL A 39 3.931 -5.949 3.487 1.00 0.17 H new ATOM 0 HG12 VAL A 39 3.453 -6.614 5.067 1.00 0.17 H new ATOM 0 HG13 VAL A 39 2.410 -5.427 4.249 1.00 0.17 H new ATOM 0 HG21 VAL A 39 4.719 -3.628 3.294 1.00 0.15 H new ATOM 0 HG22 VAL A 39 3.236 -2.999 4.050 1.00 0.15 H new ATOM 0 HG23 VAL A 39 4.827 -2.584 4.731 1.00 0.15 H new ATOM 608 N ASP A 40 4.701 -5.688 8.024 1.00 0.12 N ATOM 609 CA ASP A 40 4.892 -6.820 8.926 1.00 0.11 C ATOM 610 C ASP A 40 3.909 -6.758 10.092 1.00 0.12 C ATOM 611 O ASP A 40 3.254 -7.748 10.421 1.00 0.13 O ATOM 612 CB ASP A 40 6.327 -6.829 9.450 1.00 0.09 C ATOM 613 CG ASP A 40 6.665 -8.084 10.225 1.00 0.09 C ATOM 614 OD1 ASP A 40 7.132 -9.061 9.607 1.00 1.03 O ATOM 615 OD2 ASP A 40 6.502 -8.087 11.466 1.00 1.14 O1- ATOM 0 H ASP A 40 5.522 -5.091 7.925 1.00 0.12 H new ATOM 0 HA ASP A 40 4.705 -7.739 8.371 1.00 0.11 H new ATOM 0 HB2 ASP A 40 7.015 -6.730 8.611 1.00 0.09 H new ATOM 0 HB3 ASP A 40 6.480 -5.961 10.091 1.00 0.09 H new ATOM 620 N ASP A 41 3.801 -5.579 10.698 1.00 0.12 N ATOM 621 CA ASP A 41 2.896 -5.371 11.824 1.00 0.13 C ATOM 622 C ASP A 41 1.450 -5.555 11.394 1.00 0.09 C ATOM 623 O ASP A 41 0.650 -6.163 12.110 1.00 0.07 O ATOM 624 CB ASP A 41 3.077 -3.972 12.420 1.00 0.16 C ATOM 625 CG ASP A 41 4.219 -3.900 13.413 1.00 0.13 C ATOM 626 OD1 ASP A 41 4.626 -4.954 13.940 1.00 0.22 O ATOM 627 OD2 ASP A 41 4.710 -2.780 13.685 1.00 0.12 O1- ATOM 0 H ASP A 41 4.331 -4.751 10.427 1.00 0.12 H new ATOM 0 HA ASP A 41 3.140 -6.113 12.584 1.00 0.13 H new ATOM 0 HB2 ASP A 41 3.256 -3.259 11.615 1.00 0.16 H new ATOM 0 HB3 ASP A 41 2.153 -3.670 12.913 1.00 0.16 H new ATOM 632 N LYS A 42 1.121 -5.035 10.216 1.00 0.10 N ATOM 633 CA LYS A 42 -0.233 -5.136 9.685 1.00 0.11 C ATOM 634 C LYS A 42 -0.597 -6.596 9.428 1.00 0.03 C ATOM 635 O LYS A 42 -1.719 -7.026 9.692 1.00 0.07 O ATOM 636 CB LYS A 42 -0.367 -4.315 8.397 1.00 0.19 C ATOM 637 CG LYS A 42 -1.786 -3.834 8.122 1.00 0.26 C ATOM 638 CD LYS A 42 -1.828 -2.338 7.846 1.00 0.28 C ATOM 639 CE LYS A 42 -3.152 -1.729 8.281 1.00 0.31 C ATOM 640 NZ LYS A 42 -3.069 -0.250 8.387 1.00 0.38 N1+ ATOM 0 H LYS A 42 1.775 -4.539 9.610 1.00 0.10 H new ATOM 0 HA LYS A 42 -0.925 -4.732 10.424 1.00 0.11 H new ATOM 0 HB2 LYS A 42 0.295 -3.451 8.457 1.00 0.19 H new ATOM 0 HB3 LYS A 42 -0.028 -4.918 7.555 1.00 0.19 H new ATOM 0 HG2 LYS A 42 -2.194 -4.374 7.267 1.00 0.26 H new ATOM 0 HG3 LYS A 42 -2.421 -4.065 8.977 1.00 0.26 H new ATOM 0 HD2 LYS A 42 -1.010 -1.847 8.372 1.00 0.28 H new ATOM 0 HD3 LYS A 42 -1.676 -2.159 6.782 1.00 0.28 H new ATOM 0 HE2 LYS A 42 -3.929 -1.999 7.566 1.00 0.31 H new ATOM 0 HE3 LYS A 42 -3.446 -2.147 9.244 1.00 0.31 H new ATOM 0 HZ1 LYS A 42 -4.010 0.136 8.603 1.00 0.38 H new ATOM 0 HZ2 LYS A 42 -2.407 0.007 9.147 1.00 0.38 H new ATOM 0 HZ3 LYS A 42 -2.732 0.144 7.486 1.00 0.38 H new ATOM 654 N MET A 43 0.356 -7.362 8.916 1.00 0.07 N ATOM 655 CA MET A 43 0.126 -8.775 8.648 1.00 0.12 C ATOM 656 C MET A 43 -0.046 -9.534 9.955 1.00 0.16 C ATOM 657 O MET A 43 -0.896 -10.417 10.066 1.00 0.35 O ATOM 658 CB MET A 43 1.280 -9.379 7.844 1.00 0.18 C ATOM 659 CG MET A 43 1.190 -9.120 6.348 1.00 0.16 C ATOM 660 SD MET A 43 2.410 -10.055 5.405 1.00 0.26 S ATOM 661 CE MET A 43 1.797 -11.725 5.614 1.00 0.29 C ATOM 0 H MET A 43 1.291 -7.031 8.679 1.00 0.07 H new ATOM 0 HA MET A 43 -0.786 -8.862 8.057 1.00 0.12 H new ATOM 0 HB2 MET A 43 2.221 -8.974 8.217 1.00 0.18 H new ATOM 0 HB3 MET A 43 1.306 -10.455 8.016 1.00 0.18 H new ATOM 0 HG2 MET A 43 0.191 -9.379 5.998 1.00 0.16 H new ATOM 0 HG3 MET A 43 1.329 -8.056 6.159 1.00 0.16 H new ATOM 0 HE1 MET A 43 2.287 -12.385 4.898 1.00 0.29 H new ATOM 0 HE2 MET A 43 2.010 -12.067 6.627 1.00 0.29 H new ATOM 0 HE3 MET A 43 0.720 -11.741 5.444 1.00 0.29 H new ATOM 671 N HIS A 44 0.745 -9.161 10.953 1.00 0.02 N ATOM 672 CA HIS A 44 0.693 -9.806 12.260 1.00 0.04 C ATOM 673 C HIS A 44 -0.674 -9.610 12.918 1.00 0.05 C ATOM 674 O HIS A 44 -1.243 -10.556 13.462 1.00 0.20 O ATOM 675 CB HIS A 44 1.798 -9.254 13.171 1.00 0.08 C ATOM 676 CG HIS A 44 2.266 -10.225 14.214 1.00 0.11 C ATOM 677 ND1 HIS A 44 3.599 -10.499 14.437 1.00 0.27 N ATOM 678 CD2 HIS A 44 1.576 -10.982 15.103 1.00 0.29 C ATOM 679 CE1 HIS A 44 3.708 -11.380 15.414 1.00 0.38 C ATOM 680 NE2 HIS A 44 2.497 -11.689 15.834 1.00 0.40 N ATOM 0 H HIS A 44 1.433 -8.412 10.882 1.00 0.02 H new ATOM 0 HA HIS A 44 0.852 -10.874 12.114 1.00 0.04 H new ATOM 0 HB2 HIS A 44 2.648 -8.958 12.556 1.00 0.08 H new ATOM 0 HB3 HIS A 44 1.433 -8.353 13.665 1.00 0.08 H new ATOM 0 HD2 HIS A 44 0.502 -11.021 15.215 1.00 0.29 H new ATOM 0 HE1 HIS A 44 4.633 -11.780 15.803 1.00 0.38 H new ATOM 0 HE2 HIS A 44 2.280 -12.348 16.582 1.00 0.40 H new ATOM 689 N GLU A 45 -1.211 -8.393 12.828 1.00 0.16 N ATOM 690 CA GLU A 45 -2.505 -8.081 13.438 1.00 0.15 C ATOM 691 C GLU A 45 -3.654 -8.813 12.741 1.00 0.15 C ATOM 692 O GLU A 45 -4.720 -8.998 13.324 1.00 0.17 O ATOM 693 CB GLU A 45 -2.766 -6.567 13.439 1.00 0.12 C ATOM 694 CG GLU A 45 -3.199 -6.007 12.091 1.00 0.09 C ATOM 695 CD GLU A 45 -3.679 -4.574 12.184 1.00 0.12 C ATOM 696 OE1 GLU A 45 -2.835 -3.670 12.350 1.00 0.16 O ATOM 697 OE2 GLU A 45 -4.903 -4.346 12.100 1.00 0.21 O1- ATOM 0 H GLU A 45 -0.773 -7.611 12.342 1.00 0.16 H new ATOM 0 HA GLU A 45 -2.461 -8.429 14.470 1.00 0.15 H new ATOM 0 HB2 GLU A 45 -3.536 -6.343 14.177 1.00 0.12 H new ATOM 0 HB3 GLU A 45 -1.859 -6.054 13.759 1.00 0.12 H new ATOM 0 HG2 GLU A 45 -2.363 -6.062 11.393 1.00 0.09 H new ATOM 0 HG3 GLU A 45 -3.996 -6.628 11.683 1.00 0.09 H new ATOM 704 N PHE A 46 -3.446 -9.218 11.496 1.00 0.15 N ATOM 705 CA PHE A 46 -4.481 -9.931 10.759 1.00 0.14 C ATOM 706 C PHE A 46 -4.278 -11.442 10.854 1.00 0.16 C ATOM 707 O PHE A 46 -5.224 -12.216 10.698 1.00 0.17 O ATOM 708 CB PHE A 46 -4.506 -9.487 9.295 1.00 0.14 C ATOM 709 CG PHE A 46 -5.266 -8.209 9.067 1.00 0.15 C ATOM 710 CD1 PHE A 46 -6.621 -8.131 9.352 1.00 0.18 C ATOM 711 CD2 PHE A 46 -4.626 -7.086 8.569 1.00 0.13 C ATOM 712 CE1 PHE A 46 -7.320 -6.955 9.144 1.00 0.19 C ATOM 713 CE2 PHE A 46 -5.321 -5.909 8.361 1.00 0.14 C ATOM 714 CZ PHE A 46 -6.669 -5.845 8.647 1.00 0.17 C ATOM 0 H PHE A 46 -2.580 -9.067 10.979 1.00 0.15 H new ATOM 0 HA PHE A 46 -5.442 -9.687 11.211 1.00 0.14 H new ATOM 0 HB2 PHE A 46 -3.482 -9.358 8.945 1.00 0.14 H new ATOM 0 HB3 PHE A 46 -4.952 -10.278 8.692 1.00 0.14 H new ATOM 0 HD1 PHE A 46 -7.136 -8.997 9.740 1.00 0.18 H new ATOM 0 HD2 PHE A 46 -3.571 -7.130 8.340 1.00 0.13 H new ATOM 0 HE1 PHE A 46 -8.375 -6.906 9.371 1.00 0.19 H new ATOM 0 HE2 PHE A 46 -4.809 -5.040 7.975 1.00 0.14 H new ATOM 0 HZ PHE A 46 -7.214 -4.927 8.482 1.00 0.17 H new ATOM 724 N SER A 47 -3.046 -11.857 11.130 1.00 0.21 N ATOM 725 CA SER A 47 -2.720 -13.274 11.260 1.00 0.23 C ATOM 726 C SER A 47 -3.455 -13.881 12.453 1.00 0.21 C ATOM 727 O SER A 47 -3.885 -15.033 12.416 1.00 0.32 O ATOM 728 CB SER A 47 -1.208 -13.471 11.418 1.00 0.25 C ATOM 729 OG SER A 47 -0.508 -13.035 10.261 1.00 0.76 O ATOM 0 H SER A 47 -2.254 -11.230 11.269 1.00 0.21 H new ATOM 0 HA SER A 47 -3.042 -13.782 10.351 1.00 0.23 H new ATOM 0 HB2 SER A 47 -0.856 -12.918 12.289 1.00 0.25 H new ATOM 0 HB3 SER A 47 -0.993 -14.524 11.601 1.00 0.25 H new ATOM 0 HG SER A 47 -0.778 -12.119 10.041 1.00 0.76 H new ATOM 735 N GLU A 48 -3.613 -13.081 13.498 1.00 0.09 N ATOM 736 CA GLU A 48 -4.296 -13.518 14.710 1.00 0.08 C ATOM 737 C GLU A 48 -5.810 -13.567 14.511 1.00 0.10 C ATOM 738 O GLU A 48 -6.524 -14.228 15.266 1.00 0.07 O ATOM 739 CB GLU A 48 -3.946 -12.590 15.877 1.00 0.11 C ATOM 740 CG GLU A 48 -4.193 -11.120 15.585 1.00 0.06 C ATOM 741 CD GLU A 48 -4.645 -10.358 16.806 1.00 0.28 C ATOM 742 OE1 GLU A 48 -5.864 -10.318 17.068 1.00 0.49 O1- ATOM 743 OE2 GLU A 48 -3.786 -9.797 17.517 1.00 0.61 O ATOM 0 H GLU A 48 -3.275 -12.119 13.532 1.00 0.09 H new ATOM 0 HA GLU A 48 -3.956 -14.528 14.940 1.00 0.08 H new ATOM 0 HB2 GLU A 48 -4.531 -12.881 16.749 1.00 0.11 H new ATOM 0 HB3 GLU A 48 -2.897 -12.728 16.137 1.00 0.11 H new ATOM 0 HG2 GLU A 48 -3.278 -10.671 15.198 1.00 0.06 H new ATOM 0 HG3 GLU A 48 -4.948 -11.030 14.804 1.00 0.06 H new ATOM 750 N LYS A 49 -6.302 -12.865 13.495 1.00 0.14 N ATOM 751 CA LYS A 49 -7.731 -12.846 13.213 1.00 0.18 C ATOM 752 C LYS A 49 -8.110 -14.026 12.331 1.00 0.27 C ATOM 753 O LYS A 49 -9.241 -14.517 12.389 1.00 0.38 O ATOM 754 CB LYS A 49 -8.144 -11.535 12.533 1.00 0.12 C ATOM 755 CG LYS A 49 -8.738 -10.505 13.485 1.00 0.20 C ATOM 756 CD LYS A 49 -7.659 -9.698 14.190 1.00 0.43 C ATOM 757 CE LYS A 49 -8.237 -8.821 15.292 1.00 0.64 C ATOM 758 NZ LYS A 49 -8.358 -9.552 16.582 1.00 0.88 N1+ ATOM 0 H LYS A 49 -5.736 -12.305 12.858 1.00 0.14 H new ATOM 0 HA LYS A 49 -8.260 -12.922 14.163 1.00 0.18 H new ATOM 0 HB2 LYS A 49 -7.272 -11.102 12.043 1.00 0.12 H new ATOM 0 HB3 LYS A 49 -8.872 -11.756 11.752 1.00 0.12 H new ATOM 0 HG2 LYS A 49 -9.391 -9.832 12.930 1.00 0.20 H new ATOM 0 HG3 LYS A 49 -9.357 -11.010 14.227 1.00 0.20 H new ATOM 0 HD2 LYS A 49 -6.918 -10.375 14.615 1.00 0.43 H new ATOM 0 HD3 LYS A 49 -7.139 -9.073 13.463 1.00 0.43 H new ATOM 0 HE2 LYS A 49 -7.601 -7.946 15.430 1.00 0.64 H new ATOM 0 HE3 LYS A 49 -9.219 -8.457 14.988 1.00 0.64 H new ATOM 0 HZ1 LYS A 49 -8.543 -8.874 17.349 1.00 0.88 H new ATOM 0 HZ2 LYS A 49 -9.143 -10.231 16.524 1.00 0.88 H new ATOM 0 HZ3 LYS A 49 -7.473 -10.062 16.776 1.00 0.88 H new ATOM 772 N GLN A 50 -7.150 -14.472 11.522 1.00 0.30 N ATOM 773 CA GLN A 50 -7.341 -15.599 10.612 1.00 0.41 C ATOM 774 C GLN A 50 -8.550 -15.390 9.696 1.00 0.29 C ATOM 775 O GLN A 50 -9.579 -16.045 9.854 1.00 0.47 O ATOM 776 CB GLN A 50 -7.497 -16.899 11.405 1.00 0.63 C ATOM 777 CG GLN A 50 -6.237 -17.313 12.149 1.00 0.78 C ATOM 778 CD GLN A 50 -6.437 -17.414 13.650 1.00 0.93 C ATOM 779 OE1 GLN A 50 -7.533 -17.716 14.130 1.00 0.94 O ATOM 780 NE2 GLN A 50 -5.382 -17.150 14.400 1.00 1.07 N ATOM 0 H GLN A 50 -6.217 -14.061 11.479 1.00 0.30 H new ATOM 0 HA GLN A 50 -6.455 -15.667 9.980 1.00 0.41 H new ATOM 0 HB2 GLN A 50 -8.310 -16.782 12.121 1.00 0.63 H new ATOM 0 HB3 GLN A 50 -7.785 -17.699 10.723 1.00 0.63 H new ATOM 0 HG2 GLN A 50 -5.898 -18.276 11.768 1.00 0.78 H new ATOM 0 HG3 GLN A 50 -5.446 -16.592 11.942 1.00 0.78 H new ATOM 0 HE21 GLN A 50 -4.494 -16.904 13.963 1.00 1.07 H new ATOM 0 HE22 GLN A 50 -5.456 -17.192 15.416 1.00 1.07 H new ATOM 789 N PRO A 51 -8.443 -14.464 8.725 1.00 0.11 N ATOM 790 CA PRO A 51 -9.534 -14.182 7.791 1.00 0.09 C ATOM 791 C PRO A 51 -9.903 -15.394 6.940 1.00 0.05 C ATOM 792 O PRO A 51 -11.006 -15.929 7.056 1.00 0.20 O ATOM 793 CB PRO A 51 -9.004 -13.043 6.912 1.00 0.32 C ATOM 794 CG PRO A 51 -7.528 -12.995 7.142 1.00 0.44 C ATOM 795 CD PRO A 51 -7.266 -13.613 8.485 1.00 0.34 C ATOM 0 HA PRO A 51 -10.449 -13.919 8.322 1.00 0.09 H new ATOM 0 HB2 PRO A 51 -9.229 -13.225 5.861 1.00 0.32 H new ATOM 0 HB3 PRO A 51 -9.471 -12.095 7.179 1.00 0.32 H new ATOM 0 HG2 PRO A 51 -6.999 -13.538 6.359 1.00 0.44 H new ATOM 0 HG3 PRO A 51 -7.168 -11.967 7.115 1.00 0.44 H new ATOM 0 HD2 PRO A 51 -6.346 -14.197 8.482 1.00 0.34 H new ATOM 0 HD3 PRO A 51 -7.159 -12.853 9.259 1.00 0.34 H new ATOM 803 N MET A 52 -8.974 -15.831 6.092 1.00 0.10 N ATOM 804 CA MET A 52 -9.215 -16.981 5.225 1.00 0.14 C ATOM 805 C MET A 52 -8.369 -18.174 5.645 1.00 0.14 C ATOM 806 O MET A 52 -8.398 -19.218 4.997 1.00 0.16 O ATOM 807 CB MET A 52 -8.918 -16.632 3.766 1.00 0.25 C ATOM 808 CG MET A 52 -9.713 -15.445 3.239 1.00 0.17 C ATOM 809 SD MET A 52 -11.480 -15.569 3.576 1.00 0.22 S ATOM 810 CE MET A 52 -11.906 -17.036 2.640 1.00 1.11 C ATOM 0 H MET A 52 -8.052 -15.408 5.987 1.00 0.10 H new ATOM 0 HA MET A 52 -10.267 -17.247 5.322 1.00 0.14 H new ATOM 0 HB2 MET A 52 -7.854 -16.418 3.664 1.00 0.25 H new ATOM 0 HB3 MET A 52 -9.129 -17.502 3.145 1.00 0.25 H new ATOM 0 HG2 MET A 52 -9.327 -14.529 3.688 1.00 0.17 H new ATOM 0 HG3 MET A 52 -9.560 -15.362 2.163 1.00 0.17 H new ATOM 0 HE1 MET A 52 -12.989 -17.161 2.633 1.00 1.11 H new ATOM 0 HE2 MET A 52 -11.546 -16.932 1.616 1.00 1.11 H new ATOM 0 HE3 MET A 52 -11.443 -17.909 3.100 1.00 1.11 H new ATOM 820 N LEU A 53 -7.602 -18.000 6.724 1.00 0.15 N ATOM 821 CA LEU A 53 -6.741 -19.060 7.264 1.00 0.17 C ATOM 822 C LEU A 53 -5.723 -19.564 6.237 1.00 0.20 C ATOM 823 O LEU A 53 -5.616 -20.764 5.997 1.00 0.41 O ATOM 824 CB LEU A 53 -7.593 -20.227 7.771 1.00 0.19 C ATOM 825 CG LEU A 53 -8.234 -20.014 9.141 1.00 0.36 C ATOM 826 CD1 LEU A 53 -9.539 -20.781 9.241 1.00 0.31 C ATOM 827 CD2 LEU A 53 -7.277 -20.449 10.238 1.00 0.51 C ATOM 0 H LEU A 53 -7.559 -17.125 7.247 1.00 0.15 H new ATOM 0 HA LEU A 53 -6.181 -18.627 8.093 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -8.382 -20.423 7.045 1.00 0.19 H new ATOM 0 HB3 LEU A 53 -6.970 -21.120 7.814 1.00 0.19 H new ATOM 0 HG LEU A 53 -8.450 -18.953 9.265 1.00 0.36 H new ATOM 0 HD11 LEU A 53 -9.982 -20.618 10.223 1.00 0.31 H new ATOM 0 HD12 LEU A 53 -10.226 -20.432 8.470 1.00 0.31 H new ATOM 0 HD13 LEU A 53 -9.347 -21.845 9.101 1.00 0.31 H new ATOM 0 HD21 LEU A 53 -7.743 -20.293 11.211 1.00 0.51 H new ATOM 0 HD22 LEU A 53 -7.039 -21.505 10.115 1.00 0.51 H new ATOM 0 HD23 LEU A 53 -6.361 -19.861 10.176 1.00 0.51 H new ATOM 839 N ASP A 54 -4.959 -18.647 5.653 1.00 0.04 N ATOM 840 CA ASP A 54 -3.953 -19.016 4.660 1.00 0.08 C ATOM 841 C ASP A 54 -2.899 -17.917 4.545 1.00 0.06 C ATOM 842 O ASP A 54 -3.200 -16.743 4.760 1.00 0.07 O ATOM 843 CB ASP A 54 -4.606 -19.289 3.301 1.00 0.12 C ATOM 844 CG ASP A 54 -3.684 -20.022 2.350 1.00 0.14 C ATOM 845 OD1 ASP A 54 -2.658 -20.568 2.809 1.00 0.21 O ATOM 846 OD2 ASP A 54 -3.921 -20.047 1.135 1.00 0.47 O1- ATOM 0 H ASP A 54 -5.015 -17.647 5.848 1.00 0.04 H new ATOM 0 HA ASP A 54 -3.463 -19.933 4.986 1.00 0.08 H new ATOM 0 HB2 ASP A 54 -5.512 -19.877 3.449 1.00 0.12 H new ATOM 0 HB3 ASP A 54 -4.909 -18.344 2.851 1.00 0.12 H new ATOM 851 N VAL A 55 -1.673 -18.307 4.213 1.00 0.06 N ATOM 852 CA VAL A 55 -0.553 -17.367 4.097 1.00 0.07 C ATOM 853 C VAL A 55 -0.728 -16.354 2.948 1.00 0.06 C ATOM 854 O VAL A 55 -0.660 -15.148 3.187 1.00 0.06 O ATOM 855 CB VAL A 55 0.797 -18.104 3.933 1.00 0.09 C ATOM 856 CG1 VAL A 55 1.959 -17.130 4.046 1.00 0.08 C ATOM 857 CG2 VAL A 55 0.934 -19.214 4.966 1.00 0.13 C ATOM 0 H VAL A 55 -1.424 -19.276 4.017 1.00 0.06 H new ATOM 0 HA VAL A 55 -0.548 -16.809 5.033 1.00 0.07 H new ATOM 0 HB VAL A 55 0.818 -18.553 2.940 1.00 0.09 H new ATOM 0 HG11 VAL A 55 2.899 -17.669 3.928 1.00 0.08 H new ATOM 0 HG12 VAL A 55 1.875 -16.372 3.267 1.00 0.08 H new ATOM 0 HG13 VAL A 55 1.937 -16.649 5.024 1.00 0.08 H new ATOM 0 HG21 VAL A 55 1.891 -19.719 4.833 1.00 0.13 H new ATOM 0 HG22 VAL A 55 0.886 -18.787 5.968 1.00 0.13 H new ATOM 0 HG23 VAL A 55 0.124 -19.932 4.838 1.00 0.13 H new ATOM 867 N PRO A 56 -0.964 -16.797 1.689 1.00 0.05 N ATOM 868 CA PRO A 56 -1.125 -15.867 0.564 1.00 0.04 C ATOM 869 C PRO A 56 -2.346 -14.966 0.720 1.00 0.04 C ATOM 870 O PRO A 56 -2.352 -13.825 0.255 1.00 0.04 O ATOM 871 CB PRO A 56 -1.281 -16.775 -0.659 1.00 0.05 C ATOM 872 CG PRO A 56 -1.700 -18.094 -0.118 1.00 0.06 C ATOM 873 CD PRO A 56 -1.087 -18.202 1.253 1.00 0.06 C ATOM 0 HA PRO A 56 -0.277 -15.187 0.489 1.00 0.04 H new ATOM 0 HB2 PRO A 56 -2.025 -16.379 -1.350 1.00 0.05 H new ATOM 0 HB3 PRO A 56 -0.344 -16.856 -1.211 1.00 0.05 H new ATOM 0 HG2 PRO A 56 -2.786 -18.165 -0.065 1.00 0.06 H new ATOM 0 HG3 PRO A 56 -1.358 -18.905 -0.762 1.00 0.06 H new ATOM 0 HD2 PRO A 56 -1.718 -18.778 1.930 1.00 0.06 H new ATOM 0 HD3 PRO A 56 -0.117 -18.698 1.221 1.00 0.06 H new ATOM 881 N LYS A 57 -3.365 -15.475 1.405 1.00 0.05 N ATOM 882 CA LYS A 57 -4.592 -14.718 1.632 1.00 0.05 C ATOM 883 C LYS A 57 -4.382 -13.675 2.725 1.00 0.06 C ATOM 884 O LYS A 57 -5.218 -12.797 2.931 1.00 0.08 O ATOM 885 CB LYS A 57 -5.744 -15.654 2.021 1.00 0.06 C ATOM 886 CG LYS A 57 -6.509 -16.232 0.837 1.00 0.09 C ATOM 887 CD LYS A 57 -5.770 -17.396 0.190 1.00 0.11 C ATOM 888 CE LYS A 57 -6.693 -18.586 -0.032 1.00 0.12 C ATOM 889 NZ LYS A 57 -5.965 -19.778 -0.552 1.00 0.10 N1+ ATOM 0 H LYS A 57 -3.366 -16.410 1.813 1.00 0.05 H new ATOM 0 HA LYS A 57 -4.852 -14.211 0.703 1.00 0.05 H new ATOM 0 HB2 LYS A 57 -5.344 -16.475 2.616 1.00 0.06 H new ATOM 0 HB3 LYS A 57 -6.441 -15.109 2.658 1.00 0.06 H new ATOM 0 HG2 LYS A 57 -7.492 -16.567 1.170 1.00 0.09 H new ATOM 0 HG3 LYS A 57 -6.673 -15.450 0.095 1.00 0.09 H new ATOM 0 HD2 LYS A 57 -5.350 -17.077 -0.764 1.00 0.11 H new ATOM 0 HD3 LYS A 57 -4.934 -17.695 0.823 1.00 0.11 H new ATOM 0 HE2 LYS A 57 -7.182 -18.843 0.907 1.00 0.12 H new ATOM 0 HE3 LYS A 57 -7.478 -18.308 -0.735 1.00 0.12 H new ATOM 0 HZ1 LYS A 57 -6.503 -20.639 -0.327 1.00 0.10 H new ATOM 0 HZ2 LYS A 57 -5.857 -19.696 -1.583 1.00 0.10 H new ATOM 0 HZ3 LYS A 57 -5.026 -19.832 -0.109 1.00 0.10 H new ATOM 903 N LEU A 58 -3.257 -13.775 3.419 1.00 0.05 N ATOM 904 CA LEU A 58 -2.935 -12.847 4.495 1.00 0.06 C ATOM 905 C LEU A 58 -2.211 -11.622 3.944 1.00 0.06 C ATOM 906 O LEU A 58 -2.604 -10.484 4.197 1.00 0.08 O ATOM 907 CB LEU A 58 -2.051 -13.547 5.546 1.00 0.06 C ATOM 908 CG LEU A 58 -2.483 -13.419 7.011 1.00 0.11 C ATOM 909 CD1 LEU A 58 -2.472 -11.967 7.461 1.00 0.07 C ATOM 910 CD2 LEU A 58 -3.854 -14.041 7.226 1.00 0.17 C ATOM 0 H LEU A 58 -2.550 -14.492 3.256 1.00 0.05 H new ATOM 0 HA LEU A 58 -3.864 -12.523 4.964 1.00 0.06 H new ATOM 0 HB2 LEU A 58 -2.004 -14.607 5.298 1.00 0.06 H new ATOM 0 HB3 LEU A 58 -1.039 -13.153 5.455 1.00 0.06 H new ATOM 0 HG LEU A 58 -1.762 -13.963 7.621 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -2.783 -11.907 8.504 1.00 0.07 H new ATOM 0 HD12 LEU A 58 -1.465 -11.562 7.358 1.00 0.07 H new ATOM 0 HD13 LEU A 58 -3.160 -11.390 6.844 1.00 0.07 H new ATOM 0 HD21 LEU A 58 -4.140 -13.938 8.273 1.00 0.17 H new ATOM 0 HD22 LEU A 58 -4.586 -13.533 6.598 1.00 0.17 H new ATOM 0 HD23 LEU A 58 -3.820 -15.098 6.961 1.00 0.17 H new ATOM 922 N ALA A 59 -1.171 -11.874 3.163 1.00 0.05 N ATOM 923 CA ALA A 59 -0.357 -10.810 2.581 1.00 0.06 C ATOM 924 C ALA A 59 -1.142 -9.951 1.592 1.00 0.08 C ATOM 925 O ALA A 59 -0.964 -8.732 1.539 1.00 0.11 O ATOM 926 CB ALA A 59 0.863 -11.406 1.901 1.00 0.06 C ATOM 0 H ALA A 59 -0.866 -12.815 2.914 1.00 0.05 H new ATOM 0 HA ALA A 59 -0.044 -10.157 3.396 1.00 0.06 H new ATOM 0 HB1 ALA A 59 1.466 -10.607 1.469 1.00 0.06 H new ATOM 0 HB2 ALA A 59 1.457 -11.953 2.633 1.00 0.06 H new ATOM 0 HB3 ALA A 59 0.544 -12.087 1.112 1.00 0.06 H new ATOM 932 N VAL A 60 -2.011 -10.577 0.812 1.00 0.05 N ATOM 933 CA VAL A 60 -2.800 -9.849 -0.173 1.00 0.07 C ATOM 934 C VAL A 60 -3.870 -8.988 0.504 1.00 0.07 C ATOM 935 O VAL A 60 -4.281 -7.954 -0.030 1.00 0.08 O ATOM 936 CB VAL A 60 -3.453 -10.804 -1.197 1.00 0.07 C ATOM 937 CG1 VAL A 60 -4.631 -11.552 -0.587 1.00 0.07 C ATOM 938 CG2 VAL A 60 -3.884 -10.040 -2.441 1.00 0.08 C ATOM 0 H VAL A 60 -2.188 -11.581 0.841 1.00 0.05 H new ATOM 0 HA VAL A 60 -2.115 -9.193 -0.711 1.00 0.07 H new ATOM 0 HB VAL A 60 -2.707 -11.544 -1.487 1.00 0.07 H new ATOM 0 HG11 VAL A 60 -5.067 -12.215 -1.334 1.00 0.07 H new ATOM 0 HG12 VAL A 60 -4.287 -12.140 0.264 1.00 0.07 H new ATOM 0 HG13 VAL A 60 -5.383 -10.837 -0.253 1.00 0.07 H new ATOM 0 HG21 VAL A 60 -4.342 -10.729 -3.151 1.00 0.08 H new ATOM 0 HG22 VAL A 60 -4.606 -9.272 -2.164 1.00 0.08 H new ATOM 0 HG23 VAL A 60 -3.013 -9.571 -2.900 1.00 0.08 H new ATOM 948 N LEU A 61 -4.292 -9.400 1.694 1.00 0.07 N ATOM 949 CA LEU A 61 -5.308 -8.667 2.438 1.00 0.08 C ATOM 950 C LEU A 61 -4.743 -7.345 2.932 1.00 0.08 C ATOM 951 O LEU A 61 -5.406 -6.307 2.879 1.00 0.08 O ATOM 952 CB LEU A 61 -5.812 -9.497 3.621 1.00 0.10 C ATOM 953 CG LEU A 61 -7.053 -8.939 4.321 1.00 0.10 C ATOM 954 CD1 LEU A 61 -8.307 -9.266 3.526 1.00 0.11 C ATOM 955 CD2 LEU A 61 -7.153 -9.490 5.733 1.00 0.07 C ATOM 0 H LEU A 61 -3.946 -10.237 2.163 1.00 0.07 H new ATOM 0 HA LEU A 61 -6.147 -8.468 1.772 1.00 0.08 H new ATOM 0 HB2 LEU A 61 -6.034 -10.505 3.270 1.00 0.10 H new ATOM 0 HB3 LEU A 61 -5.009 -9.584 4.353 1.00 0.10 H new ATOM 0 HG LEU A 61 -6.961 -7.854 4.379 1.00 0.10 H new ATOM 0 HD11 LEU A 61 -9.179 -8.861 4.039 1.00 0.11 H new ATOM 0 HD12 LEU A 61 -8.233 -8.824 2.532 1.00 0.11 H new ATOM 0 HD13 LEU A 61 -8.409 -10.347 3.436 1.00 0.11 H new ATOM 0 HD21 LEU A 61 -8.040 -9.085 6.220 1.00 0.07 H new ATOM 0 HD22 LEU A 61 -7.224 -10.577 5.695 1.00 0.07 H new ATOM 0 HD23 LEU A 61 -6.266 -9.204 6.299 1.00 0.07 H new ATOM 967 N THR A 62 -3.508 -7.382 3.403 1.00 0.10 N ATOM 968 CA THR A 62 -2.855 -6.189 3.897 1.00 0.11 C ATOM 969 C THR A 62 -2.486 -5.253 2.750 1.00 0.10 C ATOM 970 O THR A 62 -2.560 -4.035 2.891 1.00 0.13 O ATOM 971 CB THR A 62 -1.596 -6.549 4.707 1.00 0.13 C ATOM 972 OG1 THR A 62 -0.912 -7.643 4.087 1.00 0.12 O ATOM 973 CG2 THR A 62 -1.960 -6.929 6.126 1.00 0.15 C ATOM 0 H THR A 62 -2.940 -8.228 3.452 1.00 0.10 H new ATOM 0 HA THR A 62 -3.558 -5.675 4.552 1.00 0.11 H new ATOM 0 HB THR A 62 -0.946 -5.674 4.731 1.00 0.13 H new ATOM 0 HG1 THR A 62 -1.102 -7.645 3.126 1.00 0.12 H new ATOM 0 HG21 THR A 62 -1.055 -7.179 6.679 1.00 0.15 H new ATOM 0 HG22 THR A 62 -2.461 -6.091 6.610 1.00 0.15 H new ATOM 0 HG23 THR A 62 -2.627 -7.791 6.112 1.00 0.15 H new ATOM 981 N ALA A 63 -2.123 -5.835 1.608 1.00 0.08 N ATOM 982 CA ALA A 63 -1.744 -5.058 0.431 1.00 0.08 C ATOM 983 C ALA A 63 -2.880 -4.155 -0.035 1.00 0.07 C ATOM 984 O ALA A 63 -2.682 -2.967 -0.293 1.00 0.08 O ATOM 985 CB ALA A 63 -1.324 -5.992 -0.694 1.00 0.08 C ATOM 0 H ALA A 63 -2.084 -6.845 1.474 1.00 0.08 H new ATOM 0 HA ALA A 63 -0.904 -4.420 0.707 1.00 0.08 H new ATOM 0 HB1 ALA A 63 -1.043 -5.405 -1.568 1.00 0.08 H new ATOM 0 HB2 ALA A 63 -0.473 -6.592 -0.371 1.00 0.08 H new ATOM 0 HB3 ALA A 63 -2.155 -6.650 -0.950 1.00 0.08 H new ATOM 991 N VAL A 64 -4.073 -4.722 -0.130 1.00 0.07 N ATOM 992 CA VAL A 64 -5.233 -3.970 -0.585 1.00 0.08 C ATOM 993 C VAL A 64 -5.695 -2.939 0.452 1.00 0.09 C ATOM 994 O VAL A 64 -6.192 -1.873 0.087 1.00 0.12 O ATOM 995 CB VAL A 64 -6.396 -4.912 -0.976 1.00 0.08 C ATOM 996 CG1 VAL A 64 -7.013 -5.585 0.243 1.00 0.05 C ATOM 997 CG2 VAL A 64 -7.453 -4.163 -1.771 1.00 0.12 C ATOM 0 H VAL A 64 -4.263 -5.697 0.101 1.00 0.07 H new ATOM 0 HA VAL A 64 -4.923 -3.422 -1.475 1.00 0.08 H new ATOM 0 HB VAL A 64 -5.981 -5.698 -1.607 1.00 0.08 H new ATOM 0 HG11 VAL A 64 -7.826 -6.238 -0.074 1.00 0.05 H new ATOM 0 HG12 VAL A 64 -6.253 -6.174 0.757 1.00 0.05 H new ATOM 0 HG13 VAL A 64 -7.402 -4.825 0.920 1.00 0.05 H new ATOM 0 HG21 VAL A 64 -8.261 -4.845 -2.035 1.00 0.12 H new ATOM 0 HG22 VAL A 64 -7.850 -3.346 -1.169 1.00 0.12 H new ATOM 0 HG23 VAL A 64 -7.007 -3.760 -2.680 1.00 0.12 H new ATOM 1007 N GLN A 65 -5.513 -3.237 1.735 1.00 0.08 N ATOM 1008 CA GLN A 65 -5.921 -2.309 2.780 1.00 0.09 C ATOM 1009 C GLN A 65 -4.947 -1.142 2.871 1.00 0.07 C ATOM 1010 O GLN A 65 -5.358 0.000 3.077 1.00 0.12 O ATOM 1011 CB GLN A 65 -6.041 -3.010 4.134 1.00 0.10 C ATOM 1012 CG GLN A 65 -7.406 -3.662 4.371 1.00 0.10 C ATOM 1013 CD GLN A 65 -8.479 -2.683 4.835 1.00 0.24 C ATOM 1014 OE1 GLN A 65 -9.371 -3.048 5.604 1.00 0.81 O ATOM 1015 NE2 GLN A 65 -8.416 -1.440 4.376 1.00 0.31 N ATOM 0 H GLN A 65 -5.091 -4.103 2.071 1.00 0.08 H new ATOM 0 HA GLN A 65 -6.905 -1.924 2.514 1.00 0.09 H new ATOM 0 HB2 GLN A 65 -5.266 -3.773 4.208 1.00 0.10 H new ATOM 0 HB3 GLN A 65 -5.852 -2.286 4.926 1.00 0.10 H new ATOM 0 HG2 GLN A 65 -7.736 -4.139 3.448 1.00 0.10 H new ATOM 0 HG3 GLN A 65 -7.298 -4.450 5.117 1.00 0.10 H new ATOM 0 HE21 GLN A 65 -7.666 -1.168 3.741 1.00 0.31 H new ATOM 0 HE22 GLN A 65 -9.118 -0.756 4.658 1.00 0.31 H new ATOM 1024 N ILE A 66 -3.658 -1.431 2.715 1.00 0.02 N ATOM 1025 CA ILE A 66 -2.633 -0.398 2.755 1.00 0.03 C ATOM 1026 C ILE A 66 -2.860 0.609 1.627 1.00 0.05 C ATOM 1027 O ILE A 66 -2.738 1.820 1.817 1.00 0.18 O ATOM 1028 CB ILE A 66 -1.215 -1.011 2.645 1.00 0.10 C ATOM 1029 CG1 ILE A 66 -0.827 -1.664 3.978 1.00 0.74 C ATOM 1030 CG2 ILE A 66 -0.194 0.048 2.243 1.00 0.71 C ATOM 1031 CD1 ILE A 66 0.411 -2.534 3.906 1.00 1.29 C ATOM 0 H ILE A 66 -3.300 -2.374 2.560 1.00 0.02 H new ATOM 0 HA ILE A 66 -2.705 0.115 3.714 1.00 0.03 H new ATOM 0 HB ILE A 66 -1.223 -1.775 1.868 1.00 0.10 H new ATOM 0 HG12 ILE A 66 -0.665 -0.882 4.719 1.00 0.74 H new ATOM 0 HG13 ILE A 66 -1.663 -2.269 4.330 1.00 0.74 H new ATOM 0 HG21 ILE A 66 0.794 -0.407 2.172 1.00 0.71 H new ATOM 0 HG22 ILE A 66 -0.469 0.470 1.276 1.00 0.71 H new ATOM 0 HG23 ILE A 66 -0.176 0.839 2.992 1.00 0.71 H new ATOM 0 HD11 ILE A 66 0.616 -2.957 4.889 1.00 1.29 H new ATOM 0 HD12 ILE A 66 0.248 -3.340 3.191 1.00 1.29 H new ATOM 0 HD13 ILE A 66 1.261 -1.931 3.586 1.00 1.29 H new ATOM 1043 N ALA A 67 -3.223 0.093 0.463 1.00 0.07 N ATOM 1044 CA ALA A 67 -3.473 0.932 -0.701 1.00 0.05 C ATOM 1045 C ALA A 67 -4.685 1.839 -0.501 1.00 0.04 C ATOM 1046 O ALA A 67 -4.637 3.025 -0.820 1.00 0.03 O ATOM 1047 CB ALA A 67 -3.657 0.068 -1.938 1.00 0.06 C ATOM 0 H ALA A 67 -3.352 -0.905 0.298 1.00 0.07 H new ATOM 0 HA ALA A 67 -2.604 1.576 -0.837 1.00 0.05 H new ATOM 0 HB1 ALA A 67 -3.843 0.705 -2.802 1.00 0.06 H new ATOM 0 HB2 ALA A 67 -2.755 -0.520 -2.108 1.00 0.06 H new ATOM 0 HB3 ALA A 67 -4.505 -0.602 -1.791 1.00 0.06 H new ATOM 1053 N SER A 68 -5.759 1.292 0.051 1.00 0.05 N ATOM 1054 CA SER A 68 -6.983 2.059 0.261 1.00 0.07 C ATOM 1055 C SER A 68 -6.805 3.142 1.326 1.00 0.08 C ATOM 1056 O SER A 68 -7.216 4.286 1.129 1.00 0.12 O ATOM 1057 CB SER A 68 -8.130 1.121 0.644 1.00 0.07 C ATOM 1058 OG SER A 68 -7.650 -0.019 1.335 1.00 0.04 O ATOM 0 H SER A 68 -5.810 0.322 0.362 1.00 0.05 H new ATOM 0 HA SER A 68 -7.223 2.561 -0.676 1.00 0.07 H new ATOM 0 HB2 SER A 68 -8.846 1.654 1.270 1.00 0.07 H new ATOM 0 HB3 SER A 68 -8.663 0.808 -0.254 1.00 0.07 H new ATOM 0 HG SER A 68 -7.443 -0.728 0.691 1.00 0.04 H new ATOM 1064 N GLU A 69 -6.160 2.792 2.436 1.00 0.08 N ATOM 1065 CA GLU A 69 -5.959 3.740 3.528 1.00 0.14 C ATOM 1066 C GLU A 69 -4.999 4.866 3.138 1.00 0.10 C ATOM 1067 O GLU A 69 -4.944 5.896 3.809 1.00 0.10 O ATOM 1068 CB GLU A 69 -5.452 3.023 4.783 1.00 0.19 C ATOM 1069 CG GLU A 69 -4.015 2.545 4.681 1.00 0.29 C ATOM 1070 CD GLU A 69 -3.522 1.905 5.962 1.00 0.63 C ATOM 1071 OE1 GLU A 69 -3.524 2.589 7.005 1.00 0.79 O1- ATOM 1072 OE2 GLU A 69 -3.140 0.718 5.940 1.00 0.82 O ATOM 0 H GLU A 69 -5.770 1.864 2.603 1.00 0.08 H new ATOM 0 HA GLU A 69 -6.928 4.190 3.745 1.00 0.14 H new ATOM 0 HB2 GLU A 69 -5.541 3.697 5.635 1.00 0.19 H new ATOM 0 HB3 GLU A 69 -6.096 2.167 4.985 1.00 0.19 H new ATOM 0 HG2 GLU A 69 -3.932 1.827 3.865 1.00 0.29 H new ATOM 0 HG3 GLU A 69 -3.372 3.389 4.430 1.00 0.29 H new ATOM 1079 N TYR A 70 -4.233 4.669 2.074 1.00 0.07 N ATOM 1080 CA TYR A 70 -3.304 5.697 1.624 1.00 0.04 C ATOM 1081 C TYR A 70 -3.863 6.465 0.428 1.00 0.03 C ATOM 1082 O TYR A 70 -3.490 7.617 0.193 1.00 0.04 O ATOM 1083 CB TYR A 70 -1.937 5.094 1.301 1.00 0.05 C ATOM 1084 CG TYR A 70 -1.034 5.030 2.509 1.00 0.18 C ATOM 1085 CD1 TYR A 70 -0.281 6.132 2.888 1.00 0.37 C ATOM 1086 CD2 TYR A 70 -0.956 3.883 3.288 1.00 0.36 C ATOM 1087 CE1 TYR A 70 0.529 6.090 4.003 1.00 0.46 C ATOM 1088 CE2 TYR A 70 -0.152 3.838 4.411 1.00 0.47 C ATOM 1089 CZ TYR A 70 0.589 4.945 4.763 1.00 0.44 C ATOM 1090 OH TYR A 70 1.379 4.912 5.889 1.00 0.58 O ATOM 0 H TYR A 70 -4.235 3.818 1.512 1.00 0.07 H new ATOM 0 HA TYR A 70 -3.174 6.408 2.440 1.00 0.04 H new ATOM 0 HB2 TYR A 70 -2.072 4.090 0.899 1.00 0.05 H new ATOM 0 HB3 TYR A 70 -1.456 5.687 0.523 1.00 0.05 H new ATOM 0 HD1 TYR A 70 -0.330 7.037 2.300 1.00 0.37 H new ATOM 0 HD2 TYR A 70 -1.533 3.013 3.012 1.00 0.36 H new ATOM 0 HE1 TYR A 70 1.115 6.954 4.279 1.00 0.46 H new ATOM 0 HE2 TYR A 70 -0.105 2.940 5.009 1.00 0.47 H new ATOM 0 HH TYR A 70 1.308 4.031 6.312 1.00 0.58 H new ATOM 1100 N LEU A 71 -4.770 5.838 -0.319 1.00 0.07 N ATOM 1101 CA LEU A 71 -5.392 6.483 -1.476 1.00 0.11 C ATOM 1102 C LEU A 71 -6.192 7.700 -1.025 1.00 0.12 C ATOM 1103 O LEU A 71 -6.161 8.750 -1.662 1.00 0.16 O ATOM 1104 CB LEU A 71 -6.308 5.508 -2.227 1.00 0.13 C ATOM 1105 CG LEU A 71 -5.641 4.765 -3.399 1.00 0.14 C ATOM 1106 CD1 LEU A 71 -6.413 3.503 -3.767 1.00 0.12 C ATOM 1107 CD2 LEU A 71 -5.512 5.673 -4.617 1.00 0.23 C ATOM 0 H LEU A 71 -5.091 4.886 -0.145 1.00 0.07 H new ATOM 0 HA LEU A 71 -4.600 6.799 -2.155 1.00 0.11 H new ATOM 0 HB2 LEU A 71 -6.689 4.772 -1.519 1.00 0.13 H new ATOM 0 HB3 LEU A 71 -7.168 6.060 -2.608 1.00 0.13 H new ATOM 0 HG LEU A 71 -4.643 4.473 -3.073 1.00 0.14 H new ATOM 0 HD11 LEU A 71 -5.916 3.002 -4.598 1.00 0.12 H new ATOM 0 HD12 LEU A 71 -6.447 2.834 -2.907 1.00 0.12 H new ATOM 0 HD13 LEU A 71 -7.429 3.770 -4.059 1.00 0.12 H new ATOM 0 HD21 LEU A 71 -5.038 5.125 -5.431 1.00 0.23 H new ATOM 0 HD22 LEU A 71 -6.502 6.004 -4.931 1.00 0.23 H new ATOM 0 HD23 LEU A 71 -4.904 6.541 -4.361 1.00 0.23 H new ATOM 1119 N LYS A 72 -6.895 7.542 0.092 1.00 0.13 N ATOM 1120 CA LYS A 72 -7.702 8.614 0.667 1.00 0.16 C ATOM 1121 C LYS A 72 -6.836 9.799 1.091 1.00 0.16 C ATOM 1122 O LYS A 72 -7.308 10.934 1.147 1.00 0.30 O ATOM 1123 CB LYS A 72 -8.486 8.090 1.877 1.00 0.18 C ATOM 1124 CG LYS A 72 -7.621 7.342 2.883 1.00 0.18 C ATOM 1125 CD LYS A 72 -8.210 7.359 4.286 1.00 0.22 C ATOM 1126 CE LYS A 72 -9.328 6.341 4.446 1.00 0.25 C ATOM 1127 NZ LYS A 72 -10.662 6.991 4.529 1.00 0.24 N1+ ATOM 0 H LYS A 72 -6.922 6.671 0.623 1.00 0.13 H new ATOM 0 HA LYS A 72 -8.396 8.957 -0.100 1.00 0.16 H new ATOM 0 HB2 LYS A 72 -8.969 8.929 2.378 1.00 0.18 H new ATOM 0 HB3 LYS A 72 -9.278 7.428 1.528 1.00 0.18 H new ATOM 0 HG2 LYS A 72 -7.500 6.309 2.556 1.00 0.18 H new ATOM 0 HG3 LYS A 72 -6.627 7.788 2.905 1.00 0.18 H new ATOM 0 HD2 LYS A 72 -7.424 7.151 5.012 1.00 0.22 H new ATOM 0 HD3 LYS A 72 -8.593 8.356 4.507 1.00 0.22 H new ATOM 0 HE2 LYS A 72 -9.313 5.650 3.603 1.00 0.25 H new ATOM 0 HE3 LYS A 72 -9.155 5.751 5.346 1.00 0.25 H new ATOM 0 HZ1 LYS A 72 -11.387 6.271 4.722 1.00 0.24 H new ATOM 0 HZ2 LYS A 72 -10.659 7.694 5.296 1.00 0.24 H new ATOM 0 HZ3 LYS A 72 -10.875 7.463 3.627 1.00 0.24 H new ATOM 1141 N LEU A 73 -5.570 9.534 1.384 1.00 0.03 N ATOM 1142 CA LEU A 73 -4.657 10.584 1.814 1.00 0.05 C ATOM 1143 C LEU A 73 -4.191 11.411 0.622 1.00 0.05 C ATOM 1144 O LEU A 73 -4.254 12.640 0.651 1.00 0.10 O ATOM 1145 CB LEU A 73 -3.456 9.977 2.557 1.00 0.14 C ATOM 1146 CG LEU A 73 -2.764 10.877 3.601 1.00 0.17 C ATOM 1147 CD1 LEU A 73 -1.948 11.976 2.937 1.00 0.18 C ATOM 1148 CD2 LEU A 73 -3.773 11.478 4.574 1.00 0.24 C ATOM 0 H LEU A 73 -5.153 8.605 1.332 1.00 0.03 H new ATOM 0 HA LEU A 73 -5.188 11.245 2.499 1.00 0.05 H new ATOM 0 HB2 LEU A 73 -3.789 9.068 3.058 1.00 0.14 H new ATOM 0 HB3 LEU A 73 -2.713 9.679 1.817 1.00 0.14 H new ATOM 0 HG LEU A 73 -2.081 10.243 4.167 1.00 0.17 H new ATOM 0 HD11 LEU A 73 -1.475 12.591 3.703 1.00 0.18 H new ATOM 0 HD12 LEU A 73 -1.181 11.528 2.305 1.00 0.18 H new ATOM 0 HD13 LEU A 73 -2.603 12.597 2.327 1.00 0.18 H new ATOM 0 HD21 LEU A 73 -3.252 12.107 5.296 1.00 0.24 H new ATOM 0 HD22 LEU A 73 -4.495 12.080 4.023 1.00 0.24 H new ATOM 0 HD23 LEU A 73 -4.294 10.677 5.099 1.00 0.24 H new ATOM 1160 N LYS A 74 -3.741 10.738 -0.432 1.00 0.10 N ATOM 1161 CA LYS A 74 -3.271 11.440 -1.619 1.00 0.18 C ATOM 1162 C LYS A 74 -4.433 12.149 -2.311 1.00 0.21 C ATOM 1163 O LYS A 74 -4.243 13.170 -2.976 1.00 0.29 O ATOM 1164 CB LYS A 74 -2.538 10.491 -2.585 1.00 0.23 C ATOM 1165 CG LYS A 74 -3.396 9.372 -3.173 1.00 0.11 C ATOM 1166 CD LYS A 74 -2.533 8.241 -3.726 1.00 0.18 C ATOM 1167 CE LYS A 74 -1.830 8.633 -5.021 1.00 0.26 C ATOM 1168 NZ LYS A 74 -2.785 8.829 -6.144 1.00 0.15 N1+ ATOM 0 H LYS A 74 -3.692 9.721 -0.488 1.00 0.10 H new ATOM 0 HA LYS A 74 -2.549 12.193 -1.303 1.00 0.18 H new ATOM 0 HB2 LYS A 74 -2.126 11.080 -3.404 1.00 0.23 H new ATOM 0 HB3 LYS A 74 -1.695 10.043 -2.059 1.00 0.23 H new ATOM 0 HG2 LYS A 74 -4.063 8.981 -2.405 1.00 0.11 H new ATOM 0 HG3 LYS A 74 -4.026 9.773 -3.967 1.00 0.11 H new ATOM 0 HD2 LYS A 74 -1.789 7.957 -2.982 1.00 0.18 H new ATOM 0 HD3 LYS A 74 -3.156 7.365 -3.904 1.00 0.18 H new ATOM 0 HE2 LYS A 74 -1.266 9.552 -4.862 1.00 0.26 H new ATOM 0 HE3 LYS A 74 -1.110 7.860 -5.290 1.00 0.26 H new ATOM 0 HZ1 LYS A 74 -2.263 8.859 -7.043 1.00 0.15 H new ATOM 0 HZ2 LYS A 74 -3.464 8.041 -6.164 1.00 0.15 H new ATOM 0 HZ3 LYS A 74 -3.297 9.724 -6.012 1.00 0.15 H new ATOM 1182 N GLU A 75 -5.640 11.619 -2.119 1.00 0.18 N ATOM 1183 CA GLU A 75 -6.839 12.202 -2.704 1.00 0.27 C ATOM 1184 C GLU A 75 -7.116 13.570 -2.082 1.00 0.23 C ATOM 1185 O GLU A 75 -7.474 14.517 -2.785 1.00 0.32 O ATOM 1186 CB GLU A 75 -8.040 11.270 -2.498 1.00 0.36 C ATOM 1187 CG GLU A 75 -9.299 11.709 -3.233 1.00 0.51 C ATOM 1188 CD GLU A 75 -9.137 11.694 -4.741 1.00 0.97 C ATOM 1189 OE1 GLU A 75 -8.712 10.653 -5.292 1.00 1.57 O1- ATOM 1190 OE2 GLU A 75 -9.436 12.719 -5.384 1.00 1.47 O ATOM 0 H GLU A 75 -5.810 10.783 -1.560 1.00 0.18 H new ATOM 0 HA GLU A 75 -6.679 12.330 -3.775 1.00 0.27 H new ATOM 0 HB2 GLU A 75 -7.770 10.267 -2.829 1.00 0.36 H new ATOM 0 HB3 GLU A 75 -8.258 11.206 -1.432 1.00 0.36 H new ATOM 0 HG2 GLU A 75 -10.124 11.053 -2.955 1.00 0.51 H new ATOM 0 HG3 GLU A 75 -9.569 12.715 -2.912 1.00 0.51 H new ATOM 1197 N GLU A 76 -6.925 13.675 -0.765 1.00 0.13 N ATOM 1198 CA GLU A 76 -7.151 14.933 -0.060 1.00 0.10 C ATOM 1199 C GLU A 76 -6.254 16.023 -0.624 1.00 0.05 C ATOM 1200 O GLU A 76 -6.695 17.149 -0.841 1.00 0.03 O ATOM 1201 CB GLU A 76 -6.898 14.792 1.447 1.00 0.10 C ATOM 1202 CG GLU A 76 -7.149 16.086 2.212 1.00 0.19 C ATOM 1203 CD GLU A 76 -6.569 16.089 3.611 1.00 0.51 C ATOM 1204 OE1 GLU A 76 -5.365 16.390 3.764 1.00 0.59 O1- ATOM 1205 OE2 GLU A 76 -7.321 15.825 4.576 1.00 1.56 O ATOM 0 H GLU A 76 -6.616 12.906 -0.170 1.00 0.13 H new ATOM 0 HA GLU A 76 -8.196 15.205 -0.207 1.00 0.10 H new ATOM 0 HB2 GLU A 76 -7.541 14.008 1.847 1.00 0.10 H new ATOM 0 HB3 GLU A 76 -5.868 14.473 1.610 1.00 0.10 H new ATOM 0 HG2 GLU A 76 -6.724 16.918 1.650 1.00 0.19 H new ATOM 0 HG3 GLU A 76 -8.223 16.259 2.273 1.00 0.19 H new ATOM 1212 N TYR A 77 -5.001 15.668 -0.888 1.00 0.06 N ATOM 1213 CA TYR A 77 -4.031 16.613 -1.427 1.00 0.05 C ATOM 1214 C TYR A 77 -4.515 17.198 -2.754 1.00 0.07 C ATOM 1215 O TYR A 77 -4.358 18.394 -3.013 1.00 0.11 O ATOM 1216 CB TYR A 77 -2.671 15.928 -1.609 1.00 0.09 C ATOM 1217 CG TYR A 77 -1.595 16.821 -2.197 1.00 0.12 C ATOM 1218 CD1 TYR A 77 -1.445 18.139 -1.780 1.00 0.12 C ATOM 1219 CD2 TYR A 77 -0.726 16.338 -3.166 1.00 0.14 C ATOM 1220 CE1 TYR A 77 -0.465 18.949 -2.313 1.00 0.16 C ATOM 1221 CE2 TYR A 77 0.257 17.145 -3.708 1.00 0.17 C ATOM 1222 CZ TYR A 77 0.384 18.450 -3.280 1.00 0.18 C ATOM 1223 OH TYR A 77 1.354 19.260 -3.822 1.00 0.21 O ATOM 0 H TYR A 77 -4.633 14.729 -0.737 1.00 0.06 H new ATOM 0 HA TYR A 77 -3.921 17.433 -0.717 1.00 0.05 H new ATOM 0 HB2 TYR A 77 -2.331 15.559 -0.641 1.00 0.09 H new ATOM 0 HB3 TYR A 77 -2.799 15.059 -2.255 1.00 0.09 H new ATOM 0 HD1 TYR A 77 -2.108 18.535 -1.025 1.00 0.12 H new ATOM 0 HD2 TYR A 77 -0.819 15.316 -3.502 1.00 0.14 H new ATOM 0 HE1 TYR A 77 -0.362 19.970 -1.975 1.00 0.16 H new ATOM 0 HE2 TYR A 77 0.923 16.755 -4.464 1.00 0.17 H new ATOM 0 HH TYR A 77 1.867 18.756 -4.487 1.00 0.21 H new ATOM 1233 N GLN A 78 -5.131 16.358 -3.573 1.00 0.10 N ATOM 1234 CA GLN A 78 -5.633 16.786 -4.874 1.00 0.13 C ATOM 1235 C GLN A 78 -6.844 17.701 -4.723 1.00 0.06 C ATOM 1236 O GLN A 78 -6.992 18.675 -5.458 1.00 0.08 O ATOM 1237 CB GLN A 78 -6.017 15.574 -5.727 1.00 0.19 C ATOM 1238 CG GLN A 78 -4.866 14.626 -6.021 1.00 0.23 C ATOM 1239 CD GLN A 78 -3.674 15.315 -6.657 1.00 0.31 C ATOM 1240 OE1 GLN A 78 -3.662 15.581 -7.857 1.00 0.51 O ATOM 1241 NE2 GLN A 78 -2.657 15.593 -5.859 1.00 0.26 N ATOM 0 H GLN A 78 -5.296 15.374 -3.361 1.00 0.10 H new ATOM 0 HA GLN A 78 -4.834 17.339 -5.368 1.00 0.13 H new ATOM 0 HB2 GLN A 78 -6.806 15.021 -5.218 1.00 0.19 H new ATOM 0 HB3 GLN A 78 -6.433 15.926 -6.671 1.00 0.19 H new ATOM 0 HG2 GLN A 78 -4.550 14.149 -5.093 1.00 0.23 H new ATOM 0 HG3 GLN A 78 -5.216 13.834 -6.683 1.00 0.23 H new ATOM 0 HE21 GLN A 78 -2.707 15.356 -4.868 1.00 0.26 H new ATOM 0 HE22 GLN A 78 -1.823 16.045 -6.234 1.00 0.26 H new ATOM 1250 N ARG A 79 -7.685 17.400 -3.743 1.00 0.04 N ATOM 1251 CA ARG A 79 -8.898 18.181 -3.516 1.00 0.11 C ATOM 1252 C ARG A 79 -8.570 19.502 -2.832 1.00 0.17 C ATOM 1253 O ARG A 79 -9.160 20.540 -3.127 1.00 0.29 O ATOM 1254 CB ARG A 79 -9.902 17.396 -2.658 1.00 0.18 C ATOM 1255 CG ARG A 79 -10.198 15.982 -3.155 1.00 0.46 C ATOM 1256 CD ARG A 79 -10.877 15.976 -4.516 1.00 0.78 C ATOM 1257 NE ARG A 79 -12.067 16.824 -4.546 1.00 1.20 N ATOM 1258 CZ ARG A 79 -13.261 16.465 -4.072 1.00 0.98 C ATOM 1259 NH1 ARG A 79 -13.431 15.259 -3.540 1.00 0.63 N1+ ATOM 1260 NH2 ARG A 79 -14.282 17.309 -4.133 1.00 1.78 N ATOM 0 H ARG A 79 -7.553 16.624 -3.094 1.00 0.04 H new ATOM 0 HA ARG A 79 -9.346 18.385 -4.489 1.00 0.11 H new ATOM 0 HB2 ARG A 79 -9.519 17.336 -1.639 1.00 0.18 H new ATOM 0 HB3 ARG A 79 -10.837 17.954 -2.615 1.00 0.18 H new ATOM 0 HG2 ARG A 79 -9.267 15.418 -3.214 1.00 0.46 H new ATOM 0 HG3 ARG A 79 -10.834 15.472 -2.432 1.00 0.46 H new ATOM 0 HD2 ARG A 79 -10.171 16.317 -5.273 1.00 0.78 H new ATOM 0 HD3 ARG A 79 -11.155 14.955 -4.777 1.00 0.78 H new ATOM 0 HE ARG A 79 -11.978 17.753 -4.957 1.00 1.20 H new ATOM 0 HH11 ARG A 79 -12.648 14.607 -3.494 1.00 0.63 H new ATOM 0 HH12 ARG A 79 -14.344 14.986 -3.178 1.00 0.63 H new ATOM 0 HH21 ARG A 79 -14.155 18.234 -4.543 1.00 1.78 H new ATOM 0 HH22 ARG A 79 -15.194 17.033 -3.770 1.00 1.78 H new ATOM 1274 N LEU A 80 -7.615 19.449 -1.921 1.00 0.11 N ATOM 1275 CA LEU A 80 -7.195 20.617 -1.168 1.00 0.17 C ATOM 1276 C LEU A 80 -6.546 21.663 -2.071 1.00 0.18 C ATOM 1277 O LEU A 80 -6.862 22.848 -1.991 1.00 0.22 O ATOM 1278 CB LEU A 80 -6.213 20.191 -0.082 1.00 0.19 C ATOM 1279 CG LEU A 80 -5.677 21.321 0.800 1.00 0.22 C ATOM 1280 CD1 LEU A 80 -6.715 21.721 1.837 1.00 0.25 C ATOM 1281 CD2 LEU A 80 -4.373 20.905 1.467 1.00 0.23 C ATOM 0 H LEU A 80 -7.109 18.596 -1.682 1.00 0.11 H new ATOM 0 HA LEU A 80 -8.079 21.069 -0.717 1.00 0.17 H new ATOM 0 HB2 LEU A 80 -6.701 19.455 0.557 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -5.368 19.691 -0.556 1.00 0.19 H new ATOM 0 HG LEU A 80 -5.473 22.187 0.171 1.00 0.22 H new ATOM 0 HD11 LEU A 80 -6.319 22.526 2.457 1.00 0.25 H new ATOM 0 HD12 LEU A 80 -7.620 22.062 1.334 1.00 0.25 H new ATOM 0 HD13 LEU A 80 -6.951 20.862 2.465 1.00 0.25 H new ATOM 0 HD21 LEU A 80 -4.007 21.721 2.090 1.00 0.23 H new ATOM 0 HD22 LEU A 80 -4.546 20.025 2.086 1.00 0.23 H new ATOM 0 HD23 LEU A 80 -3.632 20.671 0.703 1.00 0.23 H new ATOM 1293 N ARG A 81 -5.647 21.218 -2.937 1.00 0.17 N ATOM 1294 CA ARG A 81 -4.949 22.131 -3.830 1.00 0.21 C ATOM 1295 C ARG A 81 -5.877 22.702 -4.896 1.00 0.22 C ATOM 1296 O ARG A 81 -5.718 23.849 -5.312 1.00 0.31 O ATOM 1297 CB ARG A 81 -3.747 21.444 -4.477 1.00 0.21 C ATOM 1298 CG ARG A 81 -2.566 21.299 -3.529 1.00 0.25 C ATOM 1299 CD ARG A 81 -1.329 22.030 -4.038 1.00 0.43 C ATOM 1300 NE ARG A 81 -1.624 23.386 -4.498 1.00 0.50 N ATOM 1301 CZ ARG A 81 -1.331 24.496 -3.815 1.00 0.50 C ATOM 1302 NH1 ARG A 81 -0.735 24.419 -2.630 1.00 0.71 N1+ ATOM 1303 NH2 ARG A 81 -1.623 25.680 -4.323 1.00 0.54 N ATOM 0 H ARG A 81 -5.385 20.238 -3.040 1.00 0.17 H new ATOM 0 HA ARG A 81 -4.591 22.964 -3.226 1.00 0.21 H new ATOM 0 HB2 ARG A 81 -4.046 20.457 -4.830 1.00 0.21 H new ATOM 0 HB3 ARG A 81 -3.436 22.015 -5.352 1.00 0.21 H new ATOM 0 HG2 ARG A 81 -2.839 21.689 -2.548 1.00 0.25 H new ATOM 0 HG3 ARG A 81 -2.334 20.242 -3.399 1.00 0.25 H new ATOM 0 HD2 ARG A 81 -0.585 22.074 -3.242 1.00 0.43 H new ATOM 0 HD3 ARG A 81 -0.887 21.461 -4.856 1.00 0.43 H new ATOM 0 HE ARG A 81 -2.085 23.492 -5.402 1.00 0.50 H new ATOM 0 HH11 ARG A 81 -0.498 23.508 -2.236 1.00 0.71 H new ATOM 0 HH12 ARG A 81 -0.514 25.271 -2.114 1.00 0.71 H new ATOM 0 HH21 ARG A 81 -2.072 25.746 -5.236 1.00 0.54 H new ATOM 0 HH22 ARG A 81 -1.399 26.528 -3.802 1.00 0.54 H new ATOM 1551 N THR B 10 -17.868 1.868 5.553 1.00 0.33 N ATOM 1552 CA THR B 10 -18.459 0.724 4.886 1.00 0.31 C ATOM 1553 C THR B 10 -17.372 -0.215 4.361 1.00 0.23 C ATOM 1554 O THR B 10 -16.219 0.188 4.171 1.00 0.23 O ATOM 1555 CB THR B 10 -19.392 1.166 3.729 1.00 0.36 C ATOM 1556 OG1 THR B 10 -20.203 0.067 3.297 1.00 0.42 O ATOM 1557 CG2 THR B 10 -18.602 1.704 2.544 1.00 0.28 C ATOM 0 HA THR B 10 -19.061 0.188 5.620 1.00 0.31 H new ATOM 0 HB THR B 10 -20.027 1.966 4.111 1.00 0.36 H new ATOM 0 HG1 THR B 10 -20.789 0.359 2.568 1.00 0.42 H new ATOM 0 HG21 THR B 10 -19.290 2.003 1.754 1.00 0.28 H new ATOM 0 HG22 THR B 10 -18.015 2.566 2.860 1.00 0.28 H new ATOM 0 HG23 THR B 10 -17.935 0.928 2.169 1.00 0.28 H new ATOM 1565 N ARG B 11 -17.741 -1.465 4.134 1.00 0.25 N ATOM 1566 CA ARG B 11 -16.804 -2.460 3.635 1.00 0.21 C ATOM 1567 C ARG B 11 -17.203 -2.879 2.228 1.00 0.27 C ATOM 1568 O ARG B 11 -18.378 -2.807 1.865 1.00 0.53 O ATOM 1569 CB ARG B 11 -16.746 -3.674 4.573 1.00 0.24 C ATOM 1570 CG ARG B 11 -18.049 -4.454 4.673 1.00 0.31 C ATOM 1571 CD ARG B 11 -18.001 -5.470 5.802 1.00 0.68 C ATOM 1572 NE ARG B 11 -19.234 -6.256 5.871 1.00 1.23 N ATOM 1573 CZ ARG B 11 -19.892 -6.528 6.996 1.00 1.21 C ATOM 1574 NH1 ARG B 11 -19.437 -6.083 8.160 1.00 1.36 N1+ ATOM 1575 NH2 ARG B 11 -21.004 -7.251 6.956 1.00 1.72 N ATOM 0 H ARG B 11 -18.686 -1.816 4.288 1.00 0.25 H new ATOM 0 HA ARG B 11 -15.807 -2.021 3.602 1.00 0.21 H new ATOM 0 HB2 ARG B 11 -15.960 -4.346 4.229 1.00 0.24 H new ATOM 0 HB3 ARG B 11 -16.462 -3.335 5.569 1.00 0.24 H new ATOM 0 HG2 ARG B 11 -18.876 -3.764 4.837 1.00 0.31 H new ATOM 0 HG3 ARG B 11 -18.243 -4.965 3.730 1.00 0.31 H new ATOM 0 HD2 ARG B 11 -17.151 -6.137 5.656 1.00 0.68 H new ATOM 0 HD3 ARG B 11 -17.843 -4.955 6.750 1.00 0.68 H new ATOM 0 HE ARG B 11 -19.615 -6.620 4.998 1.00 1.23 H new ATOM 0 HH11 ARG B 11 -18.580 -5.530 8.195 1.00 1.36 H new ATOM 0 HH12 ARG B 11 -19.944 -6.293 9.020 1.00 1.36 H new ATOM 0 HH21 ARG B 11 -21.355 -7.598 6.063 1.00 1.72 H new ATOM 0 HH22 ARG B 11 -21.508 -7.459 7.818 1.00 1.72 H new ATOM 1589 N VAL B 12 -16.235 -3.305 1.437 1.00 0.16 N ATOM 1590 CA VAL B 12 -16.504 -3.710 0.065 1.00 0.15 C ATOM 1591 C VAL B 12 -15.824 -5.036 -0.275 1.00 0.12 C ATOM 1592 O VAL B 12 -14.742 -5.341 0.230 1.00 0.17 O ATOM 1593 CB VAL B 12 -16.046 -2.618 -0.933 1.00 0.19 C ATOM 1594 CG1 VAL B 12 -14.547 -2.364 -0.815 1.00 0.13 C ATOM 1595 CG2 VAL B 12 -16.422 -2.990 -2.361 1.00 0.25 C ATOM 0 H VAL B 12 -15.257 -3.380 1.718 1.00 0.16 H new ATOM 0 HA VAL B 12 -17.582 -3.845 -0.023 1.00 0.15 H new ATOM 0 HB VAL B 12 -16.566 -1.694 -0.678 1.00 0.19 H new ATOM 0 HG11 VAL B 12 -14.251 -1.593 -1.527 1.00 0.13 H new ATOM 0 HG12 VAL B 12 -14.313 -2.033 0.197 1.00 0.13 H new ATOM 0 HG13 VAL B 12 -14.004 -3.284 -1.031 1.00 0.13 H new ATOM 0 HG21 VAL B 12 -16.089 -2.206 -3.041 1.00 0.25 H new ATOM 0 HG22 VAL B 12 -15.943 -3.931 -2.630 1.00 0.25 H new ATOM 0 HG23 VAL B 12 -17.504 -3.099 -2.436 1.00 0.25 H new ATOM 1605 N SER B 13 -16.492 -5.829 -1.108 1.00 0.09 N ATOM 1606 CA SER B 13 -15.963 -7.109 -1.554 1.00 0.12 C ATOM 1607 C SER B 13 -15.479 -6.988 -2.996 1.00 0.18 C ATOM 1608 O SER B 13 -16.209 -6.494 -3.859 1.00 0.48 O ATOM 1609 CB SER B 13 -17.037 -8.192 -1.448 1.00 0.12 C ATOM 1610 OG SER B 13 -17.671 -8.152 -0.179 1.00 0.38 O ATOM 0 H SER B 13 -17.410 -5.602 -1.490 1.00 0.09 H new ATOM 0 HA SER B 13 -15.124 -7.390 -0.917 1.00 0.12 H new ATOM 0 HB2 SER B 13 -17.779 -8.053 -2.234 1.00 0.12 H new ATOM 0 HB3 SER B 13 -16.587 -9.173 -1.604 1.00 0.12 H new ATOM 0 HG SER B 13 -18.355 -8.852 -0.133 1.00 0.38 H new ATOM 1616 N VAL B 14 -14.253 -7.422 -3.246 1.00 0.14 N ATOM 1617 CA VAL B 14 -13.670 -7.352 -4.581 1.00 0.13 C ATOM 1618 C VAL B 14 -12.887 -8.620 -4.901 1.00 0.09 C ATOM 1619 O VAL B 14 -12.529 -9.380 -4.002 1.00 0.19 O ATOM 1620 CB VAL B 14 -12.735 -6.132 -4.740 1.00 0.15 C ATOM 1621 CG1 VAL B 14 -13.489 -4.959 -5.348 1.00 0.27 C ATOM 1622 CG2 VAL B 14 -12.122 -5.735 -3.400 1.00 0.17 C ATOM 0 H VAL B 14 -13.639 -7.828 -2.540 1.00 0.14 H new ATOM 0 HA VAL B 14 -14.502 -7.247 -5.278 1.00 0.13 H new ATOM 0 HB VAL B 14 -11.925 -6.412 -5.414 1.00 0.15 H new ATOM 0 HG11 VAL B 14 -12.815 -4.108 -5.453 1.00 0.27 H new ATOM 0 HG12 VAL B 14 -13.872 -5.242 -6.329 1.00 0.27 H new ATOM 0 HG13 VAL B 14 -14.321 -4.685 -4.699 1.00 0.27 H new ATOM 0 HG21 VAL B 14 -11.468 -4.874 -3.540 1.00 0.17 H new ATOM 0 HG22 VAL B 14 -12.916 -5.478 -2.699 1.00 0.17 H new ATOM 0 HG23 VAL B 14 -11.543 -6.569 -3.003 1.00 0.17 H new ATOM 1632 N ARG B 15 -12.627 -8.840 -6.184 1.00 0.17 N ATOM 1633 CA ARG B 15 -11.895 -10.020 -6.632 1.00 0.12 C ATOM 1634 C ARG B 15 -10.428 -9.687 -6.885 1.00 0.08 C ATOM 1635 O ARG B 15 -10.082 -9.117 -7.919 1.00 0.12 O ATOM 1636 CB ARG B 15 -12.524 -10.576 -7.910 1.00 0.19 C ATOM 1637 CG ARG B 15 -11.918 -11.894 -8.367 1.00 0.32 C ATOM 1638 CD ARG B 15 -11.536 -11.857 -9.838 1.00 0.37 C ATOM 1639 NE ARG B 15 -10.256 -11.176 -10.066 1.00 0.23 N ATOM 1640 CZ ARG B 15 -9.446 -11.445 -11.096 1.00 0.17 C ATOM 1641 NH1 ARG B 15 -9.830 -12.299 -12.036 1.00 0.20 N1+ ATOM 1642 NH2 ARG B 15 -8.265 -10.848 -11.201 1.00 0.33 N ATOM 0 H ARG B 15 -12.914 -8.214 -6.936 1.00 0.17 H new ATOM 0 HA ARG B 15 -11.950 -10.772 -5.845 1.00 0.12 H new ATOM 0 HB2 ARG B 15 -13.593 -10.715 -7.748 1.00 0.19 H new ATOM 0 HB3 ARG B 15 -12.416 -9.841 -8.707 1.00 0.19 H new ATOM 0 HG2 ARG B 15 -11.035 -12.116 -7.767 1.00 0.32 H new ATOM 0 HG3 ARG B 15 -12.631 -12.701 -8.196 1.00 0.32 H new ATOM 0 HD2 ARG B 15 -11.476 -12.876 -10.221 1.00 0.37 H new ATOM 0 HD3 ARG B 15 -12.320 -11.350 -10.402 1.00 0.37 H new ATOM 0 HE ARG B 15 -9.968 -10.457 -9.402 1.00 0.23 H new ATOM 0 HH11 ARG B 15 -10.743 -12.750 -11.973 1.00 0.20 H new ATOM 0 HH12 ARG B 15 -9.213 -12.504 -12.822 1.00 0.20 H new ATOM 0 HH21 ARG B 15 -7.968 -10.177 -10.492 1.00 0.33 H new ATOM 0 HH22 ARG B 15 -7.655 -11.060 -11.990 1.00 0.33 H new ATOM 1656 N ILE B 16 -9.566 -10.061 -5.952 1.00 0.03 N ATOM 1657 CA ILE B 16 -8.143 -9.797 -6.081 1.00 0.08 C ATOM 1658 C ILE B 16 -7.381 -11.081 -6.392 1.00 0.13 C ATOM 1659 O ILE B 16 -7.434 -12.044 -5.626 1.00 0.15 O ATOM 1660 CB ILE B 16 -7.564 -9.157 -4.802 1.00 0.10 C ATOM 1661 CG1 ILE B 16 -8.488 -8.044 -4.303 1.00 0.11 C ATOM 1662 CG2 ILE B 16 -6.167 -8.613 -5.071 1.00 0.15 C ATOM 1663 CD1 ILE B 16 -8.217 -7.627 -2.874 1.00 0.15 C ATOM 0 H ILE B 16 -9.829 -10.549 -5.096 1.00 0.03 H new ATOM 0 HA ILE B 16 -8.022 -9.094 -6.905 1.00 0.08 H new ATOM 0 HB ILE B 16 -7.493 -9.921 -4.027 1.00 0.10 H new ATOM 0 HG12 ILE B 16 -8.381 -7.175 -4.953 1.00 0.11 H new ATOM 0 HG13 ILE B 16 -9.522 -8.378 -4.385 1.00 0.11 H new ATOM 0 HG21 ILE B 16 -5.770 -8.164 -4.161 1.00 0.15 H new ATOM 0 HG22 ILE B 16 -5.515 -9.426 -5.389 1.00 0.15 H new ATOM 0 HG23 ILE B 16 -6.215 -7.859 -5.856 1.00 0.15 H new ATOM 0 HD11 ILE B 16 -8.909 -6.835 -2.589 1.00 0.15 H new ATOM 0 HD12 ILE B 16 -8.353 -8.483 -2.213 1.00 0.15 H new ATOM 0 HD13 ILE B 16 -7.193 -7.262 -2.789 1.00 0.15 H new ATOM 1675 N TYR B 17 -6.717 -11.090 -7.544 1.00 0.18 N ATOM 1676 CA TYR B 17 -5.918 -12.231 -8.004 1.00 0.25 C ATOM 1677 C TYR B 17 -6.776 -13.480 -8.212 1.00 0.24 C ATOM 1678 O TYR B 17 -6.261 -14.597 -8.271 1.00 0.27 O ATOM 1679 CB TYR B 17 -4.768 -12.521 -7.032 1.00 0.29 C ATOM 1680 CG TYR B 17 -3.532 -13.084 -7.706 1.00 0.23 C ATOM 1681 CD1 TYR B 17 -2.910 -12.399 -8.743 1.00 0.27 C ATOM 1682 CD2 TYR B 17 -2.992 -14.300 -7.309 1.00 0.22 C ATOM 1683 CE1 TYR B 17 -1.784 -12.909 -9.365 1.00 0.31 C ATOM 1684 CE2 TYR B 17 -1.869 -14.816 -7.926 1.00 0.20 C ATOM 1685 CZ TYR B 17 -1.268 -14.118 -8.952 1.00 0.26 C ATOM 1686 OH TYR B 17 -0.149 -14.639 -9.567 1.00 0.34 O ATOM 0 H TYR B 17 -6.716 -10.302 -8.192 1.00 0.18 H new ATOM 0 HA TYR B 17 -5.494 -11.959 -8.971 1.00 0.25 H new ATOM 0 HB2 TYR B 17 -4.501 -11.601 -6.513 1.00 0.29 H new ATOM 0 HB3 TYR B 17 -5.112 -13.226 -6.275 1.00 0.29 H new ATOM 0 HD1 TYR B 17 -3.313 -11.452 -9.069 1.00 0.27 H new ATOM 0 HD2 TYR B 17 -3.457 -14.851 -6.505 1.00 0.22 H new ATOM 0 HE1 TYR B 17 -1.313 -12.363 -10.169 1.00 0.31 H new ATOM 0 HE2 TYR B 17 -1.463 -15.764 -7.606 1.00 0.20 H new ATOM 0 HH TYR B 17 0.400 -13.908 -9.921 1.00 0.34 H new ATOM 1696 N GLY B 18 -8.085 -13.289 -8.321 1.00 0.21 N ATOM 1697 CA GLY B 18 -8.979 -14.408 -8.547 1.00 0.22 C ATOM 1698 C GLY B 18 -9.851 -14.744 -7.354 1.00 0.22 C ATOM 1699 O GLY B 18 -10.897 -15.370 -7.511 1.00 0.24 O ATOM 0 H GLY B 18 -8.543 -12.380 -8.257 1.00 0.21 H new ATOM 0 HA2 GLY B 18 -9.618 -14.184 -9.401 1.00 0.22 H new ATOM 0 HA3 GLY B 18 -8.389 -15.285 -8.812 1.00 0.22 H new ATOM 1703 N GLN B 19 -9.445 -14.325 -6.165 1.00 0.20 N ATOM 1704 CA GLN B 19 -10.220 -14.615 -4.961 1.00 0.21 C ATOM 1705 C GLN B 19 -10.975 -13.383 -4.477 1.00 0.18 C ATOM 1706 O GLN B 19 -10.553 -12.255 -4.714 1.00 0.13 O ATOM 1707 CB GLN B 19 -9.309 -15.148 -3.856 1.00 0.22 C ATOM 1708 CG GLN B 19 -8.817 -16.563 -4.112 1.00 0.56 C ATOM 1709 CD GLN B 19 -9.891 -17.620 -3.898 1.00 0.86 C ATOM 1710 OE1 GLN B 19 -11.086 -17.360 -4.057 1.00 0.81 O ATOM 1711 NE2 GLN B 19 -9.470 -18.823 -3.550 1.00 1.36 N ATOM 0 H GLN B 19 -8.593 -13.788 -6.005 1.00 0.20 H new ATOM 0 HA GLN B 19 -10.954 -15.380 -5.213 1.00 0.21 H new ATOM 0 HB2 GLN B 19 -8.450 -14.485 -3.752 1.00 0.22 H new ATOM 0 HB3 GLN B 19 -9.847 -15.124 -2.908 1.00 0.22 H new ATOM 0 HG2 GLN B 19 -8.447 -16.632 -5.135 1.00 0.56 H new ATOM 0 HG3 GLN B 19 -7.974 -16.772 -3.453 1.00 0.56 H new ATOM 0 HE21 GLN B 19 -8.473 -18.999 -3.428 1.00 1.36 H new ATOM 0 HE22 GLN B 19 -10.142 -19.576 -3.403 1.00 1.36 H new ATOM 1720 N ASP B 20 -12.092 -13.610 -3.803 1.00 0.24 N ATOM 1721 CA ASP B 20 -12.918 -12.525 -3.284 1.00 0.24 C ATOM 1722 C ASP B 20 -12.494 -12.144 -1.870 1.00 0.23 C ATOM 1723 O ASP B 20 -12.289 -13.010 -1.014 1.00 0.23 O ATOM 1724 CB ASP B 20 -14.404 -12.919 -3.298 1.00 0.31 C ATOM 1725 CG ASP B 20 -14.670 -14.261 -2.639 1.00 0.41 C ATOM 1726 OD1 ASP B 20 -14.297 -15.302 -3.224 1.00 0.39 O1- ATOM 1727 OD2 ASP B 20 -15.262 -14.290 -1.536 1.00 1.64 O ATOM 0 H ASP B 20 -12.451 -14.543 -3.600 1.00 0.24 H new ATOM 0 HA ASP B 20 -12.777 -11.660 -3.933 1.00 0.24 H new ATOM 0 HB2 ASP B 20 -14.983 -12.149 -2.788 1.00 0.31 H new ATOM 0 HB3 ASP B 20 -14.756 -12.951 -4.329 1.00 0.31 H new ATOM 1732 N TYR B 21 -12.342 -10.849 -1.634 1.00 0.23 N ATOM 1733 CA TYR B 21 -11.948 -10.346 -0.329 1.00 0.22 C ATOM 1734 C TYR B 21 -12.802 -9.144 0.052 1.00 0.24 C ATOM 1735 O TYR B 21 -13.129 -8.316 -0.799 1.00 0.36 O ATOM 1736 CB TYR B 21 -10.470 -9.936 -0.320 1.00 0.19 C ATOM 1737 CG TYR B 21 -9.509 -11.054 -0.660 1.00 0.17 C ATOM 1738 CD1 TYR B 21 -9.149 -12.001 0.290 1.00 0.17 C ATOM 1739 CD2 TYR B 21 -8.958 -11.160 -1.931 1.00 0.16 C ATOM 1740 CE1 TYR B 21 -8.271 -13.021 -0.019 1.00 0.16 C ATOM 1741 CE2 TYR B 21 -8.080 -12.177 -2.246 1.00 0.15 C ATOM 1742 CZ TYR B 21 -7.741 -13.103 -1.288 1.00 0.15 C ATOM 1743 OH TYR B 21 -6.860 -14.113 -1.600 1.00 0.14 O ATOM 0 H TYR B 21 -12.487 -10.124 -2.336 1.00 0.23 H new ATOM 0 HA TYR B 21 -12.096 -11.147 0.395 1.00 0.22 H new ATOM 0 HB2 TYR B 21 -10.327 -9.122 -1.031 1.00 0.19 H new ATOM 0 HB3 TYR B 21 -10.220 -9.546 0.667 1.00 0.19 H new ATOM 0 HD1 TYR B 21 -9.562 -11.939 1.286 1.00 0.17 H new ATOM 0 HD2 TYR B 21 -9.221 -10.434 -2.686 1.00 0.16 H new ATOM 0 HE1 TYR B 21 -8.001 -13.751 0.730 1.00 0.16 H new ATOM 0 HE2 TYR B 21 -7.662 -12.245 -3.239 1.00 0.15 H new ATOM 0 HH TYR B 21 -6.582 -14.027 -2.536 1.00 0.14 H new ATOM 1753 N THR B 22 -13.163 -9.057 1.324 1.00 0.18 N ATOM 1754 CA THR B 22 -13.959 -7.948 1.821 1.00 0.18 C ATOM 1755 C THR B 22 -13.123 -7.099 2.769 1.00 0.16 C ATOM 1756 O THR B 22 -12.715 -7.562 3.835 1.00 0.21 O ATOM 1757 CB THR B 22 -15.226 -8.443 2.544 1.00 0.20 C ATOM 1758 OG1 THR B 22 -15.997 -9.269 1.660 1.00 0.54 O ATOM 1759 CG2 THR B 22 -16.082 -7.277 3.013 1.00 0.26 C ATOM 0 H THR B 22 -12.915 -9.747 2.033 1.00 0.18 H new ATOM 0 HA THR B 22 -14.272 -7.347 0.967 1.00 0.18 H new ATOM 0 HB THR B 22 -14.914 -9.018 3.416 1.00 0.20 H new ATOM 0 HG1 THR B 22 -16.527 -8.702 1.062 1.00 0.54 H new ATOM 0 HG21 THR B 22 -16.969 -7.657 3.520 1.00 0.26 H new ATOM 0 HG22 THR B 22 -15.508 -6.658 3.702 1.00 0.26 H new ATOM 0 HG23 THR B 22 -16.384 -6.678 2.154 1.00 0.26 H new ATOM 1767 N ILE B 23 -12.880 -5.860 2.378 1.00 0.11 N ATOM 1768 CA ILE B 23 -12.069 -4.952 3.175 1.00 0.11 C ATOM 1769 C ILE B 23 -12.782 -3.620 3.357 1.00 0.14 C ATOM 1770 O ILE B 23 -13.846 -3.396 2.779 1.00 0.32 O ATOM 1771 CB ILE B 23 -10.675 -4.693 2.548 1.00 0.07 C ATOM 1772 CG1 ILE B 23 -10.792 -4.089 1.128 1.00 0.07 C ATOM 1773 CG2 ILE B 23 -9.835 -5.968 2.552 1.00 0.03 C ATOM 1774 CD1 ILE B 23 -11.046 -5.084 0.004 1.00 0.08 C ATOM 0 H ILE B 23 -13.234 -5.457 1.510 1.00 0.11 H new ATOM 0 HA ILE B 23 -11.922 -5.437 4.140 1.00 0.11 H new ATOM 0 HB ILE B 23 -10.162 -3.954 3.164 1.00 0.07 H new ATOM 0 HG12 ILE B 23 -11.600 -3.358 1.130 1.00 0.07 H new ATOM 0 HG13 ILE B 23 -9.872 -3.547 0.907 1.00 0.07 H new ATOM 0 HG21 ILE B 23 -8.861 -5.763 2.108 1.00 0.03 H new ATOM 0 HG22 ILE B 23 -9.701 -6.312 3.578 1.00 0.03 H new ATOM 0 HG23 ILE B 23 -10.343 -6.740 1.974 1.00 0.03 H new ATOM 0 HD11 ILE B 23 -11.110 -4.552 -0.945 1.00 0.08 H new ATOM 0 HD12 ILE B 23 -10.228 -5.803 -0.037 1.00 0.08 H new ATOM 0 HD13 ILE B 23 -11.982 -5.611 0.189 1.00 0.08 H new ATOM 1786 N VAL B 24 -12.192 -2.747 4.157 1.00 0.16 N ATOM 1787 CA VAL B 24 -12.770 -1.438 4.422 1.00 0.17 C ATOM 1788 C VAL B 24 -12.538 -0.488 3.244 1.00 0.22 C ATOM 1789 O VAL B 24 -11.410 -0.321 2.781 1.00 0.28 O ATOM 1790 CB VAL B 24 -12.183 -0.820 5.710 1.00 0.19 C ATOM 1791 CG1 VAL B 24 -12.718 0.587 5.943 1.00 0.20 C ATOM 1792 CG2 VAL B 24 -12.481 -1.710 6.910 1.00 0.18 C ATOM 0 H VAL B 24 -11.309 -2.922 4.637 1.00 0.16 H new ATOM 0 HA VAL B 24 -13.842 -1.578 4.558 1.00 0.17 H new ATOM 0 HB VAL B 24 -11.102 -0.749 5.586 1.00 0.19 H new ATOM 0 HG11 VAL B 24 -12.286 0.994 6.857 1.00 0.20 H new ATOM 0 HG12 VAL B 24 -12.449 1.223 5.100 1.00 0.20 H new ATOM 0 HG13 VAL B 24 -13.803 0.552 6.039 1.00 0.20 H new ATOM 0 HG21 VAL B 24 -12.061 -1.261 7.810 1.00 0.18 H new ATOM 0 HG22 VAL B 24 -13.560 -1.815 7.027 1.00 0.18 H new ATOM 0 HG23 VAL B 24 -12.036 -2.693 6.754 1.00 0.18 H new ATOM 1802 N GLY B 25 -13.614 0.125 2.766 1.00 0.21 N ATOM 1803 CA GLY B 25 -13.515 1.051 1.655 1.00 0.27 C ATOM 1804 C GLY B 25 -14.648 2.052 1.678 1.00 0.07 C ATOM 1805 O GLY B 25 -15.658 1.874 0.998 1.00 0.28 O ATOM 0 H GLY B 25 -14.558 -0.004 3.131 1.00 0.21 H new ATOM 0 HA2 GLY B 25 -12.561 1.576 1.699 1.00 0.27 H new ATOM 0 HA3 GLY B 25 -13.532 0.499 0.715 1.00 0.27 H new ATOM 1809 N ALA B 26 -14.477 3.112 2.453 1.00 0.15 N ATOM 1810 CA ALA B 26 -15.508 4.129 2.591 1.00 0.36 C ATOM 1811 C ALA B 26 -15.189 5.370 1.774 1.00 0.34 C ATOM 1812 O ALA B 26 -15.749 6.440 2.014 1.00 0.57 O ATOM 1813 CB ALA B 26 -15.685 4.496 4.054 1.00 0.61 C ATOM 0 H ALA B 26 -13.633 3.290 2.997 1.00 0.15 H new ATOM 0 HA ALA B 26 -16.439 3.712 2.207 1.00 0.36 H new ATOM 0 HB1 ALA B 26 -16.459 5.258 4.147 1.00 0.61 H new ATOM 0 HB2 ALA B 26 -15.978 3.611 4.618 1.00 0.61 H new ATOM 0 HB3 ALA B 26 -14.745 4.883 4.448 1.00 0.61 H new ATOM 1819 N GLU B 27 -14.290 5.231 0.812 1.00 0.08 N ATOM 1820 CA GLU B 27 -13.906 6.353 -0.041 1.00 0.06 C ATOM 1821 C GLU B 27 -15.016 6.671 -1.043 1.00 0.07 C ATOM 1822 O GLU B 27 -15.765 7.632 -0.863 1.00 0.08 O ATOM 1823 CB GLU B 27 -12.583 6.049 -0.759 1.00 0.06 C ATOM 1824 CG GLU B 27 -11.349 6.482 0.024 1.00 0.97 C ATOM 1825 CD GLU B 27 -11.530 6.371 1.525 1.00 1.82 C ATOM 1826 OE1 GLU B 27 -11.441 5.251 2.063 1.00 2.18 O ATOM 1827 OE2 GLU B 27 -11.764 7.414 2.176 1.00 2.44 O1- ATOM 0 H GLU B 27 -13.812 4.356 0.600 1.00 0.08 H new ATOM 0 HA GLU B 27 -13.758 7.233 0.585 1.00 0.06 H new ATOM 0 HB2 GLU B 27 -12.522 4.978 -0.953 1.00 0.06 H new ATOM 0 HB3 GLU B 27 -12.582 6.549 -1.728 1.00 0.06 H new ATOM 0 HG2 GLU B 27 -10.500 5.870 -0.280 1.00 0.97 H new ATOM 0 HG3 GLU B 27 -11.107 7.514 -0.232 1.00 0.97 H new ATOM 1834 N SER B 28 -15.130 5.859 -2.086 1.00 0.08 N ATOM 1835 CA SER B 28 -16.152 6.059 -3.101 1.00 0.11 C ATOM 1836 C SER B 28 -16.302 4.796 -3.945 1.00 0.14 C ATOM 1837 O SER B 28 -15.333 4.056 -4.131 1.00 0.14 O ATOM 1838 CB SER B 28 -15.801 7.259 -3.983 1.00 0.16 C ATOM 1839 OG SER B 28 -14.404 7.510 -3.982 1.00 0.98 O ATOM 0 H SER B 28 -14.525 5.054 -2.250 1.00 0.08 H new ATOM 0 HA SER B 28 -17.103 6.265 -2.609 1.00 0.11 H new ATOM 0 HB2 SER B 28 -16.138 7.074 -5.003 1.00 0.16 H new ATOM 0 HB3 SER B 28 -16.331 8.142 -3.627 1.00 0.16 H new ATOM 0 HG SER B 28 -14.210 8.281 -4.555 1.00 0.98 H new ATOM 1845 N PRO B 29 -17.513 4.543 -4.468 1.00 0.17 N ATOM 1846 CA PRO B 29 -17.820 3.354 -5.282 1.00 0.21 C ATOM 1847 C PRO B 29 -16.843 3.131 -6.434 1.00 0.18 C ATOM 1848 O PRO B 29 -16.392 2.012 -6.666 1.00 0.20 O ATOM 1849 CB PRO B 29 -19.227 3.635 -5.832 1.00 0.30 C ATOM 1850 CG PRO B 29 -19.498 5.073 -5.529 1.00 0.28 C ATOM 1851 CD PRO B 29 -18.693 5.398 -4.308 1.00 0.18 C ATOM 0 HA PRO B 29 -17.748 2.448 -4.681 1.00 0.21 H new ATOM 0 HB2 PRO B 29 -19.274 3.445 -6.904 1.00 0.30 H new ATOM 0 HB3 PRO B 29 -19.968 2.989 -5.361 1.00 0.30 H new ATOM 0 HG2 PRO B 29 -19.210 5.709 -6.366 1.00 0.28 H new ATOM 0 HG3 PRO B 29 -20.560 5.241 -5.352 1.00 0.28 H new ATOM 0 HD2 PRO B 29 -18.426 6.454 -4.267 1.00 0.18 H new ATOM 0 HD3 PRO B 29 -19.237 5.171 -3.391 1.00 0.18 H new ATOM 1859 N ALA B 30 -16.516 4.192 -7.156 1.00 0.18 N ATOM 1860 CA ALA B 30 -15.607 4.081 -8.286 1.00 0.16 C ATOM 1861 C ALA B 30 -14.155 3.956 -7.833 1.00 0.10 C ATOM 1862 O ALA B 30 -13.379 3.197 -8.417 1.00 0.05 O ATOM 1863 CB ALA B 30 -15.775 5.271 -9.214 1.00 0.20 C ATOM 0 H ALA B 30 -16.864 5.135 -6.981 1.00 0.18 H new ATOM 0 HA ALA B 30 -15.860 3.170 -8.828 1.00 0.16 H new ATOM 0 HB1 ALA B 30 -15.089 5.176 -10.056 1.00 0.20 H new ATOM 0 HB2 ALA B 30 -16.800 5.303 -9.583 1.00 0.20 H new ATOM 0 HB3 ALA B 30 -15.557 6.190 -8.670 1.00 0.20 H new ATOM 1869 N HIS B 31 -13.794 4.684 -6.782 1.00 0.15 N ATOM 1870 CA HIS B 31 -12.424 4.658 -6.265 1.00 0.13 C ATOM 1871 C HIS B 31 -12.056 3.280 -5.722 1.00 0.07 C ATOM 1872 O HIS B 31 -10.959 2.788 -5.965 1.00 0.05 O ATOM 1873 CB HIS B 31 -12.227 5.705 -5.165 1.00 0.20 C ATOM 1874 CG HIS B 31 -11.613 6.988 -5.640 1.00 0.38 C ATOM 1875 ND1 HIS B 31 -12.264 7.878 -6.463 1.00 0.76 N ATOM 1876 CD2 HIS B 31 -10.403 7.535 -5.383 1.00 1.42 C ATOM 1877 CE1 HIS B 31 -11.483 8.916 -6.692 1.00 0.48 C ATOM 1878 NE2 HIS B 31 -10.347 8.736 -6.046 1.00 1.22 N ATOM 0 H HIS B 31 -14.427 5.299 -6.270 1.00 0.15 H new ATOM 0 HA HIS B 31 -11.767 4.892 -7.103 1.00 0.13 H new ATOM 0 HB2 HIS B 31 -13.193 5.924 -4.710 1.00 0.20 H new ATOM 0 HB3 HIS B 31 -11.596 5.281 -4.384 1.00 0.20 H new ATOM 0 HD2 HIS B 31 -9.624 7.106 -4.769 1.00 1.42 H new ATOM 0 HE1 HIS B 31 -11.732 9.770 -7.305 1.00 0.48 H new ATOM 0 HE2 HIS B 31 -9.558 9.382 -6.040 1.00 1.22 H new ATOM 1887 N ILE B 32 -12.978 2.657 -4.997 1.00 0.08 N ATOM 1888 CA ILE B 32 -12.727 1.338 -4.408 1.00 0.08 C ATOM 1889 C ILE B 32 -12.574 0.247 -5.470 1.00 0.07 C ATOM 1890 O ILE B 32 -12.032 -0.822 -5.192 1.00 0.14 O ATOM 1891 CB ILE B 32 -13.827 0.928 -3.394 1.00 0.11 C ATOM 1892 CG1 ILE B 32 -15.187 0.763 -4.092 1.00 0.13 C ATOM 1893 CG2 ILE B 32 -13.902 1.951 -2.268 1.00 0.12 C ATOM 1894 CD1 ILE B 32 -16.335 0.452 -3.156 1.00 0.10 C ATOM 0 H ILE B 32 -13.904 3.038 -4.801 1.00 0.08 H new ATOM 0 HA ILE B 32 -11.782 1.432 -3.873 1.00 0.08 H new ATOM 0 HB ILE B 32 -13.565 -0.039 -2.964 1.00 0.11 H new ATOM 0 HG12 ILE B 32 -15.416 1.679 -4.637 1.00 0.13 H new ATOM 0 HG13 ILE B 32 -15.109 -0.036 -4.830 1.00 0.13 H new ATOM 0 HG21 ILE B 32 -14.677 1.657 -1.560 1.00 0.12 H new ATOM 0 HG22 ILE B 32 -12.941 1.999 -1.756 1.00 0.12 H new ATOM 0 HG23 ILE B 32 -14.142 2.930 -2.682 1.00 0.12 H new ATOM 0 HD11 ILE B 32 -17.256 0.352 -3.730 1.00 0.10 H new ATOM 0 HD12 ILE B 32 -16.133 -0.481 -2.629 1.00 0.10 H new ATOM 0 HD13 ILE B 32 -16.444 1.261 -2.433 1.00 0.10 H new ATOM 1906 N ARG B 33 -13.030 0.520 -6.688 1.00 0.07 N ATOM 1907 CA ARG B 33 -12.929 -0.459 -7.768 1.00 0.05 C ATOM 1908 C ARG B 33 -11.498 -0.559 -8.289 1.00 0.04 C ATOM 1909 O ARG B 33 -11.032 -1.642 -8.647 1.00 0.05 O ATOM 1910 CB ARG B 33 -13.867 -0.104 -8.928 1.00 0.07 C ATOM 1911 CG ARG B 33 -15.351 -0.142 -8.586 1.00 0.59 C ATOM 1912 CD ARG B 33 -15.766 -1.477 -7.986 1.00 0.36 C ATOM 1913 NE ARG B 33 -15.305 -2.618 -8.785 1.00 0.42 N ATOM 1914 CZ ARG B 33 -15.556 -3.894 -8.479 1.00 0.84 C ATOM 1915 NH1 ARG B 33 -16.304 -4.191 -7.423 1.00 1.03 N1+ ATOM 1916 NH2 ARG B 33 -15.068 -4.868 -9.231 1.00 1.46 N ATOM 0 H ARG B 33 -13.469 1.402 -6.952 1.00 0.07 H new ATOM 0 HA ARG B 33 -13.225 -1.423 -7.354 1.00 0.05 H new ATOM 0 HB2 ARG B 33 -13.617 0.895 -9.286 1.00 0.07 H new ATOM 0 HB3 ARG B 33 -13.681 -0.794 -9.751 1.00 0.07 H new ATOM 0 HG2 ARG B 33 -15.581 0.658 -7.883 1.00 0.59 H new ATOM 0 HG3 ARG B 33 -15.935 0.047 -9.487 1.00 0.59 H new ATOM 0 HD2 ARG B 33 -15.364 -1.559 -6.976 1.00 0.36 H new ATOM 0 HD3 ARG B 33 -16.852 -1.512 -7.901 1.00 0.36 H new ATOM 0 HE ARG B 33 -14.760 -2.425 -9.625 1.00 0.42 H new ATOM 0 HH11 ARG B 33 -16.688 -3.444 -6.844 1.00 1.03 H new ATOM 0 HH12 ARG B 33 -16.495 -5.166 -7.191 1.00 1.03 H new ATOM 0 HH21 ARG B 33 -14.498 -4.645 -10.047 1.00 1.46 H new ATOM 0 HH22 ARG B 33 -15.262 -5.841 -8.994 1.00 1.46 H new ATOM 1930 N LEU B 34 -10.797 0.567 -8.327 1.00 0.06 N ATOM 1931 CA LEU B 34 -9.429 0.583 -8.830 1.00 0.09 C ATOM 1932 C LEU B 34 -8.438 0.108 -7.771 1.00 0.08 C ATOM 1933 O LEU B 34 -7.296 -0.216 -8.094 1.00 0.12 O ATOM 1934 CB LEU B 34 -9.051 1.981 -9.339 1.00 0.12 C ATOM 1935 CG LEU B 34 -8.996 3.084 -8.281 1.00 0.10 C ATOM 1936 CD1 LEU B 34 -7.569 3.316 -7.809 1.00 0.09 C ATOM 1937 CD2 LEU B 34 -9.583 4.368 -8.834 1.00 0.14 C ATOM 0 H LEU B 34 -11.149 1.473 -8.019 1.00 0.06 H new ATOM 0 HA LEU B 34 -9.378 -0.113 -9.667 1.00 0.09 H new ATOM 0 HB2 LEU B 34 -8.076 1.919 -9.823 1.00 0.12 H new ATOM 0 HB3 LEU B 34 -9.769 2.274 -10.105 1.00 0.12 H new ATOM 0 HG LEU B 34 -9.588 2.764 -7.423 1.00 0.10 H new ATOM 0 HD11 LEU B 34 -7.558 4.105 -7.057 1.00 0.09 H new ATOM 0 HD12 LEU B 34 -7.175 2.397 -7.376 1.00 0.09 H new ATOM 0 HD13 LEU B 34 -6.950 3.613 -8.655 1.00 0.09 H new ATOM 0 HD21 LEU B 34 -9.539 5.146 -8.072 1.00 0.14 H new ATOM 0 HD22 LEU B 34 -9.012 4.682 -9.708 1.00 0.14 H new ATOM 0 HD23 LEU B 34 -10.621 4.200 -9.121 1.00 0.14 H new ATOM 1949 N VAL B 35 -8.875 0.063 -6.516 1.00 0.05 N ATOM 1950 CA VAL B 35 -8.012 -0.380 -5.426 1.00 0.08 C ATOM 1951 C VAL B 35 -7.612 -1.839 -5.632 1.00 0.08 C ATOM 1952 O VAL B 35 -6.435 -2.189 -5.559 1.00 0.11 O ATOM 1953 CB VAL B 35 -8.701 -0.229 -4.053 1.00 0.09 C ATOM 1954 CG1 VAL B 35 -7.762 -0.636 -2.930 1.00 0.14 C ATOM 1955 CG2 VAL B 35 -9.185 1.198 -3.850 1.00 0.09 C ATOM 0 H VAL B 35 -9.818 0.327 -6.229 1.00 0.05 H new ATOM 0 HA VAL B 35 -7.125 0.254 -5.435 1.00 0.08 H new ATOM 0 HB VAL B 35 -9.565 -0.893 -4.033 1.00 0.09 H new ATOM 0 HG11 VAL B 35 -8.269 -0.521 -1.972 1.00 0.14 H new ATOM 0 HG12 VAL B 35 -7.467 -1.677 -3.062 1.00 0.14 H new ATOM 0 HG13 VAL B 35 -6.875 -0.002 -2.949 1.00 0.14 H new ATOM 0 HG21 VAL B 35 -9.668 1.283 -2.876 1.00 0.09 H new ATOM 0 HG22 VAL B 35 -8.336 1.880 -3.895 1.00 0.09 H new ATOM 0 HG23 VAL B 35 -9.899 1.455 -4.633 1.00 0.09 H new ATOM 1965 N ALA B 36 -8.601 -2.678 -5.913 1.00 0.07 N ATOM 1966 CA ALA B 36 -8.359 -4.095 -6.142 1.00 0.07 C ATOM 1967 C ALA B 36 -7.543 -4.291 -7.406 1.00 0.09 C ATOM 1968 O ALA B 36 -6.608 -5.089 -7.438 1.00 0.09 O ATOM 1969 CB ALA B 36 -9.673 -4.854 -6.242 1.00 0.08 C ATOM 0 H ALA B 36 -9.580 -2.400 -5.988 1.00 0.07 H new ATOM 0 HA ALA B 36 -7.797 -4.489 -5.295 1.00 0.07 H new ATOM 0 HB1 ALA B 36 -9.470 -5.911 -6.413 1.00 0.08 H new ATOM 0 HB2 ALA B 36 -10.232 -4.737 -5.314 1.00 0.08 H new ATOM 0 HB3 ALA B 36 -10.260 -4.458 -7.071 1.00 0.08 H new ATOM 1975 N ALA B 37 -7.892 -3.530 -8.439 1.00 0.12 N ATOM 1976 CA ALA B 37 -7.204 -3.605 -9.720 1.00 0.15 C ATOM 1977 C ALA B 37 -5.741 -3.189 -9.586 1.00 0.17 C ATOM 1978 O ALA B 37 -4.884 -3.702 -10.293 1.00 0.19 O ATOM 1979 CB ALA B 37 -7.914 -2.735 -10.749 1.00 0.21 C ATOM 0 H ALA B 37 -8.652 -2.851 -8.411 1.00 0.12 H new ATOM 0 HA ALA B 37 -7.227 -4.641 -10.058 1.00 0.15 H new ATOM 0 HB1 ALA B 37 -7.391 -2.799 -11.703 1.00 0.21 H new ATOM 0 HB2 ALA B 37 -8.940 -3.083 -10.874 1.00 0.21 H new ATOM 0 HB3 ALA B 37 -7.921 -1.700 -10.408 1.00 0.21 H new ATOM 1985 N PHE B 38 -5.466 -2.269 -8.668 1.00 0.16 N ATOM 1986 CA PHE B 38 -4.105 -1.790 -8.441 1.00 0.18 C ATOM 1987 C PHE B 38 -3.210 -2.927 -7.954 1.00 0.15 C ATOM 1988 O PHE B 38 -2.098 -3.117 -8.450 1.00 0.16 O ATOM 1989 CB PHE B 38 -4.108 -0.652 -7.416 1.00 0.23 C ATOM 1990 CG PHE B 38 -2.866 0.193 -7.439 1.00 0.20 C ATOM 1991 CD1 PHE B 38 -2.754 1.259 -8.317 1.00 0.37 C ATOM 1992 CD2 PHE B 38 -1.811 -0.074 -6.580 1.00 0.28 C ATOM 1993 CE1 PHE B 38 -1.618 2.042 -8.340 1.00 0.36 C ATOM 1994 CE2 PHE B 38 -0.670 0.705 -6.599 1.00 0.27 C ATOM 1995 CZ PHE B 38 -0.573 1.765 -7.481 1.00 0.14 C ATOM 0 H PHE B 38 -6.169 -1.838 -8.067 1.00 0.16 H new ATOM 0 HA PHE B 38 -3.711 -1.416 -9.386 1.00 0.18 H new ATOM 0 HB2 PHE B 38 -4.973 -0.014 -7.599 1.00 0.23 H new ATOM 0 HB3 PHE B 38 -4.229 -1.075 -6.419 1.00 0.23 H new ATOM 0 HD1 PHE B 38 -3.567 1.480 -8.993 1.00 0.37 H new ATOM 0 HD2 PHE B 38 -1.882 -0.900 -5.888 1.00 0.28 H new ATOM 0 HE1 PHE B 38 -1.546 2.871 -9.029 1.00 0.36 H new ATOM 0 HE2 PHE B 38 0.145 0.486 -5.925 1.00 0.27 H new ATOM 0 HZ PHE B 38 0.318 2.375 -7.498 1.00 0.14 H new ATOM 2005 N VAL B 39 -3.712 -3.687 -6.989 1.00 0.14 N ATOM 2006 CA VAL B 39 -2.967 -4.809 -6.434 1.00 0.14 C ATOM 2007 C VAL B 39 -2.928 -5.959 -7.432 1.00 0.14 C ATOM 2008 O VAL B 39 -1.882 -6.566 -7.653 1.00 0.19 O ATOM 2009 CB VAL B 39 -3.586 -5.315 -5.111 1.00 0.15 C ATOM 2010 CG1 VAL B 39 -2.722 -6.409 -4.497 1.00 0.15 C ATOM 2011 CG2 VAL B 39 -3.773 -4.171 -4.127 1.00 0.22 C ATOM 0 H VAL B 39 -4.633 -3.546 -6.574 1.00 0.14 H new ATOM 0 HA VAL B 39 -1.957 -4.453 -6.229 1.00 0.14 H new ATOM 0 HB VAL B 39 -4.566 -5.735 -5.337 1.00 0.15 H new ATOM 0 HG11 VAL B 39 -3.175 -6.751 -3.567 1.00 0.15 H new ATOM 0 HG12 VAL B 39 -2.645 -7.245 -5.192 1.00 0.15 H new ATOM 0 HG13 VAL B 39 -1.727 -6.015 -4.292 1.00 0.15 H new ATOM 0 HG21 VAL B 39 -4.210 -4.553 -3.204 1.00 0.22 H new ATOM 0 HG22 VAL B 39 -2.807 -3.716 -3.910 1.00 0.22 H new ATOM 0 HG23 VAL B 39 -4.437 -3.423 -4.561 1.00 0.22 H new ATOM 2021 N ASP B 40 -4.075 -6.229 -8.039 1.00 0.14 N ATOM 2022 CA ASP B 40 -4.209 -7.301 -9.024 1.00 0.21 C ATOM 2023 C ASP B 40 -3.238 -7.094 -10.183 1.00 0.27 C ATOM 2024 O ASP B 40 -2.539 -8.022 -10.599 1.00 0.34 O ATOM 2025 CB ASP B 40 -5.650 -7.341 -9.550 1.00 0.21 C ATOM 2026 CG ASP B 40 -6.030 -8.678 -10.146 1.00 0.33 C ATOM 2027 OD1 ASP B 40 -5.515 -9.030 -11.228 1.00 0.32 O1- ATOM 2028 OD2 ASP B 40 -6.867 -9.380 -9.541 1.00 0.47 O ATOM 0 H ASP B 40 -4.939 -5.715 -7.866 1.00 0.14 H new ATOM 0 HA ASP B 40 -3.971 -8.249 -8.542 1.00 0.21 H new ATOM 0 HB2 ASP B 40 -6.334 -7.106 -8.735 1.00 0.21 H new ATOM 0 HB3 ASP B 40 -5.776 -6.565 -10.305 1.00 0.21 H new ATOM 2033 N ASP B 41 -3.189 -5.866 -10.682 1.00 0.28 N ATOM 2034 CA ASP B 41 -2.315 -5.511 -11.796 1.00 0.37 C ATOM 2035 C ASP B 41 -0.849 -5.630 -11.401 1.00 0.32 C ATOM 2036 O ASP B 41 -0.056 -6.271 -12.098 1.00 0.32 O ATOM 2037 CB ASP B 41 -2.609 -4.083 -12.257 1.00 0.46 C ATOM 2038 CG ASP B 41 -2.270 -3.855 -13.714 1.00 0.78 C ATOM 2039 OD1 ASP B 41 -1.094 -3.587 -14.024 1.00 1.11 O1- ATOM 2040 OD2 ASP B 41 -3.185 -3.934 -14.559 1.00 0.92 O ATOM 0 H ASP B 41 -3.750 -5.091 -10.329 1.00 0.28 H new ATOM 0 HA ASP B 41 -2.510 -6.205 -12.613 1.00 0.37 H new ATOM 0 HB2 ASP B 41 -3.665 -3.864 -12.096 1.00 0.46 H new ATOM 0 HB3 ASP B 41 -2.041 -3.384 -11.643 1.00 0.46 H new ATOM 2045 N LYS B 42 -0.498 -5.028 -10.264 1.00 0.28 N ATOM 2046 CA LYS B 42 0.877 -5.055 -9.775 1.00 0.24 C ATOM 2047 C LYS B 42 1.335 -6.489 -9.492 1.00 0.20 C ATOM 2048 O LYS B 42 2.484 -6.843 -9.751 1.00 0.18 O ATOM 2049 CB LYS B 42 1.026 -4.182 -8.522 1.00 0.24 C ATOM 2050 CG LYS B 42 2.474 -3.965 -8.103 1.00 0.21 C ATOM 2051 CD LYS B 42 2.688 -2.607 -7.446 1.00 0.40 C ATOM 2052 CE LYS B 42 2.616 -1.479 -8.466 1.00 0.55 C ATOM 2053 NZ LYS B 42 3.516 -0.346 -8.113 1.00 0.48 N1+ ATOM 0 H LYS B 42 -1.148 -4.517 -9.666 1.00 0.28 H new ATOM 0 HA LYS B 42 1.517 -4.646 -10.557 1.00 0.24 H new ATOM 0 HB2 LYS B 42 0.560 -3.214 -8.706 1.00 0.24 H new ATOM 0 HB3 LYS B 42 0.483 -4.646 -7.699 1.00 0.24 H new ATOM 0 HG2 LYS B 42 2.771 -4.752 -7.410 1.00 0.21 H new ATOM 0 HG3 LYS B 42 3.120 -4.049 -8.977 1.00 0.21 H new ATOM 0 HD2 LYS B 42 1.933 -2.451 -6.675 1.00 0.40 H new ATOM 0 HD3 LYS B 42 3.659 -2.590 -6.950 1.00 0.40 H new ATOM 0 HE2 LYS B 42 2.886 -1.863 -9.450 1.00 0.55 H new ATOM 0 HE3 LYS B 42 1.590 -1.118 -8.535 1.00 0.55 H new ATOM 0 HZ1 LYS B 42 3.837 0.126 -8.982 1.00 0.48 H new ATOM 0 HZ2 LYS B 42 3.001 0.335 -7.519 1.00 0.48 H new ATOM 0 HZ3 LYS B 42 4.340 -0.707 -7.591 1.00 0.48 H new ATOM 2067 N MET B 43 0.439 -7.317 -8.972 1.00 0.21 N ATOM 2068 CA MET B 43 0.779 -8.709 -8.684 1.00 0.19 C ATOM 2069 C MET B 43 0.968 -9.488 -9.975 1.00 0.17 C ATOM 2070 O MET B 43 1.897 -10.286 -10.102 1.00 0.18 O ATOM 2071 CB MET B 43 -0.304 -9.375 -7.832 1.00 0.24 C ATOM 2072 CG MET B 43 -0.182 -9.087 -6.346 1.00 0.25 C ATOM 2073 SD MET B 43 -1.299 -10.089 -5.347 1.00 0.31 S ATOM 2074 CE MET B 43 -0.571 -11.716 -5.542 1.00 0.24 C ATOM 0 H MET B 43 -0.520 -7.056 -8.742 1.00 0.21 H new ATOM 0 HA MET B 43 1.713 -8.714 -8.123 1.00 0.19 H new ATOM 0 HB2 MET B 43 -1.282 -9.040 -8.178 1.00 0.24 H new ATOM 0 HB3 MET B 43 -0.263 -10.453 -7.988 1.00 0.24 H new ATOM 0 HG2 MET B 43 0.845 -9.269 -6.028 1.00 0.25 H new ATOM 0 HG3 MET B 43 -0.389 -8.032 -6.167 1.00 0.25 H new ATOM 0 HE1 MET B 43 -0.894 -12.360 -4.724 1.00 0.24 H new ATOM 0 HE2 MET B 43 -0.891 -12.147 -6.491 1.00 0.24 H new ATOM 0 HE3 MET B 43 0.516 -11.632 -5.530 1.00 0.24 H new ATOM 2084 N HIS B 44 0.097 -9.232 -10.941 1.00 0.16 N ATOM 2085 CA HIS B 44 0.152 -9.912 -12.226 1.00 0.19 C ATOM 2086 C HIS B 44 1.435 -9.567 -12.980 1.00 0.25 C ATOM 2087 O HIS B 44 2.057 -10.438 -13.587 1.00 0.61 O ATOM 2088 CB HIS B 44 -1.072 -9.548 -13.070 1.00 0.26 C ATOM 2089 CG HIS B 44 -1.166 -10.307 -14.359 1.00 0.47 C ATOM 2090 ND1 HIS B 44 -1.010 -9.715 -15.594 1.00 0.54 N ATOM 2091 CD2 HIS B 44 -1.394 -11.618 -14.600 1.00 1.09 C ATOM 2092 CE1 HIS B 44 -1.136 -10.629 -16.534 1.00 1.18 C ATOM 2093 NE2 HIS B 44 -1.371 -11.791 -15.961 1.00 1.53 N ATOM 0 H HIS B 44 -0.660 -8.554 -10.857 1.00 0.16 H new ATOM 0 HA HIS B 44 0.149 -10.986 -12.039 1.00 0.19 H new ATOM 0 HB2 HIS B 44 -1.973 -9.732 -12.485 1.00 0.26 H new ATOM 0 HB3 HIS B 44 -1.046 -8.481 -13.289 1.00 0.26 H new ATOM 0 HD2 HIS B 44 -1.563 -12.386 -13.859 1.00 1.09 H new ATOM 0 HE1 HIS B 44 -1.059 -10.455 -17.597 1.00 1.18 H new ATOM 0 HE2 HIS B 44 -1.513 -12.675 -16.449 1.00 1.53 H new ATOM 2102 N GLU B 45 1.840 -8.304 -12.928 1.00 0.14 N ATOM 2103 CA GLU B 45 3.045 -7.870 -13.622 1.00 0.11 C ATOM 2104 C GLU B 45 4.297 -8.465 -12.977 1.00 0.07 C ATOM 2105 O GLU B 45 5.315 -8.645 -13.640 1.00 0.03 O ATOM 2106 CB GLU B 45 3.140 -6.342 -13.656 1.00 0.10 C ATOM 2107 CG GLU B 45 3.643 -5.722 -12.358 1.00 0.07 C ATOM 2108 CD GLU B 45 3.846 -4.229 -12.468 1.00 0.22 C ATOM 2109 OE1 GLU B 45 2.847 -3.485 -12.469 1.00 0.43 O1- ATOM 2110 OE2 GLU B 45 5.010 -3.792 -12.567 1.00 0.49 O ATOM 0 H GLU B 45 1.355 -7.567 -12.416 1.00 0.14 H new ATOM 0 HA GLU B 45 2.982 -8.234 -14.648 1.00 0.11 H new ATOM 0 HB2 GLU B 45 3.805 -6.048 -14.468 1.00 0.10 H new ATOM 0 HB3 GLU B 45 2.156 -5.932 -13.885 1.00 0.10 H new ATOM 0 HG2 GLU B 45 2.930 -5.930 -11.560 1.00 0.07 H new ATOM 0 HG3 GLU B 45 4.584 -6.193 -12.075 1.00 0.07 H new ATOM 2117 N PHE B 46 4.220 -8.770 -11.688 1.00 0.11 N ATOM 2118 CA PHE B 46 5.352 -9.345 -10.975 1.00 0.10 C ATOM 2119 C PHE B 46 5.360 -10.868 -11.103 1.00 0.10 C ATOM 2120 O PHE B 46 6.400 -11.508 -10.936 1.00 0.11 O ATOM 2121 CB PHE B 46 5.326 -8.939 -9.500 1.00 0.11 C ATOM 2122 CG PHE B 46 6.126 -7.702 -9.195 1.00 0.13 C ATOM 2123 CD1 PHE B 46 7.512 -7.736 -9.215 1.00 0.14 C ATOM 2124 CD2 PHE B 46 5.494 -6.505 -8.891 1.00 0.16 C ATOM 2125 CE1 PHE B 46 8.252 -6.602 -8.934 1.00 0.14 C ATOM 2126 CE2 PHE B 46 6.228 -5.367 -8.611 1.00 0.17 C ATOM 2127 CZ PHE B 46 7.610 -5.416 -8.634 1.00 0.15 C ATOM 0 H PHE B 46 3.387 -8.629 -11.116 1.00 0.11 H new ATOM 0 HA PHE B 46 6.265 -8.956 -11.427 1.00 0.10 H new ATOM 0 HB2 PHE B 46 4.292 -8.775 -9.196 1.00 0.11 H new ATOM 0 HB3 PHE B 46 5.708 -9.764 -8.899 1.00 0.11 H new ATOM 0 HD1 PHE B 46 8.020 -8.659 -9.453 1.00 0.14 H new ATOM 0 HD2 PHE B 46 4.415 -6.461 -8.873 1.00 0.16 H new ATOM 0 HE1 PHE B 46 9.331 -6.643 -8.949 1.00 0.14 H new ATOM 0 HE2 PHE B 46 5.723 -4.442 -8.375 1.00 0.17 H new ATOM 0 HZ PHE B 46 8.186 -4.529 -8.418 1.00 0.15 H new ATOM 2137 N SER B 47 4.194 -11.438 -11.408 1.00 0.09 N ATOM 2138 CA SER B 47 4.051 -12.886 -11.568 1.00 0.10 C ATOM 2139 C SER B 47 4.931 -13.419 -12.701 1.00 0.09 C ATOM 2140 O SER B 47 5.363 -14.570 -12.673 1.00 0.13 O ATOM 2141 CB SER B 47 2.587 -13.247 -11.844 1.00 0.13 C ATOM 2142 OG SER B 47 1.751 -12.879 -10.754 1.00 0.49 O ATOM 0 H SER B 47 3.330 -10.915 -11.550 1.00 0.09 H new ATOM 0 HA SER B 47 4.375 -13.351 -10.637 1.00 0.10 H new ATOM 0 HB2 SER B 47 2.250 -12.743 -12.750 1.00 0.13 H new ATOM 0 HB3 SER B 47 2.502 -14.319 -12.025 1.00 0.13 H new ATOM 0 HG SER B 47 1.757 -11.904 -10.652 1.00 0.49 H new ATOM 2148 N GLU B 48 5.206 -12.580 -13.695 1.00 0.13 N ATOM 2149 CA GLU B 48 6.032 -12.998 -14.825 1.00 0.12 C ATOM 2150 C GLU B 48 7.520 -12.816 -14.527 1.00 0.09 C ATOM 2151 O GLU B 48 8.371 -13.375 -15.219 1.00 0.07 O ATOM 2152 CB GLU B 48 5.649 -12.233 -16.094 1.00 0.15 C ATOM 2153 CG GLU B 48 5.765 -10.726 -15.960 1.00 0.17 C ATOM 2154 CD GLU B 48 6.543 -10.100 -17.096 1.00 0.71 C ATOM 2155 OE1 GLU B 48 7.786 -10.029 -17.003 1.00 1.67 O ATOM 2156 OE2 GLU B 48 5.914 -9.675 -18.083 1.00 0.76 O1- ATOM 0 H GLU B 48 4.874 -11.617 -13.743 1.00 0.13 H new ATOM 0 HA GLU B 48 5.847 -14.060 -14.988 1.00 0.12 H new ATOM 0 HB2 GLU B 48 6.286 -12.565 -16.914 1.00 0.15 H new ATOM 0 HB3 GLU B 48 4.624 -12.486 -16.364 1.00 0.15 H new ATOM 0 HG2 GLU B 48 4.767 -10.290 -15.925 1.00 0.17 H new ATOM 0 HG3 GLU B 48 6.252 -10.485 -15.015 1.00 0.17 H new ATOM 2163 N LYS B 49 7.834 -12.037 -13.495 1.00 0.10 N ATOM 2164 CA LYS B 49 9.227 -11.800 -13.121 1.00 0.10 C ATOM 2165 C LYS B 49 9.754 -12.960 -12.291 1.00 0.15 C ATOM 2166 O LYS B 49 10.948 -13.261 -12.318 1.00 0.23 O ATOM 2167 CB LYS B 49 9.373 -10.490 -12.339 1.00 0.09 C ATOM 2168 CG LYS B 49 9.676 -9.283 -13.212 1.00 0.12 C ATOM 2169 CD LYS B 49 8.416 -8.725 -13.849 1.00 0.05 C ATOM 2170 CE LYS B 49 8.724 -7.565 -14.781 1.00 1.11 C ATOM 2171 NZ LYS B 49 9.267 -8.030 -16.085 1.00 1.14 N1+ ATOM 0 H LYS B 49 7.149 -11.562 -12.907 1.00 0.10 H new ATOM 0 HA LYS B 49 9.812 -11.720 -14.037 1.00 0.10 H new ATOM 0 HB2 LYS B 49 8.453 -10.304 -11.785 1.00 0.09 H new ATOM 0 HB3 LYS B 49 10.170 -10.604 -11.604 1.00 0.09 H new ATOM 0 HG2 LYS B 49 10.154 -8.509 -12.611 1.00 0.12 H new ATOM 0 HG3 LYS B 49 10.384 -9.565 -13.991 1.00 0.12 H new ATOM 0 HD2 LYS B 49 7.909 -9.514 -14.405 1.00 0.05 H new ATOM 0 HD3 LYS B 49 7.730 -8.393 -13.069 1.00 0.05 H new ATOM 0 HE2 LYS B 49 7.817 -6.986 -14.952 1.00 1.11 H new ATOM 0 HE3 LYS B 49 9.443 -6.898 -14.305 1.00 1.11 H new ATOM 0 HZ1 LYS B 49 9.574 -7.210 -16.645 1.00 1.14 H new ATOM 0 HZ2 LYS B 49 10.078 -8.659 -15.919 1.00 1.14 H new ATOM 0 HZ3 LYS B 49 8.529 -8.547 -16.604 1.00 1.14 H new ATOM 2185 N GLN B 50 8.842 -13.597 -11.555 1.00 0.20 N ATOM 2186 CA GLN B 50 9.169 -14.744 -10.700 1.00 0.30 C ATOM 2187 C GLN B 50 10.332 -14.433 -9.754 1.00 0.13 C ATOM 2188 O GLN B 50 11.368 -15.097 -9.799 1.00 0.29 O ATOM 2189 CB GLN B 50 9.505 -15.963 -11.561 1.00 0.53 C ATOM 2190 CG GLN B 50 8.355 -16.405 -12.449 1.00 1.05 C ATOM 2191 CD GLN B 50 8.784 -17.383 -13.522 1.00 1.30 C ATOM 2192 OE1 GLN B 50 9.701 -18.178 -13.330 1.00 1.37 O ATOM 2193 NE2 GLN B 50 8.128 -17.319 -14.669 1.00 1.60 N ATOM 0 H GLN B 50 7.857 -13.334 -11.533 1.00 0.20 H new ATOM 0 HA GLN B 50 8.293 -14.962 -10.089 1.00 0.30 H new ATOM 0 HB2 GLN B 50 10.369 -15.732 -12.185 1.00 0.53 H new ATOM 0 HB3 GLN B 50 9.793 -16.790 -10.912 1.00 0.53 H new ATOM 0 HG2 GLN B 50 7.582 -16.865 -11.833 1.00 1.05 H new ATOM 0 HG3 GLN B 50 7.908 -15.529 -12.920 1.00 1.05 H new ATOM 0 HE21 GLN B 50 7.372 -16.644 -14.787 1.00 1.60 H new ATOM 0 HE22 GLN B 50 8.378 -17.945 -15.435 1.00 1.60 H new ATOM 2202 N PRO B 51 10.177 -13.426 -8.879 1.00 0.16 N ATOM 2203 CA PRO B 51 11.235 -13.043 -7.945 1.00 0.27 C ATOM 2204 C PRO B 51 11.489 -14.114 -6.887 1.00 0.20 C ATOM 2205 O PRO B 51 12.634 -14.471 -6.619 1.00 0.19 O ATOM 2206 CB PRO B 51 10.716 -11.752 -7.302 1.00 0.48 C ATOM 2207 CG PRO B 51 9.238 -11.772 -7.497 1.00 0.51 C ATOM 2208 CD PRO B 51 8.971 -12.589 -8.733 1.00 0.41 C ATOM 0 HA PRO B 51 12.192 -12.914 -8.451 1.00 0.27 H new ATOM 0 HB2 PRO B 51 10.971 -11.712 -6.243 1.00 0.48 H new ATOM 0 HB3 PRO B 51 11.161 -10.874 -7.771 1.00 0.48 H new ATOM 0 HG2 PRO B 51 8.740 -12.208 -6.631 1.00 0.51 H new ATOM 0 HG3 PRO B 51 8.850 -10.760 -7.612 1.00 0.51 H new ATOM 0 HD2 PRO B 51 8.074 -13.198 -8.622 1.00 0.41 H new ATOM 0 HD3 PRO B 51 8.819 -11.954 -9.606 1.00 0.41 H new ATOM 2216 N MET B 52 10.417 -14.625 -6.294 1.00 0.17 N ATOM 2217 CA MET B 52 10.535 -15.655 -5.266 1.00 0.11 C ATOM 2218 C MET B 52 9.909 -16.972 -5.708 1.00 0.09 C ATOM 2219 O MET B 52 9.995 -17.966 -4.991 1.00 0.08 O ATOM 2220 CB MET B 52 9.877 -15.181 -3.966 1.00 0.12 C ATOM 2221 CG MET B 52 10.593 -14.010 -3.313 1.00 0.18 C ATOM 2222 SD MET B 52 12.281 -14.409 -2.818 1.00 0.26 S ATOM 2223 CE MET B 52 12.867 -12.796 -2.308 1.00 0.43 C ATOM 0 H MET B 52 9.459 -14.345 -6.505 1.00 0.17 H new ATOM 0 HA MET B 52 11.598 -15.829 -5.098 1.00 0.11 H new ATOM 0 HB2 MET B 52 8.846 -14.895 -4.174 1.00 0.12 H new ATOM 0 HB3 MET B 52 9.842 -16.013 -3.262 1.00 0.12 H new ATOM 0 HG2 MET B 52 10.612 -13.169 -4.007 1.00 0.18 H new ATOM 0 HG3 MET B 52 10.029 -13.688 -2.437 1.00 0.18 H new ATOM 0 HE1 MET B 52 13.895 -12.877 -1.956 1.00 0.43 H new ATOM 0 HE2 MET B 52 12.826 -12.110 -3.154 1.00 0.43 H new ATOM 0 HE3 MET B 52 12.237 -12.418 -1.503 1.00 0.43 H new ATOM 2233 N LEU B 53 9.292 -16.977 -6.897 1.00 0.10 N ATOM 2234 CA LEU B 53 8.638 -18.173 -7.427 1.00 0.11 C ATOM 2235 C LEU B 53 7.656 -18.736 -6.407 1.00 0.08 C ATOM 2236 O LEU B 53 7.644 -19.936 -6.127 1.00 0.10 O ATOM 2237 CB LEU B 53 9.682 -19.226 -7.811 1.00 0.19 C ATOM 2238 CG LEU B 53 10.461 -18.919 -9.088 1.00 0.25 C ATOM 2239 CD1 LEU B 53 11.877 -19.456 -8.997 1.00 0.62 C ATOM 2240 CD2 LEU B 53 9.749 -19.507 -10.294 1.00 1.07 C ATOM 0 H LEU B 53 9.234 -16.163 -7.509 1.00 0.10 H new ATOM 0 HA LEU B 53 8.082 -17.898 -8.324 1.00 0.11 H new ATOM 0 HB2 LEU B 53 10.389 -19.334 -6.988 1.00 0.19 H new ATOM 0 HB3 LEU B 53 9.182 -20.187 -7.929 1.00 0.19 H new ATOM 0 HG LEU B 53 10.513 -17.837 -9.205 1.00 0.25 H new ATOM 0 HD11 LEU B 53 12.413 -19.226 -9.918 1.00 0.62 H new ATOM 0 HD12 LEU B 53 12.388 -18.992 -8.153 1.00 0.62 H new ATOM 0 HD13 LEU B 53 11.848 -20.536 -8.854 1.00 0.62 H new ATOM 0 HD21 LEU B 53 10.316 -19.280 -11.197 1.00 1.07 H new ATOM 0 HD22 LEU B 53 9.668 -20.588 -10.178 1.00 1.07 H new ATOM 0 HD23 LEU B 53 8.751 -19.075 -10.374 1.00 1.07 H new ATOM 2252 N ASP B 54 6.832 -17.854 -5.862 1.00 0.09 N ATOM 2253 CA ASP B 54 5.855 -18.229 -4.853 1.00 0.12 C ATOM 2254 C ASP B 54 4.744 -17.186 -4.803 1.00 0.10 C ATOM 2255 O ASP B 54 5.004 -15.995 -4.987 1.00 0.18 O ATOM 2256 CB ASP B 54 6.549 -18.343 -3.493 1.00 0.19 C ATOM 2257 CG ASP B 54 5.622 -18.781 -2.387 1.00 0.24 C ATOM 2258 OD1 ASP B 54 4.985 -19.845 -2.525 1.00 0.26 O ATOM 2259 OD2 ASP B 54 5.540 -18.073 -1.361 1.00 0.28 O1- ATOM 0 H ASP B 54 6.822 -16.864 -6.105 1.00 0.09 H new ATOM 0 HA ASP B 54 5.414 -19.193 -5.105 1.00 0.12 H new ATOM 0 HB2 ASP B 54 7.372 -19.053 -3.571 1.00 0.19 H new ATOM 0 HB3 ASP B 54 6.984 -17.378 -3.233 1.00 0.19 H new ATOM 2264 N VAL B 55 3.513 -17.627 -4.566 1.00 0.11 N ATOM 2265 CA VAL B 55 2.368 -16.718 -4.514 1.00 0.12 C ATOM 2266 C VAL B 55 2.352 -15.869 -3.228 1.00 0.08 C ATOM 2267 O VAL B 55 2.262 -14.642 -3.314 1.00 0.04 O ATOM 2268 CB VAL B 55 1.025 -17.468 -4.678 1.00 0.17 C ATOM 2269 CG1 VAL B 55 -0.149 -16.497 -4.642 1.00 0.08 C ATOM 2270 CG2 VAL B 55 1.020 -18.260 -5.974 1.00 0.32 C ATOM 0 H VAL B 55 3.280 -18.607 -4.407 1.00 0.11 H new ATOM 0 HA VAL B 55 2.485 -16.040 -5.360 1.00 0.12 H new ATOM 0 HB VAL B 55 0.916 -18.161 -3.843 1.00 0.17 H new ATOM 0 HG11 VAL B 55 -1.082 -17.049 -4.759 1.00 0.08 H new ATOM 0 HG12 VAL B 55 -0.157 -15.971 -3.688 1.00 0.08 H new ATOM 0 HG13 VAL B 55 -0.050 -15.776 -5.453 1.00 0.08 H new ATOM 0 HG21 VAL B 55 0.069 -18.783 -6.077 1.00 0.32 H new ATOM 0 HG22 VAL B 55 1.154 -17.581 -6.816 1.00 0.32 H new ATOM 0 HG23 VAL B 55 1.834 -18.985 -5.960 1.00 0.32 H new ATOM 2280 N PRO B 56 2.428 -16.480 -2.017 1.00 0.10 N ATOM 2281 CA PRO B 56 2.432 -15.714 -0.761 1.00 0.10 C ATOM 2282 C PRO B 56 3.516 -14.641 -0.738 1.00 0.07 C ATOM 2283 O PRO B 56 3.274 -13.503 -0.330 1.00 0.14 O ATOM 2284 CB PRO B 56 2.716 -16.772 0.306 1.00 0.14 C ATOM 2285 CG PRO B 56 2.232 -18.044 -0.287 1.00 0.15 C ATOM 2286 CD PRO B 56 2.486 -17.935 -1.762 1.00 0.14 C ATOM 0 HA PRO B 56 1.494 -15.179 -0.613 1.00 0.10 H new ATOM 0 HB2 PRO B 56 3.779 -16.823 0.540 1.00 0.14 H new ATOM 0 HB3 PRO B 56 2.196 -16.546 1.237 1.00 0.14 H new ATOM 0 HG2 PRO B 56 2.759 -18.898 0.138 1.00 0.15 H new ATOM 0 HG3 PRO B 56 1.171 -18.191 -0.083 1.00 0.15 H new ATOM 0 HD2 PRO B 56 3.456 -18.352 -2.034 1.00 0.14 H new ATOM 0 HD3 PRO B 56 1.735 -18.474 -2.339 1.00 0.14 H new ATOM 2294 N LYS B 57 4.702 -15.013 -1.194 1.00 0.09 N ATOM 2295 CA LYS B 57 5.837 -14.097 -1.240 1.00 0.06 C ATOM 2296 C LYS B 57 5.578 -12.957 -2.220 1.00 0.07 C ATOM 2297 O LYS B 57 6.034 -11.835 -2.019 1.00 0.12 O ATOM 2298 CB LYS B 57 7.108 -14.844 -1.651 1.00 0.12 C ATOM 2299 CG LYS B 57 7.908 -15.413 -0.485 1.00 0.17 C ATOM 2300 CD LYS B 57 7.011 -16.015 0.588 1.00 0.47 C ATOM 2301 CE LYS B 57 7.647 -17.234 1.231 1.00 0.23 C ATOM 2302 NZ LYS B 57 7.597 -18.418 0.339 1.00 0.62 N1+ ATOM 0 H LYS B 57 4.907 -15.950 -1.541 1.00 0.09 H new ATOM 0 HA LYS B 57 5.970 -13.679 -0.242 1.00 0.06 H new ATOM 0 HB2 LYS B 57 6.835 -15.659 -2.321 1.00 0.12 H new ATOM 0 HB3 LYS B 57 7.746 -14.166 -2.217 1.00 0.12 H new ATOM 0 HG2 LYS B 57 8.592 -16.177 -0.854 1.00 0.17 H new ATOM 0 HG3 LYS B 57 8.518 -14.624 -0.046 1.00 0.17 H new ATOM 0 HD2 LYS B 57 6.805 -15.266 1.353 1.00 0.47 H new ATOM 0 HD3 LYS B 57 6.053 -16.293 0.148 1.00 0.47 H new ATOM 0 HE2 LYS B 57 8.684 -17.012 1.483 1.00 0.23 H new ATOM 0 HE3 LYS B 57 7.134 -17.461 2.165 1.00 0.23 H new ATOM 0 HZ1 LYS B 57 7.717 -19.283 0.903 1.00 0.62 H new ATOM 0 HZ2 LYS B 57 6.679 -18.447 -0.148 1.00 0.62 H new ATOM 0 HZ3 LYS B 57 8.360 -18.355 -0.365 1.00 0.62 H new ATOM 2316 N LEU B 58 4.833 -13.254 -3.274 1.00 0.07 N ATOM 2317 CA LEU B 58 4.519 -12.266 -4.295 1.00 0.11 C ATOM 2318 C LEU B 58 3.522 -11.236 -3.767 1.00 0.11 C ATOM 2319 O LEU B 58 3.670 -10.039 -4.010 1.00 0.14 O ATOM 2320 CB LEU B 58 3.940 -12.959 -5.530 1.00 0.14 C ATOM 2321 CG LEU B 58 4.074 -12.185 -6.837 1.00 0.16 C ATOM 2322 CD1 LEU B 58 5.473 -12.345 -7.409 1.00 0.17 C ATOM 2323 CD2 LEU B 58 3.033 -12.652 -7.837 1.00 0.27 C ATOM 0 H LEU B 58 4.433 -14.176 -3.445 1.00 0.07 H new ATOM 0 HA LEU B 58 5.440 -11.749 -4.566 1.00 0.11 H new ATOM 0 HB2 LEU B 58 4.431 -13.925 -5.647 1.00 0.14 H new ATOM 0 HB3 LEU B 58 2.883 -13.158 -5.352 1.00 0.14 H new ATOM 0 HG LEU B 58 3.906 -11.128 -6.632 1.00 0.16 H new ATOM 0 HD11 LEU B 58 5.551 -11.786 -8.342 1.00 0.17 H new ATOM 0 HD12 LEU B 58 6.204 -11.964 -6.695 1.00 0.17 H new ATOM 0 HD13 LEU B 58 5.669 -13.400 -7.601 1.00 0.17 H new ATOM 0 HD21 LEU B 58 3.142 -12.090 -8.765 1.00 0.27 H new ATOM 0 HD22 LEU B 58 3.172 -13.714 -8.038 1.00 0.27 H new ATOM 0 HD23 LEU B 58 2.036 -12.488 -7.428 1.00 0.27 H new ATOM 2335 N ALA B 59 2.524 -11.714 -3.029 1.00 0.08 N ATOM 2336 CA ALA B 59 1.488 -10.847 -2.472 1.00 0.09 C ATOM 2337 C ALA B 59 2.061 -9.824 -1.495 1.00 0.14 C ATOM 2338 O ALA B 59 1.639 -8.668 -1.475 1.00 0.31 O ATOM 2339 CB ALA B 59 0.417 -11.688 -1.794 1.00 0.07 C ATOM 0 H ALA B 59 2.410 -12.702 -2.802 1.00 0.08 H new ATOM 0 HA ALA B 59 1.043 -10.290 -3.297 1.00 0.09 H new ATOM 0 HB1 ALA B 59 -0.352 -11.035 -1.381 1.00 0.07 H new ATOM 0 HB2 ALA B 59 -0.033 -12.362 -2.524 1.00 0.07 H new ATOM 0 HB3 ALA B 59 0.867 -12.271 -0.991 1.00 0.07 H new ATOM 2345 N VAL B 60 3.022 -10.245 -0.686 1.00 0.02 N ATOM 2346 CA VAL B 60 3.634 -9.342 0.281 1.00 0.05 C ATOM 2347 C VAL B 60 4.681 -8.456 -0.397 1.00 0.08 C ATOM 2348 O VAL B 60 4.976 -7.351 0.068 1.00 0.12 O ATOM 2349 CB VAL B 60 4.267 -10.106 1.469 1.00 0.07 C ATOM 2350 CG1 VAL B 60 5.499 -10.876 1.038 1.00 0.07 C ATOM 2351 CG2 VAL B 60 4.601 -9.157 2.611 1.00 0.13 C ATOM 0 H VAL B 60 3.393 -11.195 -0.678 1.00 0.02 H new ATOM 0 HA VAL B 60 2.839 -8.712 0.681 1.00 0.05 H new ATOM 0 HB VAL B 60 3.530 -10.826 1.825 1.00 0.07 H new ATOM 0 HG11 VAL B 60 5.919 -11.401 1.896 1.00 0.07 H new ATOM 0 HG12 VAL B 60 5.226 -11.598 0.269 1.00 0.07 H new ATOM 0 HG13 VAL B 60 6.240 -10.183 0.639 1.00 0.07 H new ATOM 0 HG21 VAL B 60 5.044 -9.719 3.433 1.00 0.13 H new ATOM 0 HG22 VAL B 60 5.308 -8.404 2.263 1.00 0.13 H new ATOM 0 HG23 VAL B 60 3.690 -8.668 2.956 1.00 0.13 H new ATOM 2361 N LEU B 61 5.222 -8.942 -1.510 1.00 0.08 N ATOM 2362 CA LEU B 61 6.222 -8.204 -2.266 1.00 0.11 C ATOM 2363 C LEU B 61 5.610 -6.931 -2.840 1.00 0.11 C ATOM 2364 O LEU B 61 6.211 -5.857 -2.789 1.00 0.13 O ATOM 2365 CB LEU B 61 6.779 -9.071 -3.398 1.00 0.13 C ATOM 2366 CG LEU B 61 7.849 -8.405 -4.266 1.00 0.17 C ATOM 2367 CD1 LEU B 61 9.204 -8.438 -3.573 1.00 0.17 C ATOM 2368 CD2 LEU B 61 7.926 -9.080 -5.623 1.00 0.17 C ATOM 0 H LEU B 61 4.981 -9.850 -1.908 1.00 0.08 H new ATOM 0 HA LEU B 61 7.038 -7.935 -1.595 1.00 0.11 H new ATOM 0 HB2 LEU B 61 7.199 -9.979 -2.965 1.00 0.13 H new ATOM 0 HB3 LEU B 61 5.953 -9.377 -4.040 1.00 0.13 H new ATOM 0 HG LEU B 61 7.569 -7.362 -4.414 1.00 0.17 H new ATOM 0 HD11 LEU B 61 9.949 -7.959 -4.208 1.00 0.17 H new ATOM 0 HD12 LEU B 61 9.140 -7.906 -2.624 1.00 0.17 H new ATOM 0 HD13 LEU B 61 9.494 -9.473 -3.390 1.00 0.17 H new ATOM 0 HD21 LEU B 61 8.692 -8.594 -6.228 1.00 0.17 H new ATOM 0 HD22 LEU B 61 8.180 -10.132 -5.492 1.00 0.17 H new ATOM 0 HD23 LEU B 61 6.962 -8.999 -6.125 1.00 0.17 H new ATOM 2380 N THR B 62 4.407 -7.060 -3.378 1.00 0.10 N ATOM 2381 CA THR B 62 3.709 -5.927 -3.952 1.00 0.09 C ATOM 2382 C THR B 62 3.210 -4.992 -2.855 1.00 0.09 C ATOM 2383 O THR B 62 3.172 -3.777 -3.039 1.00 0.08 O ATOM 2384 CB THR B 62 2.526 -6.393 -4.821 1.00 0.10 C ATOM 2385 OG1 THR B 62 1.805 -7.426 -4.141 1.00 0.18 O ATOM 2386 CG2 THR B 62 3.017 -6.923 -6.156 1.00 0.12 C ATOM 0 H THR B 62 3.895 -7.941 -3.428 1.00 0.10 H new ATOM 0 HA THR B 62 4.413 -5.386 -4.584 1.00 0.09 H new ATOM 0 HB THR B 62 1.872 -5.539 -4.999 1.00 0.10 H new ATOM 0 HG1 THR B 62 0.861 -7.393 -4.403 1.00 0.18 H new ATOM 0 HG21 THR B 62 2.165 -7.247 -6.754 1.00 0.12 H new ATOM 0 HG22 THR B 62 3.554 -6.135 -6.685 1.00 0.12 H new ATOM 0 HG23 THR B 62 3.685 -7.768 -5.989 1.00 0.12 H new ATOM 2394 N ALA B 63 2.847 -5.573 -1.711 1.00 0.10 N ATOM 2395 CA ALA B 63 2.353 -4.805 -0.573 1.00 0.11 C ATOM 2396 C ALA B 63 3.369 -3.765 -0.119 1.00 0.11 C ATOM 2397 O ALA B 63 3.044 -2.584 0.022 1.00 0.12 O ATOM 2398 CB ALA B 63 2.005 -5.733 0.583 1.00 0.10 C ATOM 0 H ALA B 63 2.887 -6.579 -1.550 1.00 0.10 H new ATOM 0 HA ALA B 63 1.453 -4.280 -0.894 1.00 0.11 H new ATOM 0 HB1 ALA B 63 1.638 -5.145 1.424 1.00 0.10 H new ATOM 0 HB2 ALA B 63 1.233 -6.435 0.267 1.00 0.10 H new ATOM 0 HB3 ALA B 63 2.894 -6.285 0.887 1.00 0.10 H new ATOM 2404 N VAL B 64 4.600 -4.205 0.102 1.00 0.09 N ATOM 2405 CA VAL B 64 5.660 -3.306 0.543 1.00 0.10 C ATOM 2406 C VAL B 64 6.016 -2.306 -0.556 1.00 0.12 C ATOM 2407 O VAL B 64 6.369 -1.160 -0.274 1.00 0.12 O ATOM 2408 CB VAL B 64 6.915 -4.089 0.995 1.00 0.10 C ATOM 2409 CG1 VAL B 64 7.620 -4.744 -0.184 1.00 0.12 C ATOM 2410 CG2 VAL B 64 7.871 -3.186 1.760 1.00 0.11 C ATOM 0 H VAL B 64 4.890 -5.176 -0.016 1.00 0.09 H new ATOM 0 HA VAL B 64 5.285 -2.753 1.404 1.00 0.10 H new ATOM 0 HB VAL B 64 6.583 -4.883 1.664 1.00 0.10 H new ATOM 0 HG11 VAL B 64 8.497 -5.285 0.171 1.00 0.12 H new ATOM 0 HG12 VAL B 64 6.939 -5.439 -0.675 1.00 0.12 H new ATOM 0 HG13 VAL B 64 7.930 -3.977 -0.894 1.00 0.12 H new ATOM 0 HG21 VAL B 64 8.746 -3.759 2.067 1.00 0.11 H new ATOM 0 HG22 VAL B 64 8.184 -2.362 1.119 1.00 0.11 H new ATOM 0 HG23 VAL B 64 7.369 -2.789 2.642 1.00 0.11 H new ATOM 2420 N GLN B 65 5.884 -2.732 -1.807 1.00 0.15 N ATOM 2421 CA GLN B 65 6.190 -1.870 -2.939 1.00 0.19 C ATOM 2422 C GLN B 65 5.184 -0.720 -3.008 1.00 0.13 C ATOM 2423 O GLN B 65 5.566 0.444 -3.131 1.00 0.16 O ATOM 2424 CB GLN B 65 6.190 -2.678 -4.245 1.00 0.34 C ATOM 2425 CG GLN B 65 7.146 -2.136 -5.306 1.00 0.57 C ATOM 2426 CD GLN B 65 6.499 -1.087 -6.188 1.00 0.79 C ATOM 2427 OE1 GLN B 65 5.887 -1.408 -7.204 1.00 0.98 O ATOM 2428 NE2 GLN B 65 6.630 0.170 -5.808 1.00 0.80 N ATOM 0 H GLN B 65 5.568 -3.668 -2.061 1.00 0.15 H new ATOM 0 HA GLN B 65 7.186 -1.449 -2.804 1.00 0.19 H new ATOM 0 HB2 GLN B 65 6.457 -3.711 -4.022 1.00 0.34 H new ATOM 0 HB3 GLN B 65 5.179 -2.691 -4.653 1.00 0.34 H new ATOM 0 HG2 GLN B 65 8.020 -1.706 -4.817 1.00 0.57 H new ATOM 0 HG3 GLN B 65 7.500 -2.959 -5.926 1.00 0.57 H new ATOM 0 HE21 GLN B 65 7.146 0.394 -4.957 1.00 0.80 H new ATOM 0 HE22 GLN B 65 6.215 0.917 -6.365 1.00 0.80 H new ATOM 2437 N ILE B 66 3.900 -1.060 -2.900 1.00 0.15 N ATOM 2438 CA ILE B 66 2.831 -0.068 -2.934 1.00 0.16 C ATOM 2439 C ILE B 66 3.018 0.952 -1.811 1.00 0.11 C ATOM 2440 O ILE B 66 2.890 2.158 -2.020 1.00 0.27 O ATOM 2441 CB ILE B 66 1.441 -0.735 -2.793 1.00 0.27 C ATOM 2442 CG1 ILE B 66 1.153 -1.628 -4.002 1.00 0.64 C ATOM 2443 CG2 ILE B 66 0.347 0.317 -2.634 1.00 0.89 C ATOM 2444 CD1 ILE B 66 -0.056 -2.522 -3.826 1.00 1.38 C ATOM 0 H ILE B 66 3.576 -2.021 -2.788 1.00 0.15 H new ATOM 0 HA ILE B 66 2.880 0.436 -3.899 1.00 0.16 H new ATOM 0 HB ILE B 66 1.449 -1.355 -1.896 1.00 0.27 H new ATOM 0 HG12 ILE B 66 1.004 -0.999 -4.879 1.00 0.64 H new ATOM 0 HG13 ILE B 66 2.027 -2.249 -4.200 1.00 0.64 H new ATOM 0 HG21 ILE B 66 -0.620 -0.176 -2.537 1.00 0.89 H new ATOM 0 HG22 ILE B 66 0.542 0.913 -1.742 1.00 0.89 H new ATOM 0 HG23 ILE B 66 0.337 0.967 -3.509 1.00 0.89 H new ATOM 0 HD11 ILE B 66 -0.197 -3.125 -4.723 1.00 1.38 H new ATOM 0 HD12 ILE B 66 0.098 -3.178 -2.969 1.00 1.38 H new ATOM 0 HD13 ILE B 66 -0.941 -1.908 -3.659 1.00 1.38 H new ATOM 2456 N ALA B 67 3.344 0.454 -0.624 1.00 0.16 N ATOM 2457 CA ALA B 67 3.552 1.309 0.534 1.00 0.13 C ATOM 2458 C ALA B 67 4.708 2.282 0.311 1.00 0.06 C ATOM 2459 O ALA B 67 4.602 3.459 0.640 1.00 0.09 O ATOM 2460 CB ALA B 67 3.810 0.466 1.774 1.00 0.16 C ATOM 0 H ALA B 67 3.470 -0.541 -0.440 1.00 0.16 H new ATOM 0 HA ALA B 67 2.644 1.894 0.681 1.00 0.13 H new ATOM 0 HB1 ALA B 67 3.964 1.120 2.633 1.00 0.16 H new ATOM 0 HB2 ALA B 67 2.952 -0.181 1.959 1.00 0.16 H new ATOM 0 HB3 ALA B 67 4.699 -0.146 1.620 1.00 0.16 H new ATOM 2466 N SER B 68 5.791 1.790 -0.277 1.00 0.08 N ATOM 2467 CA SER B 68 6.974 2.610 -0.525 1.00 0.06 C ATOM 2468 C SER B 68 6.679 3.781 -1.472 1.00 0.16 C ATOM 2469 O SER B 68 7.089 4.915 -1.218 1.00 0.21 O ATOM 2470 CB SER B 68 8.098 1.748 -1.105 1.00 0.06 C ATOM 2471 OG SER B 68 8.363 0.620 -0.285 1.00 0.28 O ATOM 0 H SER B 68 5.876 0.824 -0.593 1.00 0.08 H new ATOM 0 HA SER B 68 7.284 3.029 0.432 1.00 0.06 H new ATOM 0 HB2 SER B 68 7.823 1.415 -2.106 1.00 0.06 H new ATOM 0 HB3 SER B 68 9.003 2.347 -1.205 1.00 0.06 H new ATOM 0 HG SER B 68 7.601 0.005 -0.318 1.00 0.28 H new ATOM 2477 N GLU B 69 5.951 3.516 -2.551 1.00 0.26 N ATOM 2478 CA GLU B 69 5.649 4.560 -3.527 1.00 0.35 C ATOM 2479 C GLU B 69 4.549 5.514 -3.048 1.00 0.24 C ATOM 2480 O GLU B 69 4.396 6.605 -3.594 1.00 0.18 O ATOM 2481 CB GLU B 69 5.299 3.956 -4.900 1.00 0.52 C ATOM 2482 CG GLU B 69 4.009 3.144 -4.952 1.00 0.44 C ATOM 2483 CD GLU B 69 3.946 2.248 -6.179 1.00 1.20 C ATOM 2484 OE1 GLU B 69 4.998 2.022 -6.812 1.00 1.60 O1- ATOM 2485 OE2 GLU B 69 2.847 1.767 -6.526 1.00 1.71 O ATOM 0 H GLU B 69 5.562 2.599 -2.772 1.00 0.26 H new ATOM 0 HA GLU B 69 6.556 5.155 -3.637 1.00 0.35 H new ATOM 0 HB2 GLU B 69 5.227 4.766 -5.626 1.00 0.52 H new ATOM 0 HB3 GLU B 69 6.123 3.317 -5.217 1.00 0.52 H new ATOM 0 HG2 GLU B 69 3.929 2.533 -4.053 1.00 0.44 H new ATOM 0 HG3 GLU B 69 3.155 3.821 -4.954 1.00 0.44 H new ATOM 2492 N TYR B 70 3.805 5.123 -2.021 1.00 0.23 N ATOM 2493 CA TYR B 70 2.731 5.971 -1.503 1.00 0.15 C ATOM 2494 C TYR B 70 3.140 6.709 -0.224 1.00 0.08 C ATOM 2495 O TYR B 70 2.647 7.803 0.051 1.00 0.12 O ATOM 2496 CB TYR B 70 1.467 5.138 -1.267 1.00 0.24 C ATOM 2497 CG TYR B 70 0.589 4.981 -2.502 1.00 0.32 C ATOM 2498 CD1 TYR B 70 1.098 5.181 -3.786 1.00 0.57 C ATOM 2499 CD2 TYR B 70 -0.752 4.638 -2.381 1.00 0.75 C ATOM 2500 CE1 TYR B 70 0.294 5.050 -4.902 1.00 0.56 C ATOM 2501 CE2 TYR B 70 -1.560 4.499 -3.496 1.00 0.85 C ATOM 2502 CZ TYR B 70 -1.033 4.707 -4.755 1.00 0.50 C ATOM 2503 OH TYR B 70 -1.834 4.580 -5.866 1.00 0.59 O ATOM 0 H TYR B 70 3.921 4.235 -1.533 1.00 0.23 H new ATOM 0 HA TYR B 70 2.522 6.732 -2.255 1.00 0.15 H new ATOM 0 HB2 TYR B 70 1.757 4.149 -0.912 1.00 0.24 H new ATOM 0 HB3 TYR B 70 0.881 5.602 -0.474 1.00 0.24 H new ATOM 0 HD1 TYR B 70 2.139 5.443 -3.909 1.00 0.57 H new ATOM 0 HD2 TYR B 70 -1.171 4.477 -1.399 1.00 0.75 H new ATOM 0 HE1 TYR B 70 0.704 5.216 -5.887 1.00 0.56 H new ATOM 0 HE2 TYR B 70 -2.599 4.229 -3.382 1.00 0.85 H new ATOM 0 HH TYR B 70 -1.547 3.802 -6.389 1.00 0.59 H new ATOM 2513 N LEU B 71 4.040 6.117 0.549 1.00 0.09 N ATOM 2514 CA LEU B 71 4.513 6.733 1.792 1.00 0.17 C ATOM 2515 C LEU B 71 5.277 8.023 1.517 1.00 0.22 C ATOM 2516 O LEU B 71 5.123 9.013 2.234 1.00 0.26 O ATOM 2517 CB LEU B 71 5.394 5.763 2.584 1.00 0.24 C ATOM 2518 CG LEU B 71 4.673 5.074 3.753 1.00 0.27 C ATOM 2519 CD1 LEU B 71 5.406 3.817 4.207 1.00 0.32 C ATOM 2520 CD2 LEU B 71 4.514 6.036 4.920 1.00 0.32 C ATOM 0 H LEU B 71 4.460 5.211 0.342 1.00 0.09 H new ATOM 0 HA LEU B 71 3.633 6.975 2.388 1.00 0.17 H new ATOM 0 HB2 LEU B 71 5.776 5.000 1.906 1.00 0.24 H new ATOM 0 HB3 LEU B 71 6.256 6.306 2.972 1.00 0.24 H new ATOM 0 HG LEU B 71 3.687 4.775 3.398 1.00 0.27 H new ATOM 0 HD11 LEU B 71 4.865 3.359 5.035 1.00 0.32 H new ATOM 0 HD12 LEU B 71 5.466 3.111 3.378 1.00 0.32 H new ATOM 0 HD13 LEU B 71 6.412 4.080 4.533 1.00 0.32 H new ATOM 0 HD21 LEU B 71 4.001 5.532 5.740 1.00 0.32 H new ATOM 0 HD22 LEU B 71 5.497 6.367 5.255 1.00 0.32 H new ATOM 0 HD23 LEU B 71 3.929 6.900 4.603 1.00 0.32 H new ATOM 2532 N LYS B 72 6.094 8.016 0.474 1.00 0.23 N ATOM 2533 CA LYS B 72 6.869 9.198 0.112 1.00 0.27 C ATOM 2534 C LYS B 72 5.951 10.305 -0.411 1.00 0.24 C ATOM 2535 O LYS B 72 6.297 11.485 -0.370 1.00 0.29 O ATOM 2536 CB LYS B 72 7.943 8.852 -0.931 1.00 0.31 C ATOM 2537 CG LYS B 72 7.392 8.364 -2.264 1.00 0.38 C ATOM 2538 CD LYS B 72 8.511 8.042 -3.249 1.00 0.40 C ATOM 2539 CE LYS B 72 9.036 6.621 -3.072 1.00 0.52 C ATOM 2540 NZ LYS B 72 10.010 6.504 -1.954 1.00 0.58 N1+ ATOM 0 H LYS B 72 6.238 7.211 -0.135 1.00 0.23 H new ATOM 0 HA LYS B 72 7.371 9.560 1.009 1.00 0.27 H new ATOM 0 HB2 LYS B 72 8.558 9.734 -1.107 1.00 0.31 H new ATOM 0 HB3 LYS B 72 8.598 8.084 -0.519 1.00 0.31 H new ATOM 0 HG2 LYS B 72 6.781 7.476 -2.103 1.00 0.38 H new ATOM 0 HG3 LYS B 72 6.740 9.126 -2.690 1.00 0.38 H new ATOM 0 HD2 LYS B 72 8.145 8.169 -4.268 1.00 0.40 H new ATOM 0 HD3 LYS B 72 9.328 8.750 -3.113 1.00 0.40 H new ATOM 0 HE2 LYS B 72 8.198 5.948 -2.890 1.00 0.52 H new ATOM 0 HE3 LYS B 72 9.511 6.296 -3.998 1.00 0.52 H new ATOM 0 HZ1 LYS B 72 10.485 5.580 -2.003 1.00 0.58 H new ATOM 0 HZ2 LYS B 72 10.718 7.262 -2.030 1.00 0.58 H new ATOM 0 HZ3 LYS B 72 9.509 6.588 -1.047 1.00 0.58 H new ATOM 2554 N LEU B 73 4.767 9.914 -0.875 1.00 0.17 N ATOM 2555 CA LEU B 73 3.795 10.865 -1.405 1.00 0.14 C ATOM 2556 C LEU B 73 3.169 11.673 -0.269 1.00 0.11 C ATOM 2557 O LEU B 73 3.093 12.902 -0.336 1.00 0.09 O ATOM 2558 CB LEU B 73 2.708 10.118 -2.206 1.00 0.13 C ATOM 2559 CG LEU B 73 1.916 10.936 -3.249 1.00 0.12 C ATOM 2560 CD1 LEU B 73 0.971 11.926 -2.580 1.00 0.08 C ATOM 2561 CD2 LEU B 73 2.850 11.655 -4.214 1.00 0.15 C ATOM 0 H LEU B 73 4.457 8.942 -0.894 1.00 0.17 H new ATOM 0 HA LEU B 73 4.306 11.557 -2.075 1.00 0.14 H new ATOM 0 HB2 LEU B 73 3.182 9.282 -2.721 1.00 0.13 H new ATOM 0 HB3 LEU B 73 1.997 9.694 -1.497 1.00 0.13 H new ATOM 0 HG LEU B 73 1.314 10.231 -3.822 1.00 0.12 H new ATOM 0 HD11 LEU B 73 0.430 12.485 -3.343 1.00 0.08 H new ATOM 0 HD12 LEU B 73 0.261 11.385 -1.954 1.00 0.08 H new ATOM 0 HD13 LEU B 73 1.545 12.617 -1.963 1.00 0.08 H new ATOM 0 HD21 LEU B 73 2.262 12.222 -4.936 1.00 0.15 H new ATOM 0 HD22 LEU B 73 3.495 12.335 -3.657 1.00 0.15 H new ATOM 0 HD23 LEU B 73 3.463 10.923 -4.740 1.00 0.15 H new ATOM 2573 N LYS B 74 2.729 10.982 0.782 1.00 0.11 N ATOM 2574 CA LYS B 74 2.118 11.653 1.927 1.00 0.10 C ATOM 2575 C LYS B 74 3.157 12.499 2.653 1.00 0.13 C ATOM 2576 O LYS B 74 2.822 13.477 3.320 1.00 0.13 O ATOM 2577 CB LYS B 74 1.486 10.641 2.893 1.00 0.12 C ATOM 2578 CG LYS B 74 2.481 9.681 3.521 1.00 0.20 C ATOM 2579 CD LYS B 74 1.974 9.136 4.846 1.00 0.28 C ATOM 2580 CE LYS B 74 2.300 10.073 5.996 1.00 0.32 C ATOM 2581 NZ LYS B 74 3.642 9.806 6.581 1.00 0.43 N1+ ATOM 0 H LYS B 74 2.784 9.967 0.864 1.00 0.11 H new ATOM 0 HA LYS B 74 1.325 12.302 1.556 1.00 0.10 H new ATOM 0 HB2 LYS B 74 0.971 11.184 3.686 1.00 0.12 H new ATOM 0 HB3 LYS B 74 0.731 10.066 2.357 1.00 0.12 H new ATOM 0 HG2 LYS B 74 2.672 8.855 2.836 1.00 0.20 H new ATOM 0 HG3 LYS B 74 3.431 10.192 3.677 1.00 0.20 H new ATOM 0 HD2 LYS B 74 0.896 8.988 4.791 1.00 0.28 H new ATOM 0 HD3 LYS B 74 2.421 8.159 5.033 1.00 0.28 H new ATOM 0 HE2 LYS B 74 2.258 11.104 5.644 1.00 0.32 H new ATOM 0 HE3 LYS B 74 1.541 9.970 6.772 1.00 0.32 H new ATOM 0 HZ1 LYS B 74 3.532 9.349 7.509 1.00 0.43 H new ATOM 0 HZ2 LYS B 74 4.178 9.179 5.948 1.00 0.43 H new ATOM 0 HZ3 LYS B 74 4.155 10.703 6.696 1.00 0.43 H new ATOM 2595 N GLU B 75 4.420 12.117 2.506 1.00 0.17 N ATOM 2596 CA GLU B 75 5.507 12.846 3.135 1.00 0.20 C ATOM 2597 C GLU B 75 5.725 14.171 2.428 1.00 0.16 C ATOM 2598 O GLU B 75 5.776 15.220 3.070 1.00 0.20 O ATOM 2599 CB GLU B 75 6.797 12.030 3.136 1.00 0.27 C ATOM 2600 CG GLU B 75 7.362 11.843 4.530 1.00 0.36 C ATOM 2601 CD GLU B 75 6.368 11.190 5.471 1.00 0.45 C ATOM 2602 OE1 GLU B 75 5.554 11.909 6.083 1.00 0.44 O1- ATOM 2603 OE2 GLU B 75 6.388 9.947 5.598 1.00 0.55 O ATOM 0 H GLU B 75 4.713 11.308 1.958 1.00 0.17 H new ATOM 0 HA GLU B 75 5.230 13.035 4.172 1.00 0.20 H new ATOM 0 HB2 GLU B 75 6.606 11.054 2.690 1.00 0.27 H new ATOM 0 HB3 GLU B 75 7.538 12.527 2.510 1.00 0.27 H new ATOM 0 HG2 GLU B 75 8.263 11.232 4.476 1.00 0.36 H new ATOM 0 HG3 GLU B 75 7.658 12.812 4.933 1.00 0.36 H new ATOM 2610 N GLU B 76 5.845 14.115 1.102 1.00 0.13 N ATOM 2611 CA GLU B 76 6.032 15.320 0.294 1.00 0.11 C ATOM 2612 C GLU B 76 4.900 16.302 0.576 1.00 0.08 C ATOM 2613 O GLU B 76 5.116 17.514 0.685 1.00 0.08 O ATOM 2614 CB GLU B 76 6.063 14.963 -1.198 1.00 0.17 C ATOM 2615 CG GLU B 76 6.042 16.173 -2.130 1.00 0.18 C ATOM 2616 CD GLU B 76 7.382 16.884 -2.218 1.00 0.21 C ATOM 2617 OE1 GLU B 76 8.050 17.046 -1.178 1.00 0.20 O ATOM 2618 OE2 GLU B 76 7.773 17.288 -3.335 1.00 0.34 O1- ATOM 0 H GLU B 76 5.816 13.249 0.565 1.00 0.13 H new ATOM 0 HA GLU B 76 6.984 15.782 0.557 1.00 0.11 H new ATOM 0 HB2 GLU B 76 6.959 14.377 -1.402 1.00 0.17 H new ATOM 0 HB3 GLU B 76 5.207 14.327 -1.426 1.00 0.17 H new ATOM 0 HG2 GLU B 76 5.743 15.850 -3.127 1.00 0.18 H new ATOM 0 HG3 GLU B 76 5.286 16.878 -1.783 1.00 0.18 H new ATOM 2625 N TYR B 77 3.697 15.750 0.715 1.00 0.07 N ATOM 2626 CA TYR B 77 2.505 16.534 1.008 1.00 0.11 C ATOM 2627 C TYR B 77 2.715 17.366 2.268 1.00 0.13 C ATOM 2628 O TYR B 77 2.458 18.567 2.282 1.00 0.22 O ATOM 2629 CB TYR B 77 1.296 15.600 1.175 1.00 0.13 C ATOM 2630 CG TYR B 77 0.091 16.245 1.826 1.00 0.15 C ATOM 2631 CD1 TYR B 77 -0.655 17.201 1.153 1.00 0.12 C ATOM 2632 CD2 TYR B 77 -0.300 15.894 3.110 1.00 0.22 C ATOM 2633 CE1 TYR B 77 -1.758 17.792 1.741 1.00 0.14 C ATOM 2634 CE2 TYR B 77 -1.398 16.481 3.706 1.00 0.25 C ATOM 2635 CZ TYR B 77 -2.124 17.427 3.019 1.00 0.20 C ATOM 2636 OH TYR B 77 -3.221 18.011 3.610 1.00 0.23 O ATOM 0 H TYR B 77 3.524 14.749 0.627 1.00 0.07 H new ATOM 0 HA TYR B 77 2.313 17.213 0.177 1.00 0.11 H new ATOM 0 HB2 TYR B 77 1.005 15.223 0.194 1.00 0.13 H new ATOM 0 HB3 TYR B 77 1.598 14.739 1.771 1.00 0.13 H new ATOM 0 HD1 TYR B 77 -0.369 17.489 0.152 1.00 0.12 H new ATOM 0 HD2 TYR B 77 0.264 15.149 3.652 1.00 0.22 H new ATOM 0 HE1 TYR B 77 -2.329 18.534 1.203 1.00 0.14 H new ATOM 0 HE2 TYR B 77 -1.686 16.199 4.708 1.00 0.25 H new ATOM 0 HH TYR B 77 -3.904 17.329 3.777 1.00 0.23 H new ATOM 2646 N GLN B 78 3.225 16.724 3.306 1.00 0.22 N ATOM 2647 CA GLN B 78 3.458 17.387 4.581 1.00 0.30 C ATOM 2648 C GLN B 78 4.596 18.405 4.503 1.00 0.37 C ATOM 2649 O GLN B 78 4.588 19.407 5.222 1.00 0.84 O ATOM 2650 CB GLN B 78 3.772 16.347 5.656 1.00 0.28 C ATOM 2651 CG GLN B 78 2.561 15.539 6.091 1.00 0.17 C ATOM 2652 CD GLN B 78 1.498 16.407 6.736 1.00 0.26 C ATOM 2653 OE1 GLN B 78 1.801 17.429 7.355 1.00 0.53 O ATOM 2654 NE2 GLN B 78 0.246 16.004 6.610 1.00 0.24 N ATOM 0 H GLN B 78 3.487 15.738 3.291 1.00 0.22 H new ATOM 0 HA GLN B 78 2.548 17.929 4.838 1.00 0.30 H new ATOM 0 HB2 GLN B 78 4.536 15.667 5.280 1.00 0.28 H new ATOM 0 HB3 GLN B 78 4.194 16.851 6.526 1.00 0.28 H new ATOM 0 HG2 GLN B 78 2.136 15.029 5.226 1.00 0.17 H new ATOM 0 HG3 GLN B 78 2.874 14.767 6.794 1.00 0.17 H new ATOM 0 HE21 GLN B 78 0.034 15.152 6.090 1.00 0.24 H new ATOM 0 HE22 GLN B 78 -0.509 16.544 7.033 1.00 0.24 H new ATOM 2663 N ARG B 79 5.563 18.158 3.630 1.00 0.28 N ATOM 2664 CA ARG B 79 6.711 19.052 3.491 1.00 0.30 C ATOM 2665 C ARG B 79 6.323 20.377 2.843 1.00 0.27 C ATOM 2666 O ARG B 79 6.643 21.445 3.360 1.00 0.23 O ATOM 2667 CB ARG B 79 7.820 18.390 2.673 1.00 0.34 C ATOM 2668 CG ARG B 79 8.239 17.021 3.186 1.00 0.63 C ATOM 2669 CD ARG B 79 8.482 17.014 4.693 1.00 0.85 C ATOM 2670 NE ARG B 79 9.510 17.974 5.106 1.00 1.45 N ATOM 2671 CZ ARG B 79 10.813 17.830 4.858 1.00 1.28 C ATOM 2672 NH1 ARG B 79 11.251 16.778 4.176 1.00 0.73 N1+ ATOM 2673 NH2 ARG B 79 11.676 18.734 5.297 1.00 2.05 N ATOM 0 H ARG B 79 5.578 17.350 3.008 1.00 0.28 H new ATOM 0 HA ARG B 79 7.077 19.257 4.497 1.00 0.30 H new ATOM 0 HB2 ARG B 79 7.486 18.292 1.640 1.00 0.34 H new ATOM 0 HB3 ARG B 79 8.691 19.045 2.665 1.00 0.34 H new ATOM 0 HG2 ARG B 79 7.466 16.292 2.942 1.00 0.63 H new ATOM 0 HG3 ARG B 79 9.148 16.706 2.673 1.00 0.63 H new ATOM 0 HD2 ARG B 79 7.549 17.243 5.208 1.00 0.85 H new ATOM 0 HD3 ARG B 79 8.780 16.013 5.004 1.00 0.85 H new ATOM 0 HE ARG B 79 9.210 18.805 5.616 1.00 1.45 H new ATOM 0 HH11 ARG B 79 10.591 16.077 3.840 1.00 0.73 H new ATOM 0 HH12 ARG B 79 12.248 16.671 3.988 1.00 0.73 H new ATOM 0 HH21 ARG B 79 11.345 19.541 5.825 1.00 2.05 H new ATOM 0 HH22 ARG B 79 12.672 18.623 5.107 1.00 2.05 H new ATOM 2687 N LEU B 80 5.628 20.314 1.716 1.00 0.30 N ATOM 2688 CA LEU B 80 5.225 21.529 1.018 1.00 0.28 C ATOM 2689 C LEU B 80 4.191 22.313 1.825 1.00 0.23 C ATOM 2690 O LEU B 80 4.105 23.534 1.717 1.00 0.28 O ATOM 2691 CB LEU B 80 4.680 21.205 -0.374 1.00 0.31 C ATOM 2692 CG LEU B 80 3.301 20.534 -0.403 1.00 0.48 C ATOM 2693 CD1 LEU B 80 2.217 21.528 -0.802 1.00 0.79 C ATOM 2694 CD2 LEU B 80 3.305 19.347 -1.347 1.00 0.44 C ATOM 0 H LEU B 80 5.334 19.446 1.269 1.00 0.30 H new ATOM 0 HA LEU B 80 6.112 22.153 0.905 1.00 0.28 H new ATOM 0 HB2 LEU B 80 4.627 22.130 -0.949 1.00 0.31 H new ATOM 0 HB3 LEU B 80 5.392 20.554 -0.882 1.00 0.31 H new ATOM 0 HG LEU B 80 3.080 20.177 0.603 1.00 0.48 H new ATOM 0 HD11 LEU B 80 1.250 21.026 -0.815 1.00 0.79 H new ATOM 0 HD12 LEU B 80 2.192 22.347 -0.083 1.00 0.79 H new ATOM 0 HD13 LEU B 80 2.433 21.923 -1.794 1.00 0.79 H new ATOM 0 HD21 LEU B 80 2.318 18.884 -1.354 1.00 0.44 H new ATOM 0 HD22 LEU B 80 3.555 19.683 -2.353 1.00 0.44 H new ATOM 0 HD23 LEU B 80 4.045 18.619 -1.013 1.00 0.44 H new ATOM 2706 N ARG B 81 3.415 21.609 2.641 1.00 0.20 N ATOM 2707 CA ARG B 81 2.393 22.256 3.452 1.00 0.15 C ATOM 2708 C ARG B 81 3.015 22.961 4.654 1.00 0.15 C ATOM 2709 O ARG B 81 2.539 24.013 5.075 1.00 0.43 O ATOM 2710 CB ARG B 81 1.343 21.240 3.909 1.00 0.22 C ATOM 2711 CG ARG B 81 0.521 20.669 2.758 1.00 0.32 C ATOM 2712 CD ARG B 81 -0.853 21.308 2.663 1.00 0.65 C ATOM 2713 NE ARG B 81 -1.805 20.686 3.584 1.00 1.05 N ATOM 2714 CZ ARG B 81 -2.452 21.325 4.561 1.00 1.70 C ATOM 2715 NH1 ARG B 81 -2.238 22.616 4.792 1.00 2.04 N1+ ATOM 2716 NH2 ARG B 81 -3.321 20.660 5.309 1.00 2.12 N ATOM 0 H ARG B 81 3.474 20.597 2.758 1.00 0.20 H new ATOM 0 HA ARG B 81 1.900 23.008 2.836 1.00 0.15 H new ATOM 0 HB2 ARG B 81 1.840 20.423 4.432 1.00 0.22 H new ATOM 0 HB3 ARG B 81 0.673 21.716 4.625 1.00 0.22 H new ATOM 0 HG2 ARG B 81 1.056 20.821 1.821 1.00 0.32 H new ATOM 0 HG3 ARG B 81 0.411 19.593 2.891 1.00 0.32 H new ATOM 0 HD2 ARG B 81 -0.775 22.372 2.884 1.00 0.65 H new ATOM 0 HD3 ARG B 81 -1.225 21.221 1.642 1.00 0.65 H new ATOM 0 HE ARG B 81 -1.988 19.689 3.471 1.00 1.05 H new ATOM 0 HH11 ARG B 81 -1.571 23.133 4.219 1.00 2.04 H new ATOM 0 HH12 ARG B 81 -2.740 23.090 5.543 1.00 2.04 H new ATOM 0 HH21 ARG B 81 -3.490 19.669 5.135 1.00 2.12 H new ATOM 0 HH22 ARG B 81 -3.821 21.139 6.058 1.00 2.12 H new