USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 563 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 72 SER OG : rot -77:sc= 0.696 USER MOD Set 1.2: A 73 CYS SG : rot 175:sc= -1.38 USER MOD Set 2.1: A 16 LYS NZ :NH3+ -162:sc= -0.505 (180deg=-1) USER MOD Set 2.2: A 62 SER OG : rot 38:sc= 1.25 USER MOD Single : A 15 SER OG : rot 156:sc= 1.01 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.964 USER MOD Single : A 22 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.29) USER MOD Single : A 24 SER OG : rot -120:sc= -1.21 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.615 K(o=-0.61,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.156 K(o=-0.16,f=-2.1!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -130:sc= -0.0645 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.731 USER MOD Single : A 67 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0153) USER MOD Single : A 71 ASN : amide:sc= -2.03 X(o=-2,f=-2!) USER MOD Single : A 74 ASN : amide:sc= -0.431 K(o=-0.43,f=-1.1) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 162 N SER A 15 -1.467 16.117 4.438 1.00 0.00 N ATOM 163 CA SER A 15 -0.974 14.940 5.143 1.00 0.00 C ATOM 164 C SER A 15 -0.269 13.987 4.183 1.00 0.00 C ATOM 165 O SER A 15 -0.891 13.414 3.289 1.00 0.00 O ATOM 166 CB SER A 15 -2.128 14.218 5.841 1.00 0.00 C ATOM 167 OG SER A 15 -1.645 13.270 6.777 1.00 0.00 O ATOM 0 HA SER A 15 -0.255 15.270 5.892 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.762 14.945 6.349 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.750 13.717 5.099 1.00 0.00 H new ATOM 0 HG SER A 15 -2.328 13.108 7.461 1.00 0.00 H new ATOM 173 N LYS A 16 1.036 13.822 4.376 1.00 0.00 N ATOM 174 CA LYS A 16 1.828 12.937 3.530 1.00 0.00 C ATOM 175 C LYS A 16 1.699 11.488 3.986 1.00 0.00 C ATOM 176 O LYS A 16 2.033 10.561 3.247 1.00 0.00 O ATOM 177 CB LYS A 16 3.299 13.361 3.551 1.00 0.00 C ATOM 178 CG LYS A 16 4.109 12.692 4.648 1.00 0.00 C ATOM 179 CD LYS A 16 5.567 13.115 4.601 1.00 0.00 C ATOM 180 CE LYS A 16 5.816 14.355 5.446 1.00 0.00 C ATOM 181 NZ LYS A 16 5.580 15.607 4.675 1.00 0.00 N ATOM 0 H LYS A 16 1.567 14.290 5.111 1.00 0.00 H new ATOM 0 HA LYS A 16 1.448 13.013 2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.749 13.129 2.586 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.355 14.442 3.677 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.687 12.946 5.620 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.040 11.609 4.544 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.195 12.299 4.957 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.856 13.313 3.569 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.163 14.337 6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.842 14.343 5.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.039 16.405 5.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.978 15.507 3.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.558 15.785 4.607 1.00 0.00 H new ATOM 195 N THR A 17 1.211 11.298 5.208 1.00 0.00 N ATOM 196 CA THR A 17 1.038 9.961 5.762 1.00 0.00 C ATOM 197 C THR A 17 -0.348 9.410 5.446 1.00 0.00 C ATOM 198 O THR A 17 -1.361 10.055 5.721 1.00 0.00 O ATOM 199 CB THR A 17 1.244 9.955 7.289 1.00 0.00 C ATOM 200 OG1 THR A 17 2.589 10.331 7.603 1.00 0.00 O ATOM 201 CG2 THR A 17 0.948 8.580 7.869 1.00 0.00 C ATOM 0 H THR A 17 0.929 12.053 5.833 1.00 0.00 H new ATOM 0 HA THR A 17 1.793 9.326 5.298 1.00 0.00 H new ATOM 0 HB THR A 17 0.554 10.674 7.730 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.711 10.326 8.575 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.100 8.600 8.948 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.085 8.309 7.653 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.617 7.845 7.422 1.00 0.00 H new ATOM 209 N LEU A 18 -0.387 8.215 4.868 1.00 0.00 N ATOM 210 CA LEU A 18 -1.650 7.576 4.515 1.00 0.00 C ATOM 211 C LEU A 18 -1.963 6.426 5.466 1.00 0.00 C ATOM 212 O LEU A 18 -1.066 5.700 5.895 1.00 0.00 O ATOM 213 CB LEU A 18 -1.600 7.064 3.074 1.00 0.00 C ATOM 214 CG LEU A 18 -0.942 7.993 2.054 1.00 0.00 C ATOM 215 CD1 LEU A 18 -0.780 7.288 0.716 1.00 0.00 C ATOM 216 CD2 LEU A 18 -1.756 9.269 1.891 1.00 0.00 C ATOM 0 H LEU A 18 0.442 7.668 4.634 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.442 8.320 4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.067 6.113 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.620 6.861 2.746 1.00 0.00 H new ATOM 0 HG LEU A 18 0.048 8.262 2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.310 7.965 0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.155 6.404 0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.759 6.989 0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.272 9.918 1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.759 9.019 1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.820 9.785 2.849 1.00 0.00 H new ATOM 228 N VAL A 19 -3.242 6.263 5.789 1.00 0.00 N ATOM 229 CA VAL A 19 -3.674 5.198 6.686 1.00 0.00 C ATOM 230 C VAL A 19 -4.372 4.081 5.918 1.00 0.00 C ATOM 231 O VAL A 19 -5.401 4.302 5.278 1.00 0.00 O ATOM 232 CB VAL A 19 -4.627 5.732 7.773 1.00 0.00 C ATOM 233 CG1 VAL A 19 -4.798 4.706 8.883 1.00 0.00 C ATOM 234 CG2 VAL A 19 -4.114 7.051 8.329 1.00 0.00 C ATOM 0 H VAL A 19 -3.997 6.855 5.443 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.777 4.802 7.162 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.603 5.910 7.322 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.474 5.100 9.642 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.213 3.787 8.469 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.829 4.494 9.335 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.799 7.414 9.095 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.127 6.902 8.766 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.048 7.784 7.525 1.00 0.00 H new ATOM 244 N LEU A 20 -3.807 2.881 5.986 1.00 0.00 N ATOM 245 CA LEU A 20 -4.375 1.728 5.297 1.00 0.00 C ATOM 246 C LEU A 20 -5.334 0.967 6.208 1.00 0.00 C ATOM 247 O LEU A 20 -5.066 0.788 7.396 1.00 0.00 O ATOM 248 CB LEU A 20 -3.261 0.795 4.818 1.00 0.00 C ATOM 249 CG LEU A 20 -3.669 -0.268 3.798 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.447 -0.799 3.063 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.418 -1.403 4.481 1.00 0.00 C ATOM 0 H LEU A 20 -2.956 2.681 6.511 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.933 2.091 4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.468 1.403 4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.837 0.292 5.687 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.335 0.192 3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.757 -1.555 2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.952 0.020 2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.756 -1.243 3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.701 -2.150 3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.776 -1.862 5.233 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.315 -1.010 4.961 1.00 0.00 H new ATOM 263 N SER A 21 -6.450 0.520 5.642 1.00 0.00 N ATOM 264 CA SER A 21 -7.450 -0.220 6.403 1.00 0.00 C ATOM 265 C SER A 21 -7.810 -1.526 5.701 1.00 0.00 C ATOM 266 O SER A 21 -7.889 -1.582 4.474 1.00 0.00 O ATOM 267 CB SER A 21 -8.706 0.631 6.598 1.00 0.00 C ATOM 268 OG SER A 21 -9.305 0.949 5.354 1.00 0.00 O ATOM 0 H SER A 21 -6.685 0.657 4.659 1.00 0.00 H new ATOM 0 HA SER A 21 -7.026 -0.457 7.379 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.420 0.093 7.222 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.449 1.549 7.126 1.00 0.00 H new ATOM 0 HG SER A 21 -10.106 1.492 5.506 1.00 0.00 H new ATOM 274 N ASN A 22 -8.028 -2.574 6.489 1.00 0.00 N ATOM 275 CA ASN A 22 -8.380 -3.880 5.944 1.00 0.00 C ATOM 276 C ASN A 22 -7.162 -4.555 5.320 1.00 0.00 C ATOM 277 O ASN A 22 -7.239 -5.110 4.223 1.00 0.00 O ATOM 278 CB ASN A 22 -9.489 -3.738 4.900 1.00 0.00 C ATOM 279 CG ASN A 22 -10.196 -5.052 4.625 1.00 0.00 C ATOM 280 OD1 ASN A 22 -11.150 -5.411 5.315 1.00 0.00 O ATOM 281 ND2 ASN A 22 -9.729 -5.775 3.614 1.00 0.00 N ATOM 0 H ASN A 22 -7.967 -2.544 7.507 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.739 -4.503 6.763 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.216 -3.002 5.244 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.064 -3.356 3.972 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.164 -6.668 3.382 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.935 -5.437 3.069 1.00 0.00 H new ATOM 288 N LEU A 23 -6.037 -4.503 6.026 1.00 0.00 N ATOM 289 CA LEU A 23 -4.802 -5.110 5.543 1.00 0.00 C ATOM 290 C LEU A 23 -4.764 -6.600 5.868 1.00 0.00 C ATOM 291 O LEU A 23 -4.933 -6.999 7.020 1.00 0.00 O ATOM 292 CB LEU A 23 -3.591 -4.410 6.161 1.00 0.00 C ATOM 293 CG LEU A 23 -2.299 -4.458 5.345 1.00 0.00 C ATOM 294 CD1 LEU A 23 -1.148 -3.848 6.131 1.00 0.00 C ATOM 295 CD2 LEU A 23 -1.973 -5.890 4.945 1.00 0.00 C ATOM 0 H LEU A 23 -5.955 -4.047 6.935 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.768 -4.993 4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.849 -3.365 6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.398 -4.856 7.137 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.444 -3.872 4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.237 -3.891 5.534 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.379 -2.809 6.367 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.003 -4.406 7.056 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.050 -5.905 4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.848 -6.499 5.841 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.787 -6.294 4.343 1.00 0.00 H new ATOM 307 N SER A 24 -4.538 -7.418 4.845 1.00 0.00 N ATOM 308 CA SER A 24 -4.478 -8.864 5.021 1.00 0.00 C ATOM 309 C SER A 24 -3.264 -9.260 5.856 1.00 0.00 C ATOM 310 O SER A 24 -2.151 -8.790 5.615 1.00 0.00 O ATOM 311 CB SER A 24 -4.427 -9.564 3.662 1.00 0.00 C ATOM 312 OG SER A 24 -3.240 -9.233 2.962 1.00 0.00 O ATOM 0 H SER A 24 -4.393 -7.104 3.885 1.00 0.00 H new ATOM 0 HA SER A 24 -5.378 -9.178 5.549 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.481 -10.643 3.803 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.295 -9.277 3.069 1.00 0.00 H new ATOM 0 HG SER A 24 -3.471 -8.802 2.112 1.00 0.00 H new ATOM 318 N TYR A 25 -3.486 -10.128 6.837 1.00 0.00 N ATOM 319 CA TYR A 25 -2.411 -10.586 7.709 1.00 0.00 C ATOM 320 C TYR A 25 -1.260 -11.170 6.895 1.00 0.00 C ATOM 321 O TYR A 25 -0.097 -11.077 7.288 1.00 0.00 O ATOM 322 CB TYR A 25 -2.936 -11.632 8.694 1.00 0.00 C ATOM 323 CG TYR A 25 -4.380 -11.421 9.088 1.00 0.00 C ATOM 324 CD1 TYR A 25 -4.720 -10.547 10.114 1.00 0.00 C ATOM 325 CD2 TYR A 25 -5.405 -12.096 8.437 1.00 0.00 C ATOM 326 CE1 TYR A 25 -6.038 -10.351 10.479 1.00 0.00 C ATOM 327 CE2 TYR A 25 -6.726 -11.905 8.794 1.00 0.00 C ATOM 328 CZ TYR A 25 -7.037 -11.032 9.815 1.00 0.00 C ATOM 329 OH TYR A 25 -8.352 -10.841 10.175 1.00 0.00 O ATOM 0 H TYR A 25 -4.400 -10.528 7.048 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.038 -9.726 8.266 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.830 -12.622 8.250 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.317 -11.617 9.591 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.940 -10.012 10.635 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.165 -12.782 7.638 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.285 -9.669 11.279 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.511 -12.437 8.276 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.930 -11.394 9.609 1.00 0.00 H new ATOM 339 N SER A 26 -1.594 -11.772 5.758 1.00 0.00 N ATOM 340 CA SER A 26 -0.590 -12.375 4.889 1.00 0.00 C ATOM 341 C SER A 26 0.245 -11.301 4.198 1.00 0.00 C ATOM 342 O SER A 26 1.360 -11.561 3.747 1.00 0.00 O ATOM 343 CB SER A 26 -1.260 -13.268 3.843 1.00 0.00 C ATOM 344 OG SER A 26 -1.856 -14.402 4.448 1.00 0.00 O ATOM 0 H SER A 26 -2.552 -11.855 5.417 1.00 0.00 H new ATOM 0 HA SER A 26 0.071 -12.984 5.506 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.018 -12.698 3.305 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.522 -13.590 3.108 1.00 0.00 H new ATOM 0 HG SER A 26 -2.279 -14.956 3.759 1.00 0.00 H new ATOM 350 N ALA A 27 -0.304 -10.094 4.118 1.00 0.00 N ATOM 351 CA ALA A 27 0.390 -8.979 3.484 1.00 0.00 C ATOM 352 C ALA A 27 1.370 -8.322 4.450 1.00 0.00 C ATOM 353 O ALA A 27 1.045 -8.081 5.613 1.00 0.00 O ATOM 354 CB ALA A 27 -0.613 -7.957 2.970 1.00 0.00 C ATOM 0 H ALA A 27 -1.227 -9.863 4.484 1.00 0.00 H new ATOM 0 HA ALA A 27 0.959 -9.370 2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.081 -7.130 2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.271 -8.428 2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.207 -7.579 3.802 1.00 0.00 H new ATOM 360 N THR A 28 2.572 -8.034 3.961 1.00 0.00 N ATOM 361 CA THR A 28 3.600 -7.406 4.781 1.00 0.00 C ATOM 362 C THR A 28 4.242 -6.231 4.053 1.00 0.00 C ATOM 363 O THR A 28 3.988 -6.008 2.870 1.00 0.00 O ATOM 364 CB THR A 28 4.698 -8.413 5.174 1.00 0.00 C ATOM 365 OG1 THR A 28 5.543 -8.681 4.050 1.00 0.00 O ATOM 366 CG2 THR A 28 4.085 -9.712 5.676 1.00 0.00 C ATOM 0 H THR A 28 2.857 -8.226 3.001 1.00 0.00 H new ATOM 0 HA THR A 28 3.107 -7.045 5.684 1.00 0.00 H new ATOM 0 HB THR A 28 5.291 -7.975 5.977 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.239 -9.320 4.309 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.879 -10.408 5.948 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.466 -9.508 6.550 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.470 -10.152 4.891 1.00 0.00 H new ATOM 374 N GLU A 29 5.076 -5.482 4.769 1.00 0.00 N ATOM 375 CA GLU A 29 5.754 -4.328 4.189 1.00 0.00 C ATOM 376 C GLU A 29 6.239 -4.636 2.775 1.00 0.00 C ATOM 377 O GLU A 29 6.360 -3.740 1.941 1.00 0.00 O ATOM 378 CB GLU A 29 6.936 -3.909 5.066 1.00 0.00 C ATOM 379 CG GLU A 29 6.558 -2.942 6.175 1.00 0.00 C ATOM 380 CD GLU A 29 7.490 -3.029 7.368 1.00 0.00 C ATOM 381 OE1 GLU A 29 8.675 -2.662 7.223 1.00 0.00 O ATOM 382 OE2 GLU A 29 7.035 -3.464 8.446 1.00 0.00 O ATOM 0 H GLU A 29 5.298 -5.653 5.750 1.00 0.00 H new ATOM 0 HA GLU A 29 5.040 -3.506 4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.383 -4.799 5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.698 -3.448 4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.569 -1.925 5.784 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.538 -3.148 6.500 1.00 0.00 H new ATOM 389 N GLU A 30 6.517 -5.910 2.515 1.00 0.00 N ATOM 390 CA GLU A 30 6.990 -6.336 1.204 1.00 0.00 C ATOM 391 C GLU A 30 5.912 -6.132 0.143 1.00 0.00 C ATOM 392 O GLU A 30 6.156 -5.523 -0.899 1.00 0.00 O ATOM 393 CB GLU A 30 7.412 -7.806 1.242 1.00 0.00 C ATOM 394 CG GLU A 30 8.867 -8.012 1.628 1.00 0.00 C ATOM 395 CD GLU A 30 9.266 -9.475 1.640 1.00 0.00 C ATOM 396 OE1 GLU A 30 8.497 -10.296 2.180 1.00 0.00 O ATOM 397 OE2 GLU A 30 10.349 -9.798 1.108 1.00 0.00 O ATOM 0 H GLU A 30 6.423 -6.664 3.195 1.00 0.00 H new ATOM 0 HA GLU A 30 7.853 -5.724 0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.778 -8.339 1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.238 -8.250 0.262 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.505 -7.471 0.929 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.041 -7.584 2.615 1.00 0.00 H new ATOM 404 N THR A 31 4.717 -6.648 0.416 1.00 0.00 N ATOM 405 CA THR A 31 3.602 -6.525 -0.513 1.00 0.00 C ATOM 406 C THR A 31 3.207 -5.066 -0.709 1.00 0.00 C ATOM 407 O THR A 31 2.843 -4.652 -1.811 1.00 0.00 O ATOM 408 CB THR A 31 2.374 -7.316 -0.025 1.00 0.00 C ATOM 409 OG1 THR A 31 2.759 -8.648 0.331 1.00 0.00 O ATOM 410 CG2 THR A 31 1.298 -7.365 -1.100 1.00 0.00 C ATOM 0 H THR A 31 4.498 -7.155 1.273 1.00 0.00 H new ATOM 0 HA THR A 31 3.937 -6.939 -1.464 1.00 0.00 H new ATOM 0 HB THR A 31 1.968 -6.809 0.850 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.973 -9.144 0.642 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.441 -7.929 -0.732 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.985 -6.351 -1.348 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.696 -7.850 -1.991 1.00 0.00 H new ATOM 418 N LEU A 32 3.281 -4.289 0.366 1.00 0.00 N ATOM 419 CA LEU A 32 2.932 -2.873 0.313 1.00 0.00 C ATOM 420 C LEU A 32 3.952 -2.091 -0.507 1.00 0.00 C ATOM 421 O LEU A 32 3.591 -1.207 -1.284 1.00 0.00 O ATOM 422 CB LEU A 32 2.846 -2.295 1.727 1.00 0.00 C ATOM 423 CG LEU A 32 1.998 -3.085 2.724 1.00 0.00 C ATOM 424 CD1 LEU A 32 1.988 -2.395 4.080 1.00 0.00 C ATOM 425 CD2 LEU A 32 0.579 -3.255 2.200 1.00 0.00 C ATOM 0 H LEU A 32 3.580 -4.615 1.285 1.00 0.00 H new ATOM 0 HA LEU A 32 1.959 -2.782 -0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.857 -2.212 2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.445 -1.284 1.661 1.00 0.00 H new ATOM 0 HG LEU A 32 2.440 -4.074 2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.380 -2.971 4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.007 -2.325 4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.570 -1.394 3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.010 -3.820 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.127 -2.275 2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.603 -3.793 1.252 1.00 0.00 H new ATOM 437 N GLN A 33 5.227 -2.424 -0.331 1.00 0.00 N ATOM 438 CA GLN A 33 6.299 -1.754 -1.056 1.00 0.00 C ATOM 439 C GLN A 33 6.096 -1.876 -2.563 1.00 0.00 C ATOM 440 O GLN A 33 6.632 -1.084 -3.337 1.00 0.00 O ATOM 441 CB GLN A 33 7.655 -2.342 -0.663 1.00 0.00 C ATOM 442 CG GLN A 33 8.276 -1.677 0.556 1.00 0.00 C ATOM 443 CD GLN A 33 9.156 -0.498 0.192 1.00 0.00 C ATOM 444 OE1 GLN A 33 10.383 -0.576 0.273 1.00 0.00 O ATOM 445 NE2 GLN A 33 8.534 0.603 -0.212 1.00 0.00 N ATOM 0 H GLN A 33 5.542 -3.154 0.308 1.00 0.00 H new ATOM 0 HA GLN A 33 6.278 -0.697 -0.789 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.536 -3.407 -0.465 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.340 -2.249 -1.506 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.484 -1.341 1.225 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.867 -2.411 1.104 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.516 0.623 -0.264 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.075 1.429 -0.470 1.00 0.00 H new ATOM 454 N GLU A 34 5.320 -2.875 -2.971 1.00 0.00 N ATOM 455 CA GLU A 34 5.048 -3.101 -4.386 1.00 0.00 C ATOM 456 C GLU A 34 3.921 -2.195 -4.875 1.00 0.00 C ATOM 457 O GLU A 34 3.947 -1.709 -6.006 1.00 0.00 O ATOM 458 CB GLU A 34 4.681 -4.566 -4.630 1.00 0.00 C ATOM 459 CG GLU A 34 5.724 -5.547 -4.122 1.00 0.00 C ATOM 460 CD GLU A 34 6.928 -5.647 -5.039 1.00 0.00 C ATOM 461 OE1 GLU A 34 7.615 -4.622 -5.231 1.00 0.00 O ATOM 462 OE2 GLU A 34 7.182 -6.751 -5.565 1.00 0.00 O ATOM 0 H GLU A 34 4.869 -3.540 -2.343 1.00 0.00 H new ATOM 0 HA GLU A 34 5.952 -2.862 -4.946 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.728 -4.779 -4.146 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.537 -4.723 -5.699 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.053 -5.240 -3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.270 -6.532 -4.017 1.00 0.00 H new ATOM 469 N VAL A 35 2.932 -1.974 -4.015 1.00 0.00 N ATOM 470 CA VAL A 35 1.796 -1.126 -4.358 1.00 0.00 C ATOM 471 C VAL A 35 2.172 0.350 -4.292 1.00 0.00 C ATOM 472 O VAL A 35 1.791 1.138 -5.158 1.00 0.00 O ATOM 473 CB VAL A 35 0.601 -1.384 -3.421 1.00 0.00 C ATOM 474 CG1 VAL A 35 -0.584 -0.517 -3.818 1.00 0.00 C ATOM 475 CG2 VAL A 35 0.223 -2.857 -3.432 1.00 0.00 C ATOM 0 H VAL A 35 2.894 -2.370 -3.076 1.00 0.00 H new ATOM 0 HA VAL A 35 1.509 -1.378 -5.379 1.00 0.00 H new ATOM 0 HB VAL A 35 0.893 -1.116 -2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.419 -0.712 -3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.304 0.534 -3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.879 -0.751 -4.841 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.623 -3.021 -2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.051 -3.155 -4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.071 -3.453 -3.095 1.00 0.00 H new ATOM 485 N PHE A 36 2.922 0.718 -3.258 1.00 0.00 N ATOM 486 CA PHE A 36 3.349 2.101 -3.078 1.00 0.00 C ATOM 487 C PHE A 36 4.827 2.262 -3.420 1.00 0.00 C ATOM 488 O PHE A 36 5.700 1.878 -2.642 1.00 0.00 O ATOM 489 CB PHE A 36 3.095 2.551 -1.638 1.00 0.00 C ATOM 490 CG PHE A 36 1.659 2.429 -1.216 1.00 0.00 C ATOM 491 CD1 PHE A 36 0.750 3.434 -1.505 1.00 0.00 C ATOM 492 CD2 PHE A 36 1.217 1.309 -0.530 1.00 0.00 C ATOM 493 CE1 PHE A 36 -0.572 3.324 -1.117 1.00 0.00 C ATOM 494 CE2 PHE A 36 -0.104 1.193 -0.140 1.00 0.00 C ATOM 495 CZ PHE A 36 -1.000 2.202 -0.435 1.00 0.00 C ATOM 0 H PHE A 36 3.246 0.078 -2.533 1.00 0.00 H new ATOM 0 HA PHE A 36 2.767 2.727 -3.755 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.715 1.957 -0.966 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.410 3.589 -1.529 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.078 4.313 -2.039 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.913 0.517 -0.297 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.270 4.115 -1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.435 0.315 0.395 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.033 2.114 -0.133 1.00 0.00 H new ATOM 505 N GLU A 37 5.099 2.832 -4.590 1.00 0.00 N ATOM 506 CA GLU A 37 6.471 3.043 -5.036 1.00 0.00 C ATOM 507 C GLU A 37 7.025 4.356 -4.489 1.00 0.00 C ATOM 508 O GLU A 37 8.217 4.470 -4.206 1.00 0.00 O ATOM 509 CB GLU A 37 6.539 3.045 -6.564 1.00 0.00 C ATOM 510 CG GLU A 37 6.248 1.690 -7.188 1.00 0.00 C ATOM 511 CD GLU A 37 7.462 0.782 -7.203 1.00 0.00 C ATOM 512 OE1 GLU A 37 8.595 1.303 -7.145 1.00 0.00 O ATOM 513 OE2 GLU A 37 7.279 -0.452 -7.272 1.00 0.00 O ATOM 0 H GLU A 37 4.388 3.156 -5.246 1.00 0.00 H new ATOM 0 HA GLU A 37 7.081 2.224 -4.654 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.826 3.774 -6.950 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.531 3.373 -6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.443 1.205 -6.636 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.893 1.833 -8.209 1.00 0.00 H new ATOM 520 N LYS A 38 6.150 5.346 -4.345 1.00 0.00 N ATOM 521 CA LYS A 38 6.549 6.651 -3.833 1.00 0.00 C ATOM 522 C LYS A 38 6.618 6.640 -2.309 1.00 0.00 C ATOM 523 O LYS A 38 7.209 7.530 -1.699 1.00 0.00 O ATOM 524 CB LYS A 38 5.567 7.728 -4.302 1.00 0.00 C ATOM 525 CG LYS A 38 5.359 7.747 -5.806 1.00 0.00 C ATOM 526 CD LYS A 38 6.375 8.641 -6.498 1.00 0.00 C ATOM 527 CE LYS A 38 5.858 9.138 -7.839 1.00 0.00 C ATOM 528 NZ LYS A 38 6.691 10.249 -8.377 1.00 0.00 N ATOM 0 H LYS A 38 5.160 5.269 -4.576 1.00 0.00 H new ATOM 0 HA LYS A 38 7.541 6.878 -4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.606 7.570 -3.813 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.931 8.704 -3.981 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.438 6.733 -6.198 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.352 8.098 -6.031 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.607 9.492 -5.858 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.304 8.091 -6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.847 8.314 -8.552 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.828 9.477 -7.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.306 10.560 -9.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.681 11.046 -7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.668 9.918 -8.507 1.00 0.00 H new ATOM 542 N ALA A 39 6.011 5.626 -1.701 1.00 0.00 N ATOM 543 CA ALA A 39 6.007 5.497 -0.249 1.00 0.00 C ATOM 544 C ALA A 39 7.426 5.515 0.307 1.00 0.00 C ATOM 545 O ALA A 39 8.162 4.534 0.192 1.00 0.00 O ATOM 546 CB ALA A 39 5.290 4.221 0.165 1.00 0.00 C ATOM 0 H ALA A 39 5.516 4.882 -2.192 1.00 0.00 H new ATOM 0 HA ALA A 39 5.472 6.351 0.166 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.294 4.137 1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.261 4.250 -0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.800 3.360 -0.267 1.00 0.00 H new ATOM 552 N THR A 40 7.807 6.636 0.911 1.00 0.00 N ATOM 553 CA THR A 40 9.139 6.782 1.484 1.00 0.00 C ATOM 554 C THR A 40 9.354 5.802 2.631 1.00 0.00 C ATOM 555 O THR A 40 10.489 5.529 3.024 1.00 0.00 O ATOM 556 CB THR A 40 9.376 8.215 1.997 1.00 0.00 C ATOM 557 OG1 THR A 40 8.535 8.477 3.126 1.00 0.00 O ATOM 558 CG2 THR A 40 9.097 9.234 0.902 1.00 0.00 C ATOM 0 H THR A 40 7.211 7.457 1.016 1.00 0.00 H new ATOM 0 HA THR A 40 9.851 6.567 0.687 1.00 0.00 H new ATOM 0 HB THR A 40 10.421 8.303 2.296 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.693 9.389 3.447 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.271 10.239 1.287 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.759 9.050 0.056 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.060 9.144 0.577 1.00 0.00 H new ATOM 566 N PHE A 41 8.258 5.274 3.166 1.00 0.00 N ATOM 567 CA PHE A 41 8.327 4.323 4.270 1.00 0.00 C ATOM 568 C PHE A 41 6.970 3.668 4.509 1.00 0.00 C ATOM 569 O PHE A 41 5.929 4.320 4.416 1.00 0.00 O ATOM 570 CB PHE A 41 8.800 5.024 5.545 1.00 0.00 C ATOM 571 CG PHE A 41 9.330 4.080 6.586 1.00 0.00 C ATOM 572 CD1 PHE A 41 10.648 3.653 6.547 1.00 0.00 C ATOM 573 CD2 PHE A 41 8.510 3.619 7.604 1.00 0.00 C ATOM 574 CE1 PHE A 41 11.137 2.784 7.504 1.00 0.00 C ATOM 575 CE2 PHE A 41 8.994 2.750 8.563 1.00 0.00 C ATOM 576 CZ PHE A 41 10.310 2.332 8.514 1.00 0.00 C ATOM 0 H PHE A 41 7.311 5.488 2.853 1.00 0.00 H new ATOM 0 HA PHE A 41 9.043 3.546 4.004 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.578 5.743 5.288 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.970 5.590 5.968 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.300 4.003 5.760 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.481 3.943 7.648 1.00 0.00 H new ATOM 0 HE1 PHE A 41 12.166 2.458 7.462 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.344 2.398 9.350 1.00 0.00 H new ATOM 0 HZ PHE A 41 10.691 1.654 9.263 1.00 0.00 H new ATOM 586 N ILE A 42 6.990 2.376 4.818 1.00 0.00 N ATOM 587 CA ILE A 42 5.761 1.633 5.071 1.00 0.00 C ATOM 588 C ILE A 42 5.815 0.927 6.421 1.00 0.00 C ATOM 589 O ILE A 42 6.787 0.239 6.737 1.00 0.00 O ATOM 590 CB ILE A 42 5.497 0.590 3.969 1.00 0.00 C ATOM 591 CG1 ILE A 42 5.159 1.286 2.649 1.00 0.00 C ATOM 592 CG2 ILE A 42 4.371 -0.345 4.384 1.00 0.00 C ATOM 593 CD1 ILE A 42 5.108 0.345 1.466 1.00 0.00 C ATOM 0 H ILE A 42 7.843 1.822 4.899 1.00 0.00 H new ATOM 0 HA ILE A 42 4.948 2.359 5.075 1.00 0.00 H new ATOM 0 HB ILE A 42 6.401 -0.002 3.825 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.195 1.786 2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.901 2.060 2.455 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.196 -1.076 3.595 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.647 -0.862 5.303 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.462 0.232 4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.863 0.907 0.565 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.078 -0.136 1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.346 -0.415 1.638 1.00 0.00 H new ATOM 605 N LYS A 43 4.764 1.099 7.215 1.00 0.00 N ATOM 606 CA LYS A 43 4.688 0.476 8.531 1.00 0.00 C ATOM 607 C LYS A 43 3.459 -0.422 8.638 1.00 0.00 C ATOM 608 O LYS A 43 2.349 -0.015 8.295 1.00 0.00 O ATOM 609 CB LYS A 43 4.647 1.547 9.624 1.00 0.00 C ATOM 610 CG LYS A 43 5.079 1.040 10.989 1.00 0.00 C ATOM 611 CD LYS A 43 6.591 1.075 11.143 1.00 0.00 C ATOM 612 CE LYS A 43 7.029 0.474 12.470 1.00 0.00 C ATOM 613 NZ LYS A 43 8.440 0.000 12.424 1.00 0.00 N ATOM 0 H LYS A 43 3.952 1.665 6.970 1.00 0.00 H new ATOM 0 HA LYS A 43 5.578 -0.138 8.666 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.292 2.376 9.333 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.634 1.942 9.696 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.619 1.649 11.767 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.721 0.020 11.129 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.054 0.526 10.323 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.941 2.105 11.075 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.921 1.218 13.259 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.374 -0.359 12.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.701 -0.403 13.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.538 -0.728 11.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.068 0.800 12.205 1.00 0.00 H new ATOM 627 N VAL A 44 3.665 -1.644 9.118 1.00 0.00 N ATOM 628 CA VAL A 44 2.574 -2.599 9.273 1.00 0.00 C ATOM 629 C VAL A 44 2.624 -3.274 10.639 1.00 0.00 C ATOM 630 O VAL A 44 3.378 -4.222 10.863 1.00 0.00 O ATOM 631 CB VAL A 44 2.614 -3.679 8.176 1.00 0.00 C ATOM 632 CG1 VAL A 44 3.964 -4.380 8.165 1.00 0.00 C ATOM 633 CG2 VAL A 44 1.486 -4.681 8.375 1.00 0.00 C ATOM 0 H VAL A 44 4.578 -1.996 9.406 1.00 0.00 H new ATOM 0 HA VAL A 44 1.645 -2.036 9.184 1.00 0.00 H new ATOM 0 HB VAL A 44 2.475 -3.196 7.209 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.973 -5.140 7.383 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.751 -3.651 7.972 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.137 -4.852 9.132 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.529 -5.437 7.591 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.593 -5.160 9.348 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.528 -4.164 8.328 1.00 0.00 H new ATOM 643 N PRO A 45 1.803 -2.777 11.575 1.00 0.00 N ATOM 644 CA PRO A 45 1.734 -3.318 12.936 1.00 0.00 C ATOM 645 C PRO A 45 1.101 -4.705 12.977 1.00 0.00 C ATOM 646 O PRO A 45 -0.003 -4.908 12.471 1.00 0.00 O ATOM 647 CB PRO A 45 0.855 -2.307 13.676 1.00 0.00 C ATOM 648 CG PRO A 45 0.020 -1.681 12.612 1.00 0.00 C ATOM 649 CD PRO A 45 0.878 -1.648 11.378 1.00 0.00 C ATOM 0 HA PRO A 45 2.724 -3.444 13.375 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.236 -2.796 14.428 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.459 -1.562 14.195 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -0.889 -2.257 12.440 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.289 -0.676 12.899 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.284 -1.769 10.472 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.412 -0.702 11.285 1.00 0.00 H new ATOM 657 N GLN A 46 1.806 -5.655 13.583 1.00 0.00 N ATOM 658 CA GLN A 46 1.311 -7.022 13.689 1.00 0.00 C ATOM 659 C GLN A 46 1.220 -7.456 15.148 1.00 0.00 C ATOM 660 O GLN A 46 1.704 -6.765 16.043 1.00 0.00 O ATOM 661 CB GLN A 46 2.222 -7.978 12.916 1.00 0.00 C ATOM 662 CG GLN A 46 2.236 -7.726 11.417 1.00 0.00 C ATOM 663 CD GLN A 46 2.497 -8.987 10.616 1.00 0.00 C ATOM 664 OE1 GLN A 46 2.253 -10.097 11.087 1.00 0.00 O ATOM 665 NE2 GLN A 46 2.997 -8.821 9.397 1.00 0.00 N ATOM 0 H GLN A 46 2.721 -5.503 14.008 1.00 0.00 H new ATOM 0 HA GLN A 46 0.311 -7.054 13.256 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.238 -7.889 13.301 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.900 -9.003 13.101 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.279 -7.300 11.115 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.002 -6.987 11.184 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.184 -7.882 9.046 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.194 -9.633 8.812 1.00 0.00 H new ATOM 726 N LYS A 51 -0.019 -11.624 12.955 1.00 0.00 N ATOM 727 CA LYS A 51 -1.180 -11.227 12.167 1.00 0.00 C ATOM 728 C LYS A 51 -1.403 -9.720 12.249 1.00 0.00 C ATOM 729 O LYS A 51 -1.637 -9.175 13.328 1.00 0.00 O ATOM 730 CB LYS A 51 -2.429 -11.965 12.654 1.00 0.00 C ATOM 731 CG LYS A 51 -2.583 -13.356 12.062 1.00 0.00 C ATOM 732 CD LYS A 51 -3.944 -13.951 12.384 1.00 0.00 C ATOM 733 CE LYS A 51 -4.111 -15.328 11.759 1.00 0.00 C ATOM 734 NZ LYS A 51 -5.545 -15.679 11.566 1.00 0.00 N ATOM 0 HA LYS A 51 -0.991 -11.493 11.127 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.394 -12.043 13.741 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.310 -11.374 12.405 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.452 -13.309 10.981 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.799 -14.007 12.450 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.064 -14.024 13.465 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.728 -13.287 12.020 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.598 -15.355 10.798 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.637 -16.075 12.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.616 -16.624 11.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.030 -15.678 12.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.992 -14.980 10.939 1.00 0.00 H new ATOM 748 N SER A 52 -1.331 -9.053 11.102 1.00 0.00 N ATOM 749 CA SER A 52 -1.523 -7.608 11.044 1.00 0.00 C ATOM 750 C SER A 52 -2.792 -7.199 11.785 1.00 0.00 C ATOM 751 O SER A 52 -3.816 -7.879 11.710 1.00 0.00 O ATOM 752 CB SER A 52 -1.594 -7.140 9.590 1.00 0.00 C ATOM 753 OG SER A 52 -1.102 -5.817 9.456 1.00 0.00 O ATOM 0 H SER A 52 -1.141 -9.490 10.200 1.00 0.00 H new ATOM 0 HA SER A 52 -0.671 -7.133 11.530 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.013 -7.813 8.959 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.625 -7.185 9.240 1.00 0.00 H new ATOM 0 HG SER A 52 -1.748 -5.277 8.954 1.00 0.00 H new ATOM 759 N LYS A 53 -2.718 -6.082 12.500 1.00 0.00 N ATOM 760 CA LYS A 53 -3.860 -5.579 13.255 1.00 0.00 C ATOM 761 C LYS A 53 -5.033 -5.274 12.328 1.00 0.00 C ATOM 762 O LYS A 53 -6.178 -5.187 12.769 1.00 0.00 O ATOM 763 CB LYS A 53 -3.469 -4.320 14.032 1.00 0.00 C ATOM 764 CG LYS A 53 -2.236 -4.499 14.900 1.00 0.00 C ATOM 765 CD LYS A 53 -2.260 -3.569 16.101 1.00 0.00 C ATOM 766 CE LYS A 53 -1.519 -4.169 17.286 1.00 0.00 C ATOM 767 NZ LYS A 53 -2.033 -3.648 18.583 1.00 0.00 N ATOM 0 H LYS A 53 -1.879 -5.507 12.573 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.168 -6.352 13.959 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.292 -3.508 13.326 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.306 -4.018 14.662 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.176 -5.533 15.240 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.342 -4.306 14.307 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.807 -2.615 15.833 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.293 -3.363 16.383 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.619 -5.254 17.265 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.456 -3.945 17.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.502 -4.081 19.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.914 -2.615 18.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.042 -3.884 18.677 1.00 0.00 H new ATOM 781 N GLY A 54 -4.738 -5.114 11.041 1.00 0.00 N ATOM 782 CA GLY A 54 -5.779 -4.822 10.073 1.00 0.00 C ATOM 783 C GLY A 54 -5.599 -3.467 9.419 1.00 0.00 C ATOM 784 O GLY A 54 -6.431 -3.041 8.617 1.00 0.00 O ATOM 0 H GLY A 54 -3.797 -5.181 10.652 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.783 -5.595 9.305 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.750 -4.858 10.567 1.00 0.00 H new ATOM 788 N TYR A 55 -4.512 -2.785 9.764 1.00 0.00 N ATOM 789 CA TYR A 55 -4.228 -1.468 9.208 1.00 0.00 C ATOM 790 C TYR A 55 -2.725 -1.253 9.057 1.00 0.00 C ATOM 791 O TYR A 55 -1.921 -2.018 9.589 1.00 0.00 O ATOM 792 CB TYR A 55 -4.824 -0.376 10.098 1.00 0.00 C ATOM 793 CG TYR A 55 -4.662 -0.645 11.577 1.00 0.00 C ATOM 794 CD1 TYR A 55 -5.480 -1.558 12.230 1.00 0.00 C ATOM 795 CD2 TYR A 55 -3.692 0.014 12.321 1.00 0.00 C ATOM 796 CE1 TYR A 55 -5.337 -1.807 13.582 1.00 0.00 C ATOM 797 CE2 TYR A 55 -3.540 -0.229 13.672 1.00 0.00 C ATOM 798 CZ TYR A 55 -4.365 -1.140 14.298 1.00 0.00 C ATOM 799 OH TYR A 55 -4.217 -1.385 15.644 1.00 0.00 O ATOM 0 H TYR A 55 -3.814 -3.123 10.426 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.686 -1.412 8.220 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.351 0.576 9.856 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.885 -0.272 9.870 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.241 -2.083 11.672 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.045 0.729 11.835 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.982 -2.519 14.075 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.779 0.291 14.235 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.488 -0.835 15.998 1.00 0.00 H new ATOM 809 N ALA A 56 -2.354 -0.205 8.329 1.00 0.00 N ATOM 810 CA ALA A 56 -0.949 0.114 8.110 1.00 0.00 C ATOM 811 C ALA A 56 -0.741 1.619 7.977 1.00 0.00 C ATOM 812 O ALA A 56 -1.689 2.368 7.735 1.00 0.00 O ATOM 813 CB ALA A 56 -0.432 -0.602 6.871 1.00 0.00 C ATOM 0 H ALA A 56 -3.007 0.438 7.881 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.386 -0.229 8.978 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.619 -0.355 6.720 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.536 -1.679 7.003 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.008 -0.286 6.001 1.00 0.00 H new ATOM 819 N PHE A 57 0.503 2.057 8.139 1.00 0.00 N ATOM 820 CA PHE A 57 0.834 3.474 8.039 1.00 0.00 C ATOM 821 C PHE A 57 1.829 3.721 6.909 1.00 0.00 C ATOM 822 O PHE A 57 2.991 3.323 6.992 1.00 0.00 O ATOM 823 CB PHE A 57 1.413 3.978 9.363 1.00 0.00 C ATOM 824 CG PHE A 57 0.394 4.083 10.462 1.00 0.00 C ATOM 825 CD1 PHE A 57 -0.521 5.123 10.479 1.00 0.00 C ATOM 826 CD2 PHE A 57 0.352 3.142 11.478 1.00 0.00 C ATOM 827 CE1 PHE A 57 -1.460 5.222 11.488 1.00 0.00 C ATOM 828 CE2 PHE A 57 -0.585 3.236 12.489 1.00 0.00 C ATOM 829 CZ PHE A 57 -1.491 4.278 12.495 1.00 0.00 C ATOM 0 H PHE A 57 1.299 1.451 8.340 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.082 4.022 7.819 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.210 3.306 9.681 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.866 4.957 9.203 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.500 5.865 9.695 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.059 2.326 11.480 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.169 6.037 11.489 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.609 2.495 13.274 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.222 4.354 13.286 1.00 0.00 H new ATOM 839 N ILE A 58 1.363 4.381 5.854 1.00 0.00 N ATOM 840 CA ILE A 58 2.211 4.683 4.707 1.00 0.00 C ATOM 841 C ILE A 58 2.798 6.086 4.812 1.00 0.00 C ATOM 842 O ILE A 58 2.119 7.024 5.229 1.00 0.00 O ATOM 843 CB ILE A 58 1.432 4.562 3.384 1.00 0.00 C ATOM 844 CG1 ILE A 58 0.494 3.354 3.428 1.00 0.00 C ATOM 845 CG2 ILE A 58 2.395 4.449 2.211 1.00 0.00 C ATOM 846 CD1 ILE A 58 1.179 2.071 3.846 1.00 0.00 C ATOM 0 H ILE A 58 0.404 4.717 5.770 1.00 0.00 H new ATOM 0 HA ILE A 58 3.020 3.952 4.711 1.00 0.00 H new ATOM 0 HB ILE A 58 0.830 5.461 3.250 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.322 3.563 4.120 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.049 3.214 2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.830 4.364 1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.026 5.337 2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.020 3.565 2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.454 1.257 3.855 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.977 1.838 3.141 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.601 2.192 4.844 1.00 0.00 H new ATOM 858 N GLU A 59 4.064 6.222 4.428 1.00 0.00 N ATOM 859 CA GLU A 59 4.742 7.512 4.478 1.00 0.00 C ATOM 860 C GLU A 59 5.219 7.931 3.090 1.00 0.00 C ATOM 861 O GLU A 59 5.625 7.094 2.283 1.00 0.00 O ATOM 862 CB GLU A 59 5.930 7.452 5.441 1.00 0.00 C ATOM 863 CG GLU A 59 6.274 8.793 6.067 1.00 0.00 C ATOM 864 CD GLU A 59 7.615 8.780 6.774 1.00 0.00 C ATOM 865 OE1 GLU A 59 7.799 7.945 7.684 1.00 0.00 O ATOM 866 OE2 GLU A 59 8.482 9.605 6.416 1.00 0.00 O ATOM 0 H GLU A 59 4.640 5.456 4.079 1.00 0.00 H new ATOM 0 HA GLU A 59 4.029 8.254 4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.709 6.737 6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.802 7.076 4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.283 9.560 5.292 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.495 9.068 6.778 1.00 0.00 H new ATOM 873 N PHE A 60 5.165 9.230 2.819 1.00 0.00 N ATOM 874 CA PHE A 60 5.589 9.761 1.529 1.00 0.00 C ATOM 875 C PHE A 60 6.432 11.020 1.709 1.00 0.00 C ATOM 876 O PHE A 60 6.744 11.416 2.831 1.00 0.00 O ATOM 877 CB PHE A 60 4.372 10.068 0.654 1.00 0.00 C ATOM 878 CG PHE A 60 3.542 8.858 0.334 1.00 0.00 C ATOM 879 CD1 PHE A 60 2.744 8.273 1.304 1.00 0.00 C ATOM 880 CD2 PHE A 60 3.562 8.305 -0.936 1.00 0.00 C ATOM 881 CE1 PHE A 60 1.979 7.159 1.012 1.00 0.00 C ATOM 882 CE2 PHE A 60 2.799 7.191 -1.233 1.00 0.00 C ATOM 883 CZ PHE A 60 2.008 6.617 -0.258 1.00 0.00 C ATOM 0 H PHE A 60 4.831 9.935 3.476 1.00 0.00 H new ATOM 0 HA PHE A 60 6.199 9.004 1.036 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.747 10.804 1.160 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.710 10.523 -0.277 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.719 8.692 2.299 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.180 8.749 -1.702 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.359 6.713 1.776 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.822 6.770 -2.227 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.413 5.746 -0.488 1.00 0.00 H new ATOM 893 N ALA A 61 6.796 11.645 0.594 1.00 0.00 N ATOM 894 CA ALA A 61 7.601 12.860 0.627 1.00 0.00 C ATOM 895 C ALA A 61 6.777 14.051 1.106 1.00 0.00 C ATOM 896 O ALA A 61 7.304 14.970 1.733 1.00 0.00 O ATOM 897 CB ALA A 61 8.189 13.142 -0.747 1.00 0.00 C ATOM 0 H ALA A 61 6.546 11.330 -0.343 1.00 0.00 H new ATOM 0 HA ALA A 61 8.416 12.707 1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.787 14.052 -0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.819 12.306 -1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.382 13.270 -1.469 1.00 0.00 H new ATOM 903 N SER A 62 5.483 14.028 0.806 1.00 0.00 N ATOM 904 CA SER A 62 4.587 15.109 1.202 1.00 0.00 C ATOM 905 C SER A 62 3.142 14.776 0.843 1.00 0.00 C ATOM 906 O SER A 62 2.867 13.758 0.207 1.00 0.00 O ATOM 907 CB SER A 62 5.003 16.418 0.528 1.00 0.00 C ATOM 908 OG SER A 62 5.934 17.128 1.326 1.00 0.00 O ATOM 0 H SER A 62 5.031 13.273 0.290 1.00 0.00 H new ATOM 0 HA SER A 62 4.657 15.227 2.283 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.442 16.205 -0.447 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.123 17.037 0.353 1.00 0.00 H new ATOM 0 HG SER A 62 6.550 16.495 1.750 1.00 0.00 H new ATOM 914 N PHE A 63 2.222 15.641 1.256 1.00 0.00 N ATOM 915 CA PHE A 63 0.804 15.440 0.979 1.00 0.00 C ATOM 916 C PHE A 63 0.569 15.204 -0.510 1.00 0.00 C ATOM 917 O PHE A 63 -0.491 14.725 -0.912 1.00 0.00 O ATOM 918 CB PHE A 63 -0.005 16.650 1.450 1.00 0.00 C ATOM 919 CG PHE A 63 -1.332 16.789 0.759 1.00 0.00 C ATOM 920 CD1 PHE A 63 -2.396 15.970 1.101 1.00 0.00 C ATOM 921 CD2 PHE A 63 -1.515 17.739 -0.234 1.00 0.00 C ATOM 922 CE1 PHE A 63 -3.617 16.096 0.466 1.00 0.00 C ATOM 923 CE2 PHE A 63 -2.734 17.869 -0.872 1.00 0.00 C ATOM 924 CZ PHE A 63 -3.786 17.047 -0.520 1.00 0.00 C ATOM 0 H PHE A 63 2.433 16.488 1.784 1.00 0.00 H new ATOM 0 HA PHE A 63 0.474 14.556 1.525 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.170 16.571 2.524 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.579 17.555 1.283 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.270 15.225 1.872 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.695 18.385 -0.512 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.438 15.451 0.741 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.864 18.612 -1.645 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.740 17.148 -1.016 1.00 0.00 H new ATOM 934 N GLU A 64 1.565 15.545 -1.322 1.00 0.00 N ATOM 935 CA GLU A 64 1.465 15.371 -2.766 1.00 0.00 C ATOM 936 C GLU A 64 1.542 13.894 -3.143 1.00 0.00 C ATOM 937 O GLU A 64 0.547 13.294 -3.551 1.00 0.00 O ATOM 938 CB GLU A 64 2.578 16.148 -3.473 1.00 0.00 C ATOM 939 CG GLU A 64 2.197 17.577 -3.819 1.00 0.00 C ATOM 940 CD GLU A 64 2.947 18.105 -5.027 1.00 0.00 C ATOM 941 OE1 GLU A 64 4.168 18.339 -4.912 1.00 0.00 O ATOM 942 OE2 GLU A 64 2.312 18.284 -6.087 1.00 0.00 O ATOM 0 H GLU A 64 2.449 15.943 -1.005 1.00 0.00 H new ATOM 0 HA GLU A 64 0.499 15.760 -3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.462 16.161 -2.836 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.852 15.622 -4.388 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.125 17.627 -4.011 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.397 18.220 -2.962 1.00 0.00 H new ATOM 949 N ASP A 65 2.729 13.316 -3.005 1.00 0.00 N ATOM 950 CA ASP A 65 2.937 11.909 -3.330 1.00 0.00 C ATOM 951 C ASP A 65 1.925 11.028 -2.604 1.00 0.00 C ATOM 952 O ASP A 65 1.347 10.115 -3.193 1.00 0.00 O ATOM 953 CB ASP A 65 4.359 11.483 -2.962 1.00 0.00 C ATOM 954 CG ASP A 65 5.377 11.901 -4.005 1.00 0.00 C ATOM 955 OD1 ASP A 65 5.169 12.949 -4.650 1.00 0.00 O ATOM 956 OD2 ASP A 65 6.381 11.178 -4.177 1.00 0.00 O ATOM 0 H ASP A 65 3.563 13.799 -2.670 1.00 0.00 H new ATOM 0 HA ASP A 65 2.795 11.785 -4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.628 11.919 -2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.391 10.400 -2.841 1.00 0.00 H new ATOM 961 N ALA A 66 1.716 11.309 -1.322 1.00 0.00 N ATOM 962 CA ALA A 66 0.774 10.543 -0.516 1.00 0.00 C ATOM 963 C ALA A 66 -0.602 10.502 -1.172 1.00 0.00 C ATOM 964 O ALA A 66 -1.220 9.442 -1.278 1.00 0.00 O ATOM 965 CB ALA A 66 0.676 11.131 0.884 1.00 0.00 C ATOM 0 H ALA A 66 2.187 12.062 -0.819 1.00 0.00 H new ATOM 0 HA ALA A 66 1.144 9.520 -0.443 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.031 10.549 1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.656 11.103 1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.333 12.164 0.822 1.00 0.00 H new ATOM 971 N LYS A 67 -1.078 11.662 -1.611 1.00 0.00 N ATOM 972 CA LYS A 67 -2.382 11.760 -2.257 1.00 0.00 C ATOM 973 C LYS A 67 -2.383 11.024 -3.593 1.00 0.00 C ATOM 974 O LYS A 67 -3.385 10.423 -3.979 1.00 0.00 O ATOM 975 CB LYS A 67 -2.759 13.228 -2.471 1.00 0.00 C ATOM 976 CG LYS A 67 -4.060 13.417 -3.232 1.00 0.00 C ATOM 977 CD LYS A 67 -5.267 13.153 -2.347 1.00 0.00 C ATOM 978 CE LYS A 67 -5.656 14.390 -1.553 1.00 0.00 C ATOM 979 NZ LYS A 67 -6.383 15.382 -2.393 1.00 0.00 N ATOM 0 H LYS A 67 -0.580 12.549 -1.531 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.120 11.293 -1.604 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.841 13.719 -1.501 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.955 13.726 -3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.110 14.433 -3.623 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.082 12.744 -4.089 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.108 12.835 -2.963 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.046 12.334 -1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.283 14.098 -0.711 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.760 14.852 -1.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.719 16.163 -1.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.742 15.755 -3.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.196 14.921 -2.850 1.00 0.00 H new ATOM 993 N GLU A 68 -1.254 11.074 -4.292 1.00 0.00 N ATOM 994 CA GLU A 68 -1.127 10.411 -5.585 1.00 0.00 C ATOM 995 C GLU A 68 -1.385 8.912 -5.455 1.00 0.00 C ATOM 996 O GLU A 68 -2.153 8.335 -6.224 1.00 0.00 O ATOM 997 CB GLU A 68 0.266 10.651 -6.171 1.00 0.00 C ATOM 998 CG GLU A 68 0.608 9.724 -7.325 1.00 0.00 C ATOM 999 CD GLU A 68 1.659 10.307 -8.250 1.00 0.00 C ATOM 1000 OE1 GLU A 68 1.746 11.550 -8.339 1.00 0.00 O ATOM 1001 OE2 GLU A 68 2.394 9.522 -8.884 1.00 0.00 O ATOM 0 H GLU A 68 -0.415 11.566 -3.985 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.874 10.834 -6.257 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.334 11.684 -6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.009 10.526 -5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.965 8.773 -6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.296 9.512 -7.896 1.00 0.00 H new ATOM 1008 N ALA A 69 -0.736 8.289 -4.477 1.00 0.00 N ATOM 1009 CA ALA A 69 -0.896 6.859 -4.244 1.00 0.00 C ATOM 1010 C ALA A 69 -2.202 6.564 -3.515 1.00 0.00 C ATOM 1011 O ALA A 69 -2.773 5.482 -3.656 1.00 0.00 O ATOM 1012 CB ALA A 69 0.286 6.317 -3.455 1.00 0.00 C ATOM 0 H ALA A 69 -0.094 8.752 -3.833 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.931 6.360 -5.213 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.153 5.248 -3.288 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.206 6.485 -4.016 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.348 6.829 -2.495 1.00 0.00 H new ATOM 1018 N LEU A 70 -2.669 7.531 -2.733 1.00 0.00 N ATOM 1019 CA LEU A 70 -3.909 7.374 -1.980 1.00 0.00 C ATOM 1020 C LEU A 70 -5.118 7.400 -2.910 1.00 0.00 C ATOM 1021 O LEU A 70 -6.151 6.799 -2.617 1.00 0.00 O ATOM 1022 CB LEU A 70 -4.034 8.481 -0.931 1.00 0.00 C ATOM 1023 CG LEU A 70 -5.457 8.833 -0.495 1.00 0.00 C ATOM 1024 CD1 LEU A 70 -6.088 7.671 0.256 1.00 0.00 C ATOM 1025 CD2 LEU A 70 -5.455 10.089 0.366 1.00 0.00 C ATOM 0 H LEU A 70 -2.208 8.432 -2.604 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.881 6.407 -1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.468 8.184 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.562 9.382 -1.324 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.052 9.028 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.100 7.940 0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.123 6.795 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.493 7.444 1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.476 10.325 0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.844 9.921 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.044 10.921 -0.205 1.00 0.00 H new ATOM 1037 N ASN A 71 -4.980 8.097 -4.033 1.00 0.00 N ATOM 1038 CA ASN A 71 -6.061 8.199 -5.007 1.00 0.00 C ATOM 1039 C ASN A 71 -6.059 6.999 -5.949 1.00 0.00 C ATOM 1040 O ASN A 71 -7.102 6.605 -6.470 1.00 0.00 O ATOM 1041 CB ASN A 71 -5.929 9.494 -5.811 1.00 0.00 C ATOM 1042 CG ASN A 71 -6.421 10.705 -5.043 1.00 0.00 C ATOM 1043 OD1 ASN A 71 -7.305 10.598 -4.192 1.00 0.00 O ATOM 1044 ND2 ASN A 71 -5.849 11.866 -5.340 1.00 0.00 N ATOM 0 H ASN A 71 -4.131 8.599 -4.291 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.007 8.211 -4.465 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.885 9.642 -6.087 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.494 9.402 -6.739 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.138 12.716 -4.856 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.120 11.908 -6.052 1.00 0.00 H new ATOM 1051 N SER A 72 -4.881 6.422 -6.161 1.00 0.00 N ATOM 1052 CA SER A 72 -4.742 5.268 -7.042 1.00 0.00 C ATOM 1053 C SER A 72 -4.849 3.966 -6.254 1.00 0.00 C ATOM 1054 O SER A 72 -5.785 3.189 -6.442 1.00 0.00 O ATOM 1055 CB SER A 72 -3.404 5.322 -7.781 1.00 0.00 C ATOM 1056 OG SER A 72 -2.350 5.677 -6.903 1.00 0.00 O ATOM 0 H SER A 72 -4.009 6.735 -5.735 1.00 0.00 H new ATOM 0 HA SER A 72 -5.552 5.299 -7.770 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.195 4.352 -8.232 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.463 6.045 -8.594 1.00 0.00 H new ATOM 0 HG SER A 72 -2.376 6.642 -6.733 1.00 0.00 H new ATOM 1062 N CYS A 73 -3.883 3.736 -5.372 1.00 0.00 N ATOM 1063 CA CYS A 73 -3.866 2.528 -4.554 1.00 0.00 C ATOM 1064 C CYS A 73 -5.203 2.332 -3.846 1.00 0.00 C ATOM 1065 O CYS A 73 -5.556 1.217 -3.464 1.00 0.00 O ATOM 1066 CB CYS A 73 -2.736 2.599 -3.526 1.00 0.00 C ATOM 1067 SG CYS A 73 -1.143 3.106 -4.214 1.00 0.00 S ATOM 0 H CYS A 73 -3.101 4.370 -5.205 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.696 1.676 -5.212 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.019 3.298 -2.739 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.623 1.621 -3.058 1.00 0.00 H new ATOM 0 HG CYS A 73 -0.277 3.235 -3.253 1.00 0.00 H new ATOM 1073 N ASN A 74 -5.941 3.423 -3.674 1.00 0.00 N ATOM 1074 CA ASN A 74 -7.238 3.372 -3.010 1.00 0.00 C ATOM 1075 C ASN A 74 -7.957 2.062 -3.321 1.00 0.00 C ATOM 1076 O ASN A 74 -8.098 1.679 -4.482 1.00 0.00 O ATOM 1077 CB ASN A 74 -8.104 4.557 -3.443 1.00 0.00 C ATOM 1078 CG ASN A 74 -9.072 4.992 -2.360 1.00 0.00 C ATOM 1079 OD1 ASN A 74 -10.277 5.086 -2.591 1.00 0.00 O ATOM 1080 ND2 ASN A 74 -8.547 5.260 -1.170 1.00 0.00 N ATOM 0 H ASN A 74 -5.663 4.354 -3.985 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.070 3.428 -1.935 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.461 5.395 -3.709 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.663 4.287 -4.339 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.149 5.557 -0.402 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.542 5.168 -1.024 1.00 0.00 H new ATOM 1087 N LYS A 75 -8.410 1.380 -2.274 1.00 0.00 N ATOM 1088 CA LYS A 75 -9.116 0.114 -2.434 1.00 0.00 C ATOM 1089 C LYS A 75 -8.300 -0.862 -3.275 1.00 0.00 C ATOM 1090 O LYS A 75 -8.787 -1.393 -4.274 1.00 0.00 O ATOM 1091 CB LYS A 75 -10.481 0.346 -3.084 1.00 0.00 C ATOM 1092 CG LYS A 75 -11.392 1.255 -2.277 1.00 0.00 C ATOM 1093 CD LYS A 75 -12.685 1.550 -3.019 1.00 0.00 C ATOM 1094 CE LYS A 75 -12.560 2.792 -3.887 1.00 0.00 C ATOM 1095 NZ LYS A 75 -13.890 3.300 -4.324 1.00 0.00 N ATOM 0 H LYS A 75 -8.301 1.683 -1.306 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.261 -0.320 -1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.334 0.779 -4.074 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.974 -0.615 -3.226 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.620 0.786 -1.320 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.875 2.190 -2.059 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.951 0.696 -3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.494 1.686 -2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.038 3.572 -3.332 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.953 2.563 -4.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.761 4.147 -4.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.378 2.565 -4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.460 3.543 -3.489 1.00 0.00 H new ATOM 1109 N ARG A 76 -7.057 -1.095 -2.865 1.00 0.00 N ATOM 1110 CA ARG A 76 -6.174 -2.008 -3.581 1.00 0.00 C ATOM 1111 C ARG A 76 -6.412 -3.450 -3.143 1.00 0.00 C ATOM 1112 O ARG A 76 -6.382 -3.759 -1.952 1.00 0.00 O ATOM 1113 CB ARG A 76 -4.712 -1.626 -3.346 1.00 0.00 C ATOM 1114 CG ARG A 76 -3.722 -2.651 -3.875 1.00 0.00 C ATOM 1115 CD ARG A 76 -3.341 -2.364 -5.319 1.00 0.00 C ATOM 1116 NE ARG A 76 -2.171 -3.131 -5.739 1.00 0.00 N ATOM 1117 CZ ARG A 76 -1.451 -2.842 -6.817 1.00 0.00 C ATOM 1118 NH1 ARG A 76 -1.779 -1.808 -7.580 1.00 0.00 N ATOM 1119 NH2 ARG A 76 -0.400 -3.588 -7.134 1.00 0.00 N ATOM 0 H ARG A 76 -6.639 -0.664 -2.041 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.396 -1.929 -4.645 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.516 -0.665 -3.821 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.547 -1.493 -2.277 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.826 -2.648 -3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.156 -3.648 -3.803 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.183 -2.601 -5.970 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.138 -1.300 -5.436 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.892 -3.933 -5.173 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.586 -1.232 -7.339 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.224 -1.588 -8.407 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.145 -4.384 -6.550 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.152 -3.365 -7.962 1.00 0.00 H new ATOM 1133 N GLU A 77 -6.647 -4.327 -4.113 1.00 0.00 N ATOM 1134 CA GLU A 77 -6.891 -5.736 -3.826 1.00 0.00 C ATOM 1135 C GLU A 77 -5.585 -6.461 -3.513 1.00 0.00 C ATOM 1136 O GLU A 77 -4.784 -6.733 -4.408 1.00 0.00 O ATOM 1137 CB GLU A 77 -7.589 -6.407 -5.011 1.00 0.00 C ATOM 1138 CG GLU A 77 -9.105 -6.346 -4.939 1.00 0.00 C ATOM 1139 CD GLU A 77 -9.760 -6.476 -6.300 1.00 0.00 C ATOM 1140 OE1 GLU A 77 -9.217 -5.917 -7.276 1.00 0.00 O ATOM 1141 OE2 GLU A 77 -10.815 -7.138 -6.389 1.00 0.00 O ATOM 0 H GLU A 77 -6.674 -4.087 -5.104 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.538 -5.796 -2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.258 -5.931 -5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.278 -7.450 -5.062 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.466 -7.143 -4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.406 -5.402 -4.484 1.00 0.00 H new ATOM 1148 N ILE A 78 -5.378 -6.771 -2.238 1.00 0.00 N ATOM 1149 CA ILE A 78 -4.171 -7.464 -1.807 1.00 0.00 C ATOM 1150 C ILE A 78 -4.512 -8.755 -1.070 1.00 0.00 C ATOM 1151 O ILE A 78 -5.150 -8.729 -0.018 1.00 0.00 O ATOM 1152 CB ILE A 78 -3.307 -6.576 -0.892 1.00 0.00 C ATOM 1153 CG1 ILE A 78 -2.916 -5.287 -1.617 1.00 0.00 C ATOM 1154 CG2 ILE A 78 -2.067 -7.331 -0.437 1.00 0.00 C ATOM 1155 CD1 ILE A 78 -2.117 -4.330 -0.761 1.00 0.00 C ATOM 0 H ILE A 78 -6.031 -6.553 -1.485 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.605 -7.701 -2.708 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.891 -6.312 -0.010 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.335 -5.541 -2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.820 -4.785 -1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.467 -6.690 0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.366 -8.223 0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.479 -7.622 -1.307 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.875 -3.439 -1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.704 -4.047 0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.195 -4.814 -0.438 1.00 0.00 H new ATOM 1167 N GLU A 79 -4.079 -9.881 -1.628 1.00 0.00 N ATOM 1168 CA GLU A 79 -4.338 -11.182 -1.022 1.00 0.00 C ATOM 1169 C GLU A 79 -5.834 -11.483 -1.000 1.00 0.00 C ATOM 1170 O GLU A 79 -6.325 -12.178 -0.111 1.00 0.00 O ATOM 1171 CB GLU A 79 -3.776 -11.227 0.401 1.00 0.00 C ATOM 1172 CG GLU A 79 -2.279 -10.981 0.472 1.00 0.00 C ATOM 1173 CD GLU A 79 -1.470 -12.152 -0.051 1.00 0.00 C ATOM 1174 OE1 GLU A 79 -1.751 -12.612 -1.178 1.00 0.00 O ATOM 1175 OE2 GLU A 79 -0.555 -12.609 0.666 1.00 0.00 O ATOM 0 H GLU A 79 -3.548 -9.919 -2.498 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.841 -11.942 -1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.288 -10.480 1.008 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.997 -12.200 0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.034 -10.089 -0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.996 -10.781 1.506 1.00 0.00 H new ATOM 1182 N GLY A 80 -6.553 -10.954 -1.985 1.00 0.00 N ATOM 1183 CA GLY A 80 -7.985 -11.177 -2.060 1.00 0.00 C ATOM 1184 C GLY A 80 -8.760 -10.298 -1.098 1.00 0.00 C ATOM 1185 O GLY A 80 -9.908 -10.593 -0.765 1.00 0.00 O ATOM 0 H GLY A 80 -6.170 -10.375 -2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.327 -10.986 -3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.198 -12.224 -1.843 1.00 0.00 H new ATOM 1189 N ARG A 81 -8.131 -9.217 -0.649 1.00 0.00 N ATOM 1190 CA ARG A 81 -8.768 -8.294 0.283 1.00 0.00 C ATOM 1191 C ARG A 81 -8.508 -6.846 -0.123 1.00 0.00 C ATOM 1192 O ARG A 81 -7.359 -6.410 -0.201 1.00 0.00 O ATOM 1193 CB ARG A 81 -8.256 -8.537 1.704 1.00 0.00 C ATOM 1194 CG ARG A 81 -9.015 -9.624 2.447 1.00 0.00 C ATOM 1195 CD ARG A 81 -8.725 -9.586 3.939 1.00 0.00 C ATOM 1196 NE ARG A 81 -7.578 -10.417 4.295 1.00 0.00 N ATOM 1197 CZ ARG A 81 -7.632 -11.740 4.394 1.00 0.00 C ATOM 1198 NH1 ARG A 81 -8.771 -12.380 4.164 1.00 0.00 N ATOM 1199 NH2 ARG A 81 -6.546 -12.427 4.723 1.00 0.00 N ATOM 0 H ARG A 81 -7.181 -8.959 -0.915 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.843 -8.473 0.256 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.201 -8.808 1.660 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.323 -7.607 2.269 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -10.085 -9.501 2.280 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.740 -10.600 2.047 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.536 -8.557 4.245 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.603 -9.926 4.488 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.687 -9.956 4.478 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.608 -11.856 3.910 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.809 -13.396 4.241 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.668 -11.939 4.900 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.589 -13.443 4.799 1.00 0.00 H new ATOM 1213 N ALA A 82 -9.582 -6.107 -0.379 1.00 0.00 N ATOM 1214 CA ALA A 82 -9.470 -4.708 -0.774 1.00 0.00 C ATOM 1215 C ALA A 82 -8.991 -3.846 0.388 1.00 0.00 C ATOM 1216 O ALA A 82 -9.533 -3.918 1.492 1.00 0.00 O ATOM 1217 CB ALA A 82 -10.805 -4.199 -1.298 1.00 0.00 C ATOM 0 H ALA A 82 -10.540 -6.453 -0.320 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.730 -4.639 -1.571 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.707 -3.153 -1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.105 -4.790 -2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.560 -4.289 -0.517 1.00 0.00 H new ATOM 1223 N ILE A 83 -7.973 -3.030 0.134 1.00 0.00 N ATOM 1224 CA ILE A 83 -7.423 -2.154 1.161 1.00 0.00 C ATOM 1225 C ILE A 83 -7.721 -0.691 0.851 1.00 0.00 C ATOM 1226 O ILE A 83 -7.422 -0.203 -0.239 1.00 0.00 O ATOM 1227 CB ILE A 83 -5.900 -2.338 1.301 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -5.182 -1.788 0.066 1.00 0.00 C ATOM 1229 CG2 ILE A 83 -5.561 -3.806 1.507 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -4.822 -0.323 0.179 1.00 0.00 C ATOM 0 H ILE A 83 -7.513 -2.957 -0.773 1.00 0.00 H new ATOM 0 HA ILE A 83 -7.902 -2.429 2.101 1.00 0.00 H new ATOM 0 HB ILE A 83 -5.560 -1.781 2.174 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.273 -2.365 -0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.818 -1.931 -0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.481 -3.920 1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.047 -4.168 2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.911 -4.384 0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.316 -0.001 -0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.729 0.265 0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.161 -0.176 1.033 1.00 0.00 H new ATOM 1242 N ARG A 84 -8.310 0.005 1.819 1.00 0.00 N ATOM 1243 CA ARG A 84 -8.648 1.413 1.650 1.00 0.00 C ATOM 1244 C ARG A 84 -7.597 2.306 2.303 1.00 0.00 C ATOM 1245 O ARG A 84 -6.972 1.926 3.294 1.00 0.00 O ATOM 1246 CB ARG A 84 -10.024 1.705 2.250 1.00 0.00 C ATOM 1247 CG ARG A 84 -10.594 3.053 1.840 1.00 0.00 C ATOM 1248 CD ARG A 84 -11.802 3.427 2.685 1.00 0.00 C ATOM 1249 NE ARG A 84 -13.031 2.820 2.181 1.00 0.00 N ATOM 1250 CZ ARG A 84 -14.115 2.627 2.925 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -14.121 2.991 4.200 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -15.195 2.069 2.394 1.00 0.00 N ATOM 0 H ARG A 84 -8.563 -0.383 2.728 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.672 1.629 0.582 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.717 0.920 1.947 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.953 1.666 3.337 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.826 3.820 1.941 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.879 3.024 0.788 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -11.637 3.110 3.715 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -11.913 4.511 2.700 1.00 0.00 H new ATOM 0 HE ARG A 84 -13.059 2.528 1.204 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -13.292 3.420 4.612 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -14.954 2.842 4.769 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -15.194 1.788 1.414 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -16.026 1.921 2.966 1.00 0.00 H new ATOM 1266 N LEU A 85 -7.406 3.495 1.741 1.00 0.00 N ATOM 1267 CA LEU A 85 -6.431 4.443 2.268 1.00 0.00 C ATOM 1268 C LEU A 85 -7.100 5.760 2.646 1.00 0.00 C ATOM 1269 O LEU A 85 -8.000 6.231 1.951 1.00 0.00 O ATOM 1270 CB LEU A 85 -5.328 4.695 1.238 1.00 0.00 C ATOM 1271 CG LEU A 85 -4.498 3.477 0.831 1.00 0.00 C ATOM 1272 CD1 LEU A 85 -4.007 3.621 -0.601 1.00 0.00 C ATOM 1273 CD2 LEU A 85 -3.326 3.288 1.783 1.00 0.00 C ATOM 0 H LEU A 85 -7.914 3.825 0.920 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.990 4.011 3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.785 5.114 0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.653 5.453 1.636 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.132 2.593 0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.418 2.745 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.862 3.707 -1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.389 4.515 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.746 2.417 1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.691 4.173 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.700 3.138 2.796 1.00 0.00 H new ATOM 1285 N GLU A 86 -6.654 6.349 3.751 1.00 0.00 N ATOM 1286 CA GLU A 86 -7.210 7.613 4.220 1.00 0.00 C ATOM 1287 C GLU A 86 -6.131 8.474 4.871 1.00 0.00 C ATOM 1288 O GLU A 86 -5.336 7.988 5.677 1.00 0.00 O ATOM 1289 CB GLU A 86 -8.344 7.359 5.215 1.00 0.00 C ATOM 1290 CG GLU A 86 -9.712 7.245 4.563 1.00 0.00 C ATOM 1291 CD GLU A 86 -10.846 7.338 5.565 1.00 0.00 C ATOM 1292 OE1 GLU A 86 -11.114 6.331 6.253 1.00 0.00 O ATOM 1293 OE2 GLU A 86 -11.465 8.418 5.661 1.00 0.00 O ATOM 0 H GLU A 86 -5.910 5.972 4.338 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.606 8.148 3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.135 6.441 5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.365 8.169 5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.823 8.035 3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.779 6.296 4.031 1.00 0.00 H new ATOM 1300 N LEU A 87 -6.109 9.754 4.516 1.00 0.00 N ATOM 1301 CA LEU A 87 -5.128 10.683 5.065 1.00 0.00 C ATOM 1302 C LEU A 87 -5.260 10.783 6.581 1.00 0.00 C ATOM 1303 O LEU A 87 -6.360 10.949 7.107 1.00 0.00 O ATOM 1304 CB LEU A 87 -5.300 12.067 4.435 1.00 0.00 C ATOM 1305 CG LEU A 87 -4.931 12.181 2.955 1.00 0.00 C ATOM 1306 CD1 LEU A 87 -5.227 13.580 2.438 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -3.465 11.831 2.743 1.00 0.00 C ATOM 0 H LEU A 87 -6.759 10.172 3.851 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.134 10.303 4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.340 12.372 4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.693 12.778 4.996 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.538 11.472 2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.958 13.643 1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.289 13.794 2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.646 14.308 3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.220 11.917 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.841 12.516 3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.283 10.809 3.075 1.00 0.00 H new ATOM 1319 N GLN A 88 -4.132 10.681 7.276 1.00 0.00 N ATOM 1320 CA GLN A 88 -4.122 10.761 8.732 1.00 0.00 C ATOM 1321 C GLN A 88 -4.229 12.209 9.198 1.00 0.00 C ATOM 1322 O GLN A 88 -3.867 13.134 8.472 1.00 0.00 O ATOM 1323 CB GLN A 88 -2.848 10.125 9.290 1.00 0.00 C ATOM 1324 CG GLN A 88 -3.016 9.551 10.688 1.00 0.00 C ATOM 1325 CD GLN A 88 -1.695 9.383 11.412 1.00 0.00 C ATOM 1326 OE1 GLN A 88 -1.404 10.100 12.371 1.00 0.00 O ATOM 1327 NE2 GLN A 88 -0.887 8.433 10.958 1.00 0.00 N ATOM 0 H GLN A 88 -3.213 10.543 6.855 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.987 10.213 9.107 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.523 9.331 8.617 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.055 10.873 9.306 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.664 10.206 11.270 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.516 8.584 10.622 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.168 7.862 10.161 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.015 8.274 11.406 1.00 0.00 H new