USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1196 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 42 LYS NZ :NH3+ 142:sc= 2.52 (180deg=1.1) USER MOD Set 1.2: B 65 GLN : amide:sc= 0.815 K(o=3.3,f=-5.5!) USER MOD Set 2.1: B 19 GLN : amide:sc= -1.06! X(o=-1.5!,f=-1.9) USER MOD Set 2.2: B 21 TYR OH : rot 180:sc= -0.463! USER MOD Set 3.1: B 17 TYR OH : rot 89:sc= 1.3 USER MOD Set 3.2: B 47 SER OG : rot 84:sc= 1.12 USER MOD Set 4.1: A 17 TYR OH : rot 37:sc= 0.742 USER MOD Set 4.2: A 47 SER OG : rot 76:sc= 1.87 USER MOD Set 5.1: A 19 GLN :FLIP amide:sc= -0.419 F(o=-2.3!,f=-1.2) USER MOD Set 5.2: A 21 TYR OH : rot 180:sc= -0.754 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.012 USER MOD Single : A 13 SER OG : rot 180:sc= -0.397 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 8:sc= 1.24 USER MOD Single : A 31 HIS : +bothHN:sc= 0.367 K(o=0.37,f=-8.9!) USER MOD Single : A 42 LYS NZ :NH3+ -156:sc= 1.26 (180deg=1.07) USER MOD Single : A 43 MET CE :methyl -171:sc= -0.217 (180deg=-0.509) USER MOD Single : A 44 HIS : no HD1:sc= -0.0756 X(o=-0.076,f=0.0079) USER MOD Single : A 49 LYS NZ :NH3+ 171:sc= 2.09 (180deg=1.97) USER MOD Single : A 50 GLN : amide:sc= -0.0119 K(o=-0.012,f=-1) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 157:sc= 1.32 (180deg=1.19) USER MOD Single : A 62 THR OG1 : rot 50:sc= 0.73 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 68 SER OG : rot 82:sc= 0.359 USER MOD Single : A 70 TYR OH : rot 35:sc= 0.157 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0.736 K(o=0.74,f=0) USER MOD Single : B 10 THR OG1 : rot 180:sc= -0.0704 USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 SER OG : rot 88:sc= 1.19 USER MOD Single : B 31 HIS : no HD1:sc= -0.569 K(o=-0.57,f=-1.8) USER MOD Single : B 43 MET CE :methyl -172:sc= -0.171 (180deg=-0.548) USER MOD Single : B 44 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.8!) USER MOD Single : B 52 MET CE :methyl 166:sc= 0 (180deg=-0.154) USER MOD Single : B 57 LYS NZ :NH3+ 151:sc= 1.22 (180deg=1.2) USER MOD Single : B 62 THR OG1 : rot 56:sc= 1.26 USER MOD Single : B 68 SER OG : rot 35:sc= 0.746 USER MOD Single : B 70 TYR OH : rot 13:sc= 0.198 USER MOD Single : B 72 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.00963) USER MOD Single : B 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 78 GLN : amide:sc= -0.202 K(o=-0.2,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 138 N THR A 10 18.775 2.622 -6.257 1.00 0.30 N ATOM 139 CA THR A 10 19.313 1.469 -5.552 1.00 0.36 C ATOM 140 C THR A 10 18.210 0.650 -4.881 1.00 0.30 C ATOM 141 O THR A 10 17.090 1.127 -4.676 1.00 0.27 O ATOM 142 CB THR A 10 20.361 1.899 -4.501 1.00 0.49 C ATOM 143 OG1 THR A 10 21.075 0.754 -4.015 1.00 0.62 O ATOM 144 CG2 THR A 10 19.711 2.627 -3.331 1.00 0.60 C ATOM 0 HA THR A 10 19.799 0.840 -6.298 1.00 0.36 H new ATOM 0 HB THR A 10 21.055 2.584 -4.989 1.00 0.49 H new ATOM 0 HG1 THR A 10 21.737 1.039 -3.351 1.00 0.62 H new ATOM 0 HG21 THR A 10 20.477 2.915 -2.611 1.00 0.60 H new ATOM 0 HG22 THR A 10 19.202 3.519 -3.695 1.00 0.60 H new ATOM 0 HG23 THR A 10 18.989 1.968 -2.849 1.00 0.60 H new ATOM 152 N ARG A 11 18.539 -0.589 -4.547 1.00 0.30 N ATOM 153 CA ARG A 11 17.596 -1.485 -3.909 1.00 0.26 C ATOM 154 C ARG A 11 18.013 -1.767 -2.473 1.00 0.21 C ATOM 155 O ARG A 11 19.185 -1.604 -2.112 1.00 0.22 O ATOM 156 CB ARG A 11 17.493 -2.794 -4.693 1.00 0.32 C ATOM 157 CG ARG A 11 16.839 -2.634 -6.054 1.00 0.40 C ATOM 158 CD ARG A 11 16.873 -3.935 -6.837 1.00 0.55 C ATOM 159 NE ARG A 11 18.242 -4.403 -7.055 1.00 0.68 N ATOM 160 CZ ARG A 11 18.669 -5.631 -6.767 1.00 1.07 C ATOM 161 NH1 ARG A 11 17.822 -6.549 -6.312 1.00 1.36 N1+ ATOM 162 NH2 ARG A 11 19.940 -5.955 -6.964 1.00 1.17 N ATOM 0 H ARG A 11 19.460 -0.996 -4.710 1.00 0.30 H new ATOM 0 HA ARG A 11 16.618 -1.003 -3.898 1.00 0.26 H new ATOM 0 HB2 ARG A 11 18.492 -3.209 -4.825 1.00 0.32 H new ATOM 0 HB3 ARG A 11 16.923 -3.515 -4.107 1.00 0.32 H new ATOM 0 HG2 ARG A 11 15.806 -2.309 -5.928 1.00 0.40 H new ATOM 0 HG3 ARG A 11 17.352 -1.854 -6.617 1.00 0.40 H new ATOM 0 HD2 ARG A 11 16.310 -4.698 -6.299 1.00 0.55 H new ATOM 0 HD3 ARG A 11 16.380 -3.793 -7.799 1.00 0.55 H new ATOM 0 HE ARG A 11 18.913 -3.746 -7.453 1.00 0.68 H new ATOM 0 HH11 ARG A 11 16.838 -6.315 -6.181 1.00 1.36 H new ATOM 0 HH12 ARG A 11 18.156 -7.488 -6.094 1.00 1.36 H new ATOM 0 HH21 ARG A 11 20.591 -5.263 -7.336 1.00 1.17 H new ATOM 0 HH22 ARG A 11 20.267 -6.896 -6.743 1.00 1.17 H new ATOM 176 N VAL A 12 17.056 -2.187 -1.664 1.00 0.16 N ATOM 177 CA VAL A 12 17.303 -2.496 -0.267 1.00 0.12 C ATOM 178 C VAL A 12 16.653 -3.830 0.101 1.00 0.14 C ATOM 179 O VAL A 12 15.594 -4.183 -0.426 1.00 0.18 O ATOM 180 CB VAL A 12 16.767 -1.373 0.658 1.00 0.09 C ATOM 181 CG1 VAL A 12 15.245 -1.308 0.620 1.00 0.08 C ATOM 182 CG2 VAL A 12 17.266 -1.551 2.086 1.00 0.12 C ATOM 0 H VAL A 12 16.088 -2.323 -1.956 1.00 0.16 H new ATOM 0 HA VAL A 12 18.381 -2.570 -0.124 1.00 0.12 H new ATOM 0 HB VAL A 12 17.153 -0.425 0.283 1.00 0.09 H new ATOM 0 HG11 VAL A 12 14.898 -0.511 1.278 1.00 0.08 H new ATOM 0 HG12 VAL A 12 14.915 -1.106 -0.399 1.00 0.08 H new ATOM 0 HG13 VAL A 12 14.832 -2.260 0.954 1.00 0.08 H new ATOM 0 HG21 VAL A 12 16.874 -0.749 2.711 1.00 0.12 H new ATOM 0 HG22 VAL A 12 16.926 -2.512 2.473 1.00 0.12 H new ATOM 0 HG23 VAL A 12 18.356 -1.520 2.097 1.00 0.12 H new ATOM 192 N SER A 13 17.302 -4.581 0.974 1.00 0.14 N ATOM 193 CA SER A 13 16.779 -5.860 1.415 1.00 0.17 C ATOM 194 C SER A 13 16.216 -5.727 2.824 1.00 0.12 C ATOM 195 O SER A 13 16.936 -5.365 3.758 1.00 0.15 O ATOM 196 CB SER A 13 17.876 -6.925 1.374 1.00 0.25 C ATOM 197 OG SER A 13 18.486 -6.981 0.094 1.00 0.56 O ATOM 0 H SER A 13 18.196 -4.324 1.392 1.00 0.14 H new ATOM 0 HA SER A 13 15.978 -6.168 0.743 1.00 0.17 H new ATOM 0 HB2 SER A 13 18.630 -6.705 2.130 1.00 0.25 H new ATOM 0 HB3 SER A 13 17.452 -7.898 1.621 1.00 0.25 H new ATOM 0 HG SER A 13 19.185 -7.668 0.094 1.00 0.56 H new ATOM 203 N VAL A 14 14.927 -5.993 2.973 1.00 0.06 N ATOM 204 CA VAL A 14 14.269 -5.894 4.267 1.00 0.08 C ATOM 205 C VAL A 14 13.584 -7.206 4.622 1.00 0.08 C ATOM 206 O VAL A 14 13.317 -8.030 3.748 1.00 0.12 O ATOM 207 CB VAL A 14 13.236 -4.748 4.305 1.00 0.09 C ATOM 208 CG1 VAL A 14 13.930 -3.391 4.319 1.00 0.10 C ATOM 209 CG2 VAL A 14 12.264 -4.847 3.135 1.00 0.09 C ATOM 0 H VAL A 14 14.314 -6.280 2.210 1.00 0.06 H new ATOM 0 HA VAL A 14 15.045 -5.676 5.001 1.00 0.08 H new ATOM 0 HB VAL A 14 12.663 -4.845 5.227 1.00 0.09 H new ATOM 0 HG11 VAL A 14 13.181 -2.600 4.346 1.00 0.10 H new ATOM 0 HG12 VAL A 14 14.567 -3.317 5.200 1.00 0.10 H new ATOM 0 HG13 VAL A 14 14.539 -3.284 3.421 1.00 0.10 H new ATOM 0 HG21 VAL A 14 11.547 -4.027 3.187 1.00 0.09 H new ATOM 0 HG22 VAL A 14 12.816 -4.787 2.197 1.00 0.09 H new ATOM 0 HG23 VAL A 14 11.732 -5.797 3.183 1.00 0.09 H new ATOM 219 N ARG A 15 13.292 -7.394 5.899 1.00 0.05 N ATOM 220 CA ARG A 15 12.655 -8.619 6.356 1.00 0.05 C ATOM 221 C ARG A 15 11.233 -8.364 6.849 1.00 0.04 C ATOM 222 O ARG A 15 11.000 -7.475 7.671 1.00 0.07 O ATOM 223 CB ARG A 15 13.492 -9.255 7.467 1.00 0.06 C ATOM 224 CG ARG A 15 13.515 -10.772 7.415 1.00 0.06 C ATOM 225 CD ARG A 15 14.533 -11.350 8.380 1.00 0.11 C ATOM 226 NE ARG A 15 14.092 -11.250 9.768 1.00 0.16 N ATOM 227 CZ ARG A 15 14.364 -12.166 10.695 1.00 0.20 C ATOM 228 NH1 ARG A 15 15.106 -13.225 10.387 1.00 0.20 N1+ ATOM 229 NH2 ARG A 15 13.911 -12.012 11.930 1.00 0.26 N ATOM 0 H ARG A 15 13.485 -6.716 6.636 1.00 0.05 H new ATOM 0 HA ARG A 15 12.593 -9.303 5.509 1.00 0.05 H new ATOM 0 HB2 ARG A 15 14.514 -8.882 7.400 1.00 0.06 H new ATOM 0 HB3 ARG A 15 13.099 -8.938 8.433 1.00 0.06 H new ATOM 0 HG2 ARG A 15 12.525 -11.160 7.655 1.00 0.06 H new ATOM 0 HG3 ARG A 15 13.748 -11.098 6.401 1.00 0.06 H new ATOM 0 HD2 ARG A 15 14.714 -12.396 8.132 1.00 0.11 H new ATOM 0 HD3 ARG A 15 15.481 -10.826 8.263 1.00 0.11 H new ATOM 0 HE ARG A 15 13.546 -10.434 10.043 1.00 0.16 H new ATOM 0 HH11 ARG A 15 15.468 -13.336 9.440 1.00 0.20 H new ATOM 0 HH12 ARG A 15 15.314 -13.926 11.098 1.00 0.20 H new ATOM 0 HH21 ARG A 15 13.354 -11.192 12.170 1.00 0.26 H new ATOM 0 HH22 ARG A 15 14.119 -12.713 12.641 1.00 0.26 H new ATOM 243 N ILE A 16 10.284 -9.136 6.330 1.00 0.03 N ATOM 244 CA ILE A 16 8.886 -9.014 6.721 1.00 0.04 C ATOM 245 C ILE A 16 8.329 -10.387 7.073 1.00 0.04 C ATOM 246 O ILE A 16 8.412 -11.321 6.269 1.00 0.04 O ATOM 247 CB ILE A 16 8.021 -8.398 5.598 1.00 0.05 C ATOM 248 CG1 ILE A 16 8.693 -7.154 5.018 1.00 0.08 C ATOM 249 CG2 ILE A 16 6.632 -8.058 6.126 1.00 0.06 C ATOM 250 CD1 ILE A 16 8.170 -6.766 3.651 1.00 0.07 C ATOM 0 H ILE A 16 10.461 -9.858 5.632 1.00 0.03 H new ATOM 0 HA ILE A 16 8.847 -8.350 7.585 1.00 0.04 H new ATOM 0 HB ILE A 16 7.919 -9.133 4.800 1.00 0.05 H new ATOM 0 HG12 ILE A 16 8.548 -6.319 5.704 1.00 0.08 H new ATOM 0 HG13 ILE A 16 9.767 -7.329 4.951 1.00 0.08 H new ATOM 0 HG21 ILE A 16 6.034 -7.625 5.324 1.00 0.06 H new ATOM 0 HG22 ILE A 16 6.149 -8.965 6.490 1.00 0.06 H new ATOM 0 HG23 ILE A 16 6.719 -7.341 6.942 1.00 0.06 H new ATOM 0 HD11 ILE A 16 8.692 -5.875 3.301 1.00 0.07 H new ATOM 0 HD12 ILE A 16 8.339 -7.584 2.951 1.00 0.07 H new ATOM 0 HD13 ILE A 16 7.102 -6.559 3.715 1.00 0.07 H new ATOM 262 N TYR A 17 7.788 -10.508 8.283 1.00 0.08 N ATOM 263 CA TYR A 17 7.207 -11.760 8.770 1.00 0.11 C ATOM 264 C TYR A 17 8.228 -12.901 8.775 1.00 0.19 C ATOM 265 O TYR A 17 7.867 -14.072 8.659 1.00 0.56 O ATOM 266 CB TYR A 17 5.976 -12.142 7.940 1.00 0.04 C ATOM 267 CG TYR A 17 4.801 -12.608 8.778 1.00 0.09 C ATOM 268 CD1 TYR A 17 3.865 -11.703 9.263 1.00 0.18 C ATOM 269 CD2 TYR A 17 4.630 -13.952 9.083 1.00 0.08 C ATOM 270 CE1 TYR A 17 2.793 -12.123 10.028 1.00 0.23 C ATOM 271 CE2 TYR A 17 3.560 -14.381 9.846 1.00 0.12 C ATOM 272 CZ TYR A 17 2.645 -13.464 10.317 1.00 0.20 C ATOM 273 OH TYR A 17 1.577 -13.891 11.077 1.00 0.25 O ATOM 0 H TYR A 17 7.739 -9.742 8.955 1.00 0.08 H new ATOM 0 HA TYR A 17 6.898 -11.595 9.802 1.00 0.11 H new ATOM 0 HB2 TYR A 17 5.669 -11.283 7.344 1.00 0.04 H new ATOM 0 HB3 TYR A 17 6.250 -12.933 7.241 1.00 0.04 H new ATOM 0 HD1 TYR A 17 3.977 -10.653 9.038 1.00 0.18 H new ATOM 0 HD2 TYR A 17 5.345 -14.674 8.718 1.00 0.08 H new ATOM 0 HE1 TYR A 17 2.075 -11.405 10.397 1.00 0.23 H new ATOM 0 HE2 TYR A 17 3.441 -15.430 10.072 1.00 0.12 H new ATOM 0 HH TYR A 17 0.783 -13.362 10.852 1.00 0.25 H new ATOM 283 N GLY A 18 9.505 -12.558 8.898 1.00 0.18 N ATOM 284 CA GLY A 18 10.544 -13.568 8.948 1.00 0.13 C ATOM 285 C GLY A 18 11.294 -13.761 7.641 1.00 0.05 C ATOM 286 O GLY A 18 12.457 -14.160 7.651 1.00 0.11 O ATOM 0 H GLY A 18 9.839 -11.597 8.964 1.00 0.18 H new ATOM 0 HA2 GLY A 18 11.258 -13.299 9.726 1.00 0.13 H new ATOM 0 HA3 GLY A 18 10.097 -14.518 9.240 1.00 0.13 H new ATOM 290 N GLN A 19 10.647 -13.484 6.517 1.00 0.05 N ATOM 291 CA GLN A 19 11.288 -13.658 5.217 1.00 0.10 C ATOM 292 C GLN A 19 11.852 -12.338 4.712 1.00 0.05 C ATOM 293 O GLN A 19 11.245 -11.283 4.898 1.00 0.08 O ATOM 294 CB GLN A 19 10.307 -14.236 4.190 1.00 0.19 C ATOM 295 CG GLN A 19 9.804 -15.633 4.532 1.00 0.14 C ATOM 296 CD GLN A 19 8.671 -15.625 5.544 1.00 0.49 C ATOM 297 OE1 GLN A 19 7.766 -14.665 5.418 1.00 0.68 O flip ATOM 298 NE2 GLN A 19 8.603 -16.482 6.425 1.00 0.67 N flip ATOM 0 H GLN A 19 9.687 -13.141 6.476 1.00 0.05 H new ATOM 0 HA GLN A 19 12.108 -14.364 5.346 1.00 0.10 H new ATOM 0 HB2 GLN A 19 9.453 -13.565 4.101 1.00 0.19 H new ATOM 0 HB3 GLN A 19 10.793 -14.264 3.215 1.00 0.19 H new ATOM 0 HG2 GLN A 19 9.466 -16.125 3.620 1.00 0.14 H new ATOM 0 HG3 GLN A 19 10.631 -16.225 4.925 1.00 0.14 H new ATOM 0 HE21 GLN A 19 9.319 -17.205 6.489 1.00 0.67 H new ATOM 0 HE22 GLN A 19 7.830 -16.469 7.091 1.00 0.67 H new ATOM 307 N ASP A 20 13.019 -12.399 4.086 1.00 0.12 N ATOM 308 CA ASP A 20 13.674 -11.206 3.563 1.00 0.10 C ATOM 309 C ASP A 20 13.409 -11.048 2.071 1.00 0.09 C ATOM 310 O ASP A 20 13.413 -12.023 1.319 1.00 0.10 O ATOM 311 CB ASP A 20 15.185 -11.249 3.837 1.00 0.17 C ATOM 312 CG ASP A 20 15.896 -12.360 3.085 1.00 0.39 C ATOM 313 OD1 ASP A 20 15.521 -13.541 3.263 1.00 0.55 O ATOM 314 OD2 ASP A 20 16.849 -12.064 2.333 1.00 0.49 O1- ATOM 0 H ASP A 20 13.534 -13.265 3.927 1.00 0.12 H new ATOM 0 HA ASP A 20 13.254 -10.342 4.078 1.00 0.10 H new ATOM 0 HB2 ASP A 20 15.626 -10.291 3.560 1.00 0.17 H new ATOM 0 HB3 ASP A 20 15.351 -11.379 4.907 1.00 0.17 H new ATOM 319 N TYR A 21 13.156 -9.816 1.658 1.00 0.07 N ATOM 320 CA TYR A 21 12.882 -9.515 0.260 1.00 0.07 C ATOM 321 C TYR A 21 13.684 -8.299 -0.184 1.00 0.07 C ATOM 322 O TYR A 21 14.044 -7.450 0.631 1.00 0.16 O ATOM 323 CB TYR A 21 11.388 -9.243 0.045 1.00 0.05 C ATOM 324 CG TYR A 21 10.470 -10.258 0.686 1.00 0.07 C ATOM 325 CD1 TYR A 21 10.323 -11.529 0.149 1.00 0.15 C ATOM 326 CD2 TYR A 21 9.753 -9.942 1.833 1.00 0.05 C ATOM 327 CE1 TYR A 21 9.484 -12.460 0.736 1.00 0.17 C ATOM 328 CE2 TYR A 21 8.912 -10.865 2.426 1.00 0.08 C ATOM 329 CZ TYR A 21 8.780 -12.123 1.876 1.00 0.12 C ATOM 330 OH TYR A 21 7.940 -13.044 2.467 1.00 0.15 O ATOM 0 H TYR A 21 13.135 -9.004 2.274 1.00 0.07 H new ATOM 0 HA TYR A 21 13.174 -10.381 -0.335 1.00 0.07 H new ATOM 0 HB2 TYR A 21 11.150 -8.255 0.440 1.00 0.05 H new ATOM 0 HB3 TYR A 21 11.187 -9.214 -1.026 1.00 0.05 H new ATOM 0 HD1 TYR A 21 10.872 -11.796 -0.742 1.00 0.15 H new ATOM 0 HD2 TYR A 21 9.854 -8.959 2.269 1.00 0.05 H new ATOM 0 HE1 TYR A 21 9.380 -13.445 0.305 1.00 0.17 H new ATOM 0 HE2 TYR A 21 8.360 -10.602 3.317 1.00 0.08 H new ATOM 0 HH TYR A 21 7.523 -12.645 3.259 1.00 0.15 H new ATOM 340 N THR A 22 13.959 -8.220 -1.475 1.00 0.19 N ATOM 341 CA THR A 22 14.709 -7.106 -2.030 1.00 0.20 C ATOM 342 C THR A 22 13.776 -6.174 -2.795 1.00 0.21 C ATOM 343 O THR A 22 13.152 -6.579 -3.773 1.00 0.38 O ATOM 344 CB THR A 22 15.818 -7.601 -2.972 1.00 0.25 C ATOM 345 OG1 THR A 22 16.256 -8.906 -2.568 1.00 0.19 O ATOM 346 CG2 THR A 22 16.997 -6.639 -2.967 1.00 0.32 C ATOM 0 H THR A 22 13.672 -8.918 -2.161 1.00 0.19 H new ATOM 0 HA THR A 22 15.169 -6.566 -1.202 1.00 0.20 H new ATOM 0 HB THR A 22 15.414 -7.651 -3.983 1.00 0.25 H new ATOM 0 HG1 THR A 22 16.961 -9.216 -3.173 1.00 0.19 H new ATOM 0 HG21 THR A 22 17.771 -7.008 -3.640 1.00 0.32 H new ATOM 0 HG22 THR A 22 16.665 -5.655 -3.300 1.00 0.32 H new ATOM 0 HG23 THR A 22 17.401 -6.563 -1.957 1.00 0.32 H new ATOM 354 N ILE A 23 13.672 -4.936 -2.336 1.00 0.16 N ATOM 355 CA ILE A 23 12.810 -3.954 -2.978 1.00 0.16 C ATOM 356 C ILE A 23 13.601 -2.700 -3.333 1.00 0.15 C ATOM 357 O ILE A 23 14.795 -2.618 -3.061 1.00 0.13 O ATOM 358 CB ILE A 23 11.614 -3.566 -2.081 1.00 0.17 C ATOM 359 CG1 ILE A 23 12.105 -3.093 -0.708 1.00 0.05 C ATOM 360 CG2 ILE A 23 10.657 -4.742 -1.940 1.00 0.31 C ATOM 361 CD1 ILE A 23 11.007 -2.542 0.171 1.00 0.06 C ATOM 0 H ILE A 23 14.175 -4.587 -1.520 1.00 0.16 H new ATOM 0 HA ILE A 23 12.422 -4.414 -3.887 1.00 0.16 H new ATOM 0 HB ILE A 23 11.077 -2.742 -2.551 1.00 0.17 H new ATOM 0 HG12 ILE A 23 12.584 -3.927 -0.196 1.00 0.05 H new ATOM 0 HG13 ILE A 23 12.866 -2.325 -0.848 1.00 0.05 H new ATOM 0 HG21 ILE A 23 9.819 -4.455 -1.305 1.00 0.31 H new ATOM 0 HG22 ILE A 23 10.286 -5.029 -2.924 1.00 0.31 H new ATOM 0 HG23 ILE A 23 11.181 -5.585 -1.490 1.00 0.31 H new ATOM 0 HD11 ILE A 23 11.429 -2.227 1.126 1.00 0.06 H new ATOM 0 HD12 ILE A 23 10.542 -1.687 -0.320 1.00 0.06 H new ATOM 0 HD13 ILE A 23 10.257 -3.314 0.343 1.00 0.06 H new ATOM 373 N VAL A 24 12.935 -1.729 -3.932 1.00 0.16 N ATOM 374 CA VAL A 24 13.586 -0.488 -4.320 1.00 0.15 C ATOM 375 C VAL A 24 13.647 0.484 -3.139 1.00 0.15 C ATOM 376 O VAL A 24 12.690 0.610 -2.373 1.00 0.15 O ATOM 377 CB VAL A 24 12.880 0.172 -5.532 1.00 0.17 C ATOM 378 CG1 VAL A 24 11.524 0.749 -5.148 1.00 0.17 C ATOM 379 CG2 VAL A 24 13.767 1.241 -6.152 1.00 0.18 C ATOM 0 H VAL A 24 11.942 -1.775 -4.161 1.00 0.16 H new ATOM 0 HA VAL A 24 14.604 -0.732 -4.623 1.00 0.15 H new ATOM 0 HB VAL A 24 12.704 -0.606 -6.275 1.00 0.17 H new ATOM 0 HG11 VAL A 24 11.060 1.203 -6.024 1.00 0.17 H new ATOM 0 HG12 VAL A 24 10.883 -0.048 -4.770 1.00 0.17 H new ATOM 0 HG13 VAL A 24 11.656 1.506 -4.375 1.00 0.17 H new ATOM 0 HG21 VAL A 24 13.254 1.692 -7.001 1.00 0.18 H new ATOM 0 HG22 VAL A 24 13.985 2.009 -5.410 1.00 0.18 H new ATOM 0 HG23 VAL A 24 14.699 0.789 -6.490 1.00 0.18 H new ATOM 389 N GLY A 25 14.783 1.145 -2.977 1.00 0.14 N ATOM 390 CA GLY A 25 14.943 2.090 -1.890 1.00 0.13 C ATOM 391 C GLY A 25 15.335 3.462 -2.389 1.00 0.11 C ATOM 392 O GLY A 25 16.314 4.047 -1.922 1.00 0.08 O ATOM 0 H GLY A 25 15.599 1.044 -3.580 1.00 0.14 H new ATOM 0 HA2 GLY A 25 14.011 2.160 -1.330 1.00 0.13 H new ATOM 0 HA3 GLY A 25 15.703 1.724 -1.200 1.00 0.13 H new ATOM 396 N ALA A 26 14.568 3.975 -3.340 1.00 0.15 N ATOM 397 CA ALA A 26 14.844 5.280 -3.920 1.00 0.17 C ATOM 398 C ALA A 26 13.983 6.370 -3.288 1.00 0.12 C ATOM 399 O ALA A 26 12.954 6.758 -3.840 1.00 0.19 O ATOM 400 CB ALA A 26 14.629 5.243 -5.423 1.00 0.27 C ATOM 0 H ALA A 26 13.749 3.506 -3.726 1.00 0.15 H new ATOM 0 HA ALA A 26 15.887 5.521 -3.714 1.00 0.17 H new ATOM 0 HB1 ALA A 26 14.839 6.226 -5.845 1.00 0.27 H new ATOM 0 HB2 ALA A 26 15.298 4.507 -5.868 1.00 0.27 H new ATOM 0 HB3 ALA A 26 13.596 4.970 -5.636 1.00 0.27 H new ATOM 406 N GLU A 27 14.409 6.845 -2.126 1.00 0.11 N ATOM 407 CA GLU A 27 13.701 7.903 -1.412 1.00 0.05 C ATOM 408 C GLU A 27 14.532 8.375 -0.220 1.00 0.10 C ATOM 409 O GLU A 27 14.987 9.515 -0.191 1.00 0.20 O ATOM 410 CB GLU A 27 12.310 7.434 -0.957 1.00 0.11 C ATOM 411 CG GLU A 27 11.439 8.553 -0.415 1.00 0.78 C ATOM 412 CD GLU A 27 11.127 8.383 1.056 1.00 1.22 C ATOM 413 OE1 GLU A 27 10.598 7.317 1.434 1.00 1.58 O1- ATOM 414 OE2 GLU A 27 11.410 9.311 1.840 1.00 1.46 O ATOM 0 H GLU A 27 15.249 6.512 -1.653 1.00 0.11 H new ATOM 0 HA GLU A 27 13.557 8.741 -2.094 1.00 0.05 H new ATOM 0 HB2 GLU A 27 11.801 6.964 -1.798 1.00 0.11 H new ATOM 0 HB3 GLU A 27 12.427 6.671 -0.188 1.00 0.11 H new ATOM 0 HG2 GLU A 27 11.942 9.508 -0.569 1.00 0.78 H new ATOM 0 HG3 GLU A 27 10.507 8.589 -0.979 1.00 0.78 H new ATOM 421 N SER A 28 14.746 7.483 0.741 1.00 0.11 N ATOM 422 CA SER A 28 15.524 7.789 1.936 1.00 0.17 C ATOM 423 C SER A 28 15.895 6.492 2.653 1.00 0.18 C ATOM 424 O SER A 28 15.012 5.729 3.045 1.00 0.15 O ATOM 425 CB SER A 28 14.739 8.711 2.879 1.00 0.18 C ATOM 426 OG SER A 28 14.710 10.044 2.391 1.00 0.26 O ATOM 0 H SER A 28 14.386 6.529 0.714 1.00 0.11 H new ATOM 0 HA SER A 28 16.434 8.309 1.636 1.00 0.17 H new ATOM 0 HB2 SER A 28 13.720 8.340 2.989 1.00 0.18 H new ATOM 0 HB3 SER A 28 15.194 8.694 3.870 1.00 0.18 H new ATOM 0 HG SER A 28 15.099 10.072 1.492 1.00 0.26 H new ATOM 432 N PRO A 29 17.202 6.226 2.830 1.00 0.23 N ATOM 433 CA PRO A 29 17.694 5.002 3.481 1.00 0.26 C ATOM 434 C PRO A 29 17.055 4.720 4.843 1.00 0.28 C ATOM 435 O PRO A 29 16.803 3.567 5.176 1.00 0.34 O ATOM 436 CB PRO A 29 19.202 5.238 3.639 1.00 0.31 C ATOM 437 CG PRO A 29 19.429 6.677 3.317 1.00 0.31 C ATOM 438 CD PRO A 29 18.314 7.085 2.398 1.00 0.25 C ATOM 0 HA PRO A 29 17.442 4.128 2.881 1.00 0.26 H new ATOM 0 HB2 PRO A 29 19.529 5.009 4.653 1.00 0.31 H new ATOM 0 HB3 PRO A 29 19.770 4.594 2.968 1.00 0.31 H new ATOM 0 HG2 PRO A 29 19.427 7.283 4.223 1.00 0.31 H new ATOM 0 HG3 PRO A 29 20.398 6.820 2.840 1.00 0.31 H new ATOM 0 HD2 PRO A 29 18.071 8.143 2.502 1.00 0.25 H new ATOM 0 HD3 PRO A 29 18.571 6.918 1.352 1.00 0.25 H new ATOM 446 N ALA A 30 16.786 5.761 5.620 1.00 0.27 N ATOM 447 CA ALA A 30 16.187 5.587 6.941 1.00 0.30 C ATOM 448 C ALA A 30 14.675 5.380 6.851 1.00 0.18 C ATOM 449 O ALA A 30 14.097 4.583 7.588 1.00 0.15 O ATOM 450 CB ALA A 30 16.502 6.787 7.820 1.00 0.41 C ATOM 0 H ALA A 30 16.971 6.730 5.362 1.00 0.27 H new ATOM 0 HA ALA A 30 16.618 4.691 7.387 1.00 0.30 H new ATOM 0 HB1 ALA A 30 16.051 6.647 8.802 1.00 0.41 H new ATOM 0 HB2 ALA A 30 17.582 6.886 7.928 1.00 0.41 H new ATOM 0 HB3 ALA A 30 16.099 7.690 7.361 1.00 0.41 H new ATOM 456 N HIS A 31 14.054 6.081 5.917 1.00 0.13 N ATOM 457 CA HIS A 31 12.604 6.016 5.721 1.00 0.10 C ATOM 458 C HIS A 31 12.170 4.630 5.244 1.00 0.09 C ATOM 459 O HIS A 31 11.143 4.108 5.678 1.00 0.19 O ATOM 460 CB HIS A 31 12.180 7.080 4.700 1.00 0.21 C ATOM 461 CG HIS A 31 10.802 7.634 4.905 1.00 0.05 C ATOM 462 ND1 HIS A 31 9.892 7.752 3.886 1.00 0.28 N ATOM 463 CD2 HIS A 31 10.206 8.163 5.999 1.00 0.12 C ATOM 464 CE1 HIS A 31 8.796 8.323 4.338 1.00 0.41 C ATOM 465 NE2 HIS A 31 8.953 8.588 5.622 1.00 0.32 N ATOM 0 H HIS A 31 14.533 6.710 5.273 1.00 0.13 H new ATOM 0 HA HIS A 31 12.117 6.207 6.677 1.00 0.10 H new ATOM 0 HB2 HIS A 31 12.895 7.902 4.734 1.00 0.21 H new ATOM 0 HB3 HIS A 31 12.238 6.648 3.701 1.00 0.21 H new ATOM 0 HD1 HIS A 31 10.042 7.444 2.925 1.00 0.28 H new ATOM 0 HD2 HIS A 31 10.635 8.238 6.987 1.00 0.12 H new ATOM 0 HE1 HIS A 31 7.913 8.539 3.755 1.00 0.41 H new ATOM 0 HE2 HIS A 31 8.264 9.031 6.230 1.00 0.32 H new ATOM 474 N ILE A 32 12.970 4.032 4.369 1.00 0.08 N ATOM 475 CA ILE A 32 12.667 2.711 3.809 1.00 0.20 C ATOM 476 C ILE A 32 12.860 1.580 4.822 1.00 0.27 C ATOM 477 O ILE A 32 12.528 0.430 4.541 1.00 0.36 O ATOM 478 CB ILE A 32 13.517 2.418 2.547 1.00 0.23 C ATOM 479 CG1 ILE A 32 15.012 2.296 2.906 1.00 0.25 C ATOM 480 CG2 ILE A 32 13.289 3.502 1.499 1.00 0.18 C ATOM 481 CD1 ILE A 32 15.918 2.024 1.723 1.00 0.30 C ATOM 0 H ILE A 32 13.840 4.440 4.027 1.00 0.08 H new ATOM 0 HA ILE A 32 11.613 2.744 3.535 1.00 0.20 H new ATOM 0 HB ILE A 32 13.201 1.463 2.128 1.00 0.23 H new ATOM 0 HG12 ILE A 32 15.334 3.218 3.390 1.00 0.25 H new ATOM 0 HG13 ILE A 32 15.134 1.494 3.634 1.00 0.25 H new ATOM 0 HG21 ILE A 32 13.891 3.287 0.616 1.00 0.18 H new ATOM 0 HG22 ILE A 32 12.235 3.525 1.223 1.00 0.18 H new ATOM 0 HG23 ILE A 32 13.578 4.470 1.908 1.00 0.18 H new ATOM 0 HD11 ILE A 32 16.951 1.953 2.064 1.00 0.30 H new ATOM 0 HD12 ILE A 32 15.627 1.086 1.250 1.00 0.30 H new ATOM 0 HD13 ILE A 32 15.829 2.837 1.002 1.00 0.30 H new ATOM 493 N ARG A 33 13.372 1.899 6.002 1.00 0.25 N ATOM 494 CA ARG A 33 13.584 0.880 7.027 1.00 0.32 C ATOM 495 C ARG A 33 12.294 0.615 7.796 1.00 0.34 C ATOM 496 O ARG A 33 12.015 -0.518 8.194 1.00 0.57 O ATOM 497 CB ARG A 33 14.688 1.309 7.997 1.00 0.34 C ATOM 498 CG ARG A 33 16.000 1.670 7.319 1.00 0.38 C ATOM 499 CD ARG A 33 16.706 0.444 6.757 1.00 0.37 C ATOM 500 NE ARG A 33 17.874 0.083 7.554 1.00 0.36 N ATOM 501 CZ ARG A 33 19.014 -0.375 7.042 1.00 0.68 C ATOM 502 NH1 ARG A 33 19.141 -0.550 5.731 1.00 1.01 N1+ ATOM 503 NH2 ARG A 33 20.026 -0.665 7.848 1.00 0.84 N ATOM 0 H ARG A 33 13.646 2.843 6.274 1.00 0.25 H new ATOM 0 HA ARG A 33 13.892 -0.039 6.528 1.00 0.32 H new ATOM 0 HB2 ARG A 33 14.339 2.167 8.572 1.00 0.34 H new ATOM 0 HB3 ARG A 33 14.868 0.502 8.707 1.00 0.34 H new ATOM 0 HG2 ARG A 33 15.809 2.380 6.514 1.00 0.38 H new ATOM 0 HG3 ARG A 33 16.653 2.168 8.035 1.00 0.38 H new ATOM 0 HD2 ARG A 33 16.011 -0.395 6.728 1.00 0.37 H new ATOM 0 HD3 ARG A 33 17.012 0.639 5.729 1.00 0.37 H new ATOM 0 HE ARG A 33 17.813 0.188 8.567 1.00 0.36 H new ATOM 0 HH11 ARG A 33 18.362 -0.333 5.110 1.00 1.01 H new ATOM 0 HH12 ARG A 33 20.018 -0.901 5.346 1.00 1.01 H new ATOM 0 HH21 ARG A 33 19.929 -0.537 8.855 1.00 0.84 H new ATOM 0 HH22 ARG A 33 20.902 -1.016 7.461 1.00 0.84 H new ATOM 517 N LEU A 34 11.493 1.658 7.976 1.00 0.14 N ATOM 518 CA LEU A 34 10.242 1.535 8.714 1.00 0.15 C ATOM 519 C LEU A 34 9.128 0.982 7.827 1.00 0.16 C ATOM 520 O LEU A 34 8.109 0.503 8.328 1.00 0.17 O ATOM 521 CB LEU A 34 9.837 2.888 9.317 1.00 0.13 C ATOM 522 CG LEU A 34 9.309 3.931 8.329 1.00 0.07 C ATOM 523 CD1 LEU A 34 7.792 4.001 8.383 1.00 0.12 C ATOM 524 CD2 LEU A 34 9.913 5.293 8.627 1.00 0.04 C ATOM 0 H LEU A 34 11.686 2.595 7.623 1.00 0.14 H new ATOM 0 HA LEU A 34 10.400 0.828 9.528 1.00 0.15 H new ATOM 0 HB2 LEU A 34 9.072 2.712 10.073 1.00 0.13 H new ATOM 0 HB3 LEU A 34 10.702 3.308 9.831 1.00 0.13 H new ATOM 0 HG LEU A 34 9.602 3.632 7.323 1.00 0.07 H new ATOM 0 HD11 LEU A 34 7.437 4.748 7.673 1.00 0.12 H new ATOM 0 HD12 LEU A 34 7.373 3.028 8.125 1.00 0.12 H new ATOM 0 HD13 LEU A 34 7.476 4.277 9.389 1.00 0.12 H new ATOM 0 HD21 LEU A 34 9.529 6.025 7.917 1.00 0.04 H new ATOM 0 HD22 LEU A 34 9.646 5.596 9.640 1.00 0.04 H new ATOM 0 HD23 LEU A 34 10.998 5.237 8.539 1.00 0.04 H new ATOM 536 N VAL A 35 9.335 1.037 6.511 1.00 0.16 N ATOM 537 CA VAL A 35 8.347 0.537 5.550 1.00 0.16 C ATOM 538 C VAL A 35 8.021 -0.926 5.829 1.00 0.13 C ATOM 539 O VAL A 35 6.854 -1.315 5.919 1.00 0.12 O ATOM 540 CB VAL A 35 8.852 0.668 4.094 1.00 0.20 C ATOM 541 CG1 VAL A 35 7.811 0.145 3.112 1.00 0.18 C ATOM 542 CG2 VAL A 35 9.205 2.111 3.775 1.00 0.25 C ATOM 0 H VAL A 35 10.178 1.423 6.084 1.00 0.16 H new ATOM 0 HA VAL A 35 7.450 1.146 5.667 1.00 0.16 H new ATOM 0 HB VAL A 35 9.753 0.063 3.993 1.00 0.20 H new ATOM 0 HG11 VAL A 35 8.187 0.247 2.094 1.00 0.18 H new ATOM 0 HG12 VAL A 35 7.609 -0.906 3.321 1.00 0.18 H new ATOM 0 HG13 VAL A 35 6.890 0.719 3.218 1.00 0.18 H new ATOM 0 HG21 VAL A 35 9.558 2.180 2.746 1.00 0.25 H new ATOM 0 HG22 VAL A 35 8.322 2.738 3.899 1.00 0.25 H new ATOM 0 HG23 VAL A 35 9.989 2.452 4.451 1.00 0.25 H new ATOM 552 N ALA A 36 9.067 -1.724 5.983 1.00 0.14 N ATOM 553 CA ALA A 36 8.914 -3.147 6.255 1.00 0.15 C ATOM 554 C ALA A 36 8.178 -3.393 7.569 1.00 0.12 C ATOM 555 O ALA A 36 7.263 -4.213 7.632 1.00 0.11 O ATOM 556 CB ALA A 36 10.273 -3.817 6.285 1.00 0.18 C ATOM 0 H ALA A 36 10.035 -1.409 5.924 1.00 0.14 H new ATOM 0 HA ALA A 36 8.314 -3.578 5.454 1.00 0.15 H new ATOM 0 HB1 ALA A 36 10.150 -4.881 6.489 1.00 0.18 H new ATOM 0 HB2 ALA A 36 10.764 -3.687 5.321 1.00 0.18 H new ATOM 0 HB3 ALA A 36 10.884 -3.366 7.067 1.00 0.18 H new ATOM 562 N ALA A 37 8.569 -2.654 8.603 1.00 0.13 N ATOM 563 CA ALA A 37 7.966 -2.792 9.927 1.00 0.11 C ATOM 564 C ALA A 37 6.485 -2.424 9.905 1.00 0.14 C ATOM 565 O ALA A 37 5.681 -3.006 10.636 1.00 0.20 O ATOM 566 CB ALA A 37 8.708 -1.927 10.937 1.00 0.13 C ATOM 0 H ALA A 37 9.305 -1.950 8.550 1.00 0.13 H new ATOM 0 HA ALA A 37 8.048 -3.837 10.225 1.00 0.11 H new ATOM 0 HB1 ALA A 37 8.249 -2.039 11.919 1.00 0.13 H new ATOM 0 HB2 ALA A 37 9.751 -2.239 10.987 1.00 0.13 H new ATOM 0 HB3 ALA A 37 8.656 -0.883 10.629 1.00 0.13 H new ATOM 572 N PHE A 38 6.136 -1.455 9.070 1.00 0.15 N ATOM 573 CA PHE A 38 4.758 -1.006 8.938 1.00 0.21 C ATOM 574 C PHE A 38 3.868 -2.135 8.416 1.00 0.21 C ATOM 575 O PHE A 38 2.841 -2.460 9.018 1.00 0.28 O ATOM 576 CB PHE A 38 4.698 0.212 8.006 1.00 0.26 C ATOM 577 CG PHE A 38 3.318 0.540 7.511 1.00 0.34 C ATOM 578 CD1 PHE A 38 2.315 0.912 8.393 1.00 0.41 C ATOM 579 CD2 PHE A 38 3.028 0.475 6.158 1.00 0.35 C ATOM 580 CE1 PHE A 38 1.048 1.211 7.932 1.00 0.50 C ATOM 581 CE2 PHE A 38 1.764 0.770 5.692 1.00 0.43 C ATOM 582 CZ PHE A 38 0.771 1.140 6.579 1.00 0.50 C ATOM 0 H PHE A 38 6.796 -0.961 8.469 1.00 0.15 H new ATOM 0 HA PHE A 38 4.385 -0.716 9.920 1.00 0.21 H new ATOM 0 HB2 PHE A 38 5.099 1.078 8.532 1.00 0.26 H new ATOM 0 HB3 PHE A 38 5.346 0.032 7.149 1.00 0.26 H new ATOM 0 HD1 PHE A 38 2.527 0.968 9.451 1.00 0.41 H new ATOM 0 HD2 PHE A 38 3.801 0.190 5.460 1.00 0.35 H new ATOM 0 HE1 PHE A 38 0.274 1.500 8.628 1.00 0.50 H new ATOM 0 HE2 PHE A 38 1.550 0.712 4.635 1.00 0.43 H new ATOM 0 HZ PHE A 38 -0.219 1.373 6.216 1.00 0.50 H new ATOM 592 N VAL A 39 4.285 -2.746 7.311 1.00 0.16 N ATOM 593 CA VAL A 39 3.527 -3.836 6.707 1.00 0.17 C ATOM 594 C VAL A 39 3.558 -5.073 7.603 1.00 0.16 C ATOM 595 O VAL A 39 2.565 -5.798 7.715 1.00 0.18 O ATOM 596 CB VAL A 39 4.075 -4.193 5.311 1.00 0.15 C ATOM 597 CG1 VAL A 39 3.212 -5.252 4.646 1.00 0.17 C ATOM 598 CG2 VAL A 39 4.158 -2.949 4.442 1.00 0.15 C ATOM 0 H VAL A 39 5.144 -2.505 6.816 1.00 0.16 H new ATOM 0 HA VAL A 39 2.497 -3.498 6.598 1.00 0.17 H new ATOM 0 HB VAL A 39 5.079 -4.601 5.431 1.00 0.15 H new ATOM 0 HG11 VAL A 39 3.618 -5.487 3.662 1.00 0.17 H new ATOM 0 HG12 VAL A 39 3.203 -6.152 5.260 1.00 0.17 H new ATOM 0 HG13 VAL A 39 2.194 -4.877 4.538 1.00 0.17 H new ATOM 0 HG21 VAL A 39 4.547 -3.217 3.459 1.00 0.15 H new ATOM 0 HG22 VAL A 39 3.164 -2.514 4.333 1.00 0.15 H new ATOM 0 HG23 VAL A 39 4.823 -2.222 4.909 1.00 0.15 H new ATOM 608 N ASP A 40 4.698 -5.289 8.250 1.00 0.12 N ATOM 609 CA ASP A 40 4.877 -6.423 9.155 1.00 0.11 C ATOM 610 C ASP A 40 3.845 -6.372 10.276 1.00 0.12 C ATOM 611 O ASP A 40 3.249 -7.387 10.645 1.00 0.13 O ATOM 612 CB ASP A 40 6.293 -6.410 9.737 1.00 0.09 C ATOM 613 CG ASP A 40 6.540 -7.545 10.713 1.00 0.09 C ATOM 614 OD1 ASP A 40 6.801 -8.680 10.260 1.00 1.03 O ATOM 615 OD2 ASP A 40 6.492 -7.303 11.940 1.00 1.14 O1- ATOM 0 H ASP A 40 5.519 -4.690 8.165 1.00 0.12 H new ATOM 0 HA ASP A 40 4.735 -7.347 8.594 1.00 0.11 H new ATOM 0 HB2 ASP A 40 7.016 -6.473 8.923 1.00 0.09 H new ATOM 0 HB3 ASP A 40 6.464 -5.459 10.242 1.00 0.09 H new ATOM 620 N ASP A 41 3.621 -5.170 10.792 1.00 0.12 N ATOM 621 CA ASP A 41 2.660 -4.949 11.865 1.00 0.13 C ATOM 622 C ASP A 41 1.226 -5.096 11.363 1.00 0.09 C ATOM 623 O ASP A 41 0.391 -5.714 12.020 1.00 0.07 O ATOM 624 CB ASP A 41 2.860 -3.557 12.468 1.00 0.16 C ATOM 625 CG ASP A 41 1.757 -3.173 13.430 1.00 0.13 C ATOM 626 OD1 ASP A 41 1.615 -3.843 14.472 1.00 0.12 O1- ATOM 627 OD2 ASP A 41 1.030 -2.198 13.143 1.00 0.22 O ATOM 0 H ASP A 41 4.098 -4.324 10.480 1.00 0.12 H new ATOM 0 HA ASP A 41 2.831 -5.705 12.632 1.00 0.13 H new ATOM 0 HB2 ASP A 41 3.817 -3.525 12.988 1.00 0.16 H new ATOM 0 HB3 ASP A 41 2.909 -2.821 11.665 1.00 0.16 H new ATOM 632 N LYS A 42 0.956 -4.539 10.190 1.00 0.10 N ATOM 633 CA LYS A 42 -0.380 -4.601 9.601 1.00 0.11 C ATOM 634 C LYS A 42 -0.832 -6.050 9.412 1.00 0.03 C ATOM 635 O LYS A 42 -1.992 -6.387 9.644 1.00 0.07 O ATOM 636 CB LYS A 42 -0.400 -3.869 8.253 1.00 0.19 C ATOM 637 CG LYS A 42 -1.803 -3.583 7.731 1.00 0.26 C ATOM 638 CD LYS A 42 -2.209 -2.135 7.967 1.00 0.28 C ATOM 639 CE LYS A 42 -3.480 -2.039 8.795 1.00 0.31 C ATOM 640 NZ LYS A 42 -3.892 -0.629 9.018 1.00 0.38 N1+ ATOM 0 H LYS A 42 1.643 -4.039 9.626 1.00 0.10 H new ATOM 0 HA LYS A 42 -1.072 -4.112 10.286 1.00 0.11 H new ATOM 0 HB2 LYS A 42 0.140 -2.927 8.353 1.00 0.19 H new ATOM 0 HB3 LYS A 42 0.137 -4.467 7.517 1.00 0.19 H new ATOM 0 HG2 LYS A 42 -1.846 -3.803 6.664 1.00 0.26 H new ATOM 0 HG3 LYS A 42 -2.516 -4.245 8.222 1.00 0.26 H new ATOM 0 HD2 LYS A 42 -1.402 -1.608 8.476 1.00 0.28 H new ATOM 0 HD3 LYS A 42 -2.360 -1.638 7.009 1.00 0.28 H new ATOM 0 HE2 LYS A 42 -4.283 -2.576 8.291 1.00 0.31 H new ATOM 0 HE3 LYS A 42 -3.324 -2.528 9.757 1.00 0.31 H new ATOM 0 HZ1 LYS A 42 -4.477 -0.570 9.876 1.00 0.38 H new ATOM 0 HZ2 LYS A 42 -3.047 -0.035 9.134 1.00 0.38 H new ATOM 0 HZ3 LYS A 42 -4.441 -0.294 8.200 1.00 0.38 H new ATOM 654 N MET A 43 0.096 -6.907 9.004 1.00 0.07 N ATOM 655 CA MET A 43 -0.203 -8.315 8.783 1.00 0.12 C ATOM 656 C MET A 43 -0.444 -9.039 10.103 1.00 0.16 C ATOM 657 O MET A 43 -1.193 -10.013 10.153 1.00 0.35 O ATOM 658 CB MET A 43 0.945 -8.984 8.025 1.00 0.18 C ATOM 659 CG MET A 43 0.506 -10.151 7.158 1.00 0.16 C ATOM 660 SD MET A 43 1.892 -11.122 6.536 1.00 0.26 S ATOM 661 CE MET A 43 2.962 -9.831 5.903 1.00 0.29 C ATOM 0 H MET A 43 1.065 -6.649 8.819 1.00 0.07 H new ATOM 0 HA MET A 43 -1.114 -8.377 8.187 1.00 0.12 H new ATOM 0 HB2 MET A 43 1.436 -8.241 7.397 1.00 0.18 H new ATOM 0 HB3 MET A 43 1.687 -9.335 8.743 1.00 0.18 H new ATOM 0 HG2 MET A 43 -0.154 -10.798 7.735 1.00 0.16 H new ATOM 0 HG3 MET A 43 -0.074 -9.774 6.316 1.00 0.16 H new ATOM 0 HE1 MET A 43 3.783 -10.280 5.345 1.00 0.29 H new ATOM 0 HE2 MET A 43 2.391 -9.176 5.245 1.00 0.29 H new ATOM 0 HE3 MET A 43 3.363 -9.251 6.734 1.00 0.29 H new ATOM 671 N HIS A 44 0.172 -8.543 11.171 1.00 0.02 N ATOM 672 CA HIS A 44 0.034 -9.153 12.492 1.00 0.04 C ATOM 673 C HIS A 44 -1.426 -9.205 12.945 1.00 0.05 C ATOM 674 O HIS A 44 -1.933 -10.272 13.290 1.00 0.20 O ATOM 675 CB HIS A 44 0.860 -8.398 13.540 1.00 0.08 C ATOM 676 CG HIS A 44 2.178 -9.033 13.869 1.00 0.11 C ATOM 677 ND1 HIS A 44 2.300 -10.134 14.690 1.00 0.27 N ATOM 678 CD2 HIS A 44 3.438 -8.708 13.494 1.00 0.29 C ATOM 679 CE1 HIS A 44 3.576 -10.456 14.808 1.00 0.38 C ATOM 680 NE2 HIS A 44 4.286 -9.607 14.092 1.00 0.40 N ATOM 0 H HIS A 44 0.773 -7.719 11.149 1.00 0.02 H new ATOM 0 HA HIS A 44 0.408 -10.173 12.404 1.00 0.04 H new ATOM 0 HB2 HIS A 44 1.039 -7.384 13.182 1.00 0.08 H new ATOM 0 HB3 HIS A 44 0.273 -8.314 14.455 1.00 0.08 H new ATOM 0 HD2 HIS A 44 3.723 -7.893 12.845 1.00 0.29 H new ATOM 0 HE1 HIS A 44 3.970 -11.275 15.391 1.00 0.38 H new ATOM 0 HE2 HIS A 44 5.302 -9.616 13.997 1.00 0.40 H new ATOM 689 N GLU A 45 -2.102 -8.060 12.922 1.00 0.16 N ATOM 690 CA GLU A 45 -3.495 -7.986 13.362 1.00 0.15 C ATOM 691 C GLU A 45 -4.433 -8.766 12.436 1.00 0.15 C ATOM 692 O GLU A 45 -5.450 -9.309 12.881 1.00 0.17 O ATOM 693 CB GLU A 45 -3.951 -6.522 13.473 1.00 0.12 C ATOM 694 CG GLU A 45 -4.041 -5.791 12.138 1.00 0.09 C ATOM 695 CD GLU A 45 -4.760 -4.463 12.251 1.00 0.12 C ATOM 696 OE1 GLU A 45 -5.998 -4.465 12.430 1.00 0.16 O ATOM 697 OE2 GLU A 45 -4.095 -3.411 12.171 1.00 0.21 O1- ATOM 0 H GLU A 45 -1.711 -7.173 12.605 1.00 0.16 H new ATOM 0 HA GLU A 45 -3.546 -8.450 14.347 1.00 0.15 H new ATOM 0 HB2 GLU A 45 -4.928 -6.493 13.956 1.00 0.12 H new ATOM 0 HB3 GLU A 45 -3.258 -5.986 14.122 1.00 0.12 H new ATOM 0 HG2 GLU A 45 -3.036 -5.624 11.750 1.00 0.09 H new ATOM 0 HG3 GLU A 45 -4.561 -6.422 11.417 1.00 0.09 H new ATOM 704 N PHE A 46 -4.084 -8.847 11.158 1.00 0.15 N ATOM 705 CA PHE A 46 -4.915 -9.560 10.199 1.00 0.14 C ATOM 706 C PHE A 46 -4.754 -11.074 10.330 1.00 0.16 C ATOM 707 O PHE A 46 -5.664 -11.826 9.979 1.00 0.17 O ATOM 708 CB PHE A 46 -4.615 -9.096 8.772 1.00 0.14 C ATOM 709 CG PHE A 46 -5.354 -7.844 8.400 1.00 0.15 C ATOM 710 CD1 PHE A 46 -6.741 -7.823 8.383 1.00 0.13 C ATOM 711 CD2 PHE A 46 -4.669 -6.686 8.072 1.00 0.18 C ATOM 712 CE1 PHE A 46 -7.425 -6.671 8.048 1.00 0.14 C ATOM 713 CE2 PHE A 46 -5.346 -5.534 7.734 1.00 0.19 C ATOM 714 CZ PHE A 46 -6.726 -5.526 7.723 1.00 0.17 C ATOM 0 H PHE A 46 -3.239 -8.432 10.765 1.00 0.15 H new ATOM 0 HA PHE A 46 -5.955 -9.324 10.423 1.00 0.14 H new ATOM 0 HB2 PHE A 46 -3.544 -8.924 8.668 1.00 0.14 H new ATOM 0 HB3 PHE A 46 -4.880 -9.890 8.074 1.00 0.14 H new ATOM 0 HD1 PHE A 46 -7.292 -8.717 8.634 1.00 0.13 H new ATOM 0 HD2 PHE A 46 -3.589 -6.686 8.081 1.00 0.18 H new ATOM 0 HE1 PHE A 46 -8.505 -6.666 8.040 1.00 0.14 H new ATOM 0 HE2 PHE A 46 -4.798 -4.639 7.478 1.00 0.19 H new ATOM 0 HZ PHE A 46 -7.259 -4.624 7.460 1.00 0.17 H new ATOM 724 N SER A 47 -3.612 -11.520 10.853 1.00 0.21 N ATOM 725 CA SER A 47 -3.366 -12.950 11.044 1.00 0.23 C ATOM 726 C SER A 47 -4.369 -13.533 12.036 1.00 0.21 C ATOM 727 O SER A 47 -4.717 -14.710 11.971 1.00 0.32 O ATOM 728 CB SER A 47 -1.940 -13.190 11.554 1.00 0.25 C ATOM 729 OG SER A 47 -0.974 -12.578 10.712 1.00 0.76 O ATOM 0 H SER A 47 -2.846 -10.916 11.151 1.00 0.21 H new ATOM 0 HA SER A 47 -3.485 -13.446 10.081 1.00 0.23 H new ATOM 0 HB2 SER A 47 -1.844 -12.796 12.566 1.00 0.25 H new ATOM 0 HB3 SER A 47 -1.748 -14.262 11.610 1.00 0.25 H new ATOM 0 HG SER A 47 -0.968 -11.611 10.870 1.00 0.76 H new ATOM 735 N GLU A 48 -4.841 -12.683 12.936 1.00 0.09 N ATOM 736 CA GLU A 48 -5.799 -13.082 13.955 1.00 0.08 C ATOM 737 C GLU A 48 -7.217 -13.154 13.384 1.00 0.10 C ATOM 738 O GLU A 48 -8.089 -13.826 13.938 1.00 0.07 O ATOM 739 CB GLU A 48 -5.746 -12.076 15.104 1.00 0.11 C ATOM 740 CG GLU A 48 -6.731 -12.348 16.225 1.00 0.06 C ATOM 741 CD GLU A 48 -6.883 -11.160 17.148 1.00 0.28 C ATOM 742 OE1 GLU A 48 -7.541 -10.175 16.753 1.00 0.61 O ATOM 743 OE2 GLU A 48 -6.344 -11.198 18.272 1.00 0.49 O1- ATOM 0 H GLU A 48 -4.571 -11.700 12.980 1.00 0.09 H new ATOM 0 HA GLU A 48 -5.537 -14.076 14.316 1.00 0.08 H new ATOM 0 HB2 GLU A 48 -4.737 -12.069 15.517 1.00 0.11 H new ATOM 0 HB3 GLU A 48 -5.934 -11.079 14.706 1.00 0.11 H new ATOM 0 HG2 GLU A 48 -7.702 -12.603 15.800 1.00 0.06 H new ATOM 0 HG3 GLU A 48 -6.397 -13.212 16.799 1.00 0.06 H new ATOM 750 N LYS A 49 -7.436 -12.470 12.268 1.00 0.14 N ATOM 751 CA LYS A 49 -8.752 -12.433 11.639 1.00 0.18 C ATOM 752 C LYS A 49 -9.037 -13.715 10.864 1.00 0.27 C ATOM 753 O LYS A 49 -10.153 -14.235 10.909 1.00 0.38 O ATOM 754 CB LYS A 49 -8.861 -11.219 10.710 1.00 0.12 C ATOM 755 CG LYS A 49 -8.529 -9.891 11.379 1.00 0.20 C ATOM 756 CD LYS A 49 -9.559 -9.510 12.434 1.00 0.43 C ATOM 757 CE LYS A 49 -9.085 -9.859 13.837 1.00 0.64 C ATOM 758 NZ LYS A 49 -7.938 -9.015 14.274 1.00 0.88 N1+ ATOM 0 H LYS A 49 -6.720 -11.933 11.779 1.00 0.14 H new ATOM 0 HA LYS A 49 -9.497 -12.347 12.430 1.00 0.18 H new ATOM 0 HB2 LYS A 49 -8.192 -11.363 9.862 1.00 0.12 H new ATOM 0 HB3 LYS A 49 -9.875 -11.170 10.312 1.00 0.12 H new ATOM 0 HG2 LYS A 49 -7.544 -9.954 11.841 1.00 0.20 H new ATOM 0 HG3 LYS A 49 -8.477 -9.107 10.623 1.00 0.20 H new ATOM 0 HD2 LYS A 49 -9.762 -8.441 12.374 1.00 0.43 H new ATOM 0 HD3 LYS A 49 -10.498 -10.025 12.229 1.00 0.43 H new ATOM 0 HE2 LYS A 49 -9.911 -9.736 14.538 1.00 0.64 H new ATOM 0 HE3 LYS A 49 -8.793 -10.909 13.869 1.00 0.64 H new ATOM 0 HZ1 LYS A 49 -7.749 -9.182 15.283 1.00 0.88 H new ATOM 0 HZ2 LYS A 49 -7.094 -9.261 13.718 1.00 0.88 H new ATOM 0 HZ3 LYS A 49 -8.169 -8.012 14.126 1.00 0.88 H new ATOM 772 N GLN A 50 -8.016 -14.215 10.163 1.00 0.30 N ATOM 773 CA GLN A 50 -8.132 -15.442 9.365 1.00 0.41 C ATOM 774 C GLN A 50 -9.323 -15.381 8.398 1.00 0.29 C ATOM 775 O GLN A 50 -10.343 -16.031 8.618 1.00 0.47 O ATOM 776 CB GLN A 50 -8.265 -16.664 10.277 1.00 0.63 C ATOM 777 CG GLN A 50 -7.009 -16.969 11.074 1.00 0.78 C ATOM 778 CD GLN A 50 -7.238 -18.032 12.131 1.00 0.93 C ATOM 779 OE1 GLN A 50 -8.339 -18.168 12.664 1.00 0.94 O ATOM 780 NE2 GLN A 50 -6.200 -18.791 12.442 1.00 1.07 N ATOM 0 H GLN A 50 -7.091 -13.786 10.131 1.00 0.30 H new ATOM 0 HA GLN A 50 -7.221 -15.532 8.773 1.00 0.41 H new ATOM 0 HB2 GLN A 50 -9.093 -16.503 10.967 1.00 0.63 H new ATOM 0 HB3 GLN A 50 -8.520 -17.533 9.671 1.00 0.63 H new ATOM 0 HG2 GLN A 50 -6.223 -17.299 10.395 1.00 0.78 H new ATOM 0 HG3 GLN A 50 -6.655 -16.056 11.552 1.00 0.78 H new ATOM 0 HE21 GLN A 50 -5.304 -18.646 11.976 1.00 1.07 H new ATOM 0 HE22 GLN A 50 -6.296 -19.522 13.147 1.00 1.07 H new ATOM 789 N PRO A 51 -9.209 -14.595 7.310 1.00 0.11 N ATOM 790 CA PRO A 51 -10.287 -14.462 6.329 1.00 0.09 C ATOM 791 C PRO A 51 -10.431 -15.699 5.438 1.00 0.05 C ATOM 792 O PRO A 51 -11.535 -16.208 5.244 1.00 0.20 O ATOM 793 CB PRO A 51 -9.877 -13.238 5.504 1.00 0.32 C ATOM 794 CG PRO A 51 -8.396 -13.128 5.654 1.00 0.44 C ATOM 795 CD PRO A 51 -8.033 -13.774 6.967 1.00 0.34 C ATOM 0 HA PRO A 51 -11.259 -14.355 6.810 1.00 0.09 H new ATOM 0 HB2 PRO A 51 -10.157 -13.360 4.458 1.00 0.32 H new ATOM 0 HB3 PRO A 51 -10.375 -12.338 5.865 1.00 0.32 H new ATOM 0 HG2 PRO A 51 -7.887 -13.624 4.827 1.00 0.44 H new ATOM 0 HG3 PRO A 51 -8.084 -12.084 5.640 1.00 0.44 H new ATOM 0 HD2 PRO A 51 -7.135 -14.385 6.874 1.00 0.34 H new ATOM 0 HD3 PRO A 51 -7.832 -13.027 7.735 1.00 0.34 H new ATOM 803 N MET A 52 -9.315 -16.176 4.899 1.00 0.10 N ATOM 804 CA MET A 52 -9.331 -17.349 4.029 1.00 0.14 C ATOM 805 C MET A 52 -8.447 -18.455 4.590 1.00 0.14 C ATOM 806 O MET A 52 -8.220 -19.464 3.925 1.00 0.16 O ATOM 807 CB MET A 52 -8.855 -16.980 2.623 1.00 0.25 C ATOM 808 CG MET A 52 -9.872 -16.192 1.812 1.00 0.17 C ATOM 809 SD MET A 52 -11.368 -17.135 1.467 1.00 0.22 S ATOM 810 CE MET A 52 -12.232 -16.010 0.374 1.00 1.11 C ATOM 0 H MET A 52 -8.390 -15.771 5.047 1.00 0.10 H new ATOM 0 HA MET A 52 -10.358 -17.711 3.978 1.00 0.14 H new ATOM 0 HB2 MET A 52 -7.938 -16.396 2.703 1.00 0.25 H new ATOM 0 HB3 MET A 52 -8.605 -17.894 2.084 1.00 0.25 H new ATOM 0 HG2 MET A 52 -10.137 -15.284 2.353 1.00 0.17 H new ATOM 0 HG3 MET A 52 -9.418 -15.882 0.871 1.00 0.17 H new ATOM 0 HE1 MET A 52 -13.181 -16.453 0.072 1.00 1.11 H new ATOM 0 HE2 MET A 52 -12.419 -15.070 0.893 1.00 1.11 H new ATOM 0 HE3 MET A 52 -11.622 -15.821 -0.510 1.00 1.11 H new ATOM 820 N LEU A 53 -7.963 -18.252 5.818 1.00 0.15 N ATOM 821 CA LEU A 53 -7.088 -19.215 6.492 1.00 0.17 C ATOM 822 C LEU A 53 -5.922 -19.639 5.599 1.00 0.20 C ATOM 823 O LEU A 53 -5.625 -20.825 5.467 1.00 0.41 O ATOM 824 CB LEU A 53 -7.892 -20.442 6.941 1.00 0.19 C ATOM 825 CG LEU A 53 -8.637 -20.282 8.269 1.00 0.36 C ATOM 826 CD1 LEU A 53 -9.735 -21.328 8.401 1.00 0.31 C ATOM 827 CD2 LEU A 53 -7.668 -20.381 9.442 1.00 0.51 C ATOM 0 H LEU A 53 -8.165 -17.419 6.371 1.00 0.15 H new ATOM 0 HA LEU A 53 -6.669 -18.724 7.370 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -8.616 -20.687 6.164 1.00 0.19 H new ATOM 0 HB3 LEU A 53 -7.213 -21.291 7.023 1.00 0.19 H new ATOM 0 HG LEU A 53 -9.099 -19.295 8.282 1.00 0.36 H new ATOM 0 HD11 LEU A 53 -10.251 -21.196 9.352 1.00 0.31 H new ATOM 0 HD12 LEU A 53 -10.446 -21.214 7.583 1.00 0.31 H new ATOM 0 HD13 LEU A 53 -9.295 -22.324 8.363 1.00 0.31 H new ATOM 0 HD21 LEU A 53 -8.216 -20.265 10.377 1.00 0.51 H new ATOM 0 HD22 LEU A 53 -7.177 -21.354 9.427 1.00 0.51 H new ATOM 0 HD23 LEU A 53 -6.917 -19.595 9.361 1.00 0.51 H new ATOM 839 N ASP A 54 -5.258 -18.661 4.994 1.00 0.04 N ATOM 840 CA ASP A 54 -4.133 -18.942 4.115 1.00 0.08 C ATOM 841 C ASP A 54 -3.171 -17.761 4.091 1.00 0.06 C ATOM 842 O ASP A 54 -3.602 -16.606 4.061 1.00 0.07 O ATOM 843 CB ASP A 54 -4.628 -19.254 2.701 1.00 0.12 C ATOM 844 CG ASP A 54 -3.579 -19.950 1.863 1.00 0.14 C ATOM 845 OD1 ASP A 54 -2.553 -20.383 2.426 1.00 0.21 O ATOM 846 OD2 ASP A 54 -3.776 -20.067 0.635 1.00 0.47 O1- ATOM 0 H ASP A 54 -5.479 -17.671 5.096 1.00 0.04 H new ATOM 0 HA ASP A 54 -3.603 -19.814 4.498 1.00 0.08 H new ATOM 0 HB2 ASP A 54 -5.517 -19.882 2.761 1.00 0.12 H new ATOM 0 HB3 ASP A 54 -4.925 -18.327 2.210 1.00 0.12 H new ATOM 851 N VAL A 55 -1.877 -18.061 4.097 1.00 0.06 N ATOM 852 CA VAL A 55 -0.830 -17.036 4.101 1.00 0.07 C ATOM 853 C VAL A 55 -0.903 -16.101 2.877 1.00 0.06 C ATOM 854 O VAL A 55 -0.982 -14.882 3.043 1.00 0.06 O ATOM 855 CB VAL A 55 0.581 -17.663 4.188 1.00 0.09 C ATOM 856 CG1 VAL A 55 1.645 -16.582 4.311 1.00 0.08 C ATOM 857 CG2 VAL A 55 0.670 -18.631 5.357 1.00 0.13 C ATOM 0 H VAL A 55 -1.521 -19.017 4.099 1.00 0.06 H new ATOM 0 HA VAL A 55 -1.011 -16.436 4.992 1.00 0.07 H new ATOM 0 HB VAL A 55 0.760 -18.219 3.268 1.00 0.09 H new ATOM 0 HG11 VAL A 55 2.630 -17.046 4.371 1.00 0.08 H new ATOM 0 HG12 VAL A 55 1.603 -15.930 3.439 1.00 0.08 H new ATOM 0 HG13 VAL A 55 1.465 -15.995 5.212 1.00 0.08 H new ATOM 0 HG21 VAL A 55 1.671 -19.060 5.399 1.00 0.13 H new ATOM 0 HG22 VAL A 55 0.464 -18.099 6.286 1.00 0.13 H new ATOM 0 HG23 VAL A 55 -0.061 -19.429 5.225 1.00 0.13 H new ATOM 867 N PRO A 56 -0.870 -16.633 1.628 1.00 0.05 N ATOM 868 CA PRO A 56 -0.935 -15.796 0.421 1.00 0.04 C ATOM 869 C PRO A 56 -2.175 -14.909 0.387 1.00 0.04 C ATOM 870 O PRO A 56 -2.124 -13.773 -0.087 1.00 0.04 O ATOM 871 CB PRO A 56 -0.964 -16.804 -0.735 1.00 0.05 C ATOM 872 CG PRO A 56 -1.294 -18.115 -0.111 1.00 0.06 C ATOM 873 CD PRO A 56 -0.743 -18.059 1.281 1.00 0.06 C ATOM 0 HA PRO A 56 -0.092 -15.106 0.373 1.00 0.04 H new ATOM 0 HB2 PRO A 56 -1.709 -16.525 -1.480 1.00 0.05 H new ATOM 0 HB3 PRO A 56 -0.002 -16.843 -1.246 1.00 0.05 H new ATOM 0 HG2 PRO A 56 -2.371 -18.281 -0.098 1.00 0.06 H new ATOM 0 HG3 PRO A 56 -0.852 -18.937 -0.673 1.00 0.06 H new ATOM 0 HD2 PRO A 56 -1.307 -18.693 1.965 1.00 0.06 H new ATOM 0 HD3 PRO A 56 0.294 -18.393 1.319 1.00 0.06 H new ATOM 881 N LYS A 57 -3.279 -15.424 0.916 1.00 0.05 N ATOM 882 CA LYS A 57 -4.531 -14.680 0.941 1.00 0.05 C ATOM 883 C LYS A 57 -4.470 -13.543 1.958 1.00 0.06 C ATOM 884 O LYS A 57 -5.206 -12.564 1.857 1.00 0.08 O ATOM 885 CB LYS A 57 -5.708 -15.601 1.262 1.00 0.06 C ATOM 886 CG LYS A 57 -6.315 -16.281 0.042 1.00 0.09 C ATOM 887 CD LYS A 57 -5.421 -17.384 -0.503 1.00 0.11 C ATOM 888 CE LYS A 57 -6.243 -18.492 -1.146 1.00 0.12 C ATOM 889 NZ LYS A 57 -5.428 -19.701 -1.440 1.00 0.10 N1+ ATOM 0 H LYS A 57 -3.332 -16.353 1.333 1.00 0.05 H new ATOM 0 HA LYS A 57 -4.681 -14.254 -0.051 1.00 0.05 H new ATOM 0 HB2 LYS A 57 -5.376 -16.366 1.964 1.00 0.06 H new ATOM 0 HB3 LYS A 57 -6.482 -15.022 1.765 1.00 0.06 H new ATOM 0 HG2 LYS A 57 -7.286 -16.700 0.307 1.00 0.09 H new ATOM 0 HG3 LYS A 57 -6.490 -15.539 -0.737 1.00 0.09 H new ATOM 0 HD2 LYS A 57 -4.731 -16.967 -1.237 1.00 0.11 H new ATOM 0 HD3 LYS A 57 -4.816 -17.798 0.304 1.00 0.11 H new ATOM 0 HE2 LYS A 57 -7.065 -18.763 -0.483 1.00 0.12 H new ATOM 0 HE3 LYS A 57 -6.687 -18.122 -2.070 1.00 0.12 H new ATOM 0 HZ1 LYS A 57 -6.050 -20.532 -1.501 1.00 0.10 H new ATOM 0 HZ2 LYS A 57 -4.931 -19.573 -2.345 1.00 0.10 H new ATOM 0 HZ3 LYS A 57 -4.732 -19.844 -0.680 1.00 0.10 H new ATOM 903 N LEU A 58 -3.585 -13.679 2.937 1.00 0.05 N ATOM 904 CA LEU A 58 -3.420 -12.665 3.973 1.00 0.06 C ATOM 905 C LEU A 58 -2.525 -11.534 3.477 1.00 0.06 C ATOM 906 O LEU A 58 -2.792 -10.355 3.720 1.00 0.08 O ATOM 907 CB LEU A 58 -2.805 -13.287 5.231 1.00 0.06 C ATOM 908 CG LEU A 58 -2.948 -12.451 6.504 1.00 0.11 C ATOM 909 CD1 LEU A 58 -4.319 -12.667 7.121 1.00 0.07 C ATOM 910 CD2 LEU A 58 -1.847 -12.794 7.494 1.00 0.17 C ATOM 0 H LEU A 58 -2.968 -14.485 3.036 1.00 0.05 H new ATOM 0 HA LEU A 58 -4.403 -12.261 4.214 1.00 0.06 H new ATOM 0 HB2 LEU A 58 -3.267 -14.260 5.400 1.00 0.06 H new ATOM 0 HB3 LEU A 58 -1.745 -13.465 5.049 1.00 0.06 H new ATOM 0 HG LEU A 58 -2.850 -11.397 6.244 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -4.409 -12.067 8.026 1.00 0.07 H new ATOM 0 HD12 LEU A 58 -5.089 -12.369 6.410 1.00 0.07 H new ATOM 0 HD13 LEU A 58 -4.444 -13.721 7.370 1.00 0.07 H new ATOM 0 HD21 LEU A 58 -1.965 -12.189 8.393 1.00 0.17 H new ATOM 0 HD22 LEU A 58 -1.909 -13.850 7.756 1.00 0.17 H new ATOM 0 HD23 LEU A 58 -0.876 -12.589 7.044 1.00 0.17 H new ATOM 922 N ALA A 59 -1.467 -11.908 2.770 1.00 0.05 N ATOM 923 CA ALA A 59 -0.510 -10.947 2.235 1.00 0.06 C ATOM 924 C ALA A 59 -1.164 -10.019 1.213 1.00 0.08 C ATOM 925 O ALA A 59 -0.881 -8.821 1.178 1.00 0.11 O ATOM 926 CB ALA A 59 0.668 -11.681 1.623 1.00 0.06 C ATOM 0 H ALA A 59 -1.248 -12.880 2.552 1.00 0.05 H new ATOM 0 HA ALA A 59 -0.152 -10.325 3.055 1.00 0.06 H new ATOM 0 HB1 ALA A 59 1.380 -10.958 1.225 1.00 0.06 H new ATOM 0 HB2 ALA A 59 1.155 -12.287 2.386 1.00 0.06 H new ATOM 0 HB3 ALA A 59 0.316 -12.326 0.817 1.00 0.06 H new ATOM 932 N VAL A 60 -2.043 -10.567 0.386 1.00 0.05 N ATOM 933 CA VAL A 60 -2.729 -9.762 -0.617 1.00 0.07 C ATOM 934 C VAL A 60 -3.817 -8.906 0.036 1.00 0.07 C ATOM 935 O VAL A 60 -4.152 -7.823 -0.454 1.00 0.08 O ATOM 936 CB VAL A 60 -3.341 -10.637 -1.738 1.00 0.07 C ATOM 937 CG1 VAL A 60 -4.515 -11.457 -1.228 1.00 0.07 C ATOM 938 CG2 VAL A 60 -3.767 -9.778 -2.922 1.00 0.08 C ATOM 0 H VAL A 60 -2.297 -11.555 0.388 1.00 0.05 H new ATOM 0 HA VAL A 60 -1.986 -9.109 -1.074 1.00 0.07 H new ATOM 0 HB VAL A 60 -2.569 -11.331 -2.070 1.00 0.07 H new ATOM 0 HG11 VAL A 60 -4.919 -12.059 -2.042 1.00 0.07 H new ATOM 0 HG12 VAL A 60 -4.179 -12.112 -0.424 1.00 0.07 H new ATOM 0 HG13 VAL A 60 -5.289 -10.789 -0.852 1.00 0.07 H new ATOM 0 HG21 VAL A 60 -4.194 -10.414 -3.698 1.00 0.08 H new ATOM 0 HG22 VAL A 60 -4.512 -9.053 -2.596 1.00 0.08 H new ATOM 0 HG23 VAL A 60 -2.900 -9.252 -3.321 1.00 0.08 H new ATOM 948 N LEU A 61 -4.341 -9.388 1.159 1.00 0.07 N ATOM 949 CA LEU A 61 -5.383 -8.679 1.887 1.00 0.08 C ATOM 950 C LEU A 61 -4.825 -7.399 2.493 1.00 0.08 C ATOM 951 O LEU A 61 -5.486 -6.363 2.507 1.00 0.08 O ATOM 952 CB LEU A 61 -5.966 -9.564 2.990 1.00 0.10 C ATOM 953 CG LEU A 61 -7.190 -8.991 3.703 1.00 0.10 C ATOM 954 CD1 LEU A 61 -8.453 -9.274 2.906 1.00 0.11 C ATOM 955 CD2 LEU A 61 -7.299 -9.559 5.108 1.00 0.07 C ATOM 0 H LEU A 61 -4.058 -10.271 1.584 1.00 0.07 H new ATOM 0 HA LEU A 61 -6.178 -8.424 1.186 1.00 0.08 H new ATOM 0 HB2 LEU A 61 -6.235 -10.527 2.557 1.00 0.10 H new ATOM 0 HB3 LEU A 61 -5.189 -9.753 3.731 1.00 0.10 H new ATOM 0 HG LEU A 61 -7.073 -7.910 3.780 1.00 0.10 H new ATOM 0 HD11 LEU A 61 -9.314 -8.859 3.429 1.00 0.11 H new ATOM 0 HD12 LEU A 61 -8.372 -8.816 1.920 1.00 0.11 H new ATOM 0 HD13 LEU A 61 -8.580 -10.351 2.796 1.00 0.11 H new ATOM 0 HD21 LEU A 61 -8.176 -9.141 5.602 1.00 0.07 H new ATOM 0 HD22 LEU A 61 -7.395 -10.644 5.056 1.00 0.07 H new ATOM 0 HD23 LEU A 61 -6.405 -9.301 5.675 1.00 0.07 H new ATOM 967 N THR A 62 -3.598 -7.475 2.983 1.00 0.10 N ATOM 968 CA THR A 62 -2.960 -6.320 3.582 1.00 0.11 C ATOM 969 C THR A 62 -2.584 -5.304 2.511 1.00 0.10 C ATOM 970 O THR A 62 -2.666 -4.094 2.735 1.00 0.13 O ATOM 971 CB THR A 62 -1.706 -6.730 4.376 1.00 0.13 C ATOM 972 OG1 THR A 62 -1.216 -7.991 3.903 1.00 0.12 O ATOM 973 CG2 THR A 62 -2.011 -6.833 5.855 1.00 0.15 C ATOM 0 H THR A 62 -3.028 -8.321 2.977 1.00 0.10 H new ATOM 0 HA THR A 62 -3.672 -5.865 4.271 1.00 0.11 H new ATOM 0 HB THR A 62 -0.947 -5.962 4.228 1.00 0.13 H new ATOM 0 HG1 THR A 62 -1.136 -7.965 2.927 1.00 0.12 H new ATOM 0 HG21 THR A 62 -1.109 -7.124 6.393 1.00 0.15 H new ATOM 0 HG22 THR A 62 -2.358 -5.867 6.223 1.00 0.15 H new ATOM 0 HG23 THR A 62 -2.787 -7.582 6.015 1.00 0.15 H new ATOM 981 N ALA A 63 -2.198 -5.809 1.343 1.00 0.08 N ATOM 982 CA ALA A 63 -1.813 -4.961 0.222 1.00 0.08 C ATOM 983 C ALA A 63 -2.959 -4.051 -0.203 1.00 0.07 C ATOM 984 O ALA A 63 -2.787 -2.839 -0.329 1.00 0.08 O ATOM 985 CB ALA A 63 -1.358 -5.816 -0.953 1.00 0.08 C ATOM 0 H ALA A 63 -2.144 -6.809 1.149 1.00 0.08 H new ATOM 0 HA ALA A 63 -0.985 -4.331 0.547 1.00 0.08 H new ATOM 0 HB1 ALA A 63 -1.073 -5.171 -1.784 1.00 0.08 H new ATOM 0 HB2 ALA A 63 -0.502 -6.421 -0.653 1.00 0.08 H new ATOM 0 HB3 ALA A 63 -2.173 -6.470 -1.264 1.00 0.08 H new ATOM 991 N VAL A 64 -4.133 -4.640 -0.404 1.00 0.07 N ATOM 992 CA VAL A 64 -5.306 -3.881 -0.825 1.00 0.08 C ATOM 993 C VAL A 64 -5.784 -2.934 0.282 1.00 0.09 C ATOM 994 O VAL A 64 -6.283 -1.843 -0.001 1.00 0.12 O ATOM 995 CB VAL A 64 -6.460 -4.809 -1.292 1.00 0.08 C ATOM 996 CG1 VAL A 64 -6.935 -5.726 -0.178 1.00 0.05 C ATOM 997 CG2 VAL A 64 -7.622 -3.999 -1.847 1.00 0.12 C ATOM 0 H VAL A 64 -4.298 -5.639 -0.282 1.00 0.07 H new ATOM 0 HA VAL A 64 -5.003 -3.278 -1.681 1.00 0.08 H new ATOM 0 HB VAL A 64 -6.063 -5.437 -2.090 1.00 0.08 H new ATOM 0 HG11 VAL A 64 -7.743 -6.358 -0.547 1.00 0.05 H new ATOM 0 HG12 VAL A 64 -6.107 -6.352 0.156 1.00 0.05 H new ATOM 0 HG13 VAL A 64 -7.296 -5.127 0.658 1.00 0.05 H new ATOM 0 HG21 VAL A 64 -8.416 -4.674 -2.167 1.00 0.12 H new ATOM 0 HG22 VAL A 64 -8.002 -3.331 -1.074 1.00 0.12 H new ATOM 0 HG23 VAL A 64 -7.281 -3.410 -2.699 1.00 0.12 H new ATOM 1007 N GLN A 65 -5.604 -3.336 1.538 1.00 0.08 N ATOM 1008 CA GLN A 65 -6.010 -2.501 2.666 1.00 0.09 C ATOM 1009 C GLN A 65 -5.124 -1.261 2.744 1.00 0.07 C ATOM 1010 O GLN A 65 -5.622 -0.137 2.796 1.00 0.12 O ATOM 1011 CB GLN A 65 -5.949 -3.284 3.981 1.00 0.10 C ATOM 1012 CG GLN A 65 -7.287 -3.910 4.374 1.00 0.10 C ATOM 1013 CD GLN A 65 -8.205 -2.938 5.091 1.00 0.24 C ATOM 1014 OE1 GLN A 65 -8.172 -1.734 4.848 1.00 0.81 O ATOM 1015 NE2 GLN A 65 -9.033 -3.458 5.982 1.00 0.31 N ATOM 0 H GLN A 65 -5.183 -4.228 1.799 1.00 0.08 H new ATOM 0 HA GLN A 65 -7.043 -2.190 2.508 1.00 0.09 H new ATOM 0 HB2 GLN A 65 -5.200 -4.071 3.893 1.00 0.10 H new ATOM 0 HB3 GLN A 65 -5.620 -2.617 4.778 1.00 0.10 H new ATOM 0 HG2 GLN A 65 -7.786 -4.280 3.479 1.00 0.10 H new ATOM 0 HG3 GLN A 65 -7.105 -4.771 5.017 1.00 0.10 H new ATOM 0 HE21 GLN A 65 -9.030 -4.463 6.155 1.00 0.31 H new ATOM 0 HE22 GLN A 65 -9.674 -2.854 6.496 1.00 0.31 H new ATOM 1024 N ILE A 66 -3.809 -1.474 2.726 1.00 0.02 N ATOM 1025 CA ILE A 66 -2.851 -0.374 2.778 1.00 0.03 C ATOM 1026 C ILE A 66 -3.066 0.564 1.594 1.00 0.05 C ATOM 1027 O ILE A 66 -3.049 1.789 1.739 1.00 0.18 O ATOM 1028 CB ILE A 66 -1.391 -0.894 2.766 1.00 0.10 C ATOM 1029 CG1 ILE A 66 -1.083 -1.646 4.066 1.00 0.74 C ATOM 1030 CG2 ILE A 66 -0.414 0.257 2.567 1.00 0.71 C ATOM 1031 CD1 ILE A 66 0.156 -2.510 3.996 1.00 1.29 C ATOM 0 H ILE A 66 -3.384 -2.400 2.676 1.00 0.02 H new ATOM 0 HA ILE A 66 -3.016 0.166 3.710 1.00 0.03 H new ATOM 0 HB ILE A 66 -1.276 -1.586 1.931 1.00 0.10 H new ATOM 0 HG12 ILE A 66 -0.965 -0.923 4.873 1.00 0.74 H new ATOM 0 HG13 ILE A 66 -1.937 -2.273 4.323 1.00 0.74 H new ATOM 0 HG21 ILE A 66 0.606 -0.128 2.561 1.00 0.71 H new ATOM 0 HG22 ILE A 66 -0.621 0.750 1.617 1.00 0.71 H new ATOM 0 HG23 ILE A 66 -0.526 0.974 3.380 1.00 0.71 H new ATOM 0 HD11 ILE A 66 0.306 -3.009 4.953 1.00 1.29 H new ATOM 0 HD12 ILE A 66 0.034 -3.258 3.212 1.00 1.29 H new ATOM 0 HD13 ILE A 66 1.022 -1.887 3.772 1.00 1.29 H new ATOM 1043 N ALA A 67 -3.288 -0.025 0.423 1.00 0.07 N ATOM 1044 CA ALA A 67 -3.519 0.744 -0.790 1.00 0.05 C ATOM 1045 C ALA A 67 -4.726 1.659 -0.625 1.00 0.04 C ATOM 1046 O ALA A 67 -4.643 2.853 -0.892 1.00 0.03 O ATOM 1047 CB ALA A 67 -3.714 -0.186 -1.977 1.00 0.06 C ATOM 0 H ALA A 67 -3.312 -1.036 0.291 1.00 0.07 H new ATOM 0 HA ALA A 67 -2.643 1.365 -0.976 1.00 0.05 H new ATOM 0 HB1 ALA A 67 -3.886 0.404 -2.877 1.00 0.06 H new ATOM 0 HB2 ALA A 67 -2.822 -0.799 -2.109 1.00 0.06 H new ATOM 0 HB3 ALA A 67 -4.574 -0.831 -1.796 1.00 0.06 H new ATOM 1053 N SER A 68 -5.835 1.095 -0.156 1.00 0.05 N ATOM 1054 CA SER A 68 -7.062 1.857 0.049 1.00 0.07 C ATOM 1055 C SER A 68 -6.857 2.963 1.085 1.00 0.08 C ATOM 1056 O SER A 68 -7.331 4.091 0.910 1.00 0.12 O ATOM 1057 CB SER A 68 -8.188 0.923 0.496 1.00 0.07 C ATOM 1058 OG SER A 68 -8.366 -0.135 -0.430 1.00 0.04 O ATOM 0 H SER A 68 -5.909 0.108 0.090 1.00 0.05 H new ATOM 0 HA SER A 68 -7.335 2.324 -0.897 1.00 0.07 H new ATOM 0 HB2 SER A 68 -7.958 0.515 1.480 1.00 0.07 H new ATOM 0 HB3 SER A 68 -9.116 1.486 0.593 1.00 0.07 H new ATOM 0 HG SER A 68 -7.708 -0.840 -0.252 1.00 0.04 H new ATOM 1064 N GLU A 69 -6.127 2.635 2.147 1.00 0.08 N ATOM 1065 CA GLU A 69 -5.855 3.580 3.222 1.00 0.14 C ATOM 1066 C GLU A 69 -5.088 4.806 2.727 1.00 0.10 C ATOM 1067 O GLU A 69 -5.412 5.938 3.086 1.00 0.10 O ATOM 1068 CB GLU A 69 -5.058 2.903 4.341 1.00 0.19 C ATOM 1069 CG GLU A 69 -5.897 2.027 5.259 1.00 0.29 C ATOM 1070 CD GLU A 69 -5.259 1.847 6.623 1.00 0.63 C ATOM 1071 OE1 GLU A 69 -5.102 2.856 7.342 1.00 0.79 O1- ATOM 1072 OE2 GLU A 69 -4.902 0.706 6.984 1.00 0.82 O ATOM 0 H GLU A 69 -5.711 1.714 2.285 1.00 0.08 H new ATOM 0 HA GLU A 69 -6.820 3.913 3.604 1.00 0.14 H new ATOM 0 HB2 GLU A 69 -4.271 2.294 3.895 1.00 0.19 H new ATOM 0 HB3 GLU A 69 -4.567 3.671 4.938 1.00 0.19 H new ATOM 0 HG2 GLU A 69 -6.885 2.471 5.378 1.00 0.29 H new ATOM 0 HG3 GLU A 69 -6.040 1.051 4.795 1.00 0.29 H new ATOM 1079 N TYR A 70 -4.083 4.579 1.889 1.00 0.07 N ATOM 1080 CA TYR A 70 -3.258 5.671 1.378 1.00 0.04 C ATOM 1081 C TYR A 70 -3.857 6.319 0.130 1.00 0.03 C ATOM 1082 O TYR A 70 -3.600 7.491 -0.153 1.00 0.04 O ATOM 1083 CB TYR A 70 -1.839 5.168 1.092 1.00 0.05 C ATOM 1084 CG TYR A 70 -0.994 4.988 2.340 1.00 0.18 C ATOM 1085 CD1 TYR A 70 -1.404 4.149 3.369 1.00 0.37 C ATOM 1086 CD2 TYR A 70 0.212 5.665 2.488 1.00 0.36 C ATOM 1087 CE1 TYR A 70 -0.638 3.988 4.508 1.00 0.46 C ATOM 1088 CE2 TYR A 70 0.982 5.507 3.624 1.00 0.47 C ATOM 1089 CZ TYR A 70 0.553 4.669 4.630 1.00 0.44 C ATOM 1090 OH TYR A 70 1.315 4.515 5.767 1.00 0.58 O ATOM 0 H TYR A 70 -3.819 3.654 1.549 1.00 0.07 H new ATOM 0 HA TYR A 70 -3.222 6.440 2.149 1.00 0.04 H new ATOM 0 HB2 TYR A 70 -1.900 4.216 0.564 1.00 0.05 H new ATOM 0 HB3 TYR A 70 -1.341 5.871 0.425 1.00 0.05 H new ATOM 0 HD1 TYR A 70 -2.337 3.613 3.277 1.00 0.37 H new ATOM 0 HD2 TYR A 70 0.552 6.324 1.703 1.00 0.36 H new ATOM 0 HE1 TYR A 70 -0.971 3.332 5.298 1.00 0.46 H new ATOM 0 HE2 TYR A 70 1.917 6.038 3.723 1.00 0.47 H new ATOM 0 HH TYR A 70 1.238 3.593 6.090 1.00 0.58 H new ATOM 1100 N LEU A 71 -4.668 5.572 -0.611 1.00 0.07 N ATOM 1101 CA LEU A 71 -5.291 6.098 -1.826 1.00 0.11 C ATOM 1102 C LEU A 71 -6.255 7.231 -1.510 1.00 0.12 C ATOM 1103 O LEU A 71 -6.342 8.207 -2.253 1.00 0.16 O ATOM 1104 CB LEU A 71 -6.029 5.000 -2.599 1.00 0.13 C ATOM 1105 CG LEU A 71 -5.267 4.430 -3.811 1.00 0.14 C ATOM 1106 CD1 LEU A 71 -5.882 3.120 -4.290 1.00 0.12 C ATOM 1107 CD2 LEU A 71 -5.234 5.432 -4.962 1.00 0.23 C ATOM 0 H LEU A 71 -4.910 4.605 -0.396 1.00 0.07 H new ATOM 0 HA LEU A 71 -4.485 6.485 -2.450 1.00 0.11 H new ATOM 0 HB2 LEU A 71 -6.254 4.183 -1.914 1.00 0.13 H new ATOM 0 HB3 LEU A 71 -6.983 5.398 -2.944 1.00 0.13 H new ATOM 0 HG LEU A 71 -4.246 4.235 -3.483 1.00 0.14 H new ATOM 0 HD11 LEU A 71 -5.320 2.746 -5.146 1.00 0.12 H new ATOM 0 HD12 LEU A 71 -5.848 2.386 -3.485 1.00 0.12 H new ATOM 0 HD13 LEU A 71 -6.918 3.290 -4.583 1.00 0.12 H new ATOM 0 HD21 LEU A 71 -4.690 5.002 -5.803 1.00 0.23 H new ATOM 0 HD22 LEU A 71 -6.253 5.666 -5.270 1.00 0.23 H new ATOM 0 HD23 LEU A 71 -4.735 6.345 -4.636 1.00 0.23 H new ATOM 1119 N LYS A 72 -6.969 7.106 -0.398 1.00 0.13 N ATOM 1120 CA LYS A 72 -7.926 8.130 0.004 1.00 0.16 C ATOM 1121 C LYS A 72 -7.211 9.345 0.589 1.00 0.16 C ATOM 1122 O LYS A 72 -7.827 10.378 0.858 1.00 0.30 O ATOM 1123 CB LYS A 72 -8.933 7.569 1.013 1.00 0.18 C ATOM 1124 CG LYS A 72 -8.331 7.204 2.367 1.00 0.18 C ATOM 1125 CD LYS A 72 -9.369 6.587 3.299 1.00 0.22 C ATOM 1126 CE LYS A 72 -8.726 6.005 4.548 1.00 0.25 C ATOM 1127 NZ LYS A 72 -8.298 7.059 5.502 1.00 0.24 N1+ ATOM 0 H LYS A 72 -6.905 6.311 0.238 1.00 0.13 H new ATOM 0 HA LYS A 72 -8.469 8.447 -0.886 1.00 0.16 H new ATOM 0 HB2 LYS A 72 -9.723 8.304 1.166 1.00 0.18 H new ATOM 0 HB3 LYS A 72 -9.401 6.682 0.586 1.00 0.18 H new ATOM 0 HG2 LYS A 72 -7.509 6.503 2.223 1.00 0.18 H new ATOM 0 HG3 LYS A 72 -7.911 8.096 2.831 1.00 0.18 H new ATOM 0 HD2 LYS A 72 -10.098 7.345 3.584 1.00 0.22 H new ATOM 0 HD3 LYS A 72 -9.913 5.804 2.771 1.00 0.22 H new ATOM 0 HE2 LYS A 72 -9.432 5.337 5.041 1.00 0.25 H new ATOM 0 HE3 LYS A 72 -7.863 5.403 4.263 1.00 0.25 H new ATOM 0 HZ1 LYS A 72 -7.866 6.616 6.338 1.00 0.24 H new ATOM 0 HZ2 LYS A 72 -7.604 7.682 5.042 1.00 0.24 H new ATOM 0 HZ3 LYS A 72 -9.124 7.618 5.795 1.00 0.24 H new ATOM 1141 N LEU A 73 -5.908 9.215 0.775 1.00 0.03 N ATOM 1142 CA LEU A 73 -5.096 10.289 1.325 1.00 0.05 C ATOM 1143 C LEU A 73 -4.456 11.110 0.211 1.00 0.05 C ATOM 1144 O LEU A 73 -4.395 12.336 0.285 1.00 0.10 O ATOM 1145 CB LEU A 73 -4.020 9.705 2.246 1.00 0.14 C ATOM 1146 CG LEU A 73 -2.881 10.654 2.630 1.00 0.17 C ATOM 1147 CD1 LEU A 73 -3.400 11.809 3.473 1.00 0.18 C ATOM 1148 CD2 LEU A 73 -1.799 9.892 3.380 1.00 0.24 C ATOM 0 H LEU A 73 -5.385 8.368 0.551 1.00 0.03 H new ATOM 0 HA LEU A 73 -5.739 10.952 1.904 1.00 0.05 H new ATOM 0 HB2 LEU A 73 -4.501 9.358 3.160 1.00 0.14 H new ATOM 0 HB3 LEU A 73 -3.589 8.830 1.760 1.00 0.14 H new ATOM 0 HG LEU A 73 -2.453 11.068 1.717 1.00 0.17 H new ATOM 0 HD11 LEU A 73 -2.573 12.470 3.734 1.00 0.18 H new ATOM 0 HD12 LEU A 73 -4.145 12.367 2.906 1.00 0.18 H new ATOM 0 HD13 LEU A 73 -3.854 11.419 4.384 1.00 0.18 H new ATOM 0 HD21 LEU A 73 -0.993 10.575 3.649 1.00 0.24 H new ATOM 0 HD22 LEU A 73 -2.222 9.456 4.285 1.00 0.24 H new ATOM 0 HD23 LEU A 73 -1.405 9.099 2.744 1.00 0.24 H new ATOM 1160 N LYS A 74 -3.998 10.436 -0.835 1.00 0.10 N ATOM 1161 CA LYS A 74 -3.360 11.123 -1.952 1.00 0.18 C ATOM 1162 C LYS A 74 -4.383 11.882 -2.797 1.00 0.21 C ATOM 1163 O LYS A 74 -4.025 12.774 -3.570 1.00 0.29 O ATOM 1164 CB LYS A 74 -2.572 10.135 -2.827 1.00 0.23 C ATOM 1165 CG LYS A 74 -3.433 9.098 -3.535 1.00 0.11 C ATOM 1166 CD LYS A 74 -3.236 9.138 -5.041 1.00 0.18 C ATOM 1167 CE LYS A 74 -1.880 8.576 -5.448 1.00 0.26 C ATOM 1168 NZ LYS A 74 -1.678 8.629 -6.918 1.00 0.15 N1+ ATOM 0 H LYS A 74 -4.055 9.422 -0.935 1.00 0.10 H new ATOM 0 HA LYS A 74 -2.662 11.848 -1.534 1.00 0.18 H new ATOM 0 HB2 LYS A 74 -2.013 10.697 -3.575 1.00 0.23 H new ATOM 0 HB3 LYS A 74 -1.842 9.619 -2.204 1.00 0.23 H new ATOM 0 HG2 LYS A 74 -3.186 8.104 -3.162 1.00 0.11 H new ATOM 0 HG3 LYS A 74 -4.483 9.275 -3.300 1.00 0.11 H new ATOM 0 HD2 LYS A 74 -4.027 8.567 -5.527 1.00 0.18 H new ATOM 0 HD3 LYS A 74 -3.324 10.166 -5.392 1.00 0.18 H new ATOM 0 HE2 LYS A 74 -1.090 9.140 -4.952 1.00 0.26 H new ATOM 0 HE3 LYS A 74 -1.797 7.544 -5.107 1.00 0.26 H new ATOM 0 HZ1 LYS A 74 -0.744 8.238 -7.154 1.00 0.15 H new ATOM 0 HZ2 LYS A 74 -2.417 8.070 -7.390 1.00 0.15 H new ATOM 0 HZ3 LYS A 74 -1.731 9.616 -7.240 1.00 0.15 H new ATOM 1182 N GLU A 75 -5.655 11.544 -2.644 1.00 0.18 N ATOM 1183 CA GLU A 75 -6.696 12.214 -3.405 1.00 0.27 C ATOM 1184 C GLU A 75 -7.135 13.509 -2.720 1.00 0.23 C ATOM 1185 O GLU A 75 -7.416 14.504 -3.394 1.00 0.32 O ATOM 1186 CB GLU A 75 -7.891 11.285 -3.635 1.00 0.36 C ATOM 1187 CG GLU A 75 -8.697 10.973 -2.387 1.00 0.51 C ATOM 1188 CD GLU A 75 -9.879 10.082 -2.683 1.00 0.97 C ATOM 1189 OE1 GLU A 75 -10.740 10.481 -3.501 1.00 1.47 O ATOM 1190 OE2 GLU A 75 -9.949 8.978 -2.116 1.00 1.57 O1- ATOM 0 H GLU A 75 -5.987 10.819 -2.008 1.00 0.18 H new ATOM 0 HA GLU A 75 -6.280 12.476 -4.378 1.00 0.27 H new ATOM 0 HB2 GLU A 75 -8.551 11.739 -4.374 1.00 0.36 H new ATOM 0 HB3 GLU A 75 -7.530 10.349 -4.062 1.00 0.36 H new ATOM 0 HG2 GLU A 75 -8.054 10.489 -1.652 1.00 0.51 H new ATOM 0 HG3 GLU A 75 -9.048 11.903 -1.940 1.00 0.51 H new ATOM 1197 N GLU A 76 -7.167 13.512 -1.387 1.00 0.13 N ATOM 1198 CA GLU A 76 -7.570 14.705 -0.651 1.00 0.10 C ATOM 1199 C GLU A 76 -6.511 15.794 -0.788 1.00 0.05 C ATOM 1200 O GLU A 76 -6.819 16.983 -0.722 1.00 0.03 O ATOM 1201 CB GLU A 76 -7.849 14.390 0.824 1.00 0.10 C ATOM 1202 CG GLU A 76 -6.636 13.944 1.620 1.00 0.19 C ATOM 1203 CD GLU A 76 -6.967 13.698 3.076 1.00 0.51 C ATOM 1204 OE1 GLU A 76 -8.066 13.172 3.361 1.00 1.56 O ATOM 1205 OE2 GLU A 76 -6.139 14.038 3.948 1.00 0.59 O1- ATOM 0 H GLU A 76 -6.922 12.712 -0.804 1.00 0.13 H new ATOM 0 HA GLU A 76 -8.501 15.070 -1.084 1.00 0.10 H new ATOM 0 HB2 GLU A 76 -8.270 15.277 1.297 1.00 0.10 H new ATOM 0 HB3 GLU A 76 -8.608 13.609 0.877 1.00 0.10 H new ATOM 0 HG2 GLU A 76 -6.231 13.032 1.182 1.00 0.19 H new ATOM 0 HG3 GLU A 76 -5.858 14.704 1.549 1.00 0.19 H new ATOM 1212 N TYR A 77 -5.265 15.378 -1.004 1.00 0.06 N ATOM 1213 CA TYR A 77 -4.167 16.320 -1.186 1.00 0.05 C ATOM 1214 C TYR A 77 -4.437 17.188 -2.409 1.00 0.07 C ATOM 1215 O TYR A 77 -4.213 18.400 -2.397 1.00 0.11 O ATOM 1216 CB TYR A 77 -2.841 15.564 -1.355 1.00 0.09 C ATOM 1217 CG TYR A 77 -1.690 16.414 -1.873 1.00 0.12 C ATOM 1218 CD1 TYR A 77 -1.411 17.660 -1.325 1.00 0.12 C ATOM 1219 CD2 TYR A 77 -0.887 15.967 -2.919 1.00 0.14 C ATOM 1220 CE1 TYR A 77 -0.370 18.435 -1.798 1.00 0.16 C ATOM 1221 CE2 TYR A 77 0.156 16.740 -3.399 1.00 0.17 C ATOM 1222 CZ TYR A 77 0.409 17.973 -2.836 1.00 0.18 C ATOM 1223 OH TYR A 77 1.440 18.747 -3.317 1.00 0.21 O ATOM 0 H TYR A 77 -4.992 14.397 -1.057 1.00 0.06 H new ATOM 0 HA TYR A 77 -4.092 16.956 -0.304 1.00 0.05 H new ATOM 0 HB2 TYR A 77 -2.556 15.137 -0.394 1.00 0.09 H new ATOM 0 HB3 TYR A 77 -2.997 14.731 -2.040 1.00 0.09 H new ATOM 0 HD1 TYR A 77 -2.020 18.030 -0.513 1.00 0.12 H new ATOM 0 HD2 TYR A 77 -1.081 15.002 -3.363 1.00 0.14 H new ATOM 0 HE1 TYR A 77 -0.168 19.399 -1.356 1.00 0.16 H new ATOM 0 HE2 TYR A 77 0.769 16.379 -4.211 1.00 0.17 H new ATOM 0 HH TYR A 77 1.890 18.274 -4.048 1.00 0.21 H new ATOM 1233 N GLN A 78 -4.951 16.560 -3.452 1.00 0.10 N ATOM 1234 CA GLN A 78 -5.254 17.257 -4.689 1.00 0.13 C ATOM 1235 C GLN A 78 -6.472 18.166 -4.519 1.00 0.06 C ATOM 1236 O GLN A 78 -6.574 19.197 -5.176 1.00 0.08 O ATOM 1237 CB GLN A 78 -5.496 16.250 -5.816 1.00 0.19 C ATOM 1238 CG GLN A 78 -4.234 15.517 -6.257 1.00 0.23 C ATOM 1239 CD GLN A 78 -4.529 14.271 -7.072 1.00 0.31 C ATOM 1240 OE1 GLN A 78 -4.648 14.324 -8.297 1.00 0.51 O ATOM 1241 NE2 GLN A 78 -4.628 13.132 -6.402 1.00 0.26 N ATOM 0 H GLN A 78 -5.168 15.563 -3.466 1.00 0.10 H new ATOM 0 HA GLN A 78 -4.399 17.880 -4.949 1.00 0.13 H new ATOM 0 HB2 GLN A 78 -6.235 15.519 -5.487 1.00 0.19 H new ATOM 0 HB3 GLN A 78 -5.922 16.771 -6.673 1.00 0.19 H new ATOM 0 HG2 GLN A 78 -3.615 16.193 -6.847 1.00 0.23 H new ATOM 0 HG3 GLN A 78 -3.654 15.240 -5.376 1.00 0.23 H new ATOM 0 HE21 GLN A 78 -4.524 13.126 -5.387 1.00 0.26 H new ATOM 0 HE22 GLN A 78 -4.808 12.261 -6.901 1.00 0.26 H new ATOM 1250 N ARG A 79 -7.371 17.789 -3.612 1.00 0.04 N ATOM 1251 CA ARG A 79 -8.592 18.554 -3.356 1.00 0.11 C ATOM 1252 C ARG A 79 -8.289 19.970 -2.875 1.00 0.17 C ATOM 1253 O ARG A 79 -8.781 20.945 -3.444 1.00 0.29 O ATOM 1254 CB ARG A 79 -9.465 17.839 -2.320 1.00 0.18 C ATOM 1255 CG ARG A 79 -10.206 16.633 -2.868 1.00 0.46 C ATOM 1256 CD ARG A 79 -11.231 17.044 -3.911 1.00 0.78 C ATOM 1257 NE ARG A 79 -12.031 15.910 -4.361 1.00 1.20 N ATOM 1258 CZ ARG A 79 -12.376 15.698 -5.626 1.00 0.98 C ATOM 1259 NH1 ARG A 79 -11.970 16.529 -6.586 1.00 0.63 N1+ ATOM 1260 NH2 ARG A 79 -13.120 14.645 -5.935 1.00 1.78 N ATOM 0 H ARG A 79 -7.276 16.952 -3.037 1.00 0.04 H new ATOM 0 HA ARG A 79 -9.128 18.625 -4.302 1.00 0.11 H new ATOM 0 HB2 ARG A 79 -8.837 17.520 -1.488 1.00 0.18 H new ATOM 0 HB3 ARG A 79 -10.190 18.547 -1.919 1.00 0.18 H new ATOM 0 HG2 ARG A 79 -9.494 15.935 -3.309 1.00 0.46 H new ATOM 0 HG3 ARG A 79 -10.704 16.108 -2.053 1.00 0.46 H new ATOM 0 HD2 ARG A 79 -11.887 17.809 -3.495 1.00 0.78 H new ATOM 0 HD3 ARG A 79 -10.722 17.491 -4.765 1.00 0.78 H new ATOM 0 HE ARG A 79 -12.345 15.238 -3.661 1.00 1.20 H new ATOM 0 HH11 ARG A 79 -11.390 17.335 -6.352 1.00 0.63 H new ATOM 0 HH12 ARG A 79 -12.239 16.359 -7.555 1.00 0.63 H new ATOM 0 HH21 ARG A 79 -13.424 14.003 -5.203 1.00 1.78 H new ATOM 0 HH22 ARG A 79 -13.388 14.477 -6.905 1.00 1.78 H new ATOM 1274 N LEU A 80 -7.478 20.080 -1.833 1.00 0.11 N ATOM 1275 CA LEU A 80 -7.130 21.387 -1.286 1.00 0.17 C ATOM 1276 C LEU A 80 -6.212 22.151 -2.233 1.00 0.18 C ATOM 1277 O LEU A 80 -6.171 23.381 -2.216 1.00 0.22 O ATOM 1278 CB LEU A 80 -6.467 21.240 0.087 1.00 0.19 C ATOM 1279 CG LEU A 80 -5.071 20.597 0.080 1.00 0.22 C ATOM 1280 CD1 LEU A 80 -3.999 21.610 0.459 1.00 0.25 C ATOM 1281 CD2 LEU A 80 -5.021 19.398 1.014 1.00 0.23 C ATOM 0 H LEU A 80 -7.051 19.289 -1.351 1.00 0.11 H new ATOM 0 HA LEU A 80 -8.053 21.955 -1.170 1.00 0.17 H new ATOM 0 HB2 LEU A 80 -6.391 22.227 0.543 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -7.120 20.644 0.725 1.00 0.19 H new ATOM 0 HG LEU A 80 -4.871 20.252 -0.934 1.00 0.22 H new ATOM 0 HD11 LEU A 80 -3.022 21.128 0.446 1.00 0.25 H new ATOM 0 HD12 LEU A 80 -4.007 22.433 -0.256 1.00 0.25 H new ATOM 0 HD13 LEU A 80 -4.200 21.996 1.459 1.00 0.25 H new ATOM 0 HD21 LEU A 80 -4.023 18.960 0.991 1.00 0.23 H new ATOM 0 HD22 LEU A 80 -5.254 19.718 2.030 1.00 0.23 H new ATOM 0 HD23 LEU A 80 -5.750 18.655 0.691 1.00 0.23 H new ATOM 1293 N ARG A 81 -5.485 21.420 -3.065 1.00 0.17 N ATOM 1294 CA ARG A 81 -4.573 22.040 -4.009 1.00 0.21 C ATOM 1295 C ARG A 81 -5.336 22.632 -5.195 1.00 0.22 C ATOM 1296 O ARG A 81 -5.041 23.742 -5.634 1.00 0.31 O ATOM 1297 CB ARG A 81 -3.520 21.035 -4.488 1.00 0.21 C ATOM 1298 CG ARG A 81 -2.368 20.853 -3.508 1.00 0.25 C ATOM 1299 CD ARG A 81 -1.060 21.406 -4.066 1.00 0.43 C ATOM 1300 NE ARG A 81 -1.194 22.780 -4.558 1.00 0.50 N ATOM 1301 CZ ARG A 81 -0.466 23.812 -4.123 1.00 0.50 C ATOM 1302 NH1 ARG A 81 0.454 23.636 -3.179 1.00 0.71 N1+ ATOM 1303 NH2 ARG A 81 -0.640 25.015 -4.655 1.00 0.54 N ATOM 0 H ARG A 81 -5.510 20.401 -3.104 1.00 0.17 H new ATOM 0 HA ARG A 81 -4.059 22.853 -3.497 1.00 0.21 H new ATOM 0 HB2 ARG A 81 -3.999 20.071 -4.657 1.00 0.21 H new ATOM 0 HB3 ARG A 81 -3.122 21.366 -5.447 1.00 0.21 H new ATOM 0 HG2 ARG A 81 -2.605 21.356 -2.570 1.00 0.25 H new ATOM 0 HG3 ARG A 81 -2.248 19.794 -3.280 1.00 0.25 H new ATOM 0 HD2 ARG A 81 -0.296 21.375 -3.289 1.00 0.43 H new ATOM 0 HD3 ARG A 81 -0.716 20.765 -4.878 1.00 0.43 H new ATOM 0 HE ARG A 81 -1.890 22.960 -5.281 1.00 0.50 H new ATOM 0 HH11 ARG A 81 0.607 22.709 -2.783 1.00 0.71 H new ATOM 0 HH12 ARG A 81 1.007 24.428 -2.851 1.00 0.71 H new ATOM 0 HH21 ARG A 81 -1.329 25.151 -5.395 1.00 0.54 H new ATOM 0 HH22 ARG A 81 -0.085 25.804 -4.324 1.00 0.54 H new ATOM 1551 N THR B 10 -18.359 0.633 5.891 1.00 0.33 N ATOM 1552 CA THR B 10 -18.856 -0.563 5.237 1.00 0.31 C ATOM 1553 C THR B 10 -17.704 -1.409 4.710 1.00 0.23 C ATOM 1554 O THR B 10 -16.549 -0.979 4.710 1.00 0.23 O ATOM 1555 CB THR B 10 -19.825 -0.213 4.081 1.00 0.36 C ATOM 1556 OG1 THR B 10 -20.528 -1.386 3.648 1.00 0.42 O ATOM 1557 CG2 THR B 10 -19.085 0.402 2.898 1.00 0.28 C ATOM 0 HA THR B 10 -19.405 -1.138 5.982 1.00 0.31 H new ATOM 0 HB THR B 10 -20.536 0.521 4.460 1.00 0.36 H new ATOM 0 HG1 THR B 10 -21.138 -1.151 2.918 1.00 0.42 H new ATOM 0 HG21 THR B 10 -19.796 0.635 2.105 1.00 0.28 H new ATOM 0 HG22 THR B 10 -18.585 1.316 3.217 1.00 0.28 H new ATOM 0 HG23 THR B 10 -18.344 -0.305 2.525 1.00 0.28 H new ATOM 1565 N ARG B 11 -18.025 -2.610 4.263 1.00 0.25 N ATOM 1566 CA ARG B 11 -17.028 -3.516 3.731 1.00 0.21 C ATOM 1567 C ARG B 11 -17.354 -3.850 2.283 1.00 0.27 C ATOM 1568 O ARG B 11 -18.518 -3.812 1.875 1.00 0.53 O ATOM 1569 CB ARG B 11 -16.948 -4.788 4.580 1.00 0.24 C ATOM 1570 CG ARG B 11 -18.171 -5.685 4.473 1.00 0.31 C ATOM 1571 CD ARG B 11 -18.150 -6.761 5.541 1.00 0.68 C ATOM 1572 NE ARG B 11 -19.013 -7.893 5.211 1.00 1.23 N ATOM 1573 CZ ARG B 11 -19.347 -8.842 6.086 1.00 1.21 C ATOM 1574 NH1 ARG B 11 -18.913 -8.769 7.341 1.00 1.36 N1+ ATOM 1575 NH2 ARG B 11 -20.100 -9.865 5.711 1.00 1.72 N ATOM 0 H ARG B 11 -18.975 -2.980 4.259 1.00 0.25 H new ATOM 0 HA ARG B 11 -16.053 -3.029 3.765 1.00 0.21 H new ATOM 0 HB2 ARG B 11 -16.067 -5.356 4.281 1.00 0.24 H new ATOM 0 HB3 ARG B 11 -16.807 -4.507 5.624 1.00 0.24 H new ATOM 0 HG2 ARG B 11 -19.076 -5.086 4.573 1.00 0.31 H new ATOM 0 HG3 ARG B 11 -18.202 -6.147 3.486 1.00 0.31 H new ATOM 0 HD2 ARG B 11 -17.128 -7.115 5.676 1.00 0.68 H new ATOM 0 HD3 ARG B 11 -18.467 -6.331 6.491 1.00 0.68 H new ATOM 0 HE ARG B 11 -19.379 -7.961 4.261 1.00 1.23 H new ATOM 0 HH11 ARG B 11 -18.326 -7.988 7.633 1.00 1.36 H new ATOM 0 HH12 ARG B 11 -19.168 -9.494 8.012 1.00 1.36 H new ATOM 0 HH21 ARG B 11 -20.428 -9.930 4.747 1.00 1.72 H new ATOM 0 HH22 ARG B 11 -20.352 -10.587 6.386 1.00 1.72 H new ATOM 1589 N VAL B 12 -16.332 -4.153 1.506 1.00 0.16 N ATOM 1590 CA VAL B 12 -16.513 -4.485 0.102 1.00 0.15 C ATOM 1591 C VAL B 12 -15.737 -5.748 -0.261 1.00 0.12 C ATOM 1592 O VAL B 12 -14.678 -6.015 0.303 1.00 0.17 O ATOM 1593 CB VAL B 12 -16.063 -3.314 -0.803 1.00 0.19 C ATOM 1594 CG1 VAL B 12 -14.558 -3.104 -0.723 1.00 0.13 C ATOM 1595 CG2 VAL B 12 -16.500 -3.532 -2.246 1.00 0.25 C ATOM 0 H VAL B 12 -15.363 -4.177 1.823 1.00 0.16 H new ATOM 0 HA VAL B 12 -17.575 -4.666 -0.062 1.00 0.15 H new ATOM 0 HB VAL B 12 -16.550 -2.411 -0.436 1.00 0.19 H new ATOM 0 HG11 VAL B 12 -14.271 -2.275 -1.370 1.00 0.13 H new ATOM 0 HG12 VAL B 12 -14.277 -2.877 0.305 1.00 0.13 H new ATOM 0 HG13 VAL B 12 -14.046 -4.010 -1.047 1.00 0.13 H new ATOM 0 HG21 VAL B 12 -16.169 -2.692 -2.857 1.00 0.25 H new ATOM 0 HG22 VAL B 12 -16.058 -4.453 -2.625 1.00 0.25 H new ATOM 0 HG23 VAL B 12 -17.587 -3.607 -2.290 1.00 0.25 H new ATOM 1605 N SER B 13 -16.281 -6.534 -1.176 1.00 0.09 N ATOM 1606 CA SER B 13 -15.628 -7.756 -1.618 1.00 0.12 C ATOM 1607 C SER B 13 -15.185 -7.619 -3.071 1.00 0.18 C ATOM 1608 O SER B 13 -16.017 -7.514 -3.971 1.00 0.48 O ATOM 1609 CB SER B 13 -16.578 -8.942 -1.460 1.00 0.12 C ATOM 1610 OG SER B 13 -17.905 -8.500 -1.223 1.00 0.38 O ATOM 0 H SER B 13 -17.176 -6.347 -1.628 1.00 0.09 H new ATOM 0 HA SER B 13 -14.746 -7.930 -1.002 1.00 0.12 H new ATOM 0 HB2 SER B 13 -16.551 -9.557 -2.359 1.00 0.12 H new ATOM 0 HB3 SER B 13 -16.247 -9.571 -0.633 1.00 0.12 H new ATOM 0 HG SER B 13 -18.496 -9.276 -1.127 1.00 0.38 H new ATOM 1616 N VAL B 14 -13.879 -7.610 -3.298 1.00 0.14 N ATOM 1617 CA VAL B 14 -13.343 -7.473 -4.648 1.00 0.13 C ATOM 1618 C VAL B 14 -12.434 -8.645 -4.989 1.00 0.09 C ATOM 1619 O VAL B 14 -11.829 -9.251 -4.103 1.00 0.19 O ATOM 1620 CB VAL B 14 -12.557 -6.155 -4.840 1.00 0.15 C ATOM 1621 CG1 VAL B 14 -13.477 -4.953 -4.704 1.00 0.27 C ATOM 1622 CG2 VAL B 14 -11.395 -6.059 -3.858 1.00 0.17 C ATOM 0 H VAL B 14 -13.172 -7.696 -2.568 1.00 0.14 H new ATOM 0 HA VAL B 14 -14.202 -7.459 -5.319 1.00 0.13 H new ATOM 0 HB VAL B 14 -12.144 -6.157 -5.849 1.00 0.15 H new ATOM 0 HG11 VAL B 14 -12.902 -4.037 -4.843 1.00 0.27 H new ATOM 0 HG12 VAL B 14 -14.261 -5.007 -5.459 1.00 0.27 H new ATOM 0 HG13 VAL B 14 -13.929 -4.951 -3.712 1.00 0.27 H new ATOM 0 HG21 VAL B 14 -10.861 -5.122 -4.017 1.00 0.17 H new ATOM 0 HG22 VAL B 14 -11.777 -6.090 -2.838 1.00 0.17 H new ATOM 0 HG23 VAL B 14 -10.715 -6.896 -4.016 1.00 0.17 H new ATOM 1632 N ARG B 15 -12.344 -8.955 -6.276 1.00 0.17 N ATOM 1633 CA ARG B 15 -11.522 -10.059 -6.747 1.00 0.12 C ATOM 1634 C ARG B 15 -10.143 -9.570 -7.175 1.00 0.08 C ATOM 1635 O ARG B 15 -10.023 -8.669 -8.006 1.00 0.12 O ATOM 1636 CB ARG B 15 -12.223 -10.766 -7.910 1.00 0.19 C ATOM 1637 CG ARG B 15 -11.387 -11.849 -8.574 1.00 0.32 C ATOM 1638 CD ARG B 15 -12.170 -12.549 -9.671 1.00 0.37 C ATOM 1639 NE ARG B 15 -12.786 -11.599 -10.593 1.00 0.23 N ATOM 1640 CZ ARG B 15 -14.002 -11.747 -11.115 1.00 0.17 C ATOM 1641 NH1 ARG B 15 -14.739 -12.810 -10.809 1.00 0.20 N1+ ATOM 1642 NH2 ARG B 15 -14.478 -10.826 -11.939 1.00 0.33 N ATOM 0 H ARG B 15 -12.834 -8.453 -7.016 1.00 0.17 H new ATOM 0 HA ARG B 15 -11.387 -10.765 -5.928 1.00 0.12 H new ATOM 0 HB2 ARG B 15 -13.150 -11.210 -7.546 1.00 0.19 H new ATOM 0 HB3 ARG B 15 -12.498 -10.024 -8.659 1.00 0.19 H new ATOM 0 HG2 ARG B 15 -10.482 -11.409 -8.993 1.00 0.32 H new ATOM 0 HG3 ARG B 15 -11.071 -12.577 -7.827 1.00 0.32 H new ATOM 0 HD2 ARG B 15 -11.505 -13.213 -10.224 1.00 0.37 H new ATOM 0 HD3 ARG B 15 -12.943 -13.173 -9.223 1.00 0.37 H new ATOM 0 HE ARG B 15 -12.251 -10.770 -10.853 1.00 0.23 H new ATOM 0 HH11 ARG B 15 -14.374 -13.517 -10.171 1.00 0.20 H new ATOM 0 HH12 ARG B 15 -15.670 -12.918 -11.212 1.00 0.20 H new ATOM 0 HH21 ARG B 15 -13.914 -10.008 -12.171 1.00 0.33 H new ATOM 0 HH22 ARG B 15 -15.409 -10.934 -12.342 1.00 0.33 H new ATOM 1656 N ILE B 16 -9.105 -10.156 -6.595 1.00 0.03 N ATOM 1657 CA ILE B 16 -7.738 -9.790 -6.925 1.00 0.08 C ATOM 1658 C ILE B 16 -6.918 -11.041 -7.218 1.00 0.13 C ATOM 1659 O ILE B 16 -6.765 -11.910 -6.357 1.00 0.15 O ATOM 1660 CB ILE B 16 -7.058 -8.996 -5.788 1.00 0.10 C ATOM 1661 CG1 ILE B 16 -7.905 -7.782 -5.393 1.00 0.11 C ATOM 1662 CG2 ILE B 16 -5.662 -8.559 -6.216 1.00 0.15 C ATOM 1663 CD1 ILE B 16 -7.532 -7.194 -4.048 1.00 0.15 C ATOM 0 H ILE B 16 -9.186 -10.890 -5.891 1.00 0.03 H new ATOM 0 HA ILE B 16 -7.781 -9.151 -7.807 1.00 0.08 H new ATOM 0 HB ILE B 16 -6.969 -9.645 -4.917 1.00 0.10 H new ATOM 0 HG12 ILE B 16 -7.801 -7.013 -6.158 1.00 0.11 H new ATOM 0 HG13 ILE B 16 -8.955 -8.073 -5.374 1.00 0.11 H new ATOM 0 HG21 ILE B 16 -5.192 -8.000 -5.407 1.00 0.15 H new ATOM 0 HG22 ILE B 16 -5.060 -9.438 -6.447 1.00 0.15 H new ATOM 0 HG23 ILE B 16 -5.734 -7.926 -7.100 1.00 0.15 H new ATOM 0 HD11 ILE B 16 -8.173 -6.339 -3.835 1.00 0.15 H new ATOM 0 HD12 ILE B 16 -7.663 -7.948 -3.272 1.00 0.15 H new ATOM 0 HD13 ILE B 16 -6.491 -6.871 -4.068 1.00 0.15 H new ATOM 1675 N TYR B 17 -6.434 -11.131 -8.450 1.00 0.18 N ATOM 1676 CA TYR B 17 -5.615 -12.252 -8.909 1.00 0.25 C ATOM 1677 C TYR B 17 -6.390 -13.573 -8.903 1.00 0.24 C ATOM 1678 O TYR B 17 -5.800 -14.649 -8.798 1.00 0.27 O ATOM 1679 CB TYR B 17 -4.334 -12.369 -8.073 1.00 0.29 C ATOM 1680 CG TYR B 17 -3.113 -12.732 -8.888 1.00 0.23 C ATOM 1681 CD1 TYR B 17 -2.680 -11.914 -9.926 1.00 0.22 C ATOM 1682 CD2 TYR B 17 -2.392 -13.889 -8.620 1.00 0.27 C ATOM 1683 CE1 TYR B 17 -1.568 -12.242 -10.674 1.00 0.20 C ATOM 1684 CE2 TYR B 17 -1.277 -14.220 -9.364 1.00 0.31 C ATOM 1685 CZ TYR B 17 -0.872 -13.395 -10.388 1.00 0.26 C ATOM 1686 OH TYR B 17 0.233 -13.731 -11.133 1.00 0.34 O ATOM 0 H TYR B 17 -6.598 -10.424 -9.167 1.00 0.18 H new ATOM 0 HA TYR B 17 -5.338 -12.046 -9.943 1.00 0.25 H new ATOM 0 HB2 TYR B 17 -4.153 -11.422 -7.565 1.00 0.29 H new ATOM 0 HB3 TYR B 17 -4.482 -13.123 -7.299 1.00 0.29 H new ATOM 0 HD1 TYR B 17 -3.223 -11.008 -10.150 1.00 0.22 H new ATOM 0 HD2 TYR B 17 -2.708 -14.539 -7.818 1.00 0.27 H new ATOM 0 HE1 TYR B 17 -1.245 -11.598 -11.479 1.00 0.20 H new ATOM 0 HE2 TYR B 17 -0.725 -15.122 -9.143 1.00 0.31 H new ATOM 0 HH TYR B 17 1.032 -13.327 -10.734 1.00 0.34 H new ATOM 1696 N GLY B 18 -7.711 -13.492 -9.015 1.00 0.21 N ATOM 1697 CA GLY B 18 -8.520 -14.698 -9.053 1.00 0.22 C ATOM 1698 C GLY B 18 -9.481 -14.833 -7.889 1.00 0.22 C ATOM 1699 O GLY B 18 -10.676 -15.035 -8.091 1.00 0.24 O ATOM 0 H GLY B 18 -8.235 -12.619 -9.080 1.00 0.21 H new ATOM 0 HA2 GLY B 18 -9.088 -14.713 -9.983 1.00 0.22 H new ATOM 0 HA3 GLY B 18 -7.860 -15.565 -9.068 1.00 0.22 H new ATOM 1703 N GLN B 19 -8.970 -14.717 -6.673 1.00 0.20 N ATOM 1704 CA GLN B 19 -9.804 -14.856 -5.483 1.00 0.21 C ATOM 1705 C GLN B 19 -10.332 -13.505 -5.015 1.00 0.18 C ATOM 1706 O GLN B 19 -9.674 -12.477 -5.181 1.00 0.13 O ATOM 1707 CB GLN B 19 -9.018 -15.522 -4.346 1.00 0.22 C ATOM 1708 CG GLN B 19 -8.411 -16.870 -4.713 1.00 0.56 C ATOM 1709 CD GLN B 19 -7.093 -16.754 -5.459 1.00 0.86 C ATOM 1710 OE1 GLN B 19 -6.797 -17.562 -6.336 1.00 0.81 O ATOM 1711 NE2 GLN B 19 -6.286 -15.754 -5.119 1.00 1.36 N ATOM 0 H GLN B 19 -7.986 -14.528 -6.482 1.00 0.20 H new ATOM 0 HA GLN B 19 -10.652 -15.486 -5.751 1.00 0.21 H new ATOM 0 HB2 GLN B 19 -8.220 -14.851 -4.029 1.00 0.22 H new ATOM 0 HB3 GLN B 19 -9.680 -15.655 -3.491 1.00 0.22 H new ATOM 0 HG2 GLN B 19 -8.255 -17.450 -3.803 1.00 0.56 H new ATOM 0 HG3 GLN B 19 -9.120 -17.425 -5.327 1.00 0.56 H new ATOM 0 HE21 GLN B 19 -6.564 -15.101 -4.386 1.00 1.36 H new ATOM 0 HE22 GLN B 19 -5.389 -15.639 -5.591 1.00 1.36 H new ATOM 1720 N ASP B 20 -11.530 -13.510 -4.441 1.00 0.24 N ATOM 1721 CA ASP B 20 -12.135 -12.281 -3.937 1.00 0.24 C ATOM 1722 C ASP B 20 -12.124 -12.271 -2.417 1.00 0.23 C ATOM 1723 O ASP B 20 -12.338 -13.301 -1.773 1.00 0.23 O ATOM 1724 CB ASP B 20 -13.561 -12.079 -4.474 1.00 0.31 C ATOM 1725 CG ASP B 20 -14.565 -13.074 -3.931 1.00 0.41 C ATOM 1726 OD1 ASP B 20 -14.695 -14.169 -4.522 1.00 1.64 O ATOM 1727 OD2 ASP B 20 -15.244 -12.762 -2.931 1.00 0.39 O1- ATOM 0 H ASP B 20 -12.100 -14.346 -4.313 1.00 0.24 H new ATOM 0 HA ASP B 20 -11.535 -11.446 -4.299 1.00 0.24 H new ATOM 0 HB2 ASP B 20 -13.893 -11.071 -4.227 1.00 0.31 H new ATOM 0 HB3 ASP B 20 -13.543 -12.151 -5.561 1.00 0.31 H new ATOM 1732 N TYR B 21 -11.845 -11.105 -1.852 1.00 0.23 N ATOM 1733 CA TYR B 21 -11.774 -10.949 -0.405 1.00 0.22 C ATOM 1734 C TYR B 21 -12.576 -9.733 0.036 1.00 0.24 C ATOM 1735 O TYR B 21 -12.874 -8.851 -0.773 1.00 0.36 O ATOM 1736 CB TYR B 21 -10.317 -10.802 0.049 1.00 0.19 C ATOM 1737 CG TYR B 21 -9.328 -11.560 -0.813 1.00 0.17 C ATOM 1738 CD1 TYR B 21 -9.137 -12.926 -0.654 1.00 0.17 C ATOM 1739 CD2 TYR B 21 -8.596 -10.906 -1.795 1.00 0.16 C ATOM 1740 CE1 TYR B 21 -8.243 -13.616 -1.448 1.00 0.16 C ATOM 1741 CE2 TYR B 21 -7.703 -11.592 -2.593 1.00 0.15 C ATOM 1742 CZ TYR B 21 -7.530 -12.945 -2.417 1.00 0.15 C ATOM 1743 OH TYR B 21 -6.640 -13.630 -3.215 1.00 0.14 O ATOM 0 H TYR B 21 -11.663 -10.249 -2.376 1.00 0.23 H new ATOM 0 HA TYR B 21 -12.198 -11.841 0.056 1.00 0.22 H new ATOM 0 HB2 TYR B 21 -10.051 -9.745 0.047 1.00 0.19 H new ATOM 0 HB3 TYR B 21 -10.230 -11.151 1.078 1.00 0.19 H new ATOM 0 HD1 TYR B 21 -9.696 -13.457 0.102 1.00 0.17 H new ATOM 0 HD2 TYR B 21 -8.728 -9.843 -1.937 1.00 0.16 H new ATOM 0 HE1 TYR B 21 -8.103 -14.678 -1.310 1.00 0.16 H new ATOM 0 HE2 TYR B 21 -7.142 -11.068 -3.353 1.00 0.15 H new ATOM 0 HH TYR B 21 -6.222 -13.008 -3.847 1.00 0.14 H new ATOM 1753 N THR B 22 -12.927 -9.694 1.312 1.00 0.18 N ATOM 1754 CA THR B 22 -13.695 -8.591 1.862 1.00 0.18 C ATOM 1755 C THR B 22 -12.800 -7.644 2.658 1.00 0.16 C ATOM 1756 O THR B 22 -12.111 -8.060 3.590 1.00 0.21 O ATOM 1757 CB THR B 22 -14.825 -9.110 2.772 1.00 0.20 C ATOM 1758 OG1 THR B 22 -14.931 -10.539 2.661 1.00 0.54 O ATOM 1759 CG2 THR B 22 -16.155 -8.470 2.399 1.00 0.26 C ATOM 0 H THR B 22 -12.690 -10.419 1.989 1.00 0.18 H new ATOM 0 HA THR B 22 -14.131 -8.047 1.024 1.00 0.18 H new ATOM 0 HB THR B 22 -14.584 -8.843 3.801 1.00 0.20 H new ATOM 0 HG1 THR B 22 -15.650 -10.860 3.244 1.00 0.54 H new ATOM 0 HG21 THR B 22 -16.938 -8.851 3.054 1.00 0.26 H new ATOM 0 HG22 THR B 22 -16.082 -7.388 2.511 1.00 0.26 H new ATOM 0 HG23 THR B 22 -16.398 -8.712 1.364 1.00 0.26 H new ATOM 1767 N ILE B 23 -12.812 -6.374 2.281 1.00 0.11 N ATOM 1768 CA ILE B 23 -12.016 -5.365 2.963 1.00 0.11 C ATOM 1769 C ILE B 23 -12.899 -4.206 3.393 1.00 0.14 C ATOM 1770 O ILE B 23 -14.081 -4.163 3.056 1.00 0.32 O ATOM 1771 CB ILE B 23 -10.848 -4.822 2.104 1.00 0.07 C ATOM 1772 CG1 ILE B 23 -11.348 -4.265 0.753 1.00 0.07 C ATOM 1773 CG2 ILE B 23 -9.779 -5.891 1.924 1.00 0.03 C ATOM 1774 CD1 ILE B 23 -11.424 -5.266 -0.389 1.00 0.08 C ATOM 0 H ILE B 23 -13.367 -6.017 1.503 1.00 0.11 H new ATOM 0 HA ILE B 23 -11.578 -5.857 3.831 1.00 0.11 H new ATOM 0 HB ILE B 23 -10.393 -3.985 2.634 1.00 0.07 H new ATOM 0 HG12 ILE B 23 -12.339 -3.837 0.903 1.00 0.07 H new ATOM 0 HG13 ILE B 23 -10.691 -3.449 0.453 1.00 0.07 H new ATOM 0 HG21 ILE B 23 -8.965 -5.493 1.318 1.00 0.03 H new ATOM 0 HG22 ILE B 23 -9.393 -6.188 2.899 1.00 0.03 H new ATOM 0 HG23 ILE B 23 -10.212 -6.758 1.426 1.00 0.03 H new ATOM 0 HD11 ILE B 23 -11.787 -4.766 -1.287 1.00 0.08 H new ATOM 0 HD12 ILE B 23 -10.433 -5.678 -0.578 1.00 0.08 H new ATOM 0 HD13 ILE B 23 -12.107 -6.072 -0.121 1.00 0.08 H new ATOM 1786 N VAL B 24 -12.325 -3.264 4.126 1.00 0.16 N ATOM 1787 CA VAL B 24 -13.071 -2.114 4.610 1.00 0.17 C ATOM 1788 C VAL B 24 -13.102 -0.994 3.568 1.00 0.22 C ATOM 1789 O VAL B 24 -12.063 -0.551 3.084 1.00 0.28 O ATOM 1790 CB VAL B 24 -12.466 -1.579 5.932 1.00 0.19 C ATOM 1791 CG1 VAL B 24 -13.094 -0.246 6.324 1.00 0.20 C ATOM 1792 CG2 VAL B 24 -12.643 -2.600 7.047 1.00 0.18 C ATOM 0 H VAL B 24 -11.342 -3.274 4.399 1.00 0.16 H new ATOM 0 HA VAL B 24 -14.093 -2.445 4.796 1.00 0.17 H new ATOM 0 HB VAL B 24 -11.400 -1.414 5.774 1.00 0.19 H new ATOM 0 HG11 VAL B 24 -12.650 0.105 7.255 1.00 0.20 H new ATOM 0 HG12 VAL B 24 -12.914 0.486 5.537 1.00 0.20 H new ATOM 0 HG13 VAL B 24 -14.168 -0.376 6.460 1.00 0.20 H new ATOM 0 HG21 VAL B 24 -12.213 -2.210 7.969 1.00 0.18 H new ATOM 0 HG22 VAL B 24 -13.705 -2.796 7.196 1.00 0.18 H new ATOM 0 HG23 VAL B 24 -12.138 -3.527 6.775 1.00 0.18 H new ATOM 1802 N GLY B 25 -14.304 -0.544 3.230 1.00 0.21 N ATOM 1803 CA GLY B 25 -14.452 0.520 2.261 1.00 0.27 C ATOM 1804 C GLY B 25 -14.832 1.826 2.928 1.00 0.07 C ATOM 1805 O GLY B 25 -16.008 2.174 3.002 1.00 0.28 O ATOM 0 H GLY B 25 -15.180 -0.900 3.612 1.00 0.21 H new ATOM 0 HA2 GLY B 25 -13.518 0.648 1.713 1.00 0.27 H new ATOM 0 HA3 GLY B 25 -15.215 0.247 1.532 1.00 0.27 H new ATOM 1809 N ALA B 26 -13.830 2.547 3.416 1.00 0.15 N ATOM 1810 CA ALA B 26 -14.053 3.820 4.095 1.00 0.36 C ATOM 1811 C ALA B 26 -14.006 4.989 3.113 1.00 0.34 C ATOM 1812 O ALA B 26 -13.630 6.109 3.470 1.00 0.57 O ATOM 1813 CB ALA B 26 -13.021 4.008 5.196 1.00 0.61 C ATOM 0 H ALA B 26 -12.850 2.271 3.354 1.00 0.15 H new ATOM 0 HA ALA B 26 -15.049 3.800 4.538 1.00 0.36 H new ATOM 0 HB1 ALA B 26 -13.194 4.960 5.698 1.00 0.61 H new ATOM 0 HB2 ALA B 26 -13.107 3.196 5.918 1.00 0.61 H new ATOM 0 HB3 ALA B 26 -12.021 4.003 4.762 1.00 0.61 H new ATOM 1819 N GLU B 27 -14.415 4.730 1.880 1.00 0.08 N ATOM 1820 CA GLU B 27 -14.421 5.746 0.842 1.00 0.06 C ATOM 1821 C GLU B 27 -15.545 5.470 -0.150 1.00 0.07 C ATOM 1822 O GLU B 27 -16.406 4.623 0.105 1.00 0.08 O ATOM 1823 CB GLU B 27 -13.068 5.784 0.119 1.00 0.06 C ATOM 1824 CG GLU B 27 -12.401 7.154 0.150 1.00 0.97 C ATOM 1825 CD GLU B 27 -13.284 8.249 -0.411 1.00 1.82 C ATOM 1826 OE1 GLU B 27 -13.707 8.134 -1.582 1.00 2.44 O1- ATOM 1827 OE2 GLU B 27 -13.576 9.220 0.318 1.00 2.18 O ATOM 0 H GLU B 27 -14.749 3.816 1.574 1.00 0.08 H new ATOM 0 HA GLU B 27 -14.590 6.718 1.305 1.00 0.06 H new ATOM 0 HB2 GLU B 27 -12.400 5.053 0.575 1.00 0.06 H new ATOM 0 HB3 GLU B 27 -13.211 5.481 -0.918 1.00 0.06 H new ATOM 0 HG2 GLU B 27 -12.134 7.400 1.178 1.00 0.97 H new ATOM 0 HG3 GLU B 27 -11.473 7.114 -0.420 1.00 0.97 H new ATOM 1834 N SER B 28 -15.548 6.197 -1.259 1.00 0.08 N ATOM 1835 CA SER B 28 -16.555 6.032 -2.295 1.00 0.11 C ATOM 1836 C SER B 28 -16.556 4.594 -2.828 1.00 0.14 C ATOM 1837 O SER B 28 -15.492 4.006 -3.046 1.00 0.14 O ATOM 1838 CB SER B 28 -16.297 7.031 -3.426 1.00 0.16 C ATOM 1839 OG SER B 28 -15.976 8.315 -2.905 1.00 0.98 O ATOM 0 H SER B 28 -14.854 6.916 -1.464 1.00 0.08 H new ATOM 0 HA SER B 28 -17.538 6.228 -1.868 1.00 0.11 H new ATOM 0 HB2 SER B 28 -15.480 6.674 -4.053 1.00 0.16 H new ATOM 0 HB3 SER B 28 -17.179 7.102 -4.062 1.00 0.16 H new ATOM 0 HG SER B 28 -15.010 8.374 -2.754 1.00 0.98 H new ATOM 1845 N PRO B 29 -17.753 4.021 -3.043 1.00 0.17 N ATOM 1846 CA PRO B 29 -17.925 2.640 -3.526 1.00 0.21 C ATOM 1847 C PRO B 29 -17.134 2.324 -4.797 1.00 0.18 C ATOM 1848 O PRO B 29 -16.662 1.201 -4.973 1.00 0.20 O ATOM 1849 CB PRO B 29 -19.433 2.526 -3.799 1.00 0.30 C ATOM 1850 CG PRO B 29 -19.962 3.921 -3.739 1.00 0.28 C ATOM 1851 CD PRO B 29 -19.048 4.675 -2.821 1.00 0.18 C ATOM 0 HA PRO B 29 -17.549 1.929 -2.790 1.00 0.21 H new ATOM 0 HB2 PRO B 29 -19.621 2.078 -4.775 1.00 0.30 H new ATOM 0 HB3 PRO B 29 -19.918 1.891 -3.057 1.00 0.30 H new ATOM 0 HG2 PRO B 29 -19.979 4.374 -4.730 1.00 0.28 H new ATOM 0 HG3 PRO B 29 -20.986 3.933 -3.366 1.00 0.28 H new ATOM 0 HD2 PRO B 29 -19.013 5.736 -3.067 1.00 0.18 H new ATOM 0 HD3 PRO B 29 -19.366 4.599 -1.781 1.00 0.18 H new ATOM 1859 N ALA B 30 -16.996 3.302 -5.682 1.00 0.18 N ATOM 1860 CA ALA B 30 -16.258 3.101 -6.928 1.00 0.16 C ATOM 1861 C ALA B 30 -14.759 3.301 -6.721 1.00 0.10 C ATOM 1862 O ALA B 30 -13.939 2.694 -7.410 1.00 0.05 O ATOM 1863 CB ALA B 30 -16.775 4.036 -8.009 1.00 0.20 C ATOM 0 H ALA B 30 -17.382 4.239 -5.564 1.00 0.18 H new ATOM 0 HA ALA B 30 -16.418 2.072 -7.250 1.00 0.16 H new ATOM 0 HB1 ALA B 30 -16.215 3.873 -8.930 1.00 0.20 H new ATOM 0 HB2 ALA B 30 -17.832 3.837 -8.187 1.00 0.20 H new ATOM 0 HB3 ALA B 30 -16.650 5.070 -7.686 1.00 0.20 H new ATOM 1869 N HIS B 31 -14.404 4.136 -5.754 1.00 0.15 N ATOM 1870 CA HIS B 31 -13.001 4.414 -5.461 1.00 0.13 C ATOM 1871 C HIS B 31 -12.321 3.165 -4.912 1.00 0.07 C ATOM 1872 O HIS B 31 -11.136 2.934 -5.142 1.00 0.05 O ATOM 1873 CB HIS B 31 -12.882 5.567 -4.463 1.00 0.20 C ATOM 1874 CG HIS B 31 -11.490 6.105 -4.314 1.00 0.38 C ATOM 1875 ND1 HIS B 31 -10.807 6.718 -5.335 1.00 0.76 N ATOM 1876 CD2 HIS B 31 -10.665 6.137 -3.244 1.00 1.42 C ATOM 1877 CE1 HIS B 31 -9.621 7.101 -4.904 1.00 0.48 C ATOM 1878 NE2 HIS B 31 -9.505 6.767 -3.630 1.00 1.22 N ATOM 0 H HIS B 31 -15.066 4.633 -5.158 1.00 0.15 H new ATOM 0 HA HIS B 31 -12.503 4.706 -6.386 1.00 0.13 H new ATOM 0 HB2 HIS B 31 -13.541 6.376 -4.778 1.00 0.20 H new ATOM 0 HB3 HIS B 31 -13.236 5.229 -3.489 1.00 0.20 H new ATOM 0 HD2 HIS B 31 -10.878 5.739 -2.263 1.00 1.42 H new ATOM 0 HE1 HIS B 31 -8.869 7.604 -5.494 1.00 0.48 H new ATOM 0 HE2 HIS B 31 -8.695 6.946 -3.036 1.00 1.22 H new ATOM 1887 N ILE B 32 -13.091 2.360 -4.194 1.00 0.08 N ATOM 1888 CA ILE B 32 -12.584 1.116 -3.610 1.00 0.08 C ATOM 1889 C ILE B 32 -12.641 -0.034 -4.617 1.00 0.07 C ATOM 1890 O ILE B 32 -12.353 -1.182 -4.285 1.00 0.14 O ATOM 1891 CB ILE B 32 -13.353 0.733 -2.319 1.00 0.11 C ATOM 1892 CG1 ILE B 32 -14.815 0.344 -2.635 1.00 0.13 C ATOM 1893 CG2 ILE B 32 -13.286 1.889 -1.323 1.00 0.12 C ATOM 1894 CD1 ILE B 32 -15.695 0.141 -1.417 1.00 0.10 C ATOM 0 H ILE B 32 -14.075 2.543 -3.998 1.00 0.08 H new ATOM 0 HA ILE B 32 -11.542 1.293 -3.344 1.00 0.08 H new ATOM 0 HB ILE B 32 -12.881 -0.142 -1.872 1.00 0.11 H new ATOM 0 HG12 ILE B 32 -15.256 1.121 -3.260 1.00 0.13 H new ATOM 0 HG13 ILE B 32 -14.813 -0.574 -3.222 1.00 0.13 H new ATOM 0 HG21 ILE B 32 -13.827 1.619 -0.416 1.00 0.12 H new ATOM 0 HG22 ILE B 32 -12.245 2.097 -1.077 1.00 0.12 H new ATOM 0 HG23 ILE B 32 -13.739 2.777 -1.765 1.00 0.12 H new ATOM 0 HD11 ILE B 32 -16.702 -0.129 -1.736 1.00 0.10 H new ATOM 0 HD12 ILE B 32 -15.284 -0.658 -0.800 1.00 0.10 H new ATOM 0 HD13 ILE B 32 -15.733 1.064 -0.838 1.00 0.10 H new ATOM 1906 N ARG B 33 -13.011 0.284 -5.850 1.00 0.07 N ATOM 1907 CA ARG B 33 -13.075 -0.718 -6.902 1.00 0.05 C ATOM 1908 C ARG B 33 -11.795 -0.695 -7.720 1.00 0.04 C ATOM 1909 O ARG B 33 -11.255 -1.742 -8.073 1.00 0.05 O ATOM 1910 CB ARG B 33 -14.287 -0.488 -7.811 1.00 0.07 C ATOM 1911 CG ARG B 33 -15.353 -1.564 -7.689 1.00 0.59 C ATOM 1912 CD ARG B 33 -15.976 -1.578 -6.303 1.00 0.36 C ATOM 1913 NE ARG B 33 -17.002 -2.609 -6.169 1.00 0.42 N ATOM 1914 CZ ARG B 33 -18.087 -2.479 -5.407 1.00 0.84 C ATOM 1915 NH1 ARG B 33 -18.287 -1.361 -4.719 1.00 1.03 N1+ ATOM 1916 NH2 ARG B 33 -18.968 -3.468 -5.332 1.00 1.46 N ATOM 0 H ARG B 33 -13.270 1.225 -6.145 1.00 0.07 H new ATOM 0 HA ARG B 33 -13.185 -1.696 -6.434 1.00 0.05 H new ATOM 0 HB2 ARG B 33 -14.730 0.479 -7.573 1.00 0.07 H new ATOM 0 HB3 ARG B 33 -13.950 -0.438 -8.846 1.00 0.07 H new ATOM 0 HG2 ARG B 33 -16.129 -1.395 -8.436 1.00 0.59 H new ATOM 0 HG3 ARG B 33 -14.913 -2.539 -7.901 1.00 0.59 H new ATOM 0 HD2 ARG B 33 -15.197 -1.744 -5.558 1.00 0.36 H new ATOM 0 HD3 ARG B 33 -16.414 -0.602 -6.094 1.00 0.36 H new ATOM 0 HE ARG B 33 -16.881 -3.478 -6.689 1.00 0.42 H new ATOM 0 HH11 ARG B 33 -17.609 -0.600 -4.774 1.00 1.03 H new ATOM 0 HH12 ARG B 33 -19.118 -1.263 -4.136 1.00 1.03 H new ATOM 0 HH21 ARG B 33 -18.815 -4.328 -5.858 1.00 1.46 H new ATOM 0 HH22 ARG B 33 -19.799 -3.368 -4.748 1.00 1.46 H new ATOM 1930 N LEU B 34 -11.295 0.508 -7.997 1.00 0.06 N ATOM 1931 CA LEU B 34 -10.069 0.660 -8.772 1.00 0.09 C ATOM 1932 C LEU B 34 -8.876 0.094 -8.005 1.00 0.08 C ATOM 1933 O LEU B 34 -7.879 -0.311 -8.603 1.00 0.12 O ATOM 1934 CB LEU B 34 -9.831 2.132 -9.143 1.00 0.12 C ATOM 1935 CG LEU B 34 -9.656 3.102 -7.968 1.00 0.10 C ATOM 1936 CD1 LEU B 34 -8.180 3.328 -7.670 1.00 0.09 C ATOM 1937 CD2 LEU B 34 -10.340 4.425 -8.270 1.00 0.14 C ATOM 0 H LEU B 34 -11.719 1.386 -7.697 1.00 0.06 H new ATOM 0 HA LEU B 34 -10.181 0.096 -9.698 1.00 0.09 H new ATOM 0 HB2 LEU B 34 -8.942 2.189 -9.771 1.00 0.12 H new ATOM 0 HB3 LEU B 34 -10.671 2.474 -9.748 1.00 0.12 H new ATOM 0 HG LEU B 34 -10.120 2.659 -7.087 1.00 0.10 H new ATOM 0 HD11 LEU B 34 -8.079 4.019 -6.833 1.00 0.09 H new ATOM 0 HD12 LEU B 34 -7.711 2.378 -7.414 1.00 0.09 H new ATOM 0 HD13 LEU B 34 -7.692 3.749 -8.549 1.00 0.09 H new ATOM 0 HD21 LEU B 34 -10.208 5.104 -7.427 1.00 0.14 H new ATOM 0 HD22 LEU B 34 -9.900 4.866 -9.164 1.00 0.14 H new ATOM 0 HD23 LEU B 34 -11.404 4.255 -8.435 1.00 0.14 H new ATOM 1949 N VAL B 35 -8.998 0.062 -6.679 1.00 0.05 N ATOM 1950 CA VAL B 35 -7.945 -0.467 -5.821 1.00 0.08 C ATOM 1951 C VAL B 35 -7.667 -1.919 -6.178 1.00 0.08 C ATOM 1952 O VAL B 35 -6.516 -2.359 -6.222 1.00 0.11 O ATOM 1953 CB VAL B 35 -8.333 -0.389 -4.330 1.00 0.09 C ATOM 1954 CG1 VAL B 35 -7.145 -0.745 -3.455 1.00 0.14 C ATOM 1955 CG2 VAL B 35 -8.862 0.993 -3.977 1.00 0.09 C ATOM 0 H VAL B 35 -9.819 0.398 -6.176 1.00 0.05 H new ATOM 0 HA VAL B 35 -7.055 0.142 -5.982 1.00 0.08 H new ATOM 0 HB VAL B 35 -9.129 -1.111 -4.147 1.00 0.09 H new ATOM 0 HG11 VAL B 35 -7.435 -0.685 -2.406 1.00 0.14 H new ATOM 0 HG12 VAL B 35 -6.816 -1.759 -3.683 1.00 0.14 H new ATOM 0 HG13 VAL B 35 -6.330 -0.047 -3.646 1.00 0.14 H new ATOM 0 HG21 VAL B 35 -9.128 1.022 -2.920 1.00 0.09 H new ATOM 0 HG22 VAL B 35 -8.093 1.739 -4.178 1.00 0.09 H new ATOM 0 HG23 VAL B 35 -9.744 1.210 -4.580 1.00 0.09 H new ATOM 1965 N ALA B 36 -8.738 -2.648 -6.449 1.00 0.07 N ATOM 1966 CA ALA B 36 -8.641 -4.051 -6.815 1.00 0.07 C ATOM 1967 C ALA B 36 -7.792 -4.238 -8.069 1.00 0.09 C ATOM 1968 O ALA B 36 -6.869 -5.049 -8.087 1.00 0.09 O ATOM 1969 CB ALA B 36 -10.027 -4.628 -7.034 1.00 0.08 C ATOM 0 H ALA B 36 -9.692 -2.287 -6.422 1.00 0.07 H new ATOM 0 HA ALA B 36 -8.155 -4.581 -5.996 1.00 0.07 H new ATOM 0 HB1 ALA B 36 -9.944 -5.680 -7.308 1.00 0.08 H new ATOM 0 HB2 ALA B 36 -10.608 -4.537 -6.116 1.00 0.08 H new ATOM 0 HB3 ALA B 36 -10.526 -4.083 -7.835 1.00 0.08 H new ATOM 1975 N ALA B 37 -8.102 -3.459 -9.105 1.00 0.12 N ATOM 1976 CA ALA B 37 -7.374 -3.529 -10.368 1.00 0.15 C ATOM 1977 C ALA B 37 -5.925 -3.088 -10.184 1.00 0.17 C ATOM 1978 O ALA B 37 -5.022 -3.573 -10.867 1.00 0.19 O ATOM 1979 CB ALA B 37 -8.060 -2.671 -11.423 1.00 0.21 C ATOM 0 H ALA B 37 -8.855 -2.771 -9.092 1.00 0.12 H new ATOM 0 HA ALA B 37 -7.375 -4.565 -10.706 1.00 0.15 H new ATOM 0 HB1 ALA B 37 -7.506 -2.733 -12.359 1.00 0.21 H new ATOM 0 HB2 ALA B 37 -9.077 -3.030 -11.579 1.00 0.21 H new ATOM 0 HB3 ALA B 37 -8.089 -1.635 -11.087 1.00 0.21 H new ATOM 1985 N PHE B 38 -5.717 -2.162 -9.252 1.00 0.16 N ATOM 1986 CA PHE B 38 -4.386 -1.646 -8.960 1.00 0.18 C ATOM 1987 C PHE B 38 -3.487 -2.749 -8.401 1.00 0.15 C ATOM 1988 O PHE B 38 -2.355 -2.924 -8.847 1.00 0.16 O ATOM 1989 CB PHE B 38 -4.481 -0.480 -7.967 1.00 0.23 C ATOM 1990 CG PHE B 38 -3.157 0.152 -7.634 1.00 0.20 C ATOM 1991 CD1 PHE B 38 -2.565 1.050 -8.505 1.00 0.37 C ATOM 1992 CD2 PHE B 38 -2.508 -0.150 -6.447 1.00 0.28 C ATOM 1993 CE1 PHE B 38 -1.348 1.631 -8.202 1.00 0.36 C ATOM 1994 CE2 PHE B 38 -1.292 0.428 -6.140 1.00 0.27 C ATOM 1995 CZ PHE B 38 -0.711 1.321 -7.018 1.00 0.14 C ATOM 0 H PHE B 38 -6.459 -1.753 -8.684 1.00 0.16 H new ATOM 0 HA PHE B 38 -3.943 -1.285 -9.888 1.00 0.18 H new ATOM 0 HB2 PHE B 38 -5.142 0.282 -8.380 1.00 0.23 H new ATOM 0 HB3 PHE B 38 -4.943 -0.837 -7.047 1.00 0.23 H new ATOM 0 HD1 PHE B 38 -3.060 1.300 -9.432 1.00 0.37 H new ATOM 0 HD2 PHE B 38 -2.959 -0.845 -5.754 1.00 0.28 H new ATOM 0 HE1 PHE B 38 -0.896 2.328 -8.892 1.00 0.36 H new ATOM 0 HE2 PHE B 38 -0.796 0.181 -5.213 1.00 0.27 H new ATOM 0 HZ PHE B 38 0.239 1.775 -6.779 1.00 0.14 H new ATOM 2005 N VAL B 39 -4.006 -3.500 -7.438 1.00 0.14 N ATOM 2006 CA VAL B 39 -3.241 -4.577 -6.817 1.00 0.14 C ATOM 2007 C VAL B 39 -3.112 -5.761 -7.774 1.00 0.14 C ATOM 2008 O VAL B 39 -2.073 -6.425 -7.825 1.00 0.19 O ATOM 2009 CB VAL B 39 -3.889 -5.051 -5.495 1.00 0.15 C ATOM 2010 CG1 VAL B 39 -3.050 -6.141 -4.837 1.00 0.15 C ATOM 2011 CG2 VAL B 39 -4.079 -3.886 -4.535 1.00 0.22 C ATOM 0 H VAL B 39 -4.950 -3.385 -7.070 1.00 0.14 H new ATOM 0 HA VAL B 39 -2.251 -4.181 -6.590 1.00 0.14 H new ATOM 0 HB VAL B 39 -4.868 -5.465 -5.736 1.00 0.15 H new ATOM 0 HG11 VAL B 39 -3.527 -6.457 -3.909 1.00 0.15 H new ATOM 0 HG12 VAL B 39 -2.967 -6.993 -5.511 1.00 0.15 H new ATOM 0 HG13 VAL B 39 -2.055 -5.753 -4.619 1.00 0.15 H new ATOM 0 HG21 VAL B 39 -4.536 -4.245 -3.613 1.00 0.22 H new ATOM 0 HG22 VAL B 39 -3.111 -3.439 -4.310 1.00 0.22 H new ATOM 0 HG23 VAL B 39 -4.726 -3.138 -4.994 1.00 0.22 H new ATOM 2021 N ASP B 40 -4.168 -6.003 -8.542 1.00 0.14 N ATOM 2022 CA ASP B 40 -4.191 -7.095 -9.511 1.00 0.21 C ATOM 2023 C ASP B 40 -3.057 -6.933 -10.520 1.00 0.27 C ATOM 2024 O ASP B 40 -2.298 -7.869 -10.783 1.00 0.34 O ATOM 2025 CB ASP B 40 -5.541 -7.124 -10.236 1.00 0.21 C ATOM 2026 CG ASP B 40 -5.865 -8.478 -10.835 1.00 0.33 C ATOM 2027 OD1 ASP B 40 -5.292 -8.821 -11.890 1.00 0.32 O1- ATOM 2028 OD2 ASP B 40 -6.710 -9.201 -10.265 1.00 0.47 O ATOM 0 H ASP B 40 -5.027 -5.453 -8.512 1.00 0.14 H new ATOM 0 HA ASP B 40 -4.053 -8.037 -8.980 1.00 0.21 H new ATOM 0 HB2 ASP B 40 -6.329 -6.845 -9.536 1.00 0.21 H new ATOM 0 HB3 ASP B 40 -5.538 -6.375 -11.027 1.00 0.21 H new ATOM 2033 N ASP B 41 -2.933 -5.727 -11.060 1.00 0.28 N ATOM 2034 CA ASP B 41 -1.892 -5.425 -12.036 1.00 0.37 C ATOM 2035 C ASP B 41 -0.516 -5.388 -11.377 1.00 0.32 C ATOM 2036 O ASP B 41 0.468 -5.866 -11.944 1.00 0.32 O ATOM 2037 CB ASP B 41 -2.169 -4.083 -12.716 1.00 0.46 C ATOM 2038 CG ASP B 41 -1.071 -3.690 -13.682 1.00 0.78 C ATOM 2039 OD1 ASP B 41 -0.953 -4.338 -14.744 1.00 1.11 O1- ATOM 2040 OD2 ASP B 41 -0.325 -2.734 -13.391 1.00 0.92 O ATOM 0 H ASP B 41 -3.542 -4.940 -10.838 1.00 0.28 H new ATOM 0 HA ASP B 41 -1.900 -6.217 -12.785 1.00 0.37 H new ATOM 0 HB2 ASP B 41 -3.117 -4.138 -13.250 1.00 0.46 H new ATOM 0 HB3 ASP B 41 -2.276 -3.309 -11.956 1.00 0.46 H new ATOM 2045 N LYS B 42 -0.463 -4.832 -10.170 1.00 0.28 N ATOM 2046 CA LYS B 42 0.786 -4.716 -9.421 1.00 0.24 C ATOM 2047 C LYS B 42 1.436 -6.080 -9.209 1.00 0.20 C ATOM 2048 O LYS B 42 2.651 -6.220 -9.312 1.00 0.18 O ATOM 2049 CB LYS B 42 0.533 -4.037 -8.068 1.00 0.24 C ATOM 2050 CG LYS B 42 1.765 -3.372 -7.463 1.00 0.21 C ATOM 2051 CD LYS B 42 1.651 -1.856 -7.478 1.00 0.40 C ATOM 2052 CE LYS B 42 2.350 -1.250 -8.684 1.00 0.55 C ATOM 2053 NZ LYS B 42 3.821 -1.145 -8.481 1.00 0.48 N1+ ATOM 0 H LYS B 42 -1.277 -4.452 -9.686 1.00 0.28 H new ATOM 0 HA LYS B 42 1.471 -4.103 -10.007 1.00 0.24 H new ATOM 0 HB2 LYS B 42 -0.248 -3.286 -8.191 1.00 0.24 H new ATOM 0 HB3 LYS B 42 0.153 -4.780 -7.367 1.00 0.24 H new ATOM 0 HG2 LYS B 42 1.898 -3.717 -6.437 1.00 0.21 H new ATOM 0 HG3 LYS B 42 2.652 -3.676 -8.019 1.00 0.21 H new ATOM 0 HD2 LYS B 42 0.599 -1.571 -7.486 1.00 0.40 H new ATOM 0 HD3 LYS B 42 2.085 -1.450 -6.564 1.00 0.40 H new ATOM 0 HE2 LYS B 42 2.148 -1.860 -9.565 1.00 0.55 H new ATOM 0 HE3 LYS B 42 1.940 -0.260 -8.881 1.00 0.55 H new ATOM 0 HZ1 LYS B 42 4.311 -1.361 -9.373 1.00 0.48 H new ATOM 0 HZ2 LYS B 42 4.062 -0.179 -8.179 1.00 0.48 H new ATOM 0 HZ3 LYS B 42 4.120 -1.821 -7.749 1.00 0.48 H new ATOM 2067 N MET B 43 0.629 -7.092 -8.924 1.00 0.21 N ATOM 2068 CA MET B 43 1.156 -8.437 -8.702 1.00 0.19 C ATOM 2069 C MET B 43 1.624 -9.062 -10.010 1.00 0.17 C ATOM 2070 O MET B 43 2.525 -9.898 -10.022 1.00 0.18 O ATOM 2071 CB MET B 43 0.109 -9.336 -8.038 1.00 0.24 C ATOM 2072 CG MET B 43 0.566 -9.919 -6.711 1.00 0.25 C ATOM 2073 SD MET B 43 -0.541 -11.203 -6.099 1.00 0.31 S ATOM 2074 CE MET B 43 -2.091 -10.309 -6.012 1.00 0.24 C ATOM 0 H MET B 43 -0.384 -7.012 -8.841 1.00 0.21 H new ATOM 0 HA MET B 43 2.011 -8.348 -8.032 1.00 0.19 H new ATOM 0 HB2 MET B 43 -0.803 -8.761 -7.879 1.00 0.24 H new ATOM 0 HB3 MET B 43 -0.142 -10.151 -8.717 1.00 0.24 H new ATOM 0 HG2 MET B 43 1.568 -10.333 -6.826 1.00 0.25 H new ATOM 0 HG3 MET B 43 0.634 -9.121 -5.972 1.00 0.25 H new ATOM 0 HE1 MET B 43 -2.840 -10.927 -5.517 1.00 0.24 H new ATOM 0 HE2 MET B 43 -1.949 -9.388 -5.446 1.00 0.24 H new ATOM 0 HE3 MET B 43 -2.428 -10.067 -7.020 1.00 0.24 H new ATOM 2084 N HIS B 44 1.033 -8.629 -11.114 1.00 0.16 N ATOM 2085 CA HIS B 44 1.381 -9.161 -12.427 1.00 0.19 C ATOM 2086 C HIS B 44 2.818 -8.806 -12.816 1.00 0.25 C ATOM 2087 O HIS B 44 3.469 -9.565 -13.535 1.00 0.61 O ATOM 2088 CB HIS B 44 0.414 -8.655 -13.504 1.00 0.26 C ATOM 2089 CG HIS B 44 -0.768 -9.548 -13.731 1.00 0.47 C ATOM 2090 ND1 HIS B 44 -0.662 -10.824 -14.246 1.00 0.54 N ATOM 2091 CD2 HIS B 44 -2.089 -9.342 -13.519 1.00 1.09 C ATOM 2092 CE1 HIS B 44 -1.864 -11.358 -14.343 1.00 1.18 C ATOM 2093 NE2 HIS B 44 -2.744 -10.481 -13.908 1.00 1.53 N ATOM 0 H HIS B 44 0.309 -7.910 -11.129 1.00 0.16 H new ATOM 0 HA HIS B 44 1.299 -10.246 -12.361 1.00 0.19 H new ATOM 0 HB2 HIS B 44 0.059 -7.664 -13.222 1.00 0.26 H new ATOM 0 HB3 HIS B 44 0.958 -8.544 -14.442 1.00 0.26 H new ATOM 0 HD2 HIS B 44 -2.542 -8.447 -13.118 1.00 1.09 H new ATOM 0 HE1 HIS B 44 -2.088 -12.347 -14.716 1.00 1.18 H new ATOM 0 HE2 HIS B 44 -3.753 -10.626 -13.867 1.00 1.53 H new ATOM 2102 N GLU B 45 3.317 -7.669 -12.336 1.00 0.14 N ATOM 2103 CA GLU B 45 4.677 -7.246 -12.667 1.00 0.11 C ATOM 2104 C GLU B 45 5.709 -8.113 -11.945 1.00 0.07 C ATOM 2105 O GLU B 45 6.726 -8.500 -12.521 1.00 0.03 O ATOM 2106 CB GLU B 45 4.893 -5.756 -12.342 1.00 0.10 C ATOM 2107 CG GLU B 45 5.113 -5.447 -10.862 1.00 0.07 C ATOM 2108 CD GLU B 45 5.655 -4.051 -10.624 1.00 0.22 C ATOM 2109 OE1 GLU B 45 6.850 -3.814 -10.905 1.00 0.49 O ATOM 2110 OE2 GLU B 45 4.893 -3.180 -10.152 1.00 0.43 O1- ATOM 0 H GLU B 45 2.808 -7.031 -11.724 1.00 0.14 H new ATOM 0 HA GLU B 45 4.813 -7.377 -13.741 1.00 0.11 H new ATOM 0 HB2 GLU B 45 5.754 -5.397 -12.905 1.00 0.10 H new ATOM 0 HB3 GLU B 45 4.027 -5.193 -12.691 1.00 0.10 H new ATOM 0 HG2 GLU B 45 4.169 -5.561 -10.328 1.00 0.07 H new ATOM 0 HG3 GLU B 45 5.806 -6.177 -10.443 1.00 0.07 H new ATOM 2117 N PHE B 46 5.428 -8.449 -10.692 1.00 0.11 N ATOM 2118 CA PHE B 46 6.347 -9.253 -9.901 1.00 0.10 C ATOM 2119 C PHE B 46 6.294 -10.717 -10.316 1.00 0.10 C ATOM 2120 O PHE B 46 7.266 -11.455 -10.128 1.00 0.11 O ATOM 2121 CB PHE B 46 6.052 -9.096 -8.410 1.00 0.11 C ATOM 2122 CG PHE B 46 6.668 -7.862 -7.812 1.00 0.13 C ATOM 2123 CD1 PHE B 46 8.034 -7.637 -7.911 1.00 0.16 C ATOM 2124 CD2 PHE B 46 5.888 -6.927 -7.152 1.00 0.14 C ATOM 2125 CE1 PHE B 46 8.605 -6.504 -7.364 1.00 0.17 C ATOM 2126 CE2 PHE B 46 6.456 -5.795 -6.603 1.00 0.14 C ATOM 2127 CZ PHE B 46 7.815 -5.584 -6.708 1.00 0.15 C ATOM 0 H PHE B 46 4.574 -8.178 -10.205 1.00 0.11 H new ATOM 0 HA PHE B 46 7.358 -8.893 -10.089 1.00 0.10 H new ATOM 0 HB2 PHE B 46 4.973 -9.064 -8.261 1.00 0.11 H new ATOM 0 HB3 PHE B 46 6.422 -9.973 -7.879 1.00 0.11 H new ATOM 0 HD1 PHE B 46 8.658 -8.356 -8.421 1.00 0.16 H new ATOM 0 HD2 PHE B 46 4.823 -7.085 -7.066 1.00 0.14 H new ATOM 0 HE1 PHE B 46 9.669 -6.339 -7.450 1.00 0.17 H new ATOM 0 HE2 PHE B 46 5.836 -5.074 -6.091 1.00 0.14 H new ATOM 0 HZ PHE B 46 8.260 -4.699 -6.277 1.00 0.15 H new ATOM 2137 N SER B 47 5.171 -11.132 -10.891 1.00 0.09 N ATOM 2138 CA SER B 47 5.011 -12.509 -11.351 1.00 0.10 C ATOM 2139 C SER B 47 5.978 -12.811 -12.496 1.00 0.09 C ATOM 2140 O SER B 47 6.279 -13.972 -12.778 1.00 0.13 O ATOM 2141 CB SER B 47 3.569 -12.766 -11.789 1.00 0.13 C ATOM 2142 OG SER B 47 2.705 -12.826 -10.669 1.00 0.49 O ATOM 0 H SER B 47 4.358 -10.537 -11.050 1.00 0.09 H new ATOM 0 HA SER B 47 5.243 -13.175 -10.520 1.00 0.10 H new ATOM 0 HB2 SER B 47 3.243 -11.974 -12.463 1.00 0.13 H new ATOM 0 HB3 SER B 47 3.515 -13.701 -12.346 1.00 0.13 H new ATOM 0 HG SER B 47 2.443 -11.918 -10.409 1.00 0.49 H new ATOM 2148 N GLU B 48 6.455 -11.757 -13.151 1.00 0.13 N ATOM 2149 CA GLU B 48 7.405 -11.906 -14.241 1.00 0.12 C ATOM 2150 C GLU B 48 8.827 -11.918 -13.687 1.00 0.09 C ATOM 2151 O GLU B 48 9.720 -12.549 -14.252 1.00 0.07 O ATOM 2152 CB GLU B 48 7.239 -10.775 -15.258 1.00 0.15 C ATOM 2153 CG GLU B 48 8.232 -10.840 -16.407 1.00 0.17 C ATOM 2154 CD GLU B 48 7.919 -9.855 -17.510 1.00 0.71 C ATOM 2155 OE1 GLU B 48 8.101 -8.636 -17.299 1.00 1.67 O ATOM 2156 OE2 GLU B 48 7.500 -10.295 -18.599 1.00 0.76 O1- ATOM 0 H GLU B 48 6.198 -10.792 -12.944 1.00 0.13 H new ATOM 0 HA GLU B 48 7.213 -12.851 -14.749 1.00 0.12 H new ATOM 0 HB2 GLU B 48 6.227 -10.806 -15.661 1.00 0.15 H new ATOM 0 HB3 GLU B 48 7.350 -9.819 -14.747 1.00 0.15 H new ATOM 0 HG2 GLU B 48 9.234 -10.645 -16.026 1.00 0.17 H new ATOM 0 HG3 GLU B 48 8.238 -11.849 -16.819 1.00 0.17 H new ATOM 2163 N LYS B 49 9.022 -11.227 -12.567 1.00 0.10 N ATOM 2164 CA LYS B 49 10.332 -11.158 -11.931 1.00 0.10 C ATOM 2165 C LYS B 49 10.684 -12.500 -11.307 1.00 0.15 C ATOM 2166 O LYS B 49 11.806 -12.985 -11.463 1.00 0.23 O ATOM 2167 CB LYS B 49 10.372 -10.056 -10.867 1.00 0.09 C ATOM 2168 CG LYS B 49 10.000 -8.671 -11.385 1.00 0.12 C ATOM 2169 CD LYS B 49 10.864 -8.255 -12.568 1.00 0.05 C ATOM 2170 CE LYS B 49 10.732 -6.765 -12.863 1.00 1.11 C ATOM 2171 NZ LYS B 49 11.120 -6.433 -14.258 1.00 1.14 N1+ ATOM 0 H LYS B 49 8.290 -10.708 -12.083 1.00 0.10 H new ATOM 0 HA LYS B 49 11.068 -10.917 -12.698 1.00 0.10 H new ATOM 0 HB2 LYS B 49 9.692 -10.323 -10.058 1.00 0.09 H new ATOM 0 HB3 LYS B 49 11.374 -10.015 -10.441 1.00 0.09 H new ATOM 0 HG2 LYS B 49 8.951 -8.664 -11.682 1.00 0.12 H new ATOM 0 HG3 LYS B 49 10.109 -7.942 -10.582 1.00 0.12 H new ATOM 0 HD2 LYS B 49 11.907 -8.494 -12.360 1.00 0.05 H new ATOM 0 HD3 LYS B 49 10.576 -8.828 -13.449 1.00 0.05 H new ATOM 0 HE2 LYS B 49 9.702 -6.452 -12.690 1.00 1.11 H new ATOM 0 HE3 LYS B 49 11.357 -6.202 -12.170 1.00 1.11 H new ATOM 0 HZ1 LYS B 49 11.015 -5.410 -14.414 1.00 1.14 H new ATOM 0 HZ2 LYS B 49 12.110 -6.707 -14.417 1.00 1.14 H new ATOM 0 HZ3 LYS B 49 10.507 -6.949 -14.921 1.00 1.14 H new ATOM 2185 N GLN B 50 9.707 -13.089 -10.614 1.00 0.20 N ATOM 2186 CA GLN B 50 9.873 -14.387 -9.956 1.00 0.30 C ATOM 2187 C GLN B 50 11.022 -14.353 -8.945 1.00 0.13 C ATOM 2188 O GLN B 50 12.095 -14.899 -9.195 1.00 0.29 O ATOM 2189 CB GLN B 50 10.112 -15.483 -11.003 1.00 0.53 C ATOM 2190 CG GLN B 50 9.039 -15.541 -12.081 1.00 1.05 C ATOM 2191 CD GLN B 50 9.566 -16.069 -13.400 1.00 1.30 C ATOM 2192 OE1 GLN B 50 10.748 -15.928 -13.714 1.00 1.37 O ATOM 2193 NE2 GLN B 50 8.692 -16.677 -14.189 1.00 1.60 N ATOM 0 H GLN B 50 8.780 -12.681 -10.493 1.00 0.20 H new ATOM 0 HA GLN B 50 8.956 -14.611 -9.411 1.00 0.30 H new ATOM 0 HB2 GLN B 50 11.081 -15.318 -11.475 1.00 0.53 H new ATOM 0 HB3 GLN B 50 10.163 -16.449 -10.500 1.00 0.53 H new ATOM 0 HG2 GLN B 50 8.221 -16.176 -11.740 1.00 1.05 H new ATOM 0 HG3 GLN B 50 8.627 -14.543 -12.232 1.00 1.05 H new ATOM 0 HE21 GLN B 50 7.720 -16.775 -13.894 1.00 1.60 H new ATOM 0 HE22 GLN B 50 8.991 -17.047 -15.091 1.00 1.60 H new ATOM 2202 N PRO B 51 10.807 -13.710 -7.784 1.00 0.16 N ATOM 2203 CA PRO B 51 11.833 -13.598 -6.746 1.00 0.27 C ATOM 2204 C PRO B 51 12.059 -14.916 -6.011 1.00 0.20 C ATOM 2205 O PRO B 51 13.054 -15.597 -6.238 1.00 0.19 O ATOM 2206 CB PRO B 51 11.279 -12.538 -5.783 1.00 0.48 C ATOM 2207 CG PRO B 51 10.046 -11.995 -6.429 1.00 0.51 C ATOM 2208 CD PRO B 51 9.564 -13.047 -7.384 1.00 0.41 C ATOM 0 HA PRO B 51 12.802 -13.333 -7.170 1.00 0.27 H new ATOM 0 HB2 PRO B 51 11.049 -12.976 -4.812 1.00 0.48 H new ATOM 0 HB3 PRO B 51 12.010 -11.747 -5.612 1.00 0.48 H new ATOM 0 HG2 PRO B 51 9.284 -11.771 -5.683 1.00 0.51 H new ATOM 0 HG3 PRO B 51 10.261 -11.064 -6.954 1.00 0.51 H new ATOM 0 HD2 PRO B 51 8.870 -13.740 -6.907 1.00 0.41 H new ATOM 0 HD3 PRO B 51 9.044 -12.612 -8.237 1.00 0.41 H new ATOM 2216 N MET B 52 11.124 -15.270 -5.137 1.00 0.17 N ATOM 2217 CA MET B 52 11.227 -16.507 -4.371 1.00 0.11 C ATOM 2218 C MET B 52 10.357 -17.582 -5.004 1.00 0.09 C ATOM 2219 O MET B 52 10.267 -18.700 -4.501 1.00 0.08 O ATOM 2220 CB MET B 52 10.810 -16.286 -2.912 1.00 0.12 C ATOM 2221 CG MET B 52 11.323 -14.983 -2.307 1.00 0.18 C ATOM 2222 SD MET B 52 13.118 -14.818 -2.402 1.00 0.26 S ATOM 2223 CE MET B 52 13.331 -13.120 -1.876 1.00 0.43 C ATOM 0 H MET B 52 10.288 -14.720 -4.941 1.00 0.17 H new ATOM 0 HA MET B 52 12.267 -16.832 -4.382 1.00 0.11 H new ATOM 0 HB2 MET B 52 9.722 -16.299 -2.851 1.00 0.12 H new ATOM 0 HB3 MET B 52 11.173 -17.120 -2.312 1.00 0.12 H new ATOM 0 HG2 MET B 52 10.859 -14.142 -2.823 1.00 0.18 H new ATOM 0 HG3 MET B 52 11.014 -14.927 -1.263 1.00 0.18 H new ATOM 0 HE1 MET B 52 14.381 -12.940 -1.643 1.00 0.43 H new ATOM 0 HE2 MET B 52 13.017 -12.449 -2.676 1.00 0.43 H new ATOM 0 HE3 MET B 52 12.726 -12.935 -0.989 1.00 0.43 H new ATOM 2233 N LEU B 53 9.723 -17.215 -6.118 1.00 0.10 N ATOM 2234 CA LEU B 53 8.840 -18.107 -6.868 1.00 0.11 C ATOM 2235 C LEU B 53 7.800 -18.766 -5.965 1.00 0.08 C ATOM 2236 O LEU B 53 7.794 -19.985 -5.789 1.00 0.10 O ATOM 2237 CB LEU B 53 9.651 -19.168 -7.622 1.00 0.19 C ATOM 2238 CG LEU B 53 10.416 -18.637 -8.837 1.00 0.25 C ATOM 2239 CD1 LEU B 53 11.917 -18.681 -8.598 1.00 0.62 C ATOM 2240 CD2 LEU B 53 10.049 -19.421 -10.088 1.00 1.07 C ATOM 0 H LEU B 53 9.809 -16.285 -6.527 1.00 0.10 H new ATOM 0 HA LEU B 53 8.304 -17.498 -7.595 1.00 0.11 H new ATOM 0 HB2 LEU B 53 10.361 -19.623 -6.932 1.00 0.19 H new ATOM 0 HB3 LEU B 53 8.976 -19.958 -7.951 1.00 0.19 H new ATOM 0 HG LEU B 53 10.129 -17.596 -8.987 1.00 0.25 H new ATOM 0 HD11 LEU B 53 12.437 -18.298 -9.476 1.00 0.62 H new ATOM 0 HD12 LEU B 53 12.166 -18.066 -7.733 1.00 0.62 H new ATOM 0 HD13 LEU B 53 12.226 -19.710 -8.413 1.00 0.62 H new ATOM 0 HD21 LEU B 53 10.604 -19.027 -10.940 1.00 1.07 H new ATOM 0 HD22 LEU B 53 10.300 -20.472 -9.946 1.00 1.07 H new ATOM 0 HD23 LEU B 53 8.980 -19.326 -10.276 1.00 1.07 H new ATOM 2252 N ASP B 54 6.929 -17.946 -5.396 1.00 0.09 N ATOM 2253 CA ASP B 54 5.874 -18.428 -4.515 1.00 0.12 C ATOM 2254 C ASP B 54 4.786 -17.368 -4.391 1.00 0.10 C ATOM 2255 O ASP B 54 5.079 -16.174 -4.445 1.00 0.18 O ATOM 2256 CB ASP B 54 6.440 -18.773 -3.137 1.00 0.19 C ATOM 2257 CG ASP B 54 5.478 -19.588 -2.300 1.00 0.24 C ATOM 2258 OD1 ASP B 54 4.509 -20.142 -2.863 1.00 0.26 O ATOM 2259 OD2 ASP B 54 5.682 -19.675 -1.071 1.00 0.28 O1- ATOM 0 H ASP B 54 6.932 -16.935 -5.530 1.00 0.09 H new ATOM 0 HA ASP B 54 5.444 -19.334 -4.942 1.00 0.12 H new ATOM 0 HB2 ASP B 54 7.370 -19.328 -3.259 1.00 0.19 H new ATOM 0 HB3 ASP B 54 6.686 -17.852 -2.608 1.00 0.19 H new ATOM 2264 N VAL B 55 3.545 -17.804 -4.221 1.00 0.11 N ATOM 2265 CA VAL B 55 2.407 -16.889 -4.111 1.00 0.12 C ATOM 2266 C VAL B 55 2.496 -15.964 -2.884 1.00 0.08 C ATOM 2267 O VAL B 55 2.470 -14.746 -3.042 1.00 0.04 O ATOM 2268 CB VAL B 55 1.058 -17.646 -4.092 1.00 0.17 C ATOM 2269 CG1 VAL B 55 -0.107 -16.673 -4.205 1.00 0.08 C ATOM 2270 CG2 VAL B 55 0.997 -18.676 -5.208 1.00 0.32 C ATOM 0 H VAL B 55 3.296 -18.791 -4.155 1.00 0.11 H new ATOM 0 HA VAL B 55 2.452 -16.265 -5.004 1.00 0.12 H new ATOM 0 HB VAL B 55 0.981 -18.170 -3.139 1.00 0.17 H new ATOM 0 HG11 VAL B 55 -1.046 -17.226 -4.190 1.00 0.08 H new ATOM 0 HG12 VAL B 55 -0.082 -15.977 -3.367 1.00 0.08 H new ATOM 0 HG13 VAL B 55 -0.028 -16.118 -5.140 1.00 0.08 H new ATOM 0 HG21 VAL B 55 0.039 -19.194 -5.173 1.00 0.32 H new ATOM 0 HG22 VAL B 55 1.104 -18.176 -6.171 1.00 0.32 H new ATOM 0 HG23 VAL B 55 1.804 -19.397 -5.082 1.00 0.32 H new ATOM 2280 N PRO B 56 2.605 -16.499 -1.644 1.00 0.10 N ATOM 2281 CA PRO B 56 2.682 -15.660 -0.440 1.00 0.10 C ATOM 2282 C PRO B 56 3.853 -14.680 -0.472 1.00 0.07 C ATOM 2283 O PRO B 56 3.727 -13.542 -0.019 1.00 0.14 O ATOM 2284 CB PRO B 56 2.854 -16.660 0.709 1.00 0.14 C ATOM 2285 CG PRO B 56 3.258 -17.941 0.067 1.00 0.15 C ATOM 2286 CD PRO B 56 2.642 -17.934 -1.303 1.00 0.14 C ATOM 0 HA PRO B 56 1.794 -15.035 -0.343 1.00 0.10 H new ATOM 0 HB2 PRO B 56 3.611 -16.319 1.415 1.00 0.14 H new ATOM 0 HB3 PRO B 56 1.926 -16.777 1.269 1.00 0.14 H new ATOM 0 HG2 PRO B 56 4.343 -18.021 0.006 1.00 0.15 H new ATOM 0 HG3 PRO B 56 2.908 -18.795 0.647 1.00 0.15 H new ATOM 0 HD2 PRO B 56 3.238 -18.503 -2.016 1.00 0.14 H new ATOM 0 HD3 PRO B 56 1.645 -18.374 -1.299 1.00 0.14 H new ATOM 2294 N LYS B 57 4.978 -15.116 -1.026 1.00 0.09 N ATOM 2295 CA LYS B 57 6.167 -14.272 -1.113 1.00 0.06 C ATOM 2296 C LYS B 57 5.979 -13.175 -2.155 1.00 0.07 C ATOM 2297 O LYS B 57 6.680 -12.164 -2.143 1.00 0.12 O ATOM 2298 CB LYS B 57 7.402 -15.112 -1.459 1.00 0.12 C ATOM 2299 CG LYS B 57 8.032 -15.817 -0.263 1.00 0.17 C ATOM 2300 CD LYS B 57 7.218 -17.025 0.175 1.00 0.47 C ATOM 2301 CE LYS B 57 8.114 -18.151 0.665 1.00 0.23 C ATOM 2302 NZ LYS B 57 7.344 -19.391 0.959 1.00 0.62 N1+ ATOM 0 H LYS B 57 5.093 -16.049 -1.422 1.00 0.09 H new ATOM 0 HA LYS B 57 6.318 -13.806 -0.139 1.00 0.06 H new ATOM 0 HB2 LYS B 57 7.123 -15.859 -2.202 1.00 0.12 H new ATOM 0 HB3 LYS B 57 8.149 -14.467 -1.921 1.00 0.12 H new ATOM 0 HG2 LYS B 57 9.043 -16.134 -0.519 1.00 0.17 H new ATOM 0 HG3 LYS B 57 8.118 -15.116 0.568 1.00 0.17 H new ATOM 0 HD2 LYS B 57 6.531 -16.734 0.969 1.00 0.47 H new ATOM 0 HD3 LYS B 57 6.611 -17.378 -0.659 1.00 0.47 H new ATOM 0 HE2 LYS B 57 8.872 -18.365 -0.089 1.00 0.23 H new ATOM 0 HE3 LYS B 57 8.641 -17.830 1.564 1.00 0.23 H new ATOM 0 HZ1 LYS B 57 7.952 -20.221 0.809 1.00 0.62 H new ATOM 0 HZ2 LYS B 57 7.021 -19.373 1.947 1.00 0.62 H new ATOM 0 HZ3 LYS B 57 6.520 -19.446 0.326 1.00 0.62 H new ATOM 2316 N LEU B 58 5.030 -13.386 -3.053 1.00 0.07 N ATOM 2317 CA LEU B 58 4.738 -12.425 -4.105 1.00 0.11 C ATOM 2318 C LEU B 58 3.724 -11.393 -3.623 1.00 0.11 C ATOM 2319 O LEU B 58 3.928 -10.189 -3.773 1.00 0.14 O ATOM 2320 CB LEU B 58 4.191 -13.152 -5.333 1.00 0.14 C ATOM 2321 CG LEU B 58 4.255 -12.369 -6.641 1.00 0.16 C ATOM 2322 CD1 LEU B 58 5.540 -12.691 -7.385 1.00 0.17 C ATOM 2323 CD2 LEU B 58 3.042 -12.686 -7.495 1.00 0.27 C ATOM 0 H LEU B 58 4.445 -14.221 -3.074 1.00 0.07 H new ATOM 0 HA LEU B 58 5.661 -11.909 -4.370 1.00 0.11 H new ATOM 0 HB2 LEU B 58 4.744 -14.083 -5.459 1.00 0.14 H new ATOM 0 HB3 LEU B 58 3.152 -13.422 -5.142 1.00 0.14 H new ATOM 0 HG LEU B 58 4.250 -11.302 -6.418 1.00 0.16 H new ATOM 0 HD11 LEU B 58 5.573 -12.126 -8.316 1.00 0.17 H new ATOM 0 HD12 LEU B 58 6.396 -12.421 -6.766 1.00 0.17 H new ATOM 0 HD13 LEU B 58 5.575 -13.758 -7.607 1.00 0.17 H new ATOM 0 HD21 LEU B 58 3.096 -12.123 -8.427 1.00 0.27 H new ATOM 0 HD22 LEU B 58 3.022 -13.753 -7.717 1.00 0.27 H new ATOM 0 HD23 LEU B 58 2.136 -12.410 -6.956 1.00 0.27 H new ATOM 2335 N ALA B 59 2.646 -11.880 -3.019 1.00 0.08 N ATOM 2336 CA ALA B 59 1.579 -11.019 -2.520 1.00 0.09 C ATOM 2337 C ALA B 59 2.084 -10.040 -1.458 1.00 0.14 C ATOM 2338 O ALA B 59 1.632 -8.895 -1.393 1.00 0.31 O ATOM 2339 CB ALA B 59 0.442 -11.864 -1.970 1.00 0.07 C ATOM 0 H ALA B 59 2.487 -12.875 -2.862 1.00 0.08 H new ATOM 0 HA ALA B 59 1.212 -10.425 -3.357 1.00 0.09 H new ATOM 0 HB1 ALA B 59 -0.350 -11.212 -1.600 1.00 0.07 H new ATOM 0 HB2 ALA B 59 0.047 -12.502 -2.761 1.00 0.07 H new ATOM 0 HB3 ALA B 59 0.812 -12.485 -1.154 1.00 0.07 H new ATOM 2345 N VAL B 60 3.014 -10.490 -0.623 1.00 0.02 N ATOM 2346 CA VAL B 60 3.567 -9.633 0.422 1.00 0.05 C ATOM 2347 C VAL B 60 4.538 -8.614 -0.176 1.00 0.08 C ATOM 2348 O VAL B 60 4.716 -7.514 0.356 1.00 0.12 O ATOM 2349 CB VAL B 60 4.281 -10.454 1.526 1.00 0.07 C ATOM 2350 CG1 VAL B 60 5.551 -11.104 1.002 1.00 0.07 C ATOM 2351 CG2 VAL B 60 4.589 -9.580 2.732 1.00 0.13 C ATOM 0 H VAL B 60 3.399 -11.434 -0.647 1.00 0.02 H new ATOM 0 HA VAL B 60 2.730 -9.107 0.882 1.00 0.05 H new ATOM 0 HB VAL B 60 3.603 -11.249 1.836 1.00 0.07 H new ATOM 0 HG11 VAL B 60 6.026 -11.672 1.802 1.00 0.07 H new ATOM 0 HG12 VAL B 60 5.304 -11.774 0.179 1.00 0.07 H new ATOM 0 HG13 VAL B 60 6.235 -10.333 0.649 1.00 0.07 H new ATOM 0 HG21 VAL B 60 5.090 -10.176 3.495 1.00 0.13 H new ATOM 0 HG22 VAL B 60 5.238 -8.758 2.429 1.00 0.13 H new ATOM 0 HG23 VAL B 60 3.660 -9.179 3.137 1.00 0.13 H new ATOM 2361 N LEU B 61 5.136 -8.975 -1.305 1.00 0.08 N ATOM 2362 CA LEU B 61 6.084 -8.102 -1.978 1.00 0.11 C ATOM 2363 C LEU B 61 5.362 -6.884 -2.536 1.00 0.11 C ATOM 2364 O LEU B 61 5.885 -5.769 -2.505 1.00 0.13 O ATOM 2365 CB LEU B 61 6.805 -8.862 -3.095 1.00 0.13 C ATOM 2366 CG LEU B 61 8.100 -8.221 -3.609 1.00 0.17 C ATOM 2367 CD1 LEU B 61 9.125 -8.096 -2.493 1.00 0.17 C ATOM 2368 CD2 LEU B 61 8.670 -9.039 -4.757 1.00 0.17 C ATOM 0 H LEU B 61 4.980 -9.868 -1.773 1.00 0.08 H new ATOM 0 HA LEU B 61 6.830 -7.765 -1.258 1.00 0.11 H new ATOM 0 HB2 LEU B 61 7.036 -9.865 -2.736 1.00 0.13 H new ATOM 0 HB3 LEU B 61 6.119 -8.974 -3.935 1.00 0.13 H new ATOM 0 HG LEU B 61 7.865 -7.219 -3.969 1.00 0.17 H new ATOM 0 HD11 LEU B 61 10.034 -7.639 -2.883 1.00 0.17 H new ATOM 0 HD12 LEU B 61 8.720 -7.474 -1.695 1.00 0.17 H new ATOM 0 HD13 LEU B 61 9.357 -9.086 -2.100 1.00 0.17 H new ATOM 0 HD21 LEU B 61 9.589 -8.574 -5.114 1.00 0.17 H new ATOM 0 HD22 LEU B 61 8.885 -10.050 -4.412 1.00 0.17 H new ATOM 0 HD23 LEU B 61 7.945 -9.080 -5.570 1.00 0.17 H new ATOM 2380 N THR B 62 4.155 -7.100 -3.036 1.00 0.10 N ATOM 2381 CA THR B 62 3.354 -6.019 -3.572 1.00 0.09 C ATOM 2382 C THR B 62 2.912 -5.084 -2.455 1.00 0.09 C ATOM 2383 O THR B 62 2.879 -3.868 -2.625 1.00 0.08 O ATOM 2384 CB THR B 62 2.108 -6.559 -4.302 1.00 0.10 C ATOM 2385 OG1 THR B 62 1.812 -7.885 -3.848 1.00 0.18 O ATOM 2386 CG2 THR B 62 2.309 -6.584 -5.804 1.00 0.12 C ATOM 0 H THR B 62 3.711 -8.017 -3.080 1.00 0.10 H new ATOM 0 HA THR B 62 3.971 -5.473 -4.285 1.00 0.09 H new ATOM 0 HB THR B 62 1.278 -5.890 -4.075 1.00 0.10 H new ATOM 0 HG1 THR B 62 1.704 -7.881 -2.874 1.00 0.18 H new ATOM 0 HG21 THR B 62 1.410 -6.970 -6.285 1.00 0.12 H new ATOM 0 HG22 THR B 62 2.506 -5.573 -6.162 1.00 0.12 H new ATOM 0 HG23 THR B 62 3.155 -7.226 -6.047 1.00 0.12 H new ATOM 2394 N ALA B 63 2.598 -5.669 -1.304 1.00 0.10 N ATOM 2395 CA ALA B 63 2.147 -4.907 -0.149 1.00 0.11 C ATOM 2396 C ALA B 63 3.196 -3.895 0.298 1.00 0.11 C ATOM 2397 O ALA B 63 2.893 -2.719 0.502 1.00 0.12 O ATOM 2398 CB ALA B 63 1.802 -5.849 0.999 1.00 0.10 C ATOM 0 H ALA B 63 2.649 -6.676 -1.148 1.00 0.10 H new ATOM 0 HA ALA B 63 1.254 -4.354 -0.441 1.00 0.11 H new ATOM 0 HB1 ALA B 63 1.466 -5.268 1.858 1.00 0.10 H new ATOM 0 HB2 ALA B 63 1.008 -6.528 0.687 1.00 0.10 H new ATOM 0 HB3 ALA B 63 2.685 -6.426 1.274 1.00 0.10 H new ATOM 2404 N VAL B 64 4.434 -4.351 0.434 1.00 0.09 N ATOM 2405 CA VAL B 64 5.516 -3.477 0.862 1.00 0.10 C ATOM 2406 C VAL B 64 5.893 -2.479 -0.237 1.00 0.12 C ATOM 2407 O VAL B 64 6.356 -1.372 0.053 1.00 0.12 O ATOM 2408 CB VAL B 64 6.753 -4.287 1.322 1.00 0.10 C ATOM 2409 CG1 VAL B 64 7.472 -4.934 0.146 1.00 0.12 C ATOM 2410 CG2 VAL B 64 7.702 -3.410 2.121 1.00 0.11 C ATOM 0 H VAL B 64 4.712 -5.316 0.255 1.00 0.09 H new ATOM 0 HA VAL B 64 5.154 -2.910 1.720 1.00 0.10 H new ATOM 0 HB VAL B 64 6.399 -5.090 1.968 1.00 0.10 H new ATOM 0 HG11 VAL B 64 8.334 -5.493 0.510 1.00 0.12 H new ATOM 0 HG12 VAL B 64 6.791 -5.612 -0.369 1.00 0.12 H new ATOM 0 HG13 VAL B 64 7.807 -4.161 -0.546 1.00 0.12 H new ATOM 0 HG21 VAL B 64 8.564 -3.998 2.435 1.00 0.11 H new ATOM 0 HG22 VAL B 64 8.037 -2.578 1.502 1.00 0.11 H new ATOM 0 HG23 VAL B 64 7.187 -3.024 3.001 1.00 0.11 H new ATOM 2420 N GLN B 65 5.676 -2.861 -1.493 1.00 0.15 N ATOM 2421 CA GLN B 65 5.987 -1.986 -2.617 1.00 0.19 C ATOM 2422 C GLN B 65 4.985 -0.836 -2.684 1.00 0.13 C ATOM 2423 O GLN B 65 5.367 0.326 -2.797 1.00 0.16 O ATOM 2424 CB GLN B 65 5.978 -2.764 -3.936 1.00 0.34 C ATOM 2425 CG GLN B 65 6.604 -1.994 -5.096 1.00 0.57 C ATOM 2426 CD GLN B 65 6.058 -2.422 -6.445 1.00 0.79 C ATOM 2427 OE1 GLN B 65 4.900 -2.825 -6.560 1.00 0.98 O ATOM 2428 NE2 GLN B 65 6.884 -2.340 -7.475 1.00 0.80 N ATOM 0 H GLN B 65 5.288 -3.767 -1.756 1.00 0.15 H new ATOM 0 HA GLN B 65 6.987 -1.581 -2.464 1.00 0.19 H new ATOM 0 HB2 GLN B 65 6.516 -3.702 -3.800 1.00 0.34 H new ATOM 0 HB3 GLN B 65 4.950 -3.020 -4.192 1.00 0.34 H new ATOM 0 HG2 GLN B 65 6.425 -0.928 -4.958 1.00 0.57 H new ATOM 0 HG3 GLN B 65 7.684 -2.140 -5.083 1.00 0.57 H new ATOM 0 HE21 GLN B 65 7.836 -2.001 -7.339 1.00 0.80 H new ATOM 0 HE22 GLN B 65 6.569 -2.616 -8.405 1.00 0.80 H new ATOM 2437 N ILE B 66 3.699 -1.167 -2.603 1.00 0.15 N ATOM 2438 CA ILE B 66 2.649 -0.155 -2.644 1.00 0.16 C ATOM 2439 C ILE B 66 2.802 0.814 -1.477 1.00 0.11 C ATOM 2440 O ILE B 66 2.623 2.023 -1.626 1.00 0.27 O ATOM 2441 CB ILE B 66 1.242 -0.794 -2.601 1.00 0.27 C ATOM 2442 CG1 ILE B 66 1.026 -1.681 -3.830 1.00 0.64 C ATOM 2443 CG2 ILE B 66 0.168 0.284 -2.520 1.00 0.89 C ATOM 2444 CD1 ILE B 66 -0.103 -2.679 -3.675 1.00 1.38 C ATOM 0 H ILE B 66 3.360 -2.125 -2.509 1.00 0.15 H new ATOM 0 HA ILE B 66 2.752 0.385 -3.585 1.00 0.16 H new ATOM 0 HB ILE B 66 1.168 -1.415 -1.709 1.00 0.27 H new ATOM 0 HG12 ILE B 66 0.821 -1.047 -4.692 1.00 0.64 H new ATOM 0 HG13 ILE B 66 1.949 -2.221 -4.043 1.00 0.64 H new ATOM 0 HG21 ILE B 66 -0.816 -0.184 -2.491 1.00 0.89 H new ATOM 0 HG22 ILE B 66 0.315 0.877 -1.617 1.00 0.89 H new ATOM 0 HG23 ILE B 66 0.236 0.931 -3.394 1.00 0.89 H new ATOM 0 HD11 ILE B 66 -0.194 -3.270 -4.586 1.00 1.38 H new ATOM 0 HD12 ILE B 66 0.108 -3.339 -2.834 1.00 1.38 H new ATOM 0 HD13 ILE B 66 -1.037 -2.147 -3.493 1.00 1.38 H new ATOM 2456 N ALA B 67 3.153 0.268 -0.318 1.00 0.16 N ATOM 2457 CA ALA B 67 3.339 1.067 0.881 1.00 0.13 C ATOM 2458 C ALA B 67 4.428 2.116 0.683 1.00 0.06 C ATOM 2459 O ALA B 67 4.243 3.276 1.025 1.00 0.09 O ATOM 2460 CB ALA B 67 3.675 0.171 2.065 1.00 0.16 C ATOM 0 H ALA B 67 3.314 -0.730 -0.186 1.00 0.16 H new ATOM 0 HA ALA B 67 2.404 1.589 1.086 1.00 0.13 H new ATOM 0 HB1 ALA B 67 3.812 0.783 2.957 1.00 0.16 H new ATOM 0 HB2 ALA B 67 2.861 -0.534 2.230 1.00 0.16 H new ATOM 0 HB3 ALA B 67 4.594 -0.378 1.857 1.00 0.16 H new ATOM 2466 N SER B 68 5.551 1.711 0.101 1.00 0.08 N ATOM 2467 CA SER B 68 6.664 2.628 -0.121 1.00 0.06 C ATOM 2468 C SER B 68 6.342 3.622 -1.238 1.00 0.16 C ATOM 2469 O SER B 68 6.707 4.799 -1.159 1.00 0.21 O ATOM 2470 CB SER B 68 7.941 1.843 -0.441 1.00 0.06 C ATOM 2471 OG SER B 68 7.653 0.666 -1.176 1.00 0.28 O ATOM 0 H SER B 68 5.715 0.758 -0.225 1.00 0.08 H new ATOM 0 HA SER B 68 6.827 3.198 0.794 1.00 0.06 H new ATOM 0 HB2 SER B 68 8.624 2.473 -1.012 1.00 0.06 H new ATOM 0 HB3 SER B 68 8.450 1.580 0.486 1.00 0.06 H new ATOM 0 HG SER B 68 6.901 0.834 -1.781 1.00 0.28 H new ATOM 2477 N GLU B 69 5.639 3.150 -2.265 1.00 0.26 N ATOM 2478 CA GLU B 69 5.261 3.994 -3.394 1.00 0.35 C ATOM 2479 C GLU B 69 4.336 5.128 -2.947 1.00 0.24 C ATOM 2480 O GLU B 69 4.388 6.233 -3.488 1.00 0.18 O ATOM 2481 CB GLU B 69 4.567 3.167 -4.486 1.00 0.52 C ATOM 2482 CG GLU B 69 5.506 2.264 -5.274 1.00 0.44 C ATOM 2483 CD GLU B 69 5.029 2.025 -6.695 1.00 1.20 C ATOM 2484 OE1 GLU B 69 5.232 2.912 -7.550 1.00 1.60 O1- ATOM 2485 OE2 GLU B 69 4.442 0.954 -6.966 1.00 1.71 O ATOM 0 H GLU B 69 5.319 2.184 -2.338 1.00 0.26 H new ATOM 0 HA GLU B 69 6.176 4.425 -3.801 1.00 0.35 H new ATOM 0 HB2 GLU B 69 3.793 2.554 -4.025 1.00 0.52 H new ATOM 0 HB3 GLU B 69 4.067 3.845 -5.178 1.00 0.52 H new ATOM 0 HG2 GLU B 69 6.499 2.712 -5.299 1.00 0.44 H new ATOM 0 HG3 GLU B 69 5.600 1.307 -4.760 1.00 0.44 H new ATOM 2492 N TYR B 70 3.497 4.856 -1.957 1.00 0.23 N ATOM 2493 CA TYR B 70 2.557 5.855 -1.462 1.00 0.15 C ATOM 2494 C TYR B 70 3.089 6.607 -0.241 1.00 0.08 C ATOM 2495 O TYR B 70 2.684 7.741 0.017 1.00 0.12 O ATOM 2496 CB TYR B 70 1.220 5.190 -1.124 1.00 0.24 C ATOM 2497 CG TYR B 70 0.343 4.935 -2.330 1.00 0.32 C ATOM 2498 CD1 TYR B 70 0.704 3.996 -3.286 1.00 0.75 C ATOM 2499 CD2 TYR B 70 -0.842 5.634 -2.511 1.00 0.57 C ATOM 2500 CE1 TYR B 70 -0.090 3.763 -4.392 1.00 0.85 C ATOM 2501 CE2 TYR B 70 -1.641 5.407 -3.616 1.00 0.56 C ATOM 2502 CZ TYR B 70 -1.260 4.470 -4.551 1.00 0.50 C ATOM 2503 OH TYR B 70 -2.051 4.242 -5.654 1.00 0.59 O ATOM 0 H TYR B 70 3.447 3.955 -1.481 1.00 0.23 H new ATOM 0 HA TYR B 70 2.418 6.589 -2.256 1.00 0.15 H new ATOM 0 HB2 TYR B 70 1.413 4.243 -0.620 1.00 0.24 H new ATOM 0 HB3 TYR B 70 0.679 5.821 -0.420 1.00 0.24 H new ATOM 0 HD1 TYR B 70 1.621 3.438 -3.163 1.00 0.75 H new ATOM 0 HD2 TYR B 70 -1.145 6.367 -1.777 1.00 0.57 H new ATOM 0 HE1 TYR B 70 0.206 3.030 -5.128 1.00 0.85 H new ATOM 0 HE2 TYR B 70 -2.559 5.961 -3.745 1.00 0.56 H new ATOM 0 HH TYR B 70 -1.756 3.423 -6.105 1.00 0.59 H new ATOM 2513 N LEU B 71 3.994 5.991 0.505 1.00 0.09 N ATOM 2514 CA LEU B 71 4.546 6.623 1.699 1.00 0.17 C ATOM 2515 C LEU B 71 5.327 7.883 1.343 1.00 0.22 C ATOM 2516 O LEU B 71 5.254 8.887 2.051 1.00 0.26 O ATOM 2517 CB LEU B 71 5.443 5.651 2.467 1.00 0.24 C ATOM 2518 CG LEU B 71 5.903 6.136 3.857 1.00 0.27 C ATOM 2519 CD1 LEU B 71 4.728 6.278 4.820 1.00 0.32 C ATOM 2520 CD2 LEU B 71 6.953 5.203 4.448 1.00 0.32 C ATOM 0 H LEU B 71 4.361 5.060 0.308 1.00 0.09 H new ATOM 0 HA LEU B 71 3.709 6.904 2.338 1.00 0.17 H new ATOM 0 HB2 LEU B 71 4.909 4.708 2.588 1.00 0.24 H new ATOM 0 HB3 LEU B 71 6.326 5.443 1.863 1.00 0.24 H new ATOM 0 HG LEU B 71 6.351 7.120 3.718 1.00 0.27 H new ATOM 0 HD11 LEU B 71 5.091 6.621 5.789 1.00 0.32 H new ATOM 0 HD12 LEU B 71 4.017 7.001 4.422 1.00 0.32 H new ATOM 0 HD13 LEU B 71 4.236 5.313 4.938 1.00 0.32 H new ATOM 0 HD21 LEU B 71 7.257 5.572 5.428 1.00 0.32 H new ATOM 0 HD22 LEU B 71 6.534 4.202 4.551 1.00 0.32 H new ATOM 0 HD23 LEU B 71 7.820 5.167 3.789 1.00 0.32 H new ATOM 2532 N LYS B 72 6.062 7.837 0.237 1.00 0.23 N ATOM 2533 CA LYS B 72 6.846 8.991 -0.197 1.00 0.27 C ATOM 2534 C LYS B 72 5.938 10.158 -0.598 1.00 0.24 C ATOM 2535 O LYS B 72 6.385 11.301 -0.687 1.00 0.29 O ATOM 2536 CB LYS B 72 7.774 8.616 -1.357 1.00 0.31 C ATOM 2537 CG LYS B 72 7.050 8.094 -2.587 1.00 0.38 C ATOM 2538 CD LYS B 72 7.926 8.184 -3.830 1.00 0.40 C ATOM 2539 CE LYS B 72 9.096 7.210 -3.776 1.00 0.52 C ATOM 2540 NZ LYS B 72 8.826 5.971 -4.553 1.00 0.58 N1+ ATOM 0 H LYS B 72 6.132 7.021 -0.372 1.00 0.23 H new ATOM 0 HA LYS B 72 7.458 9.310 0.647 1.00 0.27 H new ATOM 0 HB2 LYS B 72 8.359 9.492 -1.637 1.00 0.31 H new ATOM 0 HB3 LYS B 72 8.478 7.858 -1.014 1.00 0.31 H new ATOM 0 HG2 LYS B 72 6.754 7.058 -2.424 1.00 0.38 H new ATOM 0 HG3 LYS B 72 6.136 8.666 -2.743 1.00 0.38 H new ATOM 0 HD2 LYS B 72 7.323 7.977 -4.714 1.00 0.40 H new ATOM 0 HD3 LYS B 72 8.305 9.201 -3.933 1.00 0.40 H new ATOM 0 HE2 LYS B 72 9.990 7.695 -4.167 1.00 0.52 H new ATOM 0 HE3 LYS B 72 9.303 6.949 -2.738 1.00 0.52 H new ATOM 0 HZ1 LYS B 72 9.474 5.219 -4.243 1.00 0.58 H new ATOM 0 HZ2 LYS B 72 7.843 5.669 -4.395 1.00 0.58 H new ATOM 0 HZ3 LYS B 72 8.972 6.158 -5.566 1.00 0.58 H new ATOM 2554 N LEU B 73 4.663 9.861 -0.825 1.00 0.17 N ATOM 2555 CA LEU B 73 3.699 10.882 -1.207 1.00 0.14 C ATOM 2556 C LEU B 73 3.215 11.633 0.031 1.00 0.11 C ATOM 2557 O LEU B 73 3.209 12.863 0.059 1.00 0.09 O ATOM 2558 CB LEU B 73 2.518 10.242 -1.962 1.00 0.13 C ATOM 2559 CG LEU B 73 1.492 11.198 -2.610 1.00 0.12 C ATOM 2560 CD1 LEU B 73 0.467 11.681 -1.592 1.00 0.08 C ATOM 2561 CD2 LEU B 73 2.173 12.386 -3.280 1.00 0.15 C ATOM 0 H LEU B 73 4.275 8.921 -0.751 1.00 0.17 H new ATOM 0 HA LEU B 73 4.181 11.597 -1.874 1.00 0.14 H new ATOM 0 HB2 LEU B 73 2.925 9.602 -2.745 1.00 0.13 H new ATOM 0 HB3 LEU B 73 1.984 9.594 -1.267 1.00 0.13 H new ATOM 0 HG LEU B 73 0.971 10.630 -3.381 1.00 0.12 H new ATOM 0 HD11 LEU B 73 -0.241 12.352 -2.079 1.00 0.08 H new ATOM 0 HD12 LEU B 73 -0.068 10.825 -1.180 1.00 0.08 H new ATOM 0 HD13 LEU B 73 0.976 12.212 -0.787 1.00 0.08 H new ATOM 0 HD21 LEU B 73 1.418 13.035 -3.724 1.00 0.15 H new ATOM 0 HD22 LEU B 73 2.742 12.946 -2.537 1.00 0.15 H new ATOM 0 HD23 LEU B 73 2.847 12.028 -4.058 1.00 0.15 H new ATOM 2573 N LYS B 74 2.829 10.896 1.069 1.00 0.11 N ATOM 2574 CA LYS B 74 2.349 11.527 2.293 1.00 0.10 C ATOM 2575 C LYS B 74 3.489 12.253 3.003 1.00 0.13 C ATOM 2576 O LYS B 74 3.261 13.170 3.793 1.00 0.13 O ATOM 2577 CB LYS B 74 1.696 10.503 3.228 1.00 0.12 C ATOM 2578 CG LYS B 74 2.673 9.530 3.873 1.00 0.20 C ATOM 2579 CD LYS B 74 2.393 9.356 5.361 1.00 0.28 C ATOM 2580 CE LYS B 74 1.076 8.629 5.612 1.00 0.32 C ATOM 2581 NZ LYS B 74 0.575 8.818 7.003 1.00 0.43 N1+ ATOM 0 H LYS B 74 2.839 9.876 1.088 1.00 0.11 H new ATOM 0 HA LYS B 74 1.589 12.258 2.017 1.00 0.10 H new ATOM 0 HB2 LYS B 74 1.160 11.036 4.014 1.00 0.12 H new ATOM 0 HB3 LYS B 74 0.955 9.936 2.665 1.00 0.12 H new ATOM 0 HG2 LYS B 74 2.607 8.563 3.374 1.00 0.20 H new ATOM 0 HG3 LYS B 74 3.692 9.891 3.734 1.00 0.20 H new ATOM 0 HD2 LYS B 74 3.209 8.798 5.821 1.00 0.28 H new ATOM 0 HD3 LYS B 74 2.365 10.334 5.842 1.00 0.28 H new ATOM 0 HE2 LYS B 74 0.326 8.989 4.907 1.00 0.32 H new ATOM 0 HE3 LYS B 74 1.210 7.565 5.419 1.00 0.32 H new ATOM 0 HZ1 LYS B 74 -0.322 8.304 7.122 1.00 0.43 H new ATOM 0 HZ2 LYS B 74 1.276 8.451 7.677 1.00 0.43 H new ATOM 0 HZ3 LYS B 74 0.420 9.831 7.182 1.00 0.43 H new ATOM 2595 N GLU B 75 4.715 11.841 2.703 1.00 0.17 N ATOM 2596 CA GLU B 75 5.892 12.450 3.294 1.00 0.20 C ATOM 2597 C GLU B 75 6.075 13.869 2.764 1.00 0.16 C ATOM 2598 O GLU B 75 6.211 14.816 3.537 1.00 0.20 O ATOM 2599 CB GLU B 75 7.135 11.608 2.999 1.00 0.27 C ATOM 2600 CG GLU B 75 8.345 11.995 3.836 1.00 0.36 C ATOM 2601 CD GLU B 75 8.038 12.039 5.317 1.00 0.45 C ATOM 2602 OE1 GLU B 75 7.854 10.967 5.928 1.00 0.44 O1- ATOM 2603 OE2 GLU B 75 7.981 13.148 5.881 1.00 0.55 O ATOM 0 H GLU B 75 4.916 11.084 2.050 1.00 0.17 H new ATOM 0 HA GLU B 75 5.754 12.496 4.374 1.00 0.20 H new ATOM 0 HB2 GLU B 75 6.903 10.558 3.175 1.00 0.27 H new ATOM 0 HB3 GLU B 75 7.388 11.706 1.943 1.00 0.27 H new ATOM 0 HG2 GLU B 75 9.149 11.282 3.657 1.00 0.36 H new ATOM 0 HG3 GLU B 75 8.707 12.972 3.515 1.00 0.36 H new ATOM 2610 N GLU B 76 6.038 14.015 1.442 1.00 0.13 N ATOM 2611 CA GLU B 76 6.204 15.326 0.821 1.00 0.11 C ATOM 2612 C GLU B 76 5.001 16.220 1.110 1.00 0.08 C ATOM 2613 O GLU B 76 5.121 17.447 1.149 1.00 0.08 O ATOM 2614 CB GLU B 76 6.429 15.198 -0.694 1.00 0.17 C ATOM 2615 CG GLU B 76 5.230 14.666 -1.471 1.00 0.18 C ATOM 2616 CD GLU B 76 5.472 14.639 -2.968 1.00 0.21 C ATOM 2617 OE1 GLU B 76 6.394 13.923 -3.416 1.00 0.20 O ATOM 2618 OE2 GLU B 76 4.740 15.328 -3.708 1.00 0.34 O1- ATOM 0 H GLU B 76 5.896 13.248 0.785 1.00 0.13 H new ATOM 0 HA GLU B 76 7.089 15.790 1.256 1.00 0.11 H new ATOM 0 HB2 GLU B 76 6.698 16.176 -1.092 1.00 0.17 H new ATOM 0 HB3 GLU B 76 7.279 14.538 -0.867 1.00 0.17 H new ATOM 0 HG2 GLU B 76 4.996 13.659 -1.126 1.00 0.18 H new ATOM 0 HG3 GLU B 76 4.359 15.286 -1.258 1.00 0.18 H new ATOM 2625 N TYR B 77 3.846 15.597 1.323 1.00 0.07 N ATOM 2626 CA TYR B 77 2.615 16.320 1.619 1.00 0.11 C ATOM 2627 C TYR B 77 2.774 17.186 2.865 1.00 0.13 C ATOM 2628 O TYR B 77 2.403 18.359 2.872 1.00 0.22 O ATOM 2629 CB TYR B 77 1.456 15.332 1.805 1.00 0.13 C ATOM 2630 CG TYR B 77 0.150 15.975 2.229 1.00 0.15 C ATOM 2631 CD1 TYR B 77 -0.303 17.138 1.620 1.00 0.12 C ATOM 2632 CD2 TYR B 77 -0.628 15.415 3.232 1.00 0.22 C ATOM 2633 CE1 TYR B 77 -1.494 17.726 1.999 1.00 0.14 C ATOM 2634 CE2 TYR B 77 -1.822 15.993 3.617 1.00 0.25 C ATOM 2635 CZ TYR B 77 -2.251 17.148 2.998 1.00 0.20 C ATOM 2636 OH TYR B 77 -3.437 17.729 3.384 1.00 0.23 O ATOM 0 H TYR B 77 3.738 14.583 1.295 1.00 0.07 H new ATOM 0 HA TYR B 77 2.394 16.976 0.777 1.00 0.11 H new ATOM 0 HB2 TYR B 77 1.297 14.796 0.869 1.00 0.13 H new ATOM 0 HB3 TYR B 77 1.742 14.591 2.552 1.00 0.13 H new ATOM 0 HD1 TYR B 77 0.286 17.591 0.836 1.00 0.12 H new ATOM 0 HD2 TYR B 77 -0.294 14.511 3.720 1.00 0.22 H new ATOM 0 HE1 TYR B 77 -1.831 18.632 1.517 1.00 0.14 H new ATOM 0 HE2 TYR B 77 -2.416 15.543 4.398 1.00 0.25 H new ATOM 0 HH TYR B 77 -3.846 17.196 4.097 1.00 0.23 H new ATOM 2646 N GLN B 78 3.367 16.616 3.898 1.00 0.22 N ATOM 2647 CA GLN B 78 3.559 17.328 5.154 1.00 0.30 C ATOM 2648 C GLN B 78 4.763 18.265 5.106 1.00 0.37 C ATOM 2649 O GLN B 78 5.080 18.923 6.095 1.00 0.84 O ATOM 2650 CB GLN B 78 3.720 16.337 6.306 1.00 0.28 C ATOM 2651 CG GLN B 78 2.403 15.738 6.779 1.00 0.17 C ATOM 2652 CD GLN B 78 1.429 16.787 7.280 1.00 0.26 C ATOM 2653 OE1 GLN B 78 1.828 17.845 7.768 1.00 0.53 O ATOM 2654 NE2 GLN B 78 0.140 16.503 7.167 1.00 0.24 N ATOM 0 H GLN B 78 3.725 15.661 3.895 1.00 0.22 H new ATOM 0 HA GLN B 78 2.671 17.938 5.317 1.00 0.30 H new ATOM 0 HB2 GLN B 78 4.384 15.532 5.992 1.00 0.28 H new ATOM 0 HB3 GLN B 78 4.203 16.841 7.144 1.00 0.28 H new ATOM 0 HG2 GLN B 78 1.945 15.185 5.959 1.00 0.17 H new ATOM 0 HG3 GLN B 78 2.600 15.021 7.576 1.00 0.17 H new ATOM 0 HE21 GLN B 78 -0.153 15.616 6.757 1.00 0.24 H new ATOM 0 HE22 GLN B 78 -0.560 17.171 7.490 1.00 0.24 H new ATOM 2663 N ARG B 79 5.422 18.339 3.958 1.00 0.28 N ATOM 2664 CA ARG B 79 6.589 19.202 3.813 1.00 0.30 C ATOM 2665 C ARG B 79 6.204 20.544 3.203 1.00 0.27 C ATOM 2666 O ARG B 79 6.480 21.597 3.775 1.00 0.23 O ATOM 2667 CB ARG B 79 7.659 18.521 2.957 1.00 0.34 C ATOM 2668 CG ARG B 79 8.119 17.185 3.515 1.00 0.63 C ATOM 2669 CD ARG B 79 8.698 17.335 4.913 1.00 0.85 C ATOM 2670 NE ARG B 79 8.825 16.054 5.603 1.00 1.45 N ATOM 2671 CZ ARG B 79 9.464 15.897 6.757 1.00 1.28 C ATOM 2672 NH1 ARG B 79 10.010 16.943 7.366 1.00 0.73 N1+ ATOM 2673 NH2 ARG B 79 9.541 14.698 7.310 1.00 2.05 N ATOM 0 H ARG B 79 5.172 17.817 3.118 1.00 0.28 H new ATOM 0 HA ARG B 79 6.998 19.382 4.807 1.00 0.30 H new ATOM 0 HB2 ARG B 79 7.267 18.371 1.951 1.00 0.34 H new ATOM 0 HB3 ARG B 79 8.519 19.185 2.868 1.00 0.34 H new ATOM 0 HG2 ARG B 79 7.279 16.491 3.541 1.00 0.63 H new ATOM 0 HG3 ARG B 79 8.870 16.752 2.854 1.00 0.63 H new ATOM 0 HD2 ARG B 79 9.678 17.809 4.849 1.00 0.85 H new ATOM 0 HD3 ARG B 79 8.061 17.998 5.498 1.00 0.85 H new ATOM 0 HE ARG B 79 8.399 15.233 5.174 1.00 1.45 H new ATOM 0 HH11 ARG B 79 9.939 17.871 6.948 1.00 0.73 H new ATOM 0 HH12 ARG B 79 10.500 16.819 8.252 1.00 0.73 H new ATOM 0 HH21 ARG B 79 9.110 13.896 6.850 1.00 2.05 H new ATOM 0 HH22 ARG B 79 10.031 14.576 8.196 1.00 2.05 H new ATOM 2687 N LEU B 80 5.528 20.506 2.059 1.00 0.30 N ATOM 2688 CA LEU B 80 5.122 21.733 1.371 1.00 0.28 C ATOM 2689 C LEU B 80 4.028 22.475 2.145 1.00 0.23 C ATOM 2690 O LEU B 80 3.674 23.608 1.813 1.00 0.28 O ATOM 2691 CB LEU B 80 4.639 21.425 -0.051 1.00 0.31 C ATOM 2692 CG LEU B 80 3.207 20.879 -0.155 1.00 0.48 C ATOM 2693 CD1 LEU B 80 2.393 21.665 -1.172 1.00 0.79 C ATOM 2694 CD2 LEU B 80 3.216 19.403 -0.517 1.00 0.44 C ATOM 0 H LEU B 80 5.250 19.645 1.588 1.00 0.30 H new ATOM 0 HA LEU B 80 5.998 22.379 1.316 1.00 0.28 H new ATOM 0 HB2 LEU B 80 4.707 22.336 -0.645 1.00 0.31 H new ATOM 0 HB3 LEU B 80 5.320 20.701 -0.499 1.00 0.31 H new ATOM 0 HG LEU B 80 2.738 20.994 0.822 1.00 0.48 H new ATOM 0 HD11 LEU B 80 1.384 21.256 -1.224 1.00 0.79 H new ATOM 0 HD12 LEU B 80 2.346 22.711 -0.870 1.00 0.79 H new ATOM 0 HD13 LEU B 80 2.866 21.591 -2.151 1.00 0.79 H new ATOM 0 HD21 LEU B 80 2.191 19.039 -0.585 1.00 0.44 H new ATOM 0 HD22 LEU B 80 3.714 19.267 -1.477 1.00 0.44 H new ATOM 0 HD23 LEU B 80 3.750 18.843 0.251 1.00 0.44 H new ATOM 2706 N ARG B 81 3.477 21.830 3.162 1.00 0.20 N ATOM 2707 CA ARG B 81 2.437 22.448 3.970 1.00 0.15 C ATOM 2708 C ARG B 81 3.027 23.056 5.239 1.00 0.15 C ATOM 2709 O ARG B 81 2.563 24.093 5.710 1.00 0.43 O ATOM 2710 CB ARG B 81 1.342 21.436 4.315 1.00 0.22 C ATOM 2711 CG ARG B 81 0.643 20.850 3.093 1.00 0.32 C ATOM 2712 CD ARG B 81 -0.309 21.842 2.433 1.00 0.65 C ATOM 2713 NE ARG B 81 0.387 22.994 1.851 1.00 1.05 N ATOM 2714 CZ ARG B 81 -0.100 24.237 1.855 1.00 1.70 C ATOM 2715 NH1 ARG B 81 -1.279 24.491 2.415 1.00 2.04 N1+ ATOM 2716 NH2 ARG B 81 0.588 25.226 1.297 1.00 2.12 N ATOM 0 H ARG B 81 3.731 20.884 3.446 1.00 0.20 H new ATOM 0 HA ARG B 81 1.987 23.250 3.385 1.00 0.15 H new ATOM 0 HB2 ARG B 81 1.780 20.624 4.896 1.00 0.22 H new ATOM 0 HB3 ARG B 81 0.600 21.919 4.950 1.00 0.22 H new ATOM 0 HG2 ARG B 81 1.392 20.532 2.368 1.00 0.32 H new ATOM 0 HG3 ARG B 81 0.088 19.960 3.388 1.00 0.32 H new ATOM 0 HD2 ARG B 81 -0.874 21.332 1.653 1.00 0.65 H new ATOM 0 HD3 ARG B 81 -1.030 22.193 3.171 1.00 0.65 H new ATOM 0 HE ARG B 81 1.297 22.836 1.418 1.00 1.05 H new ATOM 0 HH11 ARG B 81 -1.814 23.735 2.843 1.00 2.04 H new ATOM 0 HH12 ARG B 81 -1.649 25.442 2.417 1.00 2.04 H new ATOM 0 HH21 ARG B 81 1.492 25.037 0.863 1.00 2.12 H new ATOM 0 HH22 ARG B 81 0.213 26.174 1.302 1.00 2.12 H new