USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=35 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: A 74 LYS NZ :NH3+ -161:sc= 1.25 (180deg=0.0364) USER MOD Set 1.2: B 70 TYR OH : rot 166:sc= 1 USER MOD Set 2.1: B 28 SER OG : rot -179:sc= -1.16 USER MOD Set 2.2: B 31 HIS : no HE2:sc= 0.981 K(o=-0.17,f=-5!) USER MOD Set 3.1: B 17 TYR OH : rot 180:sc= 0.815 USER MOD Set 3.2: B 47 SER OG : rot -154:sc= 0.932 USER MOD Set 4.1: A 17 TYR OH : rot 180:sc= 0.394 USER MOD Set 4.2: A 47 SER OG : rot -155:sc= 0.573 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0172 X(o=-0.017,f=-0.055) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.768 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.138 USER MOD Single : A 31 HIS : +bothHN:sc= 1.15 K(o=1.1,f=-8!) USER MOD Single : A 42 LYS NZ :NH3+ 164:sc= 1.14 (180deg=0.769) USER MOD Single : A 43 MET CE :methyl -167:sc= -0.0517 (180deg=-0.414) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0.905 K(o=0.9,f=-0.38) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -144:sc= 1.16 (180deg=-0.604) USER MOD Single : A 62 THR OG1 : rot -75:sc= 0.993 USER MOD Single : A 65 GLN : amide:sc= -0.277 K(o=-0.28,f=-2.1!) USER MOD Single : A 68 SER OG : rot -82:sc= 0.526 USER MOD Single : A 70 TYR OH : rot 37:sc= 0.776 USER MOD Single : A 72 LYS NZ :NH3+ 162:sc= 1.2 (180deg=0.791) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 SER OG : rot 44:sc= 0.0565 USER MOD Single : B 19 GLN : amide:sc= -0.808 K(o=-0.81,f=-1.7) USER MOD Single : B 21 TYR OH : rot 180:sc= -0.768 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD Single : B 43 MET CE :methyl -151:sc= -0.172 (180deg=-0.781) USER MOD Single : B 44 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : B 49 LYS NZ :NH3+ 169:sc= 1.58 (180deg=0.978) USER MOD Single : B 50 GLN : amide:sc= 0.981 K(o=0.98,f=-0.23) USER MOD Single : B 52 MET CE :methyl 165:sc= 0 (180deg=-0.214) USER MOD Single : B 57 LYS NZ :NH3+ 177:sc= 0.39 (180deg=0.386) USER MOD Single : B 62 THR OG1 : rot -54:sc= 0.787 USER MOD Single : B 65 GLN : amide:sc= -0.606 K(o=-0.61,f=-2.1) USER MOD Single : B 68 SER OG : rot 73:sc= 0.162 USER MOD Single : B 72 LYS NZ :NH3+ -160:sc= 1.27 (180deg=1.16) USER MOD Single : B 74 LYS NZ :NH3+ -162:sc= -0.0217 (180deg=-0.237) USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 138 N THR A 10 18.698 1.856 -5.980 1.00 0.30 N ATOM 139 CA THR A 10 19.300 0.771 -5.229 1.00 0.36 C ATOM 140 C THR A 10 18.231 -0.168 -4.664 1.00 0.30 C ATOM 141 O THR A 10 17.074 0.226 -4.473 1.00 0.27 O ATOM 142 CB THR A 10 20.191 1.329 -4.090 1.00 0.49 C ATOM 143 OG1 THR A 10 21.204 0.381 -3.737 1.00 0.62 O ATOM 144 CG2 THR A 10 19.376 1.684 -2.853 1.00 0.60 C ATOM 0 HA THR A 10 19.926 0.196 -5.911 1.00 0.36 H new ATOM 0 HB THR A 10 20.656 2.241 -4.464 1.00 0.49 H new ATOM 0 HG1 THR A 10 21.759 0.748 -3.018 1.00 0.62 H new ATOM 0 HG21 THR A 10 20.039 2.071 -2.079 1.00 0.60 H new ATOM 0 HG22 THR A 10 18.636 2.442 -3.110 1.00 0.60 H new ATOM 0 HG23 THR A 10 18.869 0.793 -2.483 1.00 0.60 H new ATOM 152 N ARG A 11 18.615 -1.415 -4.423 1.00 0.30 N ATOM 153 CA ARG A 11 17.701 -2.407 -3.881 1.00 0.26 C ATOM 154 C ARG A 11 18.076 -2.730 -2.443 1.00 0.21 C ATOM 155 O ARG A 11 19.248 -2.953 -2.132 1.00 0.22 O ATOM 156 CB ARG A 11 17.719 -3.680 -4.728 1.00 0.32 C ATOM 157 CG ARG A 11 17.171 -3.478 -6.132 1.00 0.40 C ATOM 158 CD ARG A 11 17.112 -4.785 -6.901 1.00 0.55 C ATOM 159 NE ARG A 11 16.681 -4.594 -8.285 1.00 0.68 N ATOM 160 CZ ARG A 11 16.253 -5.581 -9.071 1.00 1.07 C ATOM 161 NH1 ARG A 11 16.205 -6.824 -8.611 1.00 1.36 N1+ ATOM 162 NH2 ARG A 11 15.876 -5.330 -10.319 1.00 1.17 N ATOM 0 H ARG A 11 19.558 -1.763 -4.596 1.00 0.30 H new ATOM 0 HA ARG A 11 16.692 -1.995 -3.902 1.00 0.26 H new ATOM 0 HB2 ARG A 11 18.743 -4.049 -4.795 1.00 0.32 H new ATOM 0 HB3 ARG A 11 17.135 -4.451 -4.225 1.00 0.32 H new ATOM 0 HG2 ARG A 11 16.173 -3.043 -6.075 1.00 0.40 H new ATOM 0 HG3 ARG A 11 17.798 -2.767 -6.669 1.00 0.40 H new ATOM 0 HD2 ARG A 11 18.095 -5.255 -6.890 1.00 0.55 H new ATOM 0 HD3 ARG A 11 16.426 -5.468 -6.400 1.00 0.55 H new ATOM 0 HE ARG A 11 16.710 -3.650 -8.671 1.00 0.68 H new ATOM 0 HH11 ARG A 11 16.496 -7.025 -7.654 1.00 1.36 H new ATOM 0 HH12 ARG A 11 15.877 -7.579 -9.214 1.00 1.36 H new ATOM 0 HH21 ARG A 11 15.913 -4.377 -10.681 1.00 1.17 H new ATOM 0 HH22 ARG A 11 15.549 -6.090 -10.916 1.00 1.17 H new ATOM 176 N VAL A 12 17.082 -2.760 -1.573 1.00 0.16 N ATOM 177 CA VAL A 12 17.311 -3.036 -0.167 1.00 0.12 C ATOM 178 C VAL A 12 16.598 -4.313 0.267 1.00 0.14 C ATOM 179 O VAL A 12 15.481 -4.596 -0.170 1.00 0.18 O ATOM 180 CB VAL A 12 16.849 -1.848 0.718 1.00 0.09 C ATOM 181 CG1 VAL A 12 15.354 -1.592 0.562 1.00 0.08 C ATOM 182 CG2 VAL A 12 17.207 -2.085 2.177 1.00 0.12 C ATOM 0 H VAL A 12 16.105 -2.596 -1.817 1.00 0.16 H new ATOM 0 HA VAL A 12 18.384 -3.174 -0.034 1.00 0.12 H new ATOM 0 HB VAL A 12 17.378 -0.957 0.379 1.00 0.09 H new ATOM 0 HG11 VAL A 12 15.060 -0.754 1.194 1.00 0.08 H new ATOM 0 HG12 VAL A 12 15.132 -1.357 -0.479 1.00 0.08 H new ATOM 0 HG13 VAL A 12 14.799 -2.482 0.859 1.00 0.08 H new ATOM 0 HG21 VAL A 12 16.872 -1.238 2.776 1.00 0.12 H new ATOM 0 HG22 VAL A 12 16.718 -2.994 2.529 1.00 0.12 H new ATOM 0 HG23 VAL A 12 18.287 -2.193 2.274 1.00 0.12 H new ATOM 192 N SER A 13 17.267 -5.094 1.099 1.00 0.14 N ATOM 193 CA SER A 13 16.705 -6.330 1.610 1.00 0.17 C ATOM 194 C SER A 13 16.269 -6.129 3.056 1.00 0.12 C ATOM 195 O SER A 13 17.044 -5.629 3.877 1.00 0.15 O ATOM 196 CB SER A 13 17.740 -7.449 1.518 1.00 0.25 C ATOM 197 OG SER A 13 18.810 -7.075 0.660 1.00 0.56 O ATOM 0 H SER A 13 18.208 -4.890 1.436 1.00 0.14 H new ATOM 0 HA SER A 13 15.837 -6.610 1.012 1.00 0.17 H new ATOM 0 HB2 SER A 13 18.126 -7.676 2.512 1.00 0.25 H new ATOM 0 HB3 SER A 13 17.268 -8.358 1.144 1.00 0.25 H new ATOM 0 HG SER A 13 19.464 -7.804 0.615 1.00 0.56 H new ATOM 203 N VAL A 14 15.033 -6.492 3.361 1.00 0.06 N ATOM 204 CA VAL A 14 14.497 -6.346 4.712 1.00 0.08 C ATOM 205 C VAL A 14 13.688 -7.575 5.108 1.00 0.08 C ATOM 206 O VAL A 14 13.202 -8.312 4.249 1.00 0.12 O ATOM 207 CB VAL A 14 13.604 -5.088 4.839 1.00 0.09 C ATOM 208 CG1 VAL A 14 14.428 -3.883 5.275 1.00 0.10 C ATOM 209 CG2 VAL A 14 12.887 -4.801 3.525 1.00 0.09 C ATOM 0 H VAL A 14 14.377 -6.892 2.690 1.00 0.06 H new ATOM 0 HA VAL A 14 15.349 -6.238 5.383 1.00 0.08 H new ATOM 0 HB VAL A 14 12.852 -5.282 5.604 1.00 0.09 H new ATOM 0 HG11 VAL A 14 13.780 -3.010 5.358 1.00 0.10 H new ATOM 0 HG12 VAL A 14 14.887 -4.087 6.242 1.00 0.10 H new ATOM 0 HG13 VAL A 14 15.207 -3.688 4.537 1.00 0.10 H new ATOM 0 HG21 VAL A 14 12.265 -3.913 3.636 1.00 0.09 H new ATOM 0 HG22 VAL A 14 13.623 -4.632 2.738 1.00 0.09 H new ATOM 0 HG23 VAL A 14 12.260 -5.652 3.259 1.00 0.09 H new ATOM 219 N ARG A 15 13.546 -7.793 6.408 1.00 0.05 N ATOM 220 CA ARG A 15 12.801 -8.934 6.914 1.00 0.05 C ATOM 221 C ARG A 15 11.376 -8.534 7.299 1.00 0.04 C ATOM 222 O ARG A 15 11.166 -7.655 8.141 1.00 0.07 O ATOM 223 CB ARG A 15 13.520 -9.544 8.118 1.00 0.06 C ATOM 224 CG ARG A 15 12.754 -10.678 8.776 1.00 0.06 C ATOM 225 CD ARG A 15 13.539 -11.299 9.920 1.00 0.11 C ATOM 226 NE ARG A 15 14.610 -12.176 9.447 1.00 0.16 N ATOM 227 CZ ARG A 15 15.256 -13.046 10.224 1.00 0.20 C ATOM 228 NH1 ARG A 15 14.930 -13.172 11.506 1.00 0.20 N1+ ATOM 229 NH2 ARG A 15 16.219 -13.803 9.713 1.00 0.26 N ATOM 0 H ARG A 15 13.939 -7.192 7.132 1.00 0.05 H new ATOM 0 HA ARG A 15 12.742 -9.678 6.120 1.00 0.05 H new ATOM 0 HB2 ARG A 15 14.495 -9.913 7.799 1.00 0.06 H new ATOM 0 HB3 ARG A 15 13.701 -8.763 8.856 1.00 0.06 H new ATOM 0 HG2 ARG A 15 11.801 -10.304 9.150 1.00 0.06 H new ATOM 0 HG3 ARG A 15 12.527 -11.443 8.033 1.00 0.06 H new ATOM 0 HD2 ARG A 15 13.966 -10.508 10.536 1.00 0.11 H new ATOM 0 HD3 ARG A 15 12.861 -11.868 10.556 1.00 0.11 H new ATOM 0 HE ARG A 15 14.879 -12.119 8.465 1.00 0.16 H new ATOM 0 HH11 ARG A 15 14.182 -12.602 11.900 1.00 0.20 H new ATOM 0 HH12 ARG A 15 15.428 -13.839 12.096 1.00 0.20 H new ATOM 0 HH21 ARG A 15 16.464 -13.719 8.727 1.00 0.26 H new ATOM 0 HH22 ARG A 15 16.714 -14.469 10.307 1.00 0.26 H new ATOM 243 N ILE A 16 10.402 -9.181 6.673 1.00 0.03 N ATOM 244 CA ILE A 16 8.999 -8.915 6.942 1.00 0.04 C ATOM 245 C ILE A 16 8.309 -10.202 7.371 1.00 0.04 C ATOM 246 O ILE A 16 8.270 -11.169 6.610 1.00 0.04 O ATOM 247 CB ILE A 16 8.273 -8.339 5.707 1.00 0.05 C ATOM 248 CG1 ILE A 16 9.075 -7.178 5.112 1.00 0.08 C ATOM 249 CG2 ILE A 16 6.872 -7.876 6.091 1.00 0.06 C ATOM 250 CD1 ILE A 16 8.635 -6.781 3.719 1.00 0.07 C ATOM 0 H ILE A 16 10.563 -9.901 5.968 1.00 0.03 H new ATOM 0 HA ILE A 16 8.951 -8.172 7.738 1.00 0.04 H new ATOM 0 HB ILE A 16 8.188 -9.122 4.953 1.00 0.05 H new ATOM 0 HG12 ILE A 16 8.988 -6.314 5.770 1.00 0.08 H new ATOM 0 HG13 ILE A 16 10.129 -7.453 5.085 1.00 0.08 H new ATOM 0 HG21 ILE A 16 6.369 -7.472 5.213 1.00 0.06 H new ATOM 0 HG22 ILE A 16 6.303 -8.721 6.478 1.00 0.06 H new ATOM 0 HG23 ILE A 16 6.941 -7.104 6.857 1.00 0.06 H new ATOM 0 HD11 ILE A 16 9.249 -5.953 3.365 1.00 0.07 H new ATOM 0 HD12 ILE A 16 8.749 -7.631 3.046 1.00 0.07 H new ATOM 0 HD13 ILE A 16 7.590 -6.473 3.742 1.00 0.07 H new ATOM 262 N TYR A 17 7.804 -10.211 8.604 1.00 0.08 N ATOM 263 CA TYR A 17 7.114 -11.372 9.174 1.00 0.11 C ATOM 264 C TYR A 17 8.034 -12.593 9.239 1.00 0.19 C ATOM 265 O TYR A 17 7.571 -13.733 9.260 1.00 0.56 O ATOM 266 CB TYR A 17 5.852 -11.705 8.378 1.00 0.04 C ATOM 267 CG TYR A 17 4.626 -11.918 9.244 1.00 0.09 C ATOM 268 CD1 TYR A 17 4.210 -10.946 10.147 1.00 0.18 C ATOM 269 CD2 TYR A 17 3.880 -13.085 9.153 1.00 0.08 C ATOM 270 CE1 TYR A 17 3.087 -11.132 10.931 1.00 0.23 C ATOM 271 CE2 TYR A 17 2.755 -13.278 9.935 1.00 0.12 C ATOM 272 CZ TYR A 17 2.363 -12.296 10.821 1.00 0.20 C ATOM 273 OH TYR A 17 1.243 -12.483 11.599 1.00 0.25 O ATOM 0 H TYR A 17 7.861 -9.414 9.238 1.00 0.08 H new ATOM 0 HA TYR A 17 6.825 -11.109 10.192 1.00 0.11 H new ATOM 0 HB2 TYR A 17 5.653 -10.897 7.674 1.00 0.04 H new ATOM 0 HB3 TYR A 17 6.031 -12.604 7.789 1.00 0.04 H new ATOM 0 HD1 TYR A 17 4.774 -10.030 10.237 1.00 0.18 H new ATOM 0 HD2 TYR A 17 4.183 -13.856 8.460 1.00 0.08 H new ATOM 0 HE1 TYR A 17 2.779 -10.366 11.627 1.00 0.23 H new ATOM 0 HE2 TYR A 17 2.187 -14.193 9.852 1.00 0.12 H new ATOM 0 HH TYR A 17 0.847 -13.357 11.398 1.00 0.25 H new ATOM 283 N GLY A 18 9.339 -12.346 9.269 1.00 0.18 N ATOM 284 CA GLY A 18 10.300 -13.434 9.350 1.00 0.13 C ATOM 285 C GLY A 18 11.027 -13.721 8.046 1.00 0.05 C ATOM 286 O GLY A 18 12.171 -14.172 8.063 1.00 0.11 O ATOM 0 H GLY A 18 9.750 -11.413 9.239 1.00 0.18 H new ATOM 0 HA2 GLY A 18 11.036 -13.198 10.119 1.00 0.13 H new ATOM 0 HA3 GLY A 18 9.782 -14.338 9.671 1.00 0.13 H new ATOM 290 N GLN A 19 10.387 -13.450 6.919 1.00 0.05 N ATOM 291 CA GLN A 19 10.995 -13.720 5.615 1.00 0.10 C ATOM 292 C GLN A 19 11.749 -12.504 5.079 1.00 0.05 C ATOM 293 O GLN A 19 11.383 -11.363 5.360 1.00 0.08 O ATOM 294 CB GLN A 19 9.927 -14.159 4.612 1.00 0.19 C ATOM 295 CG GLN A 19 9.821 -15.670 4.434 1.00 0.14 C ATOM 296 CD GLN A 19 9.662 -16.420 5.742 1.00 0.49 C ATOM 297 OE1 GLN A 19 10.639 -16.877 6.335 1.00 0.68 O ATOM 298 NE2 GLN A 19 8.427 -16.557 6.195 1.00 0.67 N ATOM 0 H GLN A 19 9.452 -13.045 6.875 1.00 0.05 H new ATOM 0 HA GLN A 19 11.716 -14.526 5.750 1.00 0.10 H new ATOM 0 HB2 GLN A 19 8.960 -13.774 4.936 1.00 0.19 H new ATOM 0 HB3 GLN A 19 10.144 -13.705 3.645 1.00 0.19 H new ATOM 0 HG2 GLN A 19 8.971 -15.894 3.790 1.00 0.14 H new ATOM 0 HG3 GLN A 19 10.713 -16.032 3.922 1.00 0.14 H new ATOM 0 HE21 GLN A 19 7.645 -16.162 5.672 1.00 0.67 H new ATOM 0 HE22 GLN A 19 8.256 -17.057 7.067 1.00 0.67 H new ATOM 307 N ASP A 20 12.804 -12.762 4.313 1.00 0.12 N ATOM 308 CA ASP A 20 13.625 -11.702 3.727 1.00 0.10 C ATOM 309 C ASP A 20 13.102 -11.305 2.347 1.00 0.09 C ATOM 310 O ASP A 20 12.872 -12.161 1.491 1.00 0.10 O ATOM 311 CB ASP A 20 15.082 -12.165 3.625 1.00 0.17 C ATOM 312 CG ASP A 20 15.910 -11.329 2.666 1.00 0.39 C ATOM 313 OD1 ASP A 20 16.107 -10.129 2.930 1.00 0.55 O ATOM 314 OD2 ASP A 20 16.388 -11.881 1.652 1.00 0.49 O1- ATOM 0 H ASP A 20 13.115 -13.705 4.080 1.00 0.12 H new ATOM 0 HA ASP A 20 13.571 -10.828 4.376 1.00 0.10 H new ATOM 0 HB2 ASP A 20 15.538 -12.129 4.614 1.00 0.17 H new ATOM 0 HB3 ASP A 20 15.104 -13.206 3.301 1.00 0.17 H new ATOM 319 N TYR A 21 12.925 -10.007 2.134 1.00 0.07 N ATOM 320 CA TYR A 21 12.426 -9.498 0.863 1.00 0.07 C ATOM 321 C TYR A 21 13.287 -8.342 0.368 1.00 0.07 C ATOM 322 O TYR A 21 13.725 -7.502 1.153 1.00 0.16 O ATOM 323 CB TYR A 21 10.970 -9.046 1.007 1.00 0.05 C ATOM 324 CG TYR A 21 10.037 -10.161 1.419 1.00 0.07 C ATOM 325 CD1 TYR A 21 9.653 -11.139 0.514 1.00 0.05 C ATOM 326 CD2 TYR A 21 9.550 -10.241 2.717 1.00 0.15 C ATOM 327 CE1 TYR A 21 8.813 -12.167 0.889 1.00 0.08 C ATOM 328 CE2 TYR A 21 8.708 -11.263 3.101 1.00 0.17 C ATOM 329 CZ TYR A 21 8.343 -12.225 2.183 1.00 0.12 C ATOM 330 OH TYR A 21 7.503 -13.249 2.562 1.00 0.15 O ATOM 0 H TYR A 21 13.120 -9.285 2.828 1.00 0.07 H new ATOM 0 HA TYR A 21 12.476 -10.303 0.130 1.00 0.07 H new ATOM 0 HB2 TYR A 21 10.916 -8.245 1.745 1.00 0.05 H new ATOM 0 HB3 TYR A 21 10.631 -8.629 0.059 1.00 0.05 H new ATOM 0 HD1 TYR A 21 10.018 -11.095 -0.502 1.00 0.05 H new ATOM 0 HD2 TYR A 21 9.836 -9.490 3.438 1.00 0.15 H new ATOM 0 HE1 TYR A 21 8.525 -12.922 0.172 1.00 0.08 H new ATOM 0 HE2 TYR A 21 8.337 -11.310 4.114 1.00 0.17 H new ATOM 0 HH TYR A 21 7.264 -13.144 3.507 1.00 0.15 H new ATOM 340 N THR A 22 13.527 -8.308 -0.933 1.00 0.19 N ATOM 341 CA THR A 22 14.338 -7.261 -1.538 1.00 0.20 C ATOM 342 C THR A 22 13.512 -6.417 -2.508 1.00 0.21 C ATOM 343 O THR A 22 12.901 -6.951 -3.434 1.00 0.38 O ATOM 344 CB THR A 22 15.540 -7.860 -2.292 1.00 0.25 C ATOM 345 OG1 THR A 22 16.109 -8.933 -1.527 1.00 0.19 O ATOM 346 CG2 THR A 22 16.602 -6.804 -2.556 1.00 0.32 C ATOM 0 H THR A 22 13.170 -8.997 -1.595 1.00 0.19 H new ATOM 0 HA THR A 22 14.700 -6.627 -0.729 1.00 0.20 H new ATOM 0 HB THR A 22 15.185 -8.239 -3.250 1.00 0.25 H new ATOM 0 HG1 THR A 22 16.872 -9.312 -2.012 1.00 0.19 H new ATOM 0 HG21 THR A 22 17.439 -7.255 -3.089 1.00 0.32 H new ATOM 0 HG22 THR A 22 16.176 -6.003 -3.160 1.00 0.32 H new ATOM 0 HG23 THR A 22 16.953 -6.396 -1.608 1.00 0.32 H new ATOM 354 N ILE A 23 13.499 -5.104 -2.294 1.00 0.16 N ATOM 355 CA ILE A 23 12.752 -4.190 -3.155 1.00 0.16 C ATOM 356 C ILE A 23 13.594 -2.965 -3.489 1.00 0.15 C ATOM 357 O ILE A 23 14.722 -2.826 -3.013 1.00 0.13 O ATOM 358 CB ILE A 23 11.414 -3.708 -2.530 1.00 0.17 C ATOM 359 CG1 ILE A 23 11.659 -2.860 -1.260 1.00 0.05 C ATOM 360 CG2 ILE A 23 10.478 -4.883 -2.261 1.00 0.31 C ATOM 361 CD1 ILE A 23 11.785 -3.639 0.040 1.00 0.06 C ATOM 0 H ILE A 23 13.998 -4.648 -1.530 1.00 0.16 H new ATOM 0 HA ILE A 23 12.516 -4.759 -4.054 1.00 0.16 H new ATOM 0 HB ILE A 23 10.919 -3.061 -3.254 1.00 0.17 H new ATOM 0 HG12 ILE A 23 12.570 -2.279 -1.404 1.00 0.05 H new ATOM 0 HG13 ILE A 23 10.840 -2.148 -1.157 1.00 0.05 H new ATOM 0 HG21 ILE A 23 9.550 -4.516 -1.824 1.00 0.31 H new ATOM 0 HG22 ILE A 23 10.260 -5.396 -3.198 1.00 0.31 H new ATOM 0 HG23 ILE A 23 10.955 -5.577 -1.569 1.00 0.31 H new ATOM 0 HD11 ILE A 23 11.955 -2.946 0.864 1.00 0.06 H new ATOM 0 HD12 ILE A 23 10.867 -4.198 0.219 1.00 0.06 H new ATOM 0 HD13 ILE A 23 12.624 -4.331 -0.031 1.00 0.06 H new ATOM 373 N VAL A 24 13.048 -2.076 -4.303 1.00 0.16 N ATOM 374 CA VAL A 24 13.753 -0.865 -4.689 1.00 0.15 C ATOM 375 C VAL A 24 13.608 0.195 -3.599 1.00 0.15 C ATOM 376 O VAL A 24 12.496 0.587 -3.254 1.00 0.15 O ATOM 377 CB VAL A 24 13.220 -0.303 -6.022 1.00 0.17 C ATOM 378 CG1 VAL A 24 13.985 0.944 -6.433 1.00 0.17 C ATOM 379 CG2 VAL A 24 13.291 -1.358 -7.114 1.00 0.18 C ATOM 0 H VAL A 24 12.117 -2.171 -4.710 1.00 0.16 H new ATOM 0 HA VAL A 24 14.804 -1.121 -4.819 1.00 0.15 H new ATOM 0 HB VAL A 24 12.176 -0.026 -5.877 1.00 0.17 H new ATOM 0 HG11 VAL A 24 13.589 1.320 -7.376 1.00 0.17 H new ATOM 0 HG12 VAL A 24 13.876 1.708 -5.663 1.00 0.17 H new ATOM 0 HG13 VAL A 24 15.040 0.700 -6.554 1.00 0.17 H new ATOM 0 HG21 VAL A 24 12.910 -0.942 -8.047 1.00 0.18 H new ATOM 0 HG22 VAL A 24 14.326 -1.670 -7.252 1.00 0.18 H new ATOM 0 HG23 VAL A 24 12.687 -2.219 -6.828 1.00 0.18 H new ATOM 389 N GLY A 25 14.731 0.657 -3.064 1.00 0.14 N ATOM 390 CA GLY A 25 14.692 1.651 -2.010 1.00 0.13 C ATOM 391 C GLY A 25 15.313 2.969 -2.424 1.00 0.11 C ATOM 392 O GLY A 25 16.231 3.466 -1.767 1.00 0.08 O ATOM 0 H GLY A 25 15.667 0.361 -3.341 1.00 0.14 H new ATOM 0 HA2 GLY A 25 13.657 1.819 -1.714 1.00 0.13 H new ATOM 0 HA3 GLY A 25 15.216 1.267 -1.135 1.00 0.13 H new ATOM 396 N ALA A 26 14.804 3.548 -3.502 1.00 0.15 N ATOM 397 CA ALA A 26 15.312 4.817 -4.001 1.00 0.17 C ATOM 398 C ALA A 26 14.623 5.988 -3.302 1.00 0.12 C ATOM 399 O ALA A 26 14.023 6.851 -3.947 1.00 0.19 O ATOM 400 CB ALA A 26 15.124 4.903 -5.507 1.00 0.27 C ATOM 0 H ALA A 26 14.037 3.157 -4.049 1.00 0.15 H new ATOM 0 HA ALA A 26 16.378 4.874 -3.781 1.00 0.17 H new ATOM 0 HB1 ALA A 26 15.508 5.857 -5.868 1.00 0.27 H new ATOM 0 HB2 ALA A 26 15.665 4.089 -5.988 1.00 0.27 H new ATOM 0 HB3 ALA A 26 14.063 4.825 -5.746 1.00 0.27 H new ATOM 406 N GLU A 27 14.715 6.009 -1.978 1.00 0.11 N ATOM 407 CA GLU A 27 14.099 7.063 -1.189 1.00 0.05 C ATOM 408 C GLU A 27 15.039 7.514 -0.064 1.00 0.10 C ATOM 409 O GLU A 27 15.791 8.476 -0.229 1.00 0.20 O ATOM 410 CB GLU A 27 12.743 6.578 -0.646 1.00 0.11 C ATOM 411 CG GLU A 27 12.172 7.415 0.491 1.00 0.78 C ATOM 412 CD GLU A 27 11.660 8.775 0.056 1.00 1.22 C ATOM 413 OE1 GLU A 27 11.982 9.222 -1.066 1.00 1.58 O1- ATOM 414 OE2 GLU A 27 10.928 9.399 0.849 1.00 1.46 O ATOM 0 H GLU A 27 15.211 5.306 -1.430 1.00 0.11 H new ATOM 0 HA GLU A 27 13.918 7.932 -1.822 1.00 0.05 H new ATOM 0 HB2 GLU A 27 12.024 6.565 -1.465 1.00 0.11 H new ATOM 0 HB3 GLU A 27 12.853 5.550 -0.301 1.00 0.11 H new ATOM 0 HG2 GLU A 27 11.357 6.864 0.961 1.00 0.78 H new ATOM 0 HG3 GLU A 27 12.942 7.553 1.250 1.00 0.78 H new ATOM 421 N SER A 28 15.012 6.813 1.065 1.00 0.11 N ATOM 422 CA SER A 28 15.850 7.155 2.207 1.00 0.17 C ATOM 423 C SER A 28 16.035 5.926 3.093 1.00 0.18 C ATOM 424 O SER A 28 15.107 5.126 3.243 1.00 0.15 O ATOM 425 CB SER A 28 15.223 8.298 3.015 1.00 0.18 C ATOM 426 OG SER A 28 15.045 9.461 2.220 1.00 0.26 O ATOM 0 H SER A 28 14.414 6.000 1.213 1.00 0.11 H new ATOM 0 HA SER A 28 16.822 7.487 1.842 1.00 0.17 H new ATOM 0 HB2 SER A 28 14.260 7.978 3.414 1.00 0.18 H new ATOM 0 HB3 SER A 28 15.859 8.533 3.868 1.00 0.18 H new ATOM 0 HG SER A 28 14.642 10.170 2.763 1.00 0.26 H new ATOM 432 N PRO A 29 17.231 5.764 3.689 1.00 0.23 N ATOM 433 CA PRO A 29 17.563 4.622 4.554 1.00 0.26 C ATOM 434 C PRO A 29 16.527 4.373 5.654 1.00 0.28 C ATOM 435 O PRO A 29 16.125 3.235 5.887 1.00 0.34 O ATOM 436 CB PRO A 29 18.918 5.006 5.174 1.00 0.31 C ATOM 437 CG PRO A 29 19.138 6.442 4.821 1.00 0.31 C ATOM 438 CD PRO A 29 18.372 6.680 3.555 1.00 0.25 C ATOM 0 HA PRO A 29 17.586 3.695 3.982 1.00 0.26 H new ATOM 0 HB2 PRO A 29 18.906 4.867 6.255 1.00 0.31 H new ATOM 0 HB3 PRO A 29 19.719 4.380 4.781 1.00 0.31 H new ATOM 0 HG2 PRO A 29 18.787 7.098 5.618 1.00 0.31 H new ATOM 0 HG3 PRO A 29 20.198 6.651 4.680 1.00 0.31 H new ATOM 0 HD2 PRO A 29 18.050 7.717 3.466 1.00 0.25 H new ATOM 0 HD3 PRO A 29 18.970 6.455 2.672 1.00 0.25 H new ATOM 446 N ALA A 30 16.089 5.437 6.313 1.00 0.27 N ATOM 447 CA ALA A 30 15.112 5.313 7.387 1.00 0.30 C ATOM 448 C ALA A 30 13.733 4.938 6.851 1.00 0.18 C ATOM 449 O ALA A 30 13.034 4.112 7.434 1.00 0.15 O ATOM 450 CB ALA A 30 15.035 6.609 8.177 1.00 0.41 C ATOM 0 H ALA A 30 16.393 6.392 6.124 1.00 0.27 H new ATOM 0 HA ALA A 30 15.441 4.510 8.046 1.00 0.30 H new ATOM 0 HB1 ALA A 30 14.302 6.505 8.977 1.00 0.41 H new ATOM 0 HB2 ALA A 30 16.012 6.832 8.607 1.00 0.41 H new ATOM 0 HB3 ALA A 30 14.736 7.422 7.515 1.00 0.41 H new ATOM 456 N HIS A 31 13.360 5.539 5.730 1.00 0.13 N ATOM 457 CA HIS A 31 12.055 5.284 5.121 1.00 0.10 C ATOM 458 C HIS A 31 11.934 3.840 4.639 1.00 0.09 C ATOM 459 O HIS A 31 10.945 3.170 4.927 1.00 0.19 O ATOM 460 CB HIS A 31 11.789 6.245 3.950 1.00 0.21 C ATOM 461 CG HIS A 31 10.787 7.323 4.256 1.00 0.05 C ATOM 462 ND1 HIS A 31 10.459 8.327 3.366 1.00 0.28 N ATOM 463 CD2 HIS A 31 10.025 7.543 5.358 1.00 0.12 C ATOM 464 CE1 HIS A 31 9.548 9.110 3.905 1.00 0.41 C ATOM 465 NE2 HIS A 31 9.265 8.657 5.110 1.00 0.32 N ATOM 0 H HIS A 31 13.940 6.207 5.221 1.00 0.13 H new ATOM 0 HA HIS A 31 11.306 5.455 5.894 1.00 0.10 H new ATOM 0 HB2 HIS A 31 12.729 6.711 3.656 1.00 0.21 H new ATOM 0 HB3 HIS A 31 11.437 5.669 3.094 1.00 0.21 H new ATOM 0 HD1 HIS A 31 10.860 8.444 2.436 1.00 0.28 H new ATOM 0 HD2 HIS A 31 10.019 6.951 6.261 1.00 0.12 H new ATOM 0 HE1 HIS A 31 9.107 9.978 3.438 1.00 0.41 H new ATOM 0 HE2 HIS A 31 8.590 9.069 5.754 1.00 0.32 H new ATOM 474 N ILE A 32 12.950 3.362 3.934 1.00 0.08 N ATOM 475 CA ILE A 32 12.943 1.998 3.395 1.00 0.20 C ATOM 476 C ILE A 32 13.111 0.951 4.496 1.00 0.27 C ATOM 477 O ILE A 32 12.968 -0.246 4.256 1.00 0.36 O ATOM 478 CB ILE A 32 14.037 1.801 2.318 1.00 0.23 C ATOM 479 CG1 ILE A 32 15.445 1.901 2.934 1.00 0.25 C ATOM 480 CG2 ILE A 32 13.852 2.826 1.202 1.00 0.18 C ATOM 481 CD1 ILE A 32 16.571 1.662 1.950 1.00 0.30 C ATOM 0 H ILE A 32 13.793 3.895 3.719 1.00 0.08 H new ATOM 0 HA ILE A 32 11.967 1.858 2.930 1.00 0.20 H new ATOM 0 HB ILE A 32 13.937 0.801 1.896 1.00 0.23 H new ATOM 0 HG12 ILE A 32 15.567 2.890 3.375 1.00 0.25 H new ATOM 0 HG13 ILE A 32 15.527 1.178 3.745 1.00 0.25 H new ATOM 0 HG21 ILE A 32 14.624 2.684 0.446 1.00 0.18 H new ATOM 0 HG22 ILE A 32 12.870 2.695 0.747 1.00 0.18 H new ATOM 0 HG23 ILE A 32 13.929 3.832 1.615 1.00 0.18 H new ATOM 0 HD11 ILE A 32 17.528 1.751 2.464 1.00 0.30 H new ATOM 0 HD12 ILE A 32 16.478 0.662 1.526 1.00 0.30 H new ATOM 0 HD13 ILE A 32 16.519 2.401 1.151 1.00 0.30 H new ATOM 493 N ARG A 33 13.430 1.400 5.697 1.00 0.25 N ATOM 494 CA ARG A 33 13.579 0.490 6.822 1.00 0.32 C ATOM 495 C ARG A 33 12.293 0.452 7.636 1.00 0.34 C ATOM 496 O ARG A 33 12.010 -0.526 8.332 1.00 0.57 O ATOM 497 CB ARG A 33 14.756 0.907 7.701 1.00 0.34 C ATOM 498 CG ARG A 33 15.971 0.010 7.535 1.00 0.38 C ATOM 499 CD ARG A 33 17.228 0.676 8.059 1.00 0.37 C ATOM 500 NE ARG A 33 17.079 1.127 9.441 1.00 0.36 N ATOM 501 CZ ARG A 33 18.103 1.455 10.225 1.00 0.68 C ATOM 502 NH1 ARG A 33 19.346 1.359 9.772 1.00 1.01 N1+ ATOM 503 NH2 ARG A 33 17.881 1.871 11.466 1.00 0.84 N ATOM 0 H ARG A 33 13.590 2.383 5.919 1.00 0.25 H new ATOM 0 HA ARG A 33 13.781 -0.509 6.437 1.00 0.32 H new ATOM 0 HB2 ARG A 33 15.034 1.933 7.462 1.00 0.34 H new ATOM 0 HB3 ARG A 33 14.444 0.896 8.745 1.00 0.34 H new ATOM 0 HG2 ARG A 33 15.807 -0.928 8.065 1.00 0.38 H new ATOM 0 HG3 ARG A 33 16.101 -0.237 6.481 1.00 0.38 H new ATOM 0 HD2 ARG A 33 18.061 -0.024 7.995 1.00 0.37 H new ATOM 0 HD3 ARG A 33 17.477 1.527 7.426 1.00 0.37 H new ATOM 0 HE ARG A 33 16.137 1.194 9.826 1.00 0.36 H new ATOM 0 HH11 ARG A 33 19.518 1.033 8.821 1.00 1.01 H new ATOM 0 HH12 ARG A 33 20.129 1.611 10.375 1.00 1.01 H new ATOM 0 HH21 ARG A 33 16.926 1.939 11.818 1.00 0.84 H new ATOM 0 HH22 ARG A 33 18.665 2.123 12.068 1.00 0.84 H new ATOM 517 N LEU A 34 11.507 1.514 7.525 1.00 0.14 N ATOM 518 CA LEU A 34 10.248 1.615 8.243 1.00 0.15 C ATOM 519 C LEU A 34 9.132 0.896 7.486 1.00 0.16 C ATOM 520 O LEU A 34 8.205 0.360 8.095 1.00 0.17 O ATOM 521 CB LEU A 34 9.881 3.086 8.450 1.00 0.13 C ATOM 522 CG LEU A 34 8.519 3.336 9.099 1.00 0.07 C ATOM 523 CD1 LEU A 34 8.542 2.927 10.564 1.00 0.12 C ATOM 524 CD2 LEU A 34 8.123 4.799 8.961 1.00 0.04 C ATOM 0 H LEU A 34 11.723 2.321 6.940 1.00 0.14 H new ATOM 0 HA LEU A 34 10.366 1.136 9.215 1.00 0.15 H new ATOM 0 HB2 LEU A 34 10.650 3.552 9.067 1.00 0.13 H new ATOM 0 HB3 LEU A 34 9.901 3.588 7.483 1.00 0.13 H new ATOM 0 HG LEU A 34 7.776 2.727 8.583 1.00 0.07 H new ATOM 0 HD11 LEU A 34 7.564 3.112 11.009 1.00 0.12 H new ATOM 0 HD12 LEU A 34 8.781 1.866 10.642 1.00 0.12 H new ATOM 0 HD13 LEU A 34 9.297 3.509 11.092 1.00 0.12 H new ATOM 0 HD21 LEU A 34 7.151 4.959 9.428 1.00 0.04 H new ATOM 0 HD22 LEU A 34 8.869 5.425 9.451 1.00 0.04 H new ATOM 0 HD23 LEU A 34 8.065 5.062 7.905 1.00 0.04 H new ATOM 536 N VAL A 35 9.240 0.874 6.160 1.00 0.16 N ATOM 537 CA VAL A 35 8.240 0.224 5.312 1.00 0.16 C ATOM 538 C VAL A 35 8.075 -1.254 5.667 1.00 0.13 C ATOM 539 O VAL A 35 6.966 -1.792 5.642 1.00 0.12 O ATOM 540 CB VAL A 35 8.596 0.362 3.811 1.00 0.20 C ATOM 541 CG1 VAL A 35 8.545 1.816 3.382 1.00 0.18 C ATOM 542 CG2 VAL A 35 9.964 -0.228 3.512 1.00 0.25 C ATOM 0 H VAL A 35 10.012 1.300 5.647 1.00 0.16 H new ATOM 0 HA VAL A 35 7.294 0.733 5.497 1.00 0.16 H new ATOM 0 HB VAL A 35 7.855 -0.198 3.241 1.00 0.20 H new ATOM 0 HG11 VAL A 35 8.798 1.892 2.325 1.00 0.18 H new ATOM 0 HG12 VAL A 35 7.541 2.208 3.544 1.00 0.18 H new ATOM 0 HG13 VAL A 35 9.259 2.394 3.969 1.00 0.18 H new ATOM 0 HG21 VAL A 35 10.185 -0.116 2.450 1.00 0.25 H new ATOM 0 HG22 VAL A 35 10.721 0.294 4.097 1.00 0.25 H new ATOM 0 HG23 VAL A 35 9.969 -1.286 3.774 1.00 0.25 H new ATOM 552 N ALA A 36 9.179 -1.893 6.032 1.00 0.14 N ATOM 553 CA ALA A 36 9.164 -3.303 6.393 1.00 0.15 C ATOM 554 C ALA A 36 8.447 -3.518 7.716 1.00 0.12 C ATOM 555 O ALA A 36 7.782 -4.532 7.916 1.00 0.11 O ATOM 556 CB ALA A 36 10.582 -3.838 6.470 1.00 0.18 C ATOM 0 H ALA A 36 10.098 -1.455 6.086 1.00 0.14 H new ATOM 0 HA ALA A 36 8.621 -3.848 5.621 1.00 0.15 H new ATOM 0 HB1 ALA A 36 10.558 -4.894 6.741 1.00 0.18 H new ATOM 0 HB2 ALA A 36 11.067 -3.723 5.501 1.00 0.18 H new ATOM 0 HB3 ALA A 36 11.140 -3.282 7.224 1.00 0.18 H new ATOM 562 N ALA A 37 8.580 -2.553 8.610 1.00 0.13 N ATOM 563 CA ALA A 37 7.950 -2.634 9.919 1.00 0.11 C ATOM 564 C ALA A 37 6.470 -2.288 9.833 1.00 0.14 C ATOM 565 O ALA A 37 5.659 -2.795 10.607 1.00 0.20 O ATOM 566 CB ALA A 37 8.656 -1.714 10.900 1.00 0.13 C ATOM 0 H ALA A 37 9.120 -1.702 8.454 1.00 0.13 H new ATOM 0 HA ALA A 37 8.036 -3.660 10.277 1.00 0.11 H new ATOM 0 HB1 ALA A 37 8.175 -1.784 11.875 1.00 0.13 H new ATOM 0 HB2 ALA A 37 9.701 -2.010 10.989 1.00 0.13 H new ATOM 0 HB3 ALA A 37 8.599 -0.687 10.541 1.00 0.13 H new ATOM 572 N PHE A 38 6.127 -1.432 8.882 1.00 0.15 N ATOM 573 CA PHE A 38 4.744 -1.019 8.689 1.00 0.21 C ATOM 574 C PHE A 38 3.895 -2.201 8.229 1.00 0.21 C ATOM 575 O PHE A 38 2.826 -2.465 8.782 1.00 0.28 O ATOM 576 CB PHE A 38 4.665 0.129 7.679 1.00 0.26 C ATOM 577 CG PHE A 38 3.259 0.521 7.329 1.00 0.34 C ATOM 578 CD1 PHE A 38 2.417 1.060 8.290 1.00 0.41 C ATOM 579 CD2 PHE A 38 2.778 0.337 6.045 1.00 0.35 C ATOM 580 CE1 PHE A 38 1.122 1.412 7.973 1.00 0.50 C ATOM 581 CE2 PHE A 38 1.483 0.685 5.723 1.00 0.43 C ATOM 582 CZ PHE A 38 0.651 1.222 6.688 1.00 0.50 C ATOM 0 H PHE A 38 6.788 -1.009 8.231 1.00 0.15 H new ATOM 0 HA PHE A 38 4.351 -0.664 9.642 1.00 0.21 H new ATOM 0 HB2 PHE A 38 5.185 0.996 8.085 1.00 0.26 H new ATOM 0 HB3 PHE A 38 5.190 -0.161 6.769 1.00 0.26 H new ATOM 0 HD1 PHE A 38 2.779 1.206 9.297 1.00 0.41 H new ATOM 0 HD2 PHE A 38 3.423 -0.083 5.287 1.00 0.35 H new ATOM 0 HE1 PHE A 38 0.477 1.836 8.728 1.00 0.50 H new ATOM 0 HE2 PHE A 38 1.119 0.538 4.717 1.00 0.43 H new ATOM 0 HZ PHE A 38 -0.364 1.492 6.438 1.00 0.50 H new ATOM 592 N VAL A 39 4.380 -2.917 7.220 1.00 0.16 N ATOM 593 CA VAL A 39 3.654 -4.076 6.710 1.00 0.17 C ATOM 594 C VAL A 39 3.669 -5.199 7.738 1.00 0.16 C ATOM 595 O VAL A 39 2.684 -5.924 7.895 1.00 0.18 O ATOM 596 CB VAL A 39 4.247 -4.575 5.375 1.00 0.15 C ATOM 597 CG1 VAL A 39 3.527 -5.823 4.886 1.00 0.17 C ATOM 598 CG2 VAL A 39 4.175 -3.479 4.327 1.00 0.15 C ATOM 0 H VAL A 39 5.260 -2.720 6.744 1.00 0.16 H new ATOM 0 HA VAL A 39 2.625 -3.768 6.526 1.00 0.17 H new ATOM 0 HB VAL A 39 5.292 -4.835 5.545 1.00 0.15 H new ATOM 0 HG11 VAL A 39 3.967 -6.151 3.944 1.00 0.17 H new ATOM 0 HG12 VAL A 39 3.627 -6.615 5.628 1.00 0.17 H new ATOM 0 HG13 VAL A 39 2.471 -5.598 4.735 1.00 0.17 H new ATOM 0 HG21 VAL A 39 4.596 -3.843 3.390 1.00 0.15 H new ATOM 0 HG22 VAL A 39 3.135 -3.193 4.170 1.00 0.15 H new ATOM 0 HG23 VAL A 39 4.742 -2.613 4.667 1.00 0.15 H new ATOM 608 N ASP A 40 4.784 -5.310 8.452 1.00 0.12 N ATOM 609 CA ASP A 40 4.954 -6.325 9.491 1.00 0.11 C ATOM 610 C ASP A 40 3.849 -6.197 10.542 1.00 0.12 C ATOM 611 O ASP A 40 3.423 -7.188 11.136 1.00 0.13 O ATOM 612 CB ASP A 40 6.332 -6.173 10.141 1.00 0.09 C ATOM 613 CG ASP A 40 6.635 -7.240 11.174 1.00 0.09 C ATOM 614 OD1 ASP A 40 6.262 -7.049 12.353 1.00 1.03 O ATOM 615 OD2 ASP A 40 7.267 -8.263 10.823 1.00 1.14 O1- ATOM 0 H ASP A 40 5.594 -4.702 8.329 1.00 0.12 H new ATOM 0 HA ASP A 40 4.884 -7.314 9.039 1.00 0.11 H new ATOM 0 HB2 ASP A 40 7.096 -6.203 9.364 1.00 0.09 H new ATOM 0 HB3 ASP A 40 6.396 -5.193 10.613 1.00 0.09 H new ATOM 620 N ASP A 41 3.385 -4.967 10.751 1.00 0.12 N ATOM 621 CA ASP A 41 2.317 -4.691 11.709 1.00 0.13 C ATOM 622 C ASP A 41 0.953 -4.977 11.085 1.00 0.09 C ATOM 623 O ASP A 41 0.106 -5.631 11.693 1.00 0.07 O ATOM 624 CB ASP A 41 2.375 -3.233 12.182 1.00 0.16 C ATOM 625 CG ASP A 41 1.158 -2.828 13.001 1.00 0.13 C ATOM 626 OD1 ASP A 41 0.917 -3.440 14.064 1.00 0.12 O1- ATOM 627 OD2 ASP A 41 0.444 -1.886 12.592 1.00 0.22 O ATOM 0 H ASP A 41 3.735 -4.141 10.266 1.00 0.12 H new ATOM 0 HA ASP A 41 2.459 -5.345 12.570 1.00 0.13 H new ATOM 0 HB2 ASP A 41 3.274 -3.086 12.780 1.00 0.16 H new ATOM 0 HB3 ASP A 41 2.458 -2.578 11.315 1.00 0.16 H new ATOM 632 N LYS A 42 0.759 -4.503 9.857 1.00 0.10 N ATOM 633 CA LYS A 42 -0.502 -4.695 9.140 1.00 0.11 C ATOM 634 C LYS A 42 -0.837 -6.178 8.978 1.00 0.03 C ATOM 635 O LYS A 42 -1.970 -6.599 9.206 1.00 0.07 O ATOM 636 CB LYS A 42 -0.440 -4.026 7.764 1.00 0.19 C ATOM 637 CG LYS A 42 -0.854 -2.562 7.777 1.00 0.26 C ATOM 638 CD LYS A 42 -2.368 -2.405 7.780 1.00 0.28 C ATOM 639 CE LYS A 42 -2.773 -0.957 8.008 1.00 0.31 C ATOM 640 NZ LYS A 42 -4.232 -0.821 8.256 1.00 0.38 N1+ ATOM 0 H LYS A 42 1.462 -3.980 9.334 1.00 0.10 H new ATOM 0 HA LYS A 42 -1.290 -4.232 9.734 1.00 0.11 H new ATOM 0 HB2 LYS A 42 0.576 -4.104 7.377 1.00 0.19 H new ATOM 0 HB3 LYS A 42 -1.086 -4.571 7.075 1.00 0.19 H new ATOM 0 HG2 LYS A 42 -0.436 -2.073 8.657 1.00 0.26 H new ATOM 0 HG3 LYS A 42 -0.438 -2.058 6.905 1.00 0.26 H new ATOM 0 HD2 LYS A 42 -2.774 -2.753 6.830 1.00 0.28 H new ATOM 0 HD3 LYS A 42 -2.799 -3.033 8.560 1.00 0.28 H new ATOM 0 HE2 LYS A 42 -2.221 -0.556 8.858 1.00 0.31 H new ATOM 0 HE3 LYS A 42 -2.496 -0.361 7.138 1.00 0.31 H new ATOM 0 HZ1 LYS A 42 -4.428 0.113 8.668 1.00 0.38 H new ATOM 0 HZ2 LYS A 42 -4.747 -0.919 7.358 1.00 0.38 H new ATOM 0 HZ3 LYS A 42 -4.543 -1.563 8.916 1.00 0.38 H new ATOM 654 N MET A 43 0.154 -6.974 8.607 1.00 0.07 N ATOM 655 CA MET A 43 -0.064 -8.404 8.420 1.00 0.12 C ATOM 656 C MET A 43 -0.058 -9.136 9.758 1.00 0.16 C ATOM 657 O MET A 43 -0.267 -10.343 9.814 1.00 0.35 O ATOM 658 CB MET A 43 0.977 -8.998 7.465 1.00 0.18 C ATOM 659 CG MET A 43 2.395 -8.990 8.007 1.00 0.16 C ATOM 660 SD MET A 43 3.627 -9.302 6.729 1.00 0.26 S ATOM 661 CE MET A 43 3.035 -10.850 6.052 1.00 0.29 C ATOM 0 H MET A 43 1.108 -6.661 8.430 1.00 0.07 H new ATOM 0 HA MET A 43 -1.047 -8.537 7.969 1.00 0.12 H new ATOM 0 HB2 MET A 43 0.695 -10.025 7.231 1.00 0.18 H new ATOM 0 HB3 MET A 43 0.955 -8.440 6.529 1.00 0.18 H new ATOM 0 HG2 MET A 43 2.596 -8.025 8.473 1.00 0.16 H new ATOM 0 HG3 MET A 43 2.486 -9.746 8.787 1.00 0.16 H new ATOM 0 HE1 MET A 43 3.806 -11.288 5.418 1.00 0.29 H new ATOM 0 HE2 MET A 43 2.801 -11.537 6.865 1.00 0.29 H new ATOM 0 HE3 MET A 43 2.138 -10.669 5.460 1.00 0.29 H new ATOM 671 N HIS A 44 0.185 -8.398 10.833 1.00 0.02 N ATOM 672 CA HIS A 44 0.191 -8.975 12.171 1.00 0.04 C ATOM 673 C HIS A 44 -1.200 -8.864 12.789 1.00 0.05 C ATOM 674 O HIS A 44 -1.585 -9.675 13.629 1.00 0.20 O ATOM 675 CB HIS A 44 1.223 -8.268 13.052 1.00 0.08 C ATOM 676 CG HIS A 44 1.333 -8.828 14.436 1.00 0.11 C ATOM 677 ND1 HIS A 44 1.094 -8.080 15.566 1.00 0.27 N ATOM 678 CD2 HIS A 44 1.666 -10.067 14.873 1.00 0.29 C ATOM 679 CE1 HIS A 44 1.275 -8.828 16.635 1.00 0.38 C ATOM 680 NE2 HIS A 44 1.621 -10.038 16.244 1.00 0.40 N ATOM 0 H HIS A 44 0.381 -7.397 10.805 1.00 0.02 H new ATOM 0 HA HIS A 44 0.464 -10.028 12.100 1.00 0.04 H new ATOM 0 HB2 HIS A 44 2.198 -8.328 12.569 1.00 0.08 H new ATOM 0 HB3 HIS A 44 0.964 -7.211 13.119 1.00 0.08 H new ATOM 0 HD2 HIS A 44 1.919 -10.918 14.258 1.00 0.29 H new ATOM 0 HE1 HIS A 44 1.159 -8.504 17.659 1.00 0.38 H new ATOM 0 HE2 HIS A 44 1.823 -10.825 16.861 1.00 0.40 H new ATOM 689 N GLU A 45 -1.948 -7.857 12.361 1.00 0.16 N ATOM 690 CA GLU A 45 -3.295 -7.640 12.868 1.00 0.15 C ATOM 691 C GLU A 45 -4.328 -8.343 11.992 1.00 0.15 C ATOM 692 O GLU A 45 -5.426 -8.669 12.444 1.00 0.17 O ATOM 693 CB GLU A 45 -3.607 -6.139 12.965 1.00 0.12 C ATOM 694 CG GLU A 45 -3.369 -5.355 11.675 1.00 0.09 C ATOM 695 CD GLU A 45 -3.993 -3.976 11.702 1.00 0.12 C ATOM 696 OE1 GLU A 45 -5.201 -3.871 11.993 1.00 0.21 O1- ATOM 697 OE2 GLU A 45 -3.281 -2.985 11.434 1.00 0.16 O ATOM 0 H GLU A 45 -1.645 -7.177 11.664 1.00 0.16 H new ATOM 0 HA GLU A 45 -3.348 -8.068 13.869 1.00 0.15 H new ATOM 0 HB2 GLU A 45 -4.648 -6.016 13.262 1.00 0.12 H new ATOM 0 HB3 GLU A 45 -2.996 -5.705 13.757 1.00 0.12 H new ATOM 0 HG2 GLU A 45 -2.296 -5.260 11.506 1.00 0.09 H new ATOM 0 HG3 GLU A 45 -3.776 -5.916 10.834 1.00 0.09 H new ATOM 704 N PHE A 46 -3.963 -8.598 10.740 1.00 0.15 N ATOM 705 CA PHE A 46 -4.868 -9.257 9.807 1.00 0.14 C ATOM 706 C PHE A 46 -4.912 -10.763 10.040 1.00 0.16 C ATOM 707 O PHE A 46 -5.891 -11.424 9.689 1.00 0.17 O ATOM 708 CB PHE A 46 -4.482 -8.947 8.365 1.00 0.14 C ATOM 709 CG PHE A 46 -5.268 -7.804 7.793 1.00 0.15 C ATOM 710 CD1 PHE A 46 -6.586 -7.983 7.414 1.00 0.13 C ATOM 711 CD2 PHE A 46 -4.696 -6.553 7.644 1.00 0.18 C ATOM 712 CE1 PHE A 46 -7.319 -6.934 6.891 1.00 0.14 C ATOM 713 CE2 PHE A 46 -5.423 -5.503 7.120 1.00 0.19 C ATOM 714 CZ PHE A 46 -6.736 -5.694 6.746 1.00 0.17 C ATOM 0 H PHE A 46 -3.051 -8.360 10.350 1.00 0.15 H new ATOM 0 HA PHE A 46 -5.868 -8.864 9.988 1.00 0.14 H new ATOM 0 HB2 PHE A 46 -3.419 -8.711 8.319 1.00 0.14 H new ATOM 0 HB3 PHE A 46 -4.638 -9.834 7.752 1.00 0.14 H new ATOM 0 HD1 PHE A 46 -7.048 -8.953 7.528 1.00 0.13 H new ATOM 0 HD2 PHE A 46 -3.670 -6.396 7.941 1.00 0.18 H new ATOM 0 HE1 PHE A 46 -8.347 -7.086 6.597 1.00 0.14 H new ATOM 0 HE2 PHE A 46 -4.963 -4.533 7.003 1.00 0.19 H new ATOM 0 HZ PHE A 46 -7.307 -4.872 6.340 1.00 0.17 H new ATOM 724 N SER A 47 -3.861 -11.301 10.643 1.00 0.21 N ATOM 725 CA SER A 47 -3.798 -12.724 10.953 1.00 0.23 C ATOM 726 C SER A 47 -4.817 -13.072 12.037 1.00 0.21 C ATOM 727 O SER A 47 -5.074 -14.241 12.323 1.00 0.32 O ATOM 728 CB SER A 47 -2.383 -13.083 11.403 1.00 0.25 C ATOM 729 OG SER A 47 -1.713 -11.933 11.894 1.00 0.76 O ATOM 0 H SER A 47 -3.037 -10.772 10.928 1.00 0.21 H new ATOM 0 HA SER A 47 -4.041 -13.302 10.062 1.00 0.23 H new ATOM 0 HB2 SER A 47 -2.424 -13.847 12.180 1.00 0.25 H new ATOM 0 HB3 SER A 47 -1.826 -13.507 10.568 1.00 0.25 H new ATOM 0 HG SER A 47 -0.745 -12.056 11.806 1.00 0.76 H new ATOM 735 N GLU A 48 -5.388 -12.031 12.626 1.00 0.09 N ATOM 736 CA GLU A 48 -6.390 -12.169 13.664 1.00 0.08 C ATOM 737 C GLU A 48 -7.780 -12.278 13.038 1.00 0.10 C ATOM 738 O GLU A 48 -8.724 -12.766 13.662 1.00 0.07 O ATOM 739 CB GLU A 48 -6.304 -10.958 14.596 1.00 0.11 C ATOM 740 CG GLU A 48 -7.155 -11.074 15.845 1.00 0.06 C ATOM 741 CD GLU A 48 -6.858 -12.323 16.650 1.00 0.28 C ATOM 742 OE1 GLU A 48 -5.729 -12.849 16.568 1.00 0.61 O ATOM 743 OE2 GLU A 48 -7.757 -12.781 17.382 1.00 0.49 O1- ATOM 0 H GLU A 48 -5.165 -11.063 12.393 1.00 0.09 H new ATOM 0 HA GLU A 48 -6.210 -13.077 14.240 1.00 0.08 H new ATOM 0 HB2 GLU A 48 -5.265 -10.813 14.890 1.00 0.11 H new ATOM 0 HB3 GLU A 48 -6.606 -10.067 14.045 1.00 0.11 H new ATOM 0 HG2 GLU A 48 -6.992 -10.197 16.472 1.00 0.06 H new ATOM 0 HG3 GLU A 48 -8.208 -11.072 15.562 1.00 0.06 H new ATOM 750 N LYS A 49 -7.891 -11.824 11.793 1.00 0.14 N ATOM 751 CA LYS A 49 -9.154 -11.868 11.067 1.00 0.18 C ATOM 752 C LYS A 49 -9.443 -13.285 10.581 1.00 0.27 C ATOM 753 O LYS A 49 -10.532 -13.819 10.806 1.00 0.38 O ATOM 754 CB LYS A 49 -9.118 -10.912 9.867 1.00 0.12 C ATOM 755 CG LYS A 49 -9.114 -9.437 10.237 1.00 0.20 C ATOM 756 CD LYS A 49 -10.511 -8.935 10.572 1.00 0.43 C ATOM 757 CE LYS A 49 -10.589 -7.416 10.533 1.00 0.64 C ATOM 758 NZ LYS A 49 -9.865 -6.787 11.668 1.00 0.88 N1+ ATOM 0 H LYS A 49 -7.117 -11.420 11.265 1.00 0.14 H new ATOM 0 HA LYS A 49 -9.946 -11.556 11.748 1.00 0.18 H new ATOM 0 HB2 LYS A 49 -8.230 -11.127 9.273 1.00 0.12 H new ATOM 0 HB3 LYS A 49 -9.981 -11.112 9.233 1.00 0.12 H new ATOM 0 HG2 LYS A 49 -8.456 -9.278 11.091 1.00 0.20 H new ATOM 0 HG3 LYS A 49 -8.708 -8.856 9.409 1.00 0.20 H new ATOM 0 HD2 LYS A 49 -11.227 -9.354 9.865 1.00 0.43 H new ATOM 0 HD3 LYS A 49 -10.797 -9.288 11.563 1.00 0.43 H new ATOM 0 HE2 LYS A 49 -10.170 -7.056 9.593 1.00 0.64 H new ATOM 0 HE3 LYS A 49 -11.634 -7.107 10.555 1.00 0.64 H new ATOM 0 HZ1 LYS A 49 -9.945 -5.752 11.600 1.00 0.88 H new ATOM 0 HZ2 LYS A 49 -10.280 -7.108 12.566 1.00 0.88 H new ATOM 0 HZ3 LYS A 49 -8.862 -7.059 11.634 1.00 0.88 H new ATOM 772 N GLN A 50 -8.446 -13.880 9.919 1.00 0.30 N ATOM 773 CA GLN A 50 -8.551 -15.237 9.375 1.00 0.41 C ATOM 774 C GLN A 50 -9.741 -15.374 8.422 1.00 0.29 C ATOM 775 O GLN A 50 -10.668 -16.138 8.690 1.00 0.47 O ATOM 776 CB GLN A 50 -8.672 -16.260 10.506 1.00 0.63 C ATOM 777 CG GLN A 50 -7.418 -16.387 11.352 1.00 0.78 C ATOM 778 CD GLN A 50 -7.727 -16.505 12.830 1.00 0.93 C ATOM 779 OE1 GLN A 50 -8.756 -17.057 13.223 1.00 0.94 O ATOM 780 NE2 GLN A 50 -6.844 -15.975 13.658 1.00 1.07 N ATOM 0 H GLN A 50 -7.545 -13.435 9.745 1.00 0.30 H new ATOM 0 HA GLN A 50 -7.640 -15.432 8.809 1.00 0.41 H new ATOM 0 HB2 GLN A 50 -9.506 -15.980 11.149 1.00 0.63 H new ATOM 0 HB3 GLN A 50 -8.911 -17.234 10.079 1.00 0.63 H new ATOM 0 HG2 GLN A 50 -6.854 -17.262 11.031 1.00 0.78 H new ATOM 0 HG3 GLN A 50 -6.781 -15.518 11.185 1.00 0.78 H new ATOM 0 HE21 GLN A 50 -6.005 -15.527 13.290 1.00 1.07 H new ATOM 0 HE22 GLN A 50 -7.002 -16.014 14.665 1.00 1.07 H new ATOM 789 N PRO A 51 -9.734 -14.642 7.293 1.00 0.11 N ATOM 790 CA PRO A 51 -10.833 -14.701 6.328 1.00 0.09 C ATOM 791 C PRO A 51 -10.900 -16.035 5.581 1.00 0.05 C ATOM 792 O PRO A 51 -11.968 -16.632 5.466 1.00 0.20 O ATOM 793 CB PRO A 51 -10.536 -13.550 5.362 1.00 0.32 C ATOM 794 CG PRO A 51 -9.074 -13.290 5.491 1.00 0.44 C ATOM 795 CD PRO A 51 -8.679 -13.698 6.884 1.00 0.34 C ATOM 0 HA PRO A 51 -11.801 -14.615 6.822 1.00 0.09 H new ATOM 0 HB2 PRO A 51 -10.798 -13.819 4.339 1.00 0.32 H new ATOM 0 HB3 PRO A 51 -11.116 -12.663 5.617 1.00 0.32 H new ATOM 0 HG2 PRO A 51 -8.514 -13.858 4.749 1.00 0.44 H new ATOM 0 HG3 PRO A 51 -8.852 -12.237 5.320 1.00 0.44 H new ATOM 0 HD2 PRO A 51 -7.696 -14.168 6.898 1.00 0.34 H new ATOM 0 HD3 PRO A 51 -8.631 -12.839 7.553 1.00 0.34 H new ATOM 803 N MET A 52 -9.762 -16.499 5.071 1.00 0.10 N ATOM 804 CA MET A 52 -9.722 -17.758 4.332 1.00 0.14 C ATOM 805 C MET A 52 -8.735 -18.746 4.947 1.00 0.14 C ATOM 806 O MET A 52 -8.535 -19.832 4.401 1.00 0.16 O ATOM 807 CB MET A 52 -9.324 -17.516 2.872 1.00 0.25 C ATOM 808 CG MET A 52 -10.119 -16.425 2.176 1.00 0.17 C ATOM 809 SD MET A 52 -9.278 -14.829 2.208 1.00 0.22 S ATOM 810 CE MET A 52 -10.388 -13.854 1.195 1.00 1.11 C ATOM 0 H MET A 52 -8.862 -16.027 5.155 1.00 0.10 H new ATOM 0 HA MET A 52 -10.725 -18.183 4.382 1.00 0.14 H new ATOM 0 HB2 MET A 52 -8.266 -17.257 2.835 1.00 0.25 H new ATOM 0 HB3 MET A 52 -9.444 -18.446 2.317 1.00 0.25 H new ATOM 0 HG2 MET A 52 -10.300 -16.716 1.141 1.00 0.17 H new ATOM 0 HG3 MET A 52 -11.093 -16.328 2.655 1.00 0.17 H new ATOM 0 HE1 MET A 52 -10.008 -12.835 1.116 1.00 1.11 H new ATOM 0 HE2 MET A 52 -10.455 -14.295 0.200 1.00 1.11 H new ATOM 0 HE3 MET A 52 -11.378 -13.838 1.652 1.00 1.11 H new ATOM 820 N LEU A 53 -8.124 -18.372 6.077 1.00 0.15 N ATOM 821 CA LEU A 53 -7.134 -19.224 6.747 1.00 0.17 C ATOM 822 C LEU A 53 -5.994 -19.569 5.788 1.00 0.20 C ATOM 823 O LEU A 53 -5.435 -20.668 5.821 1.00 0.41 O ATOM 824 CB LEU A 53 -7.788 -20.507 7.276 1.00 0.19 C ATOM 825 CG LEU A 53 -8.754 -20.315 8.447 1.00 0.36 C ATOM 826 CD1 LEU A 53 -9.629 -21.545 8.617 1.00 0.31 C ATOM 827 CD2 LEU A 53 -7.988 -20.029 9.730 1.00 0.51 C ATOM 0 H LEU A 53 -8.298 -17.484 6.547 1.00 0.15 H new ATOM 0 HA LEU A 53 -6.727 -18.672 7.594 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -8.326 -20.985 6.457 1.00 0.19 H new ATOM 0 HB3 LEU A 53 -7.001 -21.195 7.585 1.00 0.19 H new ATOM 0 HG LEU A 53 -9.394 -19.460 8.230 1.00 0.36 H new ATOM 0 HD11 LEU A 53 -10.311 -21.394 9.454 1.00 0.31 H new ATOM 0 HD12 LEU A 53 -10.204 -21.711 7.706 1.00 0.31 H new ATOM 0 HD13 LEU A 53 -9.001 -22.414 8.813 1.00 0.31 H new ATOM 0 HD21 LEU A 53 -8.692 -19.895 10.552 1.00 0.51 H new ATOM 0 HD22 LEU A 53 -7.325 -20.865 9.952 1.00 0.51 H new ATOM 0 HD23 LEU A 53 -7.398 -19.121 9.607 1.00 0.51 H new ATOM 839 N ASP A 54 -5.659 -18.613 4.937 1.00 0.04 N ATOM 840 CA ASP A 54 -4.606 -18.787 3.951 1.00 0.08 C ATOM 841 C ASP A 54 -3.613 -17.631 4.028 1.00 0.06 C ATOM 842 O ASP A 54 -4.014 -16.467 4.084 1.00 0.07 O ATOM 843 CB ASP A 54 -5.223 -18.877 2.553 1.00 0.12 C ATOM 844 CG ASP A 54 -4.188 -19.040 1.467 1.00 0.14 C ATOM 845 OD1 ASP A 54 -3.552 -20.112 1.404 1.00 0.47 O1- ATOM 846 OD2 ASP A 54 -4.015 -18.102 0.662 1.00 0.21 O ATOM 0 H ASP A 54 -6.108 -17.697 4.910 1.00 0.04 H new ATOM 0 HA ASP A 54 -4.067 -19.711 4.159 1.00 0.08 H new ATOM 0 HB2 ASP A 54 -5.914 -19.719 2.519 1.00 0.12 H new ATOM 0 HB3 ASP A 54 -5.807 -17.977 2.360 1.00 0.12 H new ATOM 851 N VAL A 55 -2.323 -17.957 4.048 1.00 0.06 N ATOM 852 CA VAL A 55 -1.272 -16.944 4.136 1.00 0.07 C ATOM 853 C VAL A 55 -1.181 -16.085 2.861 1.00 0.06 C ATOM 854 O VAL A 55 -1.200 -14.857 2.958 1.00 0.06 O ATOM 855 CB VAL A 55 0.109 -17.565 4.462 1.00 0.09 C ATOM 856 CG1 VAL A 55 1.176 -16.483 4.568 1.00 0.08 C ATOM 857 CG2 VAL A 55 0.036 -18.378 5.746 1.00 0.13 C ATOM 0 H VAL A 55 -1.979 -18.916 4.004 1.00 0.06 H new ATOM 0 HA VAL A 55 -1.555 -16.291 4.962 1.00 0.07 H new ATOM 0 HB VAL A 55 0.386 -18.234 3.647 1.00 0.09 H new ATOM 0 HG11 VAL A 55 2.138 -16.942 4.798 1.00 0.08 H new ATOM 0 HG12 VAL A 55 1.246 -15.947 3.621 1.00 0.08 H new ATOM 0 HG13 VAL A 55 0.909 -15.785 5.361 1.00 0.08 H new ATOM 0 HG21 VAL A 55 1.015 -18.808 5.961 1.00 0.13 H new ATOM 0 HG22 VAL A 55 -0.265 -17.731 6.570 1.00 0.13 H new ATOM 0 HG23 VAL A 55 -0.694 -19.179 5.629 1.00 0.13 H new ATOM 867 N PRO A 56 -1.073 -16.689 1.653 1.00 0.05 N ATOM 868 CA PRO A 56 -1.000 -15.921 0.402 1.00 0.04 C ATOM 869 C PRO A 56 -2.133 -14.903 0.274 1.00 0.04 C ATOM 870 O PRO A 56 -1.904 -13.746 -0.075 1.00 0.04 O ATOM 871 CB PRO A 56 -1.122 -16.986 -0.687 1.00 0.05 C ATOM 872 CG PRO A 56 -0.614 -18.231 -0.054 1.00 0.06 C ATOM 873 CD PRO A 56 -0.979 -18.144 1.401 1.00 0.06 C ATOM 0 HA PRO A 56 -0.081 -15.337 0.344 1.00 0.04 H new ATOM 0 HB2 PRO A 56 -2.155 -17.101 -1.015 1.00 0.05 H new ATOM 0 HB3 PRO A 56 -0.536 -16.722 -1.567 1.00 0.05 H new ATOM 0 HG2 PRO A 56 -1.061 -19.112 -0.515 1.00 0.06 H new ATOM 0 HG3 PRO A 56 0.465 -18.319 -0.180 1.00 0.06 H new ATOM 0 HD2 PRO A 56 -1.923 -18.648 1.608 1.00 0.06 H new ATOM 0 HD3 PRO A 56 -0.223 -18.612 2.032 1.00 0.06 H new ATOM 881 N LYS A 57 -3.351 -15.344 0.570 1.00 0.05 N ATOM 882 CA LYS A 57 -4.528 -14.478 0.496 1.00 0.05 C ATOM 883 C LYS A 57 -4.433 -13.342 1.512 1.00 0.06 C ATOM 884 O LYS A 57 -4.851 -12.216 1.240 1.00 0.08 O ATOM 885 CB LYS A 57 -5.805 -15.295 0.736 1.00 0.06 C ATOM 886 CG LYS A 57 -6.412 -15.919 -0.523 1.00 0.09 C ATOM 887 CD LYS A 57 -5.363 -16.256 -1.578 1.00 0.11 C ATOM 888 CE LYS A 57 -5.710 -17.526 -2.336 1.00 0.12 C ATOM 889 NZ LYS A 57 -5.344 -18.743 -1.566 1.00 0.10 N1+ ATOM 0 H LYS A 57 -3.552 -16.300 0.865 1.00 0.05 H new ATOM 0 HA LYS A 57 -4.568 -14.043 -0.503 1.00 0.05 H new ATOM 0 HB2 LYS A 57 -5.583 -16.090 1.448 1.00 0.06 H new ATOM 0 HB3 LYS A 57 -6.551 -14.650 1.201 1.00 0.06 H new ATOM 0 HG2 LYS A 57 -6.951 -16.826 -0.250 1.00 0.09 H new ATOM 0 HG3 LYS A 57 -7.142 -15.230 -0.949 1.00 0.09 H new ATOM 0 HD2 LYS A 57 -5.275 -15.427 -2.280 1.00 0.11 H new ATOM 0 HD3 LYS A 57 -4.391 -16.373 -1.099 1.00 0.11 H new ATOM 0 HE2 LYS A 57 -6.778 -17.540 -2.553 1.00 0.12 H new ATOM 0 HE3 LYS A 57 -5.190 -17.532 -3.294 1.00 0.12 H new ATOM 0 HZ1 LYS A 57 -5.009 -19.480 -2.219 1.00 0.10 H new ATOM 0 HZ2 LYS A 57 -4.589 -18.512 -0.889 1.00 0.10 H new ATOM 0 HZ3 LYS A 57 -6.177 -19.091 -1.050 1.00 0.10 H new ATOM 903 N LEU A 58 -3.863 -13.641 2.674 1.00 0.05 N ATOM 904 CA LEU A 58 -3.699 -12.651 3.734 1.00 0.06 C ATOM 905 C LEU A 58 -2.753 -11.543 3.284 1.00 0.06 C ATOM 906 O LEU A 58 -2.924 -10.377 3.646 1.00 0.08 O ATOM 907 CB LEU A 58 -3.162 -13.331 5.004 1.00 0.06 C ATOM 908 CG LEU A 58 -2.740 -12.396 6.145 1.00 0.11 C ATOM 909 CD1 LEU A 58 -3.283 -12.907 7.465 1.00 0.07 C ATOM 910 CD2 LEU A 58 -1.223 -12.277 6.209 1.00 0.17 C ATOM 0 H LEU A 58 -3.504 -14.567 2.907 1.00 0.05 H new ATOM 0 HA LEU A 58 -4.669 -12.205 3.955 1.00 0.06 H new ATOM 0 HB2 LEU A 58 -3.929 -14.007 5.381 1.00 0.06 H new ATOM 0 HB3 LEU A 58 -2.304 -13.944 4.728 1.00 0.06 H new ATOM 0 HG LEU A 58 -3.154 -11.406 5.952 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -2.978 -12.236 8.268 1.00 0.07 H new ATOM 0 HD12 LEU A 58 -4.371 -12.947 7.420 1.00 0.07 H new ATOM 0 HD13 LEU A 58 -2.891 -13.906 7.658 1.00 0.07 H new ATOM 0 HD21 LEU A 58 -0.944 -11.610 7.025 1.00 0.17 H new ATOM 0 HD22 LEU A 58 -0.788 -13.261 6.381 1.00 0.17 H new ATOM 0 HD23 LEU A 58 -0.850 -11.875 5.267 1.00 0.17 H new ATOM 922 N ALA A 59 -1.762 -11.914 2.481 1.00 0.05 N ATOM 923 CA ALA A 59 -0.784 -10.962 1.973 1.00 0.06 C ATOM 924 C ALA A 59 -1.397 -10.051 0.910 1.00 0.08 C ATOM 925 O ALA A 59 -0.903 -8.953 0.656 1.00 0.11 O ATOM 926 CB ALA A 59 0.423 -11.697 1.420 1.00 0.06 C ATOM 0 H ALA A 59 -1.615 -12.873 2.167 1.00 0.05 H new ATOM 0 HA ALA A 59 -0.461 -10.331 2.801 1.00 0.06 H new ATOM 0 HB1 ALA A 59 1.147 -10.975 1.043 1.00 0.06 H new ATOM 0 HB2 ALA A 59 0.881 -12.291 2.211 1.00 0.06 H new ATOM 0 HB3 ALA A 59 0.109 -12.353 0.608 1.00 0.06 H new ATOM 932 N VAL A 60 -2.472 -10.510 0.282 1.00 0.05 N ATOM 933 CA VAL A 60 -3.157 -9.714 -0.729 1.00 0.07 C ATOM 934 C VAL A 60 -4.203 -8.838 -0.051 1.00 0.07 C ATOM 935 O VAL A 60 -4.432 -7.693 -0.443 1.00 0.08 O ATOM 936 CB VAL A 60 -3.853 -10.585 -1.797 1.00 0.07 C ATOM 937 CG1 VAL A 60 -4.408 -9.719 -2.917 1.00 0.07 C ATOM 938 CG2 VAL A 60 -2.905 -11.634 -2.362 1.00 0.08 C ATOM 0 H VAL A 60 -2.887 -11.426 0.454 1.00 0.05 H new ATOM 0 HA VAL A 60 -2.403 -9.110 -1.234 1.00 0.07 H new ATOM 0 HB VAL A 60 -4.680 -11.104 -1.312 1.00 0.07 H new ATOM 0 HG11 VAL A 60 -4.894 -10.352 -3.659 1.00 0.07 H new ATOM 0 HG12 VAL A 60 -5.134 -9.016 -2.508 1.00 0.07 H new ATOM 0 HG13 VAL A 60 -3.594 -9.167 -3.388 1.00 0.07 H new ATOM 0 HG21 VAL A 60 -3.426 -12.230 -3.111 1.00 0.08 H new ATOM 0 HG22 VAL A 60 -2.049 -11.141 -2.822 1.00 0.08 H new ATOM 0 HG23 VAL A 60 -2.560 -12.283 -1.558 1.00 0.08 H new ATOM 948 N LEU A 61 -4.828 -9.397 0.982 1.00 0.07 N ATOM 949 CA LEU A 61 -5.848 -8.690 1.746 1.00 0.08 C ATOM 950 C LEU A 61 -5.251 -7.445 2.392 1.00 0.08 C ATOM 951 O LEU A 61 -5.908 -6.410 2.503 1.00 0.08 O ATOM 952 CB LEU A 61 -6.442 -9.600 2.823 1.00 0.10 C ATOM 953 CG LEU A 61 -7.852 -9.225 3.279 1.00 0.10 C ATOM 954 CD1 LEU A 61 -8.885 -9.714 2.276 1.00 0.11 C ATOM 955 CD2 LEU A 61 -8.127 -9.800 4.655 1.00 0.07 C ATOM 0 H LEU A 61 -4.643 -10.345 1.310 1.00 0.07 H new ATOM 0 HA LEU A 61 -6.644 -8.392 1.063 1.00 0.08 H new ATOM 0 HB2 LEU A 61 -6.458 -10.622 2.445 1.00 0.10 H new ATOM 0 HB3 LEU A 61 -5.781 -9.591 3.690 1.00 0.10 H new ATOM 0 HG LEU A 61 -7.923 -8.139 3.337 1.00 0.10 H new ATOM 0 HD11 LEU A 61 -9.883 -9.438 2.617 1.00 0.11 H new ATOM 0 HD12 LEU A 61 -8.694 -9.257 1.305 1.00 0.11 H new ATOM 0 HD13 LEU A 61 -8.820 -10.798 2.186 1.00 0.11 H new ATOM 0 HD21 LEU A 61 -9.134 -9.526 4.969 1.00 0.07 H new ATOM 0 HD22 LEU A 61 -8.041 -10.886 4.619 1.00 0.07 H new ATOM 0 HD23 LEU A 61 -7.404 -9.402 5.367 1.00 0.07 H new ATOM 967 N THR A 62 -4.001 -7.558 2.814 1.00 0.10 N ATOM 968 CA THR A 62 -3.303 -6.441 3.425 1.00 0.11 C ATOM 969 C THR A 62 -2.994 -5.383 2.377 1.00 0.10 C ATOM 970 O THR A 62 -3.266 -4.199 2.571 1.00 0.13 O ATOM 971 CB THR A 62 -1.985 -6.899 4.072 1.00 0.13 C ATOM 972 OG1 THR A 62 -1.516 -8.083 3.425 1.00 0.12 O ATOM 973 CG2 THR A 62 -2.161 -7.169 5.551 1.00 0.15 C ATOM 0 H THR A 62 -3.450 -8.413 2.744 1.00 0.10 H new ATOM 0 HA THR A 62 -3.951 -6.025 4.196 1.00 0.11 H new ATOM 0 HB THR A 62 -1.256 -6.097 3.955 1.00 0.13 H new ATOM 0 HG1 THR A 62 -2.051 -8.850 3.718 1.00 0.12 H new ATOM 0 HG21 THR A 62 -1.211 -7.491 5.978 1.00 0.15 H new ATOM 0 HG22 THR A 62 -2.493 -6.259 6.050 1.00 0.15 H new ATOM 0 HG23 THR A 62 -2.906 -7.952 5.692 1.00 0.15 H new ATOM 981 N ALA A 63 -2.444 -5.839 1.256 1.00 0.08 N ATOM 982 CA ALA A 63 -2.069 -4.974 0.146 1.00 0.08 C ATOM 983 C ALA A 63 -3.236 -4.120 -0.341 1.00 0.07 C ATOM 984 O ALA A 63 -3.094 -2.910 -0.524 1.00 0.08 O ATOM 985 CB ALA A 63 -1.526 -5.818 -0.998 1.00 0.08 C ATOM 0 H ALA A 63 -2.245 -6.826 1.093 1.00 0.08 H new ATOM 0 HA ALA A 63 -1.298 -4.292 0.504 1.00 0.08 H new ATOM 0 HB1 ALA A 63 -1.246 -5.169 -1.828 1.00 0.08 H new ATOM 0 HB2 ALA A 63 -0.650 -6.371 -0.658 1.00 0.08 H new ATOM 0 HB3 ALA A 63 -2.292 -6.519 -1.328 1.00 0.08 H new ATOM 991 N VAL A 64 -4.392 -4.745 -0.537 1.00 0.07 N ATOM 992 CA VAL A 64 -5.566 -4.032 -1.029 1.00 0.08 C ATOM 993 C VAL A 64 -6.082 -2.998 -0.023 1.00 0.09 C ATOM 994 O VAL A 64 -6.498 -1.908 -0.418 1.00 0.12 O ATOM 995 CB VAL A 64 -6.698 -5.000 -1.445 1.00 0.08 C ATOM 996 CG1 VAL A 64 -7.293 -5.709 -0.242 1.00 0.05 C ATOM 997 CG2 VAL A 64 -7.778 -4.259 -2.226 1.00 0.12 C ATOM 0 H VAL A 64 -4.541 -5.739 -0.364 1.00 0.07 H new ATOM 0 HA VAL A 64 -5.242 -3.492 -1.919 1.00 0.08 H new ATOM 0 HB VAL A 64 -6.263 -5.761 -2.093 1.00 0.08 H new ATOM 0 HG11 VAL A 64 -8.085 -6.381 -0.571 1.00 0.05 H new ATOM 0 HG12 VAL A 64 -6.516 -6.283 0.263 1.00 0.05 H new ATOM 0 HG13 VAL A 64 -7.705 -4.972 0.447 1.00 0.05 H new ATOM 0 HG21 VAL A 64 -8.566 -4.957 -2.510 1.00 0.12 H new ATOM 0 HG22 VAL A 64 -8.200 -3.469 -1.604 1.00 0.12 H new ATOM 0 HG23 VAL A 64 -7.342 -3.820 -3.123 1.00 0.12 H new ATOM 1007 N GLN A 65 -6.038 -3.308 1.271 1.00 0.08 N ATOM 1008 CA GLN A 65 -6.518 -2.358 2.265 1.00 0.09 C ATOM 1009 C GLN A 65 -5.501 -1.242 2.470 1.00 0.07 C ATOM 1010 O GLN A 65 -5.870 -0.079 2.583 1.00 0.12 O ATOM 1011 CB GLN A 65 -6.857 -3.036 3.595 1.00 0.10 C ATOM 1012 CG GLN A 65 -7.980 -2.313 4.339 1.00 0.10 C ATOM 1013 CD GLN A 65 -8.192 -2.814 5.753 1.00 0.24 C ATOM 1014 OE1 GLN A 65 -9.002 -3.712 6.000 1.00 0.81 O ATOM 1015 NE2 GLN A 65 -7.475 -2.224 6.697 1.00 0.31 N ATOM 0 H GLN A 65 -5.684 -4.188 1.647 1.00 0.08 H new ATOM 0 HA GLN A 65 -7.443 -1.926 1.883 1.00 0.09 H new ATOM 0 HB2 GLN A 65 -7.152 -4.069 3.410 1.00 0.10 H new ATOM 0 HB3 GLN A 65 -5.967 -3.066 4.223 1.00 0.10 H new ATOM 0 HG2 GLN A 65 -7.756 -1.247 4.370 1.00 0.10 H new ATOM 0 HG3 GLN A 65 -8.908 -2.428 3.779 1.00 0.10 H new ATOM 0 HE21 GLN A 65 -6.816 -1.485 6.450 1.00 0.31 H new ATOM 0 HE22 GLN A 65 -7.582 -2.508 7.671 1.00 0.31 H new ATOM 1024 N ILE A 66 -4.217 -1.595 2.506 1.00 0.02 N ATOM 1025 CA ILE A 66 -3.165 -0.596 2.662 1.00 0.03 C ATOM 1026 C ILE A 66 -3.249 0.422 1.528 1.00 0.05 C ATOM 1027 O ILE A 66 -3.135 1.631 1.745 1.00 0.18 O ATOM 1028 CB ILE A 66 -1.753 -1.239 2.669 1.00 0.10 C ATOM 1029 CG1 ILE A 66 -1.531 -2.031 3.964 1.00 0.74 C ATOM 1030 CG2 ILE A 66 -0.672 -0.175 2.499 1.00 0.71 C ATOM 1031 CD1 ILE A 66 -0.318 -2.944 3.933 1.00 1.29 C ATOM 0 H ILE A 66 -3.884 -2.556 2.430 1.00 0.02 H new ATOM 0 HA ILE A 66 -3.317 -0.105 3.623 1.00 0.03 H new ATOM 0 HB ILE A 66 -1.687 -1.928 1.827 1.00 0.10 H new ATOM 0 HG12 ILE A 66 -1.424 -1.330 4.792 1.00 0.74 H new ATOM 0 HG13 ILE A 66 -2.418 -2.631 4.167 1.00 0.74 H new ATOM 0 HG21 ILE A 66 0.310 -0.649 2.507 1.00 0.71 H new ATOM 0 HG22 ILE A 66 -0.817 0.343 1.551 1.00 0.71 H new ATOM 0 HG23 ILE A 66 -0.735 0.542 3.318 1.00 0.71 H new ATOM 0 HD11 ILE A 66 -0.232 -3.467 4.885 1.00 1.29 H new ATOM 0 HD12 ILE A 66 -0.430 -3.671 3.128 1.00 1.29 H new ATOM 0 HD13 ILE A 66 0.580 -2.350 3.763 1.00 1.29 H new ATOM 1043 N ALA A 67 -3.475 -0.081 0.322 1.00 0.07 N ATOM 1044 CA ALA A 67 -3.583 0.765 -0.853 1.00 0.05 C ATOM 1045 C ALA A 67 -4.782 1.705 -0.751 1.00 0.04 C ATOM 1046 O ALA A 67 -4.669 2.884 -1.061 1.00 0.03 O ATOM 1047 CB ALA A 67 -3.677 -0.087 -2.110 1.00 0.06 C ATOM 0 H ALA A 67 -3.587 -1.077 0.134 1.00 0.07 H new ATOM 0 HA ALA A 67 -2.684 1.378 -0.911 1.00 0.05 H new ATOM 0 HB1 ALA A 67 -3.758 0.560 -2.983 1.00 0.06 H new ATOM 0 HB2 ALA A 67 -2.784 -0.706 -2.198 1.00 0.06 H new ATOM 0 HB3 ALA A 67 -4.557 -0.727 -2.051 1.00 0.06 H new ATOM 1053 N SER A 68 -5.920 1.194 -0.288 1.00 0.05 N ATOM 1054 CA SER A 68 -7.120 2.015 -0.168 1.00 0.07 C ATOM 1055 C SER A 68 -6.993 3.019 0.977 1.00 0.08 C ATOM 1056 O SER A 68 -7.388 4.181 0.842 1.00 0.12 O ATOM 1057 CB SER A 68 -8.357 1.136 0.025 1.00 0.07 C ATOM 1058 OG SER A 68 -8.038 -0.046 0.734 1.00 0.04 O ATOM 0 H SER A 68 -6.036 0.225 0.008 1.00 0.05 H new ATOM 0 HA SER A 68 -7.233 2.577 -1.095 1.00 0.07 H new ATOM 0 HB2 SER A 68 -9.122 1.693 0.566 1.00 0.07 H new ATOM 0 HB3 SER A 68 -8.779 0.878 -0.947 1.00 0.07 H new ATOM 0 HG SER A 68 -7.669 -0.710 0.114 1.00 0.04 H new ATOM 1064 N GLU A 69 -6.427 2.569 2.098 1.00 0.08 N ATOM 1065 CA GLU A 69 -6.239 3.424 3.268 1.00 0.14 C ATOM 1066 C GLU A 69 -5.369 4.630 2.921 1.00 0.10 C ATOM 1067 O GLU A 69 -5.537 5.717 3.480 1.00 0.10 O ATOM 1068 CB GLU A 69 -5.603 2.636 4.418 1.00 0.19 C ATOM 1069 CG GLU A 69 -6.567 1.683 5.108 1.00 0.29 C ATOM 1070 CD GLU A 69 -5.933 0.943 6.268 1.00 0.63 C ATOM 1071 OE1 GLU A 69 -5.739 1.559 7.340 1.00 0.82 O ATOM 1072 OE2 GLU A 69 -5.629 -0.262 6.122 1.00 0.79 O1- ATOM 0 H GLU A 69 -6.090 1.614 2.219 1.00 0.08 H new ATOM 0 HA GLU A 69 -7.220 3.779 3.586 1.00 0.14 H new ATOM 0 HB2 GLU A 69 -4.756 2.068 4.034 1.00 0.19 H new ATOM 0 HB3 GLU A 69 -5.209 3.337 5.154 1.00 0.19 H new ATOM 0 HG2 GLU A 69 -7.429 2.244 5.469 1.00 0.29 H new ATOM 0 HG3 GLU A 69 -6.938 0.960 4.381 1.00 0.29 H new ATOM 1079 N TYR A 70 -4.442 4.432 1.998 1.00 0.07 N ATOM 1080 CA TYR A 70 -3.551 5.500 1.567 1.00 0.04 C ATOM 1081 C TYR A 70 -4.127 6.241 0.362 1.00 0.03 C ATOM 1082 O TYR A 70 -3.867 7.431 0.175 1.00 0.04 O ATOM 1083 CB TYR A 70 -2.169 4.938 1.233 1.00 0.05 C ATOM 1084 CG TYR A 70 -1.275 4.761 2.444 1.00 0.18 C ATOM 1085 CD1 TYR A 70 -1.681 3.996 3.528 1.00 0.36 C ATOM 1086 CD2 TYR A 70 -0.024 5.370 2.501 1.00 0.37 C ATOM 1087 CE1 TYR A 70 -0.871 3.842 4.636 1.00 0.47 C ATOM 1088 CE2 TYR A 70 0.792 5.219 3.604 1.00 0.46 C ATOM 1089 CZ TYR A 70 0.366 4.454 4.669 1.00 0.44 C ATOM 1090 OH TYR A 70 1.176 4.309 5.774 1.00 0.58 O ATOM 0 H TYR A 70 -4.286 3.539 1.531 1.00 0.07 H new ATOM 0 HA TYR A 70 -3.453 6.211 2.388 1.00 0.04 H new ATOM 0 HB2 TYR A 70 -2.288 3.975 0.736 1.00 0.05 H new ATOM 0 HB3 TYR A 70 -1.677 5.604 0.524 1.00 0.05 H new ATOM 0 HD1 TYR A 70 -2.647 3.513 3.505 1.00 0.36 H new ATOM 0 HD2 TYR A 70 0.313 5.970 1.669 1.00 0.37 H new ATOM 0 HE1 TYR A 70 -1.204 3.246 5.473 1.00 0.47 H new ATOM 0 HE2 TYR A 70 1.760 5.698 3.633 1.00 0.46 H new ATOM 0 HH TYR A 70 1.087 3.400 6.128 1.00 0.58 H new ATOM 1100 N LEU A 71 -4.910 5.535 -0.449 1.00 0.07 N ATOM 1101 CA LEU A 71 -5.528 6.125 -1.636 1.00 0.11 C ATOM 1102 C LEU A 71 -6.458 7.262 -1.237 1.00 0.12 C ATOM 1103 O LEU A 71 -6.472 8.317 -1.872 1.00 0.16 O ATOM 1104 CB LEU A 71 -6.314 5.070 -2.428 1.00 0.13 C ATOM 1105 CG LEU A 71 -6.557 5.403 -3.915 1.00 0.14 C ATOM 1106 CD1 LEU A 71 -5.303 5.143 -4.742 1.00 0.12 C ATOM 1107 CD2 LEU A 71 -7.730 4.607 -4.481 1.00 0.23 C ATOM 0 H LEU A 71 -5.133 4.550 -0.306 1.00 0.07 H new ATOM 0 HA LEU A 71 -4.732 6.515 -2.270 1.00 0.11 H new ATOM 0 HB2 LEU A 71 -5.779 4.122 -2.368 1.00 0.13 H new ATOM 0 HB3 LEU A 71 -7.279 4.922 -1.944 1.00 0.13 H new ATOM 0 HG LEU A 71 -6.804 6.463 -3.974 1.00 0.14 H new ATOM 0 HD11 LEU A 71 -5.499 5.385 -5.786 1.00 0.12 H new ATOM 0 HD12 LEU A 71 -4.488 5.765 -4.372 1.00 0.12 H new ATOM 0 HD13 LEU A 71 -5.024 4.093 -4.659 1.00 0.12 H new ATOM 0 HD21 LEU A 71 -7.873 4.866 -5.530 1.00 0.23 H new ATOM 0 HD22 LEU A 71 -7.521 3.541 -4.396 1.00 0.23 H new ATOM 0 HD23 LEU A 71 -8.635 4.845 -3.922 1.00 0.23 H new ATOM 1119 N LYS A 72 -7.215 7.043 -0.163 1.00 0.13 N ATOM 1120 CA LYS A 72 -8.151 8.044 0.335 1.00 0.16 C ATOM 1121 C LYS A 72 -7.417 9.287 0.838 1.00 0.16 C ATOM 1122 O LYS A 72 -8.010 10.352 0.979 1.00 0.30 O ATOM 1123 CB LYS A 72 -9.026 7.461 1.453 1.00 0.18 C ATOM 1124 CG LYS A 72 -8.250 7.012 2.684 1.00 0.18 C ATOM 1125 CD LYS A 72 -9.112 7.044 3.940 1.00 0.22 C ATOM 1126 CE LYS A 72 -8.416 6.374 5.117 1.00 0.25 C ATOM 1127 NZ LYS A 72 -7.101 6.999 5.418 1.00 0.24 N1+ ATOM 0 H LYS A 72 -7.197 6.179 0.378 1.00 0.13 H new ATOM 0 HA LYS A 72 -8.792 8.338 -0.496 1.00 0.16 H new ATOM 0 HB2 LYS A 72 -9.759 8.210 1.753 1.00 0.18 H new ATOM 0 HB3 LYS A 72 -9.582 6.611 1.058 1.00 0.18 H new ATOM 0 HG2 LYS A 72 -7.873 6.001 2.527 1.00 0.18 H new ATOM 0 HG3 LYS A 72 -7.383 7.657 2.822 1.00 0.18 H new ATOM 0 HD2 LYS A 72 -9.345 8.078 4.195 1.00 0.22 H new ATOM 0 HD3 LYS A 72 -10.060 6.543 3.744 1.00 0.22 H new ATOM 0 HE2 LYS A 72 -9.055 6.434 5.998 1.00 0.25 H new ATOM 0 HE3 LYS A 72 -8.273 5.316 4.898 1.00 0.25 H new ATOM 0 HZ1 LYS A 72 -6.804 6.737 6.379 1.00 0.24 H new ATOM 0 HZ2 LYS A 72 -6.393 6.665 4.733 1.00 0.24 H new ATOM 0 HZ3 LYS A 72 -7.185 8.033 5.352 1.00 0.24 H new ATOM 1141 N LEU A 73 -6.120 9.145 1.097 1.00 0.03 N ATOM 1142 CA LEU A 73 -5.314 10.252 1.593 1.00 0.05 C ATOM 1143 C LEU A 73 -4.688 11.035 0.440 1.00 0.05 C ATOM 1144 O LEU A 73 -4.482 12.244 0.536 1.00 0.10 O ATOM 1145 CB LEU A 73 -4.218 9.732 2.529 1.00 0.14 C ATOM 1146 CG LEU A 73 -3.279 10.801 3.092 1.00 0.17 C ATOM 1147 CD1 LEU A 73 -3.981 11.634 4.153 1.00 0.18 C ATOM 1148 CD2 LEU A 73 -2.025 10.162 3.661 1.00 0.24 C ATOM 0 H LEU A 73 -5.606 8.273 0.971 1.00 0.03 H new ATOM 0 HA LEU A 73 -5.969 10.924 2.148 1.00 0.05 H new ATOM 0 HB2 LEU A 73 -4.691 9.212 3.362 1.00 0.14 H new ATOM 0 HB3 LEU A 73 -3.622 8.995 1.990 1.00 0.14 H new ATOM 0 HG LEU A 73 -2.990 11.463 2.276 1.00 0.17 H new ATOM 0 HD11 LEU A 73 -3.293 12.387 4.538 1.00 0.18 H new ATOM 0 HD12 LEU A 73 -4.849 12.126 3.714 1.00 0.18 H new ATOM 0 HD13 LEU A 73 -4.304 10.987 4.968 1.00 0.18 H new ATOM 0 HD21 LEU A 73 -1.369 10.937 4.057 1.00 0.24 H new ATOM 0 HD22 LEU A 73 -2.298 9.474 4.461 1.00 0.24 H new ATOM 0 HD23 LEU A 73 -1.506 9.615 2.874 1.00 0.24 H new ATOM 1160 N LYS A 74 -4.389 10.354 -0.656 1.00 0.10 N ATOM 1161 CA LYS A 74 -3.780 11.020 -1.798 1.00 0.18 C ATOM 1162 C LYS A 74 -4.819 11.827 -2.577 1.00 0.21 C ATOM 1163 O LYS A 74 -4.492 12.843 -3.191 1.00 0.29 O ATOM 1164 CB LYS A 74 -3.076 10.009 -2.714 1.00 0.23 C ATOM 1165 CG LYS A 74 -3.992 9.344 -3.733 1.00 0.11 C ATOM 1166 CD LYS A 74 -3.234 8.396 -4.649 1.00 0.18 C ATOM 1167 CE LYS A 74 -2.365 9.143 -5.650 1.00 0.26 C ATOM 1168 NZ LYS A 74 -1.880 8.247 -6.730 1.00 0.15 N1+ ATOM 0 H LYS A 74 -4.555 9.355 -0.779 1.00 0.10 H new ATOM 0 HA LYS A 74 -3.028 11.712 -1.420 1.00 0.18 H new ATOM 0 HB2 LYS A 74 -2.270 10.516 -3.244 1.00 0.23 H new ATOM 0 HB3 LYS A 74 -2.616 9.237 -2.098 1.00 0.23 H new ATOM 0 HG2 LYS A 74 -4.776 8.795 -3.211 1.00 0.11 H new ATOM 0 HG3 LYS A 74 -4.484 10.110 -4.332 1.00 0.11 H new ATOM 0 HD2 LYS A 74 -2.609 7.735 -4.049 1.00 0.18 H new ATOM 0 HD3 LYS A 74 -3.943 7.765 -5.185 1.00 0.18 H new ATOM 0 HE2 LYS A 74 -2.935 9.964 -6.086 1.00 0.26 H new ATOM 0 HE3 LYS A 74 -1.513 9.586 -5.134 1.00 0.26 H new ATOM 0 HZ1 LYS A 74 -1.058 8.680 -7.198 1.00 0.15 H new ATOM 0 HZ2 LYS A 74 -1.604 7.331 -6.323 1.00 0.15 H new ATOM 0 HZ3 LYS A 74 -2.638 8.102 -7.427 1.00 0.15 H new ATOM 1182 N GLU A 75 -6.073 11.382 -2.533 1.00 0.18 N ATOM 1183 CA GLU A 75 -7.146 12.069 -3.240 1.00 0.27 C ATOM 1184 C GLU A 75 -7.514 13.367 -2.527 1.00 0.23 C ATOM 1185 O GLU A 75 -7.814 14.376 -3.175 1.00 0.32 O ATOM 1186 CB GLU A 75 -8.379 11.162 -3.390 1.00 0.36 C ATOM 1187 CG GLU A 75 -9.025 10.773 -2.071 1.00 0.51 C ATOM 1188 CD GLU A 75 -10.352 10.070 -2.250 1.00 0.97 C ATOM 1189 OE1 GLU A 75 -10.367 8.834 -2.427 1.00 1.47 O ATOM 1190 OE2 GLU A 75 -11.396 10.754 -2.196 1.00 1.57 O1- ATOM 0 H GLU A 75 -6.368 10.553 -2.017 1.00 0.18 H new ATOM 0 HA GLU A 75 -6.788 12.315 -4.240 1.00 0.27 H new ATOM 0 HB2 GLU A 75 -9.118 11.671 -4.009 1.00 0.36 H new ATOM 0 HB3 GLU A 75 -8.088 10.256 -3.921 1.00 0.36 H new ATOM 0 HG2 GLU A 75 -8.347 10.123 -1.518 1.00 0.51 H new ATOM 0 HG3 GLU A 75 -9.172 11.668 -1.467 1.00 0.51 H new ATOM 1197 N GLU A 76 -7.470 13.355 -1.195 1.00 0.13 N ATOM 1198 CA GLU A 76 -7.797 14.546 -0.419 1.00 0.10 C ATOM 1199 C GLU A 76 -6.697 15.590 -0.588 1.00 0.05 C ATOM 1200 O GLU A 76 -6.960 16.792 -0.542 1.00 0.03 O ATOM 1201 CB GLU A 76 -8.025 14.215 1.064 1.00 0.10 C ATOM 1202 CG GLU A 76 -6.797 13.708 1.796 1.00 0.19 C ATOM 1203 CD GLU A 76 -7.078 13.369 3.246 1.00 0.51 C ATOM 1204 OE1 GLU A 76 -7.455 12.214 3.534 1.00 1.56 O ATOM 1205 OE2 GLU A 76 -6.920 14.257 4.109 1.00 0.59 O1- ATOM 0 H GLU A 76 -7.213 12.541 -0.637 1.00 0.13 H new ATOM 0 HA GLU A 76 -8.734 14.955 -0.798 1.00 0.10 H new ATOM 0 HB2 GLU A 76 -8.390 15.109 1.570 1.00 0.10 H new ATOM 0 HB3 GLU A 76 -8.811 13.464 1.138 1.00 0.10 H new ATOM 0 HG2 GLU A 76 -6.416 12.822 1.288 1.00 0.19 H new ATOM 0 HG3 GLU A 76 -6.013 14.464 1.749 1.00 0.19 H new ATOM 1212 N TYR A 77 -5.471 15.118 -0.813 1.00 0.06 N ATOM 1213 CA TYR A 77 -4.327 15.999 -1.027 1.00 0.05 C ATOM 1214 C TYR A 77 -4.593 16.879 -2.243 1.00 0.07 C ATOM 1215 O TYR A 77 -4.464 18.102 -2.185 1.00 0.11 O ATOM 1216 CB TYR A 77 -3.054 15.160 -1.231 1.00 0.09 C ATOM 1217 CG TYR A 77 -1.824 15.939 -1.676 1.00 0.12 C ATOM 1218 CD1 TYR A 77 -1.560 17.221 -1.201 1.00 0.14 C ATOM 1219 CD2 TYR A 77 -0.914 15.374 -2.561 1.00 0.12 C ATOM 1220 CE1 TYR A 77 -0.431 17.915 -1.599 1.00 0.17 C ATOM 1221 CE2 TYR A 77 0.216 16.061 -2.963 1.00 0.16 C ATOM 1222 CZ TYR A 77 0.455 17.329 -2.480 1.00 0.18 C ATOM 1223 OH TYR A 77 1.581 18.015 -2.878 1.00 0.21 O ATOM 0 H TYR A 77 -5.246 14.124 -0.852 1.00 0.06 H new ATOM 0 HA TYR A 77 -4.182 16.636 -0.154 1.00 0.05 H new ATOM 0 HB2 TYR A 77 -2.822 14.650 -0.296 1.00 0.09 H new ATOM 0 HB3 TYR A 77 -3.262 14.388 -1.972 1.00 0.09 H new ATOM 0 HD1 TYR A 77 -2.249 17.682 -0.509 1.00 0.14 H new ATOM 0 HD2 TYR A 77 -1.093 14.379 -2.942 1.00 0.12 H new ATOM 0 HE1 TYR A 77 -0.244 18.910 -1.222 1.00 0.17 H new ATOM 0 HE2 TYR A 77 0.910 15.605 -3.654 1.00 0.16 H new ATOM 0 HH TYR A 77 2.099 17.461 -3.498 1.00 0.21 H new ATOM 1233 N GLN A 78 -5.002 16.242 -3.334 1.00 0.10 N ATOM 1234 CA GLN A 78 -5.313 16.957 -4.564 1.00 0.13 C ATOM 1235 C GLN A 78 -6.549 17.828 -4.371 1.00 0.06 C ATOM 1236 O GLN A 78 -6.606 18.958 -4.847 1.00 0.08 O ATOM 1237 CB GLN A 78 -5.549 15.966 -5.710 1.00 0.19 C ATOM 1238 CG GLN A 78 -4.301 15.216 -6.145 1.00 0.23 C ATOM 1239 CD GLN A 78 -4.606 14.123 -7.154 1.00 0.31 C ATOM 1240 OE1 GLN A 78 -4.784 12.956 -6.797 1.00 0.51 O ATOM 1241 NE2 GLN A 78 -4.678 14.496 -8.420 1.00 0.26 N ATOM 0 H GLN A 78 -5.126 15.231 -3.391 1.00 0.10 H new ATOM 0 HA GLN A 78 -4.466 17.595 -4.816 1.00 0.13 H new ATOM 0 HB2 GLN A 78 -6.306 15.244 -5.402 1.00 0.19 H new ATOM 0 HB3 GLN A 78 -5.953 16.506 -6.566 1.00 0.19 H new ATOM 0 HG2 GLN A 78 -3.590 15.919 -6.579 1.00 0.23 H new ATOM 0 HG3 GLN A 78 -3.821 14.776 -5.271 1.00 0.23 H new ATOM 0 HE21 GLN A 78 -4.524 15.472 -8.674 1.00 0.26 H new ATOM 0 HE22 GLN A 78 -4.887 13.808 -9.143 1.00 0.26 H new ATOM 1250 N ARG A 79 -7.514 17.295 -3.626 1.00 0.04 N ATOM 1251 CA ARG A 79 -8.777 17.983 -3.364 1.00 0.11 C ATOM 1252 C ARG A 79 -8.576 19.329 -2.665 1.00 0.17 C ATOM 1253 O ARG A 79 -9.169 20.333 -3.060 1.00 0.29 O ATOM 1254 CB ARG A 79 -9.687 17.096 -2.516 1.00 0.18 C ATOM 1255 CG ARG A 79 -11.150 17.500 -2.559 1.00 0.46 C ATOM 1256 CD ARG A 79 -11.977 16.682 -1.580 1.00 0.78 C ATOM 1257 NE ARG A 79 -11.692 17.046 -0.193 1.00 1.20 N ATOM 1258 CZ ARG A 79 -11.608 16.173 0.811 1.00 0.98 C ATOM 1259 NH1 ARG A 79 -11.783 14.872 0.599 1.00 0.63 N1+ ATOM 1260 NH2 ARG A 79 -11.349 16.605 2.036 1.00 1.78 N ATOM 0 H ARG A 79 -7.444 16.377 -3.188 1.00 0.04 H new ATOM 0 HA ARG A 79 -9.241 18.182 -4.330 1.00 0.11 H new ATOM 0 HB2 ARG A 79 -9.594 16.065 -2.857 1.00 0.18 H new ATOM 0 HB3 ARG A 79 -9.343 17.122 -1.482 1.00 0.18 H new ATOM 0 HG2 ARG A 79 -11.244 18.560 -2.321 1.00 0.46 H new ATOM 0 HG3 ARG A 79 -11.538 17.364 -3.569 1.00 0.46 H new ATOM 0 HD2 ARG A 79 -13.037 16.832 -1.785 1.00 0.78 H new ATOM 0 HD3 ARG A 79 -11.771 15.622 -1.727 1.00 0.78 H new ATOM 0 HE ARG A 79 -11.548 18.033 0.021 1.00 1.20 H new ATOM 0 HH11 ARG A 79 -11.984 14.531 -0.341 1.00 0.63 H new ATOM 0 HH12 ARG A 79 -11.716 14.215 1.376 1.00 0.63 H new ATOM 0 HH21 ARG A 79 -11.215 17.601 2.208 1.00 1.78 H new ATOM 0 HH22 ARG A 79 -11.284 15.941 2.808 1.00 1.78 H new ATOM 1274 N LEU A 80 -7.749 19.350 -1.629 1.00 0.11 N ATOM 1275 CA LEU A 80 -7.508 20.585 -0.891 1.00 0.17 C ATOM 1276 C LEU A 80 -6.592 21.522 -1.668 1.00 0.18 C ATOM 1277 O LEU A 80 -6.683 22.742 -1.538 1.00 0.22 O ATOM 1278 CB LEU A 80 -6.923 20.295 0.500 1.00 0.19 C ATOM 1279 CG LEU A 80 -5.498 19.727 0.523 1.00 0.22 C ATOM 1280 CD1 LEU A 80 -4.472 20.821 0.788 1.00 0.25 C ATOM 1281 CD2 LEU A 80 -5.377 18.630 1.569 1.00 0.23 C ATOM 0 H LEU A 80 -7.239 18.538 -1.283 1.00 0.11 H new ATOM 0 HA LEU A 80 -8.470 21.080 -0.761 1.00 0.17 H new ATOM 0 HB2 LEU A 80 -6.934 21.219 1.077 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -7.582 19.592 1.010 1.00 0.19 H new ATOM 0 HG LEU A 80 -5.294 19.301 -0.459 1.00 0.22 H new ATOM 0 HD11 LEU A 80 -3.472 20.387 0.798 1.00 0.25 H new ATOM 0 HD12 LEU A 80 -4.533 21.575 0.003 1.00 0.25 H new ATOM 0 HD13 LEU A 80 -4.676 21.285 1.753 1.00 0.25 H new ATOM 0 HD21 LEU A 80 -4.359 18.239 1.571 1.00 0.23 H new ATOM 0 HD22 LEU A 80 -5.611 19.038 2.553 1.00 0.23 H new ATOM 0 HD23 LEU A 80 -6.074 17.825 1.335 1.00 0.23 H new ATOM 1293 N ARG A 81 -5.719 20.953 -2.488 1.00 0.17 N ATOM 1294 CA ARG A 81 -4.795 21.754 -3.274 1.00 0.21 C ATOM 1295 C ARG A 81 -5.538 22.515 -4.367 1.00 0.22 C ATOM 1296 O ARG A 81 -5.255 23.685 -4.624 1.00 0.31 O ATOM 1297 CB ARG A 81 -3.695 20.875 -3.874 1.00 0.21 C ATOM 1298 CG ARG A 81 -2.587 20.542 -2.886 1.00 0.25 C ATOM 1299 CD ARG A 81 -1.320 21.334 -3.173 1.00 0.43 C ATOM 1300 NE ARG A 81 -1.519 22.776 -3.034 1.00 0.50 N ATOM 1301 CZ ARG A 81 -0.820 23.686 -3.711 1.00 0.50 C ATOM 1302 NH1 ARG A 81 0.143 23.305 -4.547 1.00 0.71 N1+ ATOM 1303 NH2 ARG A 81 -1.071 24.975 -3.543 1.00 0.54 N ATOM 0 H ARG A 81 -5.632 19.946 -2.625 1.00 0.17 H new ATOM 0 HA ARG A 81 -4.325 22.482 -2.613 1.00 0.21 H new ATOM 0 HB2 ARG A 81 -4.138 19.948 -4.239 1.00 0.21 H new ATOM 0 HB3 ARG A 81 -3.263 21.383 -4.736 1.00 0.21 H new ATOM 0 HG2 ARG A 81 -2.927 20.755 -1.873 1.00 0.25 H new ATOM 0 HG3 ARG A 81 -2.367 19.475 -2.931 1.00 0.25 H new ATOM 0 HD2 ARG A 81 -0.532 21.012 -2.493 1.00 0.43 H new ATOM 0 HD3 ARG A 81 -0.978 21.113 -4.184 1.00 0.43 H new ATOM 0 HE ARG A 81 -2.232 23.103 -2.383 1.00 0.50 H new ATOM 0 HH11 ARG A 81 0.348 22.314 -4.671 1.00 0.71 H new ATOM 0 HH12 ARG A 81 0.676 24.004 -5.064 1.00 0.71 H new ATOM 0 HH21 ARG A 81 -1.800 25.272 -2.895 1.00 0.54 H new ATOM 0 HH22 ARG A 81 -0.535 25.671 -4.062 1.00 0.54 H new ATOM 1551 N THR B 10 -19.065 -0.100 5.720 1.00 0.33 N ATOM 1552 CA THR B 10 -19.445 -1.355 5.086 1.00 0.31 C ATOM 1553 C THR B 10 -18.234 -2.100 4.516 1.00 0.23 C ATOM 1554 O THR B 10 -17.134 -1.552 4.410 1.00 0.23 O ATOM 1555 CB THR B 10 -20.490 -1.108 3.970 1.00 0.36 C ATOM 1556 OG1 THR B 10 -21.217 -2.308 3.681 1.00 0.42 O ATOM 1557 CG2 THR B 10 -19.830 -0.594 2.697 1.00 0.28 C ATOM 0 HA THR B 10 -19.888 -1.984 5.859 1.00 0.31 H new ATOM 0 HB THR B 10 -21.181 -0.348 4.335 1.00 0.36 H new ATOM 0 HG1 THR B 10 -21.873 -2.131 2.975 1.00 0.42 H new ATOM 0 HG21 THR B 10 -20.590 -0.431 1.933 1.00 0.28 H new ATOM 0 HG22 THR B 10 -19.318 0.345 2.906 1.00 0.28 H new ATOM 0 HG23 THR B 10 -19.108 -1.328 2.339 1.00 0.28 H new ATOM 1565 N ARG B 11 -18.459 -3.353 4.148 1.00 0.25 N ATOM 1566 CA ARG B 11 -17.412 -4.192 3.588 1.00 0.21 C ATOM 1567 C ARG B 11 -17.725 -4.481 2.126 1.00 0.27 C ATOM 1568 O ARG B 11 -18.860 -4.816 1.780 1.00 0.53 O ATOM 1569 CB ARG B 11 -17.271 -5.498 4.383 1.00 0.24 C ATOM 1570 CG ARG B 11 -18.595 -6.164 4.721 1.00 0.31 C ATOM 1571 CD ARG B 11 -18.392 -7.495 5.423 1.00 0.68 C ATOM 1572 NE ARG B 11 -19.666 -8.173 5.652 1.00 1.23 N ATOM 1573 CZ ARG B 11 -19.824 -9.244 6.427 1.00 1.21 C ATOM 1574 NH1 ARG B 11 -18.786 -9.775 7.060 1.00 1.36 N1+ ATOM 1575 NH2 ARG B 11 -21.027 -9.782 6.567 1.00 1.72 N ATOM 0 H ARG B 11 -19.366 -3.813 4.229 1.00 0.25 H new ATOM 0 HA ARG B 11 -16.461 -3.664 3.653 1.00 0.21 H new ATOM 0 HB2 ARG B 11 -16.661 -6.196 3.809 1.00 0.24 H new ATOM 0 HB3 ARG B 11 -16.734 -5.291 5.309 1.00 0.24 H new ATOM 0 HG2 ARG B 11 -19.183 -5.503 5.358 1.00 0.31 H new ATOM 0 HG3 ARG B 11 -19.168 -6.319 3.807 1.00 0.31 H new ATOM 0 HD2 ARG B 11 -17.742 -8.131 4.822 1.00 0.68 H new ATOM 0 HD3 ARG B 11 -17.887 -7.333 6.375 1.00 0.68 H new ATOM 0 HE ARG B 11 -20.492 -7.799 5.185 1.00 1.23 H new ATOM 0 HH11 ARG B 11 -17.859 -9.363 6.955 1.00 1.36 H new ATOM 0 HH12 ARG B 11 -18.915 -10.596 7.652 1.00 1.36 H new ATOM 0 HH21 ARG B 11 -21.827 -9.376 6.082 1.00 1.72 H new ATOM 0 HH22 ARG B 11 -21.153 -10.603 7.160 1.00 1.72 H new ATOM 1589 N VAL B 12 -16.725 -4.354 1.273 1.00 0.16 N ATOM 1590 CA VAL B 12 -16.912 -4.571 -0.151 1.00 0.15 C ATOM 1591 C VAL B 12 -16.219 -5.849 -0.621 1.00 0.12 C ATOM 1592 O VAL B 12 -15.179 -6.248 -0.084 1.00 0.17 O ATOM 1593 CB VAL B 12 -16.393 -3.359 -0.964 1.00 0.19 C ATOM 1594 CG1 VAL B 12 -14.878 -3.238 -0.860 1.00 0.13 C ATOM 1595 CG2 VAL B 12 -16.833 -3.443 -2.420 1.00 0.25 C ATOM 0 H VAL B 12 -15.774 -4.101 1.541 1.00 0.16 H new ATOM 0 HA VAL B 12 -17.982 -4.682 -0.324 1.00 0.15 H new ATOM 0 HB VAL B 12 -16.833 -2.459 -0.534 1.00 0.19 H new ATOM 0 HG11 VAL B 12 -14.541 -2.379 -1.440 1.00 0.13 H new ATOM 0 HG12 VAL B 12 -14.594 -3.105 0.184 1.00 0.13 H new ATOM 0 HG13 VAL B 12 -14.413 -4.144 -1.249 1.00 0.13 H new ATOM 0 HG21 VAL B 12 -16.454 -2.579 -2.965 1.00 0.25 H new ATOM 0 HG22 VAL B 12 -16.439 -4.356 -2.867 1.00 0.25 H new ATOM 0 HG23 VAL B 12 -17.922 -3.455 -2.471 1.00 0.25 H new ATOM 1605 N SER B 13 -16.822 -6.496 -1.604 1.00 0.09 N ATOM 1606 CA SER B 13 -16.280 -7.713 -2.179 1.00 0.12 C ATOM 1607 C SER B 13 -15.602 -7.397 -3.507 1.00 0.18 C ATOM 1608 O SER B 13 -16.236 -6.856 -4.415 1.00 0.48 O ATOM 1609 CB SER B 13 -17.403 -8.726 -2.383 1.00 0.12 C ATOM 1610 OG SER B 13 -18.555 -8.100 -2.929 1.00 0.38 O ATOM 0 H SER B 13 -17.700 -6.192 -2.025 1.00 0.09 H new ATOM 0 HA SER B 13 -15.540 -8.139 -1.501 1.00 0.12 H new ATOM 0 HB2 SER B 13 -17.066 -9.520 -3.049 1.00 0.12 H new ATOM 0 HB3 SER B 13 -17.655 -9.193 -1.431 1.00 0.12 H new ATOM 0 HG SER B 13 -18.286 -7.491 -3.648 1.00 0.38 H new ATOM 1616 N VAL B 14 -14.320 -7.709 -3.616 1.00 0.14 N ATOM 1617 CA VAL B 14 -13.573 -7.441 -4.838 1.00 0.13 C ATOM 1618 C VAL B 14 -12.793 -8.673 -5.278 1.00 0.09 C ATOM 1619 O VAL B 14 -12.747 -9.673 -4.567 1.00 0.19 O ATOM 1620 CB VAL B 14 -12.592 -6.261 -4.664 1.00 0.15 C ATOM 1621 CG1 VAL B 14 -13.343 -4.969 -4.381 1.00 0.27 C ATOM 1622 CG2 VAL B 14 -11.581 -6.550 -3.563 1.00 0.17 C ATOM 0 H VAL B 14 -13.774 -8.148 -2.874 1.00 0.14 H new ATOM 0 HA VAL B 14 -14.305 -7.177 -5.602 1.00 0.13 H new ATOM 0 HB VAL B 14 -12.046 -6.138 -5.599 1.00 0.15 H new ATOM 0 HG11 VAL B 14 -12.631 -4.153 -4.262 1.00 0.27 H new ATOM 0 HG12 VAL B 14 -14.013 -4.748 -5.212 1.00 0.27 H new ATOM 0 HG13 VAL B 14 -13.924 -5.079 -3.466 1.00 0.27 H new ATOM 0 HG21 VAL B 14 -10.902 -5.703 -3.461 1.00 0.17 H new ATOM 0 HG22 VAL B 14 -12.105 -6.710 -2.621 1.00 0.17 H new ATOM 0 HG23 VAL B 14 -11.011 -7.443 -3.818 1.00 0.17 H new ATOM 1632 N ARG B 15 -12.179 -8.597 -6.447 1.00 0.17 N ATOM 1633 CA ARG B 15 -11.400 -9.704 -6.971 1.00 0.12 C ATOM 1634 C ARG B 15 -10.005 -9.235 -7.368 1.00 0.08 C ATOM 1635 O ARG B 15 -9.854 -8.213 -8.033 1.00 0.12 O ATOM 1636 CB ARG B 15 -12.113 -10.327 -8.171 1.00 0.19 C ATOM 1637 CG ARG B 15 -11.545 -11.672 -8.584 1.00 0.32 C ATOM 1638 CD ARG B 15 -12.644 -12.623 -9.027 1.00 0.37 C ATOM 1639 NE ARG B 15 -13.643 -12.828 -7.978 1.00 0.23 N ATOM 1640 CZ ARG B 15 -14.562 -13.791 -8.005 1.00 0.17 C ATOM 1641 NH1 ARG B 15 -14.601 -14.647 -9.022 1.00 0.20 N1+ ATOM 1642 NH2 ARG B 15 -15.432 -13.901 -7.011 1.00 0.33 N ATOM 0 H ARG B 15 -12.206 -7.777 -7.052 1.00 0.17 H new ATOM 0 HA ARG B 15 -11.300 -10.459 -6.191 1.00 0.12 H new ATOM 0 HB2 ARG B 15 -13.170 -10.446 -7.933 1.00 0.19 H new ATOM 0 HB3 ARG B 15 -12.051 -9.641 -9.016 1.00 0.19 H new ATOM 0 HG2 ARG B 15 -10.831 -11.534 -9.396 1.00 0.32 H new ATOM 0 HG3 ARG B 15 -10.997 -12.110 -7.749 1.00 0.32 H new ATOM 0 HD2 ARG B 15 -13.130 -12.226 -9.919 1.00 0.37 H new ATOM 0 HD3 ARG B 15 -12.205 -13.582 -9.303 1.00 0.37 H new ATOM 0 HE ARG B 15 -13.635 -12.195 -7.178 1.00 0.23 H new ATOM 0 HH11 ARG B 15 -13.926 -14.566 -9.783 1.00 0.20 H new ATOM 0 HH12 ARG B 15 -15.306 -15.384 -9.041 1.00 0.20 H new ATOM 0 HH21 ARG B 15 -15.397 -13.249 -6.228 1.00 0.33 H new ATOM 0 HH22 ARG B 15 -16.137 -14.638 -7.029 1.00 0.33 H new ATOM 1656 N ILE B 16 -8.990 -9.970 -6.927 1.00 0.03 N ATOM 1657 CA ILE B 16 -7.600 -9.652 -7.235 1.00 0.08 C ATOM 1658 C ILE B 16 -6.859 -10.925 -7.627 1.00 0.13 C ATOM 1659 O ILE B 16 -6.927 -11.927 -6.912 1.00 0.15 O ATOM 1660 CB ILE B 16 -6.880 -8.996 -6.033 1.00 0.10 C ATOM 1661 CG1 ILE B 16 -7.699 -7.823 -5.484 1.00 0.11 C ATOM 1662 CG2 ILE B 16 -5.490 -8.526 -6.441 1.00 0.15 C ATOM 1663 CD1 ILE B 16 -7.317 -7.427 -4.076 1.00 0.15 C ATOM 0 H ILE B 16 -9.107 -10.801 -6.347 1.00 0.03 H new ATOM 0 HA ILE B 16 -7.599 -8.941 -8.061 1.00 0.08 H new ATOM 0 HB ILE B 16 -6.780 -9.742 -5.245 1.00 0.10 H new ATOM 0 HG12 ILE B 16 -7.573 -6.963 -6.142 1.00 0.11 H new ATOM 0 HG13 ILE B 16 -8.756 -8.087 -5.504 1.00 0.11 H new ATOM 0 HG21 ILE B 16 -4.995 -8.067 -5.585 1.00 0.15 H new ATOM 0 HG22 ILE B 16 -4.904 -9.378 -6.784 1.00 0.15 H new ATOM 0 HG23 ILE B 16 -5.574 -7.796 -7.246 1.00 0.15 H new ATOM 0 HD11 ILE B 16 -7.937 -6.591 -3.752 1.00 0.15 H new ATOM 0 HD12 ILE B 16 -7.470 -8.273 -3.406 1.00 0.15 H new ATOM 0 HD13 ILE B 16 -6.268 -7.131 -4.053 1.00 0.15 H new ATOM 1675 N TYR B 17 -6.184 -10.888 -8.774 1.00 0.18 N ATOM 1676 CA TYR B 17 -5.428 -12.032 -9.287 1.00 0.25 C ATOM 1677 C TYR B 17 -6.331 -13.254 -9.468 1.00 0.24 C ATOM 1678 O TYR B 17 -5.896 -14.396 -9.329 1.00 0.27 O ATOM 1679 CB TYR B 17 -4.255 -12.364 -8.358 1.00 0.29 C ATOM 1680 CG TYR B 17 -2.996 -12.782 -9.096 1.00 0.23 C ATOM 1681 CD1 TYR B 17 -2.301 -11.877 -9.892 1.00 0.22 C ATOM 1682 CD2 TYR B 17 -2.501 -14.078 -8.993 1.00 0.27 C ATOM 1683 CE1 TYR B 17 -1.150 -12.252 -10.567 1.00 0.20 C ATOM 1684 CE2 TYR B 17 -1.352 -14.460 -9.665 1.00 0.31 C ATOM 1685 CZ TYR B 17 -0.680 -13.544 -10.447 1.00 0.26 C ATOM 1686 OH TYR B 17 0.466 -13.921 -11.117 1.00 0.34 O ATOM 0 H TYR B 17 -6.145 -10.065 -9.375 1.00 0.18 H new ATOM 0 HA TYR B 17 -5.030 -11.759 -10.264 1.00 0.25 H new ATOM 0 HB2 TYR B 17 -4.033 -11.493 -7.741 1.00 0.29 H new ATOM 0 HB3 TYR B 17 -4.553 -13.165 -7.682 1.00 0.29 H new ATOM 0 HD1 TYR B 17 -2.665 -10.864 -9.986 1.00 0.22 H new ATOM 0 HD2 TYR B 17 -3.021 -14.798 -8.379 1.00 0.27 H new ATOM 0 HE1 TYR B 17 -0.624 -11.538 -11.183 1.00 0.20 H new ATOM 0 HE2 TYR B 17 -0.984 -15.471 -9.577 1.00 0.31 H new ATOM 0 HH TYR B 17 0.662 -14.862 -10.926 1.00 0.34 H new ATOM 1696 N GLY B 18 -7.600 -12.998 -9.770 1.00 0.21 N ATOM 1697 CA GLY B 18 -8.548 -14.076 -9.982 1.00 0.22 C ATOM 1698 C GLY B 18 -9.127 -14.640 -8.696 1.00 0.22 C ATOM 1699 O GLY B 18 -9.905 -15.591 -8.731 1.00 0.24 O ATOM 0 H GLY B 18 -7.989 -12.061 -9.872 1.00 0.21 H new ATOM 0 HA2 GLY B 18 -9.363 -13.714 -10.609 1.00 0.22 H new ATOM 0 HA3 GLY B 18 -8.056 -14.878 -10.531 1.00 0.22 H new ATOM 1703 N GLN B 19 -8.750 -14.073 -7.558 1.00 0.20 N ATOM 1704 CA GLN B 19 -9.259 -14.538 -6.273 1.00 0.21 C ATOM 1705 C GLN B 19 -10.167 -13.484 -5.653 1.00 0.18 C ATOM 1706 O GLN B 19 -9.967 -12.290 -5.865 1.00 0.13 O ATOM 1707 CB GLN B 19 -8.107 -14.886 -5.331 1.00 0.22 C ATOM 1708 CG GLN B 19 -7.436 -16.209 -5.661 1.00 0.56 C ATOM 1709 CD GLN B 19 -8.397 -17.381 -5.609 1.00 0.86 C ATOM 1710 OE1 GLN B 19 -8.587 -17.999 -4.564 1.00 0.81 O ATOM 1711 NE2 GLN B 19 -9.014 -17.693 -6.737 1.00 1.36 N ATOM 0 H GLN B 19 -8.096 -13.293 -7.497 1.00 0.20 H new ATOM 0 HA GLN B 19 -9.844 -15.443 -6.437 1.00 0.21 H new ATOM 0 HB2 GLN B 19 -7.363 -14.090 -5.369 1.00 0.22 H new ATOM 0 HB3 GLN B 19 -8.482 -14.923 -4.308 1.00 0.22 H new ATOM 0 HG2 GLN B 19 -6.995 -16.150 -6.656 1.00 0.56 H new ATOM 0 HG3 GLN B 19 -6.619 -16.382 -4.960 1.00 0.56 H new ATOM 0 HE21 GLN B 19 -8.830 -17.156 -7.584 1.00 1.36 H new ATOM 0 HE22 GLN B 19 -9.674 -18.471 -6.759 1.00 1.36 H new ATOM 1720 N ASP B 20 -11.157 -13.925 -4.892 1.00 0.24 N ATOM 1721 CA ASP B 20 -12.111 -13.011 -4.269 1.00 0.24 C ATOM 1722 C ASP B 20 -11.629 -12.561 -2.894 1.00 0.23 C ATOM 1723 O ASP B 20 -11.139 -13.367 -2.103 1.00 0.23 O ATOM 1724 CB ASP B 20 -13.478 -13.679 -4.144 1.00 0.31 C ATOM 1725 CG ASP B 20 -14.595 -12.673 -3.956 1.00 0.41 C ATOM 1726 OD1 ASP B 20 -14.903 -12.328 -2.796 1.00 0.39 O1- ATOM 1727 OD2 ASP B 20 -15.176 -12.234 -4.971 1.00 1.64 O ATOM 0 H ASP B 20 -11.324 -14.911 -4.689 1.00 0.24 H new ATOM 0 HA ASP B 20 -12.195 -12.131 -4.907 1.00 0.24 H new ATOM 0 HB2 ASP B 20 -13.673 -14.272 -5.037 1.00 0.31 H new ATOM 0 HB3 ASP B 20 -13.467 -14.368 -3.300 1.00 0.31 H new ATOM 1732 N TYR B 21 -11.779 -11.273 -2.616 1.00 0.23 N ATOM 1733 CA TYR B 21 -11.358 -10.701 -1.346 1.00 0.22 C ATOM 1734 C TYR B 21 -12.433 -9.765 -0.802 1.00 0.24 C ATOM 1735 O TYR B 21 -13.184 -9.163 -1.566 1.00 0.36 O ATOM 1736 CB TYR B 21 -10.037 -9.941 -1.509 1.00 0.19 C ATOM 1737 CG TYR B 21 -8.876 -10.825 -1.899 1.00 0.17 C ATOM 1738 CD1 TYR B 21 -8.162 -11.528 -0.938 1.00 0.16 C ATOM 1739 CD2 TYR B 21 -8.507 -10.972 -3.227 1.00 0.17 C ATOM 1740 CE1 TYR B 21 -7.114 -12.353 -1.293 1.00 0.15 C ATOM 1741 CE2 TYR B 21 -7.458 -11.792 -3.590 1.00 0.16 C ATOM 1742 CZ TYR B 21 -6.766 -12.482 -2.620 1.00 0.15 C ATOM 1743 OH TYR B 21 -5.725 -13.305 -2.979 1.00 0.14 O ATOM 0 H TYR B 21 -12.193 -10.600 -3.260 1.00 0.23 H new ATOM 0 HA TYR B 21 -11.208 -11.516 -0.638 1.00 0.22 H new ATOM 0 HB2 TYR B 21 -10.164 -9.167 -2.266 1.00 0.19 H new ATOM 0 HB3 TYR B 21 -9.800 -9.436 -0.573 1.00 0.19 H new ATOM 0 HD1 TYR B 21 -8.431 -11.428 0.103 1.00 0.16 H new ATOM 0 HD2 TYR B 21 -9.050 -10.435 -3.991 1.00 0.17 H new ATOM 0 HE1 TYR B 21 -6.569 -12.895 -0.534 1.00 0.15 H new ATOM 0 HE2 TYR B 21 -7.181 -11.892 -4.629 1.00 0.16 H new ATOM 0 HH TYR B 21 -5.611 -13.283 -3.952 1.00 0.14 H new ATOM 1753 N THR B 22 -12.508 -9.655 0.515 1.00 0.18 N ATOM 1754 CA THR B 22 -13.487 -8.794 1.157 1.00 0.18 C ATOM 1755 C THR B 22 -12.807 -7.904 2.192 1.00 0.16 C ATOM 1756 O THR B 22 -12.182 -8.399 3.128 1.00 0.21 O ATOM 1757 CB THR B 22 -14.593 -9.625 1.833 1.00 0.20 C ATOM 1758 OG1 THR B 22 -15.001 -10.684 0.958 1.00 0.54 O ATOM 1759 CG2 THR B 22 -15.795 -8.758 2.179 1.00 0.26 C ATOM 0 H THR B 22 -11.899 -10.155 1.163 1.00 0.18 H new ATOM 0 HA THR B 22 -13.943 -8.170 0.388 1.00 0.18 H new ATOM 0 HB THR B 22 -14.193 -10.041 2.757 1.00 0.20 H new ATOM 0 HG1 THR B 22 -15.704 -11.213 1.390 1.00 0.54 H new ATOM 0 HG21 THR B 22 -16.561 -9.371 2.655 1.00 0.26 H new ATOM 0 HG22 THR B 22 -15.488 -7.966 2.862 1.00 0.26 H new ATOM 0 HG23 THR B 22 -16.199 -8.316 1.268 1.00 0.26 H new ATOM 1767 N ILE B 23 -12.929 -6.596 2.011 1.00 0.11 N ATOM 1768 CA ILE B 23 -12.313 -5.633 2.920 1.00 0.11 C ATOM 1769 C ILE B 23 -13.284 -4.502 3.227 1.00 0.14 C ATOM 1770 O ILE B 23 -14.365 -4.429 2.642 1.00 0.32 O ATOM 1771 CB ILE B 23 -11.001 -5.023 2.359 1.00 0.07 C ATOM 1772 CG1 ILE B 23 -11.256 -4.238 1.053 1.00 0.07 C ATOM 1773 CG2 ILE B 23 -9.934 -6.092 2.174 1.00 0.03 C ATOM 1774 CD1 ILE B 23 -11.376 -5.077 -0.210 1.00 0.08 C ATOM 0 H ILE B 23 -13.450 -6.175 1.242 1.00 0.11 H new ATOM 0 HA ILE B 23 -12.065 -6.185 3.826 1.00 0.11 H new ATOM 0 HB ILE B 23 -10.626 -4.310 3.093 1.00 0.07 H new ATOM 0 HG12 ILE B 23 -12.173 -3.660 1.171 1.00 0.07 H new ATOM 0 HG13 ILE B 23 -10.444 -3.523 0.916 1.00 0.07 H new ATOM 0 HG21 ILE B 23 -9.026 -5.635 1.780 1.00 0.03 H new ATOM 0 HG22 ILE B 23 -9.717 -6.560 3.134 1.00 0.03 H new ATOM 0 HG23 ILE B 23 -10.293 -6.847 1.475 1.00 0.03 H new ATOM 0 HD11 ILE B 23 -11.554 -4.424 -1.065 1.00 0.08 H new ATOM 0 HD12 ILE B 23 -10.453 -5.635 -0.365 1.00 0.08 H new ATOM 0 HD13 ILE B 23 -12.208 -5.774 -0.106 1.00 0.08 H new ATOM 1786 N VAL B 24 -12.897 -3.625 4.137 1.00 0.16 N ATOM 1787 CA VAL B 24 -13.739 -2.501 4.514 1.00 0.17 C ATOM 1788 C VAL B 24 -13.524 -1.342 3.547 1.00 0.22 C ATOM 1789 O VAL B 24 -12.397 -0.894 3.351 1.00 0.28 O ATOM 1790 CB VAL B 24 -13.445 -2.034 5.954 1.00 0.19 C ATOM 1791 CG1 VAL B 24 -14.397 -0.924 6.369 1.00 0.20 C ATOM 1792 CG2 VAL B 24 -13.535 -3.202 6.923 1.00 0.18 C ATOM 0 H VAL B 24 -12.005 -3.669 4.629 1.00 0.16 H new ATOM 0 HA VAL B 24 -14.777 -2.831 4.468 1.00 0.17 H new ATOM 0 HB VAL B 24 -12.429 -1.639 5.981 1.00 0.19 H new ATOM 0 HG11 VAL B 24 -14.170 -0.612 7.388 1.00 0.20 H new ATOM 0 HG12 VAL B 24 -14.282 -0.075 5.695 1.00 0.20 H new ATOM 0 HG13 VAL B 24 -15.423 -1.288 6.322 1.00 0.20 H new ATOM 0 HG21 VAL B 24 -13.324 -2.853 7.934 1.00 0.18 H new ATOM 0 HG22 VAL B 24 -14.538 -3.628 6.888 1.00 0.18 H new ATOM 0 HG23 VAL B 24 -12.807 -3.964 6.643 1.00 0.18 H new ATOM 1802 N GLY B 25 -14.605 -0.867 2.941 1.00 0.21 N ATOM 1803 CA GLY B 25 -14.503 0.228 2.000 1.00 0.27 C ATOM 1804 C GLY B 25 -15.719 1.123 2.042 1.00 0.07 C ATOM 1805 O GLY B 25 -16.739 0.821 1.425 1.00 0.28 O ATOM 0 H GLY B 25 -15.550 -1.222 3.086 1.00 0.21 H new ATOM 0 HA2 GLY B 25 -13.612 0.816 2.222 1.00 0.27 H new ATOM 0 HA3 GLY B 25 -14.380 -0.170 0.993 1.00 0.27 H new ATOM 1809 N ALA B 26 -15.621 2.216 2.785 1.00 0.15 N ATOM 1810 CA ALA B 26 -16.740 3.142 2.910 1.00 0.36 C ATOM 1811 C ALA B 26 -16.371 4.552 2.461 1.00 0.34 C ATOM 1812 O ALA B 26 -17.168 5.482 2.601 1.00 0.57 O ATOM 1813 CB ALA B 26 -17.232 3.157 4.342 1.00 0.61 C ATOM 0 H ALA B 26 -14.786 2.483 3.307 1.00 0.15 H new ATOM 0 HA ALA B 26 -17.536 2.794 2.252 1.00 0.36 H new ATOM 0 HB1 ALA B 26 -18.068 3.850 4.432 1.00 0.61 H new ATOM 0 HB2 ALA B 26 -17.558 2.156 4.625 1.00 0.61 H new ATOM 0 HB3 ALA B 26 -16.424 3.476 5.001 1.00 0.61 H new ATOM 1819 N GLU B 27 -15.170 4.708 1.921 1.00 0.08 N ATOM 1820 CA GLU B 27 -14.703 6.006 1.453 1.00 0.06 C ATOM 1821 C GLU B 27 -15.421 6.392 0.162 1.00 0.07 C ATOM 1822 O GLU B 27 -16.056 7.447 0.080 1.00 0.08 O ATOM 1823 CB GLU B 27 -13.188 5.979 1.231 1.00 0.06 C ATOM 1824 CG GLU B 27 -12.370 6.307 2.475 1.00 0.97 C ATOM 1825 CD GLU B 27 -12.852 5.596 3.729 1.00 1.82 C ATOM 1826 OE1 GLU B 27 -12.913 4.350 3.739 1.00 2.44 O1- ATOM 1827 OE2 GLU B 27 -13.165 6.285 4.723 1.00 2.18 O ATOM 0 H GLU B 27 -14.500 3.949 1.796 1.00 0.08 H new ATOM 0 HA GLU B 27 -14.929 6.752 2.215 1.00 0.06 H new ATOM 0 HB2 GLU B 27 -12.902 4.991 0.872 1.00 0.06 H new ATOM 0 HB3 GLU B 27 -12.934 6.690 0.445 1.00 0.06 H new ATOM 0 HG2 GLU B 27 -11.329 6.041 2.295 1.00 0.97 H new ATOM 0 HG3 GLU B 27 -12.399 7.383 2.645 1.00 0.97 H new ATOM 1834 N SER B 28 -15.311 5.533 -0.840 1.00 0.08 N ATOM 1835 CA SER B 28 -15.958 5.752 -2.125 1.00 0.11 C ATOM 1836 C SER B 28 -16.071 4.429 -2.881 1.00 0.14 C ATOM 1837 O SER B 28 -15.052 3.806 -3.194 1.00 0.14 O ATOM 1838 CB SER B 28 -15.174 6.776 -2.955 1.00 0.16 C ATOM 1839 OG SER B 28 -13.803 6.788 -2.598 1.00 0.98 O ATOM 0 H SER B 28 -14.773 4.668 -0.786 1.00 0.08 H new ATOM 0 HA SER B 28 -16.959 6.148 -1.951 1.00 0.11 H new ATOM 0 HB2 SER B 28 -15.274 6.541 -4.015 1.00 0.16 H new ATOM 0 HB3 SER B 28 -15.599 7.769 -2.807 1.00 0.16 H new ATOM 0 HG SER B 28 -13.331 7.460 -3.133 1.00 0.98 H new ATOM 1845 N PRO B 29 -17.309 3.978 -3.172 1.00 0.17 N ATOM 1846 CA PRO B 29 -17.562 2.717 -3.886 1.00 0.21 C ATOM 1847 C PRO B 29 -16.781 2.597 -5.198 1.00 0.18 C ATOM 1848 O PRO B 29 -16.293 1.523 -5.541 1.00 0.20 O ATOM 1849 CB PRO B 29 -19.073 2.741 -4.169 1.00 0.30 C ATOM 1850 CG PRO B 29 -19.530 4.125 -3.841 1.00 0.28 C ATOM 1851 CD PRO B 29 -18.567 4.655 -2.821 1.00 0.18 C ATOM 0 HA PRO B 29 -17.239 1.864 -3.290 1.00 0.21 H new ATOM 0 HB2 PRO B 29 -19.279 2.499 -5.212 1.00 0.30 H new ATOM 0 HB3 PRO B 29 -19.596 2.003 -3.561 1.00 0.30 H new ATOM 0 HG2 PRO B 29 -19.538 4.753 -4.732 1.00 0.28 H new ATOM 0 HG3 PRO B 29 -20.547 4.116 -3.448 1.00 0.28 H new ATOM 0 HD2 PRO B 29 -18.472 5.739 -2.880 1.00 0.18 H new ATOM 0 HD3 PRO B 29 -18.883 4.418 -1.805 1.00 0.18 H new ATOM 1859 N ALA B 30 -16.650 3.705 -5.916 1.00 0.18 N ATOM 1860 CA ALA B 30 -15.932 3.708 -7.185 1.00 0.16 C ATOM 1861 C ALA B 30 -14.429 3.538 -6.978 1.00 0.10 C ATOM 1862 O ALA B 30 -13.777 2.771 -7.683 1.00 0.05 O ATOM 1863 CB ALA B 30 -16.216 4.994 -7.940 1.00 0.20 C ATOM 0 H ALA B 30 -17.030 4.611 -5.643 1.00 0.18 H new ATOM 0 HA ALA B 30 -16.284 2.860 -7.773 1.00 0.16 H new ATOM 0 HB1 ALA B 30 -15.675 4.987 -8.886 1.00 0.20 H new ATOM 0 HB2 ALA B 30 -17.286 5.074 -8.134 1.00 0.20 H new ATOM 0 HB3 ALA B 30 -15.891 5.846 -7.343 1.00 0.20 H new ATOM 1869 N HIS B 31 -13.890 4.238 -5.987 1.00 0.15 N ATOM 1870 CA HIS B 31 -12.458 4.180 -5.706 1.00 0.13 C ATOM 1871 C HIS B 31 -12.045 2.806 -5.192 1.00 0.07 C ATOM 1872 O HIS B 31 -11.085 2.221 -5.690 1.00 0.05 O ATOM 1873 CB HIS B 31 -12.053 5.264 -4.700 1.00 0.20 C ATOM 1874 CG HIS B 31 -11.866 6.622 -5.318 1.00 0.38 C ATOM 1875 ND1 HIS B 31 -11.351 7.708 -4.635 1.00 0.76 N ATOM 1876 CD2 HIS B 31 -12.132 7.067 -6.571 1.00 1.42 C ATOM 1877 CE1 HIS B 31 -11.310 8.752 -5.441 1.00 0.48 C ATOM 1878 NE2 HIS B 31 -11.777 8.388 -6.619 1.00 1.22 N ATOM 0 H HIS B 31 -14.419 4.850 -5.366 1.00 0.15 H new ATOM 0 HA HIS B 31 -11.936 4.362 -6.645 1.00 0.13 H new ATOM 0 HB2 HIS B 31 -12.815 5.330 -3.923 1.00 0.20 H new ATOM 0 HB3 HIS B 31 -11.125 4.966 -4.212 1.00 0.20 H new ATOM 0 HD1 HIS B 31 -11.050 7.703 -3.660 1.00 0.76 H new ATOM 0 HD2 HIS B 31 -12.547 6.486 -7.381 1.00 1.42 H new ATOM 0 HE1 HIS B 31 -10.954 9.738 -5.180 1.00 0.48 H new ATOM 1887 N ILE B 32 -12.788 2.282 -4.221 1.00 0.08 N ATOM 1888 CA ILE B 32 -12.479 0.970 -3.637 1.00 0.08 C ATOM 1889 C ILE B 32 -12.572 -0.150 -4.675 1.00 0.07 C ATOM 1890 O ILE B 32 -11.881 -1.164 -4.567 1.00 0.14 O ATOM 1891 CB ILE B 32 -13.391 0.640 -2.428 1.00 0.11 C ATOM 1892 CG1 ILE B 32 -14.861 0.542 -2.859 1.00 0.13 C ATOM 1893 CG2 ILE B 32 -13.207 1.687 -1.339 1.00 0.12 C ATOM 1894 CD1 ILE B 32 -15.815 0.177 -1.741 1.00 0.10 C ATOM 0 H ILE B 32 -13.606 2.740 -3.820 1.00 0.08 H new ATOM 0 HA ILE B 32 -11.450 1.032 -3.283 1.00 0.08 H new ATOM 0 HB ILE B 32 -13.103 -0.332 -2.027 1.00 0.11 H new ATOM 0 HG12 ILE B 32 -15.167 1.498 -3.285 1.00 0.13 H new ATOM 0 HG13 ILE B 32 -14.946 -0.202 -3.651 1.00 0.13 H new ATOM 0 HG21 ILE B 32 -13.851 1.449 -0.493 1.00 0.12 H new ATOM 0 HG22 ILE B 32 -12.167 1.694 -1.013 1.00 0.12 H new ATOM 0 HG23 ILE B 32 -13.471 2.669 -1.730 1.00 0.12 H new ATOM 0 HD11 ILE B 32 -16.832 0.129 -2.131 1.00 0.10 H new ATOM 0 HD12 ILE B 32 -15.538 -0.793 -1.329 1.00 0.10 H new ATOM 0 HD13 ILE B 32 -15.763 0.932 -0.957 1.00 0.10 H new ATOM 1906 N ARG B 33 -13.413 0.043 -5.686 1.00 0.07 N ATOM 1907 CA ARG B 33 -13.577 -0.946 -6.749 1.00 0.05 C ATOM 1908 C ARG B 33 -12.340 -0.992 -7.638 1.00 0.04 C ATOM 1909 O ARG B 33 -11.946 -2.054 -8.126 1.00 0.05 O ATOM 1910 CB ARG B 33 -14.797 -0.614 -7.609 1.00 0.07 C ATOM 1911 CG ARG B 33 -16.093 -1.229 -7.111 1.00 0.59 C ATOM 1912 CD ARG B 33 -17.283 -0.716 -7.910 1.00 0.36 C ATOM 1913 NE ARG B 33 -17.053 -0.805 -9.354 1.00 0.42 N ATOM 1914 CZ ARG B 33 -17.401 0.142 -10.228 1.00 0.84 C ATOM 1915 NH1 ARG B 33 -18.010 1.249 -9.819 1.00 1.03 N1+ ATOM 1916 NH2 ARG B 33 -17.143 -0.025 -11.519 1.00 1.46 N ATOM 0 H ARG B 33 -13.993 0.876 -5.793 1.00 0.07 H new ATOM 0 HA ARG B 33 -13.719 -1.919 -6.278 1.00 0.05 H new ATOM 0 HB2 ARG B 33 -14.914 0.469 -7.652 1.00 0.07 H new ATOM 0 HB3 ARG B 33 -14.614 -0.955 -8.628 1.00 0.07 H new ATOM 0 HG2 ARG B 33 -16.038 -2.315 -7.190 1.00 0.59 H new ATOM 0 HG3 ARG B 33 -16.230 -0.993 -6.056 1.00 0.59 H new ATOM 0 HD2 ARG B 33 -18.171 -1.291 -7.648 1.00 0.36 H new ATOM 0 HD3 ARG B 33 -17.483 0.320 -7.638 1.00 0.36 H new ATOM 0 HE ARG B 33 -16.598 -1.644 -9.714 1.00 0.42 H new ATOM 0 HH11 ARG B 33 -18.216 1.382 -8.829 1.00 1.03 H new ATOM 0 HH12 ARG B 33 -18.272 1.967 -10.495 1.00 1.03 H new ATOM 0 HH21 ARG B 33 -16.680 -0.875 -11.841 1.00 1.46 H new ATOM 0 HH22 ARG B 33 -17.408 0.697 -12.189 1.00 1.46 H new ATOM 1930 N LEU B 34 -11.726 0.165 -7.822 1.00 0.06 N ATOM 1931 CA LEU B 34 -10.545 0.289 -8.668 1.00 0.09 C ATOM 1932 C LEU B 34 -9.278 -0.160 -7.932 1.00 0.08 C ATOM 1933 O LEU B 34 -8.305 -0.576 -8.563 1.00 0.12 O ATOM 1934 CB LEU B 34 -10.410 1.735 -9.176 1.00 0.12 C ATOM 1935 CG LEU B 34 -8.999 2.322 -9.163 1.00 0.10 C ATOM 1936 CD1 LEU B 34 -8.598 2.766 -10.560 1.00 0.09 C ATOM 1937 CD2 LEU B 34 -8.921 3.487 -8.189 1.00 0.14 C ATOM 0 H LEU B 34 -12.027 1.040 -7.394 1.00 0.06 H new ATOM 0 HA LEU B 34 -10.668 -0.371 -9.526 1.00 0.09 H new ATOM 0 HB2 LEU B 34 -10.790 1.777 -10.197 1.00 0.12 H new ATOM 0 HB3 LEU B 34 -11.053 2.373 -8.570 1.00 0.12 H new ATOM 0 HG LEU B 34 -8.303 1.550 -8.834 1.00 0.10 H new ATOM 0 HD11 LEU B 34 -7.591 3.182 -10.535 1.00 0.09 H new ATOM 0 HD12 LEU B 34 -8.620 1.910 -11.234 1.00 0.09 H new ATOM 0 HD13 LEU B 34 -9.295 3.525 -10.915 1.00 0.09 H new ATOM 0 HD21 LEU B 34 -7.910 3.895 -8.190 1.00 0.14 H new ATOM 0 HD22 LEU B 34 -9.626 4.262 -8.491 1.00 0.14 H new ATOM 0 HD23 LEU B 34 -9.171 3.140 -7.186 1.00 0.14 H new ATOM 1949 N VAL B 35 -9.306 -0.093 -6.601 1.00 0.05 N ATOM 1950 CA VAL B 35 -8.158 -0.492 -5.783 1.00 0.08 C ATOM 1951 C VAL B 35 -7.741 -1.929 -6.087 1.00 0.08 C ATOM 1952 O VAL B 35 -6.551 -2.249 -6.128 1.00 0.11 O ATOM 1953 CB VAL B 35 -8.460 -0.365 -4.272 1.00 0.09 C ATOM 1954 CG1 VAL B 35 -7.261 -0.795 -3.443 1.00 0.14 C ATOM 1955 CG2 VAL B 35 -8.849 1.062 -3.925 1.00 0.09 C ATOM 0 H VAL B 35 -10.110 0.234 -6.065 1.00 0.05 H new ATOM 0 HA VAL B 35 -7.343 0.186 -6.037 1.00 0.08 H new ATOM 0 HB VAL B 35 -9.296 -1.024 -4.038 1.00 0.09 H new ATOM 0 HG11 VAL B 35 -7.497 -0.697 -2.383 1.00 0.14 H new ATOM 0 HG12 VAL B 35 -7.018 -1.834 -3.666 1.00 0.14 H new ATOM 0 HG13 VAL B 35 -6.406 -0.163 -3.684 1.00 0.14 H new ATOM 0 HG21 VAL B 35 -9.058 1.133 -2.858 1.00 0.09 H new ATOM 0 HG22 VAL B 35 -8.030 1.735 -4.180 1.00 0.09 H new ATOM 0 HG23 VAL B 35 -9.739 1.344 -4.488 1.00 0.09 H new ATOM 1965 N ALA B 36 -8.729 -2.782 -6.320 1.00 0.07 N ATOM 1966 CA ALA B 36 -8.481 -4.185 -6.623 1.00 0.07 C ATOM 1967 C ALA B 36 -7.640 -4.337 -7.886 1.00 0.09 C ATOM 1968 O ALA B 36 -6.660 -5.079 -7.906 1.00 0.09 O ATOM 1969 CB ALA B 36 -9.799 -4.921 -6.774 1.00 0.08 C ATOM 0 H ALA B 36 -9.716 -2.525 -6.305 1.00 0.07 H new ATOM 0 HA ALA B 36 -7.920 -4.620 -5.796 1.00 0.07 H new ATOM 0 HB1 ALA B 36 -9.606 -5.970 -7.001 1.00 0.08 H new ATOM 0 HB2 ALA B 36 -10.365 -4.848 -5.845 1.00 0.08 H new ATOM 0 HB3 ALA B 36 -10.374 -4.474 -7.585 1.00 0.08 H new ATOM 1975 N ALA B 37 -8.017 -3.608 -8.931 1.00 0.12 N ATOM 1976 CA ALA B 37 -7.304 -3.658 -10.202 1.00 0.15 C ATOM 1977 C ALA B 37 -5.905 -3.066 -10.061 1.00 0.17 C ATOM 1978 O ALA B 37 -4.978 -3.453 -10.777 1.00 0.19 O ATOM 1979 CB ALA B 37 -8.091 -2.923 -11.278 1.00 0.21 C ATOM 0 H ALA B 37 -8.815 -2.973 -8.922 1.00 0.12 H new ATOM 0 HA ALA B 37 -7.201 -4.702 -10.499 1.00 0.15 H new ATOM 0 HB1 ALA B 37 -7.547 -2.968 -12.222 1.00 0.21 H new ATOM 0 HB2 ALA B 37 -9.067 -3.392 -11.399 1.00 0.21 H new ATOM 0 HB3 ALA B 37 -8.223 -1.881 -10.985 1.00 0.21 H new ATOM 1985 N PHE B 38 -5.761 -2.129 -9.130 1.00 0.16 N ATOM 1986 CA PHE B 38 -4.482 -1.477 -8.879 1.00 0.18 C ATOM 1987 C PHE B 38 -3.480 -2.483 -8.313 1.00 0.15 C ATOM 1988 O PHE B 38 -2.323 -2.534 -8.735 1.00 0.16 O ATOM 1989 CB PHE B 38 -4.674 -0.302 -7.914 1.00 0.23 C ATOM 1990 CG PHE B 38 -3.406 0.426 -7.564 1.00 0.20 C ATOM 1991 CD1 PHE B 38 -2.660 1.061 -8.545 1.00 0.28 C ATOM 1992 CD2 PHE B 38 -2.962 0.476 -6.250 1.00 0.37 C ATOM 1993 CE1 PHE B 38 -1.497 1.734 -8.223 1.00 0.27 C ATOM 1994 CE2 PHE B 38 -1.799 1.148 -5.922 1.00 0.36 C ATOM 1995 CZ PHE B 38 -1.065 1.778 -6.910 1.00 0.14 C ATOM 0 H PHE B 38 -6.521 -1.803 -8.533 1.00 0.16 H new ATOM 0 HA PHE B 38 -4.087 -1.092 -9.819 1.00 0.18 H new ATOM 0 HB2 PHE B 38 -5.375 0.406 -8.357 1.00 0.23 H new ATOM 0 HB3 PHE B 38 -5.132 -0.672 -6.996 1.00 0.23 H new ATOM 0 HD1 PHE B 38 -2.992 1.029 -9.572 1.00 0.28 H new ATOM 0 HD2 PHE B 38 -3.531 -0.016 -5.475 1.00 0.37 H new ATOM 0 HE1 PHE B 38 -0.926 2.226 -8.996 1.00 0.27 H new ATOM 0 HE2 PHE B 38 -1.464 1.181 -4.896 1.00 0.36 H new ATOM 0 HZ PHE B 38 -0.156 2.303 -6.657 1.00 0.14 H new ATOM 2005 N VAL B 39 -3.942 -3.289 -7.366 1.00 0.14 N ATOM 2006 CA VAL B 39 -3.098 -4.308 -6.752 1.00 0.14 C ATOM 2007 C VAL B 39 -2.853 -5.447 -7.735 1.00 0.14 C ATOM 2008 O VAL B 39 -1.743 -5.977 -7.824 1.00 0.19 O ATOM 2009 CB VAL B 39 -3.726 -4.863 -5.456 1.00 0.15 C ATOM 2010 CG1 VAL B 39 -2.816 -5.901 -4.808 1.00 0.15 C ATOM 2011 CG2 VAL B 39 -4.017 -3.729 -4.486 1.00 0.22 C ATOM 0 H VAL B 39 -4.896 -3.258 -7.006 1.00 0.14 H new ATOM 0 HA VAL B 39 -2.149 -3.838 -6.492 1.00 0.14 H new ATOM 0 HB VAL B 39 -4.664 -5.354 -5.714 1.00 0.15 H new ATOM 0 HG11 VAL B 39 -3.282 -6.276 -3.897 1.00 0.15 H new ATOM 0 HG12 VAL B 39 -2.656 -6.728 -5.500 1.00 0.15 H new ATOM 0 HG13 VAL B 39 -1.858 -5.443 -4.563 1.00 0.15 H new ATOM 0 HG21 VAL B 39 -4.460 -4.133 -3.576 1.00 0.22 H new ATOM 0 HG22 VAL B 39 -3.089 -3.213 -4.240 1.00 0.22 H new ATOM 0 HG23 VAL B 39 -4.711 -3.026 -4.946 1.00 0.22 H new ATOM 2021 N ASP B 40 -3.899 -5.797 -8.482 1.00 0.14 N ATOM 2022 CA ASP B 40 -3.830 -6.858 -9.482 1.00 0.21 C ATOM 2023 C ASP B 40 -2.702 -6.583 -10.472 1.00 0.27 C ATOM 2024 O ASP B 40 -1.908 -7.468 -10.792 1.00 0.34 O ATOM 2025 CB ASP B 40 -5.172 -6.959 -10.218 1.00 0.21 C ATOM 2026 CG ASP B 40 -5.193 -8.030 -11.292 1.00 0.33 C ATOM 2027 OD1 ASP B 40 -4.734 -7.752 -12.422 1.00 0.47 O ATOM 2028 OD2 ASP B 40 -5.699 -9.139 -11.017 1.00 0.32 O1- ATOM 0 H ASP B 40 -4.815 -5.354 -8.410 1.00 0.14 H new ATOM 0 HA ASP B 40 -3.624 -7.805 -8.983 1.00 0.21 H new ATOM 0 HB2 ASP B 40 -5.960 -7.166 -9.494 1.00 0.21 H new ATOM 0 HB3 ASP B 40 -5.402 -5.995 -10.672 1.00 0.21 H new ATOM 2033 N ASP B 41 -2.621 -5.337 -10.923 1.00 0.28 N ATOM 2034 CA ASP B 41 -1.599 -4.924 -11.877 1.00 0.37 C ATOM 2035 C ASP B 41 -0.205 -4.940 -11.252 1.00 0.32 C ATOM 2036 O ASP B 41 0.759 -5.409 -11.864 1.00 0.32 O ATOM 2037 CB ASP B 41 -1.913 -3.522 -12.408 1.00 0.46 C ATOM 2038 CG ASP B 41 -0.778 -2.939 -13.224 1.00 0.78 C ATOM 2039 OD1 ASP B 41 -0.512 -3.456 -14.331 1.00 1.11 O1- ATOM 2040 OD2 ASP B 41 -0.157 -1.957 -12.771 1.00 0.92 O ATOM 0 H ASP B 41 -3.256 -4.590 -10.641 1.00 0.28 H new ATOM 0 HA ASP B 41 -1.606 -5.638 -12.701 1.00 0.37 H new ATOM 0 HB2 ASP B 41 -2.813 -3.563 -13.022 1.00 0.46 H new ATOM 0 HB3 ASP B 41 -2.130 -2.860 -11.569 1.00 0.46 H new ATOM 2045 N LYS B 42 -0.108 -4.448 -10.026 1.00 0.28 N ATOM 2046 CA LYS B 42 1.168 -4.386 -9.329 1.00 0.24 C ATOM 2047 C LYS B 42 1.744 -5.778 -9.077 1.00 0.20 C ATOM 2048 O LYS B 42 2.916 -6.020 -9.353 1.00 0.18 O ATOM 2049 CB LYS B 42 1.029 -3.621 -8.013 1.00 0.24 C ATOM 2050 CG LYS B 42 1.054 -2.106 -8.184 1.00 0.21 C ATOM 2051 CD LYS B 42 2.253 -1.472 -7.492 1.00 0.40 C ATOM 2052 CE LYS B 42 3.569 -1.916 -8.116 1.00 0.55 C ATOM 2053 NZ LYS B 42 4.494 -0.773 -8.340 1.00 0.48 N1+ ATOM 0 H LYS B 42 -0.898 -4.086 -9.493 1.00 0.28 H new ATOM 0 HA LYS B 42 1.865 -3.851 -9.974 1.00 0.24 H new ATOM 0 HB2 LYS B 42 0.094 -3.909 -7.532 1.00 0.24 H new ATOM 0 HB3 LYS B 42 1.837 -3.916 -7.343 1.00 0.24 H new ATOM 0 HG2 LYS B 42 1.078 -1.862 -9.246 1.00 0.21 H new ATOM 0 HG3 LYS B 42 0.136 -1.681 -7.780 1.00 0.21 H new ATOM 0 HD2 LYS B 42 2.173 -0.386 -7.548 1.00 0.40 H new ATOM 0 HD3 LYS B 42 2.245 -1.738 -6.435 1.00 0.40 H new ATOM 0 HE2 LYS B 42 4.049 -2.649 -7.467 1.00 0.55 H new ATOM 0 HE3 LYS B 42 3.370 -2.413 -9.066 1.00 0.55 H new ATOM 0 HZ1 LYS B 42 5.377 -1.120 -8.766 1.00 0.48 H new ATOM 0 HZ2 LYS B 42 4.048 -0.085 -8.980 1.00 0.48 H new ATOM 0 HZ3 LYS B 42 4.705 -0.314 -7.431 1.00 0.48 H new ATOM 2067 N MET B 43 0.927 -6.697 -8.575 1.00 0.21 N ATOM 2068 CA MET B 43 1.401 -8.049 -8.297 1.00 0.19 C ATOM 2069 C MET B 43 1.611 -8.826 -9.598 1.00 0.17 C ATOM 2070 O MET B 43 2.319 -9.834 -9.626 1.00 0.18 O ATOM 2071 CB MET B 43 0.434 -8.793 -7.365 1.00 0.24 C ATOM 2072 CG MET B 43 -0.904 -9.147 -7.995 1.00 0.25 C ATOM 2073 SD MET B 43 -2.056 -9.866 -6.807 1.00 0.31 S ATOM 2074 CE MET B 43 -1.080 -11.227 -6.161 1.00 0.24 C ATOM 0 H MET B 43 -0.055 -6.535 -8.354 1.00 0.21 H new ATOM 0 HA MET B 43 2.361 -7.971 -7.787 1.00 0.19 H new ATOM 0 HB2 MET B 43 0.913 -9.710 -7.022 1.00 0.24 H new ATOM 0 HB3 MET B 43 0.254 -8.178 -6.483 1.00 0.24 H new ATOM 0 HG2 MET B 43 -1.347 -8.250 -8.429 1.00 0.25 H new ATOM 0 HG3 MET B 43 -0.743 -9.850 -8.812 1.00 0.25 H new ATOM 0 HE1 MET B 43 -1.743 -12.033 -5.846 1.00 0.24 H new ATOM 0 HE2 MET B 43 -0.407 -11.593 -6.937 1.00 0.24 H new ATOM 0 HE3 MET B 43 -0.496 -10.883 -5.307 1.00 0.24 H new ATOM 2084 N HIS B 44 0.997 -8.343 -10.676 1.00 0.16 N ATOM 2085 CA HIS B 44 1.125 -8.975 -11.983 1.00 0.19 C ATOM 2086 C HIS B 44 2.551 -8.816 -12.499 1.00 0.25 C ATOM 2087 O HIS B 44 3.188 -9.789 -12.898 1.00 0.61 O ATOM 2088 CB HIS B 44 0.130 -8.362 -12.975 1.00 0.26 C ATOM 2089 CG HIS B 44 0.098 -9.039 -14.313 1.00 0.47 C ATOM 2090 ND1 HIS B 44 0.627 -8.475 -15.455 1.00 0.54 N ATOM 2091 CD2 HIS B 44 -0.412 -10.234 -14.690 1.00 1.09 C ATOM 2092 CE1 HIS B 44 0.440 -9.293 -16.473 1.00 1.18 C ATOM 2093 NE2 HIS B 44 -0.189 -10.366 -16.036 1.00 1.53 N ATOM 0 H HIS B 44 0.404 -7.513 -10.668 1.00 0.16 H new ATOM 0 HA HIS B 44 0.900 -10.037 -11.883 1.00 0.19 H new ATOM 0 HB2 HIS B 44 -0.868 -8.397 -12.539 1.00 0.26 H new ATOM 0 HB3 HIS B 44 0.379 -7.310 -13.118 1.00 0.26 H new ATOM 0 HD2 HIS B 44 -0.904 -10.951 -14.049 1.00 1.09 H new ATOM 0 HE1 HIS B 44 0.750 -9.114 -17.492 1.00 1.18 H new ATOM 0 HE2 HIS B 44 -0.465 -11.165 -16.607 1.00 1.53 H new ATOM 2102 N GLU B 45 3.062 -7.588 -12.463 1.00 0.14 N ATOM 2103 CA GLU B 45 4.419 -7.315 -12.928 1.00 0.11 C ATOM 2104 C GLU B 45 5.448 -7.895 -11.954 1.00 0.07 C ATOM 2105 O GLU B 45 6.626 -8.065 -12.290 1.00 0.03 O ATOM 2106 CB GLU B 45 4.643 -5.807 -13.112 1.00 0.10 C ATOM 2107 CG GLU B 45 4.514 -4.999 -11.825 1.00 0.07 C ATOM 2108 CD GLU B 45 5.749 -4.164 -11.532 1.00 0.22 C ATOM 2109 OE1 GLU B 45 6.876 -4.659 -11.739 1.00 0.43 O1- ATOM 2110 OE2 GLU B 45 5.596 -3.005 -11.091 1.00 0.49 O ATOM 0 H GLU B 45 2.560 -6.770 -12.118 1.00 0.14 H new ATOM 0 HA GLU B 45 4.548 -7.798 -13.897 1.00 0.11 H new ATOM 0 HB2 GLU B 45 5.636 -5.646 -13.532 1.00 0.10 H new ATOM 0 HB3 GLU B 45 3.924 -5.429 -13.839 1.00 0.10 H new ATOM 0 HG2 GLU B 45 3.646 -4.344 -11.897 1.00 0.07 H new ATOM 0 HG3 GLU B 45 4.333 -5.677 -10.991 1.00 0.07 H new ATOM 2117 N PHE B 46 4.996 -8.217 -10.748 1.00 0.11 N ATOM 2118 CA PHE B 46 5.872 -8.792 -9.739 1.00 0.10 C ATOM 2119 C PHE B 46 6.095 -10.272 -10.017 1.00 0.10 C ATOM 2120 O PHE B 46 7.099 -10.850 -9.597 1.00 0.11 O ATOM 2121 CB PHE B 46 5.298 -8.583 -8.342 1.00 0.11 C ATOM 2122 CG PHE B 46 5.744 -7.295 -7.704 1.00 0.13 C ATOM 2123 CD1 PHE B 46 5.849 -6.132 -8.453 1.00 0.14 C ATOM 2124 CD2 PHE B 46 6.061 -7.248 -6.358 1.00 0.16 C ATOM 2125 CE1 PHE B 46 6.259 -4.950 -7.868 1.00 0.14 C ATOM 2126 CE2 PHE B 46 6.471 -6.066 -5.769 1.00 0.17 C ATOM 2127 CZ PHE B 46 6.569 -4.919 -6.524 1.00 0.15 C ATOM 0 H PHE B 46 4.030 -8.089 -10.447 1.00 0.11 H new ATOM 0 HA PHE B 46 6.835 -8.283 -9.785 1.00 0.10 H new ATOM 0 HB2 PHE B 46 4.210 -8.595 -8.398 1.00 0.11 H new ATOM 0 HB3 PHE B 46 5.594 -9.417 -7.706 1.00 0.11 H new ATOM 0 HD1 PHE B 46 5.607 -6.151 -9.505 1.00 0.14 H new ATOM 0 HD2 PHE B 46 5.987 -8.145 -5.761 1.00 0.16 H new ATOM 0 HE1 PHE B 46 6.337 -4.051 -8.462 1.00 0.14 H new ATOM 0 HE2 PHE B 46 6.714 -6.043 -4.717 1.00 0.17 H new ATOM 0 HZ PHE B 46 6.888 -3.995 -6.064 1.00 0.15 H new ATOM 2137 N SER B 47 5.170 -10.872 -10.756 1.00 0.09 N ATOM 2138 CA SER B 47 5.270 -12.281 -11.114 1.00 0.10 C ATOM 2139 C SER B 47 6.460 -12.506 -12.051 1.00 0.09 C ATOM 2140 O SER B 47 6.934 -13.627 -12.222 1.00 0.13 O ATOM 2141 CB SER B 47 3.966 -12.752 -11.765 1.00 0.13 C ATOM 2142 OG SER B 47 2.842 -12.410 -10.961 1.00 0.49 O ATOM 0 H SER B 47 4.340 -10.403 -11.120 1.00 0.09 H new ATOM 0 HA SER B 47 5.433 -12.867 -10.209 1.00 0.10 H new ATOM 0 HB2 SER B 47 3.863 -12.299 -12.751 1.00 0.13 H new ATOM 0 HB3 SER B 47 3.998 -13.832 -11.912 1.00 0.13 H new ATOM 0 HG SER B 47 2.108 -13.034 -11.142 1.00 0.49 H new ATOM 2148 N GLU B 48 6.948 -11.417 -12.637 1.00 0.13 N ATOM 2149 CA GLU B 48 8.094 -11.464 -13.533 1.00 0.12 C ATOM 2150 C GLU B 48 9.390 -11.334 -12.728 1.00 0.09 C ATOM 2151 O GLU B 48 10.478 -11.651 -13.211 1.00 0.07 O ATOM 2152 CB GLU B 48 7.993 -10.325 -14.555 1.00 0.15 C ATOM 2153 CG GLU B 48 9.047 -10.377 -15.651 1.00 0.17 C ATOM 2154 CD GLU B 48 8.780 -11.465 -16.669 1.00 0.71 C ATOM 2155 OE1 GLU B 48 7.694 -11.456 -17.283 1.00 1.67 O ATOM 2156 OE2 GLU B 48 9.659 -12.329 -16.869 1.00 0.76 O1- ATOM 0 H GLU B 48 6.561 -10.483 -12.504 1.00 0.13 H new ATOM 0 HA GLU B 48 8.102 -12.418 -14.060 1.00 0.12 H new ATOM 0 HB2 GLU B 48 7.005 -10.351 -15.015 1.00 0.15 H new ATOM 0 HB3 GLU B 48 8.076 -9.373 -14.031 1.00 0.15 H new ATOM 0 HG2 GLU B 48 9.086 -9.413 -16.158 1.00 0.17 H new ATOM 0 HG3 GLU B 48 10.026 -10.540 -15.200 1.00 0.17 H new ATOM 2163 N LYS B 49 9.254 -10.889 -11.482 1.00 0.10 N ATOM 2164 CA LYS B 49 10.405 -10.699 -10.605 1.00 0.10 C ATOM 2165 C LYS B 49 10.808 -12.025 -9.970 1.00 0.15 C ATOM 2166 O LYS B 49 11.965 -12.430 -10.053 1.00 0.23 O ATOM 2167 CB LYS B 49 10.086 -9.670 -9.509 1.00 0.09 C ATOM 2168 CG LYS B 49 9.470 -8.375 -10.024 1.00 0.12 C ATOM 2169 CD LYS B 49 10.507 -7.445 -10.636 1.00 0.05 C ATOM 2170 CE LYS B 49 9.882 -6.125 -11.064 1.00 1.11 C ATOM 2171 NZ LYS B 49 8.887 -6.304 -12.157 1.00 1.14 N1+ ATOM 0 H LYS B 49 8.357 -10.653 -11.057 1.00 0.10 H new ATOM 0 HA LYS B 49 11.235 -10.324 -11.204 1.00 0.10 H new ATOM 0 HB2 LYS B 49 9.403 -10.123 -8.790 1.00 0.09 H new ATOM 0 HB3 LYS B 49 11.004 -9.433 -8.971 1.00 0.09 H new ATOM 0 HG2 LYS B 49 8.710 -8.608 -10.769 1.00 0.12 H new ATOM 0 HG3 LYS B 49 8.966 -7.864 -9.204 1.00 0.12 H new ATOM 0 HD2 LYS B 49 11.301 -7.256 -9.913 1.00 0.05 H new ATOM 0 HD3 LYS B 49 10.968 -7.928 -11.498 1.00 0.05 H new ATOM 0 HE2 LYS B 49 9.397 -5.659 -10.206 1.00 1.11 H new ATOM 0 HE3 LYS B 49 10.666 -5.444 -11.396 1.00 1.11 H new ATOM 0 HZ1 LYS B 49 8.354 -5.421 -12.290 1.00 1.14 H new ATOM 0 HZ2 LYS B 49 9.381 -6.547 -13.040 1.00 1.14 H new ATOM 0 HZ3 LYS B 49 8.230 -7.070 -11.906 1.00 1.14 H new ATOM 2185 N GLN B 50 9.833 -12.691 -9.347 1.00 0.20 N ATOM 2186 CA GLN B 50 10.045 -13.982 -8.689 1.00 0.30 C ATOM 2187 C GLN B 50 11.133 -13.909 -7.612 1.00 0.13 C ATOM 2188 O GLN B 50 12.299 -14.201 -7.876 1.00 0.29 O ATOM 2189 CB GLN B 50 10.387 -15.055 -9.728 1.00 0.53 C ATOM 2190 CG GLN B 50 9.265 -15.301 -10.725 1.00 1.05 C ATOM 2191 CD GLN B 50 9.770 -15.690 -12.100 1.00 1.30 C ATOM 2192 OE1 GLN B 50 10.828 -16.311 -12.241 1.00 1.37 O ATOM 2193 NE2 GLN B 50 9.018 -15.324 -13.124 1.00 1.60 N ATOM 0 H GLN B 50 8.874 -12.350 -9.285 1.00 0.20 H new ATOM 0 HA GLN B 50 9.115 -14.252 -8.188 1.00 0.30 H new ATOM 0 HB2 GLN B 50 11.285 -14.756 -10.268 1.00 0.53 H new ATOM 0 HB3 GLN B 50 10.620 -15.988 -9.215 1.00 0.53 H new ATOM 0 HG2 GLN B 50 8.616 -16.090 -10.346 1.00 1.05 H new ATOM 0 HG3 GLN B 50 8.657 -14.400 -10.809 1.00 1.05 H new ATOM 0 HE21 GLN B 50 8.151 -14.812 -12.963 1.00 1.60 H new ATOM 0 HE22 GLN B 50 9.305 -15.554 -14.075 1.00 1.60 H new ATOM 2202 N PRO B 51 10.768 -13.504 -6.380 1.00 0.16 N ATOM 2203 CA PRO B 51 11.725 -13.406 -5.276 1.00 0.27 C ATOM 2204 C PRO B 51 12.054 -14.773 -4.670 1.00 0.20 C ATOM 2205 O PRO B 51 13.217 -15.095 -4.435 1.00 0.19 O ATOM 2206 CB PRO B 51 11.010 -12.515 -4.259 1.00 0.48 C ATOM 2207 CG PRO B 51 9.553 -12.687 -4.532 1.00 0.51 C ATOM 2208 CD PRO B 51 9.412 -13.084 -5.981 1.00 0.41 C ATOM 0 HA PRO B 51 12.685 -13.006 -5.601 1.00 0.27 H new ATOM 0 HB2 PRO B 51 11.255 -12.809 -3.239 1.00 0.48 H new ATOM 0 HB3 PRO B 51 11.310 -11.473 -4.371 1.00 0.48 H new ATOM 0 HG2 PRO B 51 9.128 -13.451 -3.881 1.00 0.51 H new ATOM 0 HG3 PRO B 51 9.013 -11.761 -4.333 1.00 0.51 H new ATOM 0 HD2 PRO B 51 8.693 -13.894 -6.103 1.00 0.41 H new ATOM 0 HD3 PRO B 51 9.059 -12.251 -6.589 1.00 0.41 H new ATOM 2216 N MET B 52 11.018 -15.561 -4.403 1.00 0.17 N ATOM 2217 CA MET B 52 11.186 -16.895 -3.837 1.00 0.11 C ATOM 2218 C MET B 52 10.316 -17.900 -4.590 1.00 0.09 C ATOM 2219 O MET B 52 10.068 -19.002 -4.099 1.00 0.08 O ATOM 2220 CB MET B 52 10.796 -16.910 -2.354 1.00 0.12 C ATOM 2221 CG MET B 52 11.798 -16.232 -1.429 1.00 0.18 C ATOM 2222 SD MET B 52 11.339 -16.390 0.307 1.00 0.26 S ATOM 2223 CE MET B 52 12.665 -15.478 1.093 1.00 0.43 C ATOM 0 H MET B 52 10.047 -15.297 -4.571 1.00 0.17 H new ATOM 0 HA MET B 52 12.236 -17.171 -3.933 1.00 0.11 H new ATOM 0 HB2 MET B 52 9.828 -16.421 -2.241 1.00 0.12 H new ATOM 0 HB3 MET B 52 10.669 -17.945 -2.035 1.00 0.12 H new ATOM 0 HG2 MET B 52 12.785 -16.668 -1.583 1.00 0.18 H new ATOM 0 HG3 MET B 52 11.872 -15.176 -1.689 1.00 0.18 H new ATOM 0 HE1 MET B 52 12.392 -15.255 2.125 1.00 0.43 H new ATOM 0 HE2 MET B 52 13.576 -16.076 1.080 1.00 0.43 H new ATOM 0 HE3 MET B 52 12.835 -14.546 0.554 1.00 0.43 H new ATOM 2233 N LEU B 53 9.877 -17.511 -5.790 1.00 0.10 N ATOM 2234 CA LEU B 53 9.007 -18.341 -6.628 1.00 0.11 C ATOM 2235 C LEU B 53 7.831 -18.898 -5.830 1.00 0.08 C ATOM 2236 O LEU B 53 7.585 -20.103 -5.821 1.00 0.10 O ATOM 2237 CB LEU B 53 9.802 -19.481 -7.277 1.00 0.19 C ATOM 2238 CG LEU B 53 10.486 -19.126 -8.595 1.00 0.25 C ATOM 2239 CD1 LEU B 53 11.548 -20.155 -8.930 1.00 0.62 C ATOM 2240 CD2 LEU B 53 9.468 -19.033 -9.721 1.00 1.07 C ATOM 0 H LEU B 53 10.115 -16.612 -6.208 1.00 0.10 H new ATOM 0 HA LEU B 53 8.606 -17.705 -7.417 1.00 0.11 H new ATOM 0 HB2 LEU B 53 10.561 -19.821 -6.572 1.00 0.19 H new ATOM 0 HB3 LEU B 53 9.128 -20.320 -7.450 1.00 0.19 H new ATOM 0 HG LEU B 53 10.963 -18.153 -8.483 1.00 0.25 H new ATOM 0 HD11 LEU B 53 12.028 -19.889 -9.872 1.00 0.62 H new ATOM 0 HD12 LEU B 53 12.295 -20.178 -8.137 1.00 0.62 H new ATOM 0 HD13 LEU B 53 11.086 -21.138 -9.022 1.00 0.62 H new ATOM 0 HD21 LEU B 53 9.976 -18.779 -10.651 1.00 1.07 H new ATOM 0 HD22 LEU B 53 8.962 -19.992 -9.834 1.00 1.07 H new ATOM 0 HD23 LEU B 53 8.735 -18.261 -9.486 1.00 1.07 H new ATOM 2252 N ASP B 54 7.099 -18.012 -5.166 1.00 0.09 N ATOM 2253 CA ASP B 54 5.958 -18.425 -4.364 1.00 0.12 C ATOM 2254 C ASP B 54 4.917 -17.319 -4.297 1.00 0.10 C ATOM 2255 O ASP B 54 5.261 -16.134 -4.312 1.00 0.18 O ATOM 2256 CB ASP B 54 6.404 -18.804 -2.953 1.00 0.19 C ATOM 2257 CG ASP B 54 5.482 -19.815 -2.301 1.00 0.24 C ATOM 2258 OD1 ASP B 54 4.440 -20.152 -2.899 1.00 0.28 O1- ATOM 2259 OD2 ASP B 54 5.803 -20.281 -1.189 1.00 0.26 O ATOM 0 H ASP B 54 7.275 -17.007 -5.168 1.00 0.09 H new ATOM 0 HA ASP B 54 5.510 -19.297 -4.840 1.00 0.12 H new ATOM 0 HB2 ASP B 54 7.414 -19.212 -2.993 1.00 0.19 H new ATOM 0 HB3 ASP B 54 6.447 -17.906 -2.336 1.00 0.19 H new ATOM 2264 N VAL B 55 3.659 -17.715 -4.212 1.00 0.11 N ATOM 2265 CA VAL B 55 2.542 -16.776 -4.156 1.00 0.12 C ATOM 2266 C VAL B 55 2.576 -15.870 -2.910 1.00 0.08 C ATOM 2267 O VAL B 55 2.519 -14.644 -3.044 1.00 0.04 O ATOM 2268 CB VAL B 55 1.185 -17.510 -4.218 1.00 0.17 C ATOM 2269 CG1 VAL B 55 0.036 -16.518 -4.353 1.00 0.08 C ATOM 2270 CG2 VAL B 55 1.169 -18.507 -5.364 1.00 0.32 C ATOM 0 H VAL B 55 3.379 -18.695 -4.180 1.00 0.11 H new ATOM 0 HA VAL B 55 2.652 -16.139 -5.033 1.00 0.12 H new ATOM 0 HB VAL B 55 1.052 -18.057 -3.284 1.00 0.17 H new ATOM 0 HG11 VAL B 55 -0.909 -17.059 -4.395 1.00 0.08 H new ATOM 0 HG12 VAL B 55 0.032 -15.847 -3.494 1.00 0.08 H new ATOM 0 HG13 VAL B 55 0.162 -15.937 -5.267 1.00 0.08 H new ATOM 0 HG21 VAL B 55 0.205 -19.014 -5.391 1.00 0.32 H new ATOM 0 HG22 VAL B 55 1.330 -17.982 -6.305 1.00 0.32 H new ATOM 0 HG23 VAL B 55 1.961 -19.241 -5.218 1.00 0.32 H new ATOM 2280 N PRO B 56 2.684 -16.432 -1.678 1.00 0.10 N ATOM 2281 CA PRO B 56 2.689 -15.622 -0.450 1.00 0.10 C ATOM 2282 C PRO B 56 3.882 -14.672 -0.362 1.00 0.07 C ATOM 2283 O PRO B 56 3.780 -13.592 0.220 1.00 0.14 O ATOM 2284 CB PRO B 56 2.756 -16.658 0.679 1.00 0.14 C ATOM 2285 CG PRO B 56 3.306 -17.886 0.045 1.00 0.15 C ATOM 2286 CD PRO B 56 2.815 -17.874 -1.375 1.00 0.14 C ATOM 0 HA PRO B 56 1.812 -14.977 -0.406 1.00 0.10 H new ATOM 0 HB2 PRO B 56 3.395 -16.314 1.492 1.00 0.14 H new ATOM 0 HB3 PRO B 56 1.769 -16.842 1.105 1.00 0.14 H new ATOM 0 HG2 PRO B 56 4.395 -17.889 0.081 1.00 0.15 H new ATOM 0 HG3 PRO B 56 2.967 -18.780 0.568 1.00 0.15 H new ATOM 0 HD2 PRO B 56 3.519 -18.364 -2.048 1.00 0.14 H new ATOM 0 HD3 PRO B 56 1.862 -18.394 -1.476 1.00 0.14 H new ATOM 2294 N LYS B 57 4.998 -15.065 -0.968 1.00 0.09 N ATOM 2295 CA LYS B 57 6.207 -14.251 -0.940 1.00 0.06 C ATOM 2296 C LYS B 57 6.181 -13.193 -2.039 1.00 0.07 C ATOM 2297 O LYS B 57 7.081 -12.361 -2.134 1.00 0.12 O ATOM 2298 CB LYS B 57 7.456 -15.130 -1.085 1.00 0.12 C ATOM 2299 CG LYS B 57 8.009 -15.631 0.246 1.00 0.17 C ATOM 2300 CD LYS B 57 7.205 -16.794 0.805 1.00 0.47 C ATOM 2301 CE LYS B 57 7.614 -18.113 0.168 1.00 0.23 C ATOM 2302 NZ LYS B 57 8.781 -18.734 0.846 1.00 0.62 N1+ ATOM 0 H LYS B 57 5.090 -15.940 -1.483 1.00 0.09 H new ATOM 0 HA LYS B 57 6.244 -13.745 0.025 1.00 0.06 H new ATOM 0 HB2 LYS B 57 7.216 -15.987 -1.715 1.00 0.12 H new ATOM 0 HB3 LYS B 57 8.231 -14.563 -1.600 1.00 0.12 H new ATOM 0 HG2 LYS B 57 9.046 -15.940 0.113 1.00 0.17 H new ATOM 0 HG3 LYS B 57 8.010 -14.814 0.967 1.00 0.17 H new ATOM 0 HD2 LYS B 57 7.348 -16.851 1.884 1.00 0.47 H new ATOM 0 HD3 LYS B 57 6.143 -16.619 0.632 1.00 0.47 H new ATOM 0 HE2 LYS B 57 6.771 -18.804 0.197 1.00 0.23 H new ATOM 0 HE3 LYS B 57 7.854 -17.947 -0.882 1.00 0.23 H new ATOM 0 HZ1 LYS B 57 8.988 -19.654 0.407 1.00 0.62 H new ATOM 0 HZ2 LYS B 57 9.609 -18.111 0.753 1.00 0.62 H new ATOM 0 HZ3 LYS B 57 8.564 -18.872 1.854 1.00 0.62 H new ATOM 2316 N LEU B 58 5.148 -13.230 -2.870 1.00 0.07 N ATOM 2317 CA LEU B 58 5.012 -12.270 -3.955 1.00 0.11 C ATOM 2318 C LEU B 58 4.091 -11.130 -3.547 1.00 0.11 C ATOM 2319 O LEU B 58 4.425 -9.957 -3.710 1.00 0.14 O ATOM 2320 CB LEU B 58 4.453 -12.948 -5.209 1.00 0.14 C ATOM 2321 CG LEU B 58 4.584 -12.130 -6.490 1.00 0.16 C ATOM 2322 CD1 LEU B 58 5.867 -12.493 -7.213 1.00 0.17 C ATOM 2323 CD2 LEU B 58 3.375 -12.341 -7.390 1.00 0.27 C ATOM 0 H LEU B 58 4.393 -13.914 -2.813 1.00 0.07 H new ATOM 0 HA LEU B 58 6.002 -11.871 -4.175 1.00 0.11 H new ATOM 0 HB2 LEU B 58 4.964 -13.900 -5.349 1.00 0.14 H new ATOM 0 HB3 LEU B 58 3.399 -13.173 -5.044 1.00 0.14 H new ATOM 0 HG LEU B 58 4.624 -11.073 -6.226 1.00 0.16 H new ATOM 0 HD11 LEU B 58 5.950 -11.903 -8.126 1.00 0.17 H new ATOM 0 HD12 LEU B 58 6.720 -12.284 -6.567 1.00 0.17 H new ATOM 0 HD13 LEU B 58 5.855 -13.553 -7.466 1.00 0.17 H new ATOM 0 HD21 LEU B 58 3.489 -11.748 -8.298 1.00 0.27 H new ATOM 0 HD22 LEU B 58 3.297 -13.396 -7.653 1.00 0.27 H new ATOM 0 HD23 LEU B 58 2.472 -12.030 -6.865 1.00 0.27 H new ATOM 2335 N ALA B 59 2.935 -11.489 -3.004 1.00 0.08 N ATOM 2336 CA ALA B 59 1.941 -10.514 -2.577 1.00 0.09 C ATOM 2337 C ALA B 59 2.495 -9.556 -1.526 1.00 0.14 C ATOM 2338 O ALA B 59 2.366 -8.339 -1.658 1.00 0.31 O ATOM 2339 CB ALA B 59 0.718 -11.233 -2.047 1.00 0.07 C ATOM 0 H ALA B 59 2.661 -12.459 -2.848 1.00 0.08 H new ATOM 0 HA ALA B 59 1.664 -9.913 -3.444 1.00 0.09 H new ATOM 0 HB1 ALA B 59 -0.024 -10.501 -1.728 1.00 0.07 H new ATOM 0 HB2 ALA B 59 0.296 -11.860 -2.832 1.00 0.07 H new ATOM 0 HB3 ALA B 59 1.001 -11.856 -1.199 1.00 0.07 H new ATOM 2345 N VAL B 60 3.126 -10.106 -0.496 1.00 0.02 N ATOM 2346 CA VAL B 60 3.694 -9.286 0.571 1.00 0.05 C ATOM 2347 C VAL B 60 4.818 -8.398 0.029 1.00 0.08 C ATOM 2348 O VAL B 60 5.068 -7.305 0.543 1.00 0.12 O ATOM 2349 CB VAL B 60 4.209 -10.151 1.742 1.00 0.07 C ATOM 2350 CG1 VAL B 60 5.389 -11.003 1.317 1.00 0.07 C ATOM 2351 CG2 VAL B 60 4.574 -9.282 2.939 1.00 0.13 C ATOM 0 H VAL B 60 3.258 -11.110 -0.375 1.00 0.02 H new ATOM 0 HA VAL B 60 2.897 -8.649 0.954 1.00 0.05 H new ATOM 0 HB VAL B 60 3.403 -10.821 2.040 1.00 0.07 H new ATOM 0 HG11 VAL B 60 5.729 -11.601 2.163 1.00 0.07 H new ATOM 0 HG12 VAL B 60 5.087 -11.663 0.504 1.00 0.07 H new ATOM 0 HG13 VAL B 60 6.200 -10.358 0.978 1.00 0.07 H new ATOM 0 HG21 VAL B 60 4.934 -9.914 3.751 1.00 0.13 H new ATOM 0 HG22 VAL B 60 5.356 -8.578 2.653 1.00 0.13 H new ATOM 0 HG23 VAL B 60 3.694 -8.731 3.271 1.00 0.13 H new ATOM 2361 N LEU B 61 5.474 -8.865 -1.033 1.00 0.08 N ATOM 2362 CA LEU B 61 6.550 -8.113 -1.659 1.00 0.11 C ATOM 2363 C LEU B 61 5.976 -6.868 -2.318 1.00 0.11 C ATOM 2364 O LEU B 61 6.604 -5.811 -2.345 1.00 0.13 O ATOM 2365 CB LEU B 61 7.269 -8.973 -2.702 1.00 0.13 C ATOM 2366 CG LEU B 61 8.505 -8.332 -3.342 1.00 0.17 C ATOM 2367 CD1 LEU B 61 9.719 -8.493 -2.441 1.00 0.17 C ATOM 2368 CD2 LEU B 61 8.774 -8.933 -4.713 1.00 0.17 C ATOM 0 H LEU B 61 5.275 -9.762 -1.475 1.00 0.08 H new ATOM 0 HA LEU B 61 7.272 -7.823 -0.896 1.00 0.11 H new ATOM 0 HB2 LEU B 61 7.568 -9.910 -2.232 1.00 0.13 H new ATOM 0 HB3 LEU B 61 6.561 -9.225 -3.492 1.00 0.13 H new ATOM 0 HG LEU B 61 8.310 -7.267 -3.468 1.00 0.17 H new ATOM 0 HD11 LEU B 61 10.586 -8.031 -2.913 1.00 0.17 H new ATOM 0 HD12 LEU B 61 9.528 -8.010 -1.483 1.00 0.17 H new ATOM 0 HD13 LEU B 61 9.915 -9.553 -2.280 1.00 0.17 H new ATOM 0 HD21 LEU B 61 9.656 -8.464 -5.149 1.00 0.17 H new ATOM 0 HD22 LEU B 61 8.945 -10.005 -4.613 1.00 0.17 H new ATOM 0 HD23 LEU B 61 7.914 -8.762 -5.360 1.00 0.17 H new ATOM 2380 N THR B 62 4.761 -7.003 -2.831 1.00 0.10 N ATOM 2381 CA THR B 62 4.087 -5.896 -3.480 1.00 0.09 C ATOM 2382 C THR B 62 3.594 -4.900 -2.438 1.00 0.09 C ATOM 2383 O THR B 62 3.704 -3.691 -2.624 1.00 0.08 O ATOM 2384 CB THR B 62 2.899 -6.381 -4.328 1.00 0.10 C ATOM 2385 OG1 THR B 62 3.185 -7.673 -4.880 1.00 0.18 O ATOM 2386 CG2 THR B 62 2.610 -5.406 -5.454 1.00 0.12 C ATOM 0 H THR B 62 4.225 -7.870 -2.808 1.00 0.10 H new ATOM 0 HA THR B 62 4.806 -5.412 -4.141 1.00 0.09 H new ATOM 0 HB THR B 62 2.023 -6.445 -3.682 1.00 0.10 H new ATOM 0 HG1 THR B 62 4.035 -7.640 -5.366 1.00 0.18 H new ATOM 0 HG21 THR B 62 1.766 -5.768 -6.041 1.00 0.12 H new ATOM 0 HG22 THR B 62 2.368 -4.429 -5.036 1.00 0.12 H new ATOM 0 HG23 THR B 62 3.488 -5.320 -6.095 1.00 0.12 H new ATOM 2394 N ALA B 63 3.075 -5.430 -1.335 1.00 0.10 N ATOM 2395 CA ALA B 63 2.553 -4.614 -0.246 1.00 0.11 C ATOM 2396 C ALA B 63 3.604 -3.644 0.286 1.00 0.11 C ATOM 2397 O ALA B 63 3.336 -2.452 0.452 1.00 0.12 O ATOM 2398 CB ALA B 63 2.037 -5.501 0.880 1.00 0.10 C ATOM 0 H ALA B 63 3.005 -6.434 -1.172 1.00 0.10 H new ATOM 0 HA ALA B 63 1.727 -4.024 -0.643 1.00 0.11 H new ATOM 0 HB1 ALA B 63 1.650 -4.878 1.686 1.00 0.10 H new ATOM 0 HB2 ALA B 63 1.240 -6.142 0.502 1.00 0.10 H new ATOM 0 HB3 ALA B 63 2.851 -6.119 1.258 1.00 0.10 H new ATOM 2404 N VAL B 64 4.806 -4.152 0.536 1.00 0.09 N ATOM 2405 CA VAL B 64 5.883 -3.318 1.058 1.00 0.10 C ATOM 2406 C VAL B 64 6.337 -2.279 0.030 1.00 0.12 C ATOM 2407 O VAL B 64 6.645 -1.143 0.391 1.00 0.12 O ATOM 2408 CB VAL B 64 7.088 -4.163 1.549 1.00 0.10 C ATOM 2409 CG1 VAL B 64 7.787 -4.870 0.399 1.00 0.12 C ATOM 2410 CG2 VAL B 64 8.070 -3.300 2.324 1.00 0.11 C ATOM 0 H VAL B 64 5.058 -5.129 0.387 1.00 0.09 H new ATOM 0 HA VAL B 64 5.478 -2.789 1.920 1.00 0.10 H new ATOM 0 HB VAL B 64 6.697 -4.931 2.217 1.00 0.10 H new ATOM 0 HG11 VAL B 64 8.625 -5.451 0.784 1.00 0.12 H new ATOM 0 HG12 VAL B 64 7.083 -5.536 -0.100 1.00 0.12 H new ATOM 0 HG13 VAL B 64 8.155 -4.131 -0.313 1.00 0.12 H new ATOM 0 HG21 VAL B 64 8.907 -3.913 2.659 1.00 0.11 H new ATOM 0 HG22 VAL B 64 8.439 -2.502 1.680 1.00 0.11 H new ATOM 0 HG23 VAL B 64 7.569 -2.866 3.189 1.00 0.11 H new ATOM 2420 N GLN B 65 6.352 -2.646 -1.247 1.00 0.15 N ATOM 2421 CA GLN B 65 6.768 -1.707 -2.274 1.00 0.19 C ATOM 2422 C GLN B 65 5.700 -0.633 -2.469 1.00 0.13 C ATOM 2423 O GLN B 65 6.023 0.545 -2.614 1.00 0.16 O ATOM 2424 CB GLN B 65 7.077 -2.418 -3.593 1.00 0.34 C ATOM 2425 CG GLN B 65 8.009 -1.604 -4.491 1.00 0.57 C ATOM 2426 CD GLN B 65 8.720 -2.441 -5.535 1.00 0.79 C ATOM 2427 OE1 GLN B 65 9.069 -3.595 -5.294 1.00 0.98 O ATOM 2428 NE2 GLN B 65 8.947 -1.860 -6.705 1.00 0.80 N ATOM 0 H GLN B 65 6.086 -3.570 -1.588 1.00 0.15 H new ATOM 0 HA GLN B 65 7.689 -1.228 -1.942 1.00 0.19 H new ATOM 0 HB2 GLN B 65 7.533 -3.385 -3.383 1.00 0.34 H new ATOM 0 HB3 GLN B 65 6.145 -2.614 -4.124 1.00 0.34 H new ATOM 0 HG2 GLN B 65 7.432 -0.826 -4.991 1.00 0.57 H new ATOM 0 HG3 GLN B 65 8.752 -1.102 -3.871 1.00 0.57 H new ATOM 0 HE21 GLN B 65 8.641 -0.900 -6.866 1.00 0.80 H new ATOM 0 HE22 GLN B 65 9.427 -2.373 -7.444 1.00 0.80 H new ATOM 2437 N ILE B 66 4.428 -1.040 -2.452 1.00 0.15 N ATOM 2438 CA ILE B 66 3.323 -0.096 -2.593 1.00 0.16 C ATOM 2439 C ILE B 66 3.375 0.914 -1.457 1.00 0.11 C ATOM 2440 O ILE B 66 3.232 2.121 -1.670 1.00 0.27 O ATOM 2441 CB ILE B 66 1.946 -0.809 -2.585 1.00 0.27 C ATOM 2442 CG1 ILE B 66 1.753 -1.614 -3.873 1.00 0.64 C ATOM 2443 CG2 ILE B 66 0.817 0.203 -2.415 1.00 0.89 C ATOM 2444 CD1 ILE B 66 0.572 -2.565 -3.835 1.00 1.38 C ATOM 0 H ILE B 66 4.141 -2.013 -2.342 1.00 0.15 H new ATOM 0 HA ILE B 66 3.433 0.405 -3.555 1.00 0.16 H new ATOM 0 HB ILE B 66 1.921 -1.496 -1.739 1.00 0.27 H new ATOM 0 HG12 ILE B 66 1.623 -0.922 -4.705 1.00 0.64 H new ATOM 0 HG13 ILE B 66 2.660 -2.185 -4.072 1.00 0.64 H new ATOM 0 HG21 ILE B 66 -0.141 -0.317 -2.412 1.00 0.89 H new ATOM 0 HG22 ILE B 66 0.944 0.735 -1.472 1.00 0.89 H new ATOM 0 HG23 ILE B 66 0.840 0.916 -3.239 1.00 0.89 H new ATOM 0 HD11 ILE B 66 0.503 -3.098 -4.784 1.00 1.38 H new ATOM 0 HD12 ILE B 66 0.708 -3.282 -3.025 1.00 1.38 H new ATOM 0 HD13 ILE B 66 -0.345 -2.000 -3.669 1.00 1.38 H new ATOM 2456 N ALA B 67 3.602 0.404 -0.251 1.00 0.16 N ATOM 2457 CA ALA B 67 3.701 1.242 0.930 1.00 0.13 C ATOM 2458 C ALA B 67 4.826 2.252 0.768 1.00 0.06 C ATOM 2459 O ALA B 67 4.660 3.421 1.080 1.00 0.09 O ATOM 2460 CB ALA B 67 3.926 0.393 2.174 1.00 0.16 C ATOM 0 H ALA B 67 3.721 -0.593 -0.069 1.00 0.16 H new ATOM 0 HA ALA B 67 2.761 1.782 1.048 1.00 0.13 H new ATOM 0 HB1 ALA B 67 3.997 1.040 3.048 1.00 0.16 H new ATOM 0 HB2 ALA B 67 3.091 -0.296 2.300 1.00 0.16 H new ATOM 0 HB3 ALA B 67 4.851 -0.174 2.065 1.00 0.16 H new ATOM 2466 N SER B 68 5.958 1.794 0.247 1.00 0.08 N ATOM 2467 CA SER B 68 7.116 2.657 0.037 1.00 0.06 C ATOM 2468 C SER B 68 6.806 3.760 -0.976 1.00 0.16 C ATOM 2469 O SER B 68 7.118 4.934 -0.750 1.00 0.21 O ATOM 2470 CB SER B 68 8.304 1.826 -0.452 1.00 0.06 C ATOM 2471 OG SER B 68 8.573 0.748 0.427 1.00 0.28 O ATOM 0 H SER B 68 6.100 0.825 -0.039 1.00 0.08 H new ATOM 0 HA SER B 68 7.366 3.126 0.989 1.00 0.06 H new ATOM 0 HB2 SER B 68 8.095 1.441 -1.450 1.00 0.06 H new ATOM 0 HB3 SER B 68 9.186 2.461 -0.533 1.00 0.06 H new ATOM 0 HG SER B 68 7.877 0.065 0.329 1.00 0.28 H new ATOM 2477 N GLU B 69 6.176 3.374 -2.085 1.00 0.26 N ATOM 2478 CA GLU B 69 5.828 4.310 -3.150 1.00 0.35 C ATOM 2479 C GLU B 69 4.937 5.443 -2.645 1.00 0.24 C ATOM 2480 O GLU B 69 5.155 6.610 -2.972 1.00 0.18 O ATOM 2481 CB GLU B 69 5.111 3.580 -4.291 1.00 0.52 C ATOM 2482 CG GLU B 69 5.995 2.617 -5.072 1.00 0.44 C ATOM 2483 CD GLU B 69 5.311 2.075 -6.312 1.00 1.20 C ATOM 2484 OE1 GLU B 69 5.135 2.845 -7.284 1.00 1.71 O ATOM 2485 OE2 GLU B 69 4.959 0.875 -6.335 1.00 1.60 O1- ATOM 0 H GLU B 69 5.895 2.411 -2.269 1.00 0.26 H new ATOM 0 HA GLU B 69 6.761 4.741 -3.512 1.00 0.35 H new ATOM 0 HB2 GLU B 69 4.267 3.027 -3.879 1.00 0.52 H new ATOM 0 HB3 GLU B 69 4.702 4.319 -4.980 1.00 0.52 H new ATOM 0 HG2 GLU B 69 6.914 3.126 -5.362 1.00 0.44 H new ATOM 0 HG3 GLU B 69 6.281 1.787 -4.426 1.00 0.44 H new ATOM 2492 N TYR B 70 3.947 5.105 -1.834 1.00 0.23 N ATOM 2493 CA TYR B 70 3.017 6.105 -1.331 1.00 0.15 C ATOM 2494 C TYR B 70 3.474 6.734 -0.013 1.00 0.08 C ATOM 2495 O TYR B 70 3.006 7.814 0.349 1.00 0.12 O ATOM 2496 CB TYR B 70 1.627 5.487 -1.187 1.00 0.24 C ATOM 2497 CG TYR B 70 0.831 5.499 -2.476 1.00 0.32 C ATOM 2498 CD1 TYR B 70 1.460 5.357 -3.708 1.00 0.57 C ATOM 2499 CD2 TYR B 70 -0.546 5.661 -2.461 1.00 0.75 C ATOM 2500 CE1 TYR B 70 0.737 5.384 -4.885 1.00 0.56 C ATOM 2501 CE2 TYR B 70 -1.276 5.684 -3.633 1.00 0.85 C ATOM 2502 CZ TYR B 70 -0.630 5.545 -4.841 1.00 0.50 C ATOM 2503 OH TYR B 70 -1.356 5.585 -6.011 1.00 0.59 O ATOM 0 H TYR B 70 3.767 4.154 -1.512 1.00 0.23 H new ATOM 0 HA TYR B 70 2.984 6.916 -2.058 1.00 0.15 H new ATOM 0 HB2 TYR B 70 1.728 4.459 -0.840 1.00 0.24 H new ATOM 0 HB3 TYR B 70 1.073 6.029 -0.421 1.00 0.24 H new ATOM 0 HD1 TYR B 70 2.531 5.223 -3.745 1.00 0.57 H new ATOM 0 HD2 TYR B 70 -1.057 5.771 -1.516 1.00 0.75 H new ATOM 0 HE1 TYR B 70 1.241 5.279 -5.834 1.00 0.56 H new ATOM 0 HE2 TYR B 70 -2.348 5.810 -3.602 1.00 0.85 H new ATOM 0 HH TYR B 70 -2.309 5.475 -5.809 1.00 0.59 H new ATOM 2513 N LEU B 71 4.381 6.075 0.703 1.00 0.09 N ATOM 2514 CA LEU B 71 4.879 6.613 1.968 1.00 0.17 C ATOM 2515 C LEU B 71 5.637 7.910 1.722 1.00 0.22 C ATOM 2516 O LEU B 71 5.494 8.877 2.469 1.00 0.26 O ATOM 2517 CB LEU B 71 5.791 5.606 2.681 1.00 0.24 C ATOM 2518 CG LEU B 71 6.355 6.072 4.039 1.00 0.27 C ATOM 2519 CD1 LEU B 71 5.238 6.327 5.042 1.00 0.32 C ATOM 2520 CD2 LEU B 71 7.338 5.057 4.615 1.00 0.32 C ATOM 0 H LEU B 71 4.783 5.177 0.434 1.00 0.09 H new ATOM 0 HA LEU B 71 4.020 6.810 2.610 1.00 0.17 H new ATOM 0 HB2 LEU B 71 5.233 4.682 2.836 1.00 0.24 H new ATOM 0 HB3 LEU B 71 6.626 5.368 2.022 1.00 0.24 H new ATOM 0 HG LEU B 71 6.886 7.006 3.857 1.00 0.27 H new ATOM 0 HD11 LEU B 71 5.667 6.654 5.989 1.00 0.32 H new ATOM 0 HD12 LEU B 71 4.574 7.101 4.658 1.00 0.32 H new ATOM 0 HD13 LEU B 71 4.672 5.408 5.198 1.00 0.32 H new ATOM 0 HD21 LEU B 71 7.715 5.418 5.572 1.00 0.32 H new ATOM 0 HD22 LEU B 71 6.832 4.103 4.761 1.00 0.32 H new ATOM 0 HD23 LEU B 71 8.170 4.924 3.924 1.00 0.32 H new ATOM 2532 N LYS B 72 6.431 7.932 0.658 1.00 0.23 N ATOM 2533 CA LYS B 72 7.196 9.119 0.314 1.00 0.27 C ATOM 2534 C LYS B 72 6.249 10.238 -0.106 1.00 0.24 C ATOM 2535 O LYS B 72 6.520 11.416 0.132 1.00 0.29 O ATOM 2536 CB LYS B 72 8.217 8.805 -0.793 1.00 0.31 C ATOM 2537 CG LYS B 72 7.630 8.710 -2.199 1.00 0.38 C ATOM 2538 CD LYS B 72 7.782 10.019 -2.961 1.00 0.40 C ATOM 2539 CE LYS B 72 7.001 10.000 -4.265 1.00 0.52 C ATOM 2540 NZ LYS B 72 6.976 11.335 -4.922 1.00 0.58 N1+ ATOM 0 H LYS B 72 6.560 7.144 0.023 1.00 0.23 H new ATOM 0 HA LYS B 72 7.754 9.450 1.190 1.00 0.27 H new ATOM 0 HB2 LYS B 72 8.986 9.577 -0.787 1.00 0.31 H new ATOM 0 HB3 LYS B 72 8.710 7.862 -0.556 1.00 0.31 H new ATOM 0 HG2 LYS B 72 8.127 7.910 -2.748 1.00 0.38 H new ATOM 0 HG3 LYS B 72 6.574 8.446 -2.136 1.00 0.38 H new ATOM 0 HD2 LYS B 72 7.435 10.845 -2.340 1.00 0.40 H new ATOM 0 HD3 LYS B 72 8.837 10.199 -3.170 1.00 0.40 H new ATOM 0 HE2 LYS B 72 7.446 9.271 -4.943 1.00 0.52 H new ATOM 0 HE3 LYS B 72 5.980 9.673 -4.071 1.00 0.52 H new ATOM 0 HZ1 LYS B 72 6.185 11.375 -5.596 1.00 0.58 H new ATOM 0 HZ2 LYS B 72 6.854 12.075 -4.201 1.00 0.58 H new ATOM 0 HZ3 LYS B 72 7.871 11.489 -5.429 1.00 0.58 H new ATOM 2554 N LEU B 73 5.124 9.851 -0.703 1.00 0.17 N ATOM 2555 CA LEU B 73 4.125 10.804 -1.161 1.00 0.14 C ATOM 2556 C LEU B 73 3.411 11.445 0.022 1.00 0.11 C ATOM 2557 O LEU B 73 3.222 12.659 0.065 1.00 0.09 O ATOM 2558 CB LEU B 73 3.113 10.109 -2.076 1.00 0.13 C ATOM 2559 CG LEU B 73 2.003 11.004 -2.632 1.00 0.12 C ATOM 2560 CD1 LEU B 73 2.564 12.002 -3.636 1.00 0.08 C ATOM 2561 CD2 LEU B 73 0.906 10.165 -3.273 1.00 0.15 C ATOM 0 H LEU B 73 4.884 8.876 -0.880 1.00 0.17 H new ATOM 0 HA LEU B 73 4.630 11.589 -1.724 1.00 0.14 H new ATOM 0 HB2 LEU B 73 3.652 9.665 -2.913 1.00 0.13 H new ATOM 0 HB3 LEU B 73 2.653 9.290 -1.523 1.00 0.13 H new ATOM 0 HG LEU B 73 1.570 11.561 -1.801 1.00 0.12 H new ATOM 0 HD11 LEU B 73 1.757 12.627 -4.018 1.00 0.08 H new ATOM 0 HD12 LEU B 73 3.309 12.630 -3.147 1.00 0.08 H new ATOM 0 HD13 LEU B 73 3.028 11.464 -4.463 1.00 0.08 H new ATOM 0 HD21 LEU B 73 0.127 10.821 -3.662 1.00 0.15 H new ATOM 0 HD22 LEU B 73 1.327 9.578 -4.089 1.00 0.15 H new ATOM 0 HD23 LEU B 73 0.478 9.495 -2.527 1.00 0.15 H new ATOM 2573 N LYS B 74 3.029 10.624 0.996 1.00 0.11 N ATOM 2574 CA LYS B 74 2.338 11.125 2.177 1.00 0.10 C ATOM 2575 C LYS B 74 3.293 11.923 3.064 1.00 0.13 C ATOM 2576 O LYS B 74 2.867 12.764 3.857 1.00 0.13 O ATOM 2577 CB LYS B 74 1.693 9.973 2.962 1.00 0.12 C ATOM 2578 CG LYS B 74 2.562 9.397 4.077 1.00 0.20 C ATOM 2579 CD LYS B 74 1.830 8.318 4.866 1.00 0.28 C ATOM 2580 CE LYS B 74 0.880 8.909 5.898 1.00 0.32 C ATOM 2581 NZ LYS B 74 1.606 9.587 7.007 1.00 0.43 N1+ ATOM 0 H LYS B 74 3.185 9.616 0.990 1.00 0.11 H new ATOM 0 HA LYS B 74 1.543 11.794 1.848 1.00 0.10 H new ATOM 0 HB2 LYS B 74 0.757 10.325 3.395 1.00 0.12 H new ATOM 0 HB3 LYS B 74 1.441 9.173 2.266 1.00 0.12 H new ATOM 0 HG2 LYS B 74 3.473 8.979 3.649 1.00 0.20 H new ATOM 0 HG3 LYS B 74 2.865 10.198 4.752 1.00 0.20 H new ATOM 0 HD2 LYS B 74 1.269 7.684 4.179 1.00 0.28 H new ATOM 0 HD3 LYS B 74 2.557 7.679 5.367 1.00 0.28 H new ATOM 0 HE2 LYS B 74 0.216 9.623 5.411 1.00 0.32 H new ATOM 0 HE3 LYS B 74 0.252 8.117 6.307 1.00 0.32 H new ATOM 0 HZ1 LYS B 74 0.968 9.703 7.820 1.00 0.43 H new ATOM 0 HZ2 LYS B 74 2.425 9.011 7.289 1.00 0.43 H new ATOM 0 HZ3 LYS B 74 1.933 10.521 6.688 1.00 0.43 H new ATOM 2595 N GLU B 75 4.586 11.656 2.920 1.00 0.17 N ATOM 2596 CA GLU B 75 5.600 12.354 3.697 1.00 0.20 C ATOM 2597 C GLU B 75 5.830 13.746 3.131 1.00 0.16 C ATOM 2598 O GLU B 75 5.785 14.742 3.863 1.00 0.20 O ATOM 2599 CB GLU B 75 6.914 11.575 3.703 1.00 0.27 C ATOM 2600 CG GLU B 75 7.874 12.022 4.792 1.00 0.36 C ATOM 2601 CD GLU B 75 7.465 11.515 6.156 1.00 0.45 C ATOM 2602 OE1 GLU B 75 6.651 12.182 6.827 1.00 0.44 O1- ATOM 2603 OE2 GLU B 75 7.953 10.439 6.562 1.00 0.55 O ATOM 0 H GLU B 75 4.956 10.961 2.272 1.00 0.17 H new ATOM 0 HA GLU B 75 5.242 12.438 4.723 1.00 0.20 H new ATOM 0 HB2 GLU B 75 6.699 10.514 3.832 1.00 0.27 H new ATOM 0 HB3 GLU B 75 7.399 11.687 2.733 1.00 0.27 H new ATOM 0 HG2 GLU B 75 8.877 11.665 4.559 1.00 0.36 H new ATOM 0 HG3 GLU B 75 7.920 13.111 4.809 1.00 0.36 H new ATOM 2610 N GLU B 76 6.059 13.813 1.819 1.00 0.13 N ATOM 2611 CA GLU B 76 6.288 15.085 1.147 1.00 0.11 C ATOM 2612 C GLU B 76 5.022 15.931 1.196 1.00 0.08 C ATOM 2613 O GLU B 76 5.076 17.156 1.077 1.00 0.08 O ATOM 2614 CB GLU B 76 6.736 14.865 -0.302 1.00 0.17 C ATOM 2615 CG GLU B 76 5.664 14.260 -1.193 1.00 0.18 C ATOM 2616 CD GLU B 76 6.086 14.198 -2.642 1.00 0.21 C ATOM 2617 OE1 GLU B 76 6.559 15.223 -3.169 1.00 0.34 O1- ATOM 2618 OE2 GLU B 76 5.948 13.126 -3.266 1.00 0.20 O ATOM 0 H GLU B 76 6.090 13.000 1.204 1.00 0.13 H new ATOM 0 HA GLU B 76 7.087 15.615 1.666 1.00 0.11 H new ATOM 0 HB2 GLU B 76 7.049 15.820 -0.724 1.00 0.17 H new ATOM 0 HB3 GLU B 76 7.609 14.213 -0.307 1.00 0.17 H new ATOM 0 HG2 GLU B 76 5.429 13.255 -0.843 1.00 0.18 H new ATOM 0 HG3 GLU B 76 4.751 14.849 -1.108 1.00 0.18 H new ATOM 2625 N TYR B 77 3.891 15.253 1.384 1.00 0.07 N ATOM 2626 CA TYR B 77 2.589 15.898 1.483 1.00 0.11 C ATOM 2627 C TYR B 77 2.589 16.931 2.606 1.00 0.13 C ATOM 2628 O TYR B 77 1.949 17.971 2.505 1.00 0.22 O ATOM 2629 CB TYR B 77 1.503 14.840 1.724 1.00 0.13 C ATOM 2630 CG TYR B 77 0.221 15.378 2.324 1.00 0.15 C ATOM 2631 CD1 TYR B 77 -0.536 16.330 1.659 1.00 0.22 C ATOM 2632 CD2 TYR B 77 -0.232 14.928 3.560 1.00 0.12 C ATOM 2633 CE1 TYR B 77 -1.706 16.822 2.200 1.00 0.25 C ATOM 2634 CE2 TYR B 77 -1.403 15.413 4.111 1.00 0.14 C ATOM 2635 CZ TYR B 77 -2.138 16.361 3.427 1.00 0.20 C ATOM 2636 OH TYR B 77 -3.305 16.848 3.972 1.00 0.23 O ATOM 0 H TYR B 77 3.855 14.237 1.472 1.00 0.07 H new ATOM 0 HA TYR B 77 2.377 16.414 0.547 1.00 0.11 H new ATOM 0 HB2 TYR B 77 1.270 14.355 0.776 1.00 0.13 H new ATOM 0 HB3 TYR B 77 1.903 14.071 2.385 1.00 0.13 H new ATOM 0 HD1 TYR B 77 -0.203 16.694 0.698 1.00 0.22 H new ATOM 0 HD2 TYR B 77 0.341 14.187 4.098 1.00 0.12 H new ATOM 0 HE1 TYR B 77 -2.281 17.564 1.666 1.00 0.25 H new ATOM 0 HE2 TYR B 77 -1.741 15.053 5.071 1.00 0.14 H new ATOM 0 HH TYR B 77 -3.466 16.419 4.838 1.00 0.23 H new ATOM 2646 N GLN B 78 3.314 16.641 3.670 1.00 0.22 N ATOM 2647 CA GLN B 78 3.395 17.558 4.793 1.00 0.30 C ATOM 2648 C GLN B 78 4.487 18.598 4.559 1.00 0.37 C ATOM 2649 O GLN B 78 4.361 19.746 4.978 1.00 0.84 O ATOM 2650 CB GLN B 78 3.675 16.790 6.081 1.00 0.28 C ATOM 2651 CG GLN B 78 2.432 16.204 6.728 1.00 0.17 C ATOM 2652 CD GLN B 78 2.764 15.174 7.792 1.00 0.26 C ATOM 2653 OE1 GLN B 78 2.821 13.975 7.515 1.00 0.53 O ATOM 2654 NE2 GLN B 78 3.002 15.635 9.010 1.00 0.24 N ATOM 0 H GLN B 78 3.853 15.782 3.781 1.00 0.22 H new ATOM 0 HA GLN B 78 2.439 18.072 4.886 1.00 0.30 H new ATOM 0 HB2 GLN B 78 4.376 15.984 5.867 1.00 0.28 H new ATOM 0 HB3 GLN B 78 4.163 17.457 6.792 1.00 0.28 H new ATOM 0 HG2 GLN B 78 1.845 17.007 7.174 1.00 0.17 H new ATOM 0 HG3 GLN B 78 1.810 15.743 5.961 1.00 0.17 H new ATOM 0 HE21 GLN B 78 2.944 16.636 9.197 1.00 0.24 H new ATOM 0 HE22 GLN B 78 3.243 14.989 9.762 1.00 0.24 H new ATOM 2663 N ARG B 79 5.535 18.190 3.848 1.00 0.28 N ATOM 2664 CA ARG B 79 6.674 19.061 3.568 1.00 0.30 C ATOM 2665 C ARG B 79 6.282 20.294 2.753 1.00 0.27 C ATOM 2666 O ARG B 79 6.574 21.418 3.151 1.00 0.23 O ATOM 2667 CB ARG B 79 7.778 18.291 2.839 1.00 0.34 C ATOM 2668 CG ARG B 79 9.050 19.104 2.653 1.00 0.63 C ATOM 2669 CD ARG B 79 10.079 18.375 1.804 1.00 0.85 C ATOM 2670 NE ARG B 79 11.214 19.239 1.482 1.00 1.45 N ATOM 2671 CZ ARG B 79 12.328 18.826 0.881 1.00 1.28 C ATOM 2672 NH1 ARG B 79 12.482 17.549 0.554 1.00 0.73 N1+ ATOM 2673 NH2 ARG B 79 13.296 19.697 0.626 1.00 2.05 N ATOM 0 H ARG B 79 5.619 17.254 3.452 1.00 0.28 H new ATOM 0 HA ARG B 79 7.045 19.407 4.533 1.00 0.30 H new ATOM 0 HB2 ARG B 79 8.011 17.385 3.399 1.00 0.34 H new ATOM 0 HB3 ARG B 79 7.409 17.976 1.863 1.00 0.34 H new ATOM 0 HG2 ARG B 79 8.805 20.057 2.185 1.00 0.63 H new ATOM 0 HG3 ARG B 79 9.481 19.330 3.629 1.00 0.63 H new ATOM 0 HD2 ARG B 79 10.432 17.492 2.336 1.00 0.85 H new ATOM 0 HD3 ARG B 79 9.612 18.027 0.883 1.00 0.85 H new ATOM 0 HE ARG B 79 11.148 20.225 1.735 1.00 1.45 H new ATOM 0 HH11 ARG B 79 11.744 16.876 0.763 1.00 0.73 H new ATOM 0 HH12 ARG B 79 13.338 17.240 0.094 1.00 0.73 H new ATOM 0 HH21 ARG B 79 13.184 20.676 0.890 1.00 2.05 H new ATOM 0 HH22 ARG B 79 14.152 19.388 0.166 1.00 2.05 H new ATOM 2687 N LEU B 80 5.618 20.097 1.619 1.00 0.30 N ATOM 2688 CA LEU B 80 5.238 21.238 0.785 1.00 0.28 C ATOM 2689 C LEU B 80 4.093 22.041 1.415 1.00 0.23 C ATOM 2690 O LEU B 80 3.781 23.146 0.972 1.00 0.28 O ATOM 2691 CB LEU B 80 4.951 20.815 -0.685 1.00 0.31 C ATOM 2692 CG LEU B 80 3.545 20.297 -1.074 1.00 0.48 C ATOM 2693 CD1 LEU B 80 3.001 19.297 -0.071 1.00 0.79 C ATOM 2694 CD2 LEU B 80 2.567 21.448 -1.292 1.00 0.44 C ATOM 0 H LEU B 80 5.336 19.185 1.261 1.00 0.30 H new ATOM 0 HA LEU B 80 6.094 21.911 0.739 1.00 0.28 H new ATOM 0 HB2 LEU B 80 5.168 21.674 -1.319 1.00 0.31 H new ATOM 0 HB3 LEU B 80 5.668 20.037 -0.946 1.00 0.31 H new ATOM 0 HG LEU B 80 3.657 19.768 -2.021 1.00 0.48 H new ATOM 0 HD11 LEU B 80 2.013 18.964 -0.389 1.00 0.79 H new ATOM 0 HD12 LEU B 80 3.671 18.440 -0.012 1.00 0.79 H new ATOM 0 HD13 LEU B 80 2.927 19.768 0.909 1.00 0.79 H new ATOM 0 HD21 LEU B 80 1.590 21.049 -1.564 1.00 0.44 H new ATOM 0 HD22 LEU B 80 2.479 22.029 -0.374 1.00 0.44 H new ATOM 0 HD23 LEU B 80 2.933 22.089 -2.094 1.00 0.44 H new ATOM 2706 N ARG B 81 3.487 21.502 2.466 1.00 0.20 N ATOM 2707 CA ARG B 81 2.407 22.198 3.149 1.00 0.15 C ATOM 2708 C ARG B 81 2.983 23.071 4.258 1.00 0.15 C ATOM 2709 O ARG B 81 2.565 24.213 4.440 1.00 0.43 O ATOM 2710 CB ARG B 81 1.382 21.208 3.706 1.00 0.22 C ATOM 2711 CG ARG B 81 0.492 20.592 2.635 1.00 0.32 C ATOM 2712 CD ARG B 81 -0.858 21.283 2.551 1.00 0.65 C ATOM 2713 NE ARG B 81 -0.752 22.675 2.105 1.00 1.05 N ATOM 2714 CZ ARG B 81 -1.630 23.625 2.435 1.00 1.70 C ATOM 2715 NH1 ARG B 81 -2.654 23.341 3.228 1.00 2.04 N1+ ATOM 2716 NH2 ARG B 81 -1.482 24.861 1.972 1.00 2.12 N ATOM 0 H ARG B 81 3.724 20.592 2.861 1.00 0.20 H new ATOM 0 HA ARG B 81 1.888 22.835 2.432 1.00 0.15 H new ATOM 0 HB2 ARG B 81 1.907 20.412 4.234 1.00 0.22 H new ATOM 0 HB3 ARG B 81 0.756 21.718 4.439 1.00 0.22 H new ATOM 0 HG2 ARG B 81 0.992 20.654 1.668 1.00 0.32 H new ATOM 0 HG3 ARG B 81 0.345 19.534 2.850 1.00 0.32 H new ATOM 0 HD2 ARG B 81 -1.501 20.733 1.864 1.00 0.65 H new ATOM 0 HD3 ARG B 81 -1.338 21.254 3.529 1.00 0.65 H new ATOM 0 HE ARG B 81 0.036 22.932 1.510 1.00 1.05 H new ATOM 0 HH11 ARG B 81 -2.773 22.394 3.588 1.00 2.04 H new ATOM 0 HH12 ARG B 81 -3.323 24.069 3.478 1.00 2.04 H new ATOM 0 HH21 ARG B 81 -0.696 25.087 1.362 1.00 2.12 H new ATOM 0 HH22 ARG B 81 -2.155 25.585 2.226 1.00 2.12 H new