USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 615 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 GLN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD Set 1.2: A 94 GLN : amide:sc= 0 X(o=-0.17,f=-0.11) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot -78:sc= 1.19 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0876 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00188 USER MOD Single : A 40 TYR OH : rot 74:sc= -4.3! USER MOD Single : A 44 TYR OH : rot 180:sc= -1.65! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 39:sc= 0.0931 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0366 USER MOD Single : A 56 ASN : amide:sc= -0.0053 X(o=-0.0053,f=-0.031) USER MOD Single : A 60 THR OG1 : rot -40:sc= 0.745 USER MOD Single : A 62 ASN : amide:sc= -0.0323 K(o=-0.032,f=-2.9!) USER MOD Single : A 63 SER OG : rot 31:sc= 0.00122 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0175 USER MOD Single : A 70 GLN : amide:sc= -1.9! C(o=-1.9!,f=-2.4!) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.164 USER MOD Single : A 76 ASN : amide:sc= -1.73! K(o=-1.7!,f=-0.49) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 15:sc=-0.00128 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= -1.04 K(o=-1,f=-0.0034) USER MOD Single : A 88 SER OG : rot -58:sc= -0.526! USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -2.03 K(o=-2,f=-0.26) USER MOD Single : A 97 THR OG1 : rot -170:sc= 1.47 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 12 2.149 -11.909 4.057 1.00 0.00 N ATOM 142 CA ALA A 12 2.193 -10.527 3.607 1.00 0.00 C ATOM 143 C ALA A 12 3.600 -9.972 3.794 1.00 0.00 C ATOM 144 O ALA A 12 4.356 -10.479 4.629 1.00 0.00 O ATOM 145 CB ALA A 12 1.200 -9.701 4.400 1.00 0.00 C ATOM 0 HA ALA A 12 1.930 -10.481 2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.235 -8.666 4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.196 -10.098 4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.454 -9.745 5.459 1.00 0.00 H new ATOM 151 N PRO A 13 3.975 -8.927 3.037 1.00 0.00 N ATOM 152 CA PRO A 13 5.302 -8.319 3.141 1.00 0.00 C ATOM 153 C PRO A 13 5.507 -7.622 4.480 1.00 0.00 C ATOM 154 O PRO A 13 4.675 -6.810 4.892 1.00 0.00 O ATOM 155 CB PRO A 13 5.318 -7.288 2.003 1.00 0.00 C ATOM 156 CG PRO A 13 4.189 -7.671 1.115 1.00 0.00 C ATOM 157 CD PRO A 13 3.153 -8.241 2.027 1.00 0.00 C ATOM 0 HA PRO A 13 6.096 -9.063 3.071 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.191 -6.276 2.387 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.266 -7.309 1.466 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.804 -6.808 0.572 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.504 -8.402 0.370 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.528 -7.465 2.469 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.487 -8.930 1.507 1.00 0.00 H new ATOM 165 N PRO A 14 6.604 -7.954 5.187 1.00 0.00 N ATOM 166 CA PRO A 14 6.985 -7.289 6.435 1.00 0.00 C ATOM 167 C PRO A 14 6.905 -5.776 6.326 1.00 0.00 C ATOM 168 O PRO A 14 7.201 -5.209 5.270 1.00 0.00 O ATOM 169 CB PRO A 14 8.427 -7.741 6.643 1.00 0.00 C ATOM 170 CG PRO A 14 8.489 -9.084 6.005 1.00 0.00 C ATOM 171 CD PRO A 14 7.548 -9.031 4.832 1.00 0.00 C ATOM 0 HA PRO A 14 6.322 -7.547 7.261 1.00 0.00 H new ATOM 0 HB2 PRO A 14 9.131 -7.049 6.181 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.679 -7.792 7.702 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.504 -9.315 5.681 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.193 -9.863 6.707 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.077 -8.810 3.905 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.035 -9.982 4.688 1.00 0.00 H new ATOM 179 N ASP A 15 6.524 -5.154 7.448 1.00 0.00 N ATOM 180 CA ASP A 15 6.172 -3.731 7.523 1.00 0.00 C ATOM 181 C ASP A 15 7.016 -2.869 6.589 1.00 0.00 C ATOM 182 O ASP A 15 8.191 -2.613 6.854 1.00 0.00 O ATOM 183 CB ASP A 15 6.338 -3.251 8.966 1.00 0.00 C ATOM 184 CG ASP A 15 5.829 -1.841 9.184 1.00 0.00 C ATOM 185 OD1 ASP A 15 4.602 -1.668 9.334 1.00 0.00 O ATOM 186 OD2 ASP A 15 6.655 -0.906 9.235 1.00 0.00 O ATOM 0 H ASP A 15 6.450 -5.634 8.345 1.00 0.00 H new ATOM 0 HA ASP A 15 5.136 -3.627 7.201 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.806 -3.930 9.632 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.392 -3.297 9.239 1.00 0.00 H new ATOM 191 N PRO A 16 6.411 -2.419 5.477 1.00 0.00 N ATOM 192 CA PRO A 16 7.086 -1.599 4.458 1.00 0.00 C ATOM 193 C PRO A 16 7.417 -0.197 4.953 1.00 0.00 C ATOM 194 O PRO A 16 6.710 0.375 5.782 1.00 0.00 O ATOM 195 CB PRO A 16 6.067 -1.541 3.302 1.00 0.00 C ATOM 196 CG PRO A 16 5.120 -2.649 3.594 1.00 0.00 C ATOM 197 CD PRO A 16 5.025 -2.701 5.089 1.00 0.00 C ATOM 0 HA PRO A 16 8.047 -2.026 4.173 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.556 -0.579 3.270 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.553 -1.677 2.336 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.145 -2.463 3.144 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.483 -3.594 3.189 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.329 -1.960 5.482 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.689 -3.675 5.446 1.00 0.00 H new ATOM 205 N THR A 17 8.492 0.345 4.419 1.00 0.00 N ATOM 206 CA THR A 17 8.980 1.655 4.814 1.00 0.00 C ATOM 207 C THR A 17 8.717 2.675 3.727 1.00 0.00 C ATOM 208 O THR A 17 8.984 2.443 2.548 1.00 0.00 O ATOM 209 CB THR A 17 10.490 1.597 5.120 1.00 0.00 C ATOM 210 OG1 THR A 17 10.758 0.514 6.023 1.00 0.00 O ATOM 211 CG2 THR A 17 10.980 2.902 5.731 1.00 0.00 C ATOM 0 H THR A 17 9.054 -0.108 3.699 1.00 0.00 H new ATOM 0 HA THR A 17 8.446 1.957 5.715 1.00 0.00 H new ATOM 0 HB THR A 17 11.021 1.439 4.181 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.718 0.478 6.215 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.048 2.830 5.935 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.798 3.721 5.035 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.445 3.092 6.661 1.00 0.00 H new ATOM 219 N VAL A 18 8.156 3.787 4.141 1.00 0.00 N ATOM 220 CA VAL A 18 7.919 4.909 3.242 1.00 0.00 C ATOM 221 C VAL A 18 9.238 5.614 2.924 1.00 0.00 C ATOM 222 O VAL A 18 9.968 6.038 3.820 1.00 0.00 O ATOM 223 CB VAL A 18 6.897 5.906 3.834 1.00 0.00 C ATOM 224 CG1 VAL A 18 6.803 7.172 2.982 1.00 0.00 C ATOM 225 CG2 VAL A 18 5.529 5.246 3.965 1.00 0.00 C ATOM 0 H VAL A 18 7.851 3.946 5.101 1.00 0.00 H new ATOM 0 HA VAL A 18 7.494 4.517 2.318 1.00 0.00 H new ATOM 0 HB VAL A 18 7.243 6.196 4.826 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.076 7.854 3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.778 7.657 2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.487 6.909 1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.819 5.960 4.383 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.184 4.925 2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.604 4.381 4.624 1.00 0.00 H new ATOM 235 N ASP A 19 9.534 5.708 1.634 1.00 0.00 N ATOM 236 CA ASP A 19 10.801 6.242 1.151 1.00 0.00 C ATOM 237 C ASP A 19 10.761 7.765 1.093 1.00 0.00 C ATOM 238 O ASP A 19 11.664 8.439 1.587 1.00 0.00 O ATOM 239 CB ASP A 19 11.099 5.674 -0.238 1.00 0.00 C ATOM 240 CG ASP A 19 12.526 5.922 -0.691 1.00 0.00 C ATOM 241 OD1 ASP A 19 12.783 6.959 -1.332 1.00 0.00 O ATOM 242 OD2 ASP A 19 13.392 5.062 -0.422 1.00 0.00 O ATOM 0 H ASP A 19 8.900 5.415 0.891 1.00 0.00 H new ATOM 0 HA ASP A 19 11.590 5.948 1.843 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.907 4.601 -0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.413 6.117 -0.960 1.00 0.00 H new ATOM 247 N GLN A 20 9.694 8.300 0.517 1.00 0.00 N ATOM 248 CA GLN A 20 9.538 9.741 0.362 1.00 0.00 C ATOM 249 C GLN A 20 8.132 10.156 0.740 1.00 0.00 C ATOM 250 O GLN A 20 7.162 9.476 0.398 1.00 0.00 O ATOM 251 CB GLN A 20 9.810 10.170 -1.083 1.00 0.00 C ATOM 252 CG GLN A 20 11.228 9.910 -1.558 1.00 0.00 C ATOM 253 CD GLN A 20 11.432 10.306 -3.005 1.00 0.00 C ATOM 254 OE1 GLN A 20 11.232 9.503 -3.917 1.00 0.00 O ATOM 255 NE2 GLN A 20 11.836 11.546 -3.229 1.00 0.00 N ATOM 0 H GLN A 20 8.917 7.753 0.146 1.00 0.00 H new ATOM 0 HA GLN A 20 10.259 10.227 1.019 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.117 9.646 -1.741 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.597 11.235 -1.179 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.926 10.464 -0.930 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.461 8.852 -1.437 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.991 12.181 -2.446 1.00 0.00 H new ATOM 0 HE22 GLN A 20 11.993 11.867 -4.185 1.00 0.00 H new ATOM 264 N VAL A 21 8.027 11.256 1.464 1.00 0.00 N ATOM 265 CA VAL A 21 6.732 11.787 1.853 1.00 0.00 C ATOM 266 C VAL A 21 6.558 13.211 1.337 1.00 0.00 C ATOM 267 O VAL A 21 7.288 14.118 1.739 1.00 0.00 O ATOM 268 CB VAL A 21 6.546 11.785 3.384 1.00 0.00 C ATOM 269 CG1 VAL A 21 5.131 12.202 3.749 1.00 0.00 C ATOM 270 CG2 VAL A 21 6.874 10.424 3.976 1.00 0.00 C ATOM 0 H VAL A 21 8.824 11.800 1.795 1.00 0.00 H new ATOM 0 HA VAL A 21 5.978 11.136 1.410 1.00 0.00 H new ATOM 0 HB VAL A 21 7.241 12.509 3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.018 12.195 4.833 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.938 13.206 3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.420 11.505 3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.734 10.454 5.057 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.214 9.671 3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.910 10.170 3.752 1.00 0.00 H new ATOM 280 N ASP A 22 5.605 13.398 0.440 1.00 0.00 N ATOM 281 CA ASP A 22 5.296 14.718 -0.094 1.00 0.00 C ATOM 282 C ASP A 22 3.828 15.057 0.146 1.00 0.00 C ATOM 283 O ASP A 22 3.148 14.387 0.923 1.00 0.00 O ATOM 284 CB ASP A 22 5.599 14.785 -1.598 1.00 0.00 C ATOM 285 CG ASP A 22 7.077 14.909 -1.913 1.00 0.00 C ATOM 286 OD1 ASP A 22 7.587 16.048 -1.944 1.00 0.00 O ATOM 287 OD2 ASP A 22 7.729 13.873 -2.169 1.00 0.00 O ATOM 0 H ASP A 22 5.027 12.647 0.062 1.00 0.00 H new ATOM 0 HA ASP A 22 5.923 15.444 0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.207 13.889 -2.080 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.071 15.636 -2.029 1.00 0.00 H new ATOM 292 N ASP A 23 3.357 16.107 -0.509 1.00 0.00 N ATOM 293 CA ASP A 23 1.966 16.533 -0.416 1.00 0.00 C ATOM 294 C ASP A 23 1.022 15.562 -1.117 1.00 0.00 C ATOM 295 O ASP A 23 0.233 14.871 -0.476 1.00 0.00 O ATOM 296 CB ASP A 23 1.815 17.929 -1.031 1.00 0.00 C ATOM 297 CG ASP A 23 2.570 18.077 -2.337 1.00 0.00 C ATOM 298 OD1 ASP A 23 3.802 18.267 -2.292 1.00 0.00 O ATOM 299 OD2 ASP A 23 1.944 17.993 -3.412 1.00 0.00 O ATOM 0 H ASP A 23 3.928 16.690 -1.121 1.00 0.00 H new ATOM 0 HA ASP A 23 1.696 16.554 0.640 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.758 18.134 -1.202 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.174 18.675 -0.322 1.00 0.00 H new ATOM 304 N THR A 24 1.120 15.517 -2.431 1.00 0.00 N ATOM 305 CA THR A 24 0.202 14.766 -3.262 1.00 0.00 C ATOM 306 C THR A 24 0.873 13.511 -3.808 1.00 0.00 C ATOM 307 O THR A 24 0.561 13.046 -4.899 1.00 0.00 O ATOM 308 CB THR A 24 -0.277 15.664 -4.417 1.00 0.00 C ATOM 309 OG1 THR A 24 0.857 16.214 -5.103 1.00 0.00 O ATOM 310 CG2 THR A 24 -1.129 16.801 -3.880 1.00 0.00 C ATOM 0 H THR A 24 1.846 16.005 -2.956 1.00 0.00 H new ATOM 0 HA THR A 24 -0.653 14.454 -2.663 1.00 0.00 H new ATOM 0 HB THR A 24 -0.871 15.061 -5.104 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.220 16.963 -4.586 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.461 17.429 -4.707 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.997 16.392 -3.363 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.541 17.399 -3.184 1.00 0.00 H new ATOM 318 N SER A 25 1.787 12.965 -3.017 1.00 0.00 N ATOM 319 CA SER A 25 2.607 11.834 -3.429 1.00 0.00 C ATOM 320 C SER A 25 3.407 11.292 -2.243 1.00 0.00 C ATOM 321 O SER A 25 4.014 12.058 -1.498 1.00 0.00 O ATOM 322 CB SER A 25 3.540 12.242 -4.574 1.00 0.00 C ATOM 323 OG SER A 25 4.189 13.469 -4.289 1.00 0.00 O ATOM 0 H SER A 25 1.981 13.294 -2.071 1.00 0.00 H new ATOM 0 HA SER A 25 1.951 11.040 -3.787 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.284 11.462 -4.737 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.969 12.335 -5.498 1.00 0.00 H new ATOM 0 HG SER A 25 4.780 13.707 -5.034 1.00 0.00 H new ATOM 329 N ILE A 26 3.386 9.980 -2.066 1.00 0.00 N ATOM 330 CA ILE A 26 4.153 9.313 -1.004 1.00 0.00 C ATOM 331 C ILE A 26 4.615 7.957 -1.519 1.00 0.00 C ATOM 332 O ILE A 26 3.901 7.324 -2.271 1.00 0.00 O ATOM 333 CB ILE A 26 3.319 9.127 0.299 1.00 0.00 C ATOM 334 CG1 ILE A 26 3.134 10.459 1.029 1.00 0.00 C ATOM 335 CG2 ILE A 26 3.963 8.114 1.235 1.00 0.00 C ATOM 336 CD1 ILE A 26 2.301 10.347 2.290 1.00 0.00 C ATOM 0 H ILE A 26 2.842 9.342 -2.647 1.00 0.00 H new ATOM 0 HA ILE A 26 5.006 9.943 -0.750 1.00 0.00 H new ATOM 0 HB ILE A 26 2.341 8.748 0.000 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.113 10.863 1.285 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.662 11.172 0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.354 8.010 2.133 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.036 7.150 0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.961 8.456 1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.211 11.329 2.755 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.309 9.973 2.038 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.783 9.659 2.985 1.00 0.00 H new ATOM 348 N VAL A 27 5.792 7.502 -1.130 1.00 0.00 N ATOM 349 CA VAL A 27 6.313 6.268 -1.686 1.00 0.00 C ATOM 350 C VAL A 27 6.477 5.244 -0.591 1.00 0.00 C ATOM 351 O VAL A 27 6.941 5.575 0.486 1.00 0.00 O ATOM 352 CB VAL A 27 7.677 6.477 -2.353 1.00 0.00 C ATOM 353 CG1 VAL A 27 8.122 5.196 -3.044 1.00 0.00 C ATOM 354 CG2 VAL A 27 7.630 7.634 -3.334 1.00 0.00 C ATOM 0 H VAL A 27 6.395 7.958 -0.445 1.00 0.00 H new ATOM 0 HA VAL A 27 5.601 5.925 -2.437 1.00 0.00 H new ATOM 0 HB VAL A 27 8.406 6.727 -1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.092 5.355 -3.515 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.202 4.395 -2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.391 4.920 -3.804 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.610 7.761 -3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.891 7.425 -4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.355 8.547 -2.806 1.00 0.00 H new ATOM 364 N VAL A 28 6.107 4.004 -0.845 1.00 0.00 N ATOM 365 CA VAL A 28 6.278 2.979 0.160 1.00 0.00 C ATOM 366 C VAL A 28 6.963 1.761 -0.442 1.00 0.00 C ATOM 367 O VAL A 28 6.757 1.453 -1.610 1.00 0.00 O ATOM 368 CB VAL A 28 4.939 2.579 0.822 1.00 0.00 C ATOM 369 CG1 VAL A 28 3.906 3.678 0.714 1.00 0.00 C ATOM 370 CG2 VAL A 28 4.408 1.276 0.272 1.00 0.00 C ATOM 0 H VAL A 28 5.694 3.688 -1.722 1.00 0.00 H new ATOM 0 HA VAL A 28 6.910 3.394 0.945 1.00 0.00 H new ATOM 0 HB VAL A 28 5.146 2.428 1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.981 3.356 1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.277 4.576 1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.715 3.896 -0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.466 1.031 0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.243 1.374 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.131 0.482 0.456 1.00 0.00 H new ATOM 380 N ARG A 29 7.775 1.088 0.363 1.00 0.00 N ATOM 381 CA ARG A 29 8.575 -0.044 -0.101 1.00 0.00 C ATOM 382 C ARG A 29 8.383 -1.232 0.826 1.00 0.00 C ATOM 383 O ARG A 29 8.704 -1.162 2.008 1.00 0.00 O ATOM 384 CB ARG A 29 10.063 0.339 -0.138 1.00 0.00 C ATOM 385 CG ARG A 29 10.346 1.653 -0.854 1.00 0.00 C ATOM 386 CD ARG A 29 11.802 2.076 -0.716 1.00 0.00 C ATOM 387 NE ARG A 29 12.721 1.170 -1.405 1.00 0.00 N ATOM 388 CZ ARG A 29 13.957 1.510 -1.780 1.00 0.00 C ATOM 389 NH1 ARG A 29 14.424 2.729 -1.531 1.00 0.00 N ATOM 390 NH2 ARG A 29 14.726 0.627 -2.405 1.00 0.00 N ATOM 0 H ARG A 29 7.899 1.308 1.351 1.00 0.00 H new ATOM 0 HA ARG A 29 8.248 -0.312 -1.105 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.436 0.406 0.884 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.621 -0.458 -0.629 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.097 1.551 -1.910 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.702 2.433 -0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.923 3.083 -1.116 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.065 2.119 0.341 1.00 0.00 H new ATOM 0 HE ARG A 29 12.399 0.224 -1.611 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.838 3.412 -1.051 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.369 2.982 -1.820 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.373 -0.310 -2.598 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.670 0.886 -2.692 1.00 0.00 H new ATOM 404 N TRP A 30 7.901 -2.324 0.263 1.00 0.00 N ATOM 405 CA TRP A 30 7.554 -3.517 1.034 1.00 0.00 C ATOM 406 C TRP A 30 8.482 -4.679 0.693 1.00 0.00 C ATOM 407 O TRP A 30 8.977 -4.784 -0.429 1.00 0.00 O ATOM 408 CB TRP A 30 6.084 -3.910 0.784 1.00 0.00 C ATOM 409 CG TRP A 30 5.742 -4.097 -0.653 1.00 0.00 C ATOM 410 CD1 TRP A 30 5.946 -5.210 -1.390 1.00 0.00 C ATOM 411 CD2 TRP A 30 5.098 -3.161 -1.514 1.00 0.00 C ATOM 412 NE1 TRP A 30 5.523 -5.015 -2.676 1.00 0.00 N ATOM 413 CE2 TRP A 30 4.981 -3.768 -2.774 1.00 0.00 C ATOM 414 CE3 TRP A 30 4.620 -1.866 -1.345 1.00 0.00 C ATOM 415 CZ2 TRP A 30 4.401 -3.126 -3.857 1.00 0.00 C ATOM 416 CZ3 TRP A 30 4.039 -1.234 -2.420 1.00 0.00 C ATOM 417 CH2 TRP A 30 3.934 -1.861 -3.658 1.00 0.00 C ATOM 0 H TRP A 30 7.737 -2.415 -0.740 1.00 0.00 H new ATOM 0 HA TRP A 30 7.679 -3.285 2.092 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.870 -4.834 1.321 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.437 -3.140 1.204 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.382 -6.125 -1.017 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.600 -5.691 -3.436 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.703 -1.367 -0.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.322 -3.609 -4.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.657 -0.231 -2.301 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.472 -1.333 -4.479 1.00 0.00 H new ATOM 428 N SER A 31 8.723 -5.538 1.670 1.00 0.00 N ATOM 429 CA SER A 31 9.564 -6.706 1.467 1.00 0.00 C ATOM 430 C SER A 31 8.702 -7.910 1.097 1.00 0.00 C ATOM 431 O SER A 31 8.081 -8.522 1.958 1.00 0.00 O ATOM 432 CB SER A 31 10.369 -6.989 2.736 1.00 0.00 C ATOM 433 OG SER A 31 11.021 -5.813 3.196 1.00 0.00 O ATOM 0 H SER A 31 8.347 -5.448 2.614 1.00 0.00 H new ATOM 0 HA SER A 31 10.258 -6.514 0.649 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.707 -7.371 3.514 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.108 -7.765 2.537 1.00 0.00 H new ATOM 0 HG SER A 31 11.528 -6.017 4.009 1.00 0.00 H new ATOM 439 N ARG A 32 8.654 -8.220 -0.193 1.00 0.00 N ATOM 440 CA ARG A 32 7.782 -9.266 -0.726 1.00 0.00 C ATOM 441 C ARG A 32 7.969 -10.619 -0.020 1.00 0.00 C ATOM 442 O ARG A 32 9.029 -10.909 0.542 1.00 0.00 O ATOM 443 CB ARG A 32 8.024 -9.436 -2.227 1.00 0.00 C ATOM 444 CG ARG A 32 8.107 -8.124 -2.991 1.00 0.00 C ATOM 445 CD ARG A 32 9.519 -7.560 -3.012 1.00 0.00 C ATOM 446 NE ARG A 32 9.957 -7.235 -4.371 1.00 0.00 N ATOM 447 CZ ARG A 32 11.227 -7.010 -4.716 1.00 0.00 C ATOM 448 NH1 ARG A 32 12.193 -7.087 -3.809 1.00 0.00 N ATOM 449 NH2 ARG A 32 11.527 -6.709 -5.971 1.00 0.00 N ATOM 0 H ARG A 32 9.219 -7.753 -0.903 1.00 0.00 H new ATOM 0 HA ARG A 32 6.757 -8.943 -0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.951 -9.990 -2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.220 -10.040 -2.648 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.764 -8.279 -4.014 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.434 -7.397 -2.536 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.561 -6.664 -2.393 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.206 -8.284 -2.573 1.00 0.00 H new ATOM 0 HE ARG A 32 9.247 -7.177 -5.101 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.967 -7.319 -2.842 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.161 -6.914 -4.079 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.788 -6.649 -6.672 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.497 -6.537 -6.236 1.00 0.00 H new ATOM 463 N PRO A 33 6.926 -11.473 -0.074 1.00 0.00 N ATOM 464 CA PRO A 33 6.875 -12.755 0.621 1.00 0.00 C ATOM 465 C PRO A 33 7.563 -13.868 -0.159 1.00 0.00 C ATOM 466 O PRO A 33 7.900 -13.709 -1.335 1.00 0.00 O ATOM 467 CB PRO A 33 5.360 -13.051 0.708 1.00 0.00 C ATOM 468 CG PRO A 33 4.669 -11.909 0.030 1.00 0.00 C ATOM 469 CD PRO A 33 5.701 -11.267 -0.838 1.00 0.00 C ATOM 0 HA PRO A 33 7.384 -12.710 1.584 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.120 -13.996 0.220 1.00 0.00 H new ATOM 0 HB3 PRO A 33 5.040 -13.138 1.746 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.823 -12.259 -0.562 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.276 -11.201 0.760 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.752 -11.734 -1.821 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.495 -10.209 -0.998 1.00 0.00 H new ATOM 477 N GLN A 34 7.763 -14.994 0.510 1.00 0.00 N ATOM 478 CA GLN A 34 8.262 -16.197 -0.140 1.00 0.00 C ATOM 479 C GLN A 34 7.099 -16.920 -0.806 1.00 0.00 C ATOM 480 O GLN A 34 7.285 -17.794 -1.653 1.00 0.00 O ATOM 481 CB GLN A 34 8.933 -17.115 0.876 1.00 0.00 C ATOM 482 CG GLN A 34 10.017 -16.440 1.696 1.00 0.00 C ATOM 483 CD GLN A 34 10.631 -17.374 2.719 1.00 0.00 C ATOM 484 OE1 GLN A 34 10.152 -17.478 3.848 1.00 0.00 O ATOM 485 NE2 GLN A 34 11.696 -18.055 2.334 1.00 0.00 N ATOM 0 H GLN A 34 7.586 -15.100 1.509 1.00 0.00 H new ATOM 0 HA GLN A 34 9.002 -15.919 -0.890 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.174 -17.510 1.551 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.366 -17.966 0.351 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.797 -16.072 1.030 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.597 -15.573 2.205 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.061 -17.939 1.389 1.00 0.00 H new ATOM 0 HE22 GLN A 34 12.153 -18.696 2.982 1.00 0.00 H new ATOM 494 N ALA A 35 5.899 -16.536 -0.391 1.00 0.00 N ATOM 495 CA ALA A 35 4.662 -17.073 -0.936 1.00 0.00 C ATOM 496 C ALA A 35 4.559 -16.815 -2.427 1.00 0.00 C ATOM 497 O ALA A 35 4.953 -15.748 -2.899 1.00 0.00 O ATOM 498 CB ALA A 35 3.476 -16.420 -0.252 1.00 0.00 C ATOM 0 H ALA A 35 5.757 -15.838 0.339 1.00 0.00 H new ATOM 0 HA ALA A 35 4.661 -18.149 -0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.551 -16.825 -0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.517 -16.622 0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.507 -15.343 -0.419 1.00 0.00 H new ATOM 504 N PRO A 36 4.031 -17.774 -3.196 1.00 0.00 N ATOM 505 CA PRO A 36 3.734 -17.532 -4.594 1.00 0.00 C ATOM 506 C PRO A 36 2.562 -16.570 -4.714 1.00 0.00 C ATOM 507 O PRO A 36 1.426 -16.910 -4.375 1.00 0.00 O ATOM 508 CB PRO A 36 3.357 -18.915 -5.148 1.00 0.00 C ATOM 509 CG PRO A 36 3.699 -19.898 -4.074 1.00 0.00 C ATOM 510 CD PRO A 36 3.694 -19.140 -2.779 1.00 0.00 C ATOM 0 HA PRO A 36 4.568 -17.085 -5.134 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.296 -18.960 -5.395 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.907 -19.131 -6.064 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.974 -20.712 -4.049 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.676 -20.346 -4.256 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.721 -19.184 -2.289 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.424 -19.539 -2.075 1.00 0.00 H new ATOM 518 N ILE A 37 2.844 -15.386 -5.218 1.00 0.00 N ATOM 519 CA ILE A 37 1.850 -14.336 -5.336 1.00 0.00 C ATOM 520 C ILE A 37 1.731 -13.929 -6.807 1.00 0.00 C ATOM 521 O ILE A 37 2.708 -14.002 -7.552 1.00 0.00 O ATOM 522 CB ILE A 37 2.235 -13.105 -4.466 1.00 0.00 C ATOM 523 CG1 ILE A 37 3.569 -12.534 -4.946 1.00 0.00 C ATOM 524 CG2 ILE A 37 2.291 -13.448 -2.964 1.00 0.00 C ATOM 525 CD1 ILE A 37 4.323 -11.757 -3.899 1.00 0.00 C ATOM 0 H ILE A 37 3.769 -15.123 -5.558 1.00 0.00 H new ATOM 0 HA ILE A 37 0.891 -14.710 -4.977 1.00 0.00 H new ATOM 0 HB ILE A 37 1.456 -12.352 -4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.197 -13.353 -5.296 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.386 -11.885 -5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.564 -12.558 -2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.314 -13.802 -2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.035 -14.227 -2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.257 -11.387 -4.322 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.718 -10.914 -3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.541 -12.406 -3.051 1.00 0.00 H new ATOM 537 N THR A 38 0.536 -13.538 -7.229 1.00 0.00 N ATOM 538 CA THR A 38 0.290 -13.184 -8.622 1.00 0.00 C ATOM 539 C THR A 38 0.352 -11.679 -8.875 1.00 0.00 C ATOM 540 O THR A 38 0.524 -11.246 -10.017 1.00 0.00 O ATOM 541 CB THR A 38 -1.067 -13.717 -9.101 1.00 0.00 C ATOM 542 OG1 THR A 38 -2.084 -13.414 -8.140 1.00 0.00 O ATOM 543 CG2 THR A 38 -1.002 -15.207 -9.328 1.00 0.00 C ATOM 0 H THR A 38 -0.282 -13.458 -6.625 1.00 0.00 H new ATOM 0 HA THR A 38 1.093 -13.654 -9.190 1.00 0.00 H new ATOM 0 HB THR A 38 -1.313 -13.231 -10.045 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.946 -13.757 -8.456 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.974 -15.566 -9.667 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.249 -15.427 -10.085 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.736 -15.706 -8.396 1.00 0.00 H new ATOM 551 N GLY A 39 0.197 -10.876 -7.833 1.00 0.00 N ATOM 552 CA GLY A 39 0.307 -9.446 -8.004 1.00 0.00 C ATOM 553 C GLY A 39 0.254 -8.718 -6.692 1.00 0.00 C ATOM 554 O GLY A 39 0.423 -9.334 -5.652 1.00 0.00 O ATOM 0 H GLY A 39 -0.001 -11.187 -6.882 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.243 -9.212 -8.511 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.500 -9.094 -8.647 1.00 0.00 H new ATOM 558 N TYR A 40 0.020 -7.415 -6.744 1.00 0.00 N ATOM 559 CA TYR A 40 -0.192 -6.609 -5.548 1.00 0.00 C ATOM 560 C TYR A 40 -1.290 -5.593 -5.765 1.00 0.00 C ATOM 561 O TYR A 40 -1.319 -4.902 -6.785 1.00 0.00 O ATOM 562 CB TYR A 40 1.070 -5.848 -5.141 1.00 0.00 C ATOM 563 CG TYR A 40 2.010 -6.634 -4.263 1.00 0.00 C ATOM 564 CD1 TYR A 40 2.506 -7.857 -4.666 1.00 0.00 C ATOM 565 CD2 TYR A 40 2.425 -6.135 -3.040 1.00 0.00 C ATOM 566 CE1 TYR A 40 3.383 -8.564 -3.885 1.00 0.00 C ATOM 567 CE2 TYR A 40 3.297 -6.843 -2.246 1.00 0.00 C ATOM 568 CZ TYR A 40 3.775 -8.055 -2.675 1.00 0.00 C ATOM 569 OH TYR A 40 4.661 -8.752 -1.900 1.00 0.00 O ATOM 0 H TYR A 40 -0.028 -6.886 -7.615 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.469 -7.307 -4.758 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.602 -5.542 -6.042 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.779 -4.937 -4.618 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.197 -8.266 -5.617 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.059 -5.176 -2.705 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.763 -9.517 -4.222 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.604 -6.447 -1.289 1.00 0.00 H new ATOM 0 HH TYR A 40 5.559 -8.683 -2.287 1.00 0.00 H new ATOM 579 N ARG A 41 -2.195 -5.512 -4.812 1.00 0.00 N ATOM 580 CA ARG A 41 -3.141 -4.415 -4.768 1.00 0.00 C ATOM 581 C ARG A 41 -2.700 -3.454 -3.700 1.00 0.00 C ATOM 582 O ARG A 41 -2.063 -3.854 -2.743 1.00 0.00 O ATOM 583 CB ARG A 41 -4.531 -4.900 -4.440 1.00 0.00 C ATOM 584 CG ARG A 41 -4.828 -6.267 -5.014 1.00 0.00 C ATOM 585 CD ARG A 41 -4.902 -6.248 -6.531 1.00 0.00 C ATOM 586 NE ARG A 41 -5.945 -5.350 -7.018 1.00 0.00 N ATOM 587 CZ ARG A 41 -6.485 -5.421 -8.230 1.00 0.00 C ATOM 588 NH1 ARG A 41 -6.082 -6.346 -9.093 1.00 0.00 N ATOM 589 NH2 ARG A 41 -7.427 -4.562 -8.572 1.00 0.00 N ATOM 0 H ARG A 41 -2.296 -6.191 -4.058 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.168 -3.936 -5.747 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.653 -4.932 -3.357 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.259 -4.185 -4.822 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.055 -6.968 -4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.773 -6.631 -4.610 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.939 -5.938 -6.937 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.093 -7.257 -6.897 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.281 -4.622 -6.388 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.353 -7.008 -8.827 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.501 -6.394 -10.022 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.735 -3.851 -7.908 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.847 -4.609 -9.500 1.00 0.00 H new ATOM 603 N ILE A 42 -2.981 -2.191 -3.871 1.00 0.00 N ATOM 604 CA ILE A 42 -2.550 -1.211 -2.885 1.00 0.00 C ATOM 605 C ILE A 42 -3.612 -0.175 -2.608 1.00 0.00 C ATOM 606 O ILE A 42 -3.823 0.713 -3.416 1.00 0.00 O ATOM 607 CB ILE A 42 -1.271 -0.503 -3.361 1.00 0.00 C ATOM 608 CG1 ILE A 42 -0.240 -1.536 -3.796 1.00 0.00 C ATOM 609 CG2 ILE A 42 -0.711 0.385 -2.260 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.909 -0.961 -4.571 1.00 0.00 C ATOM 0 H ILE A 42 -3.496 -1.811 -4.665 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.357 -1.756 -1.961 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.514 0.130 -4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.148 -2.042 -2.912 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.734 -2.293 -4.405 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.194 0.878 -2.615 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.451 1.138 -1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.474 -0.223 -1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.599 -1.759 -4.844 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.534 -0.480 -5.475 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.430 -0.225 -3.958 1.00 0.00 H new ATOM 622 N VAL A 43 -4.224 -0.239 -1.437 1.00 0.00 N ATOM 623 CA VAL A 43 -5.260 0.722 -1.097 1.00 0.00 C ATOM 624 C VAL A 43 -4.756 1.693 -0.055 1.00 0.00 C ATOM 625 O VAL A 43 -4.536 1.334 1.097 1.00 0.00 O ATOM 626 CB VAL A 43 -6.561 0.062 -0.589 1.00 0.00 C ATOM 627 CG1 VAL A 43 -7.538 1.115 -0.111 1.00 0.00 C ATOM 628 CG2 VAL A 43 -7.197 -0.782 -1.673 1.00 0.00 C ATOM 0 H VAL A 43 -4.026 -0.934 -0.717 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.501 1.247 -2.021 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.305 -0.587 0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.449 0.632 0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.089 1.685 0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.780 1.787 -0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.111 -1.236 -1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.435 -0.153 -2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.503 -1.565 -1.978 1.00 0.00 H new ATOM 638 N TYR A 44 -4.571 2.919 -0.471 1.00 0.00 N ATOM 639 CA TYR A 44 -4.174 3.975 0.423 1.00 0.00 C ATOM 640 C TYR A 44 -5.315 4.938 0.593 1.00 0.00 C ATOM 641 O TYR A 44 -5.889 5.437 -0.384 1.00 0.00 O ATOM 642 CB TYR A 44 -2.900 4.676 -0.064 1.00 0.00 C ATOM 643 CG TYR A 44 -2.810 4.834 -1.565 1.00 0.00 C ATOM 644 CD1 TYR A 44 -2.530 3.740 -2.375 1.00 0.00 C ATOM 645 CD2 TYR A 44 -2.994 6.067 -2.171 1.00 0.00 C ATOM 646 CE1 TYR A 44 -2.441 3.864 -3.740 1.00 0.00 C ATOM 647 CE2 TYR A 44 -2.904 6.205 -3.540 1.00 0.00 C ATOM 648 CZ TYR A 44 -2.628 5.104 -4.320 1.00 0.00 C ATOM 649 OH TYR A 44 -2.540 5.246 -5.682 1.00 0.00 O ATOM 0 H TYR A 44 -4.692 3.213 -1.440 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.933 3.546 1.396 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.843 5.662 0.397 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.034 4.112 0.282 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.379 2.772 -1.921 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.211 6.932 -1.562 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.227 3.001 -4.353 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.049 7.172 -3.998 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.699 6.182 -5.924 1.00 0.00 H new ATOM 659 N SER A 45 -5.658 5.143 1.847 1.00 0.00 N ATOM 660 CA SER A 45 -6.806 5.945 2.215 1.00 0.00 C ATOM 661 C SER A 45 -6.505 6.814 3.430 1.00 0.00 C ATOM 662 O SER A 45 -5.909 6.349 4.400 1.00 0.00 O ATOM 663 CB SER A 45 -7.995 5.030 2.514 1.00 0.00 C ATOM 664 OG SER A 45 -7.660 4.045 3.482 1.00 0.00 O ATOM 0 H SER A 45 -5.148 4.758 2.642 1.00 0.00 H new ATOM 0 HA SER A 45 -7.047 6.603 1.380 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.833 5.626 2.874 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.322 4.543 1.595 1.00 0.00 H new ATOM 0 HG SER A 45 -8.440 3.477 3.654 1.00 0.00 H new ATOM 670 N PRO A 46 -6.904 8.088 3.385 1.00 0.00 N ATOM 671 CA PRO A 46 -6.802 8.991 4.530 1.00 0.00 C ATOM 672 C PRO A 46 -7.780 8.602 5.623 1.00 0.00 C ATOM 673 O PRO A 46 -8.959 8.370 5.355 1.00 0.00 O ATOM 674 CB PRO A 46 -7.181 10.352 3.969 1.00 0.00 C ATOM 675 CG PRO A 46 -7.231 10.194 2.489 1.00 0.00 C ATOM 676 CD PRO A 46 -7.498 8.749 2.220 1.00 0.00 C ATOM 0 HA PRO A 46 -5.808 8.969 4.976 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.145 10.678 4.358 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.450 11.108 4.255 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.014 10.819 2.059 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.290 10.505 2.035 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.565 8.543 2.138 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.037 8.419 1.289 1.00 0.00 H new ATOM 744 N SER A 52 -8.463 8.371 -1.796 1.00 0.00 N ATOM 745 CA SER A 52 -8.146 6.966 -1.610 1.00 0.00 C ATOM 746 C SER A 52 -7.998 6.298 -2.962 1.00 0.00 C ATOM 747 O SER A 52 -8.792 6.536 -3.873 1.00 0.00 O ATOM 748 CB SER A 52 -9.234 6.263 -0.794 1.00 0.00 C ATOM 749 OG SER A 52 -9.491 6.955 0.416 1.00 0.00 O ATOM 0 HA SER A 52 -7.208 6.890 -1.060 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.150 6.199 -1.382 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.925 5.241 -0.574 1.00 0.00 H new ATOM 0 HG SER A 52 -9.458 7.921 0.254 1.00 0.00 H new ATOM 755 N THR A 53 -6.976 5.483 -3.113 1.00 0.00 N ATOM 756 CA THR A 53 -6.719 4.848 -4.395 1.00 0.00 C ATOM 757 C THR A 53 -6.113 3.459 -4.217 1.00 0.00 C ATOM 758 O THR A 53 -5.474 3.182 -3.201 1.00 0.00 O ATOM 759 CB THR A 53 -5.787 5.729 -5.256 1.00 0.00 C ATOM 760 OG1 THR A 53 -6.354 7.040 -5.408 1.00 0.00 O ATOM 761 CG2 THR A 53 -5.552 5.121 -6.629 1.00 0.00 C ATOM 0 H THR A 53 -6.314 5.244 -2.375 1.00 0.00 H new ATOM 0 HA THR A 53 -7.675 4.736 -4.907 1.00 0.00 H new ATOM 0 HB THR A 53 -4.828 5.795 -4.742 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.757 7.593 -5.954 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.892 5.769 -7.206 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.091 4.139 -6.518 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.504 5.018 -7.149 1.00 0.00 H new ATOM 769 N GLU A 54 -6.354 2.589 -5.192 1.00 0.00 N ATOM 770 CA GLU A 54 -5.752 1.278 -5.234 1.00 0.00 C ATOM 771 C GLU A 54 -4.857 1.158 -6.464 1.00 0.00 C ATOM 772 O GLU A 54 -5.331 1.265 -7.597 1.00 0.00 O ATOM 773 CB GLU A 54 -6.826 0.191 -5.272 1.00 0.00 C ATOM 774 CG GLU A 54 -6.265 -1.217 -5.146 1.00 0.00 C ATOM 775 CD GLU A 54 -7.322 -2.284 -5.311 1.00 0.00 C ATOM 776 OE1 GLU A 54 -8.173 -2.438 -4.411 1.00 0.00 O ATOM 777 OE2 GLU A 54 -7.302 -2.986 -6.339 1.00 0.00 O ATOM 0 H GLU A 54 -6.977 2.783 -5.976 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.153 1.145 -4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.537 0.365 -4.464 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.380 0.271 -6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.488 -1.362 -5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.791 -1.329 -4.171 1.00 0.00 H new ATOM 784 N LEU A 55 -3.566 0.955 -6.244 1.00 0.00 N ATOM 785 CA LEU A 55 -2.651 0.713 -7.347 1.00 0.00 C ATOM 786 C LEU A 55 -2.434 -0.778 -7.503 1.00 0.00 C ATOM 787 O LEU A 55 -2.692 -1.552 -6.581 1.00 0.00 O ATOM 788 CB LEU A 55 -1.313 1.472 -7.187 1.00 0.00 C ATOM 789 CG LEU A 55 -1.451 2.991 -7.259 1.00 0.00 C ATOM 790 CD1 LEU A 55 -0.103 3.663 -7.444 1.00 0.00 C ATOM 791 CD2 LEU A 55 -2.406 3.406 -8.369 1.00 0.00 C ATOM 0 H LEU A 55 -3.133 0.953 -5.321 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.105 1.105 -8.257 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.866 1.203 -6.230 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.624 1.142 -7.965 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.867 3.322 -6.307 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.239 4.744 -7.491 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.546 3.415 -6.604 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.354 3.314 -8.370 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.483 4.493 -8.395 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.029 3.046 -9.326 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.390 2.977 -8.182 1.00 0.00 H new ATOM 803 N ASN A 56 -2.016 -1.180 -8.686 1.00 0.00 N ATOM 804 CA ASN A 56 -1.798 -2.583 -8.977 1.00 0.00 C ATOM 805 C ASN A 56 -0.375 -2.789 -9.445 1.00 0.00 C ATOM 806 O ASN A 56 0.002 -2.353 -10.531 1.00 0.00 O ATOM 807 CB ASN A 56 -2.785 -3.074 -10.040 1.00 0.00 C ATOM 808 CG ASN A 56 -2.562 -4.528 -10.418 1.00 0.00 C ATOM 809 OD1 ASN A 56 -1.826 -4.838 -11.357 1.00 0.00 O ATOM 810 ND2 ASN A 56 -3.200 -5.429 -9.691 1.00 0.00 N ATOM 0 H ASN A 56 -1.820 -0.552 -9.465 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.963 -3.162 -8.068 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.803 -2.951 -9.670 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.692 -2.453 -10.931 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.092 -6.422 -9.899 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.800 -5.132 -8.922 1.00 0.00 H new ATOM 817 N LEU A 57 0.412 -3.452 -8.621 1.00 0.00 N ATOM 818 CA LEU A 57 1.808 -3.663 -8.922 1.00 0.00 C ATOM 819 C LEU A 57 2.024 -5.121 -9.241 1.00 0.00 C ATOM 820 O LEU A 57 1.228 -5.969 -8.849 1.00 0.00 O ATOM 821 CB LEU A 57 2.707 -3.229 -7.745 1.00 0.00 C ATOM 822 CG LEU A 57 2.783 -1.729 -7.472 1.00 0.00 C ATOM 823 CD1 LEU A 57 4.139 -1.373 -6.903 1.00 0.00 C ATOM 824 CD2 LEU A 57 2.511 -0.922 -8.720 1.00 0.00 C ATOM 0 H LEU A 57 0.104 -3.854 -7.736 1.00 0.00 H new ATOM 0 HA LEU A 57 2.081 -3.052 -9.782 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.351 -3.724 -6.841 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.717 -3.595 -7.932 1.00 0.00 H new ATOM 0 HG LEU A 57 2.011 -1.482 -6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.183 -0.301 -6.712 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.296 -1.915 -5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.916 -1.647 -7.617 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.574 0.141 -8.487 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.250 -1.171 -9.482 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.513 -1.153 -9.093 1.00 0.00 H new ATOM 836 N PRO A 58 3.067 -5.433 -10.000 1.00 0.00 N ATOM 837 CA PRO A 58 3.420 -6.810 -10.276 1.00 0.00 C ATOM 838 C PRO A 58 3.827 -7.527 -8.995 1.00 0.00 C ATOM 839 O PRO A 58 4.339 -6.917 -8.059 1.00 0.00 O ATOM 840 CB PRO A 58 4.596 -6.711 -11.254 1.00 0.00 C ATOM 841 CG PRO A 58 5.108 -5.314 -11.137 1.00 0.00 C ATOM 842 CD PRO A 58 3.962 -4.468 -10.656 1.00 0.00 C ATOM 0 HA PRO A 58 2.589 -7.382 -10.689 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.373 -7.434 -11.005 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.275 -6.926 -12.273 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.943 -5.266 -10.438 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.476 -4.956 -12.098 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.297 -3.697 -9.962 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.466 -3.959 -11.482 1.00 0.00 H new ATOM 850 N GLU A 59 3.548 -8.821 -8.972 1.00 0.00 N ATOM 851 CA GLU A 59 3.871 -9.718 -7.853 1.00 0.00 C ATOM 852 C GLU A 59 5.278 -9.505 -7.298 1.00 0.00 C ATOM 853 O GLU A 59 5.540 -9.770 -6.126 1.00 0.00 O ATOM 854 CB GLU A 59 3.745 -11.165 -8.328 1.00 0.00 C ATOM 855 CG GLU A 59 4.544 -11.454 -9.591 1.00 0.00 C ATOM 856 CD GLU A 59 4.539 -12.916 -9.973 1.00 0.00 C ATOM 857 OE1 GLU A 59 3.551 -13.378 -10.582 1.00 0.00 O ATOM 858 OE2 GLU A 59 5.536 -13.609 -9.681 1.00 0.00 O ATOM 0 H GLU A 59 3.080 -9.296 -9.744 1.00 0.00 H new ATOM 0 HA GLU A 59 3.169 -9.494 -7.050 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.080 -11.832 -7.533 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.694 -11.390 -8.511 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.136 -10.868 -10.414 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.573 -11.126 -9.446 1.00 0.00 H new ATOM 865 N THR A 60 6.172 -9.036 -8.143 1.00 0.00 N ATOM 866 CA THR A 60 7.574 -8.911 -7.790 1.00 0.00 C ATOM 867 C THR A 60 7.948 -7.454 -7.485 1.00 0.00 C ATOM 868 O THR A 60 9.114 -7.133 -7.257 1.00 0.00 O ATOM 869 CB THR A 60 8.453 -9.481 -8.927 1.00 0.00 C ATOM 870 OG1 THR A 60 9.842 -9.425 -8.582 1.00 0.00 O ATOM 871 CG2 THR A 60 8.206 -8.731 -10.227 1.00 0.00 C ATOM 0 H THR A 60 5.950 -8.731 -9.091 1.00 0.00 H new ATOM 0 HA THR A 60 7.753 -9.487 -6.882 1.00 0.00 H new ATOM 0 HB THR A 60 8.176 -10.526 -9.068 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.032 -8.578 -8.128 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.835 -9.149 -11.013 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.158 -8.829 -10.510 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.448 -7.677 -10.091 1.00 0.00 H new ATOM 879 N ALA A 61 6.951 -6.577 -7.443 1.00 0.00 N ATOM 880 CA ALA A 61 7.190 -5.173 -7.132 1.00 0.00 C ATOM 881 C ALA A 61 7.423 -5.009 -5.643 1.00 0.00 C ATOM 882 O ALA A 61 7.022 -5.868 -4.854 1.00 0.00 O ATOM 883 CB ALA A 61 6.018 -4.314 -7.573 1.00 0.00 C ATOM 0 H ALA A 61 5.974 -6.812 -7.619 1.00 0.00 H new ATOM 0 HA ALA A 61 8.077 -4.845 -7.674 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.220 -3.271 -7.330 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.877 -4.415 -8.649 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.115 -4.638 -7.057 1.00 0.00 H new ATOM 889 N ASN A 62 8.069 -3.924 -5.252 1.00 0.00 N ATOM 890 CA ASN A 62 8.381 -3.713 -3.846 1.00 0.00 C ATOM 891 C ASN A 62 8.239 -2.258 -3.434 1.00 0.00 C ATOM 892 O ASN A 62 8.767 -1.863 -2.402 1.00 0.00 O ATOM 893 CB ASN A 62 9.801 -4.187 -3.527 1.00 0.00 C ATOM 894 CG ASN A 62 10.880 -3.330 -4.163 1.00 0.00 C ATOM 895 OD1 ASN A 62 10.696 -2.766 -5.241 1.00 0.00 O ATOM 896 ND2 ASN A 62 12.017 -3.231 -3.497 1.00 0.00 N ATOM 0 H ASN A 62 8.385 -3.183 -5.878 1.00 0.00 H new ATOM 0 HA ASN A 62 7.658 -4.300 -3.279 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.941 -4.191 -2.446 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.917 -5.216 -3.867 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.782 -2.671 -3.874 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.130 -3.714 -2.606 1.00 0.00 H new ATOM 903 N SER A 63 7.529 -1.459 -4.215 1.00 0.00 N ATOM 904 CA SER A 63 7.348 -0.061 -3.860 1.00 0.00 C ATOM 905 C SER A 63 6.304 0.616 -4.745 1.00 0.00 C ATOM 906 O SER A 63 6.323 0.465 -5.965 1.00 0.00 O ATOM 907 CB SER A 63 8.686 0.680 -3.969 1.00 0.00 C ATOM 908 OG SER A 63 9.296 0.452 -5.229 1.00 0.00 O ATOM 0 H SER A 63 7.077 -1.747 -5.083 1.00 0.00 H new ATOM 0 HA SER A 63 6.988 -0.021 -2.832 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.526 1.749 -3.827 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.354 0.350 -3.173 1.00 0.00 H new ATOM 0 HG SER A 63 8.603 0.323 -5.910 1.00 0.00 H new ATOM 914 N VAL A 64 5.407 1.368 -4.125 1.00 0.00 N ATOM 915 CA VAL A 64 4.396 2.122 -4.864 1.00 0.00 C ATOM 916 C VAL A 64 4.580 3.618 -4.644 1.00 0.00 C ATOM 917 O VAL A 64 4.870 4.062 -3.520 1.00 0.00 O ATOM 918 CB VAL A 64 2.945 1.738 -4.473 1.00 0.00 C ATOM 919 CG1 VAL A 64 2.739 1.818 -2.987 1.00 0.00 C ATOM 920 CG2 VAL A 64 1.955 2.615 -5.181 1.00 0.00 C ATOM 0 H VAL A 64 5.356 1.475 -3.112 1.00 0.00 H new ATOM 0 HA VAL A 64 4.539 1.867 -5.914 1.00 0.00 H new ATOM 0 HB VAL A 64 2.784 0.705 -4.782 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.712 1.543 -2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.424 1.134 -2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.931 2.836 -2.647 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.944 2.329 -4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.130 3.656 -4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.071 2.499 -6.259 1.00 0.00 H new ATOM 930 N THR A 65 4.450 4.378 -5.724 1.00 0.00 N ATOM 931 CA THR A 65 4.372 5.808 -5.657 1.00 0.00 C ATOM 932 C THR A 65 2.905 6.244 -5.693 1.00 0.00 C ATOM 933 O THR A 65 2.265 6.247 -6.746 1.00 0.00 O ATOM 934 CB THR A 65 5.133 6.403 -6.844 1.00 0.00 C ATOM 935 OG1 THR A 65 6.522 6.057 -6.747 1.00 0.00 O ATOM 936 CG2 THR A 65 4.976 7.917 -6.920 1.00 0.00 C ATOM 0 H THR A 65 4.397 4.004 -6.672 1.00 0.00 H new ATOM 0 HA THR A 65 4.818 6.164 -4.728 1.00 0.00 H new ATOM 0 HB THR A 65 4.710 5.985 -7.757 1.00 0.00 H new ATOM 0 HG1 THR A 65 7.008 6.437 -7.509 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.532 8.298 -7.777 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.921 8.168 -7.031 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.362 8.369 -6.007 1.00 0.00 H new ATOM 944 N LEU A 66 2.382 6.569 -4.529 1.00 0.00 N ATOM 945 CA LEU A 66 1.013 7.032 -4.384 1.00 0.00 C ATOM 946 C LEU A 66 0.949 8.496 -4.753 1.00 0.00 C ATOM 947 O LEU A 66 1.883 9.244 -4.458 1.00 0.00 O ATOM 948 CB LEU A 66 0.540 6.879 -2.948 1.00 0.00 C ATOM 949 CG LEU A 66 1.327 5.897 -2.103 1.00 0.00 C ATOM 950 CD1 LEU A 66 1.181 6.238 -0.648 1.00 0.00 C ATOM 951 CD2 LEU A 66 0.850 4.489 -2.379 1.00 0.00 C ATOM 0 H LEU A 66 2.896 6.520 -3.650 1.00 0.00 H new ATOM 0 HA LEU A 66 0.374 6.436 -5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.575 7.856 -2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.504 6.567 -2.959 1.00 0.00 H new ATOM 0 HG LEU A 66 2.384 5.961 -2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.750 5.527 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.558 7.245 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.129 6.190 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.418 3.786 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.209 4.409 -2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.996 4.255 -3.434 1.00 0.00 H new ATOM 963 N SER A 67 -0.149 8.915 -5.351 1.00 0.00 N ATOM 964 CA SER A 67 -0.250 10.269 -5.849 1.00 0.00 C ATOM 965 C SER A 67 -1.645 10.820 -5.598 1.00 0.00 C ATOM 966 O SER A 67 -2.524 10.101 -5.115 1.00 0.00 O ATOM 967 CB SER A 67 0.087 10.302 -7.343 1.00 0.00 C ATOM 968 OG SER A 67 0.298 11.629 -7.798 1.00 0.00 O ATOM 0 H SER A 67 -0.978 8.340 -5.502 1.00 0.00 H new ATOM 0 HA SER A 67 0.465 10.898 -5.318 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.980 9.706 -7.529 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.724 9.846 -7.910 1.00 0.00 H new ATOM 0 HG SER A 67 0.513 11.617 -8.754 1.00 0.00 H new ATOM 974 N ASP A 68 -1.823 12.101 -5.904 1.00 0.00 N ATOM 975 CA ASP A 68 -3.097 12.791 -5.732 1.00 0.00 C ATOM 976 C ASP A 68 -3.509 12.832 -4.269 1.00 0.00 C ATOM 977 O ASP A 68 -4.695 12.898 -3.952 1.00 0.00 O ATOM 978 CB ASP A 68 -4.200 12.146 -6.579 1.00 0.00 C ATOM 979 CG ASP A 68 -3.965 12.316 -8.065 1.00 0.00 C ATOM 980 OD1 ASP A 68 -4.178 13.436 -8.579 1.00 0.00 O ATOM 981 OD2 ASP A 68 -3.569 11.330 -8.727 1.00 0.00 O ATOM 0 H ASP A 68 -1.083 12.693 -6.281 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.958 13.816 -6.077 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.260 11.083 -6.343 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.161 12.586 -6.314 1.00 0.00 H new ATOM 986 N LEU A 69 -2.522 12.794 -3.378 1.00 0.00 N ATOM 987 CA LEU A 69 -2.786 12.887 -1.947 1.00 0.00 C ATOM 988 C LEU A 69 -3.137 14.323 -1.577 1.00 0.00 C ATOM 989 O LEU A 69 -3.238 15.191 -2.440 1.00 0.00 O ATOM 990 CB LEU A 69 -1.584 12.452 -1.100 1.00 0.00 C ATOM 991 CG LEU A 69 -0.789 11.248 -1.581 1.00 0.00 C ATOM 992 CD1 LEU A 69 0.380 11.014 -0.653 1.00 0.00 C ATOM 993 CD2 LEU A 69 -1.679 10.025 -1.608 1.00 0.00 C ATOM 0 H LEU A 69 -1.536 12.700 -3.621 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.617 12.214 -1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.901 13.298 -1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.941 12.239 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.417 11.437 -2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.950 10.151 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.022 11.895 -0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.012 10.827 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.105 9.165 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.059 9.829 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.515 10.199 -2.285 1.00 0.00 H new ATOM 1005 N GLN A 70 -3.328 14.566 -0.294 1.00 0.00 N ATOM 1006 CA GLN A 70 -3.625 15.900 0.190 1.00 0.00 C ATOM 1007 C GLN A 70 -2.694 16.227 1.353 1.00 0.00 C ATOM 1008 O GLN A 70 -2.638 15.472 2.322 1.00 0.00 O ATOM 1009 CB GLN A 70 -5.091 15.990 0.627 1.00 0.00 C ATOM 1010 CG GLN A 70 -5.525 17.386 1.046 1.00 0.00 C ATOM 1011 CD GLN A 70 -5.393 18.401 -0.073 1.00 0.00 C ATOM 1012 OE1 GLN A 70 -5.520 18.069 -1.251 1.00 0.00 O ATOM 1013 NE2 GLN A 70 -5.125 19.644 0.286 1.00 0.00 N ATOM 0 H GLN A 70 -3.282 13.853 0.434 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.467 16.624 -0.609 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.726 15.654 -0.193 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.255 15.304 1.458 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.562 17.354 1.382 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.924 17.709 1.896 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.027 19.880 1.274 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -5.016 20.368 -0.424 1.00 0.00 H new ATOM 1022 N PRO A 71 -1.927 17.328 1.252 1.00 0.00 N ATOM 1023 CA PRO A 71 -0.957 17.725 2.284 1.00 0.00 C ATOM 1024 C PRO A 71 -1.608 18.023 3.633 1.00 0.00 C ATOM 1025 O PRO A 71 -2.614 18.731 3.708 1.00 0.00 O ATOM 1026 CB PRO A 71 -0.311 18.986 1.715 1.00 0.00 C ATOM 1027 CG PRO A 71 -1.260 19.485 0.682 1.00 0.00 C ATOM 1028 CD PRO A 71 -1.939 18.269 0.121 1.00 0.00 C ATOM 0 HA PRO A 71 -0.249 16.922 2.488 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.151 19.731 2.494 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.664 18.766 1.279 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.986 20.171 1.118 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -0.733 20.033 -0.099 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.954 18.490 -0.208 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.404 17.870 -0.741 1.00 0.00 H new ATOM 1036 N GLY A 72 -1.021 17.481 4.693 1.00 0.00 N ATOM 1037 CA GLY A 72 -1.561 17.666 6.024 1.00 0.00 C ATOM 1038 C GLY A 72 -2.599 16.619 6.359 1.00 0.00 C ATOM 1039 O GLY A 72 -3.477 16.844 7.192 1.00 0.00 O ATOM 0 H GLY A 72 -0.175 16.913 4.652 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.752 17.623 6.754 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.007 18.658 6.101 1.00 0.00 H new ATOM 1043 N VAL A 73 -2.497 15.471 5.706 1.00 0.00 N ATOM 1044 CA VAL A 73 -3.466 14.398 5.875 1.00 0.00 C ATOM 1045 C VAL A 73 -2.764 13.068 6.130 1.00 0.00 C ATOM 1046 O VAL A 73 -1.715 12.782 5.550 1.00 0.00 O ATOM 1047 CB VAL A 73 -4.369 14.273 4.630 1.00 0.00 C ATOM 1048 CG1 VAL A 73 -5.327 13.121 4.750 1.00 0.00 C ATOM 1049 CG2 VAL A 73 -5.173 15.524 4.386 1.00 0.00 C ATOM 0 H VAL A 73 -1.747 15.258 5.049 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.084 14.645 6.739 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.692 14.106 3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.945 13.067 3.854 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.767 12.192 4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.965 13.267 5.622 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.794 15.391 3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.809 15.721 5.249 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.498 16.366 4.233 1.00 0.00 H new ATOM 1059 N GLN A 74 -3.361 12.258 6.995 1.00 0.00 N ATOM 1060 CA GLN A 74 -2.803 10.989 7.391 1.00 0.00 C ATOM 1061 C GLN A 74 -3.220 9.907 6.406 1.00 0.00 C ATOM 1062 O GLN A 74 -4.384 9.497 6.376 1.00 0.00 O ATOM 1063 CB GLN A 74 -3.322 10.668 8.779 1.00 0.00 C ATOM 1064 CG GLN A 74 -2.861 9.331 9.326 1.00 0.00 C ATOM 1065 CD GLN A 74 -1.515 9.421 10.019 1.00 0.00 C ATOM 1066 OE1 GLN A 74 -1.448 9.658 11.224 1.00 0.00 O ATOM 1067 NE2 GLN A 74 -0.436 9.246 9.271 1.00 0.00 N ATOM 0 H GLN A 74 -4.253 12.473 7.440 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.714 11.035 7.398 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.006 11.455 9.463 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.412 10.682 8.759 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.604 8.954 10.029 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.799 8.610 8.511 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.532 9.051 8.274 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.491 9.306 9.692 1.00 0.00 H new ATOM 1076 N TYR A 75 -2.280 9.458 5.591 1.00 0.00 N ATOM 1077 CA TYR A 75 -2.570 8.458 4.581 1.00 0.00 C ATOM 1078 C TYR A 75 -2.161 7.068 5.034 1.00 0.00 C ATOM 1079 O TYR A 75 -0.996 6.816 5.338 1.00 0.00 O ATOM 1080 CB TYR A 75 -1.887 8.825 3.263 1.00 0.00 C ATOM 1081 CG TYR A 75 -2.737 9.739 2.413 1.00 0.00 C ATOM 1082 CD1 TYR A 75 -2.736 11.113 2.604 1.00 0.00 C ATOM 1083 CD2 TYR A 75 -3.571 9.215 1.438 1.00 0.00 C ATOM 1084 CE1 TYR A 75 -3.545 11.939 1.844 1.00 0.00 C ATOM 1085 CE2 TYR A 75 -4.373 10.033 0.672 1.00 0.00 C ATOM 1086 CZ TYR A 75 -4.361 11.392 0.880 1.00 0.00 C ATOM 1087 OH TYR A 75 -5.182 12.209 0.127 1.00 0.00 O ATOM 0 H TYR A 75 -1.309 9.771 5.610 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.649 8.442 4.425 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.934 9.310 3.473 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.666 7.915 2.705 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.094 11.545 3.358 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.593 8.147 1.276 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.536 13.007 2.006 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -5.009 9.608 -0.090 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.691 11.664 -0.509 1.00 0.00 H new ATOM 1097 N ASN A 76 -3.139 6.179 5.097 1.00 0.00 N ATOM 1098 CA ASN A 76 -2.902 4.791 5.454 1.00 0.00 C ATOM 1099 C ASN A 76 -2.684 3.976 4.193 1.00 0.00 C ATOM 1100 O ASN A 76 -3.616 3.764 3.418 1.00 0.00 O ATOM 1101 CB ASN A 76 -4.095 4.216 6.227 1.00 0.00 C ATOM 1102 CG ASN A 76 -4.440 5.010 7.471 1.00 0.00 C ATOM 1103 OD1 ASN A 76 -5.213 5.968 7.412 1.00 0.00 O ATOM 1104 ND2 ASN A 76 -3.892 4.608 8.606 1.00 0.00 N ATOM 0 H ASN A 76 -4.116 6.399 4.903 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.018 4.743 6.089 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.965 4.186 5.570 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.874 3.187 6.510 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.105 5.096 9.476 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.257 3.810 8.611 1.00 0.00 H new ATOM 1111 N ILE A 77 -1.456 3.542 3.978 1.00 0.00 N ATOM 1112 CA ILE A 77 -1.136 2.719 2.826 1.00 0.00 C ATOM 1113 C ILE A 77 -1.263 1.262 3.193 1.00 0.00 C ATOM 1114 O ILE A 77 -0.555 0.759 4.067 1.00 0.00 O ATOM 1115 CB ILE A 77 0.286 2.972 2.285 1.00 0.00 C ATOM 1116 CG1 ILE A 77 0.476 4.413 1.839 1.00 0.00 C ATOM 1117 CG2 ILE A 77 0.614 2.051 1.122 1.00 0.00 C ATOM 1118 CD1 ILE A 77 0.872 5.367 2.945 1.00 0.00 C ATOM 0 H ILE A 77 -0.663 3.746 4.586 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.842 2.988 2.041 1.00 0.00 H new ATOM 0 HB ILE A 77 0.965 2.765 3.112 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.240 4.441 1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.452 4.765 1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.624 2.258 0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.551 1.014 1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.097 2.219 0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.985 6.371 2.536 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.099 5.373 3.714 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.817 5.045 3.383 1.00 0.00 H new ATOM 1130 N THR A 78 -2.184 0.602 2.542 1.00 0.00 N ATOM 1131 CA THR A 78 -2.418 -0.786 2.776 1.00 0.00 C ATOM 1132 C THR A 78 -1.940 -1.615 1.587 1.00 0.00 C ATOM 1133 O THR A 78 -2.470 -1.488 0.474 1.00 0.00 O ATOM 1134 CB THR A 78 -3.907 -1.019 3.031 1.00 0.00 C ATOM 1135 OG1 THR A 78 -4.341 -0.215 4.140 1.00 0.00 O ATOM 1136 CG2 THR A 78 -4.191 -2.479 3.324 1.00 0.00 C ATOM 0 H THR A 78 -2.790 1.018 1.835 1.00 0.00 H new ATOM 0 HA THR A 78 -1.855 -1.100 3.655 1.00 0.00 H new ATOM 0 HB THR A 78 -4.453 -0.736 2.131 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.296 -0.366 4.299 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.258 -2.614 3.501 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.885 -3.087 2.473 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.635 -2.787 4.209 1.00 0.00 H new ATOM 1144 N ILE A 79 -0.935 -2.457 1.824 1.00 0.00 N ATOM 1145 CA ILE A 79 -0.388 -3.290 0.748 1.00 0.00 C ATOM 1146 C ILE A 79 -1.053 -4.659 0.778 1.00 0.00 C ATOM 1147 O ILE A 79 -1.318 -5.209 1.843 1.00 0.00 O ATOM 1148 CB ILE A 79 1.154 -3.522 0.809 1.00 0.00 C ATOM 1149 CG1 ILE A 79 1.977 -2.259 1.025 1.00 0.00 C ATOM 1150 CG2 ILE A 79 1.644 -4.151 -0.470 1.00 0.00 C ATOM 1151 CD1 ILE A 79 1.605 -1.099 0.142 1.00 0.00 C ATOM 0 H ILE A 79 -0.488 -2.581 2.733 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.594 -2.735 -0.168 1.00 0.00 H new ATOM 0 HB ILE A 79 1.296 -4.171 1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.876 -1.951 2.066 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.028 -2.497 0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.721 -4.306 -0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.147 -5.110 -0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.418 -3.493 -1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.246 -0.248 0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.735 -1.381 -0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.564 -0.827 0.318 1.00 0.00 H new ATOM 1163 N TYR A 80 -1.324 -5.194 -0.390 1.00 0.00 N ATOM 1164 CA TYR A 80 -1.931 -6.500 -0.521 1.00 0.00 C ATOM 1165 C TYR A 80 -1.117 -7.356 -1.481 1.00 0.00 C ATOM 1166 O TYR A 80 -1.092 -7.077 -2.685 1.00 0.00 O ATOM 1167 CB TYR A 80 -3.348 -6.380 -1.094 1.00 0.00 C ATOM 1168 CG TYR A 80 -4.289 -5.457 -0.347 1.00 0.00 C ATOM 1169 CD1 TYR A 80 -5.065 -5.938 0.697 1.00 0.00 C ATOM 1170 CD2 TYR A 80 -4.433 -4.115 -0.711 1.00 0.00 C ATOM 1171 CE1 TYR A 80 -5.959 -5.121 1.358 1.00 0.00 C ATOM 1172 CE2 TYR A 80 -5.321 -3.294 -0.044 1.00 0.00 C ATOM 1173 CZ TYR A 80 -6.083 -3.801 0.985 1.00 0.00 C ATOM 1174 OH TYR A 80 -6.980 -2.986 1.638 1.00 0.00 O ATOM 0 H TYR A 80 -1.129 -4.735 -1.280 1.00 0.00 H new ATOM 0 HA TYR A 80 -1.964 -6.954 0.469 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.274 -6.034 -2.125 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.793 -7.375 -1.123 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.968 -6.971 0.998 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.843 -3.716 -1.523 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -6.559 -5.515 2.165 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.418 -2.257 -0.329 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.265 -3.415 2.471 1.00 0.00 H new ATOM 1184 N ALA A 81 -0.468 -8.394 -0.970 1.00 0.00 N ATOM 1185 CA ALA A 81 0.116 -9.399 -1.841 1.00 0.00 C ATOM 1186 C ALA A 81 -1.017 -10.300 -2.283 1.00 0.00 C ATOM 1187 O ALA A 81 -1.714 -10.871 -1.446 1.00 0.00 O ATOM 1188 CB ALA A 81 1.217 -10.203 -1.134 1.00 0.00 C ATOM 0 H ALA A 81 -0.335 -8.559 0.028 1.00 0.00 H new ATOM 0 HA ALA A 81 0.598 -8.924 -2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.626 -10.943 -1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.011 -9.529 -0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.797 -10.709 -0.265 1.00 0.00 H new ATOM 1194 N VAL A 82 -1.255 -10.364 -3.579 1.00 0.00 N ATOM 1195 CA VAL A 82 -2.357 -11.181 -4.082 1.00 0.00 C ATOM 1196 C VAL A 82 -1.818 -12.426 -4.744 1.00 0.00 C ATOM 1197 O VAL A 82 -0.868 -12.351 -5.516 1.00 0.00 O ATOM 1198 CB VAL A 82 -3.295 -10.425 -5.065 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -2.561 -9.906 -6.278 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -4.436 -11.321 -5.511 1.00 0.00 C ATOM 0 H VAL A 82 -0.717 -9.874 -4.294 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.963 -11.444 -3.215 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.690 -9.567 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.261 -9.386 -6.932 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.779 -9.216 -5.962 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.112 -10.741 -6.817 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.081 -10.774 -6.198 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.033 -12.200 -6.014 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.014 -11.634 -4.642 1.00 0.00 H new ATOM 1210 N GLU A 83 -2.412 -13.565 -4.422 1.00 0.00 N ATOM 1211 CA GLU A 83 -1.970 -14.835 -4.952 1.00 0.00 C ATOM 1212 C GLU A 83 -3.008 -15.389 -5.910 1.00 0.00 C ATOM 1213 O GLU A 83 -4.117 -14.861 -6.015 1.00 0.00 O ATOM 1214 CB GLU A 83 -1.695 -15.866 -3.851 1.00 0.00 C ATOM 1215 CG GLU A 83 -1.143 -15.304 -2.560 1.00 0.00 C ATOM 1216 CD GLU A 83 -2.204 -14.680 -1.677 1.00 0.00 C ATOM 1217 OE1 GLU A 83 -2.933 -15.432 -0.998 1.00 0.00 O ATOM 1218 OE2 GLU A 83 -2.317 -13.447 -1.662 1.00 0.00 O ATOM 0 H GLU A 83 -3.209 -13.630 -3.789 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.032 -14.651 -5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.623 -16.393 -3.631 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.992 -16.605 -4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.644 -16.101 -2.009 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.386 -14.555 -2.792 1.00 0.00 H new ATOM 1225 N GLU A 84 -2.622 -16.444 -6.607 1.00 0.00 N ATOM 1226 CA GLU A 84 -3.425 -17.055 -7.660 1.00 0.00 C ATOM 1227 C GLU A 84 -4.899 -17.195 -7.272 1.00 0.00 C ATOM 1228 O GLU A 84 -5.785 -16.837 -8.047 1.00 0.00 O ATOM 1229 CB GLU A 84 -2.836 -18.426 -7.995 1.00 0.00 C ATOM 1230 CG GLU A 84 -1.347 -18.375 -8.306 1.00 0.00 C ATOM 1231 CD GLU A 84 -0.728 -19.744 -8.454 1.00 0.00 C ATOM 1232 OE1 GLU A 84 -0.373 -20.349 -7.420 1.00 0.00 O ATOM 1233 OE2 GLU A 84 -0.578 -20.217 -9.599 1.00 0.00 O ATOM 0 H GLU A 84 -1.727 -16.910 -6.457 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.394 -16.400 -8.531 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.003 -19.102 -7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.366 -18.843 -8.851 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.193 -17.811 -9.226 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.834 -17.834 -7.511 1.00 0.00 H new ATOM 1240 N ASN A 85 -5.164 -17.696 -6.074 1.00 0.00 N ATOM 1241 CA ASN A 85 -6.538 -17.968 -5.666 1.00 0.00 C ATOM 1242 C ASN A 85 -6.905 -17.276 -4.357 1.00 0.00 C ATOM 1243 O ASN A 85 -7.999 -17.489 -3.833 1.00 0.00 O ATOM 1244 CB ASN A 85 -6.757 -19.478 -5.510 1.00 0.00 C ATOM 1245 CG ASN A 85 -6.504 -20.248 -6.791 1.00 0.00 C ATOM 1246 OD1 ASN A 85 -7.405 -20.422 -7.613 1.00 0.00 O ATOM 1247 ND2 ASN A 85 -5.283 -20.725 -6.966 1.00 0.00 N ATOM 0 H ASN A 85 -4.457 -17.921 -5.374 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.182 -17.571 -6.450 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -6.098 -19.856 -4.729 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.780 -19.659 -5.180 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -5.060 -21.259 -7.806 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.565 -20.559 -6.261 1.00 0.00 H new ATOM 1254 N GLN A 86 -6.017 -16.438 -3.828 1.00 0.00 N ATOM 1255 CA GLN A 86 -6.231 -15.859 -2.504 1.00 0.00 C ATOM 1256 C GLN A 86 -5.641 -14.457 -2.398 1.00 0.00 C ATOM 1257 O GLN A 86 -5.052 -13.946 -3.351 1.00 0.00 O ATOM 1258 CB GLN A 86 -5.622 -16.753 -1.419 1.00 0.00 C ATOM 1259 CG GLN A 86 -6.325 -18.089 -1.239 1.00 0.00 C ATOM 1260 CD GLN A 86 -5.673 -18.955 -0.179 1.00 0.00 C ATOM 1261 OE1 GLN A 86 -5.716 -20.184 -0.254 1.00 0.00 O ATOM 1262 NE2 GLN A 86 -5.066 -18.329 0.816 1.00 0.00 N ATOM 0 H GLN A 86 -5.154 -16.148 -4.288 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.309 -15.789 -2.355 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -4.575 -16.937 -1.662 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.640 -16.216 -0.471 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.366 -17.913 -0.969 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.328 -18.624 -2.188 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.051 -17.309 0.844 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.613 -18.866 1.555 1.00 0.00 H new ATOM 1271 N GLU A 87 -5.846 -13.840 -1.238 1.00 0.00 N ATOM 1272 CA GLU A 87 -5.292 -12.528 -0.926 1.00 0.00 C ATOM 1273 C GLU A 87 -4.663 -12.567 0.466 1.00 0.00 C ATOM 1274 O GLU A 87 -5.324 -12.949 1.438 1.00 0.00 O ATOM 1275 CB GLU A 87 -6.394 -11.465 -0.953 1.00 0.00 C ATOM 1276 CG GLU A 87 -7.106 -11.337 -2.289 1.00 0.00 C ATOM 1277 CD GLU A 87 -8.324 -10.446 -2.201 1.00 0.00 C ATOM 1278 OE1 GLU A 87 -8.179 -9.213 -2.336 1.00 0.00 O ATOM 1279 OE2 GLU A 87 -9.435 -10.972 -1.977 1.00 0.00 O ATOM 0 H GLU A 87 -6.405 -14.239 -0.484 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.538 -12.274 -1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.129 -11.701 -0.184 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.959 -10.500 -0.693 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.416 -10.934 -3.030 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.405 -12.326 -2.636 1.00 0.00 H new ATOM 1286 N SER A 88 -3.391 -12.207 0.563 1.00 0.00 N ATOM 1287 CA SER A 88 -2.682 -12.249 1.839 1.00 0.00 C ATOM 1288 C SER A 88 -3.173 -11.158 2.791 1.00 0.00 C ATOM 1289 O SER A 88 -3.950 -10.278 2.402 1.00 0.00 O ATOM 1290 CB SER A 88 -1.174 -12.102 1.614 1.00 0.00 C ATOM 1291 OG SER A 88 -0.870 -10.844 1.045 1.00 0.00 O ATOM 0 H SER A 88 -2.828 -11.883 -0.223 1.00 0.00 H new ATOM 0 HA SER A 88 -2.887 -13.216 2.298 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.648 -12.214 2.562 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.821 -12.898 0.958 1.00 0.00 H new ATOM 0 HG SER A 88 -1.348 -10.745 0.195 1.00 0.00 H new ATOM 1297 N THR A 89 -2.733 -11.234 4.045 1.00 0.00 N ATOM 1298 CA THR A 89 -3.049 -10.212 5.034 1.00 0.00 C ATOM 1299 C THR A 89 -2.505 -8.849 4.599 1.00 0.00 C ATOM 1300 O THR A 89 -1.540 -8.767 3.843 1.00 0.00 O ATOM 1301 CB THR A 89 -2.480 -10.581 6.419 1.00 0.00 C ATOM 1302 OG1 THR A 89 -1.113 -10.988 6.301 1.00 0.00 O ATOM 1303 CG2 THR A 89 -3.295 -11.692 7.062 1.00 0.00 C ATOM 0 H THR A 89 -2.155 -11.996 4.399 1.00 0.00 H new ATOM 0 HA THR A 89 -4.135 -10.154 5.109 1.00 0.00 H new ATOM 0 HB THR A 89 -2.537 -9.697 7.054 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.763 -11.218 7.187 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.874 -11.934 8.038 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.327 -11.363 7.184 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.269 -12.577 6.426 1.00 0.00 H new ATOM 1311 N PRO A 90 -3.133 -7.761 5.049 1.00 0.00 N ATOM 1312 CA PRO A 90 -2.764 -6.414 4.622 1.00 0.00 C ATOM 1313 C PRO A 90 -1.587 -5.798 5.389 1.00 0.00 C ATOM 1314 O PRO A 90 -1.401 -6.029 6.586 1.00 0.00 O ATOM 1315 CB PRO A 90 -4.041 -5.626 4.897 1.00 0.00 C ATOM 1316 CG PRO A 90 -4.659 -6.302 6.072 1.00 0.00 C ATOM 1317 CD PRO A 90 -4.279 -7.751 5.981 1.00 0.00 C ATOM 0 HA PRO A 90 -2.421 -6.410 3.587 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.822 -4.580 5.112 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.709 -5.641 4.035 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.300 -5.865 7.004 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.743 -6.184 6.061 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.004 -8.154 6.956 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.104 -8.357 5.606 1.00 0.00 H new ATOM 1325 N VAL A 91 -0.791 -5.030 4.656 1.00 0.00 N ATOM 1326 CA VAL A 91 0.167 -4.092 5.224 1.00 0.00 C ATOM 1327 C VAL A 91 -0.568 -2.813 5.546 1.00 0.00 C ATOM 1328 O VAL A 91 -1.249 -2.296 4.673 1.00 0.00 O ATOM 1329 CB VAL A 91 1.233 -3.698 4.197 1.00 0.00 C ATOM 1330 CG1 VAL A 91 1.910 -2.408 4.626 1.00 0.00 C ATOM 1331 CG2 VAL A 91 2.253 -4.796 3.990 1.00 0.00 C ATOM 0 H VAL A 91 -0.793 -5.042 3.636 1.00 0.00 H new ATOM 0 HA VAL A 91 0.627 -4.564 6.092 1.00 0.00 H new ATOM 0 HB VAL A 91 0.736 -3.541 3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.667 -2.133 3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.167 -1.613 4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.382 -2.551 5.598 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.990 -4.474 3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.753 -5.011 4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.752 -5.695 3.632 1.00 0.00 H new ATOM 1341 N VAL A 92 -0.433 -2.291 6.754 1.00 0.00 N ATOM 1342 CA VAL A 92 -1.005 -0.989 7.052 1.00 0.00 C ATOM 1343 C VAL A 92 0.070 -0.056 7.596 1.00 0.00 C ATOM 1344 O VAL A 92 0.531 -0.215 8.726 1.00 0.00 O ATOM 1345 CB VAL A 92 -2.172 -1.071 8.057 1.00 0.00 C ATOM 1346 CG1 VAL A 92 -2.994 0.209 8.007 1.00 0.00 C ATOM 1347 CG2 VAL A 92 -3.049 -2.286 7.786 1.00 0.00 C ATOM 0 H VAL A 92 0.057 -2.737 7.529 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.404 -0.597 6.116 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.755 -1.183 9.058 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.816 0.142 8.720 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.361 1.058 8.262 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.395 0.345 7.003 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.863 -2.316 8.511 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.462 -2.219 6.779 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.451 -3.193 7.874 1.00 0.00 H new ATOM 1357 N ILE A 93 0.482 0.898 6.775 1.00 0.00 N ATOM 1358 CA ILE A 93 1.494 1.873 7.165 1.00 0.00 C ATOM 1359 C ILE A 93 0.965 3.289 6.971 1.00 0.00 C ATOM 1360 O ILE A 93 0.712 3.719 5.848 1.00 0.00 O ATOM 1361 CB ILE A 93 2.807 1.688 6.363 1.00 0.00 C ATOM 1362 CG1 ILE A 93 2.522 1.514 4.876 1.00 0.00 C ATOM 1363 CG2 ILE A 93 3.585 0.494 6.892 1.00 0.00 C ATOM 1364 CD1 ILE A 93 3.741 1.727 4.018 1.00 0.00 C ATOM 0 H ILE A 93 0.129 1.020 5.826 1.00 0.00 H new ATOM 0 HA ILE A 93 1.718 1.710 8.219 1.00 0.00 H new ATOM 0 HB ILE A 93 3.409 2.588 6.490 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.131 0.512 4.701 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.745 2.217 4.575 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.505 0.376 6.319 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.830 0.655 7.942 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.979 -0.407 6.795 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.476 1.590 2.970 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.119 2.738 4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.511 1.007 4.295 1.00 0.00 H new ATOM 1376 N GLN A 94 0.775 4.009 8.066 1.00 0.00 N ATOM 1377 CA GLN A 94 0.203 5.345 7.992 1.00 0.00 C ATOM 1378 C GLN A 94 1.280 6.422 8.043 1.00 0.00 C ATOM 1379 O GLN A 94 2.109 6.462 8.953 1.00 0.00 O ATOM 1380 CB GLN A 94 -0.826 5.567 9.103 1.00 0.00 C ATOM 1381 CG GLN A 94 -0.280 5.392 10.508 1.00 0.00 C ATOM 1382 CD GLN A 94 -1.330 5.654 11.565 1.00 0.00 C ATOM 1383 OE1 GLN A 94 -1.483 6.779 12.044 1.00 0.00 O ATOM 1384 NE2 GLN A 94 -2.072 4.622 11.927 1.00 0.00 N ATOM 0 H GLN A 94 1.006 3.695 9.008 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.304 5.424 7.030 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.234 6.573 9.008 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.654 4.872 8.959 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.104 4.378 10.623 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.560 6.070 10.657 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.913 3.707 11.506 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.804 4.741 12.628 1.00 0.00 H new ATOM 1393 N GLN A 95 1.263 7.285 7.044 1.00 0.00 N ATOM 1394 CA GLN A 95 2.167 8.413 6.985 1.00 0.00 C ATOM 1395 C GLN A 95 1.380 9.675 6.658 1.00 0.00 C ATOM 1396 O GLN A 95 0.612 9.702 5.695 1.00 0.00 O ATOM 1397 CB GLN A 95 3.244 8.169 5.923 1.00 0.00 C ATOM 1398 CG GLN A 95 4.669 8.260 6.457 1.00 0.00 C ATOM 1399 CD GLN A 95 4.996 9.604 7.091 1.00 0.00 C ATOM 1400 OE1 GLN A 95 5.807 9.683 8.012 1.00 0.00 O ATOM 1401 NE2 GLN A 95 4.371 10.668 6.610 1.00 0.00 N ATOM 0 H GLN A 95 0.622 7.222 6.253 1.00 0.00 H new ATOM 0 HA GLN A 95 2.656 8.536 7.951 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.092 7.182 5.486 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.120 8.896 5.120 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.823 7.472 7.195 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.367 8.073 5.641 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.704 10.565 5.845 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.557 11.590 7.005 1.00 0.00 H new ATOM 1410 N GLU A 96 1.542 10.707 7.469 1.00 0.00 N ATOM 1411 CA GLU A 96 0.861 11.964 7.226 1.00 0.00 C ATOM 1412 C GLU A 96 1.690 12.827 6.297 1.00 0.00 C ATOM 1413 O GLU A 96 2.880 13.052 6.523 1.00 0.00 O ATOM 1414 CB GLU A 96 0.566 12.697 8.537 1.00 0.00 C ATOM 1415 CG GLU A 96 -0.171 14.016 8.344 1.00 0.00 C ATOM 1416 CD GLU A 96 -0.746 14.562 9.634 1.00 0.00 C ATOM 1417 OE1 GLU A 96 -1.829 14.100 10.046 1.00 0.00 O ATOM 1418 OE2 GLU A 96 -0.126 15.463 10.239 1.00 0.00 O ATOM 0 H GLU A 96 2.137 10.698 8.298 1.00 0.00 H new ATOM 0 HA GLU A 96 -0.096 11.753 6.749 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.029 12.049 9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.505 12.887 9.057 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.513 14.750 7.917 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.977 13.875 7.624 1.00 0.00 H new ATOM 1425 N THR A 97 1.048 13.276 5.239 1.00 0.00 N ATOM 1426 CA THR A 97 1.699 14.030 4.192 1.00 0.00 C ATOM 1427 C THR A 97 2.322 15.315 4.726 1.00 0.00 C ATOM 1428 O THR A 97 1.627 16.207 5.219 1.00 0.00 O ATOM 1429 CB THR A 97 0.686 14.363 3.095 1.00 0.00 C ATOM 1430 OG1 THR A 97 -0.484 14.919 3.700 1.00 0.00 O ATOM 1431 CG2 THR A 97 0.309 13.116 2.312 1.00 0.00 C ATOM 0 H THR A 97 0.051 13.126 5.082 1.00 0.00 H new ATOM 0 HA THR A 97 2.502 13.416 3.784 1.00 0.00 H new ATOM 0 HB THR A 97 1.132 15.079 2.405 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.195 14.992 3.030 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.412 13.377 1.537 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.201 12.693 1.850 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.132 12.382 2.987 1.00 0.00 H new ATOM 1439 N THR A 98 3.639 15.395 4.619 1.00 0.00 N ATOM 1440 CA THR A 98 4.391 16.535 5.107 1.00 0.00 C ATOM 1441 C THR A 98 4.102 17.764 4.252 1.00 0.00 C ATOM 1442 O THR A 98 4.123 18.897 4.732 1.00 0.00 O ATOM 1443 CB THR A 98 5.898 16.230 5.066 1.00 0.00 C ATOM 1444 OG1 THR A 98 6.143 14.924 5.614 1.00 0.00 O ATOM 1445 CG2 THR A 98 6.692 17.269 5.844 1.00 0.00 C ATOM 0 H THR A 98 4.215 14.670 4.191 1.00 0.00 H new ATOM 0 HA THR A 98 4.089 16.733 6.135 1.00 0.00 H new ATOM 0 HB THR A 98 6.223 16.261 4.026 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.104 14.732 5.585 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.754 17.026 5.797 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.525 18.255 5.409 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.367 17.272 6.884 1.00 0.00 H new