USER MOD reduce.3.24.130724 H: found=0, std=0, add=1127, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1128 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 130 LYS NZ :NH3+ -144:sc= 1.15 (180deg=-0.224) USER MOD Set 1.2: A 134 GLN : amide:sc= -0.943! C(o=0.21!,f=-14!) USER MOD Set 2.1: A 37 THR OG1 : rot -70:sc= 0.872 USER MOD Set 2.2: A 38 HIS :FLIP no HD1:sc= 0 F(o=-0.94,f=0.87) USER MOD Set 3.1: A 26 THR OG1 : rot 162:sc= 0.245 USER MOD Set 3.2: A 125 TYR OH : rot 180:sc= 0.232 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -93:sc= 0.98 USER MOD Single : A 39 THR OG1 : rot -21:sc= 1.16 USER MOD Single : A 42 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00153) USER MOD Single : A 45 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.095) USER MOD Single : A 46 LYS NZ :NH3+ 153:sc= 1.1 (180deg=0.28) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -138:sc= 0.172 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 58 HIS : no HD1:sc= -0.0939 X(o=-0.094,f=-0.016) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= 0.186 (180deg=-0.17) USER MOD Single : A 67 SER OG : rot 140:sc= -0.0679 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 165:sc= -0.731 USER MOD Single : A 91 HIS : no HD1:sc= -0.0975 X(o=-0.098,f=0.0046) USER MOD Single : A 92 ASN : amide:sc=-0.00457 X(o=-0.0046,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.0421 K(o=-0.042,f=-3.4!) USER MOD Single : A 104 THR OG1 : rot 39:sc= 0.0328 USER MOD Single : A 113 GLN : amide:sc= -0.787 K(o=-0.79,f=-4.9!) USER MOD Single : A 117 LYS NZ :NH3+ -137:sc= -0.0113 (180deg=-0.16) USER MOD Single : A 123 MET CE :methyl -156:sc= -0.194 (180deg=-0.986) USER MOD Single : A 126 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0212) USER MOD Single : A 128 MET CE :methyl 157:sc= -0.773 (180deg=-2.2) USER MOD Single : A 129 GLN : amide:sc= -0.815 K(o=-0.81,f=-1.5!) USER MOD Single : A 135 GLN : amide:sc= 0.858 K(o=0.86,f=-0.66) USER MOD Single : A 139 GLN : amide:sc= -0.972 K(o=-0.97,f=-5.6!) USER MOD Single : A 141 SER OG : rot -87:sc= 0.0699 USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 9 -4.578 20.143 -3.565 1.00 71.54 N ATOM 137 CA VAL A 9 -5.782 19.313 -3.386 1.00 64.31 C ATOM 138 C VAL A 9 -6.014 18.889 -1.917 1.00 40.13 C ATOM 139 O VAL A 9 -7.131 18.991 -1.404 1.00 54.20 O ATOM 140 CB VAL A 9 -5.728 18.053 -4.294 1.00 63.23 C ATOM 141 CG1 VAL A 9 -4.481 17.216 -4.006 1.00 2.13 C ATOM 142 CG2 VAL A 9 -7.001 17.216 -4.148 1.00 21.41 C ATOM 0 HA VAL A 9 -6.625 19.939 -3.679 1.00 64.31 H new ATOM 0 HB VAL A 9 -5.667 18.391 -5.329 1.00 63.23 H new ATOM 0 HG11 VAL A 9 -4.471 16.342 -4.657 1.00 2.13 H new ATOM 0 HG12 VAL A 9 -3.590 17.816 -4.191 1.00 2.13 H new ATOM 0 HG13 VAL A 9 -4.492 16.893 -2.965 1.00 2.13 H new ATOM 0 HG21 VAL A 9 -6.937 16.341 -4.794 1.00 21.41 H new ATOM 0 HG22 VAL A 9 -7.109 16.895 -3.112 1.00 21.41 H new ATOM 0 HG23 VAL A 9 -7.865 17.815 -4.434 1.00 21.41 H new ATOM 152 N SER A 10 -4.964 18.416 -1.245 1.00 44.14 N ATOM 153 CA SER A 10 -5.072 17.965 0.154 1.00 31.34 C ATOM 154 C SER A 10 -3.832 18.370 0.958 1.00 52.01 C ATOM 155 O SER A 10 -2.719 18.384 0.431 1.00 42.12 O ATOM 156 CB SER A 10 -5.261 16.443 0.218 1.00 74.30 C ATOM 157 OG SER A 10 -5.518 16.006 1.545 1.00 51.20 O ATOM 0 H SER A 10 -4.028 18.333 -1.641 1.00 44.14 H new ATOM 0 HA SER A 10 -5.944 18.449 0.594 1.00 31.34 H new ATOM 0 HB2 SER A 10 -6.088 16.150 -0.429 1.00 74.30 H new ATOM 0 HB3 SER A 10 -4.368 15.948 -0.163 1.00 74.30 H new ATOM 0 HG SER A 10 -5.635 15.033 1.552 1.00 51.20 H new ATOM 163 N GLU A 11 -4.021 18.689 2.237 1.00 34.54 N ATOM 164 CA GLU A 11 -2.929 19.198 3.076 1.00 3.35 C ATOM 165 C GLU A 11 -2.679 18.320 4.317 1.00 53.23 C ATOM 166 O GLU A 11 -3.408 17.364 4.592 1.00 4.42 O ATOM 167 CB GLU A 11 -3.223 20.645 3.521 1.00 3.42 C ATOM 168 CG GLU A 11 -4.301 20.782 4.605 1.00 70.53 C ATOM 169 CD GLU A 11 -5.714 20.489 4.116 1.00 35.34 C ATOM 170 OE1 GLU A 11 -6.092 19.302 4.032 1.00 53.25 O ATOM 171 OE2 GLU A 11 -6.459 21.449 3.830 1.00 63.32 O ATOM 0 H GLU A 11 -4.917 18.606 2.718 1.00 34.54 H new ATOM 0 HA GLU A 11 -2.027 19.173 2.465 1.00 3.35 H new ATOM 0 HB2 GLU A 11 -2.299 21.091 3.890 1.00 3.42 H new ATOM 0 HB3 GLU A 11 -3.530 21.222 2.649 1.00 3.42 H new ATOM 0 HG2 GLU A 11 -4.064 20.105 5.426 1.00 70.53 H new ATOM 0 HG3 GLU A 11 -4.270 21.794 5.008 1.00 70.53 H new ATOM 178 N LEU A 12 -1.616 18.661 5.046 1.00 53.43 N ATOM 179 CA LEU A 12 -1.271 18.012 6.320 1.00 31.32 C ATOM 180 C LEU A 12 -0.315 18.908 7.142 1.00 0.22 C ATOM 181 O LEU A 12 0.491 19.645 6.571 1.00 72.53 O ATOM 182 CB LEU A 12 -0.669 16.603 6.091 1.00 32.25 C ATOM 183 CG LEU A 12 0.051 16.367 4.748 1.00 35.33 C ATOM 184 CD1 LEU A 12 1.212 17.333 4.550 1.00 75.31 C ATOM 185 CD2 LEU A 12 0.529 14.919 4.653 1.00 15.00 C ATOM 0 H LEU A 12 -0.965 19.397 4.772 1.00 53.43 H new ATOM 0 HA LEU A 12 -2.189 17.880 6.893 1.00 31.32 H new ATOM 0 HB2 LEU A 12 0.037 16.400 6.896 1.00 32.25 H new ATOM 0 HB3 LEU A 12 -1.472 15.871 6.180 1.00 32.25 H new ATOM 0 HG LEU A 12 -0.665 16.556 3.948 1.00 35.33 H new ATOM 0 HD11 LEU A 12 1.692 17.133 3.592 1.00 75.31 H new ATOM 0 HD12 LEU A 12 0.839 18.357 4.562 1.00 75.31 H new ATOM 0 HD13 LEU A 12 1.936 17.201 5.354 1.00 75.31 H new ATOM 0 HD21 LEU A 12 1.036 14.765 3.700 1.00 15.00 H new ATOM 0 HD22 LEU A 12 1.220 14.710 5.470 1.00 15.00 H new ATOM 0 HD23 LEU A 12 -0.327 14.248 4.721 1.00 15.00 H new ATOM 197 N PRO A 13 -0.393 18.862 8.493 1.00 72.13 N ATOM 198 CA PRO A 13 0.377 19.775 9.374 1.00 54.43 C ATOM 199 C PRO A 13 1.910 19.632 9.250 1.00 22.13 C ATOM 200 O PRO A 13 2.650 20.587 9.501 1.00 32.40 O ATOM 201 CB PRO A 13 -0.090 19.387 10.788 1.00 12.12 C ATOM 202 CG PRO A 13 -0.637 18.005 10.648 1.00 51.12 C ATOM 203 CD PRO A 13 -1.236 17.935 9.272 1.00 40.50 C ATOM 0 HA PRO A 13 0.192 20.816 9.108 1.00 54.43 H new ATOM 0 HB2 PRO A 13 0.737 19.414 11.498 1.00 12.12 H new ATOM 0 HB3 PRO A 13 -0.849 20.077 11.156 1.00 12.12 H new ATOM 0 HG2 PRO A 13 0.149 17.260 10.770 1.00 51.12 H new ATOM 0 HG3 PRO A 13 -1.388 17.803 11.412 1.00 51.12 H new ATOM 0 HD2 PRO A 13 -1.202 16.923 8.868 1.00 40.50 H new ATOM 0 HD3 PRO A 13 -2.281 18.243 9.271 1.00 40.50 H new ATOM 211 N PHE A 14 2.379 18.449 8.867 1.00 53.12 N ATOM 212 CA PHE A 14 3.819 18.194 8.717 1.00 44.43 C ATOM 213 C PHE A 14 4.256 18.280 7.244 1.00 10.34 C ATOM 214 O PHE A 14 3.744 17.562 6.390 1.00 43.22 O ATOM 215 CB PHE A 14 4.181 16.822 9.318 1.00 32.30 C ATOM 216 CG PHE A 14 3.176 15.730 9.021 1.00 31.14 C ATOM 217 CD1 PHE A 14 3.270 14.961 7.869 1.00 31.13 C ATOM 218 CD2 PHE A 14 2.131 15.478 9.902 1.00 0.43 C ATOM 219 CE1 PHE A 14 2.347 13.968 7.603 1.00 3.05 C ATOM 220 CE2 PHE A 14 1.205 14.487 9.638 1.00 40.34 C ATOM 221 CZ PHE A 14 1.313 13.733 8.489 1.00 75.24 C ATOM 0 H PHE A 14 1.787 17.646 8.653 1.00 53.12 H new ATOM 0 HA PHE A 14 4.359 18.968 9.262 1.00 44.43 H new ATOM 0 HB2 PHE A 14 5.156 16.517 8.937 1.00 32.30 H new ATOM 0 HB3 PHE A 14 4.279 16.926 10.399 1.00 32.30 H new ATOM 0 HD1 PHE A 14 4.075 15.141 7.172 1.00 31.13 H new ATOM 0 HD2 PHE A 14 2.042 16.064 10.805 1.00 0.43 H new ATOM 0 HE1 PHE A 14 2.434 13.376 6.704 1.00 3.05 H new ATOM 0 HE2 PHE A 14 0.397 14.303 10.331 1.00 40.34 H new ATOM 0 HZ PHE A 14 0.589 12.959 8.281 1.00 75.24 H new ATOM 231 N GLU A 15 5.211 19.168 6.957 1.00 3.53 N ATOM 232 CA GLU A 15 5.696 19.381 5.579 1.00 70.11 C ATOM 233 C GLU A 15 7.043 18.676 5.312 1.00 1.23 C ATOM 234 O GLU A 15 7.601 18.770 4.216 1.00 13.11 O ATOM 235 CB GLU A 15 5.809 20.891 5.270 1.00 31.13 C ATOM 236 CG GLU A 15 6.221 21.770 6.457 1.00 21.10 C ATOM 237 CD GLU A 15 7.489 21.302 7.156 1.00 71.42 C ATOM 238 OE1 GLU A 15 8.597 21.576 6.645 1.00 40.52 O ATOM 239 OE2 GLU A 15 7.373 20.657 8.221 1.00 61.14 O ATOM 0 H GLU A 15 5.668 19.754 7.656 1.00 3.53 H new ATOM 0 HA GLU A 15 4.960 18.933 4.911 1.00 70.11 H new ATOM 0 HB2 GLU A 15 6.534 21.028 4.468 1.00 31.13 H new ATOM 0 HB3 GLU A 15 4.848 21.242 4.895 1.00 31.13 H new ATOM 0 HG2 GLU A 15 6.366 22.792 6.107 1.00 21.10 H new ATOM 0 HG3 GLU A 15 5.406 21.793 7.180 1.00 21.10 H new ATOM 246 N ARG A 16 7.554 17.963 6.313 1.00 11.12 N ATOM 247 CA ARG A 16 8.819 17.220 6.182 1.00 55.23 C ATOM 248 C ARG A 16 8.754 15.873 6.925 1.00 30.35 C ATOM 249 O ARG A 16 8.593 15.823 8.150 1.00 3.41 O ATOM 250 CB ARG A 16 9.988 18.070 6.705 1.00 23.20 C ATOM 251 CG ARG A 16 9.766 18.600 8.114 1.00 1.42 C ATOM 252 CD ARG A 16 10.866 19.554 8.557 1.00 45.40 C ATOM 253 NE ARG A 16 10.561 20.159 9.853 1.00 12.20 N ATOM 254 CZ ARG A 16 11.458 20.600 10.691 1.00 41.02 C ATOM 255 NH1 ARG A 16 12.721 20.470 10.436 1.00 44.22 N ATOM 256 NH2 ARG A 16 11.087 21.156 11.796 1.00 45.54 N ATOM 0 H ARG A 16 7.114 17.880 7.230 1.00 11.12 H new ATOM 0 HA ARG A 16 8.982 17.008 5.125 1.00 55.23 H new ATOM 0 HB2 ARG A 16 10.899 17.471 6.689 1.00 23.20 H new ATOM 0 HB3 ARG A 16 10.147 18.910 6.029 1.00 23.20 H new ATOM 0 HG2 ARG A 16 8.805 19.112 8.159 1.00 1.42 H new ATOM 0 HG3 ARG A 16 9.714 17.763 8.810 1.00 1.42 H new ATOM 0 HD2 ARG A 16 11.812 19.016 8.619 1.00 45.40 H new ATOM 0 HD3 ARG A 16 10.993 20.337 7.809 1.00 45.40 H new ATOM 0 HE ARG A 16 9.580 20.242 10.120 1.00 12.20 H new ATOM 0 HH11 ARG A 16 13.023 20.019 9.572 1.00 44.22 H new ATOM 0 HH12 ARG A 16 13.414 20.819 11.099 1.00 44.22 H new ATOM 0 HH21 ARG A 16 10.094 21.249 12.012 1.00 45.54 H new ATOM 0 HH22 ARG A 16 11.787 21.502 12.453 1.00 45.54 H new ATOM 270 N VAL A 17 8.876 14.779 6.174 1.00 63.32 N ATOM 271 CA VAL A 17 8.802 13.427 6.746 1.00 33.32 C ATOM 272 C VAL A 17 9.952 12.537 6.251 1.00 54.42 C ATOM 273 O VAL A 17 10.436 12.691 5.132 1.00 1.53 O ATOM 274 CB VAL A 17 7.452 12.741 6.411 1.00 70.41 C ATOM 275 CG1 VAL A 17 6.292 13.474 7.083 1.00 52.34 C ATOM 276 CG2 VAL A 17 7.241 12.659 4.897 1.00 34.31 C ATOM 0 H VAL A 17 9.027 14.799 5.165 1.00 63.32 H new ATOM 0 HA VAL A 17 8.885 13.546 7.826 1.00 33.32 H new ATOM 0 HB VAL A 17 7.483 11.724 6.801 1.00 70.41 H new ATOM 0 HG11 VAL A 17 5.355 12.976 6.835 1.00 52.34 H new ATOM 0 HG12 VAL A 17 6.433 13.465 8.164 1.00 52.34 H new ATOM 0 HG13 VAL A 17 6.260 14.505 6.730 1.00 52.34 H new ATOM 0 HG21 VAL A 17 6.287 12.174 4.688 1.00 34.31 H new ATOM 0 HG22 VAL A 17 7.237 13.664 4.475 1.00 34.31 H new ATOM 0 HG23 VAL A 17 8.048 12.080 4.448 1.00 34.31 H new ATOM 286 N TYR A 18 10.388 11.608 7.096 1.00 74.10 N ATOM 287 CA TYR A 18 11.459 10.670 6.738 1.00 2.42 C ATOM 288 C TYR A 18 10.927 9.231 6.659 1.00 21.00 C ATOM 289 O TYR A 18 10.485 8.670 7.661 1.00 72.40 O ATOM 290 CB TYR A 18 12.599 10.755 7.764 1.00 54.44 C ATOM 291 CG TYR A 18 13.736 9.781 7.504 1.00 13.11 C ATOM 292 CD1 TYR A 18 14.628 9.986 6.456 1.00 55.21 C ATOM 293 CD2 TYR A 18 13.920 8.659 8.308 1.00 11.34 C ATOM 294 CE1 TYR A 18 15.665 9.105 6.218 1.00 35.34 C ATOM 295 CE2 TYR A 18 14.955 7.776 8.074 1.00 43.32 C ATOM 296 CZ TYR A 18 15.825 8.003 7.029 1.00 1.13 C ATOM 297 OH TYR A 18 16.862 7.127 6.793 1.00 13.42 O ATOM 0 H TYR A 18 10.018 11.480 8.038 1.00 74.10 H new ATOM 0 HA TYR A 18 11.840 10.947 5.755 1.00 2.42 H new ATOM 0 HB2 TYR A 18 12.997 11.770 7.767 1.00 54.44 H new ATOM 0 HB3 TYR A 18 12.194 10.568 8.759 1.00 54.44 H new ATOM 0 HD1 TYR A 18 14.508 10.849 5.818 1.00 55.21 H new ATOM 0 HD2 TYR A 18 13.242 8.477 9.128 1.00 11.34 H new ATOM 0 HE1 TYR A 18 16.348 9.279 5.399 1.00 35.34 H new ATOM 0 HE2 TYR A 18 15.083 6.911 8.707 1.00 43.32 H new ATOM 0 HH TYR A 18 16.836 6.404 7.454 1.00 13.42 H new ATOM 307 N ILE A 19 10.971 8.642 5.468 1.00 25.02 N ATOM 308 CA ILE A 19 10.524 7.255 5.274 1.00 44.23 C ATOM 309 C ILE A 19 11.668 6.260 5.544 1.00 61.12 C ATOM 310 O ILE A 19 12.798 6.457 5.091 1.00 61.44 O ATOM 311 CB ILE A 19 9.980 7.032 3.839 1.00 12.11 C ATOM 312 CG1 ILE A 19 9.462 5.591 3.669 1.00 41.42 C ATOM 313 CG2 ILE A 19 11.053 7.348 2.798 1.00 55.52 C ATOM 314 CD1 ILE A 19 8.947 5.286 2.277 1.00 42.55 C ATOM 0 H ILE A 19 11.310 9.097 4.620 1.00 25.02 H new ATOM 0 HA ILE A 19 9.720 7.078 5.988 1.00 44.23 H new ATOM 0 HB ILE A 19 9.144 7.714 3.683 1.00 12.11 H new ATOM 0 HG12 ILE A 19 10.266 4.895 3.909 1.00 41.42 H new ATOM 0 HG13 ILE A 19 8.662 5.415 4.389 1.00 41.42 H new ATOM 0 HG21 ILE A 19 10.650 7.185 1.799 1.00 55.52 H new ATOM 0 HG22 ILE A 19 11.363 8.388 2.899 1.00 55.52 H new ATOM 0 HG23 ILE A 19 11.913 6.697 2.953 1.00 55.52 H new ATOM 0 HD11 ILE A 19 8.600 4.254 2.236 1.00 42.55 H new ATOM 0 HD12 ILE A 19 8.121 5.956 2.040 1.00 42.55 H new ATOM 0 HD13 ILE A 19 9.749 5.428 1.553 1.00 42.55 H new ATOM 326 N THR A 20 11.374 5.196 6.288 1.00 31.30 N ATOM 327 CA THR A 20 12.370 4.150 6.564 1.00 4.21 C ATOM 328 C THR A 20 11.778 2.739 6.404 1.00 62.11 C ATOM 329 O THR A 20 10.994 2.275 7.233 1.00 33.54 O ATOM 330 CB THR A 20 13.000 4.302 7.975 1.00 20.10 C ATOM 331 OG1 THR A 20 13.850 3.184 8.267 1.00 72.12 O ATOM 332 CG2 THR A 20 11.937 4.440 9.062 1.00 53.22 C ATOM 0 H THR A 20 10.461 5.031 6.711 1.00 31.30 H new ATOM 0 HA THR A 20 13.159 4.280 5.823 1.00 4.21 H new ATOM 0 HB THR A 20 13.592 5.217 7.967 1.00 20.10 H new ATOM 0 HG1 THR A 20 14.241 3.295 9.159 1.00 72.12 H new ATOM 0 HG21 THR A 20 12.421 4.544 10.033 1.00 53.22 H new ATOM 0 HG22 THR A 20 11.327 5.321 8.864 1.00 53.22 H new ATOM 0 HG23 THR A 20 11.303 3.553 9.066 1.00 53.22 H new ATOM 340 N ALA A 21 12.135 2.078 5.304 1.00 63.42 N ATOM 341 CA ALA A 21 11.709 0.698 5.044 1.00 12.31 C ATOM 342 C ALA A 21 12.864 -0.287 5.299 1.00 14.23 C ATOM 343 O ALA A 21 13.964 -0.103 4.777 1.00 34.52 O ATOM 344 CB ALA A 21 11.205 0.567 3.607 1.00 2.54 C ATOM 0 H ALA A 21 12.723 2.477 4.572 1.00 63.42 H new ATOM 0 HA ALA A 21 10.896 0.452 5.727 1.00 12.31 H new ATOM 0 HB1 ALA A 21 10.891 -0.461 3.424 1.00 2.54 H new ATOM 0 HB2 ALA A 21 10.359 1.237 3.456 1.00 2.54 H new ATOM 0 HB3 ALA A 21 12.005 0.831 2.915 1.00 2.54 H new ATOM 350 N PRO A 22 12.629 -1.350 6.094 1.00 43.24 N ATOM 351 CA PRO A 22 13.675 -2.331 6.443 1.00 33.22 C ATOM 352 C PRO A 22 14.319 -2.987 5.210 1.00 65.00 C ATOM 353 O PRO A 22 15.522 -3.261 5.193 1.00 5.12 O ATOM 354 CB PRO A 22 12.922 -3.379 7.290 1.00 64.43 C ATOM 355 CG PRO A 22 11.479 -3.161 6.977 1.00 23.51 C ATOM 356 CD PRO A 22 11.340 -1.689 6.715 1.00 22.25 C ATOM 0 HA PRO A 22 14.507 -1.860 6.966 1.00 33.22 H new ATOM 0 HB2 PRO A 22 13.233 -4.392 7.034 1.00 64.43 H new ATOM 0 HB3 PRO A 22 13.120 -3.244 8.353 1.00 64.43 H new ATOM 0 HG2 PRO A 22 11.174 -3.744 6.108 1.00 23.51 H new ATOM 0 HG3 PRO A 22 10.846 -3.473 7.808 1.00 23.51 H new ATOM 0 HD2 PRO A 22 10.502 -1.473 6.053 1.00 22.25 H new ATOM 0 HD3 PRO A 22 11.173 -1.128 7.634 1.00 22.25 H new ATOM 364 N ALA A 23 13.516 -3.223 4.174 1.00 65.02 N ATOM 365 CA ALA A 23 13.993 -3.864 2.943 1.00 15.13 C ATOM 366 C ALA A 23 13.320 -3.258 1.705 1.00 12.03 C ATOM 367 O ALA A 23 12.419 -2.424 1.821 1.00 73.23 O ATOM 368 CB ALA A 23 13.737 -5.365 3.007 1.00 21.02 C ATOM 0 H ALA A 23 12.526 -2.979 4.160 1.00 65.02 H new ATOM 0 HA ALA A 23 15.065 -3.688 2.858 1.00 15.13 H new ATOM 0 HB1 ALA A 23 14.093 -5.834 2.090 1.00 21.02 H new ATOM 0 HB2 ALA A 23 14.266 -5.788 3.861 1.00 21.02 H new ATOM 0 HB3 ALA A 23 12.668 -5.547 3.116 1.00 21.02 H new ATOM 374 N GLY A 24 13.762 -3.682 0.521 1.00 61.34 N ATOM 375 CA GLY A 24 13.175 -3.195 -0.722 1.00 3.53 C ATOM 376 C GLY A 24 11.737 -3.662 -0.920 1.00 31.23 C ATOM 377 O GLY A 24 11.470 -4.614 -1.659 1.00 21.11 O ATOM 0 H GLY A 24 14.518 -4.356 0.399 1.00 61.34 H new ATOM 0 HA2 GLY A 24 13.202 -2.105 -0.729 1.00 3.53 H new ATOM 0 HA3 GLY A 24 13.781 -3.534 -1.562 1.00 3.53 H new ATOM 381 N LEU A 25 10.809 -2.999 -0.244 1.00 24.21 N ATOM 382 CA LEU A 25 9.391 -3.350 -0.312 1.00 21.41 C ATOM 383 C LEU A 25 8.679 -2.569 -1.428 1.00 65.42 C ATOM 384 O LEU A 25 8.722 -1.334 -1.448 1.00 32.01 O ATOM 385 CB LEU A 25 8.726 -3.054 1.039 1.00 44.42 C ATOM 386 CG LEU A 25 9.341 -3.779 2.248 1.00 33.21 C ATOM 387 CD1 LEU A 25 8.763 -3.238 3.554 1.00 21.43 C ATOM 388 CD2 LEU A 25 9.120 -5.286 2.143 1.00 72.53 C ATOM 0 H LEU A 25 11.013 -2.206 0.365 1.00 24.21 H new ATOM 0 HA LEU A 25 9.308 -4.413 -0.539 1.00 21.41 H new ATOM 0 HB2 LEU A 25 8.770 -1.980 1.219 1.00 44.42 H new ATOM 0 HB3 LEU A 25 7.672 -3.323 0.973 1.00 44.42 H new ATOM 0 HG LEU A 25 10.415 -3.591 2.248 1.00 33.21 H new ATOM 0 HD11 LEU A 25 9.212 -3.765 4.396 1.00 21.43 H new ATOM 0 HD12 LEU A 25 8.980 -2.173 3.635 1.00 21.43 H new ATOM 0 HD13 LEU A 25 7.684 -3.390 3.565 1.00 21.43 H new ATOM 0 HD21 LEU A 25 9.563 -5.780 3.008 1.00 72.53 H new ATOM 0 HD22 LEU A 25 8.051 -5.496 2.113 1.00 72.53 H new ATOM 0 HD23 LEU A 25 9.589 -5.660 1.233 1.00 72.53 H new ATOM 400 N THR A 26 8.023 -3.285 -2.349 1.00 1.33 N ATOM 401 CA THR A 26 7.245 -2.643 -3.425 1.00 62.32 C ATOM 402 C THR A 26 6.053 -1.860 -2.856 1.00 71.33 C ATOM 403 O THR A 26 4.901 -2.288 -2.937 1.00 32.03 O ATOM 404 CB THR A 26 6.729 -3.670 -4.466 1.00 52.14 C ATOM 405 OG1 THR A 26 5.967 -4.699 -3.811 1.00 0.24 O ATOM 406 CG2 THR A 26 7.887 -4.298 -5.237 1.00 11.44 C ATOM 0 H THR A 26 8.013 -4.305 -2.374 1.00 1.33 H new ATOM 0 HA THR A 26 7.926 -1.955 -3.927 1.00 62.32 H new ATOM 0 HB THR A 26 6.090 -3.141 -5.173 1.00 52.14 H new ATOM 0 HG1 THR A 26 5.412 -5.165 -4.471 1.00 0.24 H new ATOM 0 HG21 THR A 26 7.497 -5.014 -5.960 1.00 11.44 H new ATOM 0 HG22 THR A 26 8.441 -3.519 -5.761 1.00 11.44 H new ATOM 0 HG23 THR A 26 8.552 -4.810 -4.542 1.00 11.44 H new ATOM 414 N ILE A 27 6.361 -0.710 -2.270 1.00 34.40 N ATOM 415 CA ILE A 27 5.375 0.130 -1.584 1.00 4.43 C ATOM 416 C ILE A 27 6.053 1.409 -1.064 1.00 71.41 C ATOM 417 O ILE A 27 5.465 2.490 -1.074 1.00 62.44 O ATOM 418 CB ILE A 27 4.704 -0.626 -0.393 1.00 14.33 C ATOM 419 CG1 ILE A 27 3.536 0.191 0.198 1.00 32.14 C ATOM 420 CG2 ILE A 27 5.731 -0.971 0.689 1.00 73.54 C ATOM 421 CD1 ILE A 27 2.349 0.326 -0.736 1.00 22.10 C ATOM 0 H ILE A 27 7.306 -0.327 -2.255 1.00 34.40 H new ATOM 0 HA ILE A 27 4.597 0.386 -2.303 1.00 4.43 H new ATOM 0 HB ILE A 27 4.297 -1.560 -0.781 1.00 14.33 H new ATOM 0 HG12 ILE A 27 3.206 -0.281 1.123 1.00 32.14 H new ATOM 0 HG13 ILE A 27 3.896 1.186 0.459 1.00 32.14 H new ATOM 0 HG21 ILE A 27 5.236 -1.497 1.506 1.00 73.54 H new ATOM 0 HG22 ILE A 27 6.507 -1.608 0.264 1.00 73.54 H new ATOM 0 HG23 ILE A 27 6.182 -0.054 1.068 1.00 73.54 H new ATOM 0 HD11 ILE A 27 1.569 0.913 -0.251 1.00 22.10 H new ATOM 0 HD12 ILE A 27 2.662 0.826 -1.652 1.00 22.10 H new ATOM 0 HD13 ILE A 27 1.961 -0.664 -0.977 1.00 22.10 H new ATOM 433 N GLY A 28 7.312 1.270 -0.630 1.00 42.41 N ATOM 434 CA GLY A 28 8.075 2.406 -0.119 1.00 70.05 C ATOM 435 C GLY A 28 8.403 3.436 -1.195 1.00 21.41 C ATOM 436 O GLY A 28 8.194 4.633 -1.003 1.00 55.10 O ATOM 0 H GLY A 28 7.818 0.385 -0.624 1.00 42.41 H new ATOM 0 HA2 GLY A 28 7.508 2.889 0.677 1.00 70.05 H new ATOM 0 HA3 GLY A 28 9.003 2.044 0.324 1.00 70.05 H new ATOM 440 N SER A 29 8.923 2.965 -2.330 1.00 53.20 N ATOM 441 CA SER A 29 9.230 3.838 -3.478 1.00 34.14 C ATOM 442 C SER A 29 8.016 4.696 -3.869 1.00 40.34 C ATOM 443 O SER A 29 8.139 5.897 -4.123 1.00 51.11 O ATOM 444 CB SER A 29 9.684 2.997 -4.683 1.00 61.13 C ATOM 445 OG SER A 29 10.005 3.813 -5.799 1.00 4.31 O ATOM 0 H SER A 29 9.143 1.981 -2.485 1.00 53.20 H new ATOM 0 HA SER A 29 10.038 4.506 -3.180 1.00 34.14 H new ATOM 0 HB2 SER A 29 10.554 2.402 -4.405 1.00 61.13 H new ATOM 0 HB3 SER A 29 8.894 2.298 -4.958 1.00 61.13 H new ATOM 0 HG SER A 29 10.291 3.247 -6.546 1.00 4.31 H new ATOM 451 N ASP A 30 6.843 4.068 -3.918 1.00 25.54 N ATOM 452 CA ASP A 30 5.592 4.779 -4.197 1.00 23.14 C ATOM 453 C ASP A 30 5.232 5.723 -3.039 1.00 75.31 C ATOM 454 O ASP A 30 4.865 6.879 -3.255 1.00 53.35 O ATOM 455 CB ASP A 30 4.464 3.769 -4.422 1.00 4.13 C ATOM 456 CG ASP A 30 4.834 2.729 -5.460 1.00 22.34 C ATOM 457 OD1 ASP A 30 5.481 1.724 -5.094 1.00 40.03 O ATOM 458 OD2 ASP A 30 4.492 2.912 -6.645 1.00 12.20 O ATOM 0 H ASP A 30 6.730 3.065 -3.768 1.00 25.54 H new ATOM 0 HA ASP A 30 5.725 5.379 -5.097 1.00 23.14 H new ATOM 0 HB2 ASP A 30 4.227 3.274 -3.480 1.00 4.13 H new ATOM 0 HB3 ASP A 30 3.564 4.295 -4.740 1.00 4.13 H new ATOM 463 N LEU A 31 5.357 5.218 -1.812 1.00 72.24 N ATOM 464 CA LEU A 31 5.074 6.000 -0.602 1.00 25.45 C ATOM 465 C LEU A 31 5.860 7.320 -0.597 1.00 74.11 C ATOM 466 O LEU A 31 5.355 8.355 -0.159 1.00 24.01 O ATOM 467 CB LEU A 31 5.416 5.170 0.646 1.00 22.24 C ATOM 468 CG LEU A 31 5.046 5.807 1.996 1.00 34.42 C ATOM 469 CD1 LEU A 31 3.554 6.109 2.061 1.00 42.42 C ATOM 470 CD2 LEU A 31 5.458 4.900 3.152 1.00 21.42 C ATOM 0 H LEU A 31 5.656 4.261 -1.626 1.00 72.24 H new ATOM 0 HA LEU A 31 4.012 6.244 -0.592 1.00 25.45 H new ATOM 0 HB2 LEU A 31 4.910 4.208 0.569 1.00 22.24 H new ATOM 0 HB3 LEU A 31 6.487 4.968 0.642 1.00 22.24 H new ATOM 0 HG LEU A 31 5.590 6.747 2.086 1.00 34.42 H new ATOM 0 HD11 LEU A 31 3.316 6.559 3.025 1.00 42.42 H new ATOM 0 HD12 LEU A 31 3.288 6.801 1.262 1.00 42.42 H new ATOM 0 HD13 LEU A 31 2.990 5.184 1.943 1.00 42.42 H new ATOM 0 HD21 LEU A 31 5.187 5.370 4.097 1.00 21.42 H new ATOM 0 HD22 LEU A 31 4.946 3.942 3.063 1.00 21.42 H new ATOM 0 HD23 LEU A 31 6.536 4.740 3.122 1.00 21.42 H new ATOM 482 N GLU A 32 7.096 7.270 -1.095 1.00 42.14 N ATOM 483 CA GLU A 32 7.926 8.470 -1.233 1.00 14.22 C ATOM 484 C GLU A 32 7.257 9.521 -2.138 1.00 71.41 C ATOM 485 O GLU A 32 7.109 10.684 -1.756 1.00 21.35 O ATOM 486 CB GLU A 32 9.310 8.102 -1.801 1.00 61.33 C ATOM 487 CG GLU A 32 10.161 7.237 -0.870 1.00 22.40 C ATOM 488 CD GLU A 32 11.473 6.777 -1.503 1.00 41.50 C ATOM 489 OE1 GLU A 32 12.164 7.604 -2.142 1.00 53.30 O ATOM 490 OE2 GLU A 32 11.827 5.585 -1.355 1.00 31.25 O ATOM 0 H GLU A 32 7.546 6.411 -1.410 1.00 42.14 H new ATOM 0 HA GLU A 32 8.044 8.902 -0.239 1.00 14.22 H new ATOM 0 HB2 GLU A 32 9.174 7.574 -2.745 1.00 61.33 H new ATOM 0 HB3 GLU A 32 9.854 9.020 -2.024 1.00 61.33 H new ATOM 0 HG2 GLU A 32 10.381 7.800 0.037 1.00 22.40 H new ATOM 0 HG3 GLU A 32 9.584 6.362 -0.570 1.00 22.40 H new ATOM 497 N ARG A 33 6.844 9.102 -3.334 1.00 24.15 N ATOM 498 CA ARG A 33 6.235 10.018 -4.311 1.00 43.02 C ATOM 499 C ARG A 33 4.829 10.472 -3.884 1.00 22.02 C ATOM 500 O ARG A 33 4.586 11.663 -3.707 1.00 61.52 O ATOM 501 CB ARG A 33 6.158 9.364 -5.698 1.00 12.43 C ATOM 502 CG ARG A 33 7.513 8.983 -6.286 1.00 40.11 C ATOM 503 CD ARG A 33 7.387 8.501 -7.729 1.00 54.32 C ATOM 504 NE ARG A 33 8.659 8.022 -8.263 1.00 31.33 N ATOM 505 CZ ARG A 33 8.872 7.747 -9.521 1.00 64.15 C ATOM 506 NH1 ARG A 33 7.954 7.956 -10.409 1.00 21.22 N ATOM 507 NH2 ARG A 33 10.012 7.271 -9.897 1.00 23.11 N ATOM 0 H ARG A 33 6.918 8.136 -3.654 1.00 24.15 H new ATOM 0 HA ARG A 33 6.877 10.897 -4.356 1.00 43.02 H new ATOM 0 HB2 ARG A 33 5.539 8.469 -5.632 1.00 12.43 H new ATOM 0 HB3 ARG A 33 5.657 10.048 -6.383 1.00 12.43 H new ATOM 0 HG2 ARG A 33 8.182 9.843 -6.247 1.00 40.11 H new ATOM 0 HG3 ARG A 33 7.966 8.199 -5.679 1.00 40.11 H new ATOM 0 HD2 ARG A 33 6.649 7.701 -7.780 1.00 54.32 H new ATOM 0 HD3 ARG A 33 7.017 9.316 -8.352 1.00 54.32 H new ATOM 0 HE ARG A 33 9.432 7.894 -7.610 1.00 31.33 H new ATOM 0 HH11 ARG A 33 7.051 8.340 -10.129 1.00 21.22 H new ATOM 0 HH12 ARG A 33 8.133 7.737 -11.389 1.00 21.22 H new ATOM 0 HH21 ARG A 33 10.749 7.109 -9.210 1.00 23.11 H new ATOM 0 HH22 ARG A 33 10.176 7.057 -10.881 1.00 23.11 H new ATOM 521 N VAL A 34 3.919 9.511 -3.712 1.00 62.45 N ATOM 522 CA VAL A 34 2.498 9.796 -3.438 1.00 3.11 C ATOM 523 C VAL A 34 2.305 10.908 -2.390 1.00 10.02 C ATOM 524 O VAL A 34 1.507 11.828 -2.582 1.00 42.43 O ATOM 525 CB VAL A 34 1.754 8.515 -2.974 1.00 72.24 C ATOM 526 CG1 VAL A 34 0.292 8.812 -2.640 1.00 41.42 C ATOM 527 CG2 VAL A 34 1.854 7.426 -4.041 1.00 45.32 C ATOM 0 H VAL A 34 4.139 8.516 -3.757 1.00 62.45 H new ATOM 0 HA VAL A 34 2.073 10.147 -4.378 1.00 3.11 H new ATOM 0 HB VAL A 34 2.235 8.157 -2.064 1.00 72.24 H new ATOM 0 HG11 VAL A 34 -0.201 7.895 -2.318 1.00 41.42 H new ATOM 0 HG12 VAL A 34 0.244 9.550 -1.839 1.00 41.42 H new ATOM 0 HG13 VAL A 34 -0.211 9.204 -3.524 1.00 41.42 H new ATOM 0 HG21 VAL A 34 1.328 6.534 -3.701 1.00 45.32 H new ATOM 0 HG22 VAL A 34 1.404 7.782 -4.968 1.00 45.32 H new ATOM 0 HG23 VAL A 34 2.902 7.184 -4.217 1.00 45.32 H new ATOM 537 N ILE A 35 3.041 10.824 -1.293 1.00 43.22 N ATOM 538 CA ILE A 35 2.976 11.839 -0.240 1.00 41.12 C ATOM 539 C ILE A 35 3.630 13.161 -0.693 1.00 12.21 C ATOM 540 O ILE A 35 2.982 14.208 -0.695 1.00 23.02 O ATOM 541 CB ILE A 35 3.636 11.325 1.075 1.00 0.23 C ATOM 542 CG1 ILE A 35 2.705 10.332 1.804 1.00 51.30 C ATOM 543 CG2 ILE A 35 4.008 12.481 2.002 1.00 64.32 C ATOM 544 CD1 ILE A 35 2.303 9.120 0.988 1.00 42.45 C ATOM 0 H ILE A 35 3.694 10.063 -1.103 1.00 43.22 H new ATOM 0 HA ILE A 35 1.923 12.035 -0.040 1.00 41.12 H new ATOM 0 HB ILE A 35 4.554 10.805 0.799 1.00 0.23 H new ATOM 0 HG12 ILE A 35 3.201 9.992 2.713 1.00 51.30 H new ATOM 0 HG13 ILE A 35 1.803 10.861 2.112 1.00 51.30 H new ATOM 0 HG21 ILE A 35 4.466 12.087 2.909 1.00 64.32 H new ATOM 0 HG22 ILE A 35 4.714 13.140 1.496 1.00 64.32 H new ATOM 0 HG23 ILE A 35 3.110 13.042 2.263 1.00 64.32 H new ATOM 0 HD11 ILE A 35 1.650 8.481 1.583 1.00 42.45 H new ATOM 0 HD12 ILE A 35 1.775 9.444 0.091 1.00 42.45 H new ATOM 0 HD13 ILE A 35 3.195 8.562 0.702 1.00 42.45 H new ATOM 556 N SER A 36 4.890 13.099 -1.120 1.00 63.30 N ATOM 557 CA SER A 36 5.652 14.317 -1.464 1.00 52.13 C ATOM 558 C SER A 36 5.066 15.068 -2.674 1.00 32.30 C ATOM 559 O SER A 36 5.348 16.251 -2.873 1.00 65.13 O ATOM 560 CB SER A 36 7.121 13.976 -1.746 1.00 5.12 C ATOM 561 OG SER A 36 7.261 13.214 -2.936 1.00 24.44 O ATOM 0 H SER A 36 5.409 12.229 -1.238 1.00 63.30 H new ATOM 0 HA SER A 36 5.580 14.974 -0.598 1.00 52.13 H new ATOM 0 HB2 SER A 36 7.699 14.896 -1.832 1.00 5.12 H new ATOM 0 HB3 SER A 36 7.534 13.418 -0.905 1.00 5.12 H new ATOM 0 HG SER A 36 7.248 12.259 -2.716 1.00 24.44 H new ATOM 567 N THR A 37 4.267 14.381 -3.489 1.00 63.03 N ATOM 568 CA THR A 37 3.663 14.991 -4.686 1.00 0.22 C ATOM 569 C THR A 37 2.222 15.458 -4.440 1.00 74.20 C ATOM 570 O THR A 37 1.856 16.582 -4.791 1.00 52.43 O ATOM 571 CB THR A 37 3.654 14.011 -5.883 1.00 3.51 C ATOM 572 OG1 THR A 37 2.855 12.860 -5.569 1.00 44.14 O ATOM 573 CG2 THR A 37 5.069 13.568 -6.242 1.00 3.03 C ATOM 0 H THR A 37 4.019 13.402 -3.348 1.00 63.03 H new ATOM 0 HA THR A 37 4.285 15.856 -4.918 1.00 0.22 H new ATOM 0 HB THR A 37 3.227 14.530 -6.741 1.00 3.51 H new ATOM 0 HG1 THR A 37 3.316 12.315 -4.898 1.00 44.14 H new ATOM 0 HG21 THR A 37 5.032 12.880 -7.086 1.00 3.03 H new ATOM 0 HG22 THR A 37 5.666 14.440 -6.510 1.00 3.03 H new ATOM 0 HG23 THR A 37 5.522 13.068 -5.386 1.00 3.03 H new ATOM 581 N HIS A 38 1.402 14.598 -3.838 1.00 61.33 N ATOM 582 CA HIS A 38 -0.025 14.901 -3.634 1.00 62.05 C ATOM 583 C HIS A 38 -0.275 15.777 -2.392 1.00 52.43 C ATOM 584 O HIS A 38 -1.345 16.371 -2.250 1.00 5.31 O ATOM 585 CB HIS A 38 -0.834 13.601 -3.537 1.00 71.13 C ATOM 586 CG HIS A 38 -0.799 12.775 -4.792 1.00 43.43 C ATOM 587 ND1 HIS A 38 0.096 11.856 -5.234 1.00 54.23 N flip ATOM 588 CD2 HIS A 38 -1.773 12.842 -5.764 1.00 60.23 C flip ATOM 589 CE1 HIS A 38 -0.357 11.397 -6.445 1.00 42.14 C flip ATOM 590 NE2 HIS A 38 -1.486 12.006 -6.739 1.00 32.33 N flip ATOM 0 H HIS A 38 1.694 13.688 -3.482 1.00 61.33 H new ATOM 0 HA HIS A 38 -0.356 15.475 -4.500 1.00 62.05 H new ATOM 0 HB2 HIS A 38 -0.450 13.005 -2.709 1.00 71.13 H new ATOM 0 HB3 HIS A 38 -1.870 13.844 -3.301 1.00 71.13 H new ATOM 0 HD2 HIS A 38 -2.641 13.484 -5.731 1.00 60.23 H new ATOM 0 HE1 HIS A 38 0.134 10.656 -7.058 1.00 42.14 H new ATOM 0 HE2 HIS A 38 -2.044 11.856 -7.580 1.00 32.33 H new ATOM 599 N THR A 39 0.703 15.857 -1.488 1.00 12.33 N ATOM 600 CA THR A 39 0.574 16.703 -0.286 1.00 55.15 C ATOM 601 C THR A 39 1.789 17.626 -0.113 1.00 53.41 C ATOM 602 O THR A 39 2.637 17.732 -0.999 1.00 52.54 O ATOM 603 CB THR A 39 0.403 15.868 1.010 1.00 45.44 C ATOM 604 OG1 THR A 39 1.610 15.165 1.321 1.00 50.31 O ATOM 605 CG2 THR A 39 -0.751 14.881 0.894 1.00 12.31 C ATOM 0 H THR A 39 1.588 15.354 -1.558 1.00 12.33 H new ATOM 0 HA THR A 39 -0.324 17.300 -0.442 1.00 55.15 H new ATOM 0 HB THR A 39 0.176 16.566 1.816 1.00 45.44 H new ATOM 0 HG1 THR A 39 2.156 15.079 0.512 1.00 50.31 H new ATOM 0 HG21 THR A 39 -0.840 14.314 1.821 1.00 12.31 H new ATOM 0 HG22 THR A 39 -1.678 15.425 0.711 1.00 12.31 H new ATOM 0 HG23 THR A 39 -0.563 14.197 0.067 1.00 12.31 H new ATOM 613 N ARG A 40 1.862 18.303 1.036 1.00 51.34 N ATOM 614 CA ARG A 40 2.954 19.247 1.317 1.00 23.31 C ATOM 615 C ARG A 40 4.126 18.563 2.052 1.00 63.34 C ATOM 616 O ARG A 40 5.198 19.148 2.213 1.00 60.01 O ATOM 617 CB ARG A 40 2.413 20.429 2.144 1.00 62.02 C ATOM 618 CG ARG A 40 3.428 21.541 2.406 1.00 13.43 C ATOM 619 CD ARG A 40 3.964 22.149 1.112 1.00 62.44 C ATOM 620 NE ARG A 40 2.905 22.745 0.296 1.00 44.42 N ATOM 621 CZ ARG A 40 2.969 22.899 -0.998 1.00 1.12 C ATOM 622 NH1 ARG A 40 3.997 22.484 -1.664 1.00 61.32 N ATOM 623 NH2 ARG A 40 1.993 23.464 -1.628 1.00 55.03 N ATOM 0 H ARG A 40 1.179 18.217 1.789 1.00 51.34 H new ATOM 0 HA ARG A 40 3.341 19.615 0.366 1.00 23.31 H new ATOM 0 HB2 ARG A 40 1.554 20.854 1.626 1.00 62.02 H new ATOM 0 HB3 ARG A 40 2.053 20.051 3.101 1.00 62.02 H new ATOM 0 HG2 ARG A 40 2.962 22.322 3.007 1.00 13.43 H new ATOM 0 HG3 ARG A 40 4.258 21.143 2.990 1.00 13.43 H new ATOM 0 HD2 ARG A 40 4.707 22.910 1.352 1.00 62.44 H new ATOM 0 HD3 ARG A 40 4.473 21.377 0.535 1.00 62.44 H new ATOM 0 HE ARG A 40 2.060 23.061 0.771 1.00 44.42 H new ATOM 0 HH11 ARG A 40 4.770 22.030 -1.178 1.00 61.32 H new ATOM 0 HH12 ARG A 40 4.034 22.611 -2.675 1.00 61.32 H new ATOM 0 HH21 ARG A 40 1.174 23.789 -1.114 1.00 55.03 H new ATOM 0 HH22 ARG A 40 2.041 23.585 -2.640 1.00 55.03 H new ATOM 637 N ALA A 41 3.922 17.320 2.475 1.00 72.33 N ATOM 638 CA ALA A 41 4.948 16.583 3.222 1.00 61.11 C ATOM 639 C ALA A 41 6.036 16.031 2.289 1.00 34.05 C ATOM 640 O ALA A 41 5.846 15.011 1.629 1.00 13.25 O ATOM 641 CB ALA A 41 4.312 15.452 4.025 1.00 30.40 C ATOM 0 H ALA A 41 3.060 16.799 2.316 1.00 72.33 H new ATOM 0 HA ALA A 41 5.424 17.281 3.911 1.00 61.11 H new ATOM 0 HB1 ALA A 41 5.086 14.915 4.573 1.00 30.40 H new ATOM 0 HB2 ALA A 41 3.590 15.867 4.729 1.00 30.40 H new ATOM 0 HB3 ALA A 41 3.805 14.765 3.347 1.00 30.40 H new ATOM 647 N LYS A 42 7.173 16.714 2.224 1.00 11.50 N ATOM 648 CA LYS A 42 8.286 16.260 1.391 1.00 53.44 C ATOM 649 C LYS A 42 9.136 15.216 2.127 1.00 44.31 C ATOM 650 O LYS A 42 9.505 15.400 3.289 1.00 54.51 O ATOM 651 CB LYS A 42 9.167 17.443 0.960 1.00 72.24 C ATOM 652 CG LYS A 42 10.342 17.043 0.064 1.00 11.12 C ATOM 653 CD LYS A 42 9.870 16.304 -1.189 1.00 61.15 C ATOM 654 CE LYS A 42 11.035 15.830 -2.053 1.00 44.14 C ATOM 655 NZ LYS A 42 11.762 16.965 -2.680 1.00 4.30 N ATOM 0 H LYS A 42 7.350 17.579 2.734 1.00 11.50 H new ATOM 0 HA LYS A 42 7.862 15.797 0.500 1.00 53.44 H new ATOM 0 HB2 LYS A 42 8.550 18.170 0.432 1.00 72.24 H new ATOM 0 HB3 LYS A 42 9.553 17.940 1.850 1.00 72.24 H new ATOM 0 HG2 LYS A 42 10.898 17.934 -0.227 1.00 11.12 H new ATOM 0 HG3 LYS A 42 11.028 16.408 0.625 1.00 11.12 H new ATOM 0 HD2 LYS A 42 9.265 15.446 -0.896 1.00 61.15 H new ATOM 0 HD3 LYS A 42 9.229 16.961 -1.776 1.00 61.15 H new ATOM 0 HE2 LYS A 42 11.727 15.250 -1.442 1.00 44.14 H new ATOM 0 HE3 LYS A 42 10.662 15.164 -2.831 1.00 44.14 H new ATOM 0 HZ1 LYS A 42 12.535 16.598 -3.272 1.00 4.30 H new ATOM 0 HZ2 LYS A 42 11.105 17.514 -3.270 1.00 4.30 H new ATOM 0 HZ3 LYS A 42 12.156 17.578 -1.938 1.00 4.30 H new ATOM 669 N VAL A 43 9.437 14.115 1.441 1.00 65.23 N ATOM 670 CA VAL A 43 10.285 13.062 1.999 1.00 70.30 C ATOM 671 C VAL A 43 11.763 13.488 2.024 1.00 54.33 C ATOM 672 O VAL A 43 12.367 13.745 0.980 1.00 3.33 O ATOM 673 CB VAL A 43 10.138 11.746 1.196 1.00 20.41 C ATOM 674 CG1 VAL A 43 11.059 10.660 1.753 1.00 51.03 C ATOM 675 CG2 VAL A 43 8.684 11.276 1.193 1.00 73.01 C ATOM 0 H VAL A 43 9.105 13.928 0.495 1.00 65.23 H new ATOM 0 HA VAL A 43 9.953 12.892 3.023 1.00 70.30 H new ATOM 0 HB VAL A 43 10.435 11.943 0.166 1.00 20.41 H new ATOM 0 HG11 VAL A 43 10.937 9.746 1.172 1.00 51.03 H new ATOM 0 HG12 VAL A 43 12.095 10.994 1.691 1.00 51.03 H new ATOM 0 HG13 VAL A 43 10.803 10.465 2.794 1.00 51.03 H new ATOM 0 HG21 VAL A 43 8.602 10.350 0.624 1.00 73.01 H new ATOM 0 HG22 VAL A 43 8.356 11.102 2.218 1.00 73.01 H new ATOM 0 HG23 VAL A 43 8.056 12.040 0.735 1.00 73.01 H new ATOM 685 N VAL A 44 12.330 13.568 3.222 1.00 4.03 N ATOM 686 CA VAL A 44 13.733 13.962 3.401 1.00 42.20 C ATOM 687 C VAL A 44 14.671 12.744 3.459 1.00 71.21 C ATOM 688 O VAL A 44 14.242 11.619 3.721 1.00 1.54 O ATOM 689 CB VAL A 44 13.915 14.805 4.685 1.00 62.12 C ATOM 690 CG1 VAL A 44 13.150 16.124 4.582 1.00 12.40 C ATOM 691 CG2 VAL A 44 13.477 14.015 5.916 1.00 72.40 C ATOM 0 H VAL A 44 11.840 13.365 4.093 1.00 4.03 H new ATOM 0 HA VAL A 44 13.999 14.563 2.531 1.00 42.20 H new ATOM 0 HB VAL A 44 14.974 15.038 4.792 1.00 62.12 H new ATOM 0 HG11 VAL A 44 13.293 16.700 5.496 1.00 12.40 H new ATOM 0 HG12 VAL A 44 13.522 16.695 3.732 1.00 12.40 H new ATOM 0 HG13 VAL A 44 12.088 15.919 4.444 1.00 12.40 H new ATOM 0 HG21 VAL A 44 13.613 14.626 6.808 1.00 72.40 H new ATOM 0 HG22 VAL A 44 12.426 13.744 5.819 1.00 72.40 H new ATOM 0 HG23 VAL A 44 14.079 13.110 6.001 1.00 72.40 H new ATOM 701 N ASN A 45 15.960 12.985 3.227 1.00 64.55 N ATOM 702 CA ASN A 45 16.966 11.915 3.202 1.00 61.15 C ATOM 703 C ASN A 45 17.542 11.631 4.609 1.00 5.15 C ATOM 704 O ASN A 45 18.319 10.690 4.796 1.00 1.12 O ATOM 705 CB ASN A 45 18.085 12.298 2.220 1.00 1.52 C ATOM 706 CG ASN A 45 19.059 11.163 1.953 1.00 21.35 C ATOM 707 OD1 ASN A 45 18.827 10.315 1.099 1.00 4.24 O ATOM 708 ND2 ASN A 45 20.164 11.144 2.667 1.00 61.22 N ATOM 0 H ASN A 45 16.338 13.916 3.052 1.00 64.55 H new ATOM 0 HA ASN A 45 16.485 10.996 2.869 1.00 61.15 H new ATOM 0 HB2 ASN A 45 17.640 12.616 1.277 1.00 1.52 H new ATOM 0 HB3 ASN A 45 18.632 13.152 2.618 1.00 1.52 H new ATOM 0 HD21 ASN A 45 20.856 10.410 2.517 1.00 61.22 H new ATOM 0 HD22 ASN A 45 20.329 11.864 3.371 1.00 61.22 H new ATOM 715 N LYS A 46 17.154 12.441 5.595 1.00 44.34 N ATOM 716 CA LYS A 46 17.605 12.252 6.984 1.00 5.40 C ATOM 717 C LYS A 46 16.587 12.835 7.984 1.00 51.45 C ATOM 718 O LYS A 46 15.996 13.888 7.743 1.00 3.31 O ATOM 719 CB LYS A 46 18.995 12.879 7.205 1.00 44.01 C ATOM 720 CG LYS A 46 19.028 14.408 7.169 1.00 14.34 C ATOM 721 CD LYS A 46 18.744 14.975 5.781 1.00 62.43 C ATOM 722 CE LYS A 46 18.789 16.500 5.778 1.00 11.33 C ATOM 723 NZ LYS A 46 20.091 17.025 6.277 1.00 24.55 N ATOM 0 H LYS A 46 16.528 13.236 5.463 1.00 44.34 H new ATOM 0 HA LYS A 46 17.681 11.179 7.161 1.00 5.40 H new ATOM 0 HB2 LYS A 46 19.378 12.545 8.169 1.00 44.01 H new ATOM 0 HB3 LYS A 46 19.674 12.498 6.442 1.00 44.01 H new ATOM 0 HG2 LYS A 46 18.293 14.799 7.873 1.00 14.34 H new ATOM 0 HG3 LYS A 46 20.006 14.753 7.504 1.00 14.34 H new ATOM 0 HD2 LYS A 46 19.476 14.587 5.072 1.00 62.43 H new ATOM 0 HD3 LYS A 46 17.764 14.639 5.443 1.00 62.43 H new ATOM 0 HE2 LYS A 46 18.616 16.865 4.766 1.00 11.33 H new ATOM 0 HE3 LYS A 46 17.981 16.887 6.399 1.00 11.33 H new ATOM 0 HZ1 LYS A 46 20.272 17.959 5.857 1.00 24.55 H new ATOM 0 HZ2 LYS A 46 20.056 17.112 7.313 1.00 24.55 H new ATOM 0 HZ3 LYS A 46 20.854 16.371 6.010 1.00 24.55 H new ATOM 737 N ALA A 47 16.399 12.152 9.113 1.00 41.21 N ATOM 738 CA ALA A 47 15.349 12.515 10.079 1.00 35.12 C ATOM 739 C ALA A 47 15.755 13.659 11.027 1.00 71.41 C ATOM 740 O ALA A 47 14.901 14.247 11.696 1.00 60.42 O ATOM 741 CB ALA A 47 14.943 11.288 10.887 1.00 51.42 C ATOM 0 H ALA A 47 16.958 11.343 9.386 1.00 41.21 H new ATOM 0 HA ALA A 47 14.504 12.882 9.497 1.00 35.12 H new ATOM 0 HB1 ALA A 47 14.166 11.563 11.600 1.00 51.42 H new ATOM 0 HB2 ALA A 47 14.563 10.519 10.215 1.00 51.42 H new ATOM 0 HB3 ALA A 47 15.810 10.904 11.425 1.00 51.42 H new ATOM 747 N GLU A 48 17.045 13.987 11.078 1.00 61.13 N ATOM 748 CA GLU A 48 17.540 15.010 12.013 1.00 74.31 C ATOM 749 C GLU A 48 16.925 16.402 11.752 1.00 34.33 C ATOM 750 O GLU A 48 16.788 17.211 12.672 1.00 1.13 O ATOM 751 CB GLU A 48 19.083 15.063 11.995 1.00 53.00 C ATOM 752 CG GLU A 48 19.722 15.286 10.621 1.00 4.34 C ATOM 753 CD GLU A 48 19.672 16.732 10.143 1.00 43.10 C ATOM 754 OE1 GLU A 48 19.952 17.642 10.953 1.00 31.32 O ATOM 755 OE2 GLU A 48 19.354 16.965 8.961 1.00 34.25 O ATOM 0 H GLU A 48 17.765 13.567 10.491 1.00 61.13 H new ATOM 0 HA GLU A 48 17.216 14.716 13.011 1.00 74.31 H new ATOM 0 HB2 GLU A 48 19.409 15.862 12.661 1.00 53.00 H new ATOM 0 HB3 GLU A 48 19.466 14.129 12.406 1.00 53.00 H new ATOM 0 HG2 GLU A 48 20.762 14.962 10.658 1.00 4.34 H new ATOM 0 HG3 GLU A 48 19.217 14.654 9.890 1.00 4.34 H new ATOM 762 N LYS A 49 16.556 16.677 10.502 1.00 53.13 N ATOM 763 CA LYS A 49 15.908 17.951 10.151 1.00 31.34 C ATOM 764 C LYS A 49 14.470 17.712 9.649 1.00 72.50 C ATOM 765 O LYS A 49 13.882 18.545 8.956 1.00 11.24 O ATOM 766 CB LYS A 49 16.748 18.688 9.094 1.00 14.15 C ATOM 767 CG LYS A 49 16.324 20.135 8.844 1.00 15.21 C ATOM 768 CD LYS A 49 17.293 20.858 7.910 1.00 13.10 C ATOM 769 CE LYS A 49 17.409 20.166 6.555 1.00 13.51 C ATOM 770 NZ LYS A 49 18.407 20.829 5.675 1.00 11.24 N ATOM 0 H LYS A 49 16.691 16.042 9.715 1.00 53.13 H new ATOM 0 HA LYS A 49 15.846 18.575 11.043 1.00 31.34 H new ATOM 0 HB2 LYS A 49 17.792 18.677 9.406 1.00 14.15 H new ATOM 0 HB3 LYS A 49 16.690 18.138 8.155 1.00 14.15 H new ATOM 0 HG2 LYS A 49 15.323 20.151 8.412 1.00 15.21 H new ATOM 0 HG3 LYS A 49 16.270 20.667 9.794 1.00 15.21 H new ATOM 0 HD2 LYS A 49 16.957 21.885 7.765 1.00 13.10 H new ATOM 0 HD3 LYS A 49 18.277 20.907 8.377 1.00 13.10 H new ATOM 0 HE2 LYS A 49 17.692 19.124 6.703 1.00 13.51 H new ATOM 0 HE3 LYS A 49 16.436 20.165 6.064 1.00 13.51 H new ATOM 0 HZ1 LYS A 49 18.455 20.328 4.765 1.00 11.24 H new ATOM 0 HZ2 LYS A 49 18.124 21.816 5.512 1.00 11.24 H new ATOM 0 HZ3 LYS A 49 19.341 20.807 6.132 1.00 11.24 H new ATOM 784 N SER A 50 13.904 16.566 10.023 1.00 4.52 N ATOM 785 CA SER A 50 12.522 16.215 9.657 1.00 61.50 C ATOM 786 C SER A 50 11.544 16.580 10.781 1.00 51.32 C ATOM 787 O SER A 50 11.953 17.055 11.842 1.00 32.15 O ATOM 788 CB SER A 50 12.411 14.711 9.355 1.00 61.10 C ATOM 789 OG SER A 50 11.077 14.345 9.024 1.00 43.42 O ATOM 0 H SER A 50 14.379 15.858 10.582 1.00 4.52 H new ATOM 0 HA SER A 50 12.262 16.785 8.765 1.00 61.50 H new ATOM 0 HB2 SER A 50 13.076 14.454 8.530 1.00 61.10 H new ATOM 0 HB3 SER A 50 12.742 14.139 10.222 1.00 61.10 H new ATOM 0 HG SER A 50 10.850 13.501 9.467 1.00 43.42 H new ATOM 795 N GLU A 51 10.252 16.363 10.551 1.00 63.12 N ATOM 796 CA GLU A 51 9.241 16.592 11.590 1.00 53.10 C ATOM 797 C GLU A 51 8.624 15.259 12.046 1.00 61.55 C ATOM 798 O GLU A 51 8.325 15.065 13.225 1.00 3.43 O ATOM 799 CB GLU A 51 8.142 17.541 11.079 1.00 41.34 C ATOM 800 CG GLU A 51 7.470 18.354 12.183 1.00 31.52 C ATOM 801 CD GLU A 51 8.405 19.398 12.789 1.00 3.22 C ATOM 802 OE1 GLU A 51 8.467 20.526 12.252 1.00 13.45 O ATOM 803 OE2 GLU A 51 9.090 19.093 13.789 1.00 25.43 O ATOM 0 H GLU A 51 9.878 16.031 9.662 1.00 63.12 H new ATOM 0 HA GLU A 51 9.731 17.059 12.444 1.00 53.10 H new ATOM 0 HB2 GLU A 51 8.575 18.225 10.349 1.00 41.34 H new ATOM 0 HB3 GLU A 51 7.384 16.957 10.557 1.00 41.34 H new ATOM 0 HG2 GLU A 51 6.588 18.851 11.779 1.00 31.52 H new ATOM 0 HG3 GLU A 51 7.125 17.681 12.967 1.00 31.52 H new ATOM 810 N ALA A 52 8.465 14.329 11.103 1.00 72.44 N ATOM 811 CA ALA A 52 7.904 13.003 11.400 1.00 34.31 C ATOM 812 C ALA A 52 8.677 11.879 10.684 1.00 71.13 C ATOM 813 O ALA A 52 9.447 12.132 9.753 1.00 73.32 O ATOM 814 CB ALA A 52 6.429 12.959 11.014 1.00 55.13 C ATOM 0 H ALA A 52 8.716 14.467 10.124 1.00 72.44 H new ATOM 0 HA ALA A 52 8.002 12.836 12.473 1.00 34.31 H new ATOM 0 HB1 ALA A 52 6.024 11.972 11.238 1.00 55.13 H new ATOM 0 HB2 ALA A 52 5.882 13.713 11.580 1.00 55.13 H new ATOM 0 HB3 ALA A 52 6.326 13.160 9.948 1.00 55.13 H new ATOM 820 N ILE A 53 8.463 10.639 11.126 1.00 41.12 N ATOM 821 CA ILE A 53 9.107 9.457 10.526 1.00 23.43 C ATOM 822 C ILE A 53 8.063 8.384 10.158 1.00 53.12 C ATOM 823 O ILE A 53 7.245 7.989 10.989 1.00 63.21 O ATOM 824 CB ILE A 53 10.162 8.831 11.482 1.00 33.13 C ATOM 825 CG1 ILE A 53 11.317 9.812 11.743 1.00 12.45 C ATOM 826 CG2 ILE A 53 10.696 7.513 10.916 1.00 24.22 C ATOM 827 CD1 ILE A 53 12.367 9.281 12.701 1.00 13.01 C ATOM 0 H ILE A 53 7.843 10.420 11.906 1.00 41.12 H new ATOM 0 HA ILE A 53 9.610 9.799 9.622 1.00 23.43 H new ATOM 0 HB ILE A 53 9.670 8.622 12.432 1.00 33.13 H new ATOM 0 HG12 ILE A 53 11.795 10.057 10.794 1.00 12.45 H new ATOM 0 HG13 ILE A 53 10.909 10.740 12.143 1.00 12.45 H new ATOM 0 HG21 ILE A 53 11.432 7.094 11.602 1.00 24.22 H new ATOM 0 HG22 ILE A 53 9.873 6.809 10.794 1.00 24.22 H new ATOM 0 HG23 ILE A 53 11.164 7.696 9.949 1.00 24.22 H new ATOM 0 HD11 ILE A 53 13.149 10.029 12.835 1.00 13.01 H new ATOM 0 HD12 ILE A 53 11.904 9.063 13.664 1.00 13.01 H new ATOM 0 HD13 ILE A 53 12.803 8.369 12.293 1.00 13.01 H new ATOM 839 N ILE A 54 8.100 7.913 8.915 1.00 24.41 N ATOM 840 CA ILE A 54 7.185 6.865 8.452 1.00 34.35 C ATOM 841 C ILE A 54 7.922 5.525 8.304 1.00 71.12 C ATOM 842 O ILE A 54 8.696 5.323 7.364 1.00 11.43 O ATOM 843 CB ILE A 54 6.524 7.245 7.100 1.00 42.51 C ATOM 844 CG1 ILE A 54 5.811 8.607 7.215 1.00 75.34 C ATOM 845 CG2 ILE A 54 5.542 6.157 6.662 1.00 45.43 C ATOM 846 CD1 ILE A 54 5.191 9.092 5.918 1.00 23.32 C ATOM 0 H ILE A 54 8.755 8.240 8.205 1.00 24.41 H new ATOM 0 HA ILE A 54 6.403 6.764 9.204 1.00 34.35 H new ATOM 0 HB ILE A 54 7.303 7.328 6.343 1.00 42.51 H new ATOM 0 HG12 ILE A 54 5.031 8.534 7.973 1.00 75.34 H new ATOM 0 HG13 ILE A 54 6.527 9.351 7.564 1.00 75.34 H new ATOM 0 HG21 ILE A 54 5.087 6.438 5.712 1.00 45.43 H new ATOM 0 HG22 ILE A 54 6.074 5.213 6.544 1.00 45.43 H new ATOM 0 HG23 ILE A 54 4.764 6.043 7.417 1.00 45.43 H new ATOM 0 HD11 ILE A 54 4.709 10.056 6.083 1.00 23.32 H new ATOM 0 HD12 ILE A 54 5.968 9.200 5.161 1.00 23.32 H new ATOM 0 HD13 ILE A 54 4.450 8.370 5.577 1.00 23.32 H new ATOM 858 N GLN A 55 7.683 4.614 9.240 1.00 52.31 N ATOM 859 CA GLN A 55 8.365 3.315 9.250 1.00 62.24 C ATOM 860 C GLN A 55 7.428 2.179 8.810 1.00 62.11 C ATOM 861 O GLN A 55 6.655 1.653 9.611 1.00 0.44 O ATOM 862 CB GLN A 55 8.920 3.023 10.653 1.00 3.41 C ATOM 863 CG GLN A 55 9.659 1.690 10.761 1.00 43.11 C ATOM 864 CD GLN A 55 10.173 1.409 12.164 1.00 11.10 C ATOM 865 OE1 GLN A 55 10.506 2.318 12.914 1.00 13.01 O ATOM 866 NE2 GLN A 55 10.240 0.145 12.530 1.00 70.43 N ATOM 0 H GLN A 55 7.022 4.746 10.005 1.00 52.31 H new ATOM 0 HA GLN A 55 9.187 3.365 8.536 1.00 62.24 H new ATOM 0 HB2 GLN A 55 9.598 3.827 10.940 1.00 3.41 H new ATOM 0 HB3 GLN A 55 8.097 3.030 11.367 1.00 3.41 H new ATOM 0 HG2 GLN A 55 8.991 0.884 10.456 1.00 43.11 H new ATOM 0 HG3 GLN A 55 10.498 1.688 10.065 1.00 43.11 H new ATOM 0 HE21 GLN A 55 9.955 -0.589 11.882 1.00 70.43 H new ATOM 0 HE22 GLN A 55 10.577 -0.099 13.461 1.00 70.43 H new ATOM 875 N ILE A 56 7.490 1.809 7.535 1.00 34.12 N ATOM 876 CA ILE A 56 6.679 0.705 7.015 1.00 55.32 C ATOM 877 C ILE A 56 7.335 -0.644 7.366 1.00 22.33 C ATOM 878 O ILE A 56 8.485 -0.900 7.018 1.00 53.22 O ATOM 879 CB ILE A 56 6.444 0.857 5.474 1.00 24.15 C ATOM 880 CG1 ILE A 56 5.370 -0.127 4.948 1.00 11.52 C ATOM 881 CG2 ILE A 56 7.752 0.711 4.692 1.00 50.44 C ATOM 882 CD1 ILE A 56 5.833 -1.561 4.774 1.00 2.41 C ATOM 0 H ILE A 56 8.091 2.254 6.841 1.00 34.12 H new ATOM 0 HA ILE A 56 5.698 0.735 7.490 1.00 55.32 H new ATOM 0 HB ILE A 56 6.065 1.866 5.311 1.00 24.15 H new ATOM 0 HG12 ILE A 56 4.524 -0.117 5.635 1.00 11.52 H new ATOM 0 HG13 ILE A 56 5.005 0.239 3.988 1.00 11.52 H new ATOM 0 HG21 ILE A 56 7.553 0.822 3.626 1.00 50.44 H new ATOM 0 HG22 ILE A 56 8.455 1.480 5.012 1.00 50.44 H new ATOM 0 HG23 ILE A 56 8.181 -0.273 4.881 1.00 50.44 H new ATOM 0 HD11 ILE A 56 5.007 -2.167 4.402 1.00 2.41 H new ATOM 0 HD12 ILE A 56 6.657 -1.593 4.061 1.00 2.41 H new ATOM 0 HD13 ILE A 56 6.168 -1.954 5.734 1.00 2.41 H new ATOM 894 N VAL A 57 6.601 -1.495 8.081 1.00 31.03 N ATOM 895 CA VAL A 57 7.142 -2.770 8.571 1.00 24.31 C ATOM 896 C VAL A 57 7.300 -3.801 7.440 1.00 32.11 C ATOM 897 O VAL A 57 8.413 -4.234 7.129 1.00 1.24 O ATOM 898 CB VAL A 57 6.242 -3.364 9.686 1.00 43.43 C ATOM 899 CG1 VAL A 57 6.831 -4.664 10.243 1.00 1.42 C ATOM 900 CG2 VAL A 57 6.030 -2.341 10.802 1.00 63.25 C ATOM 0 H VAL A 57 5.628 -1.328 8.336 1.00 31.03 H new ATOM 0 HA VAL A 57 8.129 -2.554 8.979 1.00 24.31 H new ATOM 0 HB VAL A 57 5.273 -3.603 9.247 1.00 43.43 H new ATOM 0 HG11 VAL A 57 6.177 -5.055 11.022 1.00 1.42 H new ATOM 0 HG12 VAL A 57 6.918 -5.397 9.441 1.00 1.42 H new ATOM 0 HG13 VAL A 57 7.817 -4.466 10.663 1.00 1.42 H new ATOM 0 HG21 VAL A 57 5.396 -2.773 11.576 1.00 63.25 H new ATOM 0 HG22 VAL A 57 6.993 -2.067 11.232 1.00 63.25 H new ATOM 0 HG23 VAL A 57 5.549 -1.452 10.394 1.00 63.25 H new ATOM 910 N HIS A 58 6.182 -4.192 6.827 1.00 70.11 N ATOM 911 CA HIS A 58 6.202 -5.180 5.741 1.00 71.41 C ATOM 912 C HIS A 58 4.874 -5.194 4.964 1.00 35.43 C ATOM 913 O HIS A 58 3.797 -5.030 5.540 1.00 4.00 O ATOM 914 CB HIS A 58 6.507 -6.582 6.297 1.00 3.40 C ATOM 915 CG HIS A 58 6.660 -7.630 5.235 1.00 22.41 C ATOM 916 ND1 HIS A 58 7.756 -7.702 4.402 1.00 73.11 N ATOM 917 CD2 HIS A 58 5.843 -8.645 4.857 1.00 61.44 C ATOM 918 CE1 HIS A 58 7.605 -8.706 3.561 1.00 71.45 C ATOM 919 NE2 HIS A 58 6.455 -9.294 3.817 1.00 2.43 N ATOM 0 H HIS A 58 5.253 -3.843 7.061 1.00 70.11 H new ATOM 0 HA HIS A 58 6.992 -4.892 5.047 1.00 71.41 H new ATOM 0 HB2 HIS A 58 7.423 -6.538 6.887 1.00 3.40 H new ATOM 0 HB3 HIS A 58 5.705 -6.877 6.974 1.00 3.40 H new ATOM 0 HD2 HIS A 58 4.888 -8.895 5.295 1.00 61.44 H new ATOM 0 HE1 HIS A 58 8.306 -8.997 2.792 1.00 71.45 H new ATOM 0 HE2 HIS A 58 6.080 -10.103 3.321 1.00 2.43 H new ATOM 928 N ALA A 59 4.968 -5.382 3.648 1.00 44.34 N ATOM 929 CA ALA A 59 3.789 -5.487 2.787 1.00 24.44 C ATOM 930 C ALA A 59 3.403 -6.958 2.553 1.00 52.23 C ATOM 931 O ALA A 59 4.063 -7.669 1.791 1.00 73.12 O ATOM 932 CB ALA A 59 4.056 -4.789 1.459 1.00 25.12 C ATOM 0 H ALA A 59 5.855 -5.465 3.151 1.00 44.34 H new ATOM 0 HA ALA A 59 2.952 -4.998 3.286 1.00 24.44 H new ATOM 0 HB1 ALA A 59 3.175 -4.870 0.822 1.00 25.12 H new ATOM 0 HB2 ALA A 59 4.278 -3.737 1.639 1.00 25.12 H new ATOM 0 HB3 ALA A 59 4.906 -5.260 0.965 1.00 25.12 H new ATOM 938 N ILE A 60 2.352 -7.415 3.232 1.00 70.44 N ATOM 939 CA ILE A 60 1.872 -8.799 3.101 1.00 11.43 C ATOM 940 C ILE A 60 0.886 -8.929 1.929 1.00 62.44 C ATOM 941 O ILE A 60 -0.103 -8.209 1.868 1.00 3.40 O ATOM 942 CB ILE A 60 1.163 -9.297 4.400 1.00 52.41 C ATOM 943 CG1 ILE A 60 2.137 -9.332 5.596 1.00 14.22 C ATOM 944 CG2 ILE A 60 0.536 -10.675 4.183 1.00 74.41 C ATOM 945 CD1 ILE A 60 2.489 -7.967 6.157 1.00 34.01 C ATOM 0 H ILE A 60 1.811 -6.847 3.883 1.00 70.44 H new ATOM 0 HA ILE A 60 2.753 -9.415 2.919 1.00 11.43 H new ATOM 0 HB ILE A 60 0.370 -8.587 4.633 1.00 52.41 H new ATOM 0 HG12 ILE A 60 1.697 -9.935 6.390 1.00 14.22 H new ATOM 0 HG13 ILE A 60 3.055 -9.832 5.287 1.00 14.22 H new ATOM 0 HG21 ILE A 60 0.048 -11.001 5.101 1.00 74.41 H new ATOM 0 HG22 ILE A 60 -0.200 -10.618 3.381 1.00 74.41 H new ATOM 0 HG23 ILE A 60 1.313 -11.390 3.911 1.00 74.41 H new ATOM 0 HD11 ILE A 60 3.178 -8.084 6.994 1.00 34.01 H new ATOM 0 HD12 ILE A 60 2.961 -7.365 5.380 1.00 34.01 H new ATOM 0 HD13 ILE A 60 1.582 -7.470 6.500 1.00 34.01 H new ATOM 957 N ARG A 61 1.155 -9.849 1.006 1.00 10.42 N ATOM 958 CA ARG A 61 0.249 -10.096 -0.124 1.00 14.21 C ATOM 959 C ARG A 61 0.029 -11.599 -0.355 1.00 43.13 C ATOM 960 O ARG A 61 0.938 -12.317 -0.773 1.00 14.20 O ATOM 961 CB ARG A 61 0.783 -9.430 -1.405 1.00 43.13 C ATOM 962 CG ARG A 61 2.240 -9.753 -1.718 1.00 40.33 C ATOM 963 CD ARG A 61 2.693 -9.119 -3.028 1.00 30.23 C ATOM 964 NE ARG A 61 4.128 -9.296 -3.255 1.00 24.13 N ATOM 965 CZ ARG A 61 4.662 -9.655 -4.395 1.00 54.44 C ATOM 966 NH1 ARG A 61 3.921 -9.984 -5.403 1.00 42.34 N ATOM 967 NH2 ARG A 61 5.945 -9.722 -4.516 1.00 13.23 N ATOM 0 H ARG A 61 1.989 -10.436 1.014 1.00 10.42 H new ATOM 0 HA ARG A 61 -0.715 -9.653 0.127 1.00 14.21 H new ATOM 0 HB2 ARG A 61 0.165 -9.741 -2.247 1.00 43.13 H new ATOM 0 HB3 ARG A 61 0.674 -8.349 -1.311 1.00 43.13 H new ATOM 0 HG2 ARG A 61 2.873 -9.399 -0.905 1.00 40.33 H new ATOM 0 HG3 ARG A 61 2.368 -10.834 -1.774 1.00 40.33 H new ATOM 0 HD2 ARG A 61 2.138 -9.561 -3.856 1.00 30.23 H new ATOM 0 HD3 ARG A 61 2.456 -8.055 -3.017 1.00 30.23 H new ATOM 0 HE ARG A 61 4.756 -9.128 -2.469 1.00 24.13 H new ATOM 0 HH11 ARG A 61 2.905 -9.966 -5.316 1.00 42.34 H new ATOM 0 HH12 ARG A 61 4.353 -10.261 -6.284 1.00 42.34 H new ATOM 0 HH21 ARG A 61 6.545 -9.495 -3.723 1.00 13.23 H new ATOM 0 HH22 ARG A 61 6.359 -10.002 -5.405 1.00 13.23 H new ATOM 981 N GLU A 62 -1.188 -12.065 -0.086 1.00 11.00 N ATOM 982 CA GLU A 62 -1.542 -13.477 -0.261 1.00 1.21 C ATOM 983 C GLU A 62 -2.557 -13.639 -1.403 1.00 2.34 C ATOM 984 O GLU A 62 -3.662 -13.097 -1.344 1.00 3.15 O ATOM 985 CB GLU A 62 -2.132 -14.041 1.042 1.00 43.15 C ATOM 986 CG GLU A 62 -1.260 -13.820 2.280 1.00 24.43 C ATOM 987 CD GLU A 62 0.094 -14.505 2.187 1.00 35.15 C ATOM 988 OE1 GLU A 62 0.138 -15.753 2.253 1.00 71.33 O ATOM 989 OE2 GLU A 62 1.118 -13.805 2.056 1.00 53.12 O ATOM 0 H GLU A 62 -1.953 -11.483 0.257 1.00 11.00 H new ATOM 0 HA GLU A 62 -0.637 -14.030 -0.513 1.00 1.21 H new ATOM 0 HB2 GLU A 62 -3.106 -13.583 1.213 1.00 43.15 H new ATOM 0 HB3 GLU A 62 -2.300 -15.111 0.917 1.00 43.15 H new ATOM 0 HG2 GLU A 62 -1.110 -12.750 2.425 1.00 24.43 H new ATOM 0 HG3 GLU A 62 -1.788 -14.190 3.159 1.00 24.43 H new ATOM 996 N LYS A 63 -2.183 -14.371 -2.449 1.00 43.24 N ATOM 997 CA LYS A 63 -3.089 -14.599 -3.581 1.00 52.24 C ATOM 998 C LYS A 63 -3.833 -15.941 -3.439 1.00 3.14 C ATOM 999 O LYS A 63 -3.330 -17.005 -3.805 1.00 1.05 O ATOM 1000 CB LYS A 63 -2.334 -14.497 -4.919 1.00 43.30 C ATOM 1001 CG LYS A 63 -1.106 -15.392 -5.037 1.00 64.02 C ATOM 1002 CD LYS A 63 -0.349 -15.144 -6.342 1.00 12.20 C ATOM 1003 CE LYS A 63 -1.209 -15.431 -7.569 1.00 2.20 C ATOM 1004 NZ LYS A 63 -0.452 -15.243 -8.836 1.00 0.43 N ATOM 0 H LYS A 63 -1.269 -14.814 -2.540 1.00 43.24 H new ATOM 0 HA LYS A 63 -3.845 -13.814 -3.574 1.00 52.24 H new ATOM 0 HB2 LYS A 63 -3.023 -14.743 -5.727 1.00 43.30 H new ATOM 0 HB3 LYS A 63 -2.026 -13.462 -5.067 1.00 43.30 H new ATOM 0 HG2 LYS A 63 -0.442 -15.212 -4.191 1.00 64.02 H new ATOM 0 HG3 LYS A 63 -1.411 -16.437 -4.986 1.00 64.02 H new ATOM 0 HD2 LYS A 63 -0.009 -14.109 -6.372 1.00 12.20 H new ATOM 0 HD3 LYS A 63 0.541 -15.772 -6.369 1.00 12.20 H new ATOM 0 HE2 LYS A 63 -1.583 -16.454 -7.518 1.00 2.20 H new ATOM 0 HE3 LYS A 63 -2.078 -14.773 -7.565 1.00 2.20 H new ATOM 0 HZ1 LYS A 63 -0.965 -15.698 -9.618 1.00 0.43 H new ATOM 0 HZ2 LYS A 63 -0.351 -14.227 -9.033 1.00 0.43 H new ATOM 0 HZ3 LYS A 63 0.490 -15.673 -8.744 1.00 0.43 H new ATOM 1018 N ARG A 64 -5.039 -15.864 -2.887 1.00 65.10 N ATOM 1019 CA ARG A 64 -5.871 -17.039 -2.596 1.00 1.54 C ATOM 1020 C ARG A 64 -6.992 -17.214 -3.636 1.00 42.01 C ATOM 1021 O ARG A 64 -7.141 -16.406 -4.548 1.00 62.24 O ATOM 1022 CB ARG A 64 -6.484 -16.872 -1.198 1.00 73.31 C ATOM 1023 CG ARG A 64 -5.481 -17.019 -0.055 1.00 42.41 C ATOM 1024 CD ARG A 64 -5.930 -16.278 1.206 1.00 44.33 C ATOM 1025 NE ARG A 64 -7.381 -16.329 1.402 1.00 1.41 N ATOM 1026 CZ ARG A 64 -7.982 -16.916 2.402 1.00 44.44 C ATOM 1027 NH1 ARG A 64 -7.308 -17.546 3.308 1.00 0.14 N ATOM 1028 NH2 ARG A 64 -9.270 -16.862 2.491 1.00 43.34 N ATOM 0 H ARG A 64 -5.475 -14.980 -2.625 1.00 65.10 H new ATOM 0 HA ARG A 64 -5.243 -17.929 -2.637 1.00 1.54 H new ATOM 0 HB2 ARG A 64 -6.951 -15.889 -1.133 1.00 73.31 H new ATOM 0 HB3 ARG A 64 -7.276 -17.610 -1.070 1.00 73.31 H new ATOM 0 HG2 ARG A 64 -5.347 -18.076 0.175 1.00 42.41 H new ATOM 0 HG3 ARG A 64 -4.511 -16.637 -0.373 1.00 42.41 H new ATOM 0 HD2 ARG A 64 -5.434 -16.712 2.074 1.00 44.33 H new ATOM 0 HD3 ARG A 64 -5.612 -15.237 1.144 1.00 44.33 H new ATOM 0 HE ARG A 64 -7.967 -15.871 0.704 1.00 1.41 H new ATOM 0 HH11 ARG A 64 -6.291 -17.590 3.248 1.00 0.14 H new ATOM 0 HH12 ARG A 64 -7.794 -17.999 4.082 1.00 0.14 H new ATOM 0 HH21 ARG A 64 -9.810 -16.364 1.783 1.00 43.34 H new ATOM 0 HH22 ARG A 64 -9.747 -17.318 3.269 1.00 43.34 H new ATOM 1042 N ILE A 65 -7.780 -18.279 -3.495 1.00 34.54 N ATOM 1043 CA ILE A 65 -8.946 -18.505 -4.357 1.00 23.31 C ATOM 1044 C ILE A 65 -10.242 -18.193 -3.577 1.00 12.12 C ATOM 1045 O ILE A 65 -10.395 -18.588 -2.419 1.00 12.13 O ATOM 1046 CB ILE A 65 -8.956 -19.968 -4.914 1.00 3.42 C ATOM 1047 CG1 ILE A 65 -9.649 -20.048 -6.294 1.00 71.03 C ATOM 1048 CG2 ILE A 65 -9.607 -20.946 -3.932 1.00 3.24 C ATOM 1049 CD1 ILE A 65 -11.142 -19.787 -6.276 1.00 20.15 C ATOM 0 H ILE A 65 -7.634 -19.002 -2.791 1.00 34.54 H new ATOM 0 HA ILE A 65 -8.887 -17.833 -5.213 1.00 23.31 H new ATOM 0 HB ILE A 65 -7.914 -20.261 -5.040 1.00 3.42 H new ATOM 0 HG12 ILE A 65 -9.177 -19.328 -6.963 1.00 71.03 H new ATOM 0 HG13 ILE A 65 -9.473 -21.038 -6.715 1.00 71.03 H new ATOM 0 HG21 ILE A 65 -9.594 -21.950 -4.356 1.00 3.24 H new ATOM 0 HG22 ILE A 65 -9.053 -20.941 -2.993 1.00 3.24 H new ATOM 0 HG23 ILE A 65 -10.638 -20.644 -3.747 1.00 3.24 H new ATOM 0 HD11 ILE A 65 -11.537 -19.865 -7.289 1.00 20.15 H new ATOM 0 HD12 ILE A 65 -11.632 -20.522 -5.637 1.00 20.15 H new ATOM 0 HD13 ILE A 65 -11.332 -18.786 -5.889 1.00 20.15 H new ATOM 1061 N LEU A 66 -11.160 -17.458 -4.199 1.00 24.53 N ATOM 1062 CA LEU A 66 -12.388 -17.012 -3.522 1.00 42.11 C ATOM 1063 C LEU A 66 -13.580 -17.958 -3.771 1.00 33.32 C ATOM 1064 O LEU A 66 -14.171 -18.495 -2.830 1.00 30.23 O ATOM 1065 CB LEU A 66 -12.753 -15.594 -3.990 1.00 34.15 C ATOM 1066 CG LEU A 66 -14.030 -14.993 -3.368 1.00 73.34 C ATOM 1067 CD1 LEU A 66 -13.866 -14.798 -1.864 1.00 65.13 C ATOM 1068 CD2 LEU A 66 -14.396 -13.676 -4.049 1.00 53.41 C ATOM 0 H LEU A 66 -11.083 -17.156 -5.170 1.00 24.53 H new ATOM 0 HA LEU A 66 -12.185 -17.019 -2.451 1.00 42.11 H new ATOM 0 HB2 LEU A 66 -11.916 -14.931 -3.768 1.00 34.15 H new ATOM 0 HB3 LEU A 66 -12.870 -15.608 -5.074 1.00 34.15 H new ATOM 0 HG LEU A 66 -14.846 -15.697 -3.528 1.00 73.34 H new ATOM 0 HD11 LEU A 66 -14.781 -14.373 -1.450 1.00 65.13 H new ATOM 0 HD12 LEU A 66 -13.667 -15.760 -1.392 1.00 65.13 H new ATOM 0 HD13 LEU A 66 -13.033 -14.121 -1.674 1.00 65.13 H new ATOM 0 HD21 LEU A 66 -15.300 -13.270 -3.594 1.00 53.41 H new ATOM 0 HD22 LEU A 66 -13.579 -12.965 -3.929 1.00 53.41 H new ATOM 0 HD23 LEU A 66 -14.571 -13.852 -5.110 1.00 53.41 H new ATOM 1080 N SER A 67 -13.925 -18.167 -5.039 1.00 32.44 N ATOM 1081 CA SER A 67 -15.172 -18.868 -5.396 1.00 10.13 C ATOM 1082 C SER A 67 -14.932 -20.095 -6.286 1.00 41.34 C ATOM 1083 O SER A 67 -14.287 -20.005 -7.335 1.00 53.40 O ATOM 1084 CB SER A 67 -16.129 -17.899 -6.106 1.00 32.12 C ATOM 1085 OG SER A 67 -17.289 -18.566 -6.575 1.00 65.41 O ATOM 0 H SER A 67 -13.367 -17.866 -5.838 1.00 32.44 H new ATOM 0 HA SER A 67 -15.613 -19.225 -4.465 1.00 10.13 H new ATOM 0 HB2 SER A 67 -16.418 -17.103 -5.420 1.00 32.12 H new ATOM 0 HB3 SER A 67 -15.616 -17.427 -6.944 1.00 32.12 H new ATOM 0 HG SER A 67 -18.075 -18.000 -6.425 1.00 65.41 H new ATOM 1091 N LEU A 68 -15.460 -21.243 -5.853 1.00 12.55 N ATOM 1092 CA LEU A 68 -15.413 -22.489 -6.629 1.00 43.14 C ATOM 1093 C LEU A 68 -16.834 -23.006 -6.910 1.00 11.21 C ATOM 1094 O LEU A 68 -17.669 -23.070 -6.006 1.00 63.33 O ATOM 1095 CB LEU A 68 -14.612 -23.561 -5.868 1.00 11.11 C ATOM 1096 CG LEU A 68 -13.122 -23.244 -5.647 1.00 31.31 C ATOM 1097 CD1 LEU A 68 -12.466 -24.303 -4.763 1.00 72.21 C ATOM 1098 CD2 LEU A 68 -12.392 -23.134 -6.986 1.00 30.12 C ATOM 0 H LEU A 68 -15.933 -21.337 -4.954 1.00 12.55 H new ATOM 0 HA LEU A 68 -14.920 -22.281 -7.579 1.00 43.14 H new ATOM 0 HB2 LEU A 68 -15.080 -23.717 -4.896 1.00 11.11 H new ATOM 0 HB3 LEU A 68 -14.688 -24.502 -6.413 1.00 11.11 H new ATOM 0 HG LEU A 68 -13.051 -22.284 -5.136 1.00 31.31 H new ATOM 0 HD11 LEU A 68 -11.414 -24.057 -4.621 1.00 72.21 H new ATOM 0 HD12 LEU A 68 -12.966 -24.329 -3.795 1.00 72.21 H new ATOM 0 HD13 LEU A 68 -12.550 -25.279 -5.241 1.00 72.21 H new ATOM 0 HD21 LEU A 68 -11.340 -22.910 -6.810 1.00 30.12 H new ATOM 0 HD22 LEU A 68 -12.476 -24.078 -7.525 1.00 30.12 H new ATOM 0 HD23 LEU A 68 -12.839 -22.336 -7.579 1.00 30.12 H new ATOM 1110 N SER A 69 -17.107 -23.366 -8.163 1.00 23.22 N ATOM 1111 CA SER A 69 -18.429 -23.885 -8.554 1.00 31.11 C ATOM 1112 C SER A 69 -18.552 -25.393 -8.288 1.00 45.24 C ATOM 1113 O SER A 69 -17.869 -26.204 -8.924 1.00 12.32 O ATOM 1114 CB SER A 69 -18.708 -23.605 -10.037 1.00 20.01 C ATOM 1115 OG SER A 69 -18.643 -22.218 -10.324 1.00 32.23 O ATOM 0 H SER A 69 -16.435 -23.310 -8.929 1.00 23.22 H new ATOM 0 HA SER A 69 -19.167 -23.366 -7.942 1.00 31.11 H new ATOM 0 HB2 SER A 69 -17.984 -24.139 -10.652 1.00 20.01 H new ATOM 0 HB3 SER A 69 -19.694 -23.987 -10.301 1.00 20.01 H new ATOM 0 HG SER A 69 -18.823 -22.072 -11.276 1.00 32.23 H new ATOM 1121 N GLU A 70 -19.416 -25.742 -7.333 1.00 40.51 N ATOM 1122 CA GLU A 70 -19.758 -27.137 -6.989 1.00 14.52 C ATOM 1123 C GLU A 70 -18.537 -28.071 -6.845 1.00 33.25 C ATOM 1124 O GLU A 70 -18.007 -28.259 -5.747 1.00 52.43 O ATOM 1125 CB GLU A 70 -20.752 -27.717 -8.011 1.00 33.12 C ATOM 1126 CG GLU A 70 -21.287 -29.103 -7.643 1.00 34.32 C ATOM 1127 CD GLU A 70 -22.076 -29.107 -6.339 1.00 20.50 C ATOM 1128 OE1 GLU A 70 -21.465 -29.285 -5.265 1.00 35.05 O ATOM 1129 OE2 GLU A 70 -23.310 -28.924 -6.381 1.00 43.02 O ATOM 0 H GLU A 70 -19.910 -25.056 -6.763 1.00 40.51 H new ATOM 0 HA GLU A 70 -20.220 -27.091 -6.003 1.00 14.52 H new ATOM 0 HB2 GLU A 70 -21.592 -27.031 -8.115 1.00 33.12 H new ATOM 0 HB3 GLU A 70 -20.265 -27.774 -8.984 1.00 33.12 H new ATOM 0 HG2 GLU A 70 -21.925 -29.466 -8.449 1.00 34.32 H new ATOM 0 HG3 GLU A 70 -20.452 -29.799 -7.559 1.00 34.32 H new ATOM 1136 N SER A 71 -18.092 -28.658 -7.957 1.00 60.33 N ATOM 1137 CA SER A 71 -17.055 -29.703 -7.926 1.00 61.32 C ATOM 1138 C SER A 71 -15.640 -29.120 -7.967 1.00 52.05 C ATOM 1139 O SER A 71 -14.655 -29.854 -7.861 1.00 45.24 O ATOM 1140 CB SER A 71 -17.244 -30.669 -9.097 1.00 40.02 C ATOM 1141 OG SER A 71 -17.140 -29.995 -10.339 1.00 1.32 O ATOM 0 H SER A 71 -18.430 -28.431 -8.892 1.00 60.33 H new ATOM 0 HA SER A 71 -17.167 -30.236 -6.982 1.00 61.32 H new ATOM 0 HB2 SER A 71 -16.495 -31.459 -9.045 1.00 40.02 H new ATOM 0 HB3 SER A 71 -18.219 -31.150 -9.022 1.00 40.02 H new ATOM 0 HG SER A 71 -17.263 -30.636 -11.070 1.00 1.32 H new ATOM 1147 N GLY A 72 -15.536 -27.802 -8.127 1.00 72.12 N ATOM 1148 CA GLY A 72 -14.228 -27.149 -8.125 1.00 22.52 C ATOM 1149 C GLY A 72 -13.919 -26.357 -9.396 1.00 63.34 C ATOM 1150 O GLY A 72 -12.756 -26.196 -9.765 1.00 63.25 O ATOM 0 H GLY A 72 -16.328 -27.173 -8.258 1.00 72.12 H new ATOM 0 HA2 GLY A 72 -14.172 -26.477 -7.269 1.00 22.52 H new ATOM 0 HA3 GLY A 72 -13.457 -27.907 -7.986 1.00 22.52 H new ATOM 1154 N ARG A 73 -14.952 -25.863 -10.077 1.00 42.14 N ATOM 1155 CA ARG A 73 -14.756 -24.980 -11.237 1.00 2.25 C ATOM 1156 C ARG A 73 -14.360 -23.571 -10.756 1.00 34.32 C ATOM 1157 O ARG A 73 -15.170 -22.867 -10.152 1.00 44.15 O ATOM 1158 CB ARG A 73 -16.032 -24.909 -12.099 1.00 35.13 C ATOM 1159 CG ARG A 73 -16.311 -26.150 -12.957 1.00 42.22 C ATOM 1160 CD ARG A 73 -16.415 -27.433 -12.132 1.00 20.32 C ATOM 1161 NE ARG A 73 -16.919 -28.562 -12.917 1.00 34.03 N ATOM 1162 CZ ARG A 73 -16.192 -29.573 -13.319 1.00 52.33 C ATOM 1163 NH1 ARG A 73 -14.909 -29.584 -13.137 1.00 14.32 N ATOM 1164 NH2 ARG A 73 -16.752 -30.561 -13.935 1.00 71.32 N ATOM 0 H ARG A 73 -15.928 -26.054 -9.852 1.00 42.14 H new ATOM 0 HA ARG A 73 -13.955 -25.390 -11.853 1.00 2.25 H new ATOM 0 HB2 ARG A 73 -16.886 -24.742 -11.442 1.00 35.13 H new ATOM 0 HB3 ARG A 73 -15.960 -24.042 -12.756 1.00 35.13 H new ATOM 0 HG2 ARG A 73 -17.239 -26.003 -13.509 1.00 42.22 H new ATOM 0 HG3 ARG A 73 -15.516 -26.262 -13.694 1.00 42.22 H new ATOM 0 HD2 ARG A 73 -15.434 -27.683 -11.729 1.00 20.32 H new ATOM 0 HD3 ARG A 73 -17.075 -27.262 -11.281 1.00 20.32 H new ATOM 0 HE ARG A 73 -17.908 -28.560 -13.168 1.00 34.03 H new ATOM 0 HH11 ARG A 73 -14.453 -28.797 -12.675 1.00 14.32 H new ATOM 0 HH12 ARG A 73 -14.355 -30.379 -13.456 1.00 14.32 H new ATOM 0 HH21 ARG A 73 -17.757 -30.551 -14.106 1.00 71.32 H new ATOM 0 HH22 ARG A 73 -16.189 -31.351 -14.250 1.00 71.32 H new ATOM 1178 N VAL A 74 -13.116 -23.172 -11.007 1.00 51.22 N ATOM 1179 CA VAL A 74 -12.596 -21.894 -10.500 1.00 34.42 C ATOM 1180 C VAL A 74 -13.338 -20.683 -11.097 1.00 53.33 C ATOM 1181 O VAL A 74 -13.364 -20.489 -12.313 1.00 20.33 O ATOM 1182 CB VAL A 74 -11.080 -21.743 -10.777 1.00 52.11 C ATOM 1183 CG1 VAL A 74 -10.539 -20.456 -10.155 1.00 54.20 C ATOM 1184 CG2 VAL A 74 -10.309 -22.956 -10.259 1.00 23.22 C ATOM 0 H VAL A 74 -12.446 -23.710 -11.557 1.00 51.22 H new ATOM 0 HA VAL A 74 -12.766 -21.911 -9.423 1.00 34.42 H new ATOM 0 HB VAL A 74 -10.939 -21.685 -11.856 1.00 52.11 H new ATOM 0 HG11 VAL A 74 -9.472 -20.372 -10.363 1.00 54.20 H new ATOM 0 HG12 VAL A 74 -11.060 -19.599 -10.581 1.00 54.20 H new ATOM 0 HG13 VAL A 74 -10.698 -20.478 -9.077 1.00 54.20 H new ATOM 0 HG21 VAL A 74 -9.246 -22.827 -10.465 1.00 23.22 H new ATOM 0 HG22 VAL A 74 -10.461 -23.052 -9.184 1.00 23.22 H new ATOM 0 HG23 VAL A 74 -10.669 -23.856 -10.758 1.00 23.22 H new ATOM 1194 N ARG A 75 -13.947 -19.879 -10.225 1.00 25.11 N ATOM 1195 CA ARG A 75 -14.642 -18.649 -10.634 1.00 24.11 C ATOM 1196 C ARG A 75 -13.792 -17.393 -10.373 1.00 13.23 C ATOM 1197 O ARG A 75 -13.214 -16.801 -11.290 1.00 63.53 O ATOM 1198 CB ARG A 75 -15.965 -18.509 -9.865 1.00 34.13 C ATOM 1199 CG ARG A 75 -17.115 -19.364 -10.384 1.00 74.44 C ATOM 1200 CD ARG A 75 -18.352 -19.221 -9.493 1.00 1.42 C ATOM 1201 NE ARG A 75 -18.549 -17.836 -9.045 1.00 64.22 N ATOM 1202 CZ ARG A 75 -19.693 -17.211 -9.040 1.00 74.43 C ATOM 1203 NH1 ARG A 75 -20.771 -17.797 -9.448 1.00 42.11 N ATOM 1204 NH2 ARG A 75 -19.751 -15.992 -8.608 1.00 44.35 N ATOM 0 H ARG A 75 -13.975 -20.056 -9.221 1.00 25.11 H new ATOM 0 HA ARG A 75 -14.827 -18.729 -11.705 1.00 24.11 H new ATOM 0 HB2 ARG A 75 -15.787 -18.764 -8.820 1.00 34.13 H new ATOM 0 HB3 ARG A 75 -16.272 -17.463 -9.890 1.00 34.13 H new ATOM 0 HG2 ARG A 75 -17.361 -19.068 -11.404 1.00 74.44 H new ATOM 0 HG3 ARG A 75 -16.808 -20.409 -10.421 1.00 74.44 H new ATOM 0 HD2 ARG A 75 -19.234 -19.554 -10.040 1.00 1.42 H new ATOM 0 HD3 ARG A 75 -18.251 -19.872 -8.625 1.00 1.42 H new ATOM 0 HE ARG A 75 -17.730 -17.326 -8.713 1.00 64.22 H new ATOM 0 HH11 ARG A 75 -20.733 -18.761 -9.779 1.00 42.11 H new ATOM 0 HH12 ARG A 75 -21.659 -17.295 -9.438 1.00 42.11 H new ATOM 0 HH21 ARG A 75 -18.906 -15.528 -8.275 1.00 44.35 H new ATOM 0 HH22 ARG A 75 -20.642 -15.495 -8.601 1.00 44.35 H new ATOM 1218 N GLU A 76 -13.730 -16.997 -9.099 1.00 43.32 N ATOM 1219 CA GLU A 76 -13.103 -15.734 -8.693 1.00 54.34 C ATOM 1220 C GLU A 76 -11.907 -15.973 -7.756 1.00 64.41 C ATOM 1221 O GLU A 76 -11.974 -16.790 -6.834 1.00 2.32 O ATOM 1222 CB GLU A 76 -14.153 -14.844 -8.004 1.00 62.43 C ATOM 1223 CG GLU A 76 -15.359 -14.523 -8.889 1.00 72.55 C ATOM 1224 CD GLU A 76 -16.480 -13.806 -8.148 1.00 54.42 C ATOM 1225 OE1 GLU A 76 -16.377 -12.577 -7.940 1.00 31.11 O ATOM 1226 OE2 GLU A 76 -17.477 -14.469 -7.777 1.00 23.30 O ATOM 0 H GLU A 76 -14.110 -17.539 -8.323 1.00 43.32 H new ATOM 0 HA GLU A 76 -12.724 -15.234 -9.584 1.00 54.34 H new ATOM 0 HB2 GLU A 76 -14.500 -15.341 -7.098 1.00 62.43 H new ATOM 0 HB3 GLU A 76 -13.681 -13.911 -7.696 1.00 62.43 H new ATOM 0 HG2 GLU A 76 -15.032 -13.904 -9.725 1.00 72.55 H new ATOM 0 HG3 GLU A 76 -15.747 -15.450 -9.311 1.00 72.55 H new ATOM 1233 N PHE A 77 -10.821 -15.250 -8.001 1.00 14.54 N ATOM 1234 CA PHE A 77 -9.580 -15.393 -7.232 1.00 63.42 C ATOM 1235 C PHE A 77 -9.457 -14.261 -6.188 1.00 73.20 C ATOM 1236 O PHE A 77 -9.718 -13.095 -6.487 1.00 15.41 O ATOM 1237 CB PHE A 77 -8.387 -15.383 -8.206 1.00 0.30 C ATOM 1238 CG PHE A 77 -7.157 -16.098 -7.709 1.00 13.30 C ATOM 1239 CD1 PHE A 77 -7.126 -17.485 -7.641 1.00 65.51 C ATOM 1240 CD2 PHE A 77 -6.026 -15.390 -7.330 1.00 41.42 C ATOM 1241 CE1 PHE A 77 -5.994 -18.148 -7.203 1.00 53.03 C ATOM 1242 CE2 PHE A 77 -4.896 -16.048 -6.889 1.00 14.33 C ATOM 1243 CZ PHE A 77 -4.878 -17.428 -6.827 1.00 44.24 C ATOM 0 H PHE A 77 -10.771 -14.546 -8.738 1.00 14.54 H new ATOM 0 HA PHE A 77 -9.589 -16.338 -6.689 1.00 63.42 H new ATOM 0 HB2 PHE A 77 -8.700 -15.839 -9.146 1.00 0.30 H new ATOM 0 HB3 PHE A 77 -8.124 -14.348 -8.425 1.00 0.30 H new ATOM 0 HD1 PHE A 77 -7.997 -18.053 -7.934 1.00 65.51 H new ATOM 0 HD2 PHE A 77 -6.030 -14.311 -7.381 1.00 41.42 H new ATOM 0 HE1 PHE A 77 -5.983 -19.227 -7.155 1.00 53.03 H new ATOM 0 HE2 PHE A 77 -4.025 -15.483 -6.592 1.00 14.33 H new ATOM 0 HZ PHE A 77 -3.992 -17.943 -6.485 1.00 44.24 H new ATOM 1253 N GLU A 78 -9.060 -14.615 -4.967 1.00 53.22 N ATOM 1254 CA GLU A 78 -9.038 -13.672 -3.836 1.00 54.10 C ATOM 1255 C GLU A 78 -7.630 -13.089 -3.595 1.00 64.22 C ATOM 1256 O GLU A 78 -6.757 -13.761 -3.050 1.00 11.33 O ATOM 1257 CB GLU A 78 -9.524 -14.394 -2.568 1.00 42.31 C ATOM 1258 CG GLU A 78 -9.665 -13.499 -1.341 1.00 5.44 C ATOM 1259 CD GLU A 78 -10.033 -14.286 -0.090 1.00 12.20 C ATOM 1260 OE1 GLU A 78 -11.093 -14.943 -0.083 1.00 12.01 O ATOM 1261 OE2 GLU A 78 -9.256 -14.272 0.886 1.00 65.41 O ATOM 0 H GLU A 78 -8.745 -15.555 -4.728 1.00 53.22 H new ATOM 0 HA GLU A 78 -9.699 -12.840 -4.078 1.00 54.10 H new ATOM 0 HB2 GLU A 78 -10.489 -14.857 -2.777 1.00 42.31 H new ATOM 0 HB3 GLU A 78 -8.828 -15.200 -2.335 1.00 42.31 H new ATOM 0 HG2 GLU A 78 -8.728 -12.969 -1.171 1.00 5.44 H new ATOM 0 HG3 GLU A 78 -10.428 -12.744 -1.530 1.00 5.44 H new ATOM 1268 N LEU A 79 -7.418 -11.840 -4.004 1.00 33.42 N ATOM 1269 CA LEU A 79 -6.134 -11.156 -3.781 1.00 13.44 C ATOM 1270 C LEU A 79 -6.195 -10.266 -2.526 1.00 30.13 C ATOM 1271 O LEU A 79 -6.808 -9.201 -2.550 1.00 61.22 O ATOM 1272 CB LEU A 79 -5.778 -10.296 -5.005 1.00 61.01 C ATOM 1273 CG LEU A 79 -5.750 -11.034 -6.353 1.00 13.34 C ATOM 1274 CD1 LEU A 79 -5.426 -10.069 -7.493 1.00 10.04 C ATOM 1275 CD2 LEU A 79 -4.751 -12.187 -6.321 1.00 51.43 C ATOM 0 H LEU A 79 -8.114 -11.276 -4.492 1.00 33.42 H new ATOM 0 HA LEU A 79 -5.366 -11.915 -3.632 1.00 13.44 H new ATOM 0 HB2 LEU A 79 -6.497 -9.479 -5.074 1.00 61.01 H new ATOM 0 HB3 LEU A 79 -4.799 -9.846 -4.838 1.00 61.01 H new ATOM 0 HG LEU A 79 -6.742 -11.450 -6.531 1.00 13.34 H new ATOM 0 HD11 LEU A 79 -5.411 -10.613 -8.437 1.00 10.04 H new ATOM 0 HD12 LEU A 79 -6.185 -9.288 -7.536 1.00 10.04 H new ATOM 0 HD13 LEU A 79 -4.450 -9.616 -7.320 1.00 10.04 H new ATOM 0 HD21 LEU A 79 -4.749 -12.694 -7.286 1.00 51.43 H new ATOM 0 HD22 LEU A 79 -3.754 -11.799 -6.113 1.00 51.43 H new ATOM 0 HD23 LEU A 79 -5.035 -12.893 -5.541 1.00 51.43 H new ATOM 1287 N VAL A 80 -5.573 -10.699 -1.429 1.00 3.22 N ATOM 1288 CA VAL A 80 -5.580 -9.911 -0.186 1.00 61.23 C ATOM 1289 C VAL A 80 -4.218 -9.234 0.073 1.00 30.02 C ATOM 1290 O VAL A 80 -3.164 -9.876 0.028 1.00 73.23 O ATOM 1291 CB VAL A 80 -5.985 -10.779 1.036 1.00 60.54 C ATOM 1292 CG1 VAL A 80 -5.033 -11.955 1.226 1.00 43.32 C ATOM 1293 CG2 VAL A 80 -6.068 -9.929 2.305 1.00 14.33 C ATOM 0 H VAL A 80 -5.062 -11.580 -1.370 1.00 3.22 H new ATOM 0 HA VAL A 80 -6.328 -9.129 -0.318 1.00 61.23 H new ATOM 0 HB VAL A 80 -6.975 -11.188 0.837 1.00 60.54 H new ATOM 0 HG11 VAL A 80 -5.346 -12.541 2.090 1.00 43.32 H new ATOM 0 HG12 VAL A 80 -5.049 -12.584 0.336 1.00 43.32 H new ATOM 0 HG13 VAL A 80 -4.022 -11.582 1.388 1.00 43.32 H new ATOM 0 HG21 VAL A 80 -6.353 -10.559 3.147 1.00 14.33 H new ATOM 0 HG22 VAL A 80 -5.097 -9.476 2.504 1.00 14.33 H new ATOM 0 HG23 VAL A 80 -6.813 -9.145 2.170 1.00 14.33 H new ATOM 1303 N TYR A 81 -4.254 -7.929 0.338 1.00 45.41 N ATOM 1304 CA TYR A 81 -3.036 -7.140 0.568 1.00 1.10 C ATOM 1305 C TYR A 81 -3.099 -6.395 1.916 1.00 74.31 C ATOM 1306 O TYR A 81 -3.954 -5.535 2.129 1.00 53.31 O ATOM 1307 CB TYR A 81 -2.846 -6.149 -0.592 1.00 62.12 C ATOM 1308 CG TYR A 81 -1.481 -5.481 -0.652 1.00 20.23 C ATOM 1309 CD1 TYR A 81 -0.319 -6.192 -0.373 1.00 2.23 C ATOM 1310 CD2 TYR A 81 -1.355 -4.142 -1.008 1.00 52.41 C ATOM 1311 CE1 TYR A 81 0.924 -5.590 -0.440 1.00 40.14 C ATOM 1312 CE2 TYR A 81 -0.115 -3.535 -1.080 1.00 40.11 C ATOM 1313 CZ TYR A 81 1.020 -4.263 -0.795 1.00 3.32 C ATOM 1314 OH TYR A 81 2.258 -3.661 -0.870 1.00 43.53 O ATOM 0 H TYR A 81 -5.117 -7.389 0.400 1.00 45.41 H new ATOM 0 HA TYR A 81 -2.182 -7.816 0.610 1.00 1.10 H new ATOM 0 HB2 TYR A 81 -3.017 -6.675 -1.531 1.00 62.12 H new ATOM 0 HB3 TYR A 81 -3.609 -5.375 -0.517 1.00 62.12 H new ATOM 0 HD1 TYR A 81 -0.389 -7.234 -0.099 1.00 2.23 H new ATOM 0 HD2 TYR A 81 -2.241 -3.567 -1.232 1.00 52.41 H new ATOM 0 HE1 TYR A 81 1.815 -6.158 -0.215 1.00 40.14 H new ATOM 0 HE2 TYR A 81 -0.036 -2.495 -1.358 1.00 40.11 H new ATOM 0 HH TYR A 81 2.181 -2.814 -1.356 1.00 43.53 H new ATOM 1324 N ARG A 82 -2.190 -6.743 2.821 1.00 22.14 N ATOM 1325 CA ARG A 82 -2.139 -6.148 4.163 1.00 54.43 C ATOM 1326 C ARG A 82 -0.809 -5.405 4.392 1.00 62.42 C ATOM 1327 O ARG A 82 0.252 -6.026 4.490 1.00 25.22 O ATOM 1328 CB ARG A 82 -2.313 -7.252 5.217 1.00 42.32 C ATOM 1329 CG ARG A 82 -3.660 -7.974 5.144 1.00 35.31 C ATOM 1330 CD ARG A 82 -3.660 -9.252 5.979 1.00 20.02 C ATOM 1331 NE ARG A 82 -3.252 -9.009 7.361 1.00 4.21 N ATOM 1332 CZ ARG A 82 -2.593 -9.865 8.094 1.00 73.01 C ATOM 1333 NH1 ARG A 82 -2.275 -11.031 7.625 1.00 41.15 N ATOM 1334 NH2 ARG A 82 -2.253 -9.548 9.301 1.00 20.13 N ATOM 0 H ARG A 82 -1.468 -7.443 2.651 1.00 22.14 H new ATOM 0 HA ARG A 82 -2.948 -5.423 4.252 1.00 54.43 H new ATOM 0 HB2 ARG A 82 -1.513 -7.983 5.098 1.00 42.32 H new ATOM 0 HB3 ARG A 82 -2.200 -6.814 6.209 1.00 42.32 H new ATOM 0 HG2 ARG A 82 -4.449 -7.309 5.496 1.00 35.31 H new ATOM 0 HG3 ARG A 82 -3.887 -8.217 4.106 1.00 35.31 H new ATOM 0 HD2 ARG A 82 -4.658 -9.691 5.968 1.00 20.02 H new ATOM 0 HD3 ARG A 82 -2.987 -9.980 5.526 1.00 20.02 H new ATOM 0 HE ARG A 82 -3.498 -8.112 7.780 1.00 4.21 H new ATOM 0 HH11 ARG A 82 -2.540 -11.288 6.674 1.00 41.15 H new ATOM 0 HH12 ARG A 82 -1.760 -11.692 8.207 1.00 41.15 H new ATOM 0 HH21 ARG A 82 -2.500 -8.632 9.677 1.00 20.13 H new ATOM 0 HH22 ARG A 82 -1.738 -10.214 9.877 1.00 20.13 H new ATOM 1348 N VAL A 83 -0.865 -4.079 4.476 1.00 4.44 N ATOM 1349 CA VAL A 83 0.343 -3.266 4.669 1.00 62.24 C ATOM 1350 C VAL A 83 0.488 -2.803 6.128 1.00 43.13 C ATOM 1351 O VAL A 83 -0.301 -1.993 6.615 1.00 73.01 O ATOM 1352 CB VAL A 83 0.342 -2.025 3.740 1.00 15.31 C ATOM 1353 CG1 VAL A 83 1.623 -1.211 3.916 1.00 45.23 C ATOM 1354 CG2 VAL A 83 0.163 -2.447 2.285 1.00 41.34 C ATOM 0 H VAL A 83 -1.729 -3.541 4.414 1.00 4.44 H new ATOM 0 HA VAL A 83 1.190 -3.903 4.415 1.00 62.24 H new ATOM 0 HB VAL A 83 -0.499 -1.390 4.019 1.00 15.31 H new ATOM 0 HG11 VAL A 83 1.598 -0.346 3.254 1.00 45.23 H new ATOM 0 HG12 VAL A 83 1.701 -0.874 4.950 1.00 45.23 H new ATOM 0 HG13 VAL A 83 2.485 -1.831 3.670 1.00 45.23 H new ATOM 0 HG21 VAL A 83 0.165 -1.563 1.647 1.00 41.34 H new ATOM 0 HG22 VAL A 83 0.981 -3.106 1.994 1.00 41.34 H new ATOM 0 HG23 VAL A 83 -0.785 -2.974 2.173 1.00 41.34 H new ATOM 1364 N ALA A 84 1.500 -3.324 6.821 1.00 54.42 N ATOM 1365 CA ALA A 84 1.777 -2.933 8.209 1.00 41.12 C ATOM 1366 C ALA A 84 2.792 -1.778 8.269 1.00 1.00 C ATOM 1367 O ALA A 84 3.918 -1.908 7.787 1.00 14.40 O ATOM 1368 CB ALA A 84 2.289 -4.135 9.001 1.00 33.21 C ATOM 0 H ALA A 84 2.145 -4.020 6.446 1.00 54.42 H new ATOM 0 HA ALA A 84 0.847 -2.584 8.657 1.00 41.12 H new ATOM 0 HB1 ALA A 84 2.491 -3.834 10.029 1.00 33.21 H new ATOM 0 HB2 ALA A 84 1.535 -4.922 8.995 1.00 33.21 H new ATOM 0 HB3 ALA A 84 3.206 -4.507 8.545 1.00 33.21 H new ATOM 1374 N ALA A 85 2.392 -0.652 8.860 1.00 51.23 N ATOM 1375 CA ALA A 85 3.263 0.530 8.943 1.00 30.04 C ATOM 1376 C ALA A 85 3.145 1.245 10.300 1.00 35.23 C ATOM 1377 O ALA A 85 2.135 1.132 10.991 1.00 45.01 O ATOM 1378 CB ALA A 85 2.935 1.496 7.808 1.00 21.00 C ATOM 0 H ALA A 85 1.474 -0.529 9.288 1.00 51.23 H new ATOM 0 HA ALA A 85 4.293 0.187 8.847 1.00 30.04 H new ATOM 0 HB1 ALA A 85 3.583 2.370 7.875 1.00 21.00 H new ATOM 0 HB2 ALA A 85 3.093 0.999 6.851 1.00 21.00 H new ATOM 0 HB3 ALA A 85 1.894 1.810 7.887 1.00 21.00 H new ATOM 1384 N ARG A 86 4.191 1.980 10.669 1.00 42.20 N ATOM 1385 CA ARG A 86 4.227 2.742 11.926 1.00 24.01 C ATOM 1386 C ARG A 86 4.279 4.254 11.640 1.00 63.34 C ATOM 1387 O ARG A 86 4.926 4.685 10.684 1.00 52.22 O ATOM 1388 CB ARG A 86 5.465 2.351 12.754 1.00 61.21 C ATOM 1389 CG ARG A 86 5.612 0.855 13.056 1.00 42.42 C ATOM 1390 CD ARG A 86 4.525 0.323 13.993 1.00 53.42 C ATOM 1391 NE ARG A 86 3.258 0.083 13.303 1.00 30.51 N ATOM 1392 CZ ARG A 86 2.766 -1.104 13.061 1.00 24.21 C ATOM 1393 NH1 ARG A 86 3.406 -2.174 13.419 1.00 23.15 N ATOM 1394 NH2 ARG A 86 1.630 -1.214 12.456 1.00 22.44 N ATOM 0 H ARG A 86 5.039 2.068 10.110 1.00 42.20 H new ATOM 0 HA ARG A 86 3.321 2.508 12.486 1.00 24.01 H new ATOM 0 HB2 ARG A 86 6.356 2.686 12.223 1.00 61.21 H new ATOM 0 HB3 ARG A 86 5.434 2.893 13.699 1.00 61.21 H new ATOM 0 HG2 ARG A 86 5.582 0.297 12.120 1.00 42.42 H new ATOM 0 HG3 ARG A 86 6.589 0.675 13.504 1.00 42.42 H new ATOM 0 HD2 ARG A 86 4.867 -0.605 14.451 1.00 53.42 H new ATOM 0 HD3 ARG A 86 4.365 1.037 14.801 1.00 53.42 H new ATOM 0 HE ARG A 86 2.724 0.894 12.990 1.00 30.51 H new ATOM 0 HH11 ARG A 86 4.304 -2.095 13.895 1.00 23.15 H new ATOM 0 HH12 ARG A 86 3.011 -3.094 13.224 1.00 23.15 H new ATOM 0 HH21 ARG A 86 1.122 -0.377 12.170 1.00 22.44 H new ATOM 0 HH22 ARG A 86 1.241 -2.137 12.265 1.00 22.44 H new ATOM 1408 N LEU A 87 3.610 5.052 12.471 1.00 0.40 N ATOM 1409 CA LEU A 87 3.622 6.516 12.315 1.00 75.53 C ATOM 1410 C LEU A 87 4.368 7.168 13.498 1.00 12.44 C ATOM 1411 O LEU A 87 3.864 7.221 14.623 1.00 55.40 O ATOM 1412 CB LEU A 87 2.172 7.036 12.198 1.00 1.52 C ATOM 1413 CG LEU A 87 1.979 8.419 11.536 1.00 54.11 C ATOM 1414 CD1 LEU A 87 0.505 8.640 11.195 1.00 60.10 C ATOM 1415 CD2 LEU A 87 2.483 9.548 12.433 1.00 72.23 C ATOM 0 H LEU A 87 3.054 4.717 13.257 1.00 0.40 H new ATOM 0 HA LEU A 87 4.153 6.786 11.402 1.00 75.53 H new ATOM 0 HB2 LEU A 87 1.594 6.305 11.633 1.00 1.52 H new ATOM 0 HB3 LEU A 87 1.744 7.076 13.199 1.00 1.52 H new ATOM 0 HG LEU A 87 2.568 8.432 10.619 1.00 54.11 H new ATOM 0 HD11 LEU A 87 0.382 9.618 10.729 1.00 60.10 H new ATOM 0 HD12 LEU A 87 0.171 7.865 10.505 1.00 60.10 H new ATOM 0 HD13 LEU A 87 -0.090 8.595 12.107 1.00 60.10 H new ATOM 0 HD21 LEU A 87 2.331 10.505 11.934 1.00 72.23 H new ATOM 0 HD22 LEU A 87 1.933 9.538 13.374 1.00 72.23 H new ATOM 0 HD23 LEU A 87 3.545 9.408 12.632 1.00 72.23 H new ATOM 1427 N LEU A 88 5.576 7.662 13.231 1.00 54.32 N ATOM 1428 CA LEU A 88 6.474 8.134 14.292 1.00 21.32 C ATOM 1429 C LEU A 88 6.813 9.629 14.166 1.00 55.31 C ATOM 1430 O LEU A 88 6.516 10.275 13.162 1.00 61.42 O ATOM 1431 CB LEU A 88 7.774 7.315 14.255 1.00 60.13 C ATOM 1432 CG LEU A 88 7.593 5.795 14.395 1.00 60.52 C ATOM 1433 CD1 LEU A 88 8.881 5.063 14.036 1.00 15.24 C ATOM 1434 CD2 LEU A 88 7.137 5.427 15.807 1.00 42.13 C ATOM 0 H LEU A 88 5.959 7.747 12.289 1.00 54.32 H new ATOM 0 HA LEU A 88 5.954 7.999 15.240 1.00 21.32 H new ATOM 0 HB2 LEU A 88 8.287 7.519 13.315 1.00 60.13 H new ATOM 0 HB3 LEU A 88 8.427 7.663 15.056 1.00 60.13 H new ATOM 0 HG LEU A 88 6.816 5.482 13.697 1.00 60.52 H new ATOM 0 HD11 LEU A 88 8.731 3.989 14.142 1.00 15.24 H new ATOM 0 HD12 LEU A 88 9.154 5.291 13.006 1.00 15.24 H new ATOM 0 HD13 LEU A 88 9.681 5.385 14.703 1.00 15.24 H new ATOM 0 HD21 LEU A 88 7.016 4.346 15.880 1.00 42.13 H new ATOM 0 HD22 LEU A 88 7.884 5.758 16.528 1.00 42.13 H new ATOM 0 HD23 LEU A 88 6.185 5.914 16.020 1.00 42.13 H new ATOM 1446 N ASP A 89 7.449 10.153 15.207 1.00 52.32 N ATOM 1447 CA ASP A 89 7.947 11.528 15.236 1.00 10.44 C ATOM 1448 C ASP A 89 9.432 11.554 14.824 1.00 32.22 C ATOM 1449 O ASP A 89 10.125 10.542 14.935 1.00 25.21 O ATOM 1450 CB ASP A 89 7.757 12.096 16.652 1.00 34.14 C ATOM 1451 CG ASP A 89 8.416 13.448 16.851 1.00 15.43 C ATOM 1452 OD1 ASP A 89 7.850 14.463 16.406 1.00 0.32 O ATOM 1453 OD2 ASP A 89 9.503 13.498 17.462 1.00 23.33 O ATOM 0 H ASP A 89 7.637 9.633 16.064 1.00 52.32 H new ATOM 0 HA ASP A 89 7.391 12.145 14.530 1.00 10.44 H new ATOM 0 HB2 ASP A 89 6.691 12.185 16.860 1.00 34.14 H new ATOM 0 HB3 ASP A 89 8.165 11.391 17.376 1.00 34.14 H new ATOM 1458 N ALA A 90 9.919 12.708 14.359 1.00 43.52 N ATOM 1459 CA ALA A 90 11.314 12.837 13.893 1.00 10.42 C ATOM 1460 C ALA A 90 12.340 12.375 14.942 1.00 72.25 C ATOM 1461 O ALA A 90 13.461 11.989 14.602 1.00 62.04 O ATOM 1462 CB ALA A 90 11.605 14.274 13.490 1.00 21.54 C ATOM 0 H ALA A 90 9.374 13.568 14.293 1.00 43.52 H new ATOM 0 HA ALA A 90 11.416 12.180 13.029 1.00 10.42 H new ATOM 0 HB1 ALA A 90 12.637 14.354 13.149 1.00 21.54 H new ATOM 0 HB2 ALA A 90 10.932 14.569 12.685 1.00 21.54 H new ATOM 0 HB3 ALA A 90 11.454 14.930 14.347 1.00 21.54 H new ATOM 1468 N HIS A 91 11.955 12.422 16.214 1.00 5.43 N ATOM 1469 CA HIS A 91 12.827 11.984 17.310 1.00 43.32 C ATOM 1470 C HIS A 91 12.605 10.498 17.647 1.00 53.23 C ATOM 1471 O HIS A 91 12.866 10.058 18.767 1.00 35.12 O ATOM 1472 CB HIS A 91 12.585 12.866 18.542 1.00 45.15 C ATOM 1473 CG HIS A 91 12.855 14.318 18.282 1.00 71.51 C ATOM 1474 ND1 HIS A 91 14.009 14.953 18.685 1.00 31.42 N ATOM 1475 CD2 HIS A 91 12.123 15.255 17.634 1.00 11.42 C ATOM 1476 CE1 HIS A 91 13.974 16.211 18.295 1.00 13.41 C ATOM 1477 NE2 HIS A 91 12.843 16.422 17.652 1.00 53.40 N ATOM 0 H HIS A 91 11.041 12.760 16.517 1.00 5.43 H new ATOM 0 HA HIS A 91 13.864 12.090 16.992 1.00 43.32 H new ATOM 0 HB2 HIS A 91 11.553 12.747 18.871 1.00 45.15 H new ATOM 0 HB3 HIS A 91 13.221 12.524 19.358 1.00 45.15 H new ATOM 0 HD2 HIS A 91 11.151 15.110 17.186 1.00 11.42 H new ATOM 0 HE1 HIS A 91 14.744 16.947 18.473 1.00 13.41 H new ATOM 0 HE2 HIS A 91 12.552 17.307 17.237 1.00 53.40 H new ATOM 1486 N ASN A 92 12.127 9.733 16.659 1.00 64.42 N ATOM 1487 CA ASN A 92 11.926 8.278 16.793 1.00 3.02 C ATOM 1488 C ASN A 92 10.859 7.931 17.853 1.00 34.33 C ATOM 1489 O ASN A 92 10.811 6.807 18.354 1.00 33.24 O ATOM 1490 CB ASN A 92 13.258 7.581 17.125 1.00 23.31 C ATOM 1491 CG ASN A 92 14.310 7.800 16.052 1.00 53.35 C ATOM 1492 OD1 ASN A 92 14.421 7.031 15.104 1.00 44.12 O ATOM 1493 ND2 ASN A 92 15.104 8.843 16.194 1.00 33.42 N ATOM 0 H ASN A 92 11.868 10.101 15.744 1.00 64.42 H new ATOM 0 HA ASN A 92 11.559 7.913 15.834 1.00 3.02 H new ATOM 0 HB2 ASN A 92 13.632 7.954 18.078 1.00 23.31 H new ATOM 0 HB3 ASN A 92 13.085 6.512 17.247 1.00 23.31 H new ATOM 0 HD21 ASN A 92 15.833 9.026 15.505 1.00 33.42 H new ATOM 0 HD22 ASN A 92 14.989 9.467 16.993 1.00 33.42 H new ATOM 1500 N ALA A 93 9.987 8.888 18.161 1.00 31.15 N ATOM 1501 CA ALA A 93 8.945 8.696 19.178 1.00 23.55 C ATOM 1502 C ALA A 93 7.636 8.189 18.552 1.00 24.42 C ATOM 1503 O ALA A 93 7.378 8.408 17.370 1.00 20.34 O ATOM 1504 CB ALA A 93 8.701 10.003 19.925 1.00 51.33 C ATOM 0 H ALA A 93 9.978 9.809 17.722 1.00 31.15 H new ATOM 0 HA ALA A 93 9.293 7.938 19.880 1.00 23.55 H new ATOM 0 HB1 ALA A 93 7.927 9.853 20.678 1.00 51.33 H new ATOM 0 HB2 ALA A 93 9.623 10.322 20.411 1.00 51.33 H new ATOM 0 HB3 ALA A 93 8.378 10.770 19.221 1.00 51.33 H new ATOM 1510 N GLU A 94 6.807 7.521 19.347 1.00 4.14 N ATOM 1511 CA GLU A 94 5.526 7.003 18.852 1.00 44.32 C ATOM 1512 C GLU A 94 4.472 8.122 18.749 1.00 43.21 C ATOM 1513 O GLU A 94 3.806 8.468 19.725 1.00 33.00 O ATOM 1514 CB GLU A 94 5.007 5.838 19.724 1.00 2.30 C ATOM 1515 CG GLU A 94 4.823 6.155 21.212 1.00 12.31 C ATOM 1516 CD GLU A 94 6.134 6.222 21.979 1.00 1.42 C ATOM 1517 OE1 GLU A 94 6.663 5.156 22.354 1.00 12.32 O ATOM 1518 OE2 GLU A 94 6.641 7.338 22.215 1.00 63.41 O ATOM 0 H GLU A 94 6.992 7.324 20.330 1.00 4.14 H new ATOM 0 HA GLU A 94 5.703 6.613 17.850 1.00 44.32 H new ATOM 0 HB2 GLU A 94 4.051 5.504 19.321 1.00 2.30 H new ATOM 0 HB3 GLU A 94 5.701 5.002 19.632 1.00 2.30 H new ATOM 0 HG2 GLU A 94 4.303 7.108 21.312 1.00 12.31 H new ATOM 0 HG3 GLU A 94 4.185 5.394 21.662 1.00 12.31 H new ATOM 1525 N LEU A 95 4.338 8.691 17.554 1.00 34.03 N ATOM 1526 CA LEU A 95 3.389 9.787 17.317 1.00 4.53 C ATOM 1527 C LEU A 95 1.948 9.253 17.245 1.00 74.15 C ATOM 1528 O LEU A 95 1.072 9.688 17.996 1.00 14.42 O ATOM 1529 CB LEU A 95 3.765 10.533 16.018 1.00 23.11 C ATOM 1530 CG LEU A 95 3.156 11.944 15.825 1.00 55.53 C ATOM 1531 CD1 LEU A 95 1.651 11.887 15.548 1.00 5.03 C ATOM 1532 CD2 LEU A 95 3.449 12.826 17.041 1.00 44.45 C ATOM 0 H LEU A 95 4.873 8.414 16.731 1.00 34.03 H new ATOM 0 HA LEU A 95 3.443 10.487 18.151 1.00 4.53 H new ATOM 0 HB2 LEU A 95 4.851 10.623 15.979 1.00 23.11 H new ATOM 0 HB3 LEU A 95 3.466 9.915 15.172 1.00 23.11 H new ATOM 0 HG LEU A 95 3.629 12.386 14.948 1.00 55.53 H new ATOM 0 HD11 LEU A 95 1.266 12.899 15.419 1.00 5.03 H new ATOM 0 HD12 LEU A 95 1.470 11.312 14.640 1.00 5.03 H new ATOM 0 HD13 LEU A 95 1.144 11.410 16.387 1.00 5.03 H new ATOM 0 HD21 LEU A 95 3.014 13.813 16.888 1.00 44.45 H new ATOM 0 HD22 LEU A 95 3.015 12.373 17.932 1.00 44.45 H new ATOM 0 HD23 LEU A 95 4.527 12.921 17.170 1.00 44.45 H new ATOM 1544 N ALA A 96 1.713 8.305 16.343 1.00 51.40 N ATOM 1545 CA ALA A 96 0.378 7.731 16.149 1.00 74.42 C ATOM 1546 C ALA A 96 0.452 6.240 15.790 1.00 14.52 C ATOM 1547 O ALA A 96 1.198 5.837 14.896 1.00 71.23 O ATOM 1548 CB ALA A 96 -0.368 8.503 15.066 1.00 74.22 C ATOM 0 H ALA A 96 2.430 7.914 15.731 1.00 51.40 H new ATOM 0 HA ALA A 96 -0.166 7.816 17.090 1.00 74.42 H new ATOM 0 HB1 ALA A 96 -1.359 8.070 14.928 1.00 74.22 H new ATOM 0 HB2 ALA A 96 -0.466 9.547 15.365 1.00 74.22 H new ATOM 0 HB3 ALA A 96 0.187 8.445 14.130 1.00 74.22 H new ATOM 1554 N SER A 97 -0.325 5.418 16.489 1.00 40.43 N ATOM 1555 CA SER A 97 -0.339 3.973 16.234 1.00 61.12 C ATOM 1556 C SER A 97 -1.074 3.641 14.932 1.00 2.55 C ATOM 1557 O SER A 97 -2.296 3.480 14.916 1.00 42.52 O ATOM 1558 CB SER A 97 -0.986 3.207 17.397 1.00 33.24 C ATOM 1559 OG SER A 97 -0.987 1.808 17.150 1.00 42.42 O ATOM 0 H SER A 97 -0.952 5.722 17.234 1.00 40.43 H new ATOM 0 HA SER A 97 0.701 3.659 16.140 1.00 61.12 H new ATOM 0 HB2 SER A 97 -0.445 3.416 18.320 1.00 33.24 H new ATOM 0 HB3 SER A 97 -2.009 3.555 17.541 1.00 33.24 H new ATOM 0 HG SER A 97 -1.403 1.343 17.906 1.00 42.42 H new ATOM 1565 N LEU A 98 -0.328 3.572 13.835 1.00 73.53 N ATOM 1566 CA LEU A 98 -0.890 3.176 12.543 1.00 11.21 C ATOM 1567 C LEU A 98 -0.996 1.644 12.455 1.00 51.12 C ATOM 1568 O LEU A 98 -0.018 0.927 12.676 1.00 52.24 O ATOM 1569 CB LEU A 98 -0.026 3.729 11.398 1.00 43.13 C ATOM 1570 CG LEU A 98 -0.576 3.500 9.976 1.00 24.42 C ATOM 1571 CD1 LEU A 98 -1.982 4.079 9.836 1.00 72.01 C ATOM 1572 CD2 LEU A 98 0.364 4.114 8.937 1.00 10.12 C ATOM 0 H LEU A 98 0.669 3.785 13.812 1.00 73.53 H new ATOM 0 HA LEU A 98 -1.892 3.594 12.451 1.00 11.21 H new ATOM 0 HB2 LEU A 98 0.103 4.801 11.550 1.00 43.13 H new ATOM 0 HB3 LEU A 98 0.963 3.276 11.462 1.00 43.13 H new ATOM 0 HG LEU A 98 -0.634 2.426 9.801 1.00 24.42 H new ATOM 0 HD11 LEU A 98 -2.348 3.905 8.824 1.00 72.01 H new ATOM 0 HD12 LEU A 98 -2.648 3.595 10.551 1.00 72.01 H new ATOM 0 HD13 LEU A 98 -1.955 5.151 10.033 1.00 72.01 H new ATOM 0 HD21 LEU A 98 -0.037 3.944 7.938 1.00 10.12 H new ATOM 0 HD22 LEU A 98 0.453 5.186 9.115 1.00 10.12 H new ATOM 0 HD23 LEU A 98 1.347 3.650 9.017 1.00 10.12 H new ATOM 1584 N GLN A 99 -2.191 1.149 12.150 1.00 0.11 N ATOM 1585 CA GLN A 99 -2.444 -0.295 12.112 1.00 4.22 C ATOM 1586 C GLN A 99 -2.326 -0.844 10.677 1.00 23.15 C ATOM 1587 O GLN A 99 -2.366 -0.084 9.709 1.00 53.23 O ATOM 1588 CB GLN A 99 -3.842 -0.584 12.690 1.00 55.13 C ATOM 1589 CG GLN A 99 -4.115 -2.057 12.971 1.00 62.53 C ATOM 1590 CD GLN A 99 -3.114 -2.665 13.941 1.00 2.14 C ATOM 1591 OE1 GLN A 99 -2.083 -3.192 13.537 1.00 5.00 O ATOM 1592 NE2 GLN A 99 -3.402 -2.584 15.225 1.00 10.00 N ATOM 0 H GLN A 99 -3.003 1.724 11.925 1.00 0.11 H new ATOM 0 HA GLN A 99 -1.691 -0.799 12.718 1.00 4.22 H new ATOM 0 HB2 GLN A 99 -3.962 -0.022 13.616 1.00 55.13 H new ATOM 0 HB3 GLN A 99 -4.594 -0.214 11.993 1.00 55.13 H new ATOM 0 HG2 GLN A 99 -5.120 -2.165 13.378 1.00 62.53 H new ATOM 0 HG3 GLN A 99 -4.089 -2.612 12.033 1.00 62.53 H new ATOM 0 HE21 GLN A 99 -4.269 -2.139 15.526 1.00 10.00 H new ATOM 0 HE22 GLN A 99 -2.758 -2.967 15.917 1.00 10.00 H new ATOM 1601 N GLU A 100 -2.168 -2.164 10.551 1.00 2.03 N ATOM 1602 CA GLU A 100 -2.061 -2.818 9.238 1.00 2.44 C ATOM 1603 C GLU A 100 -3.303 -2.566 8.357 1.00 41.11 C ATOM 1604 O GLU A 100 -4.420 -2.972 8.693 1.00 64.23 O ATOM 1605 CB GLU A 100 -1.843 -4.329 9.414 1.00 73.51 C ATOM 1606 CG GLU A 100 -2.875 -5.005 10.315 1.00 73.03 C ATOM 1607 CD GLU A 100 -2.889 -6.518 10.169 1.00 14.23 C ATOM 1608 OE1 GLU A 100 -3.604 -7.023 9.281 1.00 73.22 O ATOM 1609 OE2 GLU A 100 -2.193 -7.211 10.941 1.00 11.10 O ATOM 0 H GLU A 100 -2.111 -2.805 11.342 1.00 2.03 H new ATOM 0 HA GLU A 100 -1.203 -2.380 8.729 1.00 2.44 H new ATOM 0 HB2 GLU A 100 -1.864 -4.805 8.434 1.00 73.51 H new ATOM 0 HB3 GLU A 100 -0.849 -4.496 9.828 1.00 73.51 H new ATOM 0 HG2 GLU A 100 -2.667 -4.747 11.354 1.00 73.03 H new ATOM 0 HG3 GLU A 100 -3.865 -4.614 10.082 1.00 73.03 H new ATOM 1616 N ILE A 101 -3.094 -1.900 7.223 1.00 31.32 N ATOM 1617 CA ILE A 101 -4.177 -1.595 6.282 1.00 33.34 C ATOM 1618 C ILE A 101 -4.520 -2.813 5.407 1.00 43.43 C ATOM 1619 O ILE A 101 -3.644 -3.405 4.774 1.00 3.30 O ATOM 1620 CB ILE A 101 -3.804 -0.392 5.377 1.00 11.14 C ATOM 1621 CG1 ILE A 101 -3.497 0.848 6.240 1.00 3.33 C ATOM 1622 CG2 ILE A 101 -4.930 -0.097 4.384 1.00 42.33 C ATOM 1623 CD1 ILE A 101 -3.053 2.061 5.445 1.00 10.33 C ATOM 0 H ILE A 101 -2.179 -1.558 6.930 1.00 31.32 H new ATOM 0 HA ILE A 101 -5.054 -1.335 6.875 1.00 33.34 H new ATOM 0 HB ILE A 101 -2.910 -0.647 4.808 1.00 11.14 H new ATOM 0 HG12 ILE A 101 -4.387 1.108 6.813 1.00 3.33 H new ATOM 0 HG13 ILE A 101 -2.718 0.593 6.959 1.00 3.33 H new ATOM 0 HG21 ILE A 101 -4.650 0.750 3.758 1.00 42.33 H new ATOM 0 HG22 ILE A 101 -5.100 -0.972 3.756 1.00 42.33 H new ATOM 0 HG23 ILE A 101 -5.843 0.141 4.930 1.00 42.33 H new ATOM 0 HD11 ILE A 101 -2.857 2.890 6.125 1.00 10.33 H new ATOM 0 HD12 ILE A 101 -2.144 1.822 4.893 1.00 10.33 H new ATOM 0 HD13 ILE A 101 -3.839 2.344 4.745 1.00 10.33 H new ATOM 1635 N ARG A 102 -5.800 -3.177 5.377 1.00 0.01 N ATOM 1636 CA ARG A 102 -6.264 -4.369 4.655 1.00 25.25 C ATOM 1637 C ARG A 102 -7.020 -4.011 3.360 1.00 63.33 C ATOM 1638 O ARG A 102 -7.918 -3.164 3.362 1.00 53.31 O ATOM 1639 CB ARG A 102 -7.182 -5.194 5.567 1.00 53.32 C ATOM 1640 CG ARG A 102 -8.357 -4.394 6.124 1.00 54.41 C ATOM 1641 CD ARG A 102 -9.338 -5.268 6.897 1.00 1.15 C ATOM 1642 NE ARG A 102 -9.931 -6.315 6.061 1.00 71.22 N ATOM 1643 CZ ARG A 102 -11.115 -6.241 5.511 1.00 1.55 C ATOM 1644 NH1 ARG A 102 -11.829 -5.164 5.613 1.00 54.02 N ATOM 1645 NH2 ARG A 102 -11.577 -7.249 4.844 1.00 32.41 N ATOM 0 H ARG A 102 -6.544 -2.661 5.848 1.00 0.01 H new ATOM 0 HA ARG A 102 -5.383 -4.946 4.375 1.00 25.25 H new ATOM 0 HB2 ARG A 102 -7.565 -6.048 5.009 1.00 53.32 H new ATOM 0 HB3 ARG A 102 -6.597 -5.592 6.396 1.00 53.32 H new ATOM 0 HG2 ARG A 102 -7.981 -3.608 6.779 1.00 54.41 H new ATOM 0 HG3 ARG A 102 -8.880 -3.902 5.304 1.00 54.41 H new ATOM 0 HD2 ARG A 102 -8.824 -5.728 7.741 1.00 1.15 H new ATOM 0 HD3 ARG A 102 -10.131 -4.643 7.309 1.00 1.15 H new ATOM 0 HE ARG A 102 -9.383 -7.159 5.897 1.00 71.22 H new ATOM 0 HH11 ARG A 102 -11.469 -4.360 6.127 1.00 54.02 H new ATOM 0 HH12 ARG A 102 -12.751 -5.120 5.179 1.00 54.02 H new ATOM 0 HH21 ARG A 102 -11.018 -8.097 4.749 1.00 32.41 H new ATOM 0 HH22 ARG A 102 -12.500 -7.196 4.413 1.00 32.41 H new ATOM 1659 N LEU A 103 -6.656 -4.672 2.261 1.00 73.41 N ATOM 1660 CA LEU A 103 -7.354 -4.517 0.973 1.00 4.24 C ATOM 1661 C LEU A 103 -7.629 -5.886 0.329 1.00 4.13 C ATOM 1662 O LEU A 103 -6.900 -6.851 0.561 1.00 51.22 O ATOM 1663 CB LEU A 103 -6.527 -3.652 0.007 1.00 44.20 C ATOM 1664 CG LEU A 103 -6.338 -2.183 0.421 1.00 33.44 C ATOM 1665 CD1 LEU A 103 -5.469 -1.450 -0.594 1.00 35.12 C ATOM 1666 CD2 LEU A 103 -7.689 -1.486 0.578 1.00 31.21 C ATOM 0 H LEU A 103 -5.875 -5.327 2.232 1.00 73.41 H new ATOM 0 HA LEU A 103 -8.305 -4.022 1.170 1.00 4.24 H new ATOM 0 HB2 LEU A 103 -5.543 -4.107 -0.107 1.00 44.20 H new ATOM 0 HB3 LEU A 103 -7.005 -3.676 -0.972 1.00 44.20 H new ATOM 0 HG LEU A 103 -5.832 -2.162 1.386 1.00 33.44 H new ATOM 0 HD11 LEU A 103 -5.346 -0.412 -0.285 1.00 35.12 H new ATOM 0 HD12 LEU A 103 -4.492 -1.930 -0.651 1.00 35.12 H new ATOM 0 HD13 LEU A 103 -5.947 -1.483 -1.573 1.00 35.12 H new ATOM 0 HD21 LEU A 103 -7.531 -0.448 0.871 1.00 31.21 H new ATOM 0 HD22 LEU A 103 -8.227 -1.518 -0.369 1.00 31.21 H new ATOM 0 HD23 LEU A 103 -8.274 -1.995 1.344 1.00 31.21 H new ATOM 1678 N THR A 104 -8.687 -5.961 -0.477 1.00 33.33 N ATOM 1679 CA THR A 104 -9.042 -7.198 -1.196 1.00 55.25 C ATOM 1680 C THR A 104 -9.454 -6.907 -2.646 1.00 25.52 C ATOM 1681 O THR A 104 -10.315 -6.066 -2.905 1.00 54.34 O ATOM 1682 CB THR A 104 -10.193 -7.969 -0.501 1.00 24.51 C ATOM 1683 OG1 THR A 104 -11.282 -7.080 -0.206 1.00 53.41 O ATOM 1684 CG2 THR A 104 -9.716 -8.646 0.780 1.00 44.02 C ATOM 0 H THR A 104 -9.319 -5.180 -0.653 1.00 33.33 H new ATOM 0 HA THR A 104 -8.145 -7.817 -1.186 1.00 55.25 H new ATOM 0 HB THR A 104 -10.535 -8.743 -1.188 1.00 24.51 H new ATOM 0 HG1 THR A 104 -11.394 -6.444 -0.943 1.00 53.41 H new ATOM 0 HG21 THR A 104 -10.548 -9.178 1.242 1.00 44.02 H new ATOM 0 HG22 THR A 104 -8.920 -9.352 0.544 1.00 44.02 H new ATOM 0 HG23 THR A 104 -9.338 -7.892 1.471 1.00 44.02 H new ATOM 1692 N ARG A 105 -8.827 -7.605 -3.585 1.00 43.50 N ATOM 1693 CA ARG A 105 -9.120 -7.454 -5.017 1.00 24.23 C ATOM 1694 C ARG A 105 -9.648 -8.768 -5.614 1.00 52.22 C ATOM 1695 O ARG A 105 -9.175 -9.852 -5.267 1.00 63.45 O ATOM 1696 CB ARG A 105 -7.853 -7.001 -5.770 1.00 75.42 C ATOM 1697 CG ARG A 105 -7.901 -5.561 -6.279 1.00 24.03 C ATOM 1698 CD ARG A 105 -8.121 -4.546 -5.160 1.00 72.14 C ATOM 1699 NE ARG A 105 -8.084 -3.182 -5.677 1.00 31.20 N ATOM 1700 CZ ARG A 105 -8.262 -2.101 -4.967 1.00 1.04 C ATOM 1701 NH1 ARG A 105 -8.520 -2.160 -3.696 1.00 42.12 N ATOM 1702 NH2 ARG A 105 -8.189 -0.952 -5.546 1.00 0.30 N ATOM 0 H ARG A 105 -8.101 -8.292 -3.382 1.00 43.50 H new ATOM 0 HA ARG A 105 -9.894 -6.695 -5.129 1.00 24.23 H new ATOM 0 HB2 ARG A 105 -6.993 -7.111 -5.109 1.00 75.42 H new ATOM 0 HB3 ARG A 105 -7.691 -7.668 -6.617 1.00 75.42 H new ATOM 0 HG2 ARG A 105 -6.968 -5.331 -6.794 1.00 24.03 H new ATOM 0 HG3 ARG A 105 -8.702 -5.466 -7.012 1.00 24.03 H new ATOM 0 HD2 ARG A 105 -9.082 -4.731 -4.680 1.00 72.14 H new ATOM 0 HD3 ARG A 105 -7.354 -4.670 -4.396 1.00 72.14 H new ATOM 0 HE ARG A 105 -7.904 -3.063 -6.674 1.00 31.20 H new ATOM 0 HH11 ARG A 105 -8.588 -3.065 -3.231 1.00 42.12 H new ATOM 0 HH12 ARG A 105 -8.655 -1.301 -3.163 1.00 42.12 H new ATOM 0 HH21 ARG A 105 -7.994 -0.896 -6.546 1.00 0.30 H new ATOM 0 HH22 ARG A 105 -8.326 -0.098 -5.005 1.00 0.30 H new ATOM 1716 N ILE A 106 -10.625 -8.671 -6.511 1.00 64.22 N ATOM 1717 CA ILE A 106 -11.208 -9.862 -7.143 1.00 70.43 C ATOM 1718 C ILE A 106 -10.630 -10.094 -8.551 1.00 42.41 C ATOM 1719 O ILE A 106 -10.722 -9.228 -9.425 1.00 33.22 O ATOM 1720 CB ILE A 106 -12.750 -9.756 -7.233 1.00 24.53 C ATOM 1721 CG1 ILE A 106 -13.348 -9.389 -5.861 1.00 65.44 C ATOM 1722 CG2 ILE A 106 -13.349 -11.064 -7.748 1.00 44.10 C ATOM 1723 CD1 ILE A 106 -13.027 -10.379 -4.756 1.00 52.42 C ATOM 0 H ILE A 106 -11.031 -7.788 -6.819 1.00 64.22 H new ATOM 0 HA ILE A 106 -10.947 -10.711 -6.511 1.00 70.43 H new ATOM 0 HB ILE A 106 -12.999 -8.964 -7.939 1.00 24.53 H new ATOM 0 HG12 ILE A 106 -12.981 -8.405 -5.569 1.00 65.44 H new ATOM 0 HG13 ILE A 106 -14.431 -9.310 -5.959 1.00 65.44 H new ATOM 0 HG21 ILE A 106 -14.433 -10.970 -7.804 1.00 44.10 H new ATOM 0 HG22 ILE A 106 -12.951 -11.281 -8.740 1.00 44.10 H new ATOM 0 HG23 ILE A 106 -13.090 -11.875 -7.068 1.00 44.10 H new ATOM 0 HD11 ILE A 106 -13.485 -10.046 -3.825 1.00 52.42 H new ATOM 0 HD12 ILE A 106 -13.418 -11.361 -5.022 1.00 52.42 H new ATOM 0 HD13 ILE A 106 -11.947 -10.442 -4.626 1.00 52.42 H new ATOM 1735 N LEU A 107 -10.046 -11.272 -8.758 1.00 64.03 N ATOM 1736 CA LEU A 107 -9.391 -11.618 -10.029 1.00 72.40 C ATOM 1737 C LEU A 107 -10.123 -12.795 -10.721 1.00 65.04 C ATOM 1738 O LEU A 107 -10.088 -13.924 -10.238 1.00 40.11 O ATOM 1739 CB LEU A 107 -7.911 -11.957 -9.735 1.00 63.32 C ATOM 1740 CG LEU A 107 -6.970 -12.158 -10.944 1.00 3.24 C ATOM 1741 CD1 LEU A 107 -7.153 -13.536 -11.572 1.00 70.23 C ATOM 1742 CD2 LEU A 107 -7.173 -11.055 -11.983 1.00 42.42 C ATOM 0 H LEU A 107 -10.010 -12.013 -8.058 1.00 64.03 H new ATOM 0 HA LEU A 107 -9.436 -10.774 -10.718 1.00 72.40 H new ATOM 0 HB2 LEU A 107 -7.499 -11.158 -9.118 1.00 63.32 H new ATOM 0 HB3 LEU A 107 -7.887 -12.867 -9.136 1.00 63.32 H new ATOM 0 HG LEU A 107 -5.946 -12.096 -10.577 1.00 3.24 H new ATOM 0 HD11 LEU A 107 -6.476 -13.643 -12.419 1.00 70.23 H new ATOM 0 HD12 LEU A 107 -6.932 -14.305 -10.832 1.00 70.23 H new ATOM 0 HD13 LEU A 107 -8.182 -13.646 -11.914 1.00 70.23 H new ATOM 0 HD21 LEU A 107 -6.499 -11.219 -12.824 1.00 42.42 H new ATOM 0 HD22 LEU A 107 -8.204 -11.072 -12.335 1.00 42.42 H new ATOM 0 HD23 LEU A 107 -6.960 -10.086 -11.531 1.00 42.42 H new ATOM 1754 N PRO A 108 -10.808 -12.544 -11.859 1.00 72.23 N ATOM 1755 CA PRO A 108 -11.560 -13.593 -12.589 1.00 32.31 C ATOM 1756 C PRO A 108 -10.658 -14.668 -13.234 1.00 14.54 C ATOM 1757 O PRO A 108 -9.532 -14.389 -13.653 1.00 2.00 O ATOM 1758 CB PRO A 108 -12.315 -12.798 -13.667 1.00 12.13 C ATOM 1759 CG PRO A 108 -11.504 -11.563 -13.866 1.00 41.15 C ATOM 1760 CD PRO A 108 -10.923 -11.229 -12.518 1.00 64.31 C ATOM 0 HA PRO A 108 -12.204 -14.160 -11.917 1.00 32.31 H new ATOM 0 HB2 PRO A 108 -12.401 -13.368 -14.592 1.00 12.13 H new ATOM 0 HB3 PRO A 108 -13.328 -12.558 -13.345 1.00 12.13 H new ATOM 0 HG2 PRO A 108 -10.716 -11.727 -14.601 1.00 41.15 H new ATOM 0 HG3 PRO A 108 -12.122 -10.746 -14.238 1.00 41.15 H new ATOM 0 HD2 PRO A 108 -9.954 -10.739 -12.609 1.00 64.31 H new ATOM 0 HD3 PRO A 108 -11.570 -10.554 -11.958 1.00 64.31 H new ATOM 1768 N PHE A 109 -11.168 -15.899 -13.321 1.00 5.35 N ATOM 1769 CA PHE A 109 -10.400 -17.025 -13.875 1.00 23.54 C ATOM 1770 C PHE A 109 -10.662 -17.239 -15.378 1.00 65.54 C ATOM 1771 O PHE A 109 -11.766 -17.605 -15.784 1.00 62.32 O ATOM 1772 CB PHE A 109 -10.724 -18.315 -13.108 1.00 3.14 C ATOM 1773 CG PHE A 109 -10.052 -19.547 -13.669 1.00 10.44 C ATOM 1774 CD1 PHE A 109 -8.734 -19.847 -13.346 1.00 44.21 C ATOM 1775 CD2 PHE A 109 -10.739 -20.407 -14.518 1.00 72.33 C ATOM 1776 CE1 PHE A 109 -8.119 -20.973 -13.860 1.00 53.23 C ATOM 1777 CE2 PHE A 109 -10.126 -21.534 -15.033 1.00 54.31 C ATOM 1778 CZ PHE A 109 -8.815 -21.816 -14.703 1.00 24.31 C ATOM 0 H PHE A 109 -12.110 -16.145 -13.016 1.00 5.35 H new ATOM 0 HA PHE A 109 -9.345 -16.775 -13.759 1.00 23.54 H new ATOM 0 HB2 PHE A 109 -10.425 -18.192 -12.067 1.00 3.14 H new ATOM 0 HB3 PHE A 109 -11.803 -18.468 -13.113 1.00 3.14 H new ATOM 0 HD1 PHE A 109 -8.184 -19.193 -12.686 1.00 44.21 H new ATOM 0 HD2 PHE A 109 -11.765 -20.192 -14.779 1.00 72.33 H new ATOM 0 HE1 PHE A 109 -7.094 -21.193 -13.602 1.00 53.23 H new ATOM 0 HE2 PHE A 109 -10.671 -22.193 -15.692 1.00 54.31 H new ATOM 0 HZ PHE A 109 -8.334 -22.696 -15.104 1.00 24.31 H new ATOM 1788 N LEU A 110 -9.632 -17.008 -16.194 1.00 53.31 N ATOM 1789 CA LEU A 110 -9.657 -17.368 -17.621 1.00 33.25 C ATOM 1790 C LEU A 110 -8.505 -18.337 -17.943 1.00 32.11 C ATOM 1791 O LEU A 110 -7.340 -18.045 -17.660 1.00 13.33 O ATOM 1792 CB LEU A 110 -9.552 -16.121 -18.525 1.00 62.41 C ATOM 1793 CG LEU A 110 -10.744 -15.143 -18.480 1.00 65.50 C ATOM 1794 CD1 LEU A 110 -10.737 -14.309 -17.198 1.00 2.32 C ATOM 1795 CD2 LEU A 110 -10.742 -14.236 -19.713 1.00 4.21 C ATOM 0 H LEU A 110 -8.762 -16.570 -15.892 1.00 53.31 H new ATOM 0 HA LEU A 110 -10.612 -17.853 -17.821 1.00 33.25 H new ATOM 0 HB2 LEU A 110 -8.650 -15.574 -18.250 1.00 62.41 H new ATOM 0 HB3 LEU A 110 -9.422 -16.455 -19.554 1.00 62.41 H new ATOM 0 HG LEU A 110 -11.659 -15.735 -18.484 1.00 65.50 H new ATOM 0 HD11 LEU A 110 -11.591 -13.631 -17.200 1.00 2.32 H new ATOM 0 HD12 LEU A 110 -10.801 -14.970 -16.334 1.00 2.32 H new ATOM 0 HD13 LEU A 110 -9.815 -13.731 -17.145 1.00 2.32 H new ATOM 0 HD21 LEU A 110 -11.590 -13.553 -19.664 1.00 4.21 H new ATOM 0 HD22 LEU A 110 -9.815 -13.663 -19.741 1.00 4.21 H new ATOM 0 HD23 LEU A 110 -10.819 -14.846 -20.613 1.00 4.21 H new ATOM 1807 N ASP A 111 -8.830 -19.487 -18.531 1.00 14.24 N ATOM 1808 CA ASP A 111 -7.831 -20.517 -18.846 1.00 1.21 C ATOM 1809 C ASP A 111 -7.255 -20.326 -20.265 1.00 23.23 C ATOM 1810 O ASP A 111 -7.946 -19.846 -21.165 1.00 25.44 O ATOM 1811 CB ASP A 111 -8.470 -21.905 -18.708 1.00 40.01 C ATOM 1812 CG ASP A 111 -7.479 -23.037 -18.924 1.00 51.54 C ATOM 1813 OD1 ASP A 111 -6.790 -23.431 -17.958 1.00 35.55 O ATOM 1814 OD2 ASP A 111 -7.386 -23.546 -20.059 1.00 50.40 O ATOM 0 H ASP A 111 -9.782 -19.733 -18.802 1.00 14.24 H new ATOM 0 HA ASP A 111 -7.004 -20.426 -18.142 1.00 1.21 H new ATOM 0 HB2 ASP A 111 -8.911 -21.999 -17.716 1.00 40.01 H new ATOM 0 HB3 ASP A 111 -9.283 -21.998 -19.428 1.00 40.01 H new ATOM 1819 N ALA A 112 -5.980 -20.696 -20.445 1.00 25.55 N ATOM 1820 CA ALA A 112 -5.304 -20.604 -21.749 1.00 61.22 C ATOM 1821 C ALA A 112 -5.221 -19.156 -22.258 1.00 4.03 C ATOM 1822 O ALA A 112 -5.234 -18.904 -23.467 1.00 41.01 O ATOM 1823 CB ALA A 112 -6.002 -21.497 -22.772 1.00 12.04 C ATOM 0 H ALA A 112 -5.391 -21.065 -19.698 1.00 25.55 H new ATOM 0 HA ALA A 112 -4.281 -20.954 -21.612 1.00 61.22 H new ATOM 0 HB1 ALA A 112 -5.491 -21.419 -23.732 1.00 12.04 H new ATOM 0 HB2 ALA A 112 -5.975 -22.532 -22.430 1.00 12.04 H new ATOM 0 HB3 ALA A 112 -7.038 -21.179 -22.886 1.00 12.04 H new ATOM 1829 N GLN A 113 -5.105 -18.207 -21.330 1.00 44.32 N ATOM 1830 CA GLN A 113 -5.072 -16.781 -21.680 1.00 62.32 C ATOM 1831 C GLN A 113 -3.881 -16.046 -21.046 1.00 61.23 C ATOM 1832 O GLN A 113 -3.958 -15.594 -19.901 1.00 14.32 O ATOM 1833 CB GLN A 113 -6.381 -16.098 -21.245 1.00 34.45 C ATOM 1834 CG GLN A 113 -7.597 -16.472 -22.089 1.00 63.11 C ATOM 1835 CD GLN A 113 -7.556 -15.874 -23.488 1.00 1.42 C ATOM 1836 OE1 GLN A 113 -6.491 -15.655 -24.063 1.00 74.01 O ATOM 1837 NE2 GLN A 113 -8.714 -15.594 -24.045 1.00 43.42 N ATOM 0 H GLN A 113 -5.032 -18.396 -20.330 1.00 44.32 H new ATOM 0 HA GLN A 113 -4.959 -16.724 -22.763 1.00 62.32 H new ATOM 0 HB2 GLN A 113 -6.583 -16.355 -20.205 1.00 34.45 H new ATOM 0 HB3 GLN A 113 -6.244 -15.017 -21.286 1.00 34.45 H new ATOM 0 HG2 GLN A 113 -7.659 -17.558 -22.165 1.00 63.11 H new ATOM 0 HG3 GLN A 113 -8.502 -16.136 -21.582 1.00 63.11 H new ATOM 0 HE21 GLN A 113 -9.581 -15.787 -23.544 1.00 43.42 H new ATOM 0 HE22 GLN A 113 -8.745 -15.184 -24.978 1.00 43.42 H new ATOM 1846 N GLU A 114 -2.774 -15.935 -21.780 1.00 12.33 N ATOM 1847 CA GLU A 114 -1.660 -15.082 -21.346 1.00 12.10 C ATOM 1848 C GLU A 114 -1.959 -13.610 -21.665 1.00 1.50 C ATOM 1849 O GLU A 114 -1.580 -12.713 -20.917 1.00 14.30 O ATOM 1850 CB GLU A 114 -0.333 -15.492 -22.007 1.00 15.31 C ATOM 1851 CG GLU A 114 -0.266 -15.212 -23.508 1.00 10.34 C ATOM 1852 CD GLU A 114 1.139 -15.363 -24.071 1.00 52.31 C ATOM 1853 OE1 GLU A 114 1.941 -14.411 -23.942 1.00 64.30 O ATOM 1854 OE2 GLU A 114 1.448 -16.428 -24.649 1.00 24.14 O ATOM 0 H GLU A 114 -2.622 -16.416 -22.666 1.00 12.33 H new ATOM 0 HA GLU A 114 -1.555 -15.210 -20.269 1.00 12.10 H new ATOM 0 HB2 GLU A 114 0.483 -14.964 -21.514 1.00 15.31 H new ATOM 0 HB3 GLU A 114 -0.171 -16.557 -21.840 1.00 15.31 H new ATOM 0 HG2 GLU A 114 -0.938 -15.893 -24.031 1.00 10.34 H new ATOM 0 HG3 GLU A 114 -0.624 -14.201 -23.701 1.00 10.34 H new ATOM 1861 N LEU A 115 -2.655 -13.374 -22.779 1.00 72.04 N ATOM 1862 CA LEU A 115 -2.996 -12.011 -23.206 1.00 31.23 C ATOM 1863 C LEU A 115 -3.869 -11.313 -22.155 1.00 42.11 C ATOM 1864 O LEU A 115 -3.615 -10.168 -21.774 1.00 74.12 O ATOM 1865 CB LEU A 115 -3.730 -12.019 -24.565 1.00 42.31 C ATOM 1866 CG LEU A 115 -2.920 -12.518 -25.784 1.00 34.14 C ATOM 1867 CD1 LEU A 115 -1.537 -11.874 -25.824 1.00 2.24 C ATOM 1868 CD2 LEU A 115 -2.818 -14.042 -25.803 1.00 10.13 C ATOM 0 H LEU A 115 -2.994 -14.106 -23.403 1.00 72.04 H new ATOM 0 HA LEU A 115 -2.062 -11.461 -23.316 1.00 31.23 H new ATOM 0 HB2 LEU A 115 -4.620 -12.642 -24.469 1.00 42.31 H new ATOM 0 HB3 LEU A 115 -4.072 -11.005 -24.774 1.00 42.31 H new ATOM 0 HG LEU A 115 -3.458 -12.215 -26.682 1.00 34.14 H new ATOM 0 HD11 LEU A 115 -0.989 -12.243 -26.691 1.00 2.24 H new ATOM 0 HD12 LEU A 115 -1.642 -10.791 -25.894 1.00 2.24 H new ATOM 0 HD13 LEU A 115 -0.991 -12.127 -24.915 1.00 2.24 H new ATOM 0 HD21 LEU A 115 -2.242 -14.357 -26.673 1.00 10.13 H new ATOM 0 HD22 LEU A 115 -2.321 -14.385 -24.895 1.00 10.13 H new ATOM 0 HD23 LEU A 115 -3.818 -14.473 -25.854 1.00 10.13 H new ATOM 1880 N ALA A 116 -4.898 -12.016 -21.692 1.00 53.03 N ATOM 1881 CA ALA A 116 -5.808 -11.482 -20.678 1.00 73.11 C ATOM 1882 C ALA A 116 -5.208 -11.567 -19.262 1.00 60.04 C ATOM 1883 O ALA A 116 -4.871 -10.549 -18.662 1.00 72.51 O ATOM 1884 CB ALA A 116 -7.140 -12.220 -20.735 1.00 21.31 C ATOM 0 H ALA A 116 -5.125 -12.961 -22.003 1.00 53.03 H new ATOM 0 HA ALA A 116 -5.968 -10.427 -20.899 1.00 73.11 H new ATOM 0 HB1 ALA A 116 -7.812 -11.817 -19.977 1.00 21.31 H new ATOM 0 HB2 ALA A 116 -7.586 -12.091 -21.721 1.00 21.31 H new ATOM 0 HB3 ALA A 116 -6.976 -13.281 -20.547 1.00 21.31 H new ATOM 1890 N LYS A 117 -5.042 -12.788 -18.752 1.00 42.45 N ATOM 1891 CA LYS A 117 -4.672 -13.005 -17.343 1.00 2.30 C ATOM 1892 C LYS A 117 -3.362 -12.313 -16.928 1.00 73.32 C ATOM 1893 O LYS A 117 -3.274 -11.777 -15.823 1.00 20.24 O ATOM 1894 CB LYS A 117 -4.588 -14.504 -17.025 1.00 30.25 C ATOM 1895 CG LYS A 117 -5.925 -15.240 -17.132 1.00 24.42 C ATOM 1896 CD LYS A 117 -7.024 -14.565 -16.306 1.00 21.12 C ATOM 1897 CE LYS A 117 -6.621 -14.379 -14.845 1.00 64.43 C ATOM 1898 NZ LYS A 117 -6.367 -15.671 -14.155 1.00 22.32 N ATOM 0 H LYS A 117 -5.157 -13.647 -19.291 1.00 42.45 H new ATOM 0 HA LYS A 117 -5.469 -12.543 -16.760 1.00 2.30 H new ATOM 0 HB2 LYS A 117 -3.874 -14.969 -17.704 1.00 30.25 H new ATOM 0 HB3 LYS A 117 -4.196 -14.629 -16.016 1.00 30.25 H new ATOM 0 HG2 LYS A 117 -6.232 -15.282 -18.177 1.00 24.42 H new ATOM 0 HG3 LYS A 117 -5.800 -16.269 -16.795 1.00 24.42 H new ATOM 0 HD2 LYS A 117 -7.258 -13.594 -16.742 1.00 21.12 H new ATOM 0 HD3 LYS A 117 -7.933 -15.165 -16.356 1.00 21.12 H new ATOM 0 HE2 LYS A 117 -5.724 -13.762 -14.795 1.00 64.43 H new ATOM 0 HE3 LYS A 117 -7.409 -13.839 -14.320 1.00 64.43 H new ATOM 0 HZ1 LYS A 117 -6.797 -15.649 -13.208 1.00 22.32 H new ATOM 0 HZ2 LYS A 117 -6.785 -16.447 -14.707 1.00 22.32 H new ATOM 0 HZ3 LYS A 117 -5.342 -15.822 -14.067 1.00 22.32 H new ATOM 1912 N ALA A 118 -2.346 -12.328 -17.790 1.00 21.44 N ATOM 1913 CA ALA A 118 -1.065 -11.683 -17.459 1.00 24.34 C ATOM 1914 C ALA A 118 -1.245 -10.176 -17.236 1.00 5.43 C ATOM 1915 O ALA A 118 -0.646 -9.593 -16.330 1.00 55.23 O ATOM 1916 CB ALA A 118 -0.030 -11.940 -18.548 1.00 22.44 C ATOM 0 H ALA A 118 -2.377 -12.770 -18.709 1.00 21.44 H new ATOM 0 HA ALA A 118 -0.704 -12.123 -16.529 1.00 24.34 H new ATOM 0 HB1 ALA A 118 0.908 -11.453 -18.281 1.00 22.44 H new ATOM 0 HB2 ALA A 118 0.134 -13.013 -18.649 1.00 22.44 H new ATOM 0 HB3 ALA A 118 -0.390 -11.538 -19.495 1.00 22.44 H new ATOM 1922 N ALA A 119 -2.087 -9.555 -18.060 1.00 63.01 N ATOM 1923 CA ALA A 119 -2.398 -8.130 -17.924 1.00 22.13 C ATOM 1924 C ALA A 119 -3.359 -7.878 -16.751 1.00 25.52 C ATOM 1925 O ALA A 119 -3.209 -6.906 -16.010 1.00 52.22 O ATOM 1926 CB ALA A 119 -2.990 -7.596 -19.224 1.00 13.05 C ATOM 0 H ALA A 119 -2.568 -10.017 -18.832 1.00 63.01 H new ATOM 0 HA ALA A 119 -1.470 -7.599 -17.713 1.00 22.13 H new ATOM 0 HB1 ALA A 119 -3.217 -6.536 -19.112 1.00 13.05 H new ATOM 0 HB2 ALA A 119 -2.272 -7.729 -20.033 1.00 13.05 H new ATOM 0 HB3 ALA A 119 -3.905 -8.141 -19.458 1.00 13.05 H new ATOM 1932 N GLU A 120 -4.340 -8.767 -16.587 1.00 51.24 N ATOM 1933 CA GLU A 120 -5.324 -8.656 -15.503 1.00 12.42 C ATOM 1934 C GLU A 120 -4.660 -8.748 -14.125 1.00 3.11 C ATOM 1935 O GLU A 120 -4.780 -7.834 -13.312 1.00 31.10 O ATOM 1936 CB GLU A 120 -6.405 -9.739 -15.627 1.00 3.10 C ATOM 1937 CG GLU A 120 -7.304 -9.578 -16.847 1.00 50.21 C ATOM 1938 CD GLU A 120 -8.438 -10.591 -16.872 1.00 31.42 C ATOM 1939 OE1 GLU A 120 -9.487 -10.329 -16.243 1.00 33.44 O ATOM 1940 OE2 GLU A 120 -8.290 -11.646 -17.523 1.00 45.24 O ATOM 0 H GLU A 120 -4.476 -9.576 -17.193 1.00 51.24 H new ATOM 0 HA GLU A 120 -5.790 -7.675 -15.596 1.00 12.42 H new ATOM 0 HB2 GLU A 120 -5.923 -10.716 -15.669 1.00 3.10 H new ATOM 0 HB3 GLU A 120 -7.022 -9.727 -14.729 1.00 3.10 H new ATOM 0 HG2 GLU A 120 -7.721 -8.571 -16.857 1.00 50.21 H new ATOM 0 HG3 GLU A 120 -6.706 -9.685 -17.752 1.00 50.21 H new ATOM 1947 N GLU A 121 -3.950 -9.843 -13.864 1.00 24.12 N ATOM 1948 CA GLU A 121 -3.293 -10.032 -12.567 1.00 24.24 C ATOM 1949 C GLU A 121 -2.267 -8.914 -12.304 1.00 61.11 C ATOM 1950 O GLU A 121 -2.031 -8.531 -11.157 1.00 63.41 O ATOM 1951 CB GLU A 121 -2.628 -11.418 -12.491 1.00 22.32 C ATOM 1952 CG GLU A 121 -2.154 -11.798 -11.086 1.00 72.51 C ATOM 1953 CD GLU A 121 -1.606 -13.218 -11.003 1.00 5.53 C ATOM 1954 OE1 GLU A 121 -2.406 -14.180 -11.047 1.00 44.54 O ATOM 1955 OE2 GLU A 121 -0.374 -13.385 -10.884 1.00 23.31 O ATOM 0 H GLU A 121 -3.814 -10.608 -14.525 1.00 24.12 H new ATOM 0 HA GLU A 121 -4.054 -9.979 -11.789 1.00 24.24 H new ATOM 0 HB2 GLU A 121 -3.335 -12.170 -12.842 1.00 22.32 H new ATOM 0 HB3 GLU A 121 -1.776 -11.440 -13.170 1.00 22.32 H new ATOM 0 HG2 GLU A 121 -1.382 -11.098 -10.768 1.00 72.51 H new ATOM 0 HG3 GLU A 121 -2.985 -11.694 -10.388 1.00 72.51 H new ATOM 1962 N GLU A 122 -1.675 -8.380 -13.379 1.00 63.14 N ATOM 1963 CA GLU A 122 -0.748 -7.245 -13.269 1.00 30.41 C ATOM 1964 C GLU A 122 -1.483 -5.965 -12.831 1.00 43.10 C ATOM 1965 O GLU A 122 -1.121 -5.344 -11.829 1.00 13.41 O ATOM 1966 CB GLU A 122 -0.035 -6.992 -14.609 1.00 61.55 C ATOM 1967 CG GLU A 122 1.047 -5.913 -14.539 1.00 3.15 C ATOM 1968 CD GLU A 122 1.696 -5.626 -15.887 1.00 64.03 C ATOM 1969 OE1 GLU A 122 2.257 -6.565 -16.497 1.00 72.31 O ATOM 1970 OE2 GLU A 122 1.659 -4.459 -16.341 1.00 34.43 O ATOM 0 H GLU A 122 -1.820 -8.713 -14.332 1.00 63.14 H new ATOM 0 HA GLU A 122 -0.008 -7.501 -12.511 1.00 30.41 H new ATOM 0 HB2 GLU A 122 0.416 -7.923 -14.952 1.00 61.55 H new ATOM 0 HB3 GLU A 122 -0.775 -6.703 -15.355 1.00 61.55 H new ATOM 0 HG2 GLU A 122 0.609 -4.993 -14.151 1.00 3.15 H new ATOM 0 HG3 GLU A 122 1.816 -6.224 -13.832 1.00 3.15 H new ATOM 1977 N MET A 123 -2.522 -5.575 -13.581 1.00 63.50 N ATOM 1978 CA MET A 123 -3.276 -4.351 -13.272 1.00 3.12 C ATOM 1979 C MET A 123 -3.956 -4.442 -11.897 1.00 43.12 C ATOM 1980 O MET A 123 -3.969 -3.474 -11.150 1.00 50.41 O ATOM 1981 CB MET A 123 -4.319 -4.034 -14.361 1.00 5.52 C ATOM 1982 CG MET A 123 -5.403 -5.091 -14.527 1.00 40.24 C ATOM 1983 SD MET A 123 -6.768 -4.530 -15.566 1.00 54.04 S ATOM 1984 CE MET A 123 -7.421 -3.191 -14.571 1.00 44.32 C ATOM 0 H MET A 123 -2.858 -6.083 -14.399 1.00 63.50 H new ATOM 0 HA MET A 123 -2.554 -3.535 -13.246 1.00 3.12 H new ATOM 0 HB2 MET A 123 -4.792 -3.081 -14.126 1.00 5.52 H new ATOM 0 HB3 MET A 123 -3.804 -3.908 -15.313 1.00 5.52 H new ATOM 0 HG2 MET A 123 -4.965 -5.989 -14.963 1.00 40.24 H new ATOM 0 HG3 MET A 123 -5.788 -5.368 -13.546 1.00 40.24 H new ATOM 0 HE1 MET A 123 -8.467 -3.025 -14.827 1.00 44.32 H new ATOM 0 HE2 MET A 123 -7.342 -3.450 -13.515 1.00 44.32 H new ATOM 0 HE3 MET A 123 -6.851 -2.282 -14.765 1.00 44.32 H new ATOM 1994 N LEU A 124 -4.509 -5.610 -11.567 1.00 22.50 N ATOM 1995 CA LEU A 124 -5.108 -5.830 -10.243 1.00 64.11 C ATOM 1996 C LEU A 124 -4.053 -5.699 -9.132 1.00 41.11 C ATOM 1997 O LEU A 124 -4.317 -5.124 -8.072 1.00 62.34 O ATOM 1998 CB LEU A 124 -5.795 -7.208 -10.168 1.00 72.11 C ATOM 1999 CG LEU A 124 -7.264 -7.261 -10.642 1.00 23.32 C ATOM 2000 CD1 LEU A 124 -8.144 -6.367 -9.774 1.00 72.13 C ATOM 2001 CD2 LEU A 124 -7.389 -6.866 -12.112 1.00 45.41 C ATOM 0 H LEU A 124 -4.556 -6.415 -12.191 1.00 22.50 H new ATOM 0 HA LEU A 124 -5.865 -5.060 -10.092 1.00 64.11 H new ATOM 0 HB2 LEU A 124 -5.216 -7.913 -10.765 1.00 72.11 H new ATOM 0 HB3 LEU A 124 -5.755 -7.556 -9.136 1.00 72.11 H new ATOM 0 HG LEU A 124 -7.607 -8.291 -10.541 1.00 23.32 H new ATOM 0 HD11 LEU A 124 -9.174 -6.419 -10.125 1.00 72.13 H new ATOM 0 HD12 LEU A 124 -8.096 -6.704 -8.739 1.00 72.13 H new ATOM 0 HD13 LEU A 124 -7.791 -5.338 -9.837 1.00 72.13 H new ATOM 0 HD21 LEU A 124 -8.435 -6.914 -12.414 1.00 45.41 H new ATOM 0 HD22 LEU A 124 -7.018 -5.850 -12.249 1.00 45.41 H new ATOM 0 HD23 LEU A 124 -6.803 -7.552 -12.724 1.00 45.41 H new ATOM 2013 N TYR A 125 -2.856 -6.231 -9.387 1.00 4.04 N ATOM 2014 CA TYR A 125 -1.735 -6.108 -8.448 1.00 21.43 C ATOM 2015 C TYR A 125 -1.363 -4.637 -8.217 1.00 33.41 C ATOM 2016 O TYR A 125 -1.358 -4.163 -7.082 1.00 54.04 O ATOM 2017 CB TYR A 125 -0.513 -6.882 -8.968 1.00 43.21 C ATOM 2018 CG TYR A 125 0.734 -6.728 -8.109 1.00 31.51 C ATOM 2019 CD1 TYR A 125 0.811 -7.313 -6.849 1.00 33.52 C ATOM 2020 CD2 TYR A 125 1.830 -5.993 -8.554 1.00 11.52 C ATOM 2021 CE1 TYR A 125 1.942 -7.173 -6.063 1.00 4.01 C ATOM 2022 CE2 TYR A 125 2.963 -5.849 -7.773 1.00 4.30 C ATOM 2023 CZ TYR A 125 3.014 -6.442 -6.528 1.00 21.15 C ATOM 2024 OH TYR A 125 4.140 -6.302 -5.746 1.00 22.32 O ATOM 0 H TYR A 125 -2.636 -6.752 -10.236 1.00 4.04 H new ATOM 0 HA TYR A 125 -2.050 -6.535 -7.496 1.00 21.43 H new ATOM 0 HB2 TYR A 125 -0.768 -7.940 -9.033 1.00 43.21 H new ATOM 0 HB3 TYR A 125 -0.287 -6.546 -9.980 1.00 43.21 H new ATOM 0 HD1 TYR A 125 -0.026 -7.886 -6.478 1.00 33.52 H new ATOM 0 HD2 TYR A 125 1.795 -5.526 -9.527 1.00 11.52 H new ATOM 0 HE1 TYR A 125 1.984 -7.635 -5.088 1.00 4.01 H new ATOM 0 HE2 TYR A 125 3.803 -5.275 -8.136 1.00 4.30 H new ATOM 0 HH TYR A 125 4.803 -5.758 -6.221 1.00 22.32 H new ATOM 2034 N LYS A 126 -1.064 -3.916 -9.297 1.00 70.42 N ATOM 2035 CA LYS A 126 -0.648 -2.511 -9.194 1.00 35.33 C ATOM 2036 C LYS A 126 -1.818 -1.583 -8.810 1.00 23.22 C ATOM 2037 O LYS A 126 -1.601 -0.491 -8.290 1.00 63.24 O ATOM 2038 CB LYS A 126 0.011 -2.039 -10.501 1.00 11.14 C ATOM 2039 CG LYS A 126 -0.894 -2.116 -11.725 1.00 35.34 C ATOM 2040 CD LYS A 126 -0.129 -1.815 -13.013 1.00 21.21 C ATOM 2041 CE LYS A 126 0.357 -0.368 -13.074 1.00 72.32 C ATOM 2042 NZ LYS A 126 -0.763 0.598 -13.251 1.00 25.43 N ATOM 0 H LYS A 126 -1.101 -4.276 -10.251 1.00 70.42 H new ATOM 0 HA LYS A 126 0.087 -2.454 -8.391 1.00 35.33 H new ATOM 0 HB2 LYS A 126 0.344 -1.009 -10.375 1.00 11.14 H new ATOM 0 HB3 LYS A 126 0.901 -2.642 -10.683 1.00 11.14 H new ATOM 0 HG2 LYS A 126 -1.337 -3.110 -11.788 1.00 35.34 H new ATOM 0 HG3 LYS A 126 -1.715 -1.408 -11.616 1.00 35.34 H new ATOM 0 HD2 LYS A 126 0.726 -2.487 -13.091 1.00 21.21 H new ATOM 0 HD3 LYS A 126 -0.771 -2.017 -13.870 1.00 21.21 H new ATOM 0 HE2 LYS A 126 0.898 -0.130 -12.158 1.00 72.32 H new ATOM 0 HE3 LYS A 126 1.062 -0.258 -13.898 1.00 72.32 H new ATOM 0 HZ1 LYS A 126 -0.379 1.557 -13.372 1.00 25.43 H new ATOM 0 HZ2 LYS A 126 -1.316 0.338 -14.093 1.00 25.43 H new ATOM 0 HZ3 LYS A 126 -1.378 0.574 -12.412 1.00 25.43 H new ATOM 2056 N ASP A 127 -3.054 -2.014 -9.064 1.00 12.51 N ATOM 2057 CA ASP A 127 -4.236 -1.265 -8.611 1.00 23.01 C ATOM 2058 C ASP A 127 -4.352 -1.330 -7.086 1.00 2.35 C ATOM 2059 O ASP A 127 -4.536 -0.314 -6.420 1.00 61.40 O ATOM 2060 CB ASP A 127 -5.515 -1.817 -9.258 1.00 3.11 C ATOM 2061 CG ASP A 127 -6.772 -1.129 -8.745 1.00 54.40 C ATOM 2062 OD1 ASP A 127 -6.901 0.099 -8.930 1.00 72.53 O ATOM 2063 OD2 ASP A 127 -7.644 -1.810 -8.161 1.00 31.11 O ATOM 0 H ASP A 127 -3.266 -2.870 -9.576 1.00 12.51 H new ATOM 0 HA ASP A 127 -4.116 -0.225 -8.916 1.00 23.01 H new ATOM 0 HB2 ASP A 127 -5.453 -1.694 -10.339 1.00 3.11 H new ATOM 0 HB3 ASP A 127 -5.585 -2.887 -9.062 1.00 3.11 H new ATOM 2068 N MET A 128 -4.229 -2.538 -6.546 1.00 33.03 N ATOM 2069 CA MET A 128 -4.287 -2.761 -5.100 1.00 24.42 C ATOM 2070 C MET A 128 -3.026 -2.218 -4.401 1.00 74.45 C ATOM 2071 O MET A 128 -3.091 -1.694 -3.289 1.00 13.43 O ATOM 2072 CB MET A 128 -4.454 -4.261 -4.831 1.00 23.31 C ATOM 2073 CG MET A 128 -4.602 -4.626 -3.363 1.00 45.31 C ATOM 2074 SD MET A 128 -5.040 -6.358 -3.132 1.00 75.13 S ATOM 2075 CE MET A 128 -3.695 -7.180 -3.987 1.00 61.45 C ATOM 0 H MET A 128 -4.087 -3.388 -7.092 1.00 33.03 H new ATOM 0 HA MET A 128 -5.141 -2.221 -4.691 1.00 24.42 H new ATOM 0 HB2 MET A 128 -5.331 -4.619 -5.371 1.00 23.31 H new ATOM 0 HB3 MET A 128 -3.591 -4.788 -5.238 1.00 23.31 H new ATOM 0 HG2 MET A 128 -3.667 -4.417 -2.843 1.00 45.31 H new ATOM 0 HG3 MET A 128 -5.367 -3.996 -2.909 1.00 45.31 H new ATOM 0 HE1 MET A 128 -3.588 -8.195 -3.605 1.00 61.45 H new ATOM 0 HE2 MET A 128 -3.910 -7.215 -5.055 1.00 61.45 H new ATOM 0 HE3 MET A 128 -2.769 -6.630 -3.821 1.00 61.45 H new ATOM 2085 N GLN A 129 -1.882 -2.353 -5.067 1.00 41.21 N ATOM 2086 CA GLN A 129 -0.608 -1.825 -4.564 1.00 32.15 C ATOM 2087 C GLN A 129 -0.652 -0.287 -4.514 1.00 20.43 C ATOM 2088 O GLN A 129 -0.260 0.328 -3.519 1.00 64.11 O ATOM 2089 CB GLN A 129 0.541 -2.333 -5.458 1.00 13.23 C ATOM 2090 CG GLN A 129 1.953 -2.071 -4.930 1.00 51.43 C ATOM 2091 CD GLN A 129 2.494 -0.697 -5.292 1.00 42.44 C ATOM 2092 OE1 GLN A 129 2.132 -0.118 -6.313 1.00 24.02 O ATOM 2093 NE2 GLN A 129 3.387 -0.181 -4.476 1.00 3.32 N ATOM 0 H GLN A 129 -1.807 -2.828 -5.966 1.00 41.21 H new ATOM 0 HA GLN A 129 -0.435 -2.179 -3.548 1.00 32.15 H new ATOM 0 HB2 GLN A 129 0.419 -3.407 -5.601 1.00 13.23 H new ATOM 0 HB3 GLN A 129 0.447 -1.868 -6.439 1.00 13.23 H new ATOM 0 HG2 GLN A 129 1.952 -2.177 -3.845 1.00 51.43 H new ATOM 0 HG3 GLN A 129 2.626 -2.832 -5.324 1.00 51.43 H new ATOM 0 HE21 GLN A 129 3.665 -0.689 -3.636 1.00 3.32 H new ATOM 0 HE22 GLN A 129 3.802 0.728 -4.683 1.00 3.32 H new ATOM 2102 N LYS A 130 -1.151 0.324 -5.588 1.00 52.23 N ATOM 2103 CA LYS A 130 -1.406 1.769 -5.616 1.00 41.01 C ATOM 2104 C LYS A 130 -2.439 2.156 -4.551 1.00 41.21 C ATOM 2105 O LYS A 130 -2.240 3.092 -3.783 1.00 32.02 O ATOM 2106 CB LYS A 130 -1.914 2.197 -7.001 1.00 51.34 C ATOM 2107 CG LYS A 130 -2.323 3.668 -7.092 1.00 33.53 C ATOM 2108 CD LYS A 130 -2.897 4.014 -8.467 1.00 23.05 C ATOM 2109 CE LYS A 130 -3.315 5.479 -8.564 1.00 41.13 C ATOM 2110 NZ LYS A 130 -4.387 5.825 -7.590 1.00 21.24 N ATOM 0 H LYS A 130 -1.388 -0.159 -6.455 1.00 52.23 H new ATOM 0 HA LYS A 130 -0.468 2.281 -5.404 1.00 41.01 H new ATOM 0 HB2 LYS A 130 -1.135 2.002 -7.738 1.00 51.34 H new ATOM 0 HB3 LYS A 130 -2.769 1.577 -7.270 1.00 51.34 H new ATOM 0 HG2 LYS A 130 -3.064 3.888 -6.323 1.00 33.53 H new ATOM 0 HG3 LYS A 130 -1.458 4.299 -6.890 1.00 33.53 H new ATOM 0 HD2 LYS A 130 -2.153 3.798 -9.234 1.00 23.05 H new ATOM 0 HD3 LYS A 130 -3.758 3.378 -8.670 1.00 23.05 H new ATOM 0 HE2 LYS A 130 -2.447 6.115 -8.388 1.00 41.13 H new ATOM 0 HE3 LYS A 130 -3.664 5.689 -9.575 1.00 41.13 H new ATOM 0 HZ1 LYS A 130 -5.038 6.513 -8.020 1.00 21.24 H new ATOM 0 HZ2 LYS A 130 -4.912 4.965 -7.332 1.00 21.24 H new ATOM 0 HZ3 LYS A 130 -3.960 6.239 -6.737 1.00 21.24 H new ATOM 2124 N ASP A 131 -3.544 1.422 -4.513 1.00 75.22 N ATOM 2125 CA ASP A 131 -4.627 1.691 -3.567 1.00 14.21 C ATOM 2126 C ASP A 131 -4.092 1.727 -2.125 1.00 40.42 C ATOM 2127 O ASP A 131 -4.431 2.617 -1.351 1.00 34.51 O ATOM 2128 CB ASP A 131 -5.717 0.618 -3.716 1.00 53.24 C ATOM 2129 CG ASP A 131 -7.110 1.144 -3.420 1.00 65.55 C ATOM 2130 OD1 ASP A 131 -7.500 1.192 -2.240 1.00 33.32 O ATOM 2131 OD2 ASP A 131 -7.827 1.504 -4.382 1.00 61.41 O ATOM 0 H ASP A 131 -3.717 0.629 -5.131 1.00 75.22 H new ATOM 0 HA ASP A 131 -5.058 2.668 -3.787 1.00 14.21 H new ATOM 0 HB2 ASP A 131 -5.692 0.221 -4.731 1.00 53.24 H new ATOM 0 HB3 ASP A 131 -5.497 -0.211 -3.044 1.00 53.24 H new ATOM 2136 N ALA A 132 -3.221 0.771 -1.797 1.00 53.13 N ATOM 2137 CA ALA A 132 -2.617 0.678 -0.461 1.00 42.23 C ATOM 2138 C ALA A 132 -1.846 1.950 -0.069 1.00 74.31 C ATOM 2139 O ALA A 132 -2.046 2.495 1.019 1.00 1.11 O ATOM 2140 CB ALA A 132 -1.697 -0.532 -0.389 1.00 60.02 C ATOM 0 H ALA A 132 -2.914 0.043 -2.442 1.00 53.13 H new ATOM 0 HA ALA A 132 -3.433 0.566 0.253 1.00 42.23 H new ATOM 0 HB1 ALA A 132 -1.254 -0.593 0.605 1.00 60.02 H new ATOM 0 HB2 ALA A 132 -2.271 -1.437 -0.587 1.00 60.02 H new ATOM 0 HB3 ALA A 132 -0.907 -0.433 -1.133 1.00 60.02 H new ATOM 2146 N VAL A 133 -0.961 2.424 -0.948 1.00 30.44 N ATOM 2147 CA VAL A 133 -0.205 3.650 -0.671 1.00 71.43 C ATOM 2148 C VAL A 133 -1.140 4.877 -0.635 1.00 23.24 C ATOM 2149 O VAL A 133 -0.888 5.844 0.087 1.00 41.32 O ATOM 2150 CB VAL A 133 0.942 3.875 -1.696 1.00 5.05 C ATOM 2151 CG1 VAL A 133 0.410 4.064 -3.112 1.00 32.24 C ATOM 2152 CG2 VAL A 133 1.807 5.059 -1.281 1.00 34.51 C ATOM 0 H VAL A 133 -0.751 1.986 -1.845 1.00 30.44 H new ATOM 0 HA VAL A 133 0.252 3.526 0.311 1.00 71.43 H new ATOM 0 HB VAL A 133 1.559 2.976 -1.699 1.00 5.05 H new ATOM 0 HG11 VAL A 133 1.244 4.218 -3.797 1.00 32.24 H new ATOM 0 HG12 VAL A 133 -0.147 3.177 -3.413 1.00 32.24 H new ATOM 0 HG13 VAL A 133 -0.248 4.932 -3.141 1.00 32.24 H new ATOM 0 HG21 VAL A 133 2.604 5.201 -2.011 1.00 34.51 H new ATOM 0 HG22 VAL A 133 1.194 5.959 -1.234 1.00 34.51 H new ATOM 0 HG23 VAL A 133 2.243 4.865 -0.301 1.00 34.51 H new ATOM 2162 N GLN A 134 -2.233 4.817 -1.401 1.00 61.31 N ATOM 2163 CA GLN A 134 -3.259 5.868 -1.364 1.00 55.21 C ATOM 2164 C GLN A 134 -4.018 5.831 -0.027 1.00 70.31 C ATOM 2165 O GLN A 134 -4.448 6.869 0.484 1.00 54.33 O ATOM 2166 CB GLN A 134 -4.239 5.716 -2.545 1.00 15.04 C ATOM 2167 CG GLN A 134 -3.563 5.692 -3.921 1.00 21.21 C ATOM 2168 CD GLN A 134 -3.241 7.064 -4.513 1.00 41.12 C ATOM 2169 OE1 GLN A 134 -3.174 7.214 -5.729 1.00 5.34 O ATOM 2170 NE2 GLN A 134 -3.040 8.072 -3.685 1.00 4.34 N ATOM 0 H GLN A 134 -2.432 4.057 -2.052 1.00 61.31 H new ATOM 0 HA GLN A 134 -2.762 6.834 -1.454 1.00 55.21 H new ATOM 0 HB2 GLN A 134 -4.807 4.795 -2.415 1.00 15.04 H new ATOM 0 HB3 GLN A 134 -4.954 6.538 -2.518 1.00 15.04 H new ATOM 0 HG2 GLN A 134 -2.637 5.122 -3.843 1.00 21.21 H new ATOM 0 HG3 GLN A 134 -4.210 5.157 -4.616 1.00 21.21 H new ATOM 0 HE21 GLN A 134 -3.101 7.924 -2.678 1.00 4.34 H new ATOM 0 HE22 GLN A 134 -2.824 8.999 -4.053 1.00 4.34 H new ATOM 2179 N GLN A 135 -4.175 4.626 0.533 1.00 54.33 N ATOM 2180 CA GLN A 135 -4.718 4.467 1.886 1.00 62.04 C ATOM 2181 C GLN A 135 -3.823 5.197 2.893 1.00 23.13 C ATOM 2182 O GLN A 135 -4.263 6.120 3.578 1.00 42.21 O ATOM 2183 CB GLN A 135 -4.804 2.980 2.277 1.00 61.13 C ATOM 2184 CG GLN A 135 -5.672 2.122 1.362 1.00 72.51 C ATOM 2185 CD GLN A 135 -7.146 2.472 1.434 1.00 54.31 C ATOM 2186 OE1 GLN A 135 -7.643 2.914 2.461 1.00 72.10 O ATOM 2187 NE2 GLN A 135 -7.852 2.273 0.344 1.00 5.43 N ATOM 0 H GLN A 135 -3.934 3.749 0.071 1.00 54.33 H new ATOM 0 HA GLN A 135 -5.722 4.892 1.899 1.00 62.04 H new ATOM 0 HB2 GLN A 135 -3.796 2.565 2.291 1.00 61.13 H new ATOM 0 HB3 GLN A 135 -5.192 2.909 3.293 1.00 61.13 H new ATOM 0 HG2 GLN A 135 -5.328 2.236 0.334 1.00 72.51 H new ATOM 0 HG3 GLN A 135 -5.541 1.073 1.627 1.00 72.51 H new ATOM 0 HE21 GLN A 135 -7.403 1.903 -0.494 1.00 5.43 H new ATOM 0 HE22 GLN A 135 -8.849 2.489 0.336 1.00 5.43 H new ATOM 2196 N ILE A 136 -2.553 4.778 2.946 1.00 73.34 N ATOM 2197 CA ILE A 136 -1.554 5.369 3.848 1.00 43.33 C ATOM 2198 C ILE A 136 -1.529 6.902 3.732 1.00 41.12 C ATOM 2199 O ILE A 136 -1.497 7.609 4.737 1.00 72.14 O ATOM 2200 CB ILE A 136 -0.134 4.816 3.551 1.00 63.41 C ATOM 2201 CG1 ILE A 136 -0.129 3.278 3.614 1.00 70.51 C ATOM 2202 CG2 ILE A 136 0.890 5.398 4.528 1.00 63.13 C ATOM 2203 CD1 ILE A 136 1.197 2.652 3.230 1.00 10.14 C ATOM 0 H ILE A 136 -2.188 4.022 2.367 1.00 73.34 H new ATOM 0 HA ILE A 136 -1.843 5.094 4.862 1.00 43.33 H new ATOM 0 HB ILE A 136 0.147 5.120 2.543 1.00 63.41 H new ATOM 0 HG12 ILE A 136 -0.388 2.965 4.625 1.00 70.51 H new ATOM 0 HG13 ILE A 136 -0.906 2.894 2.953 1.00 70.51 H new ATOM 0 HG21 ILE A 136 1.878 4.997 4.301 1.00 63.13 H new ATOM 0 HG22 ILE A 136 0.908 6.484 4.432 1.00 63.13 H new ATOM 0 HG23 ILE A 136 0.614 5.129 5.548 1.00 63.13 H new ATOM 0 HD11 ILE A 136 1.121 1.567 3.299 1.00 10.14 H new ATOM 0 HD12 ILE A 136 1.450 2.934 2.208 1.00 10.14 H new ATOM 0 HD13 ILE A 136 1.975 3.005 3.907 1.00 10.14 H new ATOM 2215 N LEU A 137 -1.559 7.395 2.492 1.00 42.43 N ATOM 2216 CA LEU A 137 -1.576 8.837 2.215 1.00 22.43 C ATOM 2217 C LEU A 137 -2.633 9.581 3.053 1.00 12.12 C ATOM 2218 O LEU A 137 -2.325 10.555 3.745 1.00 20.32 O ATOM 2219 CB LEU A 137 -1.850 9.072 0.722 1.00 50.05 C ATOM 2220 CG LEU A 137 -1.983 10.547 0.295 1.00 33.30 C ATOM 2221 CD1 LEU A 137 -0.668 11.297 0.501 1.00 33.31 C ATOM 2222 CD2 LEU A 137 -2.455 10.650 -1.157 1.00 2.23 C ATOM 0 H LEU A 137 -1.572 6.812 1.655 1.00 42.43 H new ATOM 0 HA LEU A 137 -0.598 9.234 2.489 1.00 22.43 H new ATOM 0 HB2 LEU A 137 -1.044 8.617 0.147 1.00 50.05 H new ATOM 0 HB3 LEU A 137 -2.768 8.550 0.453 1.00 50.05 H new ATOM 0 HG LEU A 137 -2.736 11.017 0.928 1.00 33.30 H new ATOM 0 HD11 LEU A 137 -0.789 12.335 0.192 1.00 33.31 H new ATOM 0 HD12 LEU A 137 -0.390 11.262 1.554 1.00 33.31 H new ATOM 0 HD13 LEU A 137 0.115 10.830 -0.096 1.00 33.31 H new ATOM 0 HD21 LEU A 137 -2.542 11.700 -1.438 1.00 2.23 H new ATOM 0 HD22 LEU A 137 -1.734 10.158 -1.810 1.00 2.23 H new ATOM 0 HD23 LEU A 137 -3.426 10.165 -1.259 1.00 2.23 H new ATOM 2234 N ARG A 138 -3.878 9.116 2.991 1.00 15.13 N ATOM 2235 CA ARG A 138 -4.986 9.804 3.662 1.00 3.45 C ATOM 2236 C ARG A 138 -5.092 9.406 5.145 1.00 4.31 C ATOM 2237 O ARG A 138 -5.565 10.184 5.967 1.00 73.14 O ATOM 2238 CB ARG A 138 -6.309 9.529 2.930 1.00 10.32 C ATOM 2239 CG ARG A 138 -7.422 10.513 3.289 1.00 53.40 C ATOM 2240 CD ARG A 138 -8.634 10.367 2.372 1.00 20.32 C ATOM 2241 NE ARG A 138 -9.609 11.439 2.577 1.00 44.43 N ATOM 2242 CZ ARG A 138 -10.466 11.838 1.674 1.00 42.11 C ATOM 2243 NH1 ARG A 138 -10.505 11.279 0.507 1.00 61.30 N ATOM 2244 NH2 ARG A 138 -11.275 12.815 1.930 1.00 24.31 N ATOM 0 H ARG A 138 -4.148 8.271 2.487 1.00 15.13 H new ATOM 0 HA ARG A 138 -4.780 10.874 3.627 1.00 3.45 H new ATOM 0 HB2 ARG A 138 -6.135 9.567 1.855 1.00 10.32 H new ATOM 0 HB3 ARG A 138 -6.640 8.517 3.164 1.00 10.32 H new ATOM 0 HG2 ARG A 138 -7.728 10.352 4.323 1.00 53.40 H new ATOM 0 HG3 ARG A 138 -7.040 11.532 3.225 1.00 53.40 H new ATOM 0 HD2 ARG A 138 -8.305 10.370 1.333 1.00 20.32 H new ATOM 0 HD3 ARG A 138 -9.111 9.404 2.552 1.00 20.32 H new ATOM 0 HE ARG A 138 -9.621 11.905 3.484 1.00 44.43 H new ATOM 0 HH11 ARG A 138 -9.863 10.519 0.284 1.00 61.30 H new ATOM 0 HH12 ARG A 138 -11.178 11.599 -0.189 1.00 61.30 H new ATOM 0 HH21 ARG A 138 -11.245 13.277 2.839 1.00 24.31 H new ATOM 0 HH22 ARG A 138 -11.942 13.123 1.223 1.00 24.31 H new ATOM 2258 N GLN A 139 -4.647 8.194 5.488 1.00 61.33 N ATOM 2259 CA GLN A 139 -4.637 7.747 6.890 1.00 3.15 C ATOM 2260 C GLN A 139 -3.650 8.582 7.725 1.00 3.20 C ATOM 2261 O GLN A 139 -3.999 9.108 8.780 1.00 33.04 O ATOM 2262 CB GLN A 139 -4.262 6.256 6.990 1.00 2.41 C ATOM 2263 CG GLN A 139 -5.238 5.296 6.303 1.00 13.05 C ATOM 2264 CD GLN A 139 -6.615 5.238 6.954 1.00 51.24 C ATOM 2265 OE1 GLN A 139 -7.107 6.211 7.511 1.00 5.22 O ATOM 2266 NE2 GLN A 139 -7.253 4.085 6.884 1.00 10.12 N ATOM 0 H GLN A 139 -4.291 7.507 4.823 1.00 61.33 H new ATOM 0 HA GLN A 139 -5.643 7.886 7.286 1.00 3.15 H new ATOM 0 HB2 GLN A 139 -3.272 6.116 6.556 1.00 2.41 H new ATOM 0 HB3 GLN A 139 -4.190 5.985 8.043 1.00 2.41 H new ATOM 0 HG2 GLN A 139 -5.353 5.595 5.261 1.00 13.05 H new ATOM 0 HG3 GLN A 139 -4.806 4.295 6.301 1.00 13.05 H new ATOM 0 HE21 GLN A 139 -6.820 3.290 6.414 1.00 10.12 H new ATOM 0 HE22 GLN A 139 -8.179 3.989 7.300 1.00 10.12 H new ATOM 2275 N VAL A 140 -2.419 8.706 7.231 1.00 44.31 N ATOM 2276 CA VAL A 140 -1.366 9.462 7.923 1.00 52.10 C ATOM 2277 C VAL A 140 -1.728 10.953 8.067 1.00 63.32 C ATOM 2278 O VAL A 140 -1.524 11.555 9.122 1.00 41.04 O ATOM 2279 CB VAL A 140 -0.008 9.320 7.183 1.00 11.43 C ATOM 2280 CG1 VAL A 140 1.063 10.218 7.803 1.00 2.12 C ATOM 2281 CG2 VAL A 140 0.454 7.863 7.184 1.00 11.23 C ATOM 0 H VAL A 140 -2.121 8.291 6.348 1.00 44.31 H new ATOM 0 HA VAL A 140 -1.276 9.038 8.923 1.00 52.10 H new ATOM 0 HB VAL A 140 -0.158 9.641 6.152 1.00 11.43 H new ATOM 0 HG11 VAL A 140 2.000 10.094 7.261 1.00 2.12 H new ATOM 0 HG12 VAL A 140 0.744 11.259 7.743 1.00 2.12 H new ATOM 0 HG13 VAL A 140 1.209 9.943 8.848 1.00 2.12 H new ATOM 0 HG21 VAL A 140 1.407 7.783 6.661 1.00 11.23 H new ATOM 0 HG22 VAL A 140 0.574 7.520 8.212 1.00 11.23 H new ATOM 0 HG23 VAL A 140 -0.289 7.245 6.680 1.00 11.23 H new ATOM 2291 N SER A 141 -2.273 11.540 7.003 1.00 40.40 N ATOM 2292 CA SER A 141 -2.653 12.961 7.011 1.00 75.20 C ATOM 2293 C SER A 141 -3.890 13.224 7.888 1.00 61.30 C ATOM 2294 O SER A 141 -3.918 14.179 8.664 1.00 3.51 O ATOM 2295 CB SER A 141 -2.909 13.458 5.581 1.00 32.52 C ATOM 2296 OG SER A 141 -3.886 12.669 4.920 1.00 44.45 O ATOM 0 H SER A 141 -2.463 11.059 6.124 1.00 40.40 H new ATOM 0 HA SER A 141 -1.818 13.514 7.441 1.00 75.20 H new ATOM 0 HB2 SER A 141 -3.238 14.497 5.610 1.00 32.52 H new ATOM 0 HB3 SER A 141 -1.978 13.434 5.015 1.00 32.52 H new ATOM 0 HG SER A 141 -3.452 11.901 4.492 1.00 44.45 H new ATOM 2302 N ALA A 142 -4.908 12.373 7.768 1.00 5.31 N ATOM 2303 CA ALA A 142 -6.152 12.538 8.534 1.00 73.11 C ATOM 2304 C ALA A 142 -6.005 12.089 9.998 1.00 43.11 C ATOM 2305 O ALA A 142 -6.811 12.466 10.852 1.00 32.12 O ATOM 2306 CB ALA A 142 -7.293 11.779 7.862 1.00 53.12 C ATOM 0 H ALA A 142 -4.900 11.562 7.150 1.00 5.31 H new ATOM 0 HA ALA A 142 -6.381 13.604 8.545 1.00 73.11 H new ATOM 0 HB1 ALA A 142 -8.208 11.910 8.440 1.00 53.12 H new ATOM 0 HB2 ALA A 142 -7.443 12.165 6.854 1.00 53.12 H new ATOM 0 HB3 ALA A 142 -7.045 10.719 7.811 1.00 53.12 H new ATOM 2312 N PHE A 143 -4.971 11.296 10.285 1.00 55.12 N ATOM 2313 CA PHE A 143 -4.735 10.775 11.643 1.00 75.34 C ATOM 2314 C PHE A 143 -4.719 11.910 12.688 1.00 73.12 C ATOM 2315 O PHE A 143 -5.206 11.744 13.807 1.00 11.02 O ATOM 2316 CB PHE A 143 -3.405 9.998 11.694 1.00 13.25 C ATOM 2317 CG PHE A 143 -3.425 8.792 12.608 1.00 35.03 C ATOM 2318 CD1 PHE A 143 -3.959 8.869 13.889 1.00 14.52 C ATOM 2319 CD2 PHE A 143 -2.911 7.576 12.179 1.00 54.21 C ATOM 2320 CE1 PHE A 143 -3.982 7.760 14.716 1.00 50.41 C ATOM 2321 CE2 PHE A 143 -2.931 6.466 13.003 1.00 34.41 C ATOM 2322 CZ PHE A 143 -3.468 6.558 14.271 1.00 34.25 C ATOM 0 H PHE A 143 -4.280 10.997 9.597 1.00 55.12 H new ATOM 0 HA PHE A 143 -5.556 10.101 11.886 1.00 75.34 H new ATOM 0 HB2 PHE A 143 -3.149 9.672 10.686 1.00 13.25 H new ATOM 0 HB3 PHE A 143 -2.615 10.674 12.020 1.00 13.25 H new ATOM 0 HD1 PHE A 143 -4.361 9.807 14.243 1.00 14.52 H new ATOM 0 HD2 PHE A 143 -2.490 7.496 11.188 1.00 54.21 H new ATOM 0 HE1 PHE A 143 -4.401 7.834 15.708 1.00 50.41 H new ATOM 0 HE2 PHE A 143 -2.527 5.527 12.654 1.00 34.41 H new ATOM 0 HZ PHE A 143 -3.486 5.691 14.915 1.00 34.25 H new ATOM 2332 N THR A 144 -4.164 13.063 12.309 1.00 30.22 N ATOM 2333 CA THR A 144 -4.096 14.226 13.209 1.00 54.12 C ATOM 2334 C THR A 144 -5.490 14.816 13.490 1.00 32.24 C ATOM 2335 O THR A 144 -5.722 15.399 14.548 1.00 53.13 O ATOM 2336 CB THR A 144 -3.180 15.341 12.640 1.00 52.55 C ATOM 2337 OG1 THR A 144 -3.062 16.428 13.576 1.00 64.11 O ATOM 2338 CG2 THR A 144 -3.713 15.871 11.311 1.00 14.43 C ATOM 0 H THR A 144 -3.755 13.221 11.388 1.00 30.22 H new ATOM 0 HA THR A 144 -3.672 13.859 14.144 1.00 54.12 H new ATOM 0 HB THR A 144 -2.197 14.901 12.472 1.00 52.55 H new ATOM 0 HG1 THR A 144 -2.479 17.121 13.201 1.00 64.11 H new ATOM 0 HG21 THR A 144 -3.049 16.651 10.938 1.00 14.43 H new ATOM 0 HG22 THR A 144 -3.760 15.057 10.587 1.00 14.43 H new ATOM 0 HG23 THR A 144 -4.711 16.284 11.458 1.00 14.43 H new