USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1196 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 19 GLN :FLIP amide:sc= -0.222 F(o=-1.1!,f=-0.34) USER MOD Set 1.2: B 21 TYR OH : rot 60:sc= -0.115 USER MOD Set 2.1: B 17 TYR OH : rot 33:sc= 0.421 USER MOD Set 2.2: B 47 SER OG : rot 38:sc= 1.66 USER MOD Set 3.1: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 78 GLN : amide:sc= -0.17 K(o=-0.17,f=-0.79) USER MOD Set 4.1: A 17 TYR OH : rot 42:sc= 0.24 USER MOD Set 4.2: A 47 SER OG : rot 50:sc= 1.49 USER MOD Single : A 10 THR OG1 : rot 32:sc= 0.515 USER MOD Single : A 13 SER OG : rot 180:sc= 0.0175 USER MOD Single : A 19 GLN : amide:sc= 0.263 X(o=0.26,f=-0.006) USER MOD Single : A 21 TYR OH : rot -150:sc= -0.28 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 47:sc= 0.858 USER MOD Single : A 31 HIS : no HE2:sc= 0.0384 K(o=0.062,f=-6.5!) USER MOD Single : A 42 LYS NZ :NH3+ -156:sc= 1.21 (180deg=0.67) USER MOD Single : A 43 MET CE :methyl 161:sc= -0.0624 (180deg=-0.509) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.427 K(o=-0.43,f=-1.7) USER MOD Single : A 52 MET CE :methyl -127:sc= -0.0221 (180deg=-1.5) USER MOD Single : A 57 LYS NZ :NH3+ -141:sc= 1.21 (180deg=0.676) USER MOD Single : A 62 THR OG1 : rot 56:sc= 1.1 USER MOD Single : A 65 GLN :FLIP amide:sc= 0.151 F(o=-0.51,f=0.15) USER MOD Single : A 68 SER OG : rot 46:sc= 1.08 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 147:sc= 1.17 USER MOD Single : B 10 THR OG1 : rot 180:sc= 0.163 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 38:sc= 0.983 USER MOD Single : B 31 HIS : +bothHN:sc= 0.814 K(o=0.81,f=-7.8!) USER MOD Single : B 42 LYS NZ :NH3+ -104:sc= 1.15 (180deg=-1.42) USER MOD Single : B 43 MET CE :methyl 155:sc= -0.184 (180deg=-0.985) USER MOD Single : B 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : B 52 MET CE :methyl -123:sc= -0.0655 (180deg=-2.89!) USER MOD Single : B 57 LYS NZ :NH3+ -151:sc= 1.22 (180deg=-0.184) USER MOD Single : B 62 THR OG1 : rot 65:sc= 1.24 USER MOD Single : B 65 GLN : amide:sc= 0.106 X(o=0.11,f=0.07) USER MOD Single : B 68 SER OG : rot 24:sc= 0.469 USER MOD Single : B 70 TYR OH : rot 147:sc= 0.0488 USER MOD Single : B 72 LYS NZ :NH3+ -166:sc= -0.0139 (180deg=-0.179) 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= -0.0967 X(o=-0.097,f=-0.08) USER MOD ----------------------------------------------------------------- ATOM 138 N THR A 10 17.751 2.967 -5.338 1.00 0.30 N ATOM 139 CA THR A 10 18.460 1.703 -5.370 1.00 0.36 C ATOM 140 C THR A 10 17.608 0.591 -4.756 1.00 0.30 C ATOM 141 O THR A 10 16.402 0.757 -4.557 1.00 0.27 O ATOM 142 CB THR A 10 19.822 1.819 -4.636 1.00 0.49 C ATOM 143 OG1 THR A 10 20.605 0.631 -4.836 1.00 0.62 O ATOM 144 CG2 THR A 10 19.628 2.062 -3.142 1.00 0.60 C ATOM 0 HA THR A 10 18.655 1.448 -6.412 1.00 0.36 H new ATOM 0 HB THR A 10 20.351 2.673 -5.058 1.00 0.49 H new ATOM 0 HG1 THR A 10 20.407 0.253 -5.718 1.00 0.62 H new ATOM 0 HG21 THR A 10 20.601 2.139 -2.656 1.00 0.60 H new ATOM 0 HG22 THR A 10 19.074 2.989 -2.993 1.00 0.60 H new ATOM 0 HG23 THR A 10 19.070 1.232 -2.708 1.00 0.60 H new ATOM 152 N ARG A 11 18.238 -0.533 -4.461 1.00 0.30 N ATOM 153 CA ARG A 11 17.547 -1.677 -3.885 1.00 0.26 C ATOM 154 C ARG A 11 17.964 -1.877 -2.432 1.00 0.21 C ATOM 155 O ARG A 11 19.144 -1.789 -2.095 1.00 0.22 O ATOM 156 CB ARG A 11 17.817 -2.949 -4.706 1.00 0.32 C ATOM 157 CG ARG A 11 19.292 -3.309 -4.857 1.00 0.40 C ATOM 158 CD ARG A 11 19.490 -4.481 -5.809 1.00 0.55 C ATOM 159 NE ARG A 11 19.589 -5.760 -5.108 1.00 0.68 N ATOM 160 CZ ARG A 11 18.959 -6.875 -5.488 1.00 1.07 C ATOM 161 NH1 ARG A 11 18.165 -6.874 -6.556 1.00 1.36 N1+ ATOM 162 NH2 ARG A 11 19.124 -7.993 -4.796 1.00 1.17 N ATOM 0 H ARG A 11 19.236 -0.680 -4.612 1.00 0.30 H new ATOM 0 HA ARG A 11 16.476 -1.477 -3.912 1.00 0.26 H new ATOM 0 HB2 ARG A 11 17.299 -3.785 -4.236 1.00 0.32 H new ATOM 0 HB3 ARG A 11 17.384 -2.823 -5.698 1.00 0.32 H new ATOM 0 HG2 ARG A 11 19.842 -2.443 -5.226 1.00 0.40 H new ATOM 0 HG3 ARG A 11 19.708 -3.559 -3.881 1.00 0.40 H new ATOM 0 HD2 ARG A 11 18.658 -4.519 -6.512 1.00 0.55 H new ATOM 0 HD3 ARG A 11 20.395 -4.320 -6.395 1.00 0.55 H new ATOM 0 HE ARG A 11 20.177 -5.804 -4.275 1.00 0.68 H new ATOM 0 HH11 ARG A 11 18.033 -6.017 -7.093 1.00 1.36 H new ATOM 0 HH12 ARG A 11 17.688 -7.731 -6.838 1.00 1.36 H new ATOM 0 HH21 ARG A 11 19.731 -8.000 -3.976 1.00 1.17 H new ATOM 0 HH22 ARG A 11 18.644 -8.846 -5.083 1.00 1.17 H new ATOM 176 N VAL A 12 16.987 -2.125 -1.575 1.00 0.16 N ATOM 177 CA VAL A 12 17.247 -2.342 -0.160 1.00 0.12 C ATOM 178 C VAL A 12 16.632 -3.667 0.287 1.00 0.14 C ATOM 179 O VAL A 12 15.589 -4.081 -0.228 1.00 0.18 O ATOM 180 CB VAL A 12 16.697 -1.173 0.699 1.00 0.09 C ATOM 181 CG1 VAL A 12 15.182 -1.063 0.575 1.00 0.08 C ATOM 182 CG2 VAL A 12 17.107 -1.324 2.160 1.00 0.12 C ATOM 0 H VAL A 12 16.002 -2.181 -1.835 1.00 0.16 H new ATOM 0 HA VAL A 12 18.326 -2.383 -0.014 1.00 0.12 H new ATOM 0 HB VAL A 12 17.135 -0.251 0.317 1.00 0.09 H new ATOM 0 HG11 VAL A 12 14.826 -0.235 1.188 1.00 0.08 H new ATOM 0 HG12 VAL A 12 14.914 -0.885 -0.466 1.00 0.08 H new ATOM 0 HG13 VAL A 12 14.721 -1.990 0.915 1.00 0.08 H new ATOM 0 HG21 VAL A 12 16.708 -0.491 2.738 1.00 0.12 H new ATOM 0 HG22 VAL A 12 16.713 -2.261 2.554 1.00 0.12 H new ATOM 0 HG23 VAL A 12 18.194 -1.329 2.234 1.00 0.12 H new ATOM 192 N SER A 13 17.292 -4.342 1.218 1.00 0.14 N ATOM 193 CA SER A 13 16.805 -5.617 1.726 1.00 0.17 C ATOM 194 C SER A 13 16.226 -5.452 3.128 1.00 0.12 C ATOM 195 O SER A 13 16.905 -4.968 4.036 1.00 0.15 O ATOM 196 CB SER A 13 17.941 -6.642 1.734 1.00 0.25 C ATOM 197 OG SER A 13 19.207 -6.004 1.694 1.00 0.56 O ATOM 0 H SER A 13 18.167 -4.027 1.637 1.00 0.14 H new ATOM 0 HA SER A 13 16.011 -5.974 1.071 1.00 0.17 H new ATOM 0 HB2 SER A 13 17.870 -7.260 2.629 1.00 0.25 H new ATOM 0 HB3 SER A 13 17.839 -7.308 0.877 1.00 0.25 H new ATOM 0 HG SER A 13 19.915 -6.681 1.702 1.00 0.56 H new ATOM 203 N VAL A 14 14.972 -5.849 3.298 1.00 0.06 N ATOM 204 CA VAL A 14 14.301 -5.738 4.586 1.00 0.08 C ATOM 205 C VAL A 14 13.734 -7.087 5.014 1.00 0.08 C ATOM 206 O VAL A 14 13.710 -8.031 4.230 1.00 0.12 O ATOM 207 CB VAL A 14 13.161 -4.699 4.548 1.00 0.09 C ATOM 208 CG1 VAL A 14 13.709 -3.293 4.349 1.00 0.10 C ATOM 209 CG2 VAL A 14 12.149 -5.039 3.458 1.00 0.09 C ATOM 0 H VAL A 14 14.398 -6.252 2.558 1.00 0.06 H new ATOM 0 HA VAL A 14 15.048 -5.408 5.308 1.00 0.08 H new ATOM 0 HB VAL A 14 12.650 -4.731 5.510 1.00 0.09 H new ATOM 0 HG11 VAL A 14 12.884 -2.581 4.326 1.00 0.10 H new ATOM 0 HG12 VAL A 14 14.380 -3.044 5.171 1.00 0.10 H new ATOM 0 HG13 VAL A 14 14.256 -3.245 3.407 1.00 0.10 H new ATOM 0 HG21 VAL A 14 11.356 -4.292 3.452 1.00 0.09 H new ATOM 0 HG22 VAL A 14 12.647 -5.047 2.489 1.00 0.09 H new ATOM 0 HG23 VAL A 14 11.720 -6.022 3.654 1.00 0.09 H new ATOM 219 N ARG A 15 13.275 -7.173 6.252 1.00 0.05 N ATOM 220 CA ARG A 15 12.713 -8.410 6.767 1.00 0.05 C ATOM 221 C ARG A 15 11.246 -8.222 7.130 1.00 0.04 C ATOM 222 O ARG A 15 10.919 -7.435 8.016 1.00 0.07 O ATOM 223 CB ARG A 15 13.491 -8.880 7.996 1.00 0.06 C ATOM 224 CG ARG A 15 13.000 -10.206 8.563 1.00 0.06 C ATOM 225 CD ARG A 15 12.694 -10.106 10.050 1.00 0.11 C ATOM 226 NE ARG A 15 11.433 -9.402 10.309 1.00 0.16 N ATOM 227 CZ ARG A 15 11.045 -8.985 11.516 1.00 0.20 C ATOM 228 NH1 ARG A 15 11.839 -9.143 12.571 1.00 0.20 N1+ ATOM 229 NH2 ARG A 15 9.856 -8.416 11.665 1.00 0.26 N ATOM 0 H ARG A 15 13.281 -6.401 6.918 1.00 0.05 H new ATOM 0 HA ARG A 15 12.790 -9.167 5.987 1.00 0.05 H new ATOM 0 HB2 ARG A 15 14.545 -8.975 7.733 1.00 0.06 H new ATOM 0 HB3 ARG A 15 13.424 -8.117 8.771 1.00 0.06 H new ATOM 0 HG2 ARG A 15 12.104 -10.521 8.028 1.00 0.06 H new ATOM 0 HG3 ARG A 15 13.756 -10.974 8.398 1.00 0.06 H new ATOM 0 HD2 ARG A 15 12.644 -11.108 10.477 1.00 0.11 H new ATOM 0 HD3 ARG A 15 13.509 -9.585 10.553 1.00 0.11 H new ATOM 0 HE ARG A 15 10.815 -9.220 9.518 1.00 0.16 H new ATOM 0 HH11 ARG A 15 12.751 -9.585 12.461 1.00 0.20 H new ATOM 0 HH12 ARG A 15 11.536 -8.822 13.490 1.00 0.20 H new ATOM 0 HH21 ARG A 15 9.242 -8.299 10.859 1.00 0.26 H new ATOM 0 HH22 ARG A 15 9.556 -8.096 12.586 1.00 0.26 H new ATOM 243 N ILE A 16 10.370 -8.948 6.452 1.00 0.03 N ATOM 244 CA ILE A 16 8.939 -8.859 6.716 1.00 0.04 C ATOM 245 C ILE A 16 8.362 -10.241 7.001 1.00 0.04 C ATOM 246 O ILE A 16 8.585 -11.182 6.239 1.00 0.04 O ATOM 247 CB ILE A 16 8.171 -8.224 5.535 1.00 0.05 C ATOM 248 CG1 ILE A 16 8.810 -6.893 5.133 1.00 0.08 C ATOM 249 CG2 ILE A 16 6.704 -8.020 5.903 1.00 0.06 C ATOM 250 CD1 ILE A 16 8.415 -6.422 3.749 1.00 0.07 C ATOM 0 H ILE A 16 10.623 -9.606 5.715 1.00 0.03 H new ATOM 0 HA ILE A 16 8.817 -8.218 7.589 1.00 0.04 H new ATOM 0 HB ILE A 16 8.224 -8.903 4.684 1.00 0.05 H new ATOM 0 HG12 ILE A 16 8.530 -6.131 5.860 1.00 0.08 H new ATOM 0 HG13 ILE A 16 9.895 -6.993 5.178 1.00 0.08 H new ATOM 0 HG21 ILE A 16 6.177 -7.572 5.061 1.00 0.06 H new ATOM 0 HG22 ILE A 16 6.252 -8.982 6.144 1.00 0.06 H new ATOM 0 HG23 ILE A 16 6.634 -7.360 6.768 1.00 0.06 H new ATOM 0 HD11 ILE A 16 8.906 -5.473 3.534 1.00 0.07 H new ATOM 0 HD12 ILE A 16 8.720 -7.164 3.011 1.00 0.07 H new ATOM 0 HD13 ILE A 16 7.334 -6.289 3.705 1.00 0.07 H new ATOM 262 N TYR A 17 7.665 -10.361 8.128 1.00 0.08 N ATOM 263 CA TYR A 17 7.023 -11.612 8.542 1.00 0.11 C ATOM 264 C TYR A 17 8.046 -12.730 8.765 1.00 0.19 C ATOM 265 O TYR A 17 7.701 -13.912 8.763 1.00 0.56 O ATOM 266 CB TYR A 17 5.968 -12.043 7.511 1.00 0.04 C ATOM 267 CG TYR A 17 4.717 -12.640 8.126 1.00 0.09 C ATOM 268 CD1 TYR A 17 3.870 -11.872 8.917 1.00 0.18 C ATOM 269 CD2 TYR A 17 4.382 -13.971 7.908 1.00 0.08 C ATOM 270 CE1 TYR A 17 2.725 -12.415 9.473 1.00 0.23 C ATOM 271 CE2 TYR A 17 3.241 -14.519 8.459 1.00 0.12 C ATOM 272 CZ TYR A 17 2.415 -13.740 9.242 1.00 0.20 C ATOM 273 OH TYR A 17 1.277 -14.288 9.793 1.00 0.25 O ATOM 0 H TYR A 17 7.527 -9.592 8.784 1.00 0.08 H new ATOM 0 HA TYR A 17 6.528 -11.427 9.495 1.00 0.11 H new ATOM 0 HB2 TYR A 17 5.688 -11.179 6.909 1.00 0.04 H new ATOM 0 HB3 TYR A 17 6.412 -12.773 6.834 1.00 0.04 H new ATOM 0 HD1 TYR A 17 4.109 -10.835 9.100 1.00 0.18 H new ATOM 0 HD2 TYR A 17 5.025 -14.587 7.297 1.00 0.08 H new ATOM 0 HE1 TYR A 17 2.077 -11.805 10.085 1.00 0.23 H new ATOM 0 HE2 TYR A 17 2.996 -15.555 8.277 1.00 0.12 H new ATOM 0 HH TYR A 17 0.536 -13.652 9.714 1.00 0.25 H new ATOM 283 N GLY A 18 9.305 -12.355 8.957 1.00 0.18 N ATOM 284 CA GLY A 18 10.342 -13.339 9.198 1.00 0.13 C ATOM 285 C GLY A 18 11.129 -13.716 7.952 1.00 0.05 C ATOM 286 O GLY A 18 11.980 -14.602 8.003 1.00 0.11 O ATOM 0 H GLY A 18 9.626 -11.387 8.950 1.00 0.18 H new ATOM 0 HA2 GLY A 18 11.031 -12.951 9.949 1.00 0.13 H new ATOM 0 HA3 GLY A 18 9.888 -14.238 9.616 1.00 0.13 H new ATOM 290 N GLN A 19 10.856 -13.063 6.829 1.00 0.05 N ATOM 291 CA GLN A 19 11.572 -13.363 5.591 1.00 0.10 C ATOM 292 C GLN A 19 12.221 -12.101 5.023 1.00 0.05 C ATOM 293 O GLN A 19 11.744 -10.993 5.265 1.00 0.08 O ATOM 294 CB GLN A 19 10.625 -13.976 4.559 1.00 0.19 C ATOM 295 CG GLN A 19 10.148 -15.374 4.914 1.00 0.14 C ATOM 296 CD GLN A 19 11.231 -16.417 4.742 1.00 0.49 C ATOM 297 OE1 GLN A 19 11.388 -16.993 3.665 1.00 0.68 O ATOM 298 NE2 GLN A 19 11.989 -16.664 5.799 1.00 0.67 N ATOM 0 H GLN A 19 10.152 -12.329 6.748 1.00 0.05 H new ATOM 0 HA GLN A 19 12.356 -14.085 5.819 1.00 0.10 H new ATOM 0 HB2 GLN A 19 9.758 -13.325 4.444 1.00 0.19 H new ATOM 0 HB3 GLN A 19 11.129 -14.009 3.593 1.00 0.19 H new ATOM 0 HG2 GLN A 19 9.799 -15.384 5.947 1.00 0.14 H new ATOM 0 HG3 GLN A 19 9.295 -15.634 4.287 1.00 0.14 H new ATOM 0 HE21 GLN A 19 11.825 -16.164 6.673 1.00 0.67 H new ATOM 0 HE22 GLN A 19 12.737 -17.354 5.740 1.00 0.67 H new ATOM 307 N ASP A 20 13.310 -12.278 4.280 1.00 0.12 N ATOM 308 CA ASP A 20 14.024 -11.155 3.675 1.00 0.10 C ATOM 309 C ASP A 20 13.441 -10.827 2.306 1.00 0.09 C ATOM 310 O ASP A 20 13.134 -11.725 1.524 1.00 0.10 O ATOM 311 CB ASP A 20 15.521 -11.483 3.552 1.00 0.17 C ATOM 312 CG ASP A 20 16.221 -10.728 2.432 1.00 0.39 C ATOM 313 OD1 ASP A 20 16.442 -9.508 2.574 1.00 0.55 O ATOM 314 OD2 ASP A 20 16.593 -11.367 1.419 1.00 0.49 O1- ATOM 0 H ASP A 20 13.719 -13.191 4.081 1.00 0.12 H new ATOM 0 HA ASP A 20 13.907 -10.283 4.318 1.00 0.10 H new ATOM 0 HB2 ASP A 20 16.013 -11.253 4.497 1.00 0.17 H new ATOM 0 HB3 ASP A 20 15.637 -12.554 3.385 1.00 0.17 H new ATOM 319 N TYR A 21 13.269 -9.546 2.037 1.00 0.07 N ATOM 320 CA TYR A 21 12.726 -9.095 0.768 1.00 0.07 C ATOM 321 C TYR A 21 13.502 -7.886 0.271 1.00 0.07 C ATOM 322 O TYR A 21 13.780 -6.961 1.034 1.00 0.16 O ATOM 323 CB TYR A 21 11.242 -8.743 0.907 1.00 0.05 C ATOM 324 CG TYR A 21 10.392 -9.894 1.396 1.00 0.07 C ATOM 325 CD1 TYR A 21 10.112 -10.975 0.571 1.00 0.15 C ATOM 326 CD2 TYR A 21 9.882 -9.905 2.688 1.00 0.05 C ATOM 327 CE1 TYR A 21 9.348 -12.035 1.017 1.00 0.17 C ATOM 328 CE2 TYR A 21 9.118 -10.960 3.142 1.00 0.08 C ATOM 329 CZ TYR A 21 8.854 -12.021 2.306 1.00 0.12 C ATOM 330 OH TYR A 21 8.089 -13.072 2.761 1.00 0.15 O ATOM 0 H TYR A 21 13.500 -8.794 2.686 1.00 0.07 H new ATOM 0 HA TYR A 21 12.822 -9.905 0.045 1.00 0.07 H new ATOM 0 HB2 TYR A 21 11.138 -7.906 1.598 1.00 0.05 H new ATOM 0 HB3 TYR A 21 10.864 -8.408 -0.059 1.00 0.05 H new ATOM 0 HD1 TYR A 21 10.499 -10.987 -0.437 1.00 0.15 H new ATOM 0 HD2 TYR A 21 10.087 -9.075 3.347 1.00 0.05 H new ATOM 0 HE1 TYR A 21 9.139 -12.868 0.363 1.00 0.17 H new ATOM 0 HE2 TYR A 21 8.729 -10.953 4.149 1.00 0.08 H new ATOM 0 HH TYR A 21 7.450 -12.747 3.429 1.00 0.15 H new ATOM 340 N THR A 22 13.857 -7.901 -1.002 1.00 0.19 N ATOM 341 CA THR A 22 14.599 -6.806 -1.601 1.00 0.20 C ATOM 342 C THR A 22 13.695 -6.005 -2.532 1.00 0.21 C ATOM 343 O THR A 22 13.113 -6.557 -3.465 1.00 0.38 O ATOM 344 CB THR A 22 15.811 -7.341 -2.383 1.00 0.25 C ATOM 345 OG1 THR A 22 16.338 -8.499 -1.720 1.00 0.19 O ATOM 346 CG2 THR A 22 16.893 -6.283 -2.504 1.00 0.32 C ATOM 0 H THR A 22 13.642 -8.664 -1.644 1.00 0.19 H new ATOM 0 HA THR A 22 14.956 -6.155 -0.803 1.00 0.20 H new ATOM 0 HB THR A 22 15.482 -7.609 -3.387 1.00 0.25 H new ATOM 0 HG1 THR A 22 17.109 -8.840 -2.220 1.00 0.19 H new ATOM 0 HG21 THR A 22 17.738 -6.688 -3.061 1.00 0.32 H new ATOM 0 HG22 THR A 22 16.495 -5.414 -3.029 1.00 0.32 H new ATOM 0 HG23 THR A 22 17.224 -5.986 -1.509 1.00 0.32 H new ATOM 354 N ILE A 23 13.570 -4.709 -2.272 1.00 0.16 N ATOM 355 CA ILE A 23 12.715 -3.852 -3.082 1.00 0.16 C ATOM 356 C ILE A 23 13.457 -2.600 -3.526 1.00 0.15 C ATOM 357 O ILE A 23 14.574 -2.337 -3.075 1.00 0.13 O ATOM 358 CB ILE A 23 11.420 -3.432 -2.342 1.00 0.17 C ATOM 359 CG1 ILE A 23 11.734 -2.585 -1.088 1.00 0.05 C ATOM 360 CG2 ILE A 23 10.576 -4.657 -2.008 1.00 0.31 C ATOM 361 CD1 ILE A 23 11.961 -3.364 0.200 1.00 0.06 C ATOM 0 H ILE A 23 14.048 -4.230 -1.509 1.00 0.16 H new ATOM 0 HA ILE A 23 12.435 -4.445 -3.952 1.00 0.16 H new ATOM 0 HB ILE A 23 10.835 -2.798 -3.008 1.00 0.17 H new ATOM 0 HG12 ILE A 23 12.623 -1.987 -1.290 1.00 0.05 H new ATOM 0 HG13 ILE A 23 10.911 -1.888 -0.928 1.00 0.05 H new ATOM 0 HG21 ILE A 23 9.670 -4.344 -1.489 1.00 0.31 H new ATOM 0 HG22 ILE A 23 10.306 -5.175 -2.928 1.00 0.31 H new ATOM 0 HG23 ILE A 23 11.148 -5.329 -1.368 1.00 0.31 H new ATOM 0 HD11 ILE A 23 12.173 -2.669 1.013 1.00 0.06 H new ATOM 0 HD12 ILE A 23 11.067 -3.940 0.439 1.00 0.06 H new ATOM 0 HD13 ILE A 23 12.806 -4.041 0.072 1.00 0.06 H new ATOM 373 N VAL A 24 12.832 -1.839 -4.413 1.00 0.16 N ATOM 374 CA VAL A 24 13.420 -0.616 -4.933 1.00 0.15 C ATOM 375 C VAL A 24 12.858 0.602 -4.205 1.00 0.15 C ATOM 376 O VAL A 24 11.687 0.947 -4.365 1.00 0.15 O ATOM 377 CB VAL A 24 13.160 -0.460 -6.448 1.00 0.17 C ATOM 378 CG1 VAL A 24 13.854 0.779 -6.995 1.00 0.17 C ATOM 379 CG2 VAL A 24 13.613 -1.700 -7.204 1.00 0.18 C ATOM 0 H VAL A 24 11.908 -2.051 -4.790 1.00 0.16 H new ATOM 0 HA VAL A 24 14.495 -0.682 -4.767 1.00 0.15 H new ATOM 0 HB VAL A 24 12.086 -0.341 -6.593 1.00 0.17 H new ATOM 0 HG11 VAL A 24 13.655 0.866 -8.063 1.00 0.17 H new ATOM 0 HG12 VAL A 24 13.476 1.664 -6.483 1.00 0.17 H new ATOM 0 HG13 VAL A 24 14.928 0.696 -6.832 1.00 0.17 H new ATOM 0 HG21 VAL A 24 13.420 -1.568 -8.269 1.00 0.18 H new ATOM 0 HG22 VAL A 24 14.680 -1.854 -7.045 1.00 0.18 H new ATOM 0 HG23 VAL A 24 13.063 -2.568 -6.841 1.00 0.18 H new ATOM 389 N GLY A 25 13.694 1.245 -3.404 1.00 0.14 N ATOM 390 CA GLY A 25 13.274 2.418 -2.668 1.00 0.13 C ATOM 391 C GLY A 25 14.448 3.087 -1.988 1.00 0.11 C ATOM 392 O GLY A 25 15.334 2.402 -1.475 1.00 0.08 O ATOM 0 H GLY A 25 14.665 0.972 -3.250 1.00 0.14 H new ATOM 0 HA2 GLY A 25 12.793 3.123 -3.346 1.00 0.13 H new ATOM 0 HA3 GLY A 25 12.531 2.136 -1.922 1.00 0.13 H new ATOM 396 N ALA A 26 14.474 4.417 -1.999 1.00 0.15 N ATOM 397 CA ALA A 26 15.561 5.166 -1.381 1.00 0.17 C ATOM 398 C ALA A 26 15.205 6.640 -1.228 1.00 0.12 C ATOM 399 O ALA A 26 15.990 7.518 -1.589 1.00 0.19 O ATOM 400 CB ALA A 26 16.834 5.020 -2.193 1.00 0.27 C ATOM 0 H ALA A 26 13.754 4.997 -2.430 1.00 0.15 H new ATOM 0 HA ALA A 26 15.723 4.752 -0.386 1.00 0.17 H new ATOM 0 HB1 ALA A 26 17.636 5.585 -1.718 1.00 0.27 H new ATOM 0 HB2 ALA A 26 17.114 3.968 -2.245 1.00 0.27 H new ATOM 0 HB3 ALA A 26 16.669 5.402 -3.200 1.00 0.27 H new ATOM 406 N GLU A 27 14.014 6.918 -0.719 1.00 0.11 N ATOM 407 CA GLU A 27 13.593 8.296 -0.513 1.00 0.05 C ATOM 408 C GLU A 27 14.138 8.788 0.821 1.00 0.10 C ATOM 409 O GLU A 27 14.280 9.988 1.055 1.00 0.20 O ATOM 410 CB GLU A 27 12.062 8.422 -0.561 1.00 0.11 C ATOM 411 CG GLU A 27 11.358 7.996 0.719 1.00 0.78 C ATOM 412 CD GLU A 27 11.065 6.511 0.773 1.00 1.22 C ATOM 413 OE1 GLU A 27 11.934 5.714 0.371 1.00 1.58 O1- ATOM 414 OE2 GLU A 27 9.960 6.047 1.225 1.00 1.46 O ATOM 0 H GLU A 27 13.328 6.216 -0.443 1.00 0.11 H new ATOM 0 HA GLU A 27 13.992 8.915 -1.317 1.00 0.05 H new ATOM 0 HB2 GLU A 27 11.801 9.458 -0.778 1.00 0.11 H new ATOM 0 HB3 GLU A 27 11.685 7.819 -1.387 1.00 0.11 H new ATOM 0 HG2 GLU A 27 11.976 8.269 1.574 1.00 0.78 H new ATOM 0 HG3 GLU A 27 10.423 8.548 0.813 1.00 0.78 H new ATOM 421 N SER A 28 14.449 7.828 1.682 1.00 0.11 N ATOM 422 CA SER A 28 14.995 8.089 3.004 1.00 0.17 C ATOM 423 C SER A 28 15.403 6.764 3.649 1.00 0.18 C ATOM 424 O SER A 28 14.614 5.817 3.673 1.00 0.15 O ATOM 425 CB SER A 28 13.972 8.817 3.884 1.00 0.18 C ATOM 426 OG SER A 28 14.138 10.224 3.809 1.00 0.26 O ATOM 0 H SER A 28 14.327 6.836 1.478 1.00 0.11 H new ATOM 0 HA SER A 28 15.869 8.733 2.907 1.00 0.17 H new ATOM 0 HB2 SER A 28 12.963 8.550 3.570 1.00 0.18 H new ATOM 0 HB3 SER A 28 14.080 8.490 4.918 1.00 0.18 H new ATOM 0 HG SER A 28 14.228 10.493 2.871 1.00 0.26 H new ATOM 432 N PRO A 29 16.638 6.676 4.177 1.00 0.23 N ATOM 433 CA PRO A 29 17.158 5.448 4.797 1.00 0.26 C ATOM 434 C PRO A 29 16.288 4.938 5.947 1.00 0.28 C ATOM 435 O PRO A 29 16.150 3.732 6.138 1.00 0.34 O ATOM 436 CB PRO A 29 18.550 5.848 5.306 1.00 0.31 C ATOM 437 CG PRO A 29 18.553 7.340 5.317 1.00 0.31 C ATOM 438 CD PRO A 29 17.629 7.763 4.212 1.00 0.25 C ATOM 0 HA PRO A 29 17.175 4.625 4.082 1.00 0.26 H new ATOM 0 HB2 PRO A 29 18.734 5.447 6.303 1.00 0.31 H new ATOM 0 HB3 PRO A 29 19.333 5.458 4.656 1.00 0.31 H new ATOM 0 HG2 PRO A 29 18.213 7.724 6.279 1.00 0.31 H new ATOM 0 HG3 PRO A 29 19.558 7.730 5.156 1.00 0.31 H new ATOM 0 HD2 PRO A 29 17.164 8.727 4.421 1.00 0.25 H new ATOM 0 HD3 PRO A 29 18.154 7.862 3.262 1.00 0.25 H new ATOM 446 N ALA A 30 15.702 5.852 6.709 1.00 0.27 N ATOM 447 CA ALA A 30 14.851 5.467 7.826 1.00 0.30 C ATOM 448 C ALA A 30 13.465 5.062 7.333 1.00 0.18 C ATOM 449 O ALA A 30 12.849 4.136 7.861 1.00 0.15 O ATOM 450 CB ALA A 30 14.744 6.608 8.825 1.00 0.41 C ATOM 0 H ALA A 30 15.799 6.858 6.575 1.00 0.27 H new ATOM 0 HA ALA A 30 15.303 4.608 8.322 1.00 0.30 H new ATOM 0 HB1 ALA A 30 14.105 6.306 9.655 1.00 0.41 H new ATOM 0 HB2 ALA A 30 15.736 6.855 9.202 1.00 0.41 H new ATOM 0 HB3 ALA A 30 14.314 7.482 8.335 1.00 0.41 H new ATOM 456 N HIS A 31 13.004 5.754 6.300 1.00 0.13 N ATOM 457 CA HIS A 31 11.690 5.500 5.709 1.00 0.10 C ATOM 458 C HIS A 31 11.585 4.067 5.206 1.00 0.09 C ATOM 459 O HIS A 31 10.714 3.319 5.631 1.00 0.19 O ATOM 460 CB HIS A 31 11.423 6.467 4.550 1.00 0.21 C ATOM 461 CG HIS A 31 10.068 7.107 4.582 1.00 0.05 C ATOM 462 ND1 HIS A 31 9.220 7.118 3.498 1.00 0.28 N ATOM 463 CD2 HIS A 31 9.433 7.798 5.556 1.00 0.12 C ATOM 464 CE1 HIS A 31 8.126 7.787 3.802 1.00 0.41 C ATOM 465 NE2 HIS A 31 8.226 8.214 5.045 1.00 0.32 N ATOM 0 H HIS A 31 13.525 6.505 5.847 1.00 0.13 H new ATOM 0 HA HIS A 31 10.943 5.656 6.487 1.00 0.10 H new ATOM 0 HB2 HIS A 31 12.182 7.249 4.562 1.00 0.21 H new ATOM 0 HB3 HIS A 31 11.536 5.928 3.609 1.00 0.21 H new ATOM 0 HD1 HIS A 31 9.409 6.676 2.598 1.00 0.28 H new ATOM 0 HD2 HIS A 31 9.805 7.988 6.552 1.00 0.12 H new ATOM 0 HE1 HIS A 31 7.288 7.957 3.143 1.00 0.41 H new ATOM 474 N ILE A 32 12.507 3.691 4.325 1.00 0.08 N ATOM 475 CA ILE A 32 12.527 2.349 3.736 1.00 0.20 C ATOM 476 C ILE A 32 12.582 1.249 4.800 1.00 0.27 C ATOM 477 O ILE A 32 12.132 0.129 4.564 1.00 0.36 O ATOM 478 CB ILE A 32 13.712 2.172 2.756 1.00 0.23 C ATOM 479 CG1 ILE A 32 15.062 2.352 3.479 1.00 0.25 C ATOM 480 CG2 ILE A 32 13.580 3.148 1.591 1.00 0.18 C ATOM 481 CD1 ILE A 32 16.274 2.227 2.575 1.00 0.30 C ATOM 0 H ILE A 32 13.257 4.300 3.999 1.00 0.08 H new ATOM 0 HA ILE A 32 11.591 2.250 3.186 1.00 0.20 H new ATOM 0 HB ILE A 32 13.685 1.156 2.361 1.00 0.23 H new ATOM 0 HG12 ILE A 32 15.078 3.332 3.956 1.00 0.25 H new ATOM 0 HG13 ILE A 32 15.137 1.610 4.274 1.00 0.25 H new ATOM 0 HG21 ILE A 32 14.419 3.015 0.908 1.00 0.18 H new ATOM 0 HG22 ILE A 32 12.647 2.958 1.061 1.00 0.18 H new ATOM 0 HG23 ILE A 32 13.580 4.170 1.971 1.00 0.18 H new ATOM 0 HD11 ILE A 32 17.182 2.367 3.162 1.00 0.30 H new ATOM 0 HD12 ILE A 32 16.286 1.238 2.118 1.00 0.30 H new ATOM 0 HD13 ILE A 32 16.226 2.987 1.795 1.00 0.30 H new ATOM 493 N ARG A 33 13.121 1.573 5.968 1.00 0.25 N ATOM 494 CA ARG A 33 13.226 0.605 7.052 1.00 0.32 C ATOM 495 C ARG A 33 11.890 0.444 7.777 1.00 0.34 C ATOM 496 O ARG A 33 11.483 -0.671 8.107 1.00 0.57 O ATOM 497 CB ARG A 33 14.320 1.024 8.039 1.00 0.34 C ATOM 498 CG ARG A 33 15.731 0.821 7.503 1.00 0.38 C ATOM 499 CD ARG A 33 16.779 1.275 8.507 1.00 0.37 C ATOM 500 NE ARG A 33 16.604 0.619 9.802 1.00 0.36 N ATOM 501 CZ ARG A 33 16.506 1.267 10.965 1.00 0.68 C ATOM 502 NH1 ARG A 33 16.655 2.582 11.014 1.00 1.01 N1+ ATOM 503 NH2 ARG A 33 16.280 0.590 12.083 1.00 0.84 N ATOM 0 H ARG A 33 13.492 2.497 6.189 1.00 0.25 H new ATOM 0 HA ARG A 33 13.494 -0.358 6.618 1.00 0.32 H new ATOM 0 HB2 ARG A 33 14.185 2.075 8.295 1.00 0.34 H new ATOM 0 HB3 ARG A 33 14.204 0.454 8.961 1.00 0.34 H new ATOM 0 HG2 ARG A 33 15.884 -0.232 7.267 1.00 0.38 H new ATOM 0 HG3 ARG A 33 15.852 1.377 6.573 1.00 0.38 H new ATOM 0 HD2 ARG A 33 17.774 1.056 8.119 1.00 0.37 H new ATOM 0 HD3 ARG A 33 16.717 2.356 8.635 1.00 0.37 H new ATOM 0 HE ARG A 33 16.554 -0.400 9.818 1.00 0.36 H new ATOM 0 HH11 ARG A 33 16.846 3.106 10.160 1.00 1.01 H new ATOM 0 HH12 ARG A 33 16.579 3.071 11.906 1.00 1.01 H new ATOM 0 HH21 ARG A 33 16.181 -0.425 12.054 1.00 0.84 H new ATOM 0 HH22 ARG A 33 16.205 1.084 12.972 1.00 0.84 H new ATOM 517 N LEU A 34 11.202 1.558 8.010 1.00 0.14 N ATOM 518 CA LEU A 34 9.916 1.520 8.702 1.00 0.15 C ATOM 519 C LEU A 34 8.810 0.979 7.795 1.00 0.16 C ATOM 520 O LEU A 34 7.780 0.516 8.284 1.00 0.17 O ATOM 521 CB LEU A 34 9.539 2.897 9.281 1.00 0.13 C ATOM 522 CG LEU A 34 9.397 4.060 8.285 1.00 0.07 C ATOM 523 CD1 LEU A 34 7.977 4.147 7.745 1.00 0.12 C ATOM 524 CD2 LEU A 34 9.790 5.368 8.956 1.00 0.04 C ATOM 0 H LEU A 34 11.509 2.490 7.733 1.00 0.14 H new ATOM 0 HA LEU A 34 10.022 0.833 9.541 1.00 0.15 H new ATOM 0 HB2 LEU A 34 8.595 2.792 9.816 1.00 0.13 H new ATOM 0 HB3 LEU A 34 10.294 3.173 10.018 1.00 0.13 H new ATOM 0 HG LEU A 34 10.065 3.876 7.444 1.00 0.07 H new ATOM 0 HD11 LEU A 34 7.905 4.978 7.043 1.00 0.12 H new ATOM 0 HD12 LEU A 34 7.724 3.218 7.234 1.00 0.12 H new ATOM 0 HD13 LEU A 34 7.283 4.308 8.570 1.00 0.12 H new ATOM 0 HD21 LEU A 34 9.687 6.187 8.244 1.00 0.04 H new ATOM 0 HD22 LEU A 34 9.140 5.547 9.812 1.00 0.04 H new ATOM 0 HD23 LEU A 34 10.825 5.308 9.292 1.00 0.04 H new ATOM 536 N VAL A 35 9.026 1.036 6.479 1.00 0.16 N ATOM 537 CA VAL A 35 8.047 0.528 5.519 1.00 0.16 C ATOM 538 C VAL A 35 7.797 -0.955 5.775 1.00 0.13 C ATOM 539 O VAL A 35 6.655 -1.420 5.776 1.00 0.12 O ATOM 540 CB VAL A 35 8.514 0.713 4.054 1.00 0.20 C ATOM 541 CG1 VAL A 35 7.507 0.112 3.085 1.00 0.18 C ATOM 542 CG2 VAL A 35 8.730 2.180 3.731 1.00 0.25 C ATOM 0 H VAL A 35 9.868 1.428 6.056 1.00 0.16 H new ATOM 0 HA VAL A 35 7.131 1.102 5.657 1.00 0.16 H new ATOM 0 HB VAL A 35 9.464 0.190 3.943 1.00 0.20 H new ATOM 0 HG11 VAL A 35 7.857 0.254 2.062 1.00 0.18 H new ATOM 0 HG12 VAL A 35 7.399 -0.954 3.287 1.00 0.18 H new ATOM 0 HG13 VAL A 35 6.543 0.604 3.211 1.00 0.18 H new ATOM 0 HG21 VAL A 35 9.057 2.280 2.696 1.00 0.25 H new ATOM 0 HG22 VAL A 35 7.796 2.725 3.871 1.00 0.25 H new ATOM 0 HG23 VAL A 35 9.492 2.590 4.394 1.00 0.25 H new ATOM 552 N ALA A 36 8.879 -1.682 6.021 1.00 0.14 N ATOM 553 CA ALA A 36 8.806 -3.110 6.287 1.00 0.15 C ATOM 554 C ALA A 36 8.039 -3.385 7.572 1.00 0.12 C ATOM 555 O ALA A 36 7.174 -4.259 7.615 1.00 0.11 O ATOM 556 CB ALA A 36 10.203 -3.696 6.378 1.00 0.18 C ATOM 0 H ALA A 36 9.825 -1.301 6.041 1.00 0.14 H new ATOM 0 HA ALA A 36 8.273 -3.584 5.463 1.00 0.15 H new ATOM 0 HB1 ALA A 36 10.137 -4.766 6.577 1.00 0.18 H new ATOM 0 HB2 ALA A 36 10.727 -3.534 5.436 1.00 0.18 H new ATOM 0 HB3 ALA A 36 10.750 -3.210 7.186 1.00 0.18 H new ATOM 562 N ALA A 37 8.356 -2.615 8.610 1.00 0.13 N ATOM 563 CA ALA A 37 7.711 -2.767 9.909 1.00 0.11 C ATOM 564 C ALA A 37 6.212 -2.509 9.812 1.00 0.14 C ATOM 565 O ALA A 37 5.420 -3.116 10.533 1.00 0.20 O ATOM 566 CB ALA A 37 8.342 -1.826 10.925 1.00 0.13 C ATOM 0 H ALA A 37 9.059 -1.877 8.575 1.00 0.13 H new ATOM 0 HA ALA A 37 7.857 -3.795 10.240 1.00 0.11 H new ATOM 0 HB1 ALA A 37 7.851 -1.950 11.890 1.00 0.13 H new ATOM 0 HB2 ALA A 37 9.403 -2.057 11.025 1.00 0.13 H new ATOM 0 HB3 ALA A 37 8.225 -0.796 10.588 1.00 0.13 H new ATOM 572 N PHE A 38 5.834 -1.610 8.909 1.00 0.15 N ATOM 573 CA PHE A 38 4.433 -1.272 8.707 1.00 0.21 C ATOM 574 C PHE A 38 3.657 -2.493 8.223 1.00 0.21 C ATOM 575 O PHE A 38 2.617 -2.842 8.782 1.00 0.28 O ATOM 576 CB PHE A 38 4.298 -0.129 7.699 1.00 0.26 C ATOM 577 CG PHE A 38 2.913 0.451 7.632 1.00 0.34 C ATOM 578 CD1 PHE A 38 2.446 1.266 8.649 1.00 0.41 C ATOM 579 CD2 PHE A 38 2.076 0.174 6.564 1.00 0.35 C ATOM 580 CE1 PHE A 38 1.173 1.799 8.603 1.00 0.50 C ATOM 581 CE2 PHE A 38 0.799 0.705 6.511 1.00 0.43 C ATOM 582 CZ PHE A 38 0.347 1.518 7.532 1.00 0.50 C ATOM 0 H PHE A 38 6.481 -1.103 8.305 1.00 0.15 H new ATOM 0 HA PHE A 38 4.017 -0.947 9.660 1.00 0.21 H new ATOM 0 HB2 PHE A 38 5.002 0.661 7.961 1.00 0.26 H new ATOM 0 HB3 PHE A 38 4.580 -0.492 6.710 1.00 0.26 H new ATOM 0 HD1 PHE A 38 3.086 1.488 9.490 1.00 0.41 H new ATOM 0 HD2 PHE A 38 2.423 -0.463 5.764 1.00 0.35 H new ATOM 0 HE1 PHE A 38 0.824 2.435 9.403 1.00 0.50 H new ATOM 0 HE2 PHE A 38 0.156 0.484 5.672 1.00 0.43 H new ATOM 0 HZ PHE A 38 -0.649 1.933 7.493 1.00 0.50 H new ATOM 592 N VAL A 39 4.182 -3.151 7.195 1.00 0.16 N ATOM 593 CA VAL A 39 3.539 -4.335 6.632 1.00 0.17 C ATOM 594 C VAL A 39 3.614 -5.508 7.606 1.00 0.16 C ATOM 595 O VAL A 39 2.667 -6.286 7.728 1.00 0.18 O ATOM 596 CB VAL A 39 4.185 -4.749 5.291 1.00 0.15 C ATOM 597 CG1 VAL A 39 3.485 -5.964 4.702 1.00 0.17 C ATOM 598 CG2 VAL A 39 4.165 -3.595 4.302 1.00 0.15 C ATOM 0 H VAL A 39 5.052 -2.885 6.734 1.00 0.16 H new ATOM 0 HA VAL A 39 2.496 -4.076 6.453 1.00 0.17 H new ATOM 0 HB VAL A 39 5.223 -5.015 5.489 1.00 0.15 H new ATOM 0 HG11 VAL A 39 3.959 -6.235 3.758 1.00 0.17 H new ATOM 0 HG12 VAL A 39 3.559 -6.799 5.398 1.00 0.17 H new ATOM 0 HG13 VAL A 39 2.435 -5.730 4.527 1.00 0.17 H new ATOM 0 HG21 VAL A 39 4.625 -3.910 3.366 1.00 0.15 H new ATOM 0 HG22 VAL A 39 3.134 -3.293 4.116 1.00 0.15 H new ATOM 0 HG23 VAL A 39 4.721 -2.753 4.714 1.00 0.15 H new ATOM 608 N ASP A 40 4.742 -5.611 8.299 1.00 0.12 N ATOM 609 CA ASP A 40 4.975 -6.681 9.266 1.00 0.11 C ATOM 610 C ASP A 40 3.875 -6.708 10.327 1.00 0.12 C ATOM 611 O ASP A 40 3.242 -7.743 10.558 1.00 0.13 O ATOM 612 CB ASP A 40 6.347 -6.500 9.928 1.00 0.09 C ATOM 613 CG ASP A 40 6.877 -7.785 10.539 1.00 0.09 C ATOM 614 OD1 ASP A 40 6.391 -8.181 11.618 1.00 1.03 O ATOM 615 OD2 ASP A 40 7.806 -8.389 9.952 1.00 1.14 O1- ATOM 0 H ASP A 40 5.520 -4.958 8.208 1.00 0.12 H new ATOM 0 HA ASP A 40 4.958 -7.633 8.736 1.00 0.11 H new ATOM 0 HB2 ASP A 40 7.058 -6.135 9.187 1.00 0.09 H new ATOM 0 HB3 ASP A 40 6.274 -5.737 10.703 1.00 0.09 H new ATOM 620 N ASP A 41 3.631 -5.560 10.956 1.00 0.12 N ATOM 621 CA ASP A 41 2.604 -5.463 11.989 1.00 0.13 C ATOM 622 C ASP A 41 1.209 -5.556 11.376 1.00 0.09 C ATOM 623 O ASP A 41 0.301 -6.147 11.965 1.00 0.07 O ATOM 624 CB ASP A 41 2.743 -4.157 12.782 1.00 0.16 C ATOM 625 CG ASP A 41 1.788 -4.091 13.962 1.00 0.13 C ATOM 626 OD1 ASP A 41 1.924 -4.910 14.894 1.00 0.12 O1- ATOM 627 OD2 ASP A 41 0.898 -3.213 13.967 1.00 0.22 O ATOM 0 H ASP A 41 4.128 -4.689 10.769 1.00 0.12 H new ATOM 0 HA ASP A 41 2.742 -6.300 12.674 1.00 0.13 H new ATOM 0 HB2 ASP A 41 3.767 -4.061 13.142 1.00 0.16 H new ATOM 0 HB3 ASP A 41 2.557 -3.311 12.120 1.00 0.16 H new ATOM 632 N LYS A 42 1.053 -4.983 10.183 1.00 0.10 N ATOM 633 CA LYS A 42 -0.227 -5.007 9.477 1.00 0.11 C ATOM 634 C LYS A 42 -0.668 -6.443 9.213 1.00 0.03 C ATOM 635 O LYS A 42 -1.820 -6.804 9.447 1.00 0.07 O ATOM 636 CB LYS A 42 -0.130 -4.240 8.152 1.00 0.19 C ATOM 637 CG LYS A 42 -0.516 -2.775 8.266 1.00 0.26 C ATOM 638 CD LYS A 42 -2.019 -2.586 8.146 1.00 0.28 C ATOM 639 CE LYS A 42 -2.457 -1.223 8.659 1.00 0.31 C ATOM 640 NZ LYS A 42 -2.239 -1.087 10.125 1.00 0.38 N1+ ATOM 0 H LYS A 42 1.798 -4.496 9.685 1.00 0.10 H new ATOM 0 HA LYS A 42 -0.969 -4.521 10.110 1.00 0.11 H new ATOM 0 HB2 LYS A 42 0.891 -4.310 7.776 1.00 0.19 H new ATOM 0 HB3 LYS A 42 -0.775 -4.720 7.416 1.00 0.19 H new ATOM 0 HG2 LYS A 42 -0.174 -2.380 9.223 1.00 0.26 H new ATOM 0 HG3 LYS A 42 -0.013 -2.203 7.487 1.00 0.26 H new ATOM 0 HD2 LYS A 42 -2.318 -2.696 7.103 1.00 0.28 H new ATOM 0 HD3 LYS A 42 -2.530 -3.368 8.708 1.00 0.28 H new ATOM 0 HE2 LYS A 42 -1.904 -0.443 8.136 1.00 0.31 H new ATOM 0 HE3 LYS A 42 -3.513 -1.072 8.433 1.00 0.31 H new ATOM 0 HZ1 LYS A 42 -2.885 -0.367 10.507 1.00 0.38 H new ATOM 0 HZ2 LYS A 42 -2.424 -1.999 10.590 1.00 0.38 H new ATOM 0 HZ3 LYS A 42 -1.256 -0.800 10.305 1.00 0.38 H new ATOM 654 N MET A 43 0.256 -7.268 8.732 1.00 0.07 N ATOM 655 CA MET A 43 -0.048 -8.666 8.457 1.00 0.12 C ATOM 656 C MET A 43 -0.371 -9.397 9.748 1.00 0.16 C ATOM 657 O MET A 43 -1.270 -10.234 9.786 1.00 0.35 O ATOM 658 CB MET A 43 1.119 -9.356 7.744 1.00 0.18 C ATOM 659 CG MET A 43 1.247 -8.973 6.277 1.00 0.16 C ATOM 660 SD MET A 43 2.531 -9.908 5.425 1.00 0.26 S ATOM 661 CE MET A 43 1.810 -11.547 5.403 1.00 0.29 C ATOM 0 H MET A 43 1.217 -6.994 8.526 1.00 0.07 H new ATOM 0 HA MET A 43 -0.917 -8.698 7.799 1.00 0.12 H new ATOM 0 HB2 MET A 43 2.047 -9.107 8.259 1.00 0.18 H new ATOM 0 HB3 MET A 43 0.993 -10.436 7.820 1.00 0.18 H new ATOM 0 HG2 MET A 43 0.292 -9.137 5.778 1.00 0.16 H new ATOM 0 HG3 MET A 43 1.468 -7.908 6.201 1.00 0.16 H new ATOM 0 HE1 MET A 43 2.301 -12.150 4.639 1.00 0.29 H new ATOM 0 HE2 MET A 43 1.944 -12.016 6.378 1.00 0.29 H new ATOM 0 HE3 MET A 43 0.746 -11.473 5.179 1.00 0.29 H new ATOM 671 N HIS A 44 0.356 -9.059 10.805 1.00 0.02 N ATOM 672 CA HIS A 44 0.170 -9.683 12.112 1.00 0.04 C ATOM 673 C HIS A 44 -1.246 -9.467 12.653 1.00 0.05 C ATOM 674 O HIS A 44 -1.915 -10.420 13.050 1.00 0.20 O ATOM 675 CB HIS A 44 1.201 -9.129 13.103 1.00 0.08 C ATOM 676 CG HIS A 44 1.028 -9.632 14.504 1.00 0.11 C ATOM 677 ND1 HIS A 44 0.402 -8.905 15.494 1.00 0.27 N ATOM 678 CD2 HIS A 44 1.399 -10.799 15.078 1.00 0.29 C ATOM 679 CE1 HIS A 44 0.400 -9.600 16.613 1.00 0.38 C ATOM 680 NE2 HIS A 44 0.995 -10.755 16.386 1.00 0.40 N ATOM 0 H HIS A 44 1.088 -8.349 10.783 1.00 0.02 H new ATOM 0 HA HIS A 44 0.315 -10.757 11.991 1.00 0.04 H new ATOM 0 HB2 HIS A 44 2.201 -9.389 12.755 1.00 0.08 H new ATOM 0 HB3 HIS A 44 1.138 -8.041 13.108 1.00 0.08 H new ATOM 0 HD2 HIS A 44 1.917 -11.614 14.595 1.00 0.29 H new ATOM 0 HE1 HIS A 44 -0.018 -9.279 17.556 1.00 0.38 H new ATOM 0 HE2 HIS A 44 1.132 -11.496 17.074 1.00 0.40 H new ATOM 689 N GLU A 45 -1.697 -8.217 12.661 1.00 0.16 N ATOM 690 CA GLU A 45 -3.022 -7.881 13.178 1.00 0.15 C ATOM 691 C GLU A 45 -4.150 -8.458 12.320 1.00 0.15 C ATOM 692 O GLU A 45 -5.206 -8.825 12.840 1.00 0.17 O ATOM 693 CB GLU A 45 -3.188 -6.358 13.293 1.00 0.12 C ATOM 694 CG GLU A 45 -2.977 -5.611 11.983 1.00 0.09 C ATOM 695 CD GLU A 45 -3.564 -4.217 12.000 1.00 0.12 C ATOM 696 OE1 GLU A 45 -4.715 -4.057 12.454 1.00 0.16 O ATOM 697 OE2 GLU A 45 -2.885 -3.275 11.541 1.00 0.21 O1- ATOM 0 H GLU A 45 -1.165 -7.418 12.315 1.00 0.16 H new ATOM 0 HA GLU A 45 -3.094 -8.334 14.167 1.00 0.15 H new ATOM 0 HB2 GLU A 45 -4.188 -6.139 13.667 1.00 0.12 H new ATOM 0 HB3 GLU A 45 -2.482 -5.981 14.032 1.00 0.12 H new ATOM 0 HG2 GLU A 45 -1.909 -5.548 11.775 1.00 0.09 H new ATOM 0 HG3 GLU A 45 -3.427 -6.180 11.169 1.00 0.09 H new ATOM 704 N PHE A 46 -3.925 -8.563 11.019 1.00 0.15 N ATOM 705 CA PHE A 46 -4.956 -9.071 10.126 1.00 0.14 C ATOM 706 C PHE A 46 -4.961 -10.597 10.057 1.00 0.16 C ATOM 707 O PHE A 46 -5.961 -11.195 9.654 1.00 0.17 O ATOM 708 CB PHE A 46 -4.815 -8.451 8.733 1.00 0.14 C ATOM 709 CG PHE A 46 -5.367 -7.056 8.664 1.00 0.15 C ATOM 710 CD1 PHE A 46 -6.711 -6.821 8.901 1.00 0.13 C ATOM 711 CD2 PHE A 46 -4.546 -5.977 8.374 1.00 0.18 C ATOM 712 CE1 PHE A 46 -7.226 -5.540 8.853 1.00 0.14 C ATOM 713 CE2 PHE A 46 -5.056 -4.694 8.321 1.00 0.19 C ATOM 714 CZ PHE A 46 -6.397 -4.476 8.561 1.00 0.17 C ATOM 0 H PHE A 46 -3.050 -8.307 10.562 1.00 0.15 H new ATOM 0 HA PHE A 46 -5.920 -8.775 10.539 1.00 0.14 H new ATOM 0 HB2 PHE A 46 -3.762 -8.436 8.451 1.00 0.14 H new ATOM 0 HB3 PHE A 46 -5.331 -9.078 8.006 1.00 0.14 H new ATOM 0 HD1 PHE A 46 -7.365 -7.650 9.126 1.00 0.13 H new ATOM 0 HD2 PHE A 46 -3.495 -6.141 8.187 1.00 0.18 H new ATOM 0 HE1 PHE A 46 -8.276 -5.371 9.044 1.00 0.14 H new ATOM 0 HE2 PHE A 46 -4.406 -3.863 8.092 1.00 0.19 H new ATOM 0 HZ PHE A 46 -6.798 -3.474 8.520 1.00 0.17 H new ATOM 724 N SER A 47 -3.862 -11.234 10.459 1.00 0.21 N ATOM 725 CA SER A 47 -3.789 -12.695 10.447 1.00 0.23 C ATOM 726 C SER A 47 -4.807 -13.273 11.424 1.00 0.21 C ATOM 727 O SER A 47 -5.396 -14.325 11.184 1.00 0.32 O ATOM 728 CB SER A 47 -2.384 -13.182 10.824 1.00 0.25 C ATOM 729 OG SER A 47 -1.432 -12.833 9.833 1.00 0.76 O ATOM 0 H SER A 47 -3.019 -10.768 10.794 1.00 0.21 H new ATOM 0 HA SER A 47 -4.013 -13.036 9.436 1.00 0.23 H new ATOM 0 HB2 SER A 47 -2.091 -12.748 11.780 1.00 0.25 H new ATOM 0 HB3 SER A 47 -2.395 -14.264 10.955 1.00 0.25 H new ATOM 0 HG SER A 47 -1.517 -11.881 9.618 1.00 0.76 H new ATOM 735 N GLU A 48 -5.036 -12.538 12.509 1.00 0.09 N ATOM 736 CA GLU A 48 -5.971 -12.952 13.543 1.00 0.08 C ATOM 737 C GLU A 48 -7.419 -12.846 13.066 1.00 0.10 C ATOM 738 O GLU A 48 -8.312 -13.487 13.621 1.00 0.07 O ATOM 739 CB GLU A 48 -5.771 -12.105 14.800 1.00 0.11 C ATOM 740 CG GLU A 48 -4.358 -12.167 15.358 1.00 0.06 C ATOM 741 CD GLU A 48 -4.202 -11.361 16.627 1.00 0.28 C ATOM 742 OE1 GLU A 48 -4.069 -10.125 16.538 1.00 0.49 O1- ATOM 743 OE2 GLU A 48 -4.215 -11.958 17.723 1.00 0.61 O ATOM 0 H GLU A 48 -4.580 -11.644 12.693 1.00 0.09 H new ATOM 0 HA GLU A 48 -5.771 -13.998 13.775 1.00 0.08 H new ATOM 0 HB2 GLU A 48 -6.017 -11.068 14.572 1.00 0.11 H new ATOM 0 HB3 GLU A 48 -6.470 -12.438 15.567 1.00 0.11 H new ATOM 0 HG2 GLU A 48 -4.094 -13.206 15.556 1.00 0.06 H new ATOM 0 HG3 GLU A 48 -3.658 -11.798 14.608 1.00 0.06 H new ATOM 750 N LYS A 49 -7.645 -12.044 12.032 1.00 0.14 N ATOM 751 CA LYS A 49 -8.986 -11.860 11.492 1.00 0.18 C ATOM 752 C LYS A 49 -9.403 -13.074 10.671 1.00 0.27 C ATOM 753 O LYS A 49 -10.588 -13.390 10.582 1.00 0.38 O ATOM 754 CB LYS A 49 -9.060 -10.594 10.633 1.00 0.12 C ATOM 755 CG LYS A 49 -8.779 -9.300 11.395 1.00 0.20 C ATOM 756 CD LYS A 49 -9.917 -8.912 12.337 1.00 0.43 C ATOM 757 CE LYS A 49 -11.112 -8.328 11.589 1.00 0.64 C ATOM 758 NZ LYS A 49 -12.201 -7.914 12.516 1.00 0.88 N1+ ATOM 0 H LYS A 49 -6.919 -11.512 11.552 1.00 0.14 H new ATOM 0 HA LYS A 49 -9.674 -11.749 12.330 1.00 0.18 H new ATOM 0 HB2 LYS A 49 -8.346 -10.682 9.814 1.00 0.12 H new ATOM 0 HB3 LYS A 49 -10.052 -10.530 10.185 1.00 0.12 H new ATOM 0 HG2 LYS A 49 -7.860 -9.414 11.970 1.00 0.20 H new ATOM 0 HG3 LYS A 49 -8.611 -8.492 10.682 1.00 0.20 H new ATOM 0 HD2 LYS A 49 -10.236 -9.790 12.899 1.00 0.43 H new ATOM 0 HD3 LYS A 49 -9.554 -8.184 13.062 1.00 0.43 H new ATOM 0 HE2 LYS A 49 -10.788 -7.468 11.003 1.00 0.64 H new ATOM 0 HE3 LYS A 49 -11.496 -9.067 10.885 1.00 0.64 H new ATOM 0 HZ1 LYS A 49 -12.994 -7.523 11.968 1.00 0.88 H new ATOM 0 HZ2 LYS A 49 -12.528 -8.739 13.057 1.00 0.88 H new ATOM 0 HZ3 LYS A 49 -11.843 -7.190 13.171 1.00 0.88 H new ATOM 772 N GLN A 50 -8.411 -13.754 10.091 1.00 0.30 N ATOM 773 CA GLN A 50 -8.641 -14.945 9.269 1.00 0.41 C ATOM 774 C GLN A 50 -9.566 -14.641 8.090 1.00 0.29 C ATOM 775 O GLN A 50 -10.749 -14.980 8.116 1.00 0.47 O ATOM 776 CB GLN A 50 -9.225 -16.083 10.113 1.00 0.63 C ATOM 777 CG GLN A 50 -8.294 -16.563 11.212 1.00 0.78 C ATOM 778 CD GLN A 50 -8.961 -17.535 12.165 1.00 0.93 C ATOM 779 OE1 GLN A 50 -9.843 -18.302 11.778 1.00 0.94 O ATOM 780 NE2 GLN A 50 -8.543 -17.512 13.417 1.00 1.07 N ATOM 0 H GLN A 50 -7.428 -13.496 10.177 1.00 0.30 H new ATOM 0 HA GLN A 50 -7.675 -15.258 8.872 1.00 0.41 H new ATOM 0 HB2 GLN A 50 -10.161 -15.749 10.561 1.00 0.63 H new ATOM 0 HB3 GLN A 50 -9.466 -16.922 9.460 1.00 0.63 H new ATOM 0 HG2 GLN A 50 -7.425 -17.042 10.762 1.00 0.78 H new ATOM 0 HG3 GLN A 50 -7.929 -15.703 11.774 1.00 0.78 H new ATOM 0 HE21 GLN A 50 -7.810 -16.861 13.698 1.00 1.07 H new ATOM 0 HE22 GLN A 50 -8.953 -18.145 14.103 1.00 1.07 H new ATOM 789 N PRO A 51 -9.040 -13.985 7.042 1.00 0.11 N ATOM 790 CA PRO A 51 -9.833 -13.640 5.858 1.00 0.09 C ATOM 791 C PRO A 51 -10.388 -14.873 5.142 1.00 0.05 C ATOM 792 O PRO A 51 -11.606 -15.052 5.053 1.00 0.20 O ATOM 793 CB PRO A 51 -8.851 -12.888 4.947 1.00 0.32 C ATOM 794 CG PRO A 51 -7.485 -13.173 5.485 1.00 0.44 C ATOM 795 CD PRO A 51 -7.648 -13.515 6.941 1.00 0.34 C ATOM 0 HA PRO A 51 -10.708 -13.049 6.129 1.00 0.09 H new ATOM 0 HB2 PRO A 51 -8.941 -13.225 3.914 1.00 0.32 H new ATOM 0 HB3 PRO A 51 -9.056 -11.818 4.952 1.00 0.32 H new ATOM 0 HG2 PRO A 51 -7.022 -13.999 4.944 1.00 0.44 H new ATOM 0 HG3 PRO A 51 -6.834 -12.307 5.363 1.00 0.44 H new ATOM 0 HD2 PRO A 51 -6.943 -14.286 7.251 1.00 0.34 H new ATOM 0 HD3 PRO A 51 -7.472 -12.647 7.577 1.00 0.34 H new ATOM 803 N MET A 52 -9.497 -15.715 4.636 1.00 0.10 N ATOM 804 CA MET A 52 -9.897 -16.926 3.921 1.00 0.14 C ATOM 805 C MET A 52 -9.105 -18.130 4.418 1.00 0.14 C ATOM 806 O MET A 52 -9.008 -19.144 3.727 1.00 0.16 O ATOM 807 CB MET A 52 -9.678 -16.751 2.415 1.00 0.25 C ATOM 808 CG MET A 52 -10.387 -15.542 1.823 1.00 0.17 C ATOM 809 SD MET A 52 -12.181 -15.726 1.792 1.00 0.22 S ATOM 810 CE MET A 52 -12.690 -14.047 1.439 1.00 1.11 C ATOM 0 H MET A 52 -8.488 -15.583 4.706 1.00 0.10 H new ATOM 0 HA MET A 52 -10.956 -17.099 4.111 1.00 0.14 H new ATOM 0 HB2 MET A 52 -8.609 -16.663 2.222 1.00 0.25 H new ATOM 0 HB3 MET A 52 -10.022 -17.649 1.901 1.00 0.25 H new ATOM 0 HG2 MET A 52 -10.128 -14.656 2.402 1.00 0.17 H new ATOM 0 HG3 MET A 52 -10.026 -15.377 0.808 1.00 0.17 H new ATOM 0 HE1 MET A 52 -13.416 -13.723 2.184 1.00 1.11 H new ATOM 0 HE2 MET A 52 -11.821 -13.390 1.469 1.00 1.11 H new ATOM 0 HE3 MET A 52 -13.143 -14.005 0.449 1.00 1.11 H new ATOM 820 N LEU A 53 -8.545 -18.002 5.624 1.00 0.15 N ATOM 821 CA LEU A 53 -7.746 -19.064 6.245 1.00 0.17 C ATOM 822 C LEU A 53 -6.637 -19.554 5.315 1.00 0.20 C ATOM 823 O LEU A 53 -6.555 -20.740 4.998 1.00 0.41 O ATOM 824 CB LEU A 53 -8.640 -20.238 6.666 1.00 0.19 C ATOM 825 CG LEU A 53 -9.476 -20.012 7.929 1.00 0.36 C ATOM 826 CD1 LEU A 53 -10.480 -21.137 8.112 1.00 0.31 C ATOM 827 CD2 LEU A 53 -8.584 -19.903 9.152 1.00 0.51 C ATOM 0 H LEU A 53 -8.632 -17.162 6.197 1.00 0.15 H new ATOM 0 HA LEU A 53 -7.276 -18.640 7.132 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -9.314 -20.472 5.842 1.00 0.19 H new ATOM 0 HB3 LEU A 53 -8.010 -21.114 6.821 1.00 0.19 H new ATOM 0 HG LEU A 53 -10.019 -19.074 7.812 1.00 0.36 H new ATOM 0 HD11 LEU A 53 -11.065 -20.959 9.014 1.00 0.31 H new ATOM 0 HD12 LEU A 53 -11.146 -21.175 7.250 1.00 0.31 H new ATOM 0 HD13 LEU A 53 -9.951 -22.086 8.203 1.00 0.31 H new ATOM 0 HD21 LEU A 53 -9.199 -19.743 10.038 1.00 0.51 H new ATOM 0 HD22 LEU A 53 -8.013 -20.824 9.269 1.00 0.51 H new ATOM 0 HD23 LEU A 53 -7.899 -19.064 9.029 1.00 0.51 H new ATOM 839 N ASP A 54 -5.780 -18.634 4.888 1.00 0.04 N ATOM 840 CA ASP A 54 -4.679 -18.965 3.995 1.00 0.08 C ATOM 841 C ASP A 54 -3.630 -17.857 4.035 1.00 0.06 C ATOM 842 O ASP A 54 -3.971 -16.677 4.149 1.00 0.07 O ATOM 843 CB ASP A 54 -5.198 -19.183 2.571 1.00 0.12 C ATOM 844 CG ASP A 54 -4.117 -19.617 1.606 1.00 0.14 C ATOM 845 OD1 ASP A 54 -3.170 -20.309 2.035 1.00 0.47 O1- ATOM 846 OD2 ASP A 54 -4.213 -19.270 0.411 1.00 0.21 O ATOM 0 H ASP A 54 -5.828 -17.649 5.148 1.00 0.04 H new ATOM 0 HA ASP A 54 -4.212 -19.892 4.327 1.00 0.08 H new ATOM 0 HB2 ASP A 54 -5.985 -19.937 2.589 1.00 0.12 H new ATOM 0 HB3 ASP A 54 -5.650 -18.259 2.210 1.00 0.12 H new ATOM 851 N VAL A 55 -2.360 -18.239 3.934 1.00 0.06 N ATOM 852 CA VAL A 55 -1.249 -17.288 4.008 1.00 0.07 C ATOM 853 C VAL A 55 -1.259 -16.260 2.864 1.00 0.06 C ATOM 854 O VAL A 55 -1.352 -15.060 3.123 1.00 0.06 O ATOM 855 CB VAL A 55 0.120 -18.008 4.060 1.00 0.09 C ATOM 856 CG1 VAL A 55 1.244 -17.017 4.336 1.00 0.08 C ATOM 857 CG2 VAL A 55 0.107 -19.109 5.112 1.00 0.13 C ATOM 0 H VAL A 55 -2.071 -19.208 3.800 1.00 0.06 H new ATOM 0 HA VAL A 55 -1.395 -16.741 4.940 1.00 0.07 H new ATOM 0 HB VAL A 55 0.300 -18.464 3.087 1.00 0.09 H new ATOM 0 HG11 VAL A 55 2.196 -17.546 4.368 1.00 0.08 H new ATOM 0 HG12 VAL A 55 1.272 -16.268 3.544 1.00 0.08 H new ATOM 0 HG13 VAL A 55 1.069 -16.526 5.294 1.00 0.08 H new ATOM 0 HG21 VAL A 55 1.078 -19.603 5.133 1.00 0.13 H new ATOM 0 HG22 VAL A 55 -0.101 -18.675 6.090 1.00 0.13 H new ATOM 0 HG23 VAL A 55 -0.666 -19.838 4.867 1.00 0.13 H new ATOM 867 N PRO A 56 -1.162 -16.686 1.580 1.00 0.05 N ATOM 868 CA PRO A 56 -1.160 -15.743 0.452 1.00 0.04 C ATOM 869 C PRO A 56 -2.425 -14.890 0.399 1.00 0.04 C ATOM 870 O PRO A 56 -2.393 -13.740 -0.044 1.00 0.04 O ATOM 871 CB PRO A 56 -1.060 -16.640 -0.790 1.00 0.05 C ATOM 872 CG PRO A 56 -1.433 -18.007 -0.323 1.00 0.06 C ATOM 873 CD PRO A 56 -1.021 -18.079 1.120 1.00 0.06 C ATOM 0 HA PRO A 56 -0.341 -15.029 0.534 1.00 0.04 H new ATOM 0 HB2 PRO A 56 -1.731 -16.297 -1.577 1.00 0.05 H new ATOM 0 HB3 PRO A 56 -0.051 -16.628 -1.203 1.00 0.05 H new ATOM 0 HG2 PRO A 56 -2.504 -18.178 -0.432 1.00 0.06 H new ATOM 0 HG3 PRO A 56 -0.927 -18.772 -0.912 1.00 0.06 H new ATOM 0 HD2 PRO A 56 -1.659 -18.757 1.687 1.00 0.06 H new ATOM 0 HD3 PRO A 56 0.003 -18.438 1.229 1.00 0.06 H new ATOM 881 N LYS A 57 -3.529 -15.454 0.870 1.00 0.05 N ATOM 882 CA LYS A 57 -4.810 -14.752 0.885 1.00 0.05 C ATOM 883 C LYS A 57 -4.795 -13.646 1.931 1.00 0.06 C ATOM 884 O LYS A 57 -5.510 -12.654 1.815 1.00 0.08 O ATOM 885 CB LYS A 57 -5.953 -15.725 1.167 1.00 0.06 C ATOM 886 CG LYS A 57 -6.510 -16.429 -0.071 1.00 0.09 C ATOM 887 CD LYS A 57 -5.425 -16.762 -1.087 1.00 0.11 C ATOM 888 CE LYS A 57 -5.890 -17.812 -2.082 1.00 0.12 C ATOM 889 NZ LYS A 57 -6.139 -19.125 -1.429 1.00 0.10 N1+ ATOM 0 H LYS A 57 -3.565 -16.400 1.249 1.00 0.05 H new ATOM 0 HA LYS A 57 -4.968 -14.306 -0.097 1.00 0.05 H new ATOM 0 HB2 LYS A 57 -5.605 -16.480 1.872 1.00 0.06 H new ATOM 0 HB3 LYS A 57 -6.762 -15.182 1.655 1.00 0.06 H new ATOM 0 HG2 LYS A 57 -7.014 -17.347 0.232 1.00 0.09 H new ATOM 0 HG3 LYS A 57 -7.261 -15.793 -0.540 1.00 0.09 H new ATOM 0 HD2 LYS A 57 -5.137 -15.857 -1.621 1.00 0.11 H new ATOM 0 HD3 LYS A 57 -4.537 -17.122 -0.567 1.00 0.11 H new ATOM 0 HE2 LYS A 57 -6.803 -17.470 -2.570 1.00 0.12 H new ATOM 0 HE3 LYS A 57 -5.138 -17.931 -2.862 1.00 0.12 H new ATOM 0 HZ1 LYS A 57 -5.811 -19.890 -2.052 1.00 0.10 H new ATOM 0 HZ2 LYS A 57 -5.623 -19.167 -0.527 1.00 0.10 H new ATOM 0 HZ3 LYS A 57 -7.158 -19.237 -1.251 1.00 0.10 H new ATOM 903 N LEU A 58 -3.975 -13.831 2.956 1.00 0.05 N ATOM 904 CA LEU A 58 -3.845 -12.850 4.022 1.00 0.06 C ATOM 905 C LEU A 58 -2.899 -11.739 3.571 1.00 0.06 C ATOM 906 O LEU A 58 -3.145 -10.558 3.811 1.00 0.08 O ATOM 907 CB LEU A 58 -3.324 -13.547 5.297 1.00 0.06 C ATOM 908 CG LEU A 58 -3.148 -12.684 6.565 1.00 0.11 C ATOM 909 CD1 LEU A 58 -1.789 -12.004 6.583 1.00 0.07 C ATOM 910 CD2 LEU A 58 -4.262 -11.655 6.705 1.00 0.17 C ATOM 0 H LEU A 58 -3.387 -14.657 3.071 1.00 0.05 H new ATOM 0 HA LEU A 58 -4.814 -12.405 4.248 1.00 0.06 H new ATOM 0 HB2 LEU A 58 -4.008 -14.361 5.538 1.00 0.06 H new ATOM 0 HB3 LEU A 58 -2.360 -13.999 5.062 1.00 0.06 H new ATOM 0 HG LEU A 58 -3.206 -13.357 7.421 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -1.695 -11.404 7.488 1.00 0.07 H new ATOM 0 HD12 LEU A 58 -1.004 -12.760 6.565 1.00 0.07 H new ATOM 0 HD13 LEU A 58 -1.693 -11.360 5.709 1.00 0.07 H new ATOM 0 HD21 LEU A 58 -4.103 -11.067 7.609 1.00 0.17 H new ATOM 0 HD22 LEU A 58 -4.259 -10.995 5.838 1.00 0.17 H new ATOM 0 HD23 LEU A 58 -5.223 -12.165 6.768 1.00 0.17 H new ATOM 922 N ALA A 59 -1.840 -12.142 2.881 1.00 0.05 N ATOM 923 CA ALA A 59 -0.835 -11.211 2.383 1.00 0.06 C ATOM 924 C ALA A 59 -1.434 -10.188 1.418 1.00 0.08 C ATOM 925 O ALA A 59 -1.128 -8.997 1.496 1.00 0.11 O ATOM 926 CB ALA A 59 0.286 -11.979 1.707 1.00 0.06 C ATOM 0 H ALA A 59 -1.654 -13.118 2.651 1.00 0.05 H new ATOM 0 HA ALA A 59 -0.438 -10.660 3.235 1.00 0.06 H new ATOM 0 HB1 ALA A 59 1.035 -11.279 1.336 1.00 0.06 H new ATOM 0 HB2 ALA A 59 0.747 -12.657 2.425 1.00 0.06 H new ATOM 0 HB3 ALA A 59 -0.118 -12.553 0.873 1.00 0.06 H new ATOM 932 N VAL A 60 -2.294 -10.652 0.515 1.00 0.05 N ATOM 933 CA VAL A 60 -2.921 -9.754 -0.460 1.00 0.07 C ATOM 934 C VAL A 60 -3.971 -8.872 0.211 1.00 0.07 C ATOM 935 O VAL A 60 -4.245 -7.760 -0.245 1.00 0.08 O ATOM 936 CB VAL A 60 -3.577 -10.502 -1.647 1.00 0.07 C ATOM 937 CG1 VAL A 60 -2.553 -11.325 -2.410 1.00 0.07 C ATOM 938 CG2 VAL A 60 -4.723 -11.382 -1.181 1.00 0.08 C ATOM 0 H VAL A 60 -2.572 -11.630 0.435 1.00 0.05 H new ATOM 0 HA VAL A 60 -2.112 -9.142 -0.860 1.00 0.07 H new ATOM 0 HB VAL A 60 -3.982 -9.748 -2.322 1.00 0.07 H new ATOM 0 HG11 VAL A 60 -3.043 -11.839 -3.237 1.00 0.07 H new ATOM 0 HG12 VAL A 60 -1.776 -10.668 -2.800 1.00 0.07 H new ATOM 0 HG13 VAL A 60 -2.105 -12.060 -1.741 1.00 0.07 H new ATOM 0 HG21 VAL A 60 -5.161 -11.893 -2.038 1.00 0.08 H new ATOM 0 HG22 VAL A 60 -4.350 -12.120 -0.471 1.00 0.08 H new ATOM 0 HG23 VAL A 60 -5.482 -10.766 -0.699 1.00 0.08 H new ATOM 948 N LEU A 61 -4.540 -9.366 1.307 1.00 0.07 N ATOM 949 CA LEU A 61 -5.556 -8.623 2.038 1.00 0.08 C ATOM 950 C LEU A 61 -4.960 -7.347 2.611 1.00 0.08 C ATOM 951 O LEU A 61 -5.600 -6.299 2.617 1.00 0.08 O ATOM 952 CB LEU A 61 -6.143 -9.471 3.168 1.00 0.10 C ATOM 953 CG LEU A 61 -7.434 -8.923 3.781 1.00 0.10 C ATOM 954 CD1 LEU A 61 -8.642 -9.378 2.977 1.00 0.11 C ATOM 955 CD2 LEU A 61 -7.560 -9.354 5.236 1.00 0.07 C ATOM 0 H LEU A 61 -4.314 -10.277 1.706 1.00 0.07 H new ATOM 0 HA LEU A 61 -6.356 -8.368 1.343 1.00 0.08 H new ATOM 0 HB2 LEU A 61 -6.336 -10.474 2.787 1.00 0.10 H new ATOM 0 HB3 LEU A 61 -5.396 -9.567 3.956 1.00 0.10 H new ATOM 0 HG LEU A 61 -7.395 -7.834 3.750 1.00 0.10 H new ATOM 0 HD11 LEU A 61 -9.551 -8.979 3.428 1.00 0.11 H new ATOM 0 HD12 LEU A 61 -8.555 -9.015 1.953 1.00 0.11 H new ATOM 0 HD13 LEU A 61 -8.687 -10.467 2.973 1.00 0.11 H new ATOM 0 HD21 LEU A 61 -8.484 -8.955 5.655 1.00 0.07 H new ATOM 0 HD22 LEU A 61 -7.576 -10.442 5.293 1.00 0.07 H new ATOM 0 HD23 LEU A 61 -6.710 -8.974 5.803 1.00 0.07 H new ATOM 967 N THR A 62 -3.732 -7.442 3.089 1.00 0.10 N ATOM 968 CA THR A 62 -3.048 -6.292 3.649 1.00 0.11 C ATOM 969 C THR A 62 -2.623 -5.324 2.553 1.00 0.10 C ATOM 970 O THR A 62 -2.752 -4.111 2.701 1.00 0.13 O ATOM 971 CB THR A 62 -1.807 -6.728 4.444 1.00 0.13 C ATOM 972 OG1 THR A 62 -1.434 -8.061 4.071 1.00 0.12 O ATOM 973 CG2 THR A 62 -2.074 -6.674 5.931 1.00 0.15 C ATOM 0 H THR A 62 -3.188 -8.305 3.100 1.00 0.10 H new ATOM 0 HA THR A 62 -3.747 -5.791 4.318 1.00 0.11 H new ATOM 0 HB THR A 62 -0.993 -6.041 4.212 1.00 0.13 H new ATOM 0 HG1 THR A 62 -1.289 -8.101 3.103 1.00 0.12 H new ATOM 0 HG21 THR A 62 -1.181 -6.987 6.473 1.00 0.15 H new ATOM 0 HG22 THR A 62 -2.333 -5.655 6.217 1.00 0.15 H new ATOM 0 HG23 THR A 62 -2.900 -7.341 6.177 1.00 0.15 H new ATOM 981 N ALA A 63 -2.139 -5.879 1.445 1.00 0.08 N ATOM 982 CA ALA A 63 -1.675 -5.084 0.314 1.00 0.08 C ATOM 983 C ALA A 63 -2.763 -4.153 -0.213 1.00 0.07 C ATOM 984 O ALA A 63 -2.519 -2.970 -0.449 1.00 0.08 O ATOM 985 CB ALA A 63 -1.185 -6.001 -0.797 1.00 0.08 C ATOM 0 H ALA A 63 -2.058 -6.886 1.307 1.00 0.08 H new ATOM 0 HA ALA A 63 -0.852 -4.460 0.662 1.00 0.08 H new ATOM 0 HB1 ALA A 63 -0.840 -5.401 -1.639 1.00 0.08 H new ATOM 0 HB2 ALA A 63 -0.363 -6.614 -0.427 1.00 0.08 H new ATOM 0 HB3 ALA A 63 -2.001 -6.647 -1.122 1.00 0.08 H new ATOM 991 N VAL A 64 -3.964 -4.689 -0.375 1.00 0.07 N ATOM 992 CA VAL A 64 -5.076 -3.907 -0.891 1.00 0.08 C ATOM 993 C VAL A 64 -5.608 -2.910 0.144 1.00 0.09 C ATOM 994 O VAL A 64 -5.962 -1.788 -0.205 1.00 0.12 O ATOM 995 CB VAL A 64 -6.214 -4.819 -1.417 1.00 0.08 C ATOM 996 CG1 VAL A 64 -6.919 -5.550 -0.283 1.00 0.05 C ATOM 997 CG2 VAL A 64 -7.206 -4.016 -2.245 1.00 0.12 C ATOM 0 H VAL A 64 -4.192 -5.659 -0.157 1.00 0.07 H new ATOM 0 HA VAL A 64 -4.691 -3.329 -1.731 1.00 0.08 H new ATOM 0 HB VAL A 64 -5.761 -5.575 -2.059 1.00 0.08 H new ATOM 0 HG11 VAL A 64 -7.710 -6.179 -0.692 1.00 0.05 H new ATOM 0 HG12 VAL A 64 -6.201 -6.172 0.251 1.00 0.05 H new ATOM 0 HG13 VAL A 64 -7.352 -4.823 0.405 1.00 0.05 H new ATOM 0 HG21 VAL A 64 -7.997 -4.674 -2.605 1.00 0.12 H new ATOM 0 HG22 VAL A 64 -7.641 -3.229 -1.629 1.00 0.12 H new ATOM 0 HG23 VAL A 64 -6.692 -3.568 -3.095 1.00 0.12 H new ATOM 1007 N GLN A 65 -5.633 -3.301 1.418 1.00 0.08 N ATOM 1008 CA GLN A 65 -6.130 -2.413 2.467 1.00 0.09 C ATOM 1009 C GLN A 65 -5.211 -1.210 2.649 1.00 0.07 C ATOM 1010 O GLN A 65 -5.678 -0.069 2.733 1.00 0.12 O ATOM 1011 CB GLN A 65 -6.294 -3.165 3.784 1.00 0.10 C ATOM 1012 CG GLN A 65 -7.520 -4.066 3.800 1.00 0.10 C ATOM 1013 CD GLN A 65 -7.704 -4.777 5.122 1.00 0.24 C ATOM 1014 OE1 GLN A 65 -7.068 -5.927 5.263 1.00 0.81 O flip ATOM 1015 NE2 GLN A 65 -8.412 -4.297 6.005 1.00 0.31 N flip ATOM 0 H GLN A 65 -5.319 -4.215 1.745 1.00 0.08 H new ATOM 0 HA GLN A 65 -7.109 -2.048 2.156 1.00 0.09 H new ATOM 0 HB2 GLN A 65 -5.404 -3.767 3.967 1.00 0.10 H new ATOM 0 HB3 GLN A 65 -6.366 -2.447 4.601 1.00 0.10 H new ATOM 0 HG2 GLN A 65 -8.407 -3.470 3.586 1.00 0.10 H new ATOM 0 HG3 GLN A 65 -7.433 -4.805 3.004 1.00 0.10 H new ATOM 0 HE21 GLN A 65 -8.884 -3.406 5.852 1.00 0.31 H new ATOM 0 HE22 GLN A 65 -8.527 -4.790 6.891 1.00 0.31 H new ATOM 1024 N ILE A 66 -3.906 -1.469 2.715 1.00 0.02 N ATOM 1025 CA ILE A 66 -2.918 -0.404 2.852 1.00 0.03 C ATOM 1026 C ILE A 66 -3.055 0.576 1.687 1.00 0.05 C ATOM 1027 O ILE A 66 -2.986 1.794 1.864 1.00 0.18 O ATOM 1028 CB ILE A 66 -1.477 -0.973 2.894 1.00 0.10 C ATOM 1029 CG1 ILE A 66 -1.259 -1.758 4.194 1.00 0.74 C ATOM 1030 CG2 ILE A 66 -0.446 0.142 2.757 1.00 0.71 C ATOM 1031 CD1 ILE A 66 0.024 -2.565 4.221 1.00 1.29 C ATOM 0 H ILE A 66 -3.510 -2.408 2.676 1.00 0.02 H new ATOM 0 HA ILE A 66 -3.103 0.114 3.793 1.00 0.03 H new ATOM 0 HB ILE A 66 -1.348 -1.651 2.050 1.00 0.10 H new ATOM 0 HG12 ILE A 66 -1.254 -1.060 5.031 1.00 0.74 H new ATOM 0 HG13 ILE A 66 -2.103 -2.431 4.345 1.00 0.74 H new ATOM 0 HG21 ILE A 66 0.557 -0.284 2.790 1.00 0.71 H new ATOM 0 HG22 ILE A 66 -0.591 0.657 1.807 1.00 0.71 H new ATOM 0 HG23 ILE A 66 -0.566 0.851 3.576 1.00 0.71 H new ATOM 0 HD11 ILE A 66 0.104 -3.090 5.173 1.00 1.29 H new ATOM 0 HD12 ILE A 66 0.015 -3.289 3.406 1.00 1.29 H new ATOM 0 HD13 ILE A 66 0.877 -1.897 4.103 1.00 1.29 H new ATOM 1043 N ALA A 67 -3.290 0.021 0.504 1.00 0.07 N ATOM 1044 CA ALA A 67 -3.451 0.811 -0.705 1.00 0.05 C ATOM 1045 C ALA A 67 -4.636 1.767 -0.595 1.00 0.04 C ATOM 1046 O ALA A 67 -4.501 2.956 -0.871 1.00 0.03 O ATOM 1047 CB ALA A 67 -3.620 -0.104 -1.908 1.00 0.06 C ATOM 0 H ALA A 67 -3.374 -0.985 0.359 1.00 0.07 H new ATOM 0 HA ALA A 67 -2.551 1.412 -0.836 1.00 0.05 H new ATOM 0 HB1 ALA A 67 -3.740 0.498 -2.809 1.00 0.06 H new ATOM 0 HB2 ALA A 67 -2.739 -0.738 -2.010 1.00 0.06 H new ATOM 0 HB3 ALA A 67 -4.502 -0.729 -1.769 1.00 0.06 H new ATOM 1053 N SER A 68 -5.789 1.252 -0.175 1.00 0.05 N ATOM 1054 CA SER A 68 -6.994 2.071 -0.052 1.00 0.07 C ATOM 1055 C SER A 68 -6.829 3.190 0.978 1.00 0.08 C ATOM 1056 O SER A 68 -7.170 4.343 0.708 1.00 0.12 O ATOM 1057 CB SER A 68 -8.196 1.199 0.319 1.00 0.07 C ATOM 1058 OG SER A 68 -7.786 0.023 0.992 1.00 0.04 O ATOM 0 H SER A 68 -5.915 0.274 0.086 1.00 0.05 H new ATOM 0 HA SER A 68 -7.165 2.536 -1.023 1.00 0.07 H new ATOM 0 HB2 SER A 68 -8.878 1.765 0.953 1.00 0.07 H new ATOM 0 HB3 SER A 68 -8.747 0.932 -0.583 1.00 0.07 H new ATOM 0 HG SER A 68 -7.122 0.252 1.676 1.00 0.04 H new ATOM 1064 N GLU A 69 -6.285 2.852 2.144 1.00 0.08 N ATOM 1065 CA GLU A 69 -6.095 3.831 3.213 1.00 0.14 C ATOM 1066 C GLU A 69 -5.167 4.964 2.779 1.00 0.10 C ATOM 1067 O GLU A 69 -5.319 6.105 3.215 1.00 0.10 O ATOM 1068 CB GLU A 69 -5.548 3.145 4.466 1.00 0.19 C ATOM 1069 CG GLU A 69 -6.603 2.369 5.240 1.00 0.29 C ATOM 1070 CD GLU A 69 -7.681 3.266 5.822 1.00 0.63 C ATOM 1071 OE1 GLU A 69 -7.434 4.480 5.970 1.00 0.82 O ATOM 1072 OE2 GLU A 69 -8.778 2.758 6.146 1.00 0.79 O1- ATOM 0 H GLU A 69 -5.968 1.910 2.373 1.00 0.08 H new ATOM 0 HA GLU A 69 -7.067 4.269 3.441 1.00 0.14 H new ATOM 0 HB2 GLU A 69 -4.746 2.465 4.178 1.00 0.19 H new ATOM 0 HB3 GLU A 69 -5.108 3.898 5.120 1.00 0.19 H new ATOM 0 HG2 GLU A 69 -7.065 1.634 4.580 1.00 0.29 H new ATOM 0 HG3 GLU A 69 -6.122 1.816 6.047 1.00 0.29 H new ATOM 1079 N TYR A 70 -4.208 4.654 1.920 1.00 0.07 N ATOM 1080 CA TYR A 70 -3.280 5.667 1.439 1.00 0.04 C ATOM 1081 C TYR A 70 -3.808 6.344 0.174 1.00 0.03 C ATOM 1082 O TYR A 70 -3.427 7.470 -0.143 1.00 0.04 O ATOM 1083 CB TYR A 70 -1.901 5.058 1.196 1.00 0.05 C ATOM 1084 CG TYR A 70 -1.050 4.991 2.446 1.00 0.18 C ATOM 1085 CD1 TYR A 70 -0.382 6.115 2.914 1.00 0.36 C ATOM 1086 CD2 TYR A 70 -0.925 3.810 3.164 1.00 0.37 C ATOM 1087 CE1 TYR A 70 0.389 6.061 4.059 1.00 0.47 C ATOM 1088 CE2 TYR A 70 -0.155 3.748 4.311 1.00 0.46 C ATOM 1089 CZ TYR A 70 0.500 4.875 4.755 1.00 0.44 C ATOM 1090 OH TYR A 70 1.264 4.821 5.901 1.00 0.58 O ATOM 0 H TYR A 70 -4.052 3.719 1.544 1.00 0.07 H new ATOM 0 HA TYR A 70 -3.186 6.432 2.209 1.00 0.04 H new ATOM 0 HB2 TYR A 70 -2.021 4.053 0.792 1.00 0.05 H new ATOM 0 HB3 TYR A 70 -1.380 5.645 0.440 1.00 0.05 H new ATOM 0 HD1 TYR A 70 -0.467 7.046 2.374 1.00 0.36 H new ATOM 0 HD2 TYR A 70 -1.438 2.924 2.821 1.00 0.37 H new ATOM 0 HE1 TYR A 70 0.903 6.944 4.408 1.00 0.47 H new ATOM 0 HE2 TYR A 70 -0.068 2.820 4.856 1.00 0.46 H new ATOM 0 HH TYR A 70 1.236 3.914 6.270 1.00 0.58 H new ATOM 1100 N LEU A 71 -4.701 5.663 -0.539 1.00 0.07 N ATOM 1101 CA LEU A 71 -5.276 6.214 -1.764 1.00 0.11 C ATOM 1102 C LEU A 71 -6.233 7.352 -1.440 1.00 0.12 C ATOM 1103 O LEU A 71 -6.322 8.329 -2.179 1.00 0.16 O ATOM 1104 CB LEU A 71 -6.000 5.138 -2.580 1.00 0.13 C ATOM 1105 CG LEU A 71 -5.168 4.501 -3.713 1.00 0.14 C ATOM 1106 CD1 LEU A 71 -5.814 3.220 -4.224 1.00 0.12 C ATOM 1107 CD2 LEU A 71 -4.978 5.477 -4.874 1.00 0.23 C ATOM 0 H LEU A 71 -5.041 4.734 -0.292 1.00 0.07 H new ATOM 0 HA LEU A 71 -4.454 6.599 -2.367 1.00 0.11 H new ATOM 0 HB2 LEU A 71 -6.326 4.349 -1.902 1.00 0.13 H new ATOM 0 HB3 LEU A 71 -6.899 5.577 -3.014 1.00 0.13 H new ATOM 0 HG LEU A 71 -4.192 4.257 -3.293 1.00 0.14 H new ATOM 0 HD11 LEU A 71 -5.203 2.797 -5.021 1.00 0.12 H new ATOM 0 HD12 LEU A 71 -5.893 2.502 -3.408 1.00 0.12 H new ATOM 0 HD13 LEU A 71 -6.809 3.443 -4.609 1.00 0.12 H new ATOM 0 HD21 LEU A 71 -4.388 5.001 -5.657 1.00 0.23 H new ATOM 0 HD22 LEU A 71 -5.951 5.760 -5.274 1.00 0.23 H new ATOM 0 HD23 LEU A 71 -4.459 6.367 -4.520 1.00 0.23 H new ATOM 1119 N LYS A 72 -6.951 7.229 -0.331 1.00 0.13 N ATOM 1120 CA LYS A 72 -7.879 8.269 0.076 1.00 0.16 C ATOM 1121 C LYS A 72 -7.103 9.472 0.614 1.00 0.16 C ATOM 1122 O LYS A 72 -7.612 10.593 0.651 1.00 0.30 O ATOM 1123 CB LYS A 72 -8.873 7.739 1.118 1.00 0.18 C ATOM 1124 CG LYS A 72 -8.239 7.336 2.446 1.00 0.18 C ATOM 1125 CD LYS A 72 -8.462 8.394 3.518 1.00 0.22 C ATOM 1126 CE LYS A 72 -9.927 8.492 3.916 1.00 0.25 C ATOM 1127 NZ LYS A 72 -10.192 9.670 4.780 1.00 0.24 N1+ ATOM 0 H LYS A 72 -6.908 6.426 0.296 1.00 0.13 H new ATOM 0 HA LYS A 72 -8.456 8.587 -0.792 1.00 0.16 H new ATOM 0 HB2 LYS A 72 -9.626 8.504 1.306 1.00 0.18 H new ATOM 0 HB3 LYS A 72 -9.393 6.876 0.701 1.00 0.18 H new ATOM 0 HG2 LYS A 72 -8.660 6.387 2.778 1.00 0.18 H new ATOM 0 HG3 LYS A 72 -7.170 7.179 2.306 1.00 0.18 H new ATOM 0 HD2 LYS A 72 -7.862 8.155 4.396 1.00 0.22 H new ATOM 0 HD3 LYS A 72 -8.119 9.361 3.151 1.00 0.22 H new ATOM 0 HE2 LYS A 72 -10.543 8.555 3.019 1.00 0.25 H new ATOM 0 HE3 LYS A 72 -10.221 7.584 4.442 1.00 0.25 H new ATOM 0 HZ1 LYS A 72 -11.202 9.699 5.028 1.00 0.24 H new ATOM 0 HZ2 LYS A 72 -9.624 9.598 5.648 1.00 0.24 H new ATOM 0 HZ3 LYS A 72 -9.936 10.539 4.270 1.00 0.24 H new ATOM 1141 N LEU A 73 -5.856 9.225 1.011 1.00 0.03 N ATOM 1142 CA LEU A 73 -4.990 10.274 1.531 1.00 0.05 C ATOM 1143 C LEU A 73 -4.505 11.153 0.382 1.00 0.05 C ATOM 1144 O LEU A 73 -4.560 12.381 0.458 1.00 0.10 O ATOM 1145 CB LEU A 73 -3.801 9.665 2.286 1.00 0.14 C ATOM 1146 CG LEU A 73 -2.923 10.652 3.065 1.00 0.17 C ATOM 1147 CD1 LEU A 73 -3.733 11.388 4.125 1.00 0.18 C ATOM 1148 CD2 LEU A 73 -1.755 9.918 3.698 1.00 0.24 C ATOM 0 H LEU A 73 -5.424 8.302 0.981 1.00 0.03 H new ATOM 0 HA LEU A 73 -5.555 10.888 2.232 1.00 0.05 H new ATOM 0 HB2 LEU A 73 -4.182 8.920 2.984 1.00 0.14 H new ATOM 0 HB3 LEU A 73 -3.172 9.138 1.569 1.00 0.14 H new ATOM 0 HG LEU A 73 -2.537 11.395 2.367 1.00 0.17 H new ATOM 0 HD11 LEU A 73 -3.085 12.081 4.662 1.00 0.18 H new ATOM 0 HD12 LEU A 73 -4.540 11.943 3.646 1.00 0.18 H new ATOM 0 HD13 LEU A 73 -4.154 10.668 4.826 1.00 0.18 H new ATOM 0 HD21 LEU A 73 -1.136 10.626 4.249 1.00 0.24 H new ATOM 0 HD22 LEU A 73 -2.131 9.156 4.381 1.00 0.24 H new ATOM 0 HD23 LEU A 73 -1.158 9.444 2.919 1.00 0.24 H new ATOM 1160 N LYS A 74 -4.049 10.518 -0.695 1.00 0.10 N ATOM 1161 CA LYS A 74 -3.580 11.251 -1.867 1.00 0.18 C ATOM 1162 C LYS A 74 -4.758 11.934 -2.558 1.00 0.21 C ATOM 1163 O LYS A 74 -4.604 12.977 -3.191 1.00 0.29 O ATOM 1164 CB LYS A 74 -2.827 10.328 -2.843 1.00 0.23 C ATOM 1165 CG LYS A 74 -3.658 9.177 -3.403 1.00 0.11 C ATOM 1166 CD LYS A 74 -4.175 9.473 -4.805 1.00 0.18 C ATOM 1167 CE LYS A 74 -3.142 9.158 -5.876 1.00 0.26 C ATOM 1168 NZ LYS A 74 -3.709 9.293 -7.243 1.00 0.15 N1+ ATOM 0 H LYS A 74 -3.995 9.503 -0.780 1.00 0.10 H new ATOM 0 HA LYS A 74 -2.876 12.014 -1.536 1.00 0.18 H new ATOM 0 HB2 LYS A 74 -2.455 10.927 -3.674 1.00 0.23 H new ATOM 0 HB3 LYS A 74 -1.957 9.915 -2.333 1.00 0.23 H new ATOM 0 HG2 LYS A 74 -3.053 8.270 -3.424 1.00 0.11 H new ATOM 0 HG3 LYS A 74 -4.501 8.983 -2.740 1.00 0.11 H new ATOM 0 HD2 LYS A 74 -5.077 8.889 -4.989 1.00 0.18 H new ATOM 0 HD3 LYS A 74 -4.457 10.524 -4.872 1.00 0.18 H new ATOM 0 HE2 LYS A 74 -2.289 9.829 -5.768 1.00 0.26 H new ATOM 0 HE3 LYS A 74 -2.769 8.143 -5.735 1.00 0.26 H new ATOM 0 HZ1 LYS A 74 -2.976 9.071 -7.946 1.00 0.15 H new ATOM 0 HZ2 LYS A 74 -4.507 8.635 -7.354 1.00 0.15 H new ATOM 0 HZ3 LYS A 74 -4.042 10.268 -7.386 1.00 0.15 H new ATOM 1182 N GLU A 75 -5.937 11.336 -2.416 1.00 0.18 N ATOM 1183 CA GLU A 75 -7.157 11.876 -3.002 1.00 0.27 C ATOM 1184 C GLU A 75 -7.457 13.247 -2.409 1.00 0.23 C ATOM 1185 O GLU A 75 -7.827 14.185 -3.121 1.00 0.32 O ATOM 1186 CB GLU A 75 -8.320 10.917 -2.738 1.00 0.36 C ATOM 1187 CG GLU A 75 -9.653 11.369 -3.310 1.00 0.51 C ATOM 1188 CD GLU A 75 -9.656 11.412 -4.823 1.00 0.97 C ATOM 1189 OE1 GLU A 75 -9.157 10.455 -5.452 1.00 1.47 O ATOM 1190 OE2 GLU A 75 -10.163 12.402 -5.387 1.00 1.57 O1- ATOM 0 H GLU A 75 -6.072 10.470 -1.895 1.00 0.18 H new ATOM 0 HA GLU A 75 -7.023 11.985 -4.078 1.00 0.27 H new ATOM 0 HB2 GLU A 75 -8.072 9.942 -3.156 1.00 0.36 H new ATOM 0 HB3 GLU A 75 -8.427 10.784 -1.661 1.00 0.36 H new ATOM 0 HG2 GLU A 75 -10.438 10.694 -2.968 1.00 0.51 H new ATOM 0 HG3 GLU A 75 -9.893 12.359 -2.922 1.00 0.51 H new ATOM 1197 N GLU A 76 -7.274 13.357 -1.100 1.00 0.13 N ATOM 1198 CA GLU A 76 -7.513 14.604 -0.392 1.00 0.10 C ATOM 1199 C GLU A 76 -6.466 15.645 -0.780 1.00 0.05 C ATOM 1200 O GLU A 76 -6.767 16.832 -0.881 1.00 0.03 O ATOM 1201 CB GLU A 76 -7.487 14.360 1.120 1.00 0.10 C ATOM 1202 CG GLU A 76 -7.833 15.587 1.942 1.00 0.19 C ATOM 1203 CD GLU A 76 -8.548 15.238 3.230 1.00 0.51 C ATOM 1204 OE1 GLU A 76 -7.895 14.707 4.154 1.00 1.56 O ATOM 1205 OE2 GLU A 76 -9.767 15.489 3.320 1.00 0.59 O1- ATOM 0 H GLU A 76 -6.959 12.591 -0.505 1.00 0.13 H new ATOM 0 HA GLU A 76 -8.496 14.984 -0.671 1.00 0.10 H new ATOM 0 HB2 GLU A 76 -8.188 13.562 1.362 1.00 0.10 H new ATOM 0 HB3 GLU A 76 -6.495 14.010 1.406 1.00 0.10 H new ATOM 0 HG2 GLU A 76 -6.920 16.135 2.174 1.00 0.19 H new ATOM 0 HG3 GLU A 76 -8.462 16.252 1.350 1.00 0.19 H new ATOM 1212 N TYR A 77 -5.243 15.183 -1.018 1.00 0.06 N ATOM 1213 CA TYR A 77 -4.141 16.057 -1.409 1.00 0.05 C ATOM 1214 C TYR A 77 -4.490 16.813 -2.690 1.00 0.07 C ATOM 1215 O TYR A 77 -4.277 18.024 -2.791 1.00 0.11 O ATOM 1216 CB TYR A 77 -2.865 15.219 -1.600 1.00 0.09 C ATOM 1217 CG TYR A 77 -1.630 15.990 -2.029 1.00 0.12 C ATOM 1218 CD1 TYR A 77 -1.406 17.298 -1.620 1.00 0.14 C ATOM 1219 CD2 TYR A 77 -0.676 15.389 -2.840 1.00 0.12 C ATOM 1220 CE1 TYR A 77 -0.268 17.982 -2.003 1.00 0.17 C ATOM 1221 CE2 TYR A 77 0.468 16.065 -3.230 1.00 0.16 C ATOM 1222 CZ TYR A 77 0.668 17.364 -2.812 1.00 0.18 C ATOM 1223 OH TYR A 77 1.806 18.045 -3.198 1.00 0.21 O ATOM 0 H TYR A 77 -4.988 14.198 -0.946 1.00 0.06 H new ATOM 0 HA TYR A 77 -3.967 16.791 -0.622 1.00 0.05 H new ATOM 0 HB2 TYR A 77 -2.644 14.708 -0.663 1.00 0.09 H new ATOM 0 HB3 TYR A 77 -3.066 14.448 -2.344 1.00 0.09 H new ATOM 0 HD1 TYR A 77 -2.134 17.789 -0.992 1.00 0.14 H new ATOM 0 HD2 TYR A 77 -0.830 14.373 -3.173 1.00 0.12 H new ATOM 0 HE1 TYR A 77 -0.110 18.997 -1.671 1.00 0.17 H new ATOM 0 HE2 TYR A 77 1.199 15.578 -3.858 1.00 0.16 H new ATOM 0 HH TYR A 77 2.553 17.415 -3.279 1.00 0.21 H new ATOM 1233 N GLN A 78 -5.057 16.094 -3.649 1.00 0.10 N ATOM 1234 CA GLN A 78 -5.437 16.678 -4.928 1.00 0.13 C ATOM 1235 C GLN A 78 -6.679 17.561 -4.786 1.00 0.06 C ATOM 1236 O GLN A 78 -6.857 18.520 -5.535 1.00 0.08 O ATOM 1237 CB GLN A 78 -5.690 15.568 -5.955 1.00 0.19 C ATOM 1238 CG GLN A 78 -4.448 14.749 -6.281 1.00 0.23 C ATOM 1239 CD GLN A 78 -4.768 13.439 -6.976 1.00 0.31 C ATOM 1240 OE1 GLN A 78 -4.957 12.407 -6.331 1.00 0.51 O ATOM 1241 NE2 GLN A 78 -4.833 13.469 -8.297 1.00 0.26 N ATOM 0 H GLN A 78 -5.265 15.099 -3.564 1.00 0.10 H new ATOM 0 HA GLN A 78 -4.616 17.307 -5.273 1.00 0.13 H new ATOM 0 HB2 GLN A 78 -6.465 14.902 -5.576 1.00 0.19 H new ATOM 0 HB3 GLN A 78 -6.073 16.013 -6.873 1.00 0.19 H new ATOM 0 HG2 GLN A 78 -3.787 15.339 -6.916 1.00 0.23 H new ATOM 0 HG3 GLN A 78 -3.904 14.542 -5.360 1.00 0.23 H new ATOM 0 HE21 GLN A 78 -4.670 14.344 -8.796 1.00 0.26 H new ATOM 0 HE22 GLN A 78 -5.046 12.617 -8.817 1.00 0.26 H new ATOM 1250 N ARG A 79 -7.517 17.246 -3.806 1.00 0.04 N ATOM 1251 CA ARG A 79 -8.745 17.999 -3.568 1.00 0.11 C ATOM 1252 C ARG A 79 -8.434 19.320 -2.874 1.00 0.17 C ATOM 1253 O ARG A 79 -9.060 20.347 -3.146 1.00 0.29 O ATOM 1254 CB ARG A 79 -9.709 17.173 -2.714 1.00 0.18 C ATOM 1255 CG ARG A 79 -11.173 17.549 -2.890 1.00 0.46 C ATOM 1256 CD ARG A 79 -11.636 17.343 -4.325 1.00 0.78 C ATOM 1257 NE ARG A 79 -11.132 16.089 -4.892 1.00 1.20 N ATOM 1258 CZ ARG A 79 -10.555 15.990 -6.092 1.00 0.98 C ATOM 1259 NH1 ARG A 79 -10.462 17.050 -6.883 1.00 0.63 N1+ ATOM 1260 NH2 ARG A 79 -10.074 14.824 -6.507 1.00 1.78 N ATOM 0 H ARG A 79 -7.369 16.471 -3.160 1.00 0.04 H new ATOM 0 HA ARG A 79 -9.214 18.212 -4.529 1.00 0.11 H new ATOM 0 HB2 ARG A 79 -9.584 16.119 -2.960 1.00 0.18 H new ATOM 0 HB3 ARG A 79 -9.439 17.289 -1.664 1.00 0.18 H new ATOM 0 HG2 ARG A 79 -11.787 16.948 -2.219 1.00 0.46 H new ATOM 0 HG3 ARG A 79 -11.318 18.591 -2.606 1.00 0.46 H new ATOM 0 HD2 ARG A 79 -12.726 17.343 -4.358 1.00 0.78 H new ATOM 0 HD3 ARG A 79 -11.299 18.179 -4.938 1.00 0.78 H new ATOM 0 HE ARG A 79 -11.228 15.240 -4.336 1.00 1.20 H new ATOM 0 HH11 ARG A 79 -10.833 17.949 -6.576 1.00 0.63 H new ATOM 0 HH12 ARG A 79 -10.020 16.966 -7.798 1.00 0.63 H new ATOM 0 HH21 ARG A 79 -10.145 14.001 -5.909 1.00 1.78 H new ATOM 0 HH22 ARG A 79 -9.634 14.751 -7.424 1.00 1.78 H new ATOM 1274 N LEU A 80 -7.461 19.278 -1.981 1.00 0.11 N ATOM 1275 CA LEU A 80 -7.041 20.449 -1.229 1.00 0.17 C ATOM 1276 C LEU A 80 -6.265 21.428 -2.113 1.00 0.18 C ATOM 1277 O LEU A 80 -6.494 22.634 -2.072 1.00 0.22 O ATOM 1278 CB LEU A 80 -6.169 20.013 -0.049 1.00 0.19 C ATOM 1279 CG LEU A 80 -5.409 21.142 0.658 1.00 0.22 C ATOM 1280 CD1 LEU A 80 -6.228 21.704 1.807 1.00 0.25 C ATOM 1281 CD2 LEU A 80 -4.054 20.658 1.153 1.00 0.23 C ATOM 0 H LEU A 80 -6.939 18.431 -1.756 1.00 0.11 H new ATOM 0 HA LEU A 80 -7.932 20.959 -0.863 1.00 0.17 H new ATOM 0 HB2 LEU A 80 -6.802 19.510 0.682 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -5.447 19.278 -0.405 1.00 0.19 H new ATOM 0 HG LEU A 80 -5.241 21.940 -0.066 1.00 0.22 H new ATOM 0 HD11 LEU A 80 -5.670 22.503 2.295 1.00 0.25 H new ATOM 0 HD12 LEU A 80 -7.169 22.099 1.424 1.00 0.25 H new ATOM 0 HD13 LEU A 80 -6.434 20.913 2.528 1.00 0.25 H new ATOM 0 HD21 LEU A 80 -3.535 21.477 1.651 1.00 0.23 H new ATOM 0 HD22 LEU A 80 -4.195 19.837 1.856 1.00 0.23 H new ATOM 0 HD23 LEU A 80 -3.460 20.312 0.307 1.00 0.23 H new ATOM 1293 N ARG A 81 -5.355 20.898 -2.919 1.00 0.17 N ATOM 1294 CA ARG A 81 -4.526 21.725 -3.791 1.00 0.21 C ATOM 1295 C ARG A 81 -5.345 22.475 -4.845 1.00 0.22 C ATOM 1296 O ARG A 81 -5.044 23.629 -5.155 1.00 0.31 O ATOM 1297 CB ARG A 81 -3.454 20.872 -4.466 1.00 0.21 C ATOM 1298 CG ARG A 81 -2.213 20.670 -3.606 1.00 0.25 C ATOM 1299 CD ARG A 81 -0.999 21.364 -4.204 1.00 0.43 C ATOM 1300 NE ARG A 81 -1.176 22.817 -4.295 1.00 0.50 N ATOM 1301 CZ ARG A 81 -0.786 23.557 -5.338 1.00 0.50 C ATOM 1302 NH1 ARG A 81 -0.155 22.995 -6.367 1.00 0.71 N1+ ATOM 1303 NH2 ARG A 81 -1.017 24.864 -5.342 1.00 0.54 N ATOM 0 H ARG A 81 -5.171 19.897 -2.988 1.00 0.17 H new ATOM 0 HA ARG A 81 -4.052 22.477 -3.160 1.00 0.21 H new ATOM 0 HB2 ARG A 81 -3.877 19.899 -4.714 1.00 0.21 H new ATOM 0 HB3 ARG A 81 -3.164 21.343 -5.405 1.00 0.21 H new ATOM 0 HG2 ARG A 81 -2.397 21.057 -2.604 1.00 0.25 H new ATOM 0 HG3 ARG A 81 -2.010 19.604 -3.504 1.00 0.25 H new ATOM 0 HD2 ARG A 81 -0.122 21.145 -3.595 1.00 0.43 H new ATOM 0 HD3 ARG A 81 -0.806 20.961 -5.198 1.00 0.43 H new ATOM 0 HE ARG A 81 -1.625 23.293 -3.513 1.00 0.50 H new ATOM 0 HH11 ARG A 81 0.034 21.993 -6.363 1.00 0.71 H new ATOM 0 HH12 ARG A 81 0.139 23.567 -7.159 1.00 0.71 H new ATOM 0 HH21 ARG A 81 -1.491 25.301 -4.551 1.00 0.54 H new ATOM 0 HH22 ARG A 81 -0.721 25.432 -6.136 1.00 0.54 H new ATOM 1551 N THR B 10 -17.772 1.291 5.140 1.00 0.33 N ATOM 1552 CA THR B 10 -18.328 -0.043 5.225 1.00 0.31 C ATOM 1553 C THR B 10 -17.413 -1.043 4.518 1.00 0.23 C ATOM 1554 O THR B 10 -16.307 -0.695 4.105 1.00 0.23 O ATOM 1555 CB THR B 10 -19.753 -0.077 4.623 1.00 0.36 C ATOM 1556 OG1 THR B 10 -20.413 -1.305 4.964 1.00 0.42 O ATOM 1557 CG2 THR B 10 -19.723 0.088 3.108 1.00 0.28 C ATOM 0 HA THR B 10 -18.399 -0.326 6.275 1.00 0.31 H new ATOM 0 HB THR B 10 -20.308 0.760 5.047 1.00 0.36 H new ATOM 0 HG1 THR B 10 -21.314 -1.311 4.578 1.00 0.42 H new ATOM 0 HG21 THR B 10 -20.741 0.059 2.719 1.00 0.28 H new ATOM 0 HG22 THR B 10 -19.265 1.044 2.855 1.00 0.28 H new ATOM 0 HG23 THR B 10 -19.142 -0.721 2.665 1.00 0.28 H new ATOM 1565 N ARG B 11 -17.872 -2.276 4.379 1.00 0.25 N ATOM 1566 CA ARG B 11 -17.078 -3.308 3.735 1.00 0.21 C ATOM 1567 C ARG B 11 -17.529 -3.523 2.296 1.00 0.27 C ATOM 1568 O ARG B 11 -18.716 -3.420 1.978 1.00 0.53 O ATOM 1569 CB ARG B 11 -17.164 -4.619 4.525 1.00 0.24 C ATOM 1570 CG ARG B 11 -18.517 -5.311 4.431 1.00 0.31 C ATOM 1571 CD ARG B 11 -18.583 -6.525 5.337 1.00 0.68 C ATOM 1572 NE ARG B 11 -19.843 -7.245 5.192 1.00 1.23 N ATOM 1573 CZ ARG B 11 -20.273 -8.168 6.047 1.00 1.21 C ATOM 1574 NH1 ARG B 11 -19.547 -8.481 7.114 1.00 1.36 N1+ ATOM 1575 NH2 ARG B 11 -21.428 -8.777 5.834 1.00 1.72 N ATOM 0 H ARG B 11 -18.788 -2.586 4.703 1.00 0.25 H new ATOM 0 HA ARG B 11 -16.039 -2.978 3.719 1.00 0.21 H new ATOM 0 HB2 ARG B 11 -16.393 -5.300 4.164 1.00 0.24 H new ATOM 0 HB3 ARG B 11 -16.944 -4.415 5.573 1.00 0.24 H new ATOM 0 HG2 ARG B 11 -19.306 -4.609 4.703 1.00 0.31 H new ATOM 0 HG3 ARG B 11 -18.701 -5.614 3.400 1.00 0.31 H new ATOM 0 HD2 ARG B 11 -17.754 -7.195 5.108 1.00 0.68 H new ATOM 0 HD3 ARG B 11 -18.462 -6.211 6.374 1.00 0.68 H new ATOM 0 HE ARG B 11 -20.430 -7.027 4.386 1.00 1.23 H new ATOM 0 HH11 ARG B 11 -18.656 -8.013 7.280 1.00 1.36 H new ATOM 0 HH12 ARG B 11 -19.880 -9.190 7.768 1.00 1.36 H new ATOM 0 HH21 ARG B 11 -21.987 -8.538 5.015 1.00 1.72 H new ATOM 0 HH22 ARG B 11 -21.759 -9.485 6.489 1.00 1.72 H new ATOM 1589 N VAL B 12 -16.572 -3.812 1.429 1.00 0.16 N ATOM 1590 CA VAL B 12 -16.858 -4.051 0.027 1.00 0.15 C ATOM 1591 C VAL B 12 -16.200 -5.354 -0.430 1.00 0.12 C ATOM 1592 O VAL B 12 -15.122 -5.721 0.048 1.00 0.17 O ATOM 1593 CB VAL B 12 -16.385 -2.865 -0.855 1.00 0.19 C ATOM 1594 CG1 VAL B 12 -14.876 -2.691 -0.782 1.00 0.13 C ATOM 1595 CG2 VAL B 12 -16.846 -3.036 -2.300 1.00 0.25 C ATOM 0 H VAL B 12 -15.585 -3.887 1.675 1.00 0.16 H new ATOM 0 HA VAL B 12 -17.938 -4.140 -0.088 1.00 0.15 H new ATOM 0 HB VAL B 12 -16.844 -1.958 -0.462 1.00 0.19 H new ATOM 0 HG11 VAL B 12 -14.576 -1.853 -1.410 1.00 0.13 H new ATOM 0 HG12 VAL B 12 -14.582 -2.495 0.249 1.00 0.13 H new ATOM 0 HG13 VAL B 12 -14.388 -3.600 -1.132 1.00 0.13 H new ATOM 0 HG21 VAL B 12 -16.500 -2.190 -2.895 1.00 0.25 H new ATOM 0 HG22 VAL B 12 -16.433 -3.959 -2.707 1.00 0.25 H new ATOM 0 HG23 VAL B 12 -17.935 -3.081 -2.332 1.00 0.25 H new ATOM 1605 N SER B 13 -16.876 -6.069 -1.318 1.00 0.09 N ATOM 1606 CA SER B 13 -16.362 -7.322 -1.850 1.00 0.12 C ATOM 1607 C SER B 13 -15.544 -7.051 -3.114 1.00 0.18 C ATOM 1608 O SER B 13 -16.055 -6.487 -4.080 1.00 0.48 O ATOM 1609 CB SER B 13 -17.526 -8.264 -2.161 1.00 0.12 C ATOM 1610 OG SER B 13 -18.542 -8.162 -1.170 1.00 0.38 O ATOM 0 H SER B 13 -17.788 -5.800 -1.687 1.00 0.09 H new ATOM 0 HA SER B 13 -15.716 -7.793 -1.109 1.00 0.12 H new ATOM 0 HB2 SER B 13 -17.942 -8.024 -3.140 1.00 0.12 H new ATOM 0 HB3 SER B 13 -17.164 -9.291 -2.212 1.00 0.12 H new ATOM 0 HG SER B 13 -19.277 -8.772 -1.391 1.00 0.38 H new ATOM 1616 N VAL B 14 -14.277 -7.446 -3.102 1.00 0.14 N ATOM 1617 CA VAL B 14 -13.402 -7.215 -4.248 1.00 0.13 C ATOM 1618 C VAL B 14 -12.816 -8.516 -4.779 1.00 0.09 C ATOM 1619 O VAL B 14 -12.766 -9.520 -4.074 1.00 0.19 O ATOM 1620 CB VAL B 14 -12.243 -6.253 -3.909 1.00 0.15 C ATOM 1621 CG1 VAL B 14 -12.762 -4.843 -3.692 1.00 0.27 C ATOM 1622 CG2 VAL B 14 -11.466 -6.736 -2.691 1.00 0.17 C ATOM 0 H VAL B 14 -13.833 -7.925 -2.318 1.00 0.14 H new ATOM 0 HA VAL B 14 -14.029 -6.760 -5.014 1.00 0.13 H new ATOM 0 HB VAL B 14 -11.559 -6.240 -4.758 1.00 0.15 H new ATOM 0 HG11 VAL B 14 -11.929 -4.181 -3.454 1.00 0.27 H new ATOM 0 HG12 VAL B 14 -13.256 -4.493 -4.599 1.00 0.27 H new ATOM 0 HG13 VAL B 14 -13.474 -4.840 -2.867 1.00 0.27 H new ATOM 0 HG21 VAL B 14 -10.656 -6.039 -2.476 1.00 0.17 H new ATOM 0 HG22 VAL B 14 -12.134 -6.792 -1.832 1.00 0.17 H new ATOM 0 HG23 VAL B 14 -11.051 -7.723 -2.892 1.00 0.17 H new ATOM 1632 N ARG B 15 -12.365 -8.479 -6.024 1.00 0.17 N ATOM 1633 CA ARG B 15 -11.779 -9.646 -6.664 1.00 0.12 C ATOM 1634 C ARG B 15 -10.354 -9.342 -7.121 1.00 0.08 C ATOM 1635 O ARG B 15 -10.147 -8.613 -8.094 1.00 0.12 O ATOM 1636 CB ARG B 15 -12.629 -10.073 -7.858 1.00 0.19 C ATOM 1637 CG ARG B 15 -12.239 -11.423 -8.436 1.00 0.32 C ATOM 1638 CD ARG B 15 -12.022 -11.339 -9.939 1.00 0.37 C ATOM 1639 NE ARG B 15 -10.742 -10.712 -10.276 1.00 0.23 N ATOM 1640 CZ ARG B 15 -9.957 -11.116 -11.277 1.00 0.17 C ATOM 1641 NH1 ARG B 15 -10.328 -12.135 -12.045 1.00 0.20 N1+ ATOM 1642 NH2 ARG B 15 -8.800 -10.510 -11.506 1.00 0.33 N ATOM 0 H ARG B 15 -12.394 -7.647 -6.614 1.00 0.17 H new ATOM 0 HA ARG B 15 -11.749 -10.461 -5.940 1.00 0.12 H new ATOM 0 HB2 ARG B 15 -13.675 -10.107 -7.554 1.00 0.19 H new ATOM 0 HB3 ARG B 15 -12.548 -9.317 -8.639 1.00 0.19 H new ATOM 0 HG2 ARG B 15 -11.328 -11.778 -7.954 1.00 0.32 H new ATOM 0 HG3 ARG B 15 -13.019 -12.153 -8.219 1.00 0.32 H new ATOM 0 HD2 ARG B 15 -12.058 -12.341 -10.367 1.00 0.37 H new ATOM 0 HD3 ARG B 15 -12.834 -10.770 -10.391 1.00 0.37 H new ATOM 0 HE ARG B 15 -10.432 -9.920 -9.713 1.00 0.23 H new ATOM 0 HH11 ARG B 15 -11.214 -12.610 -11.870 1.00 0.20 H new ATOM 0 HH12 ARG B 15 -9.727 -12.443 -12.810 1.00 0.20 H new ATOM 0 HH21 ARG B 15 -8.506 -9.731 -10.916 1.00 0.33 H new ATOM 0 HH22 ARG B 15 -8.204 -10.822 -12.272 1.00 0.33 H new ATOM 1656 N ILE B 16 -9.376 -9.917 -6.432 1.00 0.03 N ATOM 1657 CA ILE B 16 -7.972 -9.695 -6.759 1.00 0.08 C ATOM 1658 C ILE B 16 -7.274 -11.014 -7.085 1.00 0.13 C ATOM 1659 O ILE B 16 -7.428 -11.998 -6.362 1.00 0.15 O ATOM 1660 CB ILE B 16 -7.223 -9.003 -5.596 1.00 0.10 C ATOM 1661 CG1 ILE B 16 -8.040 -7.825 -5.058 1.00 0.11 C ATOM 1662 CG2 ILE B 16 -5.845 -8.532 -6.052 1.00 0.15 C ATOM 1663 CD1 ILE B 16 -7.670 -7.420 -3.648 1.00 0.15 C ATOM 0 H ILE B 16 -9.530 -10.542 -5.641 1.00 0.03 H new ATOM 0 HA ILE B 16 -7.947 -9.044 -7.633 1.00 0.08 H new ATOM 0 HB ILE B 16 -7.091 -9.728 -4.792 1.00 0.10 H new ATOM 0 HG12 ILE B 16 -7.905 -6.969 -5.719 1.00 0.11 H new ATOM 0 HG13 ILE B 16 -9.098 -8.086 -5.086 1.00 0.11 H new ATOM 0 HG21 ILE B 16 -5.333 -8.048 -5.221 1.00 0.15 H new ATOM 0 HG22 ILE B 16 -5.261 -9.388 -6.389 1.00 0.15 H new ATOM 0 HG23 ILE B 16 -5.956 -7.823 -6.873 1.00 0.15 H new ATOM 0 HD11 ILE B 16 -8.291 -6.580 -3.336 1.00 0.15 H new ATOM 0 HD12 ILE B 16 -7.832 -8.261 -2.974 1.00 0.15 H new ATOM 0 HD13 ILE B 16 -6.621 -7.127 -3.617 1.00 0.15 H new ATOM 1675 N TYR B 17 -6.544 -11.032 -8.203 1.00 0.18 N ATOM 1676 CA TYR B 17 -5.792 -12.208 -8.650 1.00 0.25 C ATOM 1677 C TYR B 17 -6.720 -13.395 -8.906 1.00 0.24 C ATOM 1678 O TYR B 17 -6.307 -14.553 -8.837 1.00 0.27 O ATOM 1679 CB TYR B 17 -4.702 -12.577 -7.632 1.00 0.29 C ATOM 1680 CG TYR B 17 -3.363 -12.935 -8.262 1.00 0.23 C ATOM 1681 CD1 TYR B 17 -2.473 -11.944 -8.673 1.00 0.22 C ATOM 1682 CD2 TYR B 17 -2.987 -14.262 -8.444 1.00 0.27 C ATOM 1683 CE1 TYR B 17 -1.252 -12.269 -9.246 1.00 0.20 C ATOM 1684 CE2 TYR B 17 -1.767 -14.591 -9.014 1.00 0.31 C ATOM 1685 CZ TYR B 17 -0.905 -13.592 -9.414 1.00 0.26 C ATOM 1686 OH TYR B 17 0.314 -13.918 -9.986 1.00 0.34 O ATOM 0 H TYR B 17 -6.457 -10.229 -8.826 1.00 0.18 H new ATOM 0 HA TYR B 17 -5.308 -11.955 -9.593 1.00 0.25 H new ATOM 0 HB2 TYR B 17 -4.558 -11.740 -6.949 1.00 0.29 H new ATOM 0 HB3 TYR B 17 -5.048 -13.420 -7.034 1.00 0.29 H new ATOM 0 HD1 TYR B 17 -2.739 -10.905 -8.543 1.00 0.22 H new ATOM 0 HD2 TYR B 17 -3.658 -15.050 -8.136 1.00 0.27 H new ATOM 0 HE1 TYR B 17 -0.576 -11.488 -9.559 1.00 0.20 H new ATOM 0 HE2 TYR B 17 -1.492 -15.627 -9.144 1.00 0.31 H new ATOM 0 HH TYR B 17 0.981 -13.243 -9.742 1.00 0.34 H new ATOM 1696 N GLY B 18 -7.979 -13.099 -9.202 1.00 0.21 N ATOM 1697 CA GLY B 18 -8.939 -14.146 -9.485 1.00 0.22 C ATOM 1698 C GLY B 18 -9.654 -14.674 -8.251 1.00 0.22 C ATOM 1699 O GLY B 18 -10.434 -15.623 -8.346 1.00 0.24 O ATOM 0 H GLY B 18 -8.352 -12.151 -9.251 1.00 0.21 H new ATOM 0 HA2 GLY B 18 -9.680 -13.766 -10.188 1.00 0.22 H new ATOM 0 HA3 GLY B 18 -8.427 -14.972 -9.978 1.00 0.22 H new ATOM 1703 N GLN B 19 -9.393 -14.082 -7.093 1.00 0.20 N ATOM 1704 CA GLN B 19 -10.038 -14.524 -5.858 1.00 0.21 C ATOM 1705 C GLN B 19 -10.873 -13.407 -5.247 1.00 0.18 C ATOM 1706 O GLN B 19 -10.634 -12.228 -5.508 1.00 0.13 O ATOM 1707 CB GLN B 19 -9.008 -15.020 -4.845 1.00 0.22 C ATOM 1708 CG GLN B 19 -8.451 -16.399 -5.169 1.00 0.56 C ATOM 1709 CD GLN B 19 -7.159 -16.345 -5.961 1.00 0.86 C ATOM 1710 OE1 GLN B 19 -6.307 -15.383 -5.650 1.00 0.81 O flip ATOM 1711 NE2 GLN B 19 -6.919 -17.179 -6.831 1.00 1.36 N flip ATOM 0 H GLN B 19 -8.746 -13.302 -6.980 1.00 0.20 H new ATOM 0 HA GLN B 19 -10.699 -15.352 -6.114 1.00 0.21 H new ATOM 0 HB2 GLN B 19 -8.185 -14.307 -4.797 1.00 0.22 H new ATOM 0 HB3 GLN B 19 -9.466 -15.045 -3.856 1.00 0.22 H new ATOM 0 HG2 GLN B 19 -8.279 -16.943 -4.240 1.00 0.56 H new ATOM 0 HG3 GLN B 19 -9.194 -16.961 -5.734 1.00 0.56 H new ATOM 0 HE21 GLN B 19 -7.602 -17.906 -7.042 1.00 1.36 H new ATOM 0 HE22 GLN B 19 -6.037 -17.144 -7.342 1.00 1.36 H new ATOM 1720 N ASP B 20 -11.849 -13.788 -4.432 1.00 0.24 N ATOM 1721 CA ASP B 20 -12.735 -12.827 -3.778 1.00 0.24 C ATOM 1722 C ASP B 20 -12.243 -12.505 -2.370 1.00 0.23 C ATOM 1723 O ASP B 20 -11.822 -13.400 -1.630 1.00 0.23 O ATOM 1724 CB ASP B 20 -14.166 -13.380 -3.736 1.00 0.31 C ATOM 1725 CG ASP B 20 -15.045 -12.696 -2.703 1.00 0.41 C ATOM 1726 OD1 ASP B 20 -15.581 -11.605 -2.993 1.00 1.64 O ATOM 1727 OD2 ASP B 20 -15.220 -13.260 -1.598 1.00 0.39 O1- ATOM 0 H ASP B 20 -12.049 -14.762 -4.206 1.00 0.24 H new ATOM 0 HA ASP B 20 -12.731 -11.902 -4.354 1.00 0.24 H new ATOM 0 HB2 ASP B 20 -14.620 -13.268 -4.721 1.00 0.31 H new ATOM 0 HB3 ASP B 20 -14.129 -14.448 -3.521 1.00 0.31 H new ATOM 1732 N TYR B 21 -12.276 -11.227 -2.010 1.00 0.23 N ATOM 1733 CA TYR B 21 -11.833 -10.780 -0.697 1.00 0.22 C ATOM 1734 C TYR B 21 -12.783 -9.730 -0.133 1.00 0.24 C ATOM 1735 O TYR B 21 -13.415 -8.983 -0.880 1.00 0.36 O ATOM 1736 CB TYR B 21 -10.420 -10.189 -0.773 1.00 0.19 C ATOM 1737 CG TYR B 21 -9.395 -11.128 -1.362 1.00 0.17 C ATOM 1738 CD1 TYR B 21 -8.875 -12.176 -0.614 1.00 0.17 C ATOM 1739 CD2 TYR B 21 -8.960 -10.974 -2.670 1.00 0.16 C ATOM 1740 CE1 TYR B 21 -7.947 -13.044 -1.155 1.00 0.16 C ATOM 1741 CE2 TYR B 21 -8.033 -11.838 -3.217 1.00 0.15 C ATOM 1742 CZ TYR B 21 -7.528 -12.871 -2.458 1.00 0.15 C ATOM 1743 OH TYR B 21 -6.601 -13.730 -3.003 1.00 0.14 O ATOM 0 H TYR B 21 -12.608 -10.477 -2.616 1.00 0.23 H new ATOM 0 HA TYR B 21 -11.826 -11.649 -0.039 1.00 0.22 H new ATOM 0 HB2 TYR B 21 -10.450 -9.278 -1.371 1.00 0.19 H new ATOM 0 HB3 TYR B 21 -10.102 -9.902 0.229 1.00 0.19 H new ATOM 0 HD1 TYR B 21 -9.201 -12.314 0.406 1.00 0.17 H new ATOM 0 HD2 TYR B 21 -9.353 -10.166 -3.269 1.00 0.16 H new ATOM 0 HE1 TYR B 21 -7.551 -13.854 -0.561 1.00 0.16 H new ATOM 0 HE2 TYR B 21 -7.704 -11.705 -4.237 1.00 0.15 H new ATOM 0 HH TYR B 21 -6.953 -14.644 -2.987 1.00 0.14 H new ATOM 1753 N THR B 22 -12.880 -9.683 1.185 1.00 0.18 N ATOM 1754 CA THR B 22 -13.725 -8.712 1.863 1.00 0.18 C ATOM 1755 C THR B 22 -12.854 -7.676 2.567 1.00 0.16 C ATOM 1756 O THR B 22 -12.062 -8.023 3.441 1.00 0.21 O ATOM 1757 CB THR B 22 -14.635 -9.393 2.900 1.00 0.20 C ATOM 1758 OG1 THR B 22 -15.031 -10.685 2.421 1.00 0.54 O ATOM 1759 CG2 THR B 22 -15.871 -8.546 3.178 1.00 0.26 C ATOM 0 H THR B 22 -12.379 -10.312 1.813 1.00 0.18 H new ATOM 0 HA THR B 22 -14.352 -8.229 1.114 1.00 0.18 H new ATOM 0 HB THR B 22 -14.077 -9.503 3.830 1.00 0.20 H new ATOM 0 HG1 THR B 22 -15.609 -11.117 3.084 1.00 0.54 H new ATOM 0 HG21 THR B 22 -16.498 -9.049 3.914 1.00 0.26 H new ATOM 0 HG22 THR B 22 -15.566 -7.573 3.564 1.00 0.26 H new ATOM 0 HG23 THR B 22 -16.434 -8.409 2.254 1.00 0.26 H new ATOM 1767 N ILE B 23 -12.985 -6.416 2.181 1.00 0.11 N ATOM 1768 CA ILE B 23 -12.179 -5.354 2.780 1.00 0.11 C ATOM 1769 C ILE B 23 -13.047 -4.189 3.232 1.00 0.14 C ATOM 1770 O ILE B 23 -14.190 -4.054 2.796 1.00 0.32 O ATOM 1771 CB ILE B 23 -11.100 -4.840 1.799 1.00 0.07 C ATOM 1772 CG1 ILE B 23 -11.737 -4.464 0.456 1.00 0.07 C ATOM 1773 CG2 ILE B 23 -10.016 -5.893 1.613 1.00 0.03 C ATOM 1774 CD1 ILE B 23 -10.769 -3.871 -0.545 1.00 0.08 C ATOM 0 H ILE B 23 -13.636 -6.102 1.461 1.00 0.11 H new ATOM 0 HA ILE B 23 -11.685 -5.787 3.650 1.00 0.11 H new ATOM 0 HB ILE B 23 -10.639 -3.945 2.217 1.00 0.07 H new ATOM 0 HG12 ILE B 23 -12.193 -5.354 0.021 1.00 0.07 H new ATOM 0 HG13 ILE B 23 -12.540 -3.749 0.635 1.00 0.07 H new ATOM 0 HG21 ILE B 23 -9.262 -5.520 0.920 1.00 0.03 H new ATOM 0 HG22 ILE B 23 -9.550 -6.110 2.574 1.00 0.03 H new ATOM 0 HG23 ILE B 23 -10.459 -6.804 1.211 1.00 0.03 H new ATOM 0 HD11 ILE B 23 -11.299 -3.633 -1.467 1.00 0.08 H new ATOM 0 HD12 ILE B 23 -10.331 -2.962 -0.133 1.00 0.08 H new ATOM 0 HD13 ILE B 23 -9.978 -4.591 -0.757 1.00 0.08 H new ATOM 1786 N VAL B 24 -12.505 -3.361 4.116 1.00 0.16 N ATOM 1787 CA VAL B 24 -13.223 -2.206 4.629 1.00 0.17 C ATOM 1788 C VAL B 24 -12.783 -0.938 3.900 1.00 0.22 C ATOM 1789 O VAL B 24 -11.608 -0.568 3.934 1.00 0.28 O ATOM 1790 CB VAL B 24 -12.990 -2.024 6.145 1.00 0.19 C ATOM 1791 CG1 VAL B 24 -13.804 -0.857 6.683 1.00 0.20 C ATOM 1792 CG2 VAL B 24 -13.330 -3.301 6.901 1.00 0.18 C ATOM 0 H VAL B 24 -11.564 -3.471 4.493 1.00 0.16 H new ATOM 0 HA VAL B 24 -14.285 -2.381 4.457 1.00 0.17 H new ATOM 0 HB VAL B 24 -11.933 -1.804 6.298 1.00 0.19 H new ATOM 0 HG11 VAL B 24 -13.623 -0.749 7.752 1.00 0.20 H new ATOM 0 HG12 VAL B 24 -13.509 0.059 6.171 1.00 0.20 H new ATOM 0 HG13 VAL B 24 -14.864 -1.043 6.512 1.00 0.20 H new ATOM 0 HG21 VAL B 24 -13.158 -3.150 7.967 1.00 0.18 H new ATOM 0 HG22 VAL B 24 -14.377 -3.555 6.735 1.00 0.18 H new ATOM 0 HG23 VAL B 24 -12.698 -4.114 6.544 1.00 0.18 H new ATOM 1802 N GLY B 25 -13.721 -0.284 3.230 1.00 0.21 N ATOM 1803 CA GLY B 25 -13.415 0.932 2.508 1.00 0.27 C ATOM 1804 C GLY B 25 -14.607 1.430 1.725 1.00 0.07 C ATOM 1805 O GLY B 25 -15.296 0.638 1.081 1.00 0.28 O ATOM 0 H GLY B 25 -14.696 -0.578 3.174 1.00 0.21 H new ATOM 0 HA2 GLY B 25 -13.093 1.701 3.210 1.00 0.27 H new ATOM 0 HA3 GLY B 25 -12.582 0.752 1.828 1.00 0.27 H new ATOM 1809 N ALA B 26 -14.865 2.732 1.791 1.00 0.15 N ATOM 1810 CA ALA B 26 -15.993 3.319 1.080 1.00 0.36 C ATOM 1811 C ALA B 26 -15.897 4.839 1.031 1.00 0.34 C ATOM 1812 O ALA B 26 -16.861 5.538 1.336 1.00 0.57 O ATOM 1813 CB ALA B 26 -17.310 2.896 1.716 1.00 0.61 C ATOM 0 H ALA B 26 -14.310 3.398 2.328 1.00 0.15 H new ATOM 0 HA ALA B 26 -15.960 2.948 0.056 1.00 0.36 H new ATOM 0 HB1 ALA B 26 -18.139 3.346 1.169 1.00 0.61 H new ATOM 0 HB2 ALA B 26 -17.399 1.810 1.681 1.00 0.61 H new ATOM 0 HB3 ALA B 26 -17.336 3.229 2.754 1.00 0.61 H new ATOM 1819 N GLU B 27 -14.738 5.355 0.644 1.00 0.08 N ATOM 1820 CA GLU B 27 -14.555 6.798 0.545 1.00 0.06 C ATOM 1821 C GLU B 27 -15.159 7.273 -0.772 1.00 0.07 C ATOM 1822 O GLU B 27 -15.600 8.417 -0.908 1.00 0.08 O ATOM 1823 CB GLU B 27 -13.067 7.183 0.647 1.00 0.06 C ATOM 1824 CG GLU B 27 -12.289 7.105 -0.663 1.00 0.97 C ATOM 1825 CD GLU B 27 -11.876 5.693 -1.030 1.00 1.82 C ATOM 1826 OE1 GLU B 27 -12.748 4.803 -1.049 1.00 2.44 O1- ATOM 1827 OE2 GLU B 27 -10.679 5.484 -1.320 1.00 2.18 O ATOM 0 H GLU B 27 -13.917 4.803 0.395 1.00 0.08 H new ATOM 0 HA GLU B 27 -15.062 7.287 1.377 1.00 0.06 H new ATOM 0 HB2 GLU B 27 -12.996 8.199 1.034 1.00 0.06 H new ATOM 0 HB3 GLU B 27 -12.588 6.530 1.376 1.00 0.06 H new ATOM 0 HG2 GLU B 27 -12.900 7.518 -1.466 1.00 0.97 H new ATOM 0 HG3 GLU B 27 -11.398 7.729 -0.587 1.00 0.97 H new ATOM 1834 N SER B 28 -15.173 6.364 -1.733 1.00 0.08 N ATOM 1835 CA SER B 28 -15.724 6.604 -3.052 1.00 0.11 C ATOM 1836 C SER B 28 -15.897 5.257 -3.759 1.00 0.14 C ATOM 1837 O SER B 28 -14.959 4.464 -3.827 1.00 0.14 O ATOM 1838 CB SER B 28 -14.821 7.545 -3.859 1.00 0.16 C ATOM 1839 OG SER B 28 -15.129 8.903 -3.591 1.00 0.98 O ATOM 0 H SER B 28 -14.795 5.424 -1.614 1.00 0.08 H new ATOM 0 HA SER B 28 -16.694 7.093 -2.964 1.00 0.11 H new ATOM 0 HB2 SER B 28 -13.777 7.351 -3.614 1.00 0.16 H new ATOM 0 HB3 SER B 28 -14.941 7.345 -4.924 1.00 0.16 H new ATOM 0 HG SER B 28 -15.349 9.007 -2.642 1.00 0.98 H new ATOM 1845 N PRO B 29 -17.101 4.978 -4.284 1.00 0.17 N ATOM 1846 CA PRO B 29 -17.411 3.710 -4.960 1.00 0.21 C ATOM 1847 C PRO B 29 -16.455 3.382 -6.107 1.00 0.18 C ATOM 1848 O PRO B 29 -16.017 2.247 -6.247 1.00 0.20 O ATOM 1849 CB PRO B 29 -18.835 3.911 -5.494 1.00 0.30 C ATOM 1850 CG PRO B 29 -19.089 5.380 -5.415 1.00 0.28 C ATOM 1851 CD PRO B 29 -18.262 5.881 -4.267 1.00 0.18 C ATOM 0 HA PRO B 29 -17.312 2.870 -4.272 1.00 0.21 H new ATOM 0 HB2 PRO B 29 -18.923 3.552 -6.520 1.00 0.30 H new ATOM 0 HB3 PRO B 29 -19.559 3.355 -4.898 1.00 0.30 H new ATOM 0 HG2 PRO B 29 -18.807 5.875 -6.344 1.00 0.28 H new ATOM 0 HG3 PRO B 29 -20.147 5.585 -5.252 1.00 0.28 H new ATOM 0 HD2 PRO B 29 -17.967 6.921 -4.404 1.00 0.18 H new ATOM 0 HD3 PRO B 29 -18.804 5.825 -3.323 1.00 0.18 H new ATOM 1859 N ALA B 30 -16.123 4.374 -6.921 1.00 0.18 N ATOM 1860 CA ALA B 30 -15.221 4.153 -8.043 1.00 0.16 C ATOM 1861 C ALA B 30 -13.782 3.996 -7.563 1.00 0.10 C ATOM 1862 O ALA B 30 -12.952 3.389 -8.240 1.00 0.05 O ATOM 1863 CB ALA B 30 -15.323 5.298 -9.031 1.00 0.20 C ATOM 0 H ALA B 30 -16.461 5.332 -6.827 1.00 0.18 H new ATOM 0 HA ALA B 30 -15.516 3.229 -8.541 1.00 0.16 H new ATOM 0 HB1 ALA B 30 -14.644 5.121 -9.865 1.00 0.20 H new ATOM 0 HB2 ALA B 30 -16.345 5.367 -9.404 1.00 0.20 H new ATOM 0 HB3 ALA B 30 -15.054 6.231 -8.536 1.00 0.20 H new ATOM 1869 N HIS B 31 -13.509 4.534 -6.383 1.00 0.15 N ATOM 1870 CA HIS B 31 -12.170 4.480 -5.797 1.00 0.13 C ATOM 1871 C HIS B 31 -11.854 3.071 -5.316 1.00 0.07 C ATOM 1872 O HIS B 31 -10.892 2.458 -5.766 1.00 0.05 O ATOM 1873 CB HIS B 31 -12.058 5.460 -4.624 1.00 0.20 C ATOM 1874 CG HIS B 31 -10.847 6.341 -4.670 1.00 0.38 C ATOM 1875 ND1 HIS B 31 -9.967 6.463 -3.622 1.00 0.76 N ATOM 1876 CD2 HIS B 31 -10.399 7.174 -5.632 1.00 1.42 C ATOM 1877 CE1 HIS B 31 -9.029 7.336 -3.935 1.00 0.48 C ATOM 1878 NE2 HIS B 31 -9.269 7.792 -5.153 1.00 1.22 N ATOM 0 H HIS B 31 -14.199 5.016 -5.807 1.00 0.15 H new ATOM 0 HA HIS B 31 -11.452 4.762 -6.567 1.00 0.13 H new ATOM 0 HB2 HIS B 31 -12.949 6.088 -4.604 1.00 0.20 H new ATOM 0 HB3 HIS B 31 -12.046 4.894 -3.693 1.00 0.20 H new ATOM 0 HD1 HIS B 31 -10.029 5.957 -2.739 1.00 0.76 H new ATOM 0 HD2 HIS B 31 -10.847 7.327 -6.603 1.00 1.42 H new ATOM 0 HE1 HIS B 31 -8.204 7.629 -3.303 1.00 0.48 H new ATOM 0 HE2 HIS B 31 -8.710 8.484 -5.652 1.00 1.22 H new ATOM 1887 N ILE B 32 -12.690 2.565 -4.419 1.00 0.08 N ATOM 1888 CA ILE B 32 -12.509 1.226 -3.847 1.00 0.08 C ATOM 1889 C ILE B 32 -12.438 0.136 -4.920 1.00 0.07 C ATOM 1890 O ILE B 32 -11.782 -0.887 -4.731 1.00 0.14 O ATOM 1891 CB ILE B 32 -13.627 0.874 -2.835 1.00 0.11 C ATOM 1892 CG1 ILE B 32 -15.011 0.896 -3.508 1.00 0.13 C ATOM 1893 CG2 ILE B 32 -13.577 1.833 -1.654 1.00 0.12 C ATOM 1894 CD1 ILE B 32 -16.159 0.543 -2.585 1.00 0.10 C ATOM 0 H ILE B 32 -13.508 3.062 -4.066 1.00 0.08 H new ATOM 0 HA ILE B 32 -11.553 1.258 -3.324 1.00 0.08 H new ATOM 0 HB ILE B 32 -13.459 -0.139 -2.469 1.00 0.11 H new ATOM 0 HG12 ILE B 32 -15.185 1.889 -3.922 1.00 0.13 H new ATOM 0 HG13 ILE B 32 -15.006 0.198 -4.345 1.00 0.13 H new ATOM 0 HG21 ILE B 32 -14.366 1.580 -0.946 1.00 0.12 H new ATOM 0 HG22 ILE B 32 -12.608 1.753 -1.161 1.00 0.12 H new ATOM 0 HG23 ILE B 32 -13.721 2.854 -2.008 1.00 0.12 H new ATOM 0 HD11 ILE B 32 -17.097 0.583 -3.139 1.00 0.10 H new ATOM 0 HD12 ILE B 32 -16.013 -0.463 -2.191 1.00 0.10 H new ATOM 0 HD13 ILE B 32 -16.195 1.255 -1.760 1.00 0.10 H new ATOM 1906 N ARG B 33 -13.096 0.365 -6.051 1.00 0.07 N ATOM 1907 CA ARG B 33 -13.103 -0.607 -7.134 1.00 0.05 C ATOM 1908 C ARG B 33 -11.759 -0.648 -7.861 1.00 0.04 C ATOM 1909 O ARG B 33 -11.285 -1.721 -8.239 1.00 0.05 O ATOM 1910 CB ARG B 33 -14.234 -0.299 -8.119 1.00 0.07 C ATOM 1911 CG ARG B 33 -15.620 -0.549 -7.541 1.00 0.59 C ATOM 1912 CD ARG B 33 -16.723 -0.105 -8.492 1.00 0.36 C ATOM 1913 NE ARG B 33 -16.906 -1.041 -9.601 1.00 0.42 N ATOM 1914 CZ ARG B 33 -17.880 -0.955 -10.506 1.00 0.84 C ATOM 1915 NH1 ARG B 33 -18.750 0.046 -10.466 1.00 1.03 N1+ ATOM 1916 NH2 ARG B 33 -17.979 -1.871 -11.459 1.00 1.46 N ATOM 0 H ARG B 33 -13.630 1.213 -6.240 1.00 0.07 H new ATOM 0 HA ARG B 33 -13.273 -1.591 -6.696 1.00 0.05 H new ATOM 0 HB2 ARG B 33 -14.161 0.743 -8.432 1.00 0.07 H new ATOM 0 HB3 ARG B 33 -14.105 -0.910 -9.012 1.00 0.07 H new ATOM 0 HG2 ARG B 33 -15.736 -1.611 -7.322 1.00 0.59 H new ATOM 0 HG3 ARG B 33 -15.720 -0.016 -6.596 1.00 0.59 H new ATOM 0 HD2 ARG B 33 -17.659 -0.010 -7.941 1.00 0.36 H new ATOM 0 HD3 ARG B 33 -16.484 0.882 -8.888 1.00 0.36 H new ATOM 0 HE ARG B 33 -16.243 -1.812 -9.687 1.00 0.42 H new ATOM 0 HH11 ARG B 33 -18.676 0.757 -9.739 1.00 1.03 H new ATOM 0 HH12 ARG B 33 -19.493 0.104 -11.163 1.00 1.03 H new ATOM 0 HH21 ARG B 33 -17.310 -2.640 -11.499 1.00 1.46 H new ATOM 0 HH22 ARG B 33 -18.724 -1.807 -12.153 1.00 1.46 H new ATOM 1930 N LEU B 34 -11.130 0.512 -8.040 1.00 0.06 N ATOM 1931 CA LEU B 34 -9.846 0.569 -8.736 1.00 0.09 C ATOM 1932 C LEU B 34 -8.705 0.097 -7.836 1.00 0.08 C ATOM 1933 O LEU B 34 -7.642 -0.279 -8.327 1.00 0.12 O ATOM 1934 CB LEU B 34 -9.566 1.975 -9.298 1.00 0.12 C ATOM 1935 CG LEU B 34 -9.423 3.113 -8.275 1.00 0.10 C ATOM 1936 CD1 LEU B 34 -7.976 3.270 -7.823 1.00 0.09 C ATOM 1937 CD2 LEU B 34 -9.937 4.418 -8.862 1.00 0.14 C ATOM 0 H LEU B 34 -11.482 1.413 -7.718 1.00 0.06 H new ATOM 0 HA LEU B 34 -9.907 -0.115 -9.583 1.00 0.09 H new ATOM 0 HB2 LEU B 34 -8.650 1.930 -9.886 1.00 0.12 H new ATOM 0 HB3 LEU B 34 -10.373 2.234 -9.984 1.00 0.12 H new ATOM 0 HG LEU B 34 -10.023 2.857 -7.401 1.00 0.10 H new ATOM 0 HD11 LEU B 34 -7.907 4.083 -7.100 1.00 0.09 H new ATOM 0 HD12 LEU B 34 -7.637 2.343 -7.361 1.00 0.09 H new ATOM 0 HD13 LEU B 34 -7.348 3.497 -8.685 1.00 0.09 H new ATOM 0 HD21 LEU B 34 -9.830 5.215 -8.126 1.00 0.14 H new ATOM 0 HD22 LEU B 34 -9.362 4.667 -9.754 1.00 0.14 H new ATOM 0 HD23 LEU B 34 -10.989 4.308 -9.127 1.00 0.14 H new ATOM 1949 N VAL B 35 -8.932 0.112 -6.522 1.00 0.05 N ATOM 1950 CA VAL B 35 -7.918 -0.332 -5.566 1.00 0.08 C ATOM 1951 C VAL B 35 -7.584 -1.801 -5.799 1.00 0.08 C ATOM 1952 O VAL B 35 -6.416 -2.200 -5.788 1.00 0.11 O ATOM 1953 CB VAL B 35 -8.385 -0.148 -4.104 1.00 0.09 C ATOM 1954 CG1 VAL B 35 -7.281 -0.529 -3.131 1.00 0.14 C ATOM 1955 CG2 VAL B 35 -8.837 1.281 -3.847 1.00 0.09 C ATOM 0 H VAL B 35 -9.805 0.425 -6.097 1.00 0.05 H new ATOM 0 HA VAL B 35 -7.033 0.285 -5.725 1.00 0.08 H new ATOM 0 HB VAL B 35 -9.235 -0.811 -3.945 1.00 0.09 H new ATOM 0 HG11 VAL B 35 -7.633 -0.391 -2.109 1.00 0.14 H new ATOM 0 HG12 VAL B 35 -7.007 -1.573 -3.283 1.00 0.14 H new ATOM 0 HG13 VAL B 35 -6.410 0.104 -3.303 1.00 0.14 H new ATOM 0 HG21 VAL B 35 -9.160 1.380 -2.811 1.00 0.09 H new ATOM 0 HG22 VAL B 35 -8.009 1.964 -4.036 1.00 0.09 H new ATOM 0 HG23 VAL B 35 -9.667 1.525 -4.510 1.00 0.09 H new ATOM 1965 N ALA B 36 -8.620 -2.597 -6.034 1.00 0.07 N ATOM 1966 CA ALA B 36 -8.456 -4.022 -6.276 1.00 0.07 C ATOM 1967 C ALA B 36 -7.686 -4.269 -7.566 1.00 0.09 C ATOM 1968 O ALA B 36 -6.748 -5.065 -7.600 1.00 0.09 O ATOM 1969 CB ALA B 36 -9.815 -4.697 -6.331 1.00 0.08 C ATOM 0 H ALA B 36 -9.588 -2.276 -6.062 1.00 0.07 H new ATOM 0 HA ALA B 36 -7.881 -4.449 -5.454 1.00 0.07 H new ATOM 0 HB1 ALA B 36 -9.684 -5.764 -6.513 1.00 0.08 H new ATOM 0 HB2 ALA B 36 -10.332 -4.551 -5.383 1.00 0.08 H new ATOM 0 HB3 ALA B 36 -10.405 -4.261 -7.137 1.00 0.08 H new ATOM 1975 N ALA B 37 -8.082 -3.564 -8.620 1.00 0.12 N ATOM 1976 CA ALA B 37 -7.443 -3.696 -9.923 1.00 0.15 C ATOM 1977 C ALA B 37 -5.977 -3.285 -9.854 1.00 0.17 C ATOM 1978 O ALA B 37 -5.125 -3.853 -10.544 1.00 0.19 O ATOM 1979 CB ALA B 37 -8.185 -2.865 -10.957 1.00 0.21 C ATOM 0 H ALA B 37 -8.848 -2.891 -8.596 1.00 0.12 H new ATOM 0 HA ALA B 37 -7.484 -4.743 -10.222 1.00 0.15 H new ATOM 0 HB1 ALA B 37 -7.698 -2.971 -11.927 1.00 0.21 H new ATOM 0 HB2 ALA B 37 -9.217 -3.210 -11.029 1.00 0.21 H new ATOM 0 HB3 ALA B 37 -8.173 -1.817 -10.658 1.00 0.21 H new ATOM 1985 N PHE B 38 -5.692 -2.299 -9.007 1.00 0.16 N ATOM 1986 CA PHE B 38 -4.335 -1.804 -8.824 1.00 0.18 C ATOM 1987 C PHE B 38 -3.423 -2.925 -8.337 1.00 0.15 C ATOM 1988 O PHE B 38 -2.391 -3.201 -8.943 1.00 0.16 O ATOM 1989 CB PHE B 38 -4.333 -0.642 -7.823 1.00 0.23 C ATOM 1990 CG PHE B 38 -3.000 0.043 -7.674 1.00 0.20 C ATOM 1991 CD1 PHE B 38 -2.467 0.788 -8.714 1.00 0.28 C ATOM 1992 CD2 PHE B 38 -2.283 -0.054 -6.490 1.00 0.37 C ATOM 1993 CE1 PHE B 38 -1.244 1.418 -8.580 1.00 0.27 C ATOM 1994 CE2 PHE B 38 -1.059 0.574 -6.349 1.00 0.36 C ATOM 1995 CZ PHE B 38 -0.539 1.313 -7.397 1.00 0.14 C ATOM 0 H PHE B 38 -6.390 -1.826 -8.434 1.00 0.16 H new ATOM 0 HA PHE B 38 -3.959 -1.445 -9.782 1.00 0.18 H new ATOM 0 HB2 PHE B 38 -5.074 0.094 -8.136 1.00 0.23 H new ATOM 0 HB3 PHE B 38 -4.647 -1.016 -6.849 1.00 0.23 H new ATOM 0 HD1 PHE B 38 -3.014 0.877 -9.641 1.00 0.28 H new ATOM 0 HD2 PHE B 38 -2.686 -0.627 -5.668 1.00 0.37 H new ATOM 0 HE1 PHE B 38 -0.840 1.992 -9.400 1.00 0.27 H new ATOM 0 HE2 PHE B 38 -0.510 0.488 -5.423 1.00 0.36 H new ATOM 0 HZ PHE B 38 0.416 1.806 -7.290 1.00 0.14 H new ATOM 2005 N VAL B 39 -3.824 -3.585 -7.257 1.00 0.14 N ATOM 2006 CA VAL B 39 -3.039 -4.675 -6.688 1.00 0.14 C ATOM 2007 C VAL B 39 -2.998 -5.874 -7.634 1.00 0.14 C ATOM 2008 O VAL B 39 -1.966 -6.537 -7.761 1.00 0.19 O ATOM 2009 CB VAL B 39 -3.591 -5.122 -5.316 1.00 0.15 C ATOM 2010 CG1 VAL B 39 -2.816 -6.313 -4.765 1.00 0.15 C ATOM 2011 CG2 VAL B 39 -3.555 -3.967 -4.333 1.00 0.22 C ATOM 0 H VAL B 39 -4.690 -3.384 -6.757 1.00 0.14 H new ATOM 0 HA VAL B 39 -2.027 -4.294 -6.547 1.00 0.14 H new ATOM 0 HB VAL B 39 -4.625 -5.435 -5.457 1.00 0.15 H new ATOM 0 HG11 VAL B 39 -3.231 -6.601 -3.799 1.00 0.15 H new ATOM 0 HG12 VAL B 39 -2.895 -7.150 -5.458 1.00 0.15 H new ATOM 0 HG13 VAL B 39 -1.768 -6.040 -4.643 1.00 0.15 H new ATOM 0 HG21 VAL B 39 -3.947 -4.296 -3.371 1.00 0.22 H new ATOM 0 HG22 VAL B 39 -2.527 -3.627 -4.209 1.00 0.22 H new ATOM 0 HG23 VAL B 39 -4.165 -3.147 -4.712 1.00 0.22 H new ATOM 2021 N ASP B 40 -4.116 -6.130 -8.302 1.00 0.14 N ATOM 2022 CA ASP B 40 -4.218 -7.242 -9.244 1.00 0.21 C ATOM 2023 C ASP B 40 -3.122 -7.146 -10.303 1.00 0.27 C ATOM 2024 O ASP B 40 -2.414 -8.116 -10.584 1.00 0.34 O ATOM 2025 CB ASP B 40 -5.594 -7.234 -9.923 1.00 0.21 C ATOM 2026 CG ASP B 40 -6.011 -8.599 -10.433 1.00 0.33 C ATOM 2027 OD1 ASP B 40 -5.300 -9.174 -11.285 1.00 0.47 O ATOM 2028 OD2 ASP B 40 -7.065 -9.102 -9.985 1.00 0.32 O1- ATOM 0 H ASP B 40 -4.970 -5.580 -8.209 1.00 0.14 H new ATOM 0 HA ASP B 40 -4.095 -8.174 -8.692 1.00 0.21 H new ATOM 0 HB2 ASP B 40 -6.340 -6.873 -9.215 1.00 0.21 H new ATOM 0 HB3 ASP B 40 -5.578 -6.531 -10.755 1.00 0.21 H new ATOM 2033 N ASP B 41 -2.973 -5.956 -10.864 1.00 0.28 N ATOM 2034 CA ASP B 41 -1.970 -5.714 -11.891 1.00 0.37 C ATOM 2035 C ASP B 41 -0.571 -5.652 -11.287 1.00 0.32 C ATOM 2036 O ASP B 41 0.382 -6.192 -11.850 1.00 0.32 O ATOM 2037 CB ASP B 41 -2.280 -4.412 -12.635 1.00 0.46 C ATOM 2038 CG ASP B 41 -1.480 -4.261 -13.912 1.00 0.78 C ATOM 2039 OD1 ASP B 41 -1.324 -5.260 -14.643 1.00 0.92 O ATOM 2040 OD2 ASP B 41 -1.023 -3.135 -14.201 1.00 1.11 O1- ATOM 0 H ASP B 41 -3.536 -5.140 -10.625 1.00 0.28 H new ATOM 0 HA ASP B 41 -2.000 -6.544 -12.596 1.00 0.37 H new ATOM 0 HB2 ASP B 41 -3.343 -4.379 -12.872 1.00 0.46 H new ATOM 0 HB3 ASP B 41 -2.073 -3.566 -11.980 1.00 0.46 H new ATOM 2045 N LYS B 42 -0.457 -5.008 -10.125 1.00 0.28 N ATOM 2046 CA LYS B 42 0.829 -4.875 -9.438 1.00 0.24 C ATOM 2047 C LYS B 42 1.444 -6.240 -9.152 1.00 0.20 C ATOM 2048 O LYS B 42 2.638 -6.451 -9.357 1.00 0.18 O ATOM 2049 CB LYS B 42 0.669 -4.106 -8.124 1.00 0.24 C ATOM 2050 CG LYS B 42 0.525 -2.598 -8.293 1.00 0.21 C ATOM 2051 CD LYS B 42 1.711 -1.839 -7.711 1.00 0.40 C ATOM 2052 CE LYS B 42 2.907 -1.876 -8.645 1.00 0.55 C ATOM 2053 NZ LYS B 42 2.629 -1.198 -9.938 1.00 0.48 N1+ ATOM 0 H LYS B 42 -1.240 -4.570 -9.639 1.00 0.28 H new ATOM 0 HA LYS B 42 1.494 -4.320 -10.100 1.00 0.24 H new ATOM 0 HB2 LYS B 42 -0.207 -4.486 -7.599 1.00 0.24 H new ATOM 0 HB3 LYS B 42 1.533 -4.308 -7.491 1.00 0.24 H new ATOM 0 HG2 LYS B 42 0.428 -2.360 -9.352 1.00 0.21 H new ATOM 0 HG3 LYS B 42 -0.392 -2.265 -7.806 1.00 0.21 H new ATOM 0 HD2 LYS B 42 1.426 -0.804 -7.524 1.00 0.40 H new ATOM 0 HD3 LYS B 42 1.985 -2.272 -6.749 1.00 0.40 H new ATOM 0 HE2 LYS B 42 3.759 -1.398 -8.161 1.00 0.55 H new ATOM 0 HE3 LYS B 42 3.188 -2.912 -8.833 1.00 0.55 H new ATOM 0 HZ1 LYS B 42 2.474 -1.912 -10.678 1.00 0.48 H new ATOM 0 HZ2 LYS B 42 1.779 -0.606 -9.844 1.00 0.48 H new ATOM 0 HZ3 LYS B 42 3.440 -0.601 -10.198 1.00 0.48 H new ATOM 2067 N MET B 43 0.630 -7.168 -8.672 1.00 0.21 N ATOM 2068 CA MET B 43 1.117 -8.504 -8.365 1.00 0.19 C ATOM 2069 C MET B 43 1.554 -9.222 -9.628 1.00 0.17 C ATOM 2070 O MET B 43 2.581 -9.891 -9.641 1.00 0.18 O ATOM 2071 CB MET B 43 0.049 -9.330 -7.655 1.00 0.24 C ATOM 2072 CG MET B 43 -0.112 -8.986 -6.183 1.00 0.25 C ATOM 2073 SD MET B 43 -1.205 -10.129 -5.320 1.00 0.31 S ATOM 2074 CE MET B 43 -0.263 -11.650 -5.428 1.00 0.24 C ATOM 0 H MET B 43 -0.363 -7.023 -8.488 1.00 0.21 H new ATOM 0 HA MET B 43 1.974 -8.393 -7.701 1.00 0.19 H new ATOM 0 HB2 MET B 43 -0.906 -9.184 -8.160 1.00 0.24 H new ATOM 0 HB3 MET B 43 0.299 -10.387 -7.747 1.00 0.24 H new ATOM 0 HG2 MET B 43 0.867 -8.993 -5.703 1.00 0.25 H new ATOM 0 HG3 MET B 43 -0.505 -7.974 -6.091 1.00 0.25 H new ATOM 0 HE1 MET B 43 -0.546 -12.312 -4.609 1.00 0.24 H new ATOM 0 HE2 MET B 43 -0.471 -12.140 -6.379 1.00 0.24 H new ATOM 0 HE3 MET B 43 0.801 -11.424 -5.361 1.00 0.24 H new ATOM 2084 N HIS B 44 0.781 -9.054 -10.696 1.00 0.16 N ATOM 2085 CA HIS B 44 1.075 -9.702 -11.969 1.00 0.19 C ATOM 2086 C HIS B 44 2.454 -9.318 -12.498 1.00 0.25 C ATOM 2087 O HIS B 44 3.250 -10.188 -12.847 1.00 0.61 O ATOM 2088 CB HIS B 44 0.005 -9.337 -13.004 1.00 0.26 C ATOM 2089 CG HIS B 44 0.218 -9.968 -14.347 1.00 0.47 C ATOM 2090 ND1 HIS B 44 0.704 -9.271 -15.430 1.00 0.54 N ATOM 2091 CD2 HIS B 44 0.009 -11.234 -14.779 1.00 1.09 C ATOM 2092 CE1 HIS B 44 0.789 -10.079 -16.467 1.00 1.18 C ATOM 2093 NE2 HIS B 44 0.372 -11.277 -16.102 1.00 1.53 N ATOM 0 H HIS B 44 -0.057 -8.472 -10.705 1.00 0.16 H new ATOM 0 HA HIS B 44 1.070 -10.778 -11.797 1.00 0.19 H new ATOM 0 HB2 HIS B 44 -0.972 -9.637 -12.624 1.00 0.26 H new ATOM 0 HB3 HIS B 44 -0.018 -8.254 -13.122 1.00 0.26 H new ATOM 0 HD2 HIS B 44 -0.372 -12.057 -14.192 1.00 1.09 H new ATOM 0 HE1 HIS B 44 1.141 -9.807 -17.451 1.00 1.18 H new ATOM 0 HE2 HIS B 44 0.327 -12.099 -16.704 1.00 1.53 H new ATOM 2102 N GLU B 45 2.737 -8.022 -12.540 1.00 0.14 N ATOM 2103 CA GLU B 45 4.016 -7.538 -13.055 1.00 0.11 C ATOM 2104 C GLU B 45 5.190 -7.978 -12.179 1.00 0.07 C ATOM 2105 O GLU B 45 6.271 -8.279 -12.685 1.00 0.03 O ATOM 2106 CB GLU B 45 4.003 -6.009 -13.187 1.00 0.10 C ATOM 2107 CG GLU B 45 3.823 -5.275 -11.865 1.00 0.07 C ATOM 2108 CD GLU B 45 4.072 -3.789 -11.980 1.00 0.22 C ATOM 2109 OE1 GLU B 45 5.219 -3.395 -12.269 1.00 0.49 O ATOM 2110 OE2 GLU B 45 3.125 -3.005 -11.769 1.00 0.43 O1- ATOM 0 H GLU B 45 2.102 -7.288 -12.225 1.00 0.14 H new ATOM 0 HA GLU B 45 4.153 -7.982 -14.041 1.00 0.11 H new ATOM 0 HB2 GLU B 45 4.938 -5.686 -13.646 1.00 0.10 H new ATOM 0 HB3 GLU B 45 3.199 -5.720 -13.864 1.00 0.10 H new ATOM 0 HG2 GLU B 45 2.810 -5.441 -11.498 1.00 0.07 H new ATOM 0 HG3 GLU B 45 4.504 -5.696 -11.125 1.00 0.07 H new ATOM 2117 N PHE B 46 4.976 -8.038 -10.873 1.00 0.11 N ATOM 2118 CA PHE B 46 6.042 -8.422 -9.957 1.00 0.10 C ATOM 2119 C PHE B 46 6.199 -9.938 -9.862 1.00 0.10 C ATOM 2120 O PHE B 46 7.237 -10.429 -9.417 1.00 0.11 O ATOM 2121 CB PHE B 46 5.807 -7.810 -8.573 1.00 0.11 C ATOM 2122 CG PHE B 46 6.200 -6.357 -8.504 1.00 0.13 C ATOM 2123 CD1 PHE B 46 7.510 -5.970 -8.737 1.00 0.16 C ATOM 2124 CD2 PHE B 46 5.260 -5.380 -8.224 1.00 0.14 C ATOM 2125 CE1 PHE B 46 7.873 -4.641 -8.693 1.00 0.17 C ATOM 2126 CE2 PHE B 46 5.623 -4.050 -8.174 1.00 0.14 C ATOM 2127 CZ PHE B 46 6.928 -3.680 -8.408 1.00 0.15 C ATOM 0 H PHE B 46 4.083 -7.828 -10.426 1.00 0.11 H new ATOM 0 HA PHE B 46 6.976 -8.029 -10.359 1.00 0.10 H new ATOM 0 HB2 PHE B 46 4.754 -7.910 -8.310 1.00 0.11 H new ATOM 0 HB3 PHE B 46 6.375 -8.371 -7.831 1.00 0.11 H new ATOM 0 HD1 PHE B 46 8.256 -6.719 -8.956 1.00 0.16 H new ATOM 0 HD2 PHE B 46 4.233 -5.662 -8.043 1.00 0.14 H new ATOM 0 HE1 PHE B 46 8.897 -4.354 -8.882 1.00 0.17 H new ATOM 0 HE2 PHE B 46 4.881 -3.297 -7.951 1.00 0.14 H new ATOM 0 HZ PHE B 46 7.211 -2.638 -8.368 1.00 0.15 H new ATOM 2137 N SER B 47 5.188 -10.681 -10.301 1.00 0.09 N ATOM 2138 CA SER B 47 5.251 -12.140 -10.265 1.00 0.10 C ATOM 2139 C SER B 47 6.376 -12.646 -11.164 1.00 0.09 C ATOM 2140 O SER B 47 6.996 -13.673 -10.890 1.00 0.13 O ATOM 2141 CB SER B 47 3.917 -12.754 -10.712 1.00 0.13 C ATOM 2142 OG SER B 47 2.874 -12.469 -9.791 1.00 0.49 O ATOM 0 H SER B 47 4.322 -10.302 -10.683 1.00 0.09 H new ATOM 0 HA SER B 47 5.450 -12.444 -9.237 1.00 0.10 H new ATOM 0 HB2 SER B 47 3.650 -12.368 -11.696 1.00 0.13 H new ATOM 0 HB3 SER B 47 4.029 -13.834 -10.813 1.00 0.13 H new ATOM 0 HG SER B 47 2.984 -11.560 -9.443 1.00 0.49 H new ATOM 2148 N GLU B 48 6.655 -11.889 -12.222 1.00 0.13 N ATOM 2149 CA GLU B 48 7.696 -12.253 -13.178 1.00 0.12 C ATOM 2150 C GLU B 48 9.088 -11.949 -12.633 1.00 0.09 C ATOM 2151 O GLU B 48 10.089 -12.435 -13.162 1.00 0.07 O ATOM 2152 CB GLU B 48 7.481 -11.510 -14.495 1.00 0.15 C ATOM 2153 CG GLU B 48 6.058 -11.590 -15.011 1.00 0.17 C ATOM 2154 CD GLU B 48 5.987 -11.453 -16.513 1.00 0.71 C ATOM 2155 OE1 GLU B 48 5.874 -10.315 -17.008 1.00 0.76 O1- ATOM 2156 OE2 GLU B 48 6.052 -12.489 -17.206 1.00 1.67 O ATOM 0 H GLU B 48 6.173 -11.017 -12.439 1.00 0.13 H new ATOM 0 HA GLU B 48 7.629 -13.327 -13.350 1.00 0.12 H new ATOM 0 HB2 GLU B 48 7.751 -10.463 -14.360 1.00 0.15 H new ATOM 0 HB3 GLU B 48 8.155 -11.919 -15.248 1.00 0.15 H new ATOM 0 HG2 GLU B 48 5.619 -12.542 -14.714 1.00 0.17 H new ATOM 0 HG3 GLU B 48 5.461 -10.805 -14.548 1.00 0.17 H new ATOM 2163 N LYS B 49 9.151 -11.150 -11.577 1.00 0.10 N ATOM 2164 CA LYS B 49 10.431 -10.791 -10.977 1.00 0.10 C ATOM 2165 C LYS B 49 10.987 -11.954 -10.168 1.00 0.15 C ATOM 2166 O LYS B 49 12.204 -12.070 -9.997 1.00 0.23 O ATOM 2167 CB LYS B 49 10.283 -9.552 -10.093 1.00 0.09 C ATOM 2168 CG LYS B 49 9.865 -8.299 -10.854 1.00 0.12 C ATOM 2169 CD LYS B 49 11.054 -7.426 -11.232 1.00 0.05 C ATOM 2170 CE LYS B 49 11.802 -7.983 -12.429 1.00 1.11 C ATOM 2171 NZ LYS B 49 12.892 -7.081 -12.873 1.00 1.14 N1+ ATOM 0 H LYS B 49 8.337 -10.740 -11.119 1.00 0.10 H new ATOM 0 HA LYS B 49 11.131 -10.561 -11.780 1.00 0.10 H new ATOM 0 HB2 LYS B 49 9.546 -9.757 -9.317 1.00 0.09 H new ATOM 0 HB3 LYS B 49 11.231 -9.361 -9.590 1.00 0.09 H new ATOM 0 HG2 LYS B 49 9.328 -8.588 -11.757 1.00 0.12 H new ATOM 0 HG3 LYS B 49 9.172 -7.720 -10.243 1.00 0.12 H new ATOM 0 HD2 LYS B 49 10.708 -6.417 -11.457 1.00 0.05 H new ATOM 0 HD3 LYS B 49 11.733 -7.348 -10.383 1.00 0.05 H new ATOM 0 HE2 LYS B 49 12.219 -8.957 -12.174 1.00 1.11 H new ATOM 0 HE3 LYS B 49 11.104 -8.140 -13.251 1.00 1.11 H new ATOM 0 HZ1 LYS B 49 13.377 -7.499 -13.692 1.00 1.14 H new ATOM 0 HZ2 LYS B 49 12.492 -6.159 -13.141 1.00 1.14 H new ATOM 0 HZ3 LYS B 49 13.573 -6.951 -12.097 1.00 1.14 H new ATOM 2185 N GLN B 50 10.084 -12.805 -9.679 1.00 0.20 N ATOM 2186 CA GLN B 50 10.444 -13.987 -8.895 1.00 0.30 C ATOM 2187 C GLN B 50 11.364 -13.639 -7.720 1.00 0.13 C ATOM 2188 O GLN B 50 12.546 -13.977 -7.729 1.00 0.29 O ATOM 2189 CB GLN B 50 11.112 -15.028 -9.797 1.00 0.53 C ATOM 2190 CG GLN B 50 10.210 -15.549 -10.906 1.00 1.05 C ATOM 2191 CD GLN B 50 10.988 -16.111 -12.080 1.00 1.30 C ATOM 2192 OE1 GLN B 50 12.110 -16.595 -11.929 1.00 1.37 O ATOM 2193 NE2 GLN B 50 10.393 -16.056 -13.260 1.00 1.60 N ATOM 0 H GLN B 50 9.079 -12.693 -9.816 1.00 0.20 H new ATOM 0 HA GLN B 50 9.525 -14.399 -8.479 1.00 0.30 H new ATOM 0 HB2 GLN B 50 12.004 -14.589 -10.243 1.00 0.53 H new ATOM 0 HB3 GLN B 50 11.442 -15.868 -9.185 1.00 0.53 H new ATOM 0 HG2 GLN B 50 9.558 -16.324 -10.504 1.00 1.05 H new ATOM 0 HG3 GLN B 50 9.567 -14.741 -11.255 1.00 1.05 H new ATOM 0 HE21 GLN B 50 9.462 -15.647 -13.343 1.00 1.60 H new ATOM 0 HE22 GLN B 50 10.865 -16.423 -14.087 1.00 1.60 H new ATOM 2202 N PRO B 51 10.833 -12.959 -6.688 1.00 0.16 N ATOM 2203 CA PRO B 51 11.630 -12.575 -5.521 1.00 0.27 C ATOM 2204 C PRO B 51 12.142 -13.789 -4.747 1.00 0.20 C ATOM 2205 O PRO B 51 13.346 -13.950 -4.547 1.00 0.19 O ATOM 2206 CB PRO B 51 10.669 -11.746 -4.662 1.00 0.48 C ATOM 2207 CG PRO B 51 9.296 -12.072 -5.152 1.00 0.51 C ATOM 2208 CD PRO B 51 9.438 -12.498 -6.588 1.00 0.41 C ATOM 0 HA PRO B 51 12.525 -12.023 -5.810 1.00 0.27 H new ATOM 0 HB2 PRO B 51 10.776 -11.994 -3.606 1.00 0.48 H new ATOM 0 HB3 PRO B 51 10.876 -10.681 -4.762 1.00 0.48 H new ATOM 0 HG2 PRO B 51 8.851 -12.868 -4.555 1.00 0.51 H new ATOM 0 HG3 PRO B 51 8.640 -11.206 -5.069 1.00 0.51 H new ATOM 0 HD2 PRO B 51 8.736 -13.293 -6.839 1.00 0.41 H new ATOM 0 HD3 PRO B 51 9.241 -11.671 -7.271 1.00 0.41 H new ATOM 2216 N MET B 52 11.218 -14.633 -4.311 1.00 0.17 N ATOM 2217 CA MET B 52 11.565 -15.836 -3.566 1.00 0.11 C ATOM 2218 C MET B 52 10.960 -17.070 -4.222 1.00 0.09 C ATOM 2219 O MET B 52 10.983 -18.153 -3.643 1.00 0.08 O ATOM 2220 CB MET B 52 11.073 -15.732 -2.120 1.00 0.12 C ATOM 2221 CG MET B 52 11.795 -14.679 -1.302 1.00 0.18 C ATOM 2222 SD MET B 52 13.556 -15.025 -1.130 1.00 0.26 S ATOM 2223 CE MET B 52 14.185 -13.382 -0.800 1.00 0.43 C ATOM 0 H MET B 52 10.217 -14.506 -4.461 1.00 0.17 H new ATOM 0 HA MET B 52 12.651 -15.931 -3.569 1.00 0.11 H new ATOM 0 HB2 MET B 52 10.006 -15.507 -2.124 1.00 0.12 H new ATOM 0 HB3 MET B 52 11.193 -16.701 -1.635 1.00 0.12 H new ATOM 0 HG2 MET B 52 11.664 -13.705 -1.773 1.00 0.18 H new ATOM 0 HG3 MET B 52 11.342 -14.618 -0.313 1.00 0.18 H new ATOM 0 HE1 MET B 52 14.940 -13.125 -1.543 1.00 0.43 H new ATOM 0 HE2 MET B 52 13.368 -12.663 -0.850 1.00 0.43 H new ATOM 0 HE3 MET B 52 14.631 -13.356 0.194 1.00 0.43 H new ATOM 2233 N LEU B 53 10.429 -16.898 -5.439 1.00 0.10 N ATOM 2234 CA LEU B 53 9.796 -17.993 -6.169 1.00 0.11 C ATOM 2235 C LEU B 53 8.726 -18.652 -5.307 1.00 0.08 C ATOM 2236 O LEU B 53 8.763 -19.856 -5.056 1.00 0.10 O ATOM 2237 CB LEU B 53 10.848 -19.016 -6.607 1.00 0.19 C ATOM 2238 CG LEU B 53 11.813 -18.522 -7.683 1.00 0.25 C ATOM 2239 CD1 LEU B 53 13.133 -19.260 -7.598 1.00 0.62 C ATOM 2240 CD2 LEU B 53 11.200 -18.696 -9.063 1.00 1.07 C ATOM 0 H LEU B 53 10.427 -16.007 -5.936 1.00 0.10 H new ATOM 0 HA LEU B 53 9.317 -17.591 -7.062 1.00 0.11 H new ATOM 0 HB2 LEU B 53 11.425 -19.320 -5.733 1.00 0.19 H new ATOM 0 HB3 LEU B 53 10.338 -19.905 -6.977 1.00 0.19 H new ATOM 0 HG LEU B 53 12.001 -17.462 -7.514 1.00 0.25 H new ATOM 0 HD11 LEU B 53 13.806 -18.893 -8.373 1.00 0.62 H new ATOM 0 HD12 LEU B 53 13.581 -19.092 -6.619 1.00 0.62 H new ATOM 0 HD13 LEU B 53 12.963 -20.327 -7.741 1.00 0.62 H new ATOM 0 HD21 LEU B 53 11.899 -18.340 -9.819 1.00 1.07 H new ATOM 0 HD22 LEU B 53 10.985 -19.751 -9.235 1.00 1.07 H new ATOM 0 HD23 LEU B 53 10.275 -18.123 -9.125 1.00 1.07 H new ATOM 2252 N ASP B 54 7.781 -17.840 -4.845 1.00 0.09 N ATOM 2253 CA ASP B 54 6.704 -18.309 -3.986 1.00 0.12 C ATOM 2254 C ASP B 54 5.559 -17.295 -3.997 1.00 0.10 C ATOM 2255 O ASP B 54 5.799 -16.087 -3.942 1.00 0.18 O ATOM 2256 CB ASP B 54 7.239 -18.520 -2.567 1.00 0.19 C ATOM 2257 CG ASP B 54 6.161 -18.862 -1.564 1.00 0.24 C ATOM 2258 OD1 ASP B 54 5.415 -19.838 -1.790 1.00 0.28 O1- ATOM 2259 OD2 ASP B 54 6.065 -18.163 -0.537 1.00 0.26 O ATOM 0 H ASP B 54 7.741 -16.843 -5.055 1.00 0.09 H new ATOM 0 HA ASP B 54 6.321 -19.260 -4.356 1.00 0.12 H new ATOM 0 HB2 ASP B 54 7.979 -19.320 -2.581 1.00 0.19 H new ATOM 0 HB3 ASP B 54 7.753 -17.616 -2.242 1.00 0.19 H new ATOM 2264 N VAL B 55 4.324 -17.787 -4.066 1.00 0.11 N ATOM 2265 CA VAL B 55 3.138 -16.926 -4.127 1.00 0.12 C ATOM 2266 C VAL B 55 3.011 -15.978 -2.919 1.00 0.08 C ATOM 2267 O VAL B 55 3.019 -14.759 -3.104 1.00 0.04 O ATOM 2268 CB VAL B 55 1.838 -17.748 -4.293 1.00 0.17 C ATOM 2269 CG1 VAL B 55 0.626 -16.832 -4.403 1.00 0.08 C ATOM 2270 CG2 VAL B 55 1.930 -18.654 -5.514 1.00 0.32 C ATOM 0 H VAL B 55 4.115 -18.785 -4.081 1.00 0.11 H new ATOM 0 HA VAL B 55 3.279 -16.306 -5.012 1.00 0.12 H new ATOM 0 HB VAL B 55 1.717 -18.370 -3.406 1.00 0.17 H new ATOM 0 HG11 VAL B 55 -0.275 -17.434 -4.519 1.00 0.08 H new ATOM 0 HG12 VAL B 55 0.544 -16.226 -3.500 1.00 0.08 H new ATOM 0 HG13 VAL B 55 0.740 -16.179 -5.269 1.00 0.08 H new ATOM 0 HG21 VAL B 55 1.006 -19.224 -5.614 1.00 0.32 H new ATOM 0 HG22 VAL B 55 2.081 -18.047 -6.407 1.00 0.32 H new ATOM 0 HG23 VAL B 55 2.769 -19.340 -5.396 1.00 0.32 H new ATOM 2280 N PRO B 56 2.878 -16.490 -1.672 1.00 0.10 N ATOM 2281 CA PRO B 56 2.752 -15.625 -0.490 1.00 0.10 C ATOM 2282 C PRO B 56 3.925 -14.656 -0.342 1.00 0.07 C ATOM 2283 O PRO B 56 3.742 -13.508 0.067 1.00 0.14 O ATOM 2284 CB PRO B 56 2.699 -16.598 0.696 1.00 0.14 C ATOM 2285 CG PRO B 56 3.133 -17.919 0.160 1.00 0.15 C ATOM 2286 CD PRO B 56 2.815 -17.919 -1.308 1.00 0.14 C ATOM 0 HA PRO B 56 1.869 -14.990 -0.561 1.00 0.10 H new ATOM 0 HB2 PRO B 56 3.356 -16.268 1.501 1.00 0.14 H new ATOM 0 HB3 PRO B 56 1.692 -16.656 1.109 1.00 0.14 H new ATOM 0 HG2 PRO B 56 4.200 -18.071 0.324 1.00 0.15 H new ATOM 0 HG3 PRO B 56 2.613 -18.732 0.668 1.00 0.15 H new ATOM 0 HD2 PRO B 56 3.534 -18.510 -1.875 1.00 0.14 H new ATOM 0 HD3 PRO B 56 1.830 -18.341 -1.506 1.00 0.14 H new ATOM 2294 N LYS B 57 5.124 -15.114 -0.690 1.00 0.09 N ATOM 2295 CA LYS B 57 6.323 -14.278 -0.597 1.00 0.06 C ATOM 2296 C LYS B 57 6.310 -13.181 -1.665 1.00 0.07 C ATOM 2297 O LYS B 57 6.985 -12.161 -1.533 1.00 0.12 O ATOM 2298 CB LYS B 57 7.589 -15.132 -0.732 1.00 0.12 C ATOM 2299 CG LYS B 57 8.148 -15.662 0.589 1.00 0.17 C ATOM 2300 CD LYS B 57 7.053 -16.025 1.584 1.00 0.47 C ATOM 2301 CE LYS B 57 7.454 -17.205 2.454 1.00 0.23 C ATOM 2302 NZ LYS B 57 7.436 -18.485 1.699 1.00 0.62 N1+ ATOM 0 H LYS B 57 5.294 -16.057 -1.039 1.00 0.09 H new ATOM 0 HA LYS B 57 6.325 -13.803 0.384 1.00 0.06 H new ATOM 0 HB2 LYS B 57 7.372 -15.978 -1.384 1.00 0.12 H new ATOM 0 HB3 LYS B 57 8.360 -14.539 -1.225 1.00 0.12 H new ATOM 0 HG2 LYS B 57 8.762 -16.541 0.393 1.00 0.17 H new ATOM 0 HG3 LYS B 57 8.801 -14.909 1.031 1.00 0.17 H new ATOM 0 HD2 LYS B 57 6.835 -15.164 2.216 1.00 0.47 H new ATOM 0 HD3 LYS B 57 6.136 -16.265 1.045 1.00 0.47 H new ATOM 0 HE2 LYS B 57 8.453 -17.036 2.857 1.00 0.23 H new ATOM 0 HE3 LYS B 57 6.775 -17.276 3.304 1.00 0.23 H new ATOM 0 HZ1 LYS B 57 7.225 -19.269 2.349 1.00 0.62 H new ATOM 0 HZ2 LYS B 57 6.705 -18.442 0.960 1.00 0.62 H new ATOM 0 HZ3 LYS B 57 8.365 -18.641 1.259 1.00 0.62 H new ATOM 2316 N LEU B 58 5.545 -13.401 -2.721 1.00 0.07 N ATOM 2317 CA LEU B 58 5.426 -12.427 -3.799 1.00 0.11 C ATOM 2318 C LEU B 58 4.365 -11.399 -3.431 1.00 0.11 C ATOM 2319 O LEU B 58 4.525 -10.204 -3.679 1.00 0.14 O ATOM 2320 CB LEU B 58 5.078 -13.149 -5.118 1.00 0.14 C ATOM 2321 CG LEU B 58 4.917 -12.282 -6.384 1.00 0.16 C ATOM 2322 CD1 LEU B 58 3.518 -11.687 -6.473 1.00 0.17 C ATOM 2323 CD2 LEU B 58 5.969 -11.183 -6.447 1.00 0.27 C ATOM 0 H LEU B 58 4.994 -14.248 -2.857 1.00 0.07 H new ATOM 0 HA LEU B 58 6.374 -11.908 -3.942 1.00 0.11 H new ATOM 0 HB2 LEU B 58 5.856 -13.887 -5.313 1.00 0.14 H new ATOM 0 HB3 LEU B 58 4.149 -13.698 -4.966 1.00 0.14 H new ATOM 0 HG LEU B 58 5.064 -12.938 -7.242 1.00 0.16 H new ATOM 0 HD11 LEU B 58 3.437 -11.082 -7.376 1.00 0.17 H new ATOM 0 HD12 LEU B 58 2.782 -12.491 -6.508 1.00 0.17 H new ATOM 0 HD13 LEU B 58 3.332 -11.062 -5.599 1.00 0.17 H new ATOM 0 HD21 LEU B 58 5.825 -10.593 -7.352 1.00 0.27 H new ATOM 0 HD22 LEU B 58 5.874 -10.538 -5.574 1.00 0.27 H new ATOM 0 HD23 LEU B 58 6.963 -11.631 -6.461 1.00 0.27 H new ATOM 2335 N ALA B 59 3.298 -11.877 -2.805 1.00 0.08 N ATOM 2336 CA ALA B 59 2.187 -11.028 -2.394 1.00 0.09 C ATOM 2337 C ALA B 59 2.643 -9.924 -1.441 1.00 0.14 C ATOM 2338 O ALA B 59 2.134 -8.803 -1.486 1.00 0.31 O ATOM 2339 CB ALA B 59 1.105 -11.869 -1.745 1.00 0.07 C ATOM 0 H ALA B 59 3.178 -12.862 -2.568 1.00 0.08 H new ATOM 0 HA ALA B 59 1.785 -10.547 -3.286 1.00 0.09 H new ATOM 0 HB1 ALA B 59 0.278 -11.227 -1.441 1.00 0.07 H new ATOM 0 HB2 ALA B 59 0.745 -12.611 -2.457 1.00 0.07 H new ATOM 0 HB3 ALA B 59 1.513 -12.374 -0.870 1.00 0.07 H new ATOM 2345 N VAL B 60 3.609 -10.237 -0.588 1.00 0.02 N ATOM 2346 CA VAL B 60 4.114 -9.258 0.366 1.00 0.05 C ATOM 2347 C VAL B 60 5.068 -8.274 -0.311 1.00 0.08 C ATOM 2348 O VAL B 60 5.234 -7.143 0.150 1.00 0.12 O ATOM 2349 CB VAL B 60 4.831 -9.907 1.571 1.00 0.07 C ATOM 2350 CG1 VAL B 60 3.888 -10.813 2.339 1.00 0.07 C ATOM 2351 CG2 VAL B 60 6.063 -10.674 1.131 1.00 0.13 C ATOM 0 H VAL B 60 4.056 -11.153 -0.536 1.00 0.02 H new ATOM 0 HA VAL B 60 3.238 -8.729 0.741 1.00 0.05 H new ATOM 0 HB VAL B 60 5.153 -9.104 2.234 1.00 0.07 H new ATOM 0 HG11 VAL B 60 4.417 -11.258 3.182 1.00 0.07 H new ATOM 0 HG12 VAL B 60 3.043 -10.231 2.707 1.00 0.07 H new ATOM 0 HG13 VAL B 60 3.526 -11.603 1.681 1.00 0.07 H new ATOM 0 HG21 VAL B 60 6.545 -11.119 2.002 1.00 0.13 H new ATOM 0 HG22 VAL B 60 5.772 -11.461 0.436 1.00 0.13 H new ATOM 0 HG23 VAL B 60 6.759 -9.994 0.639 1.00 0.13 H new ATOM 2361 N LEU B 61 5.679 -8.703 -1.416 1.00 0.08 N ATOM 2362 CA LEU B 61 6.609 -7.850 -2.152 1.00 0.11 C ATOM 2363 C LEU B 61 5.859 -6.658 -2.730 1.00 0.11 C ATOM 2364 O LEU B 61 6.396 -5.560 -2.844 1.00 0.13 O ATOM 2365 CB LEU B 61 7.302 -8.621 -3.284 1.00 0.13 C ATOM 2366 CG LEU B 61 8.497 -7.898 -3.911 1.00 0.17 C ATOM 2367 CD1 LEU B 61 9.774 -8.228 -3.156 1.00 0.17 C ATOM 2368 CD2 LEU B 61 8.634 -8.254 -5.389 1.00 0.17 C ATOM 0 H LEU B 61 5.547 -9.631 -1.818 1.00 0.08 H new ATOM 0 HA LEU B 61 7.376 -7.507 -1.458 1.00 0.11 H new ATOM 0 HB2 LEU B 61 7.639 -9.583 -2.897 1.00 0.13 H new ATOM 0 HB3 LEU B 61 6.570 -8.830 -4.065 1.00 0.13 H new ATOM 0 HG LEU B 61 8.323 -6.824 -3.839 1.00 0.17 H new ATOM 0 HD11 LEU B 61 10.613 -7.706 -3.615 1.00 0.17 H new ATOM 0 HD12 LEU B 61 9.675 -7.912 -2.117 1.00 0.17 H new ATOM 0 HD13 LEU B 61 9.951 -9.303 -3.193 1.00 0.17 H new ATOM 0 HD21 LEU B 61 9.490 -7.728 -5.812 1.00 0.17 H new ATOM 0 HD22 LEU B 61 8.781 -9.329 -5.492 1.00 0.17 H new ATOM 0 HD23 LEU B 61 7.729 -7.959 -5.920 1.00 0.17 H new ATOM 2380 N THR B 62 4.612 -6.891 -3.098 1.00 0.10 N ATOM 2381 CA THR B 62 3.774 -5.846 -3.641 1.00 0.09 C ATOM 2382 C THR B 62 3.312 -4.904 -2.538 1.00 0.09 C ATOM 2383 O THR B 62 3.323 -3.688 -2.705 1.00 0.08 O ATOM 2384 CB THR B 62 2.545 -6.441 -4.352 1.00 0.10 C ATOM 2385 OG1 THR B 62 2.434 -7.839 -4.044 1.00 0.18 O ATOM 2386 CG2 THR B 62 2.645 -6.260 -5.852 1.00 0.12 C ATOM 0 H THR B 62 4.158 -7.802 -3.029 1.00 0.10 H new ATOM 0 HA THR B 62 4.367 -5.289 -4.366 1.00 0.09 H new ATOM 0 HB THR B 62 1.659 -5.914 -3.998 1.00 0.10 H new ATOM 0 HG1 THR B 62 2.257 -7.950 -3.087 1.00 0.18 H new ATOM 0 HG21 THR B 62 1.764 -6.689 -6.330 1.00 0.12 H new ATOM 0 HG22 THR B 62 2.704 -5.197 -6.087 1.00 0.12 H new ATOM 0 HG23 THR B 62 3.539 -6.763 -6.220 1.00 0.12 H new ATOM 2394 N ALA B 63 2.938 -5.482 -1.399 1.00 0.10 N ATOM 2395 CA ALA B 63 2.456 -4.712 -0.257 1.00 0.11 C ATOM 2396 C ALA B 63 3.484 -3.689 0.210 1.00 0.11 C ATOM 2397 O ALA B 63 3.166 -2.515 0.391 1.00 0.12 O ATOM 2398 CB ALA B 63 2.096 -5.648 0.888 1.00 0.10 C ATOM 0 H ALA B 63 2.960 -6.490 -1.243 1.00 0.10 H new ATOM 0 HA ALA B 63 1.568 -4.167 -0.576 1.00 0.11 H new ATOM 0 HB1 ALA B 63 1.737 -5.064 1.736 1.00 0.10 H new ATOM 0 HB2 ALA B 63 1.315 -6.335 0.564 1.00 0.10 H new ATOM 0 HB3 ALA B 63 2.978 -6.215 1.185 1.00 0.10 H new ATOM 2404 N VAL B 64 4.718 -4.140 0.393 1.00 0.09 N ATOM 2405 CA VAL B 64 5.790 -3.270 0.857 1.00 0.10 C ATOM 2406 C VAL B 64 6.121 -2.171 -0.160 1.00 0.12 C ATOM 2407 O VAL B 64 6.426 -1.046 0.225 1.00 0.12 O ATOM 2408 CB VAL B 64 7.063 -4.082 1.215 1.00 0.10 C ATOM 2409 CG1 VAL B 64 7.672 -4.750 -0.008 1.00 0.12 C ATOM 2410 CG2 VAL B 64 8.087 -3.203 1.916 1.00 0.11 C ATOM 0 H VAL B 64 5.002 -5.106 0.227 1.00 0.09 H new ATOM 0 HA VAL B 64 5.428 -2.783 1.763 1.00 0.10 H new ATOM 0 HB VAL B 64 6.760 -4.873 1.901 1.00 0.10 H new ATOM 0 HG11 VAL B 64 8.561 -5.308 0.287 1.00 0.12 H new ATOM 0 HG12 VAL B 64 6.945 -5.432 -0.450 1.00 0.12 H new ATOM 0 HG13 VAL B 64 7.947 -3.990 -0.739 1.00 0.12 H new ATOM 0 HG21 VAL B 64 8.970 -3.795 2.157 1.00 0.11 H new ATOM 0 HG22 VAL B 64 8.370 -2.380 1.260 1.00 0.11 H new ATOM 0 HG23 VAL B 64 7.656 -2.804 2.834 1.00 0.11 H new ATOM 2420 N GLN B 65 6.024 -2.484 -1.449 1.00 0.15 N ATOM 2421 CA GLN B 65 6.328 -1.502 -2.487 1.00 0.19 C ATOM 2422 C GLN B 65 5.192 -0.498 -2.645 1.00 0.13 C ATOM 2423 O GLN B 65 5.431 0.693 -2.849 1.00 0.16 O ATOM 2424 CB GLN B 65 6.631 -2.192 -3.817 1.00 0.34 C ATOM 2425 CG GLN B 65 7.997 -2.867 -3.830 1.00 0.57 C ATOM 2426 CD GLN B 65 8.293 -3.560 -5.139 1.00 0.79 C ATOM 2427 OE1 GLN B 65 8.896 -2.982 -6.039 1.00 0.98 O ATOM 2428 NE2 GLN B 65 7.872 -4.807 -5.248 1.00 0.80 N ATOM 0 H GLN B 65 5.740 -3.400 -1.798 1.00 0.15 H new ATOM 0 HA GLN B 65 7.218 -0.954 -2.177 1.00 0.19 H new ATOM 0 HB2 GLN B 65 5.861 -2.936 -4.020 1.00 0.34 H new ATOM 0 HB3 GLN B 65 6.585 -1.458 -4.621 1.00 0.34 H new ATOM 0 HG2 GLN B 65 8.768 -2.121 -3.636 1.00 0.57 H new ATOM 0 HG3 GLN B 65 8.046 -3.594 -3.020 1.00 0.57 H new ATOM 0 HE21 GLN B 65 7.375 -5.247 -4.474 1.00 0.80 H new ATOM 0 HE22 GLN B 65 8.044 -5.330 -6.107 1.00 0.80 H new ATOM 2437 N ILE B 66 3.955 -0.977 -2.567 1.00 0.15 N ATOM 2438 CA ILE B 66 2.801 -0.101 -2.665 1.00 0.16 C ATOM 2439 C ILE B 66 2.813 0.878 -1.495 1.00 0.11 C ATOM 2440 O ILE B 66 2.528 2.069 -1.654 1.00 0.27 O ATOM 2441 CB ILE B 66 1.476 -0.905 -2.673 1.00 0.27 C ATOM 2442 CG1 ILE B 66 1.338 -1.678 -3.988 1.00 0.64 C ATOM 2443 CG2 ILE B 66 0.282 0.017 -2.466 1.00 0.89 C ATOM 2444 CD1 ILE B 66 0.326 -2.807 -3.936 1.00 1.38 C ATOM 0 H ILE B 66 3.730 -1.963 -2.437 1.00 0.15 H new ATOM 0 HA ILE B 66 2.860 0.444 -3.607 1.00 0.16 H new ATOM 0 HB ILE B 66 1.498 -1.617 -1.848 1.00 0.27 H new ATOM 0 HG12 ILE B 66 1.052 -0.983 -4.778 1.00 0.64 H new ATOM 0 HG13 ILE B 66 2.311 -2.088 -4.261 1.00 0.64 H new ATOM 0 HG21 ILE B 66 -0.637 -0.570 -2.475 1.00 0.89 H new ATOM 0 HG22 ILE B 66 0.378 0.526 -1.507 1.00 0.89 H new ATOM 0 HG23 ILE B 66 0.249 0.755 -3.267 1.00 0.89 H new ATOM 0 HD11 ILE B 66 0.287 -3.305 -4.905 1.00 1.38 H new ATOM 0 HD12 ILE B 66 0.621 -3.525 -3.170 1.00 1.38 H new ATOM 0 HD13 ILE B 66 -0.657 -2.403 -3.696 1.00 1.38 H new ATOM 2456 N ALA B 67 3.184 0.368 -0.328 1.00 0.16 N ATOM 2457 CA ALA B 67 3.256 1.176 0.878 1.00 0.13 C ATOM 2458 C ALA B 67 4.270 2.306 0.725 1.00 0.06 C ATOM 2459 O ALA B 67 3.949 3.466 0.983 1.00 0.09 O ATOM 2460 CB ALA B 67 3.609 0.311 2.077 1.00 0.16 C ATOM 0 H ALA B 67 3.441 -0.610 -0.193 1.00 0.16 H new ATOM 0 HA ALA B 67 2.275 1.621 1.042 1.00 0.13 H new ATOM 0 HB1 ALA B 67 3.659 0.932 2.972 1.00 0.16 H new ATOM 0 HB2 ALA B 67 2.846 -0.456 2.210 1.00 0.16 H new ATOM 0 HB3 ALA B 67 4.576 -0.164 1.911 1.00 0.16 H new ATOM 2466 N SER B 68 5.486 1.970 0.292 1.00 0.08 N ATOM 2467 CA SER B 68 6.537 2.968 0.114 1.00 0.06 C ATOM 2468 C SER B 68 6.143 4.001 -0.941 1.00 0.16 C ATOM 2469 O SER B 68 6.350 5.200 -0.751 1.00 0.21 O ATOM 2470 CB SER B 68 7.860 2.289 -0.265 1.00 0.06 C ATOM 2471 OG SER B 68 7.644 1.215 -1.164 1.00 0.28 O ATOM 0 H SER B 68 5.765 1.017 0.059 1.00 0.08 H new ATOM 0 HA SER B 68 6.671 3.491 1.061 1.00 0.06 H new ATOM 0 HB2 SER B 68 8.529 3.019 -0.720 1.00 0.06 H new ATOM 0 HB3 SER B 68 8.354 1.921 0.634 1.00 0.06 H new ATOM 0 HG SER B 68 6.803 1.356 -1.646 1.00 0.28 H new ATOM 2477 N GLU B 69 5.553 3.524 -2.036 1.00 0.26 N ATOM 2478 CA GLU B 69 5.120 4.397 -3.127 1.00 0.35 C ATOM 2479 C GLU B 69 4.184 5.496 -2.627 1.00 0.24 C ATOM 2480 O GLU B 69 4.282 6.651 -3.048 1.00 0.18 O ATOM 2481 CB GLU B 69 4.428 3.593 -4.238 1.00 0.52 C ATOM 2482 CG GLU B 69 5.281 3.426 -5.482 1.00 0.44 C ATOM 2483 CD GLU B 69 5.578 4.750 -6.152 1.00 1.20 C ATOM 2484 OE1 GLU B 69 4.621 5.418 -6.605 1.00 1.71 O ATOM 2485 OE2 GLU B 69 6.764 5.134 -6.227 1.00 1.60 O1- ATOM 0 H GLU B 69 5.363 2.534 -2.192 1.00 0.26 H new ATOM 0 HA GLU B 69 6.016 4.865 -3.535 1.00 0.35 H new ATOM 0 HB2 GLU B 69 4.164 2.608 -3.853 1.00 0.52 H new ATOM 0 HB3 GLU B 69 3.496 4.090 -4.509 1.00 0.52 H new ATOM 0 HG2 GLU B 69 6.218 2.937 -5.215 1.00 0.44 H new ATOM 0 HG3 GLU B 69 4.769 2.771 -6.187 1.00 0.44 H new ATOM 2492 N TYR B 70 3.282 5.144 -1.725 1.00 0.23 N ATOM 2493 CA TYR B 70 2.341 6.116 -1.188 1.00 0.15 C ATOM 2494 C TYR B 70 2.928 6.864 0.004 1.00 0.08 C ATOM 2495 O TYR B 70 2.579 8.020 0.256 1.00 0.12 O ATOM 2496 CB TYR B 70 1.028 5.439 -0.796 1.00 0.24 C ATOM 2497 CG TYR B 70 0.191 5.022 -1.983 1.00 0.32 C ATOM 2498 CD1 TYR B 70 -0.272 5.962 -2.895 1.00 0.57 C ATOM 2499 CD2 TYR B 70 -0.132 3.689 -2.192 1.00 0.75 C ATOM 2500 CE1 TYR B 70 -1.030 5.582 -3.985 1.00 0.56 C ATOM 2501 CE2 TYR B 70 -0.891 3.303 -3.279 1.00 0.85 C ATOM 2502 CZ TYR B 70 -1.336 4.252 -4.170 1.00 0.50 C ATOM 2503 OH TYR B 70 -2.085 3.867 -5.255 1.00 0.59 O ATOM 0 H TYR B 70 3.181 4.200 -1.351 1.00 0.23 H new ATOM 0 HA TYR B 70 2.139 6.844 -1.974 1.00 0.15 H new ATOM 0 HB2 TYR B 70 1.248 4.561 -0.189 1.00 0.24 H new ATOM 0 HB3 TYR B 70 0.448 6.120 -0.173 1.00 0.24 H new ATOM 0 HD1 TYR B 70 -0.036 7.006 -2.749 1.00 0.57 H new ATOM 0 HD2 TYR B 70 0.216 2.942 -1.494 1.00 0.75 H new ATOM 0 HE1 TYR B 70 -1.381 6.323 -4.688 1.00 0.56 H new ATOM 0 HE2 TYR B 70 -1.134 2.261 -3.429 1.00 0.85 H new ATOM 0 HH TYR B 70 -1.798 2.978 -5.552 1.00 0.59 H new ATOM 2513 N LEU B 71 3.826 6.213 0.735 1.00 0.09 N ATOM 2514 CA LEU B 71 4.452 6.831 1.899 1.00 0.17 C ATOM 2515 C LEU B 71 5.379 7.968 1.480 1.00 0.22 C ATOM 2516 O LEU B 71 5.453 8.996 2.153 1.00 0.26 O ATOM 2517 CB LEU B 71 5.217 5.801 2.737 1.00 0.24 C ATOM 2518 CG LEU B 71 4.414 5.182 3.902 1.00 0.27 C ATOM 2519 CD1 LEU B 71 5.071 3.906 4.420 1.00 0.32 C ATOM 2520 CD2 LEU B 71 4.254 6.177 5.046 1.00 0.32 C ATOM 0 H LEU B 71 4.136 5.260 0.543 1.00 0.09 H new ATOM 0 HA LEU B 71 3.655 7.243 2.517 1.00 0.17 H new ATOM 0 HB2 LEU B 71 5.553 4.998 2.081 1.00 0.24 H new ATOM 0 HB3 LEU B 71 6.110 6.276 3.143 1.00 0.24 H new ATOM 0 HG LEU B 71 3.429 4.929 3.511 1.00 0.27 H new ATOM 0 HD11 LEU B 71 4.479 3.498 5.239 1.00 0.32 H new ATOM 0 HD12 LEU B 71 5.129 3.174 3.615 1.00 0.32 H new ATOM 0 HD13 LEU B 71 6.076 4.133 4.777 1.00 0.32 H new ATOM 0 HD21 LEU B 71 3.685 5.715 5.853 1.00 0.32 H new ATOM 0 HD22 LEU B 71 5.237 6.468 5.416 1.00 0.32 H new ATOM 0 HD23 LEU B 71 3.725 7.061 4.688 1.00 0.32 H new ATOM 2532 N LYS B 72 6.085 7.788 0.370 1.00 0.23 N ATOM 2533 CA LYS B 72 6.988 8.822 -0.125 1.00 0.27 C ATOM 2534 C LYS B 72 6.192 9.976 -0.736 1.00 0.24 C ATOM 2535 O LYS B 72 6.720 11.067 -0.947 1.00 0.29 O ATOM 2536 CB LYS B 72 7.974 8.245 -1.149 1.00 0.31 C ATOM 2537 CG LYS B 72 7.332 7.816 -2.461 1.00 0.38 C ATOM 2538 CD LYS B 72 8.306 7.041 -3.340 1.00 0.40 C ATOM 2539 CE LYS B 72 9.397 7.941 -3.905 1.00 0.52 C ATOM 2540 NZ LYS B 72 8.861 8.923 -4.887 1.00 0.58 N1+ ATOM 0 H LYS B 72 6.051 6.943 -0.201 1.00 0.23 H new ATOM 0 HA LYS B 72 7.563 9.204 0.718 1.00 0.27 H new ATOM 0 HB2 LYS B 72 8.740 8.991 -1.359 1.00 0.31 H new ATOM 0 HB3 LYS B 72 8.479 7.386 -0.707 1.00 0.31 H new ATOM 0 HG2 LYS B 72 6.459 7.198 -2.253 1.00 0.38 H new ATOM 0 HG3 LYS B 72 6.979 8.696 -2.998 1.00 0.38 H new ATOM 0 HD2 LYS B 72 8.761 6.239 -2.759 1.00 0.40 H new ATOM 0 HD3 LYS B 72 7.762 6.571 -4.159 1.00 0.40 H new ATOM 0 HE2 LYS B 72 9.885 8.474 -3.089 1.00 0.52 H new ATOM 0 HE3 LYS B 72 10.159 7.328 -4.386 1.00 0.52 H new ATOM 0 HZ1 LYS B 72 9.648 9.348 -5.417 1.00 0.58 H new ATOM 0 HZ2 LYS B 72 8.220 8.439 -5.548 1.00 0.58 H new ATOM 0 HZ3 LYS B 72 8.340 9.669 -4.383 1.00 0.58 H new ATOM 2554 N LEU B 73 4.915 9.726 -1.005 1.00 0.17 N ATOM 2555 CA LEU B 73 4.041 10.739 -1.577 1.00 0.14 C ATOM 2556 C LEU B 73 3.512 11.638 -0.464 1.00 0.11 C ATOM 2557 O LEU B 73 3.600 12.862 -0.543 1.00 0.09 O ATOM 2558 CB LEU B 73 2.883 10.069 -2.342 1.00 0.13 C ATOM 2559 CG LEU B 73 2.126 10.932 -3.371 1.00 0.12 C ATOM 2560 CD1 LEU B 73 1.191 11.917 -2.684 1.00 0.08 C ATOM 2561 CD2 LEU B 73 3.088 11.668 -4.296 1.00 0.15 C ATOM 0 H LEU B 73 4.463 8.828 -0.835 1.00 0.17 H new ATOM 0 HA LEU B 73 4.602 11.350 -2.284 1.00 0.14 H new ATOM 0 HB2 LEU B 73 3.281 9.196 -2.860 1.00 0.13 H new ATOM 0 HB3 LEU B 73 2.161 9.704 -1.611 1.00 0.13 H new ATOM 0 HG LEU B 73 1.524 10.256 -3.978 1.00 0.12 H new ATOM 0 HD11 LEU B 73 0.672 12.511 -3.436 1.00 0.08 H new ATOM 0 HD12 LEU B 73 0.462 11.370 -2.086 1.00 0.08 H new ATOM 0 HD13 LEU B 73 1.769 12.576 -2.037 1.00 0.08 H new ATOM 0 HD21 LEU B 73 2.521 12.267 -5.009 1.00 0.15 H new ATOM 0 HD22 LEU B 73 3.733 12.320 -3.706 1.00 0.15 H new ATOM 0 HD23 LEU B 73 3.699 10.944 -4.835 1.00 0.15 H new ATOM 2573 N LYS B 74 2.973 11.021 0.584 1.00 0.11 N ATOM 2574 CA LYS B 74 2.447 11.769 1.723 1.00 0.10 C ATOM 2575 C LYS B 74 3.572 12.515 2.445 1.00 0.13 C ATOM 2576 O LYS B 74 3.328 13.489 3.163 1.00 0.13 O ATOM 2577 CB LYS B 74 1.702 10.846 2.703 1.00 0.12 C ATOM 2578 CG LYS B 74 2.548 9.714 3.282 1.00 0.20 C ATOM 2579 CD LYS B 74 3.223 10.106 4.588 1.00 0.28 C ATOM 2580 CE LYS B 74 2.308 9.910 5.783 1.00 0.32 C ATOM 2581 NZ LYS B 74 3.010 10.205 7.057 1.00 0.43 N1+ ATOM 0 H LYS B 74 2.889 10.008 0.669 1.00 0.11 H new ATOM 0 HA LYS B 74 1.734 12.498 1.339 1.00 0.10 H new ATOM 0 HB2 LYS B 74 1.314 11.448 3.525 1.00 0.12 H new ATOM 0 HB3 LYS B 74 0.842 10.414 2.191 1.00 0.12 H new ATOM 0 HG2 LYS B 74 1.917 8.841 3.450 1.00 0.20 H new ATOM 0 HG3 LYS B 74 3.308 9.423 2.556 1.00 0.20 H new ATOM 0 HD2 LYS B 74 4.126 9.511 4.722 1.00 0.28 H new ATOM 0 HD3 LYS B 74 3.533 11.150 4.537 1.00 0.28 H new ATOM 0 HE2 LYS B 74 1.437 10.559 5.687 1.00 0.32 H new ATOM 0 HE3 LYS B 74 1.941 8.884 5.797 1.00 0.32 H new ATOM 0 HZ1 LYS B 74 2.358 10.062 7.854 1.00 0.43 H new ATOM 0 HZ2 LYS B 74 3.826 9.569 7.159 1.00 0.43 H new ATOM 0 HZ3 LYS B 74 3.339 11.192 7.052 1.00 0.43 H new ATOM 2595 N GLU B 75 4.799 12.049 2.246 1.00 0.17 N ATOM 2596 CA GLU B 75 5.971 12.662 2.859 1.00 0.20 C ATOM 2597 C GLU B 75 6.157 14.082 2.327 1.00 0.16 C ATOM 2598 O GLU B 75 6.415 15.017 3.089 1.00 0.20 O ATOM 2599 CB GLU B 75 7.213 11.811 2.570 1.00 0.27 C ATOM 2600 CG GLU B 75 8.478 12.290 3.270 1.00 0.36 C ATOM 2601 CD GLU B 75 8.523 11.929 4.745 1.00 0.45 C ATOM 2602 OE1 GLU B 75 7.759 11.037 5.180 1.00 0.55 O ATOM 2603 OE2 GLU B 75 9.341 12.525 5.478 1.00 0.44 O1- ATOM 0 H GLU B 75 5.009 11.241 1.659 1.00 0.17 H new ATOM 0 HA GLU B 75 5.827 12.714 3.938 1.00 0.20 H new ATOM 0 HB2 GLU B 75 7.012 10.783 2.871 1.00 0.27 H new ATOM 0 HB3 GLU B 75 7.389 11.800 1.494 1.00 0.27 H new ATOM 0 HG2 GLU B 75 9.346 11.859 2.771 1.00 0.36 H new ATOM 0 HG3 GLU B 75 8.555 13.372 3.166 1.00 0.36 H new ATOM 2610 N GLU B 76 5.996 14.243 1.015 1.00 0.13 N ATOM 2611 CA GLU B 76 6.143 15.554 0.393 1.00 0.11 C ATOM 2612 C GLU B 76 4.920 16.418 0.690 1.00 0.08 C ATOM 2613 O GLU B 76 4.994 17.650 0.670 1.00 0.08 O ATOM 2614 CB GLU B 76 6.366 15.431 -1.120 1.00 0.17 C ATOM 2615 CG GLU B 76 5.092 15.266 -1.935 1.00 0.18 C ATOM 2616 CD GLU B 76 5.148 16.002 -3.259 1.00 0.21 C ATOM 2617 OE1 GLU B 76 6.125 15.797 -4.019 1.00 0.20 O ATOM 2618 OE2 GLU B 76 4.223 16.794 -3.546 1.00 0.34 O1- ATOM 0 H GLU B 76 5.766 13.488 0.368 1.00 0.13 H new ATOM 0 HA GLU B 76 7.024 16.035 0.818 1.00 0.11 H new ATOM 0 HB2 GLU B 76 6.893 16.318 -1.470 1.00 0.17 H new ATOM 0 HB3 GLU B 76 7.017 14.578 -1.310 1.00 0.17 H new ATOM 0 HG2 GLU B 76 4.918 14.206 -2.120 1.00 0.18 H new ATOM 0 HG3 GLU B 76 4.244 15.632 -1.356 1.00 0.18 H new ATOM 2625 N TYR B 77 3.800 15.760 0.983 1.00 0.07 N ATOM 2626 CA TYR B 77 2.558 16.451 1.302 1.00 0.11 C ATOM 2627 C TYR B 77 2.756 17.327 2.537 1.00 0.13 C ATOM 2628 O TYR B 77 2.177 18.402 2.650 1.00 0.22 O ATOM 2629 CB TYR B 77 1.430 15.431 1.530 1.00 0.13 C ATOM 2630 CG TYR B 77 0.097 16.025 1.954 1.00 0.15 C ATOM 2631 CD1 TYR B 77 -0.352 17.235 1.437 1.00 0.22 C ATOM 2632 CD2 TYR B 77 -0.720 15.362 2.866 1.00 0.12 C ATOM 2633 CE1 TYR B 77 -1.570 17.764 1.814 1.00 0.25 C ATOM 2634 CE2 TYR B 77 -1.942 15.887 3.247 1.00 0.14 C ATOM 2635 CZ TYR B 77 -2.360 17.089 2.720 1.00 0.20 C ATOM 2636 OH TYR B 77 -3.574 17.618 3.092 1.00 0.23 O ATOM 0 H TYR B 77 3.730 14.743 1.005 1.00 0.07 H new ATOM 0 HA TYR B 77 2.276 17.090 0.465 1.00 0.11 H new ATOM 0 HB2 TYR B 77 1.282 14.866 0.610 1.00 0.13 H new ATOM 0 HB3 TYR B 77 1.752 14.721 2.292 1.00 0.13 H new ATOM 0 HD1 TYR B 77 0.263 17.770 0.728 1.00 0.22 H new ATOM 0 HD2 TYR B 77 -0.394 14.421 3.284 1.00 0.12 H new ATOM 0 HE1 TYR B 77 -1.903 18.704 1.400 1.00 0.25 H new ATOM 0 HE2 TYR B 77 -2.564 15.358 3.953 1.00 0.14 H new ATOM 0 HH TYR B 77 -4.008 17.020 3.736 1.00 0.23 H new ATOM 2646 N GLN B 78 3.590 16.866 3.454 1.00 0.22 N ATOM 2647 CA GLN B 78 3.870 17.615 4.668 1.00 0.30 C ATOM 2648 C GLN B 78 4.930 18.682 4.408 1.00 0.37 C ATOM 2649 O GLN B 78 4.952 19.723 5.061 1.00 0.84 O ATOM 2650 CB GLN B 78 4.344 16.672 5.776 1.00 0.28 C ATOM 2651 CG GLN B 78 3.313 15.628 6.175 1.00 0.17 C ATOM 2652 CD GLN B 78 2.052 16.240 6.758 1.00 0.26 C ATOM 2653 OE1 GLN B 78 1.975 16.507 7.955 1.00 0.53 O ATOM 2654 NE2 GLN B 78 1.053 16.464 5.918 1.00 0.24 N ATOM 0 H GLN B 78 4.085 15.977 3.381 1.00 0.22 H new ATOM 0 HA GLN B 78 2.950 18.105 4.987 1.00 0.30 H new ATOM 0 HB2 GLN B 78 5.251 16.166 5.446 1.00 0.28 H new ATOM 0 HB3 GLN B 78 4.609 17.262 6.654 1.00 0.28 H new ATOM 0 HG2 GLN B 78 3.051 15.030 5.302 1.00 0.17 H new ATOM 0 HG3 GLN B 78 3.753 14.949 6.906 1.00 0.17 H new ATOM 0 HE21 GLN B 78 1.154 16.229 4.931 1.00 0.24 H new ATOM 0 HE22 GLN B 78 0.182 16.872 6.258 1.00 0.24 H new ATOM 2663 N ARG B 79 5.779 18.427 3.421 1.00 0.28 N ATOM 2664 CA ARG B 79 6.865 19.337 3.074 1.00 0.30 C ATOM 2665 C ARG B 79 6.356 20.636 2.443 1.00 0.27 C ATOM 2666 O ARG B 79 6.704 21.727 2.892 1.00 0.23 O ATOM 2667 CB ARG B 79 7.835 18.655 2.113 1.00 0.34 C ATOM 2668 CG ARG B 79 9.241 19.235 2.154 1.00 0.63 C ATOM 2669 CD ARG B 79 9.959 18.868 3.442 1.00 0.85 C ATOM 2670 NE ARG B 79 10.047 17.418 3.621 1.00 1.45 N ATOM 2671 CZ ARG B 79 9.627 16.769 4.707 1.00 1.28 C ATOM 2672 NH1 ARG B 79 9.073 17.430 5.715 1.00 0.73 N1+ ATOM 2673 NH2 ARG B 79 9.746 15.447 4.771 1.00 2.05 N ATOM 0 H ARG B 79 5.736 17.589 2.841 1.00 0.28 H new ATOM 0 HA ARG B 79 7.375 19.594 4.003 1.00 0.30 H new ATOM 0 HB2 ARG B 79 7.882 17.592 2.351 1.00 0.34 H new ATOM 0 HB3 ARG B 79 7.446 18.738 1.098 1.00 0.34 H new ATOM 0 HG2 ARG B 79 9.812 18.868 1.301 1.00 0.63 H new ATOM 0 HG3 ARG B 79 9.191 20.320 2.061 1.00 0.63 H new ATOM 0 HD2 ARG B 79 10.962 19.295 3.433 1.00 0.85 H new ATOM 0 HD3 ARG B 79 9.433 19.308 4.289 1.00 0.85 H new ATOM 0 HE ARG B 79 10.456 16.868 2.866 1.00 1.45 H new ATOM 0 HH11 ARG B 79 8.966 18.443 5.663 1.00 0.73 H new ATOM 0 HH12 ARG B 79 8.754 16.925 6.542 1.00 0.73 H new ATOM 0 HH21 ARG B 79 10.157 14.934 3.991 1.00 2.05 H new ATOM 0 HH22 ARG B 79 9.426 14.946 5.600 1.00 2.05 H new ATOM 2687 N LEU B 80 5.529 20.522 1.409 1.00 0.30 N ATOM 2688 CA LEU B 80 5.016 21.712 0.726 1.00 0.28 C ATOM 2689 C LEU B 80 3.988 22.455 1.579 1.00 0.23 C ATOM 2690 O LEU B 80 3.635 23.597 1.289 1.00 0.28 O ATOM 2691 CB LEU B 80 4.417 21.340 -0.636 1.00 0.31 C ATOM 2692 CG LEU B 80 2.895 21.165 -0.664 1.00 0.48 C ATOM 2693 CD1 LEU B 80 2.331 21.509 -2.035 1.00 0.79 C ATOM 2694 CD2 LEU B 80 2.524 19.743 -0.280 1.00 0.44 C ATOM 0 H LEU B 80 5.202 19.634 1.028 1.00 0.30 H new ATOM 0 HA LEU B 80 5.859 22.384 0.565 1.00 0.28 H new ATOM 0 HB2 LEU B 80 4.689 22.112 -1.356 1.00 0.31 H new ATOM 0 HB3 LEU B 80 4.878 20.412 -0.974 1.00 0.31 H new ATOM 0 HG LEU B 80 2.459 21.852 0.062 1.00 0.48 H new ATOM 0 HD11 LEU B 80 1.249 21.376 -2.027 1.00 0.79 H new ATOM 0 HD12 LEU B 80 2.568 22.545 -2.276 1.00 0.79 H new ATOM 0 HD13 LEU B 80 2.772 20.852 -2.785 1.00 0.79 H new ATOM 0 HD21 LEU B 80 1.440 19.631 -0.303 1.00 0.44 H new ATOM 0 HD22 LEU B 80 2.976 19.046 -0.985 1.00 0.44 H new ATOM 0 HD23 LEU B 80 2.889 19.530 0.725 1.00 0.44 H new ATOM 2706 N ARG B 81 3.521 21.812 2.636 1.00 0.20 N ATOM 2707 CA ARG B 81 2.540 22.427 3.517 1.00 0.15 C ATOM 2708 C ARG B 81 3.226 23.132 4.685 1.00 0.15 C ATOM 2709 O ARG B 81 2.686 24.086 5.243 1.00 0.43 O ATOM 2710 CB ARG B 81 1.546 21.380 4.029 1.00 0.22 C ATOM 2711 CG ARG B 81 0.580 20.878 2.963 1.00 0.32 C ATOM 2712 CD ARG B 81 -0.629 21.787 2.817 1.00 0.65 C ATOM 2713 NE ARG B 81 -1.185 22.167 4.117 1.00 1.05 N ATOM 2714 CZ ARG B 81 -2.135 21.484 4.756 1.00 1.70 C ATOM 2715 NH1 ARG B 81 -2.684 20.415 4.198 1.00 2.04 N1+ ATOM 2716 NH2 ARG B 81 -2.534 21.873 5.958 1.00 2.12 N ATOM 0 H ARG B 81 3.803 20.869 2.905 1.00 0.20 H new ATOM 0 HA ARG B 81 1.990 23.174 2.945 1.00 0.15 H new ATOM 0 HB2 ARG B 81 2.100 20.532 4.432 1.00 0.22 H new ATOM 0 HB3 ARG B 81 0.974 21.807 4.852 1.00 0.22 H new ATOM 0 HG2 ARG B 81 1.099 20.809 2.007 1.00 0.32 H new ATOM 0 HG3 ARG B 81 0.248 19.872 3.219 1.00 0.32 H new ATOM 0 HD2 ARG B 81 -0.345 22.684 2.267 1.00 0.65 H new ATOM 0 HD3 ARG B 81 -1.395 21.282 2.228 1.00 0.65 H new ATOM 0 HE ARG B 81 -0.822 23.009 4.563 1.00 1.05 H new ATOM 0 HH11 ARG B 81 -2.380 20.110 3.273 1.00 2.04 H new ATOM 0 HH12 ARG B 81 -3.410 19.898 4.693 1.00 2.04 H new ATOM 0 HH21 ARG B 81 -2.114 22.694 6.394 1.00 2.12 H new ATOM 0 HH22 ARG B 81 -3.261 21.351 6.448 1.00 2.12 H new