USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 761 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 65 TYR OH : rot 118:sc= 0.0088 USER MOD Set 1.2: A 99 ASN : amide:sc= 0.00507 K(o=0.11,f=-2.5) USER MOD Set 1.3: A 102 GLN : amide:sc= 0.0326 K(o=0.11,f=-2) USER MOD Set 1.4: A 147 ASN : amide:sc= 0.0654 K(o=0.11,f=-1.9!) USER MOD Set 2.1: A 80 CYS SG : rot -73:sc= 0.601 USER MOD Set 2.2: A 82 THR OG1 : rot 130:sc= 0.828 USER MOD Single : A 19 THR OG1 : rot -27:sc= 0.141 USER MOD Single : A 20 LYS NZ :NH3+ -179:sc= 1.33 (180deg=1.26) USER MOD Single : A 22 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000763) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0.022) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -121:sc= 0 (180deg=-0.151) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.502 USER MOD Single : A 42 GLN : amide:sc= -0.015 K(o=-0.015,f=-1.5) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 165:sc= 0.327 USER MOD Single : A 61 CYS SG : rot 170:sc= -0.599 USER MOD Single : A 67 TYR OH : rot -159:sc= 0.0251 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0918 X(o=-0.092,f=-0.13) USER MOD Single : A 73 SER OG : rot -92:sc= 0.0427 USER MOD Single : A 76 SER OG : rot -157:sc= 0.948 USER MOD Single : A 81 GLN :FLIP amide:sc= -0.34 F(o=-0.93,f=-0.34) USER MOD Single : A 84 GLN : amide:sc= 0.888 K(o=0.89,f=-0.29) USER MOD Single : A 90 LYS NZ :NH3+ -161:sc= 1.02 (180deg=0.699) USER MOD Single : A 91 CYS SG : rot 88:sc= 0.724 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -148:sc= 0 (180deg=-0.219) USER MOD Single : A 140 HIS : no HD1:sc=-0.00124 X(o=-0.0012,f=-0.22) USER MOD Single : A 143 CYS SG : rot 170:sc= -0.0665 USER MOD Single : A 145 ASN : amide:sc= 0.717 K(o=0.72,f=0) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 233 N THR A 19 7.063 -0.586 -11.669 1.00 0.00 N ATOM 234 CA THR A 19 6.418 0.746 -11.636 1.00 0.00 C ATOM 235 C THR A 19 4.960 0.706 -11.196 1.00 0.00 C ATOM 236 O THR A 19 4.561 1.530 -10.374 1.00 0.00 O ATOM 237 CB THR A 19 6.547 1.488 -12.972 1.00 0.00 C ATOM 238 OG1 THR A 19 6.124 0.665 -14.038 1.00 0.00 O ATOM 239 CG2 THR A 19 7.985 1.932 -13.244 1.00 0.00 C ATOM 0 HA THR A 19 6.967 1.302 -10.876 1.00 0.00 H new ATOM 0 HB THR A 19 5.913 2.372 -12.902 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.255 -0.276 -13.797 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.030 2.453 -14.200 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.315 2.601 -12.450 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.636 1.058 -13.276 1.00 0.00 H new ATOM 247 N LYS A 20 4.175 -0.269 -11.665 1.00 0.00 N ATOM 248 CA LYS A 20 2.833 -0.541 -11.131 1.00 0.00 C ATOM 249 C LYS A 20 2.939 -1.413 -9.866 1.00 0.00 C ATOM 250 O LYS A 20 3.713 -2.372 -9.838 1.00 0.00 O ATOM 251 CB LYS A 20 1.952 -1.241 -12.187 1.00 0.00 C ATOM 252 CG LYS A 20 1.338 -0.329 -13.261 1.00 0.00 C ATOM 253 CD LYS A 20 2.371 0.289 -14.215 1.00 0.00 C ATOM 254 CE LYS A 20 1.757 0.674 -15.568 1.00 0.00 C ATOM 255 NZ LYS A 20 0.821 1.818 -15.461 1.00 0.00 N ATOM 0 H LYS A 20 4.450 -0.892 -12.424 1.00 0.00 H new ATOM 0 HA LYS A 20 2.365 0.409 -10.873 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.552 -2.003 -12.685 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.143 -1.758 -11.672 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.618 -0.903 -13.843 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.785 0.472 -12.771 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.807 1.174 -13.751 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.184 -0.420 -14.376 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.555 0.925 -16.267 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.230 -0.185 -15.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.421 2.028 -16.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.053 1.578 -14.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.332 2.652 -15.108 1.00 0.00 H new ATOM 269 N PHE A 21 2.123 -1.134 -8.847 1.00 0.00 N ATOM 270 CA PHE A 21 2.064 -1.915 -7.605 1.00 0.00 C ATOM 271 C PHE A 21 0.610 -2.156 -7.192 1.00 0.00 C ATOM 272 O PHE A 21 -0.160 -1.215 -7.016 1.00 0.00 O ATOM 273 CB PHE A 21 2.848 -1.197 -6.495 1.00 0.00 C ATOM 274 CG PHE A 21 4.346 -1.112 -6.726 1.00 0.00 C ATOM 275 CD1 PHE A 21 5.189 -2.145 -6.272 1.00 0.00 C ATOM 276 CD2 PHE A 21 4.904 0.005 -7.377 1.00 0.00 C ATOM 277 CE1 PHE A 21 6.580 -2.057 -6.460 1.00 0.00 C ATOM 278 CE2 PHE A 21 6.294 0.084 -7.577 1.00 0.00 C ATOM 279 CZ PHE A 21 7.134 -0.943 -7.114 1.00 0.00 C ATOM 0 H PHE A 21 1.474 -0.347 -8.860 1.00 0.00 H new ATOM 0 HA PHE A 21 2.526 -2.888 -7.774 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.454 -0.187 -6.386 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.669 -1.712 -5.551 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.766 -3.007 -5.778 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.263 0.803 -7.723 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.224 -2.847 -6.101 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.717 0.936 -8.088 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.202 -0.877 -7.260 1.00 0.00 H new ATOM 289 N LYS A 22 0.225 -3.424 -7.019 1.00 0.00 N ATOM 290 CA LYS A 22 -1.104 -3.797 -6.521 1.00 0.00 C ATOM 291 C LYS A 22 -1.263 -3.341 -5.060 1.00 0.00 C ATOM 292 O LYS A 22 -0.400 -3.629 -4.228 1.00 0.00 O ATOM 293 CB LYS A 22 -1.306 -5.323 -6.662 1.00 0.00 C ATOM 294 CG LYS A 22 -1.952 -5.747 -7.990 1.00 0.00 C ATOM 295 CD LYS A 22 -1.143 -5.496 -9.275 1.00 0.00 C ATOM 296 CE LYS A 22 -0.312 -6.704 -9.753 1.00 0.00 C ATOM 297 NZ LYS A 22 0.847 -7.035 -8.880 1.00 0.00 N ATOM 0 H LYS A 22 0.827 -4.223 -7.220 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.871 -3.298 -7.114 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.340 -5.818 -6.566 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.928 -5.675 -5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.174 -6.813 -7.933 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.905 -5.227 -8.084 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.829 -5.205 -10.070 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.473 -4.653 -9.108 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.964 -7.575 -9.818 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.053 -6.503 -10.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.362 -7.846 -9.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.484 -6.215 -8.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.506 -7.276 -7.927 1.00 0.00 H new ATOM 311 N VAL A 23 -2.355 -2.640 -4.755 1.00 0.00 N ATOM 312 CA VAL A 23 -2.620 -2.050 -3.427 1.00 0.00 C ATOM 313 C VAL A 23 -4.073 -2.248 -2.984 1.00 0.00 C ATOM 314 O VAL A 23 -4.968 -2.394 -3.819 1.00 0.00 O ATOM 315 CB VAL A 23 -2.247 -0.548 -3.356 1.00 0.00 C ATOM 316 CG1 VAL A 23 -0.729 -0.320 -3.427 1.00 0.00 C ATOM 317 CG2 VAL A 23 -2.961 0.324 -4.402 1.00 0.00 C ATOM 0 H VAL A 23 -3.098 -2.459 -5.430 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.973 -2.590 -2.736 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.605 -0.226 -2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.519 0.748 -3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.245 -0.827 -2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.345 -0.719 -4.366 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.647 1.361 -4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.704 -0.024 -5.402 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.039 0.254 -4.259 1.00 0.00 H new ATOM 327 N THR A 24 -4.306 -2.222 -1.666 1.00 0.00 N ATOM 328 CA THR A 24 -5.640 -2.334 -1.052 1.00 0.00 C ATOM 329 C THR A 24 -5.763 -1.314 0.069 1.00 0.00 C ATOM 330 O THR A 24 -5.047 -1.408 1.060 1.00 0.00 O ATOM 331 CB THR A 24 -5.884 -3.755 -0.517 1.00 0.00 C ATOM 332 OG1 THR A 24 -5.527 -4.718 -1.486 1.00 0.00 O ATOM 333 CG2 THR A 24 -7.356 -3.971 -0.172 1.00 0.00 C ATOM 0 H THR A 24 -3.558 -2.120 -0.980 1.00 0.00 H new ATOM 0 HA THR A 24 -6.396 -2.133 -1.811 1.00 0.00 H new ATOM 0 HB THR A 24 -5.272 -3.866 0.378 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.687 -5.616 -1.129 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.497 -4.985 0.203 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.659 -3.256 0.592 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.964 -3.827 -1.065 1.00 0.00 H new ATOM 341 N ASN A 25 -6.651 -0.332 -0.084 1.00 0.00 N ATOM 342 CA ASN A 25 -6.877 0.723 0.912 1.00 0.00 C ATOM 343 C ASN A 25 -7.500 0.147 2.199 1.00 0.00 C ATOM 344 O ASN A 25 -8.361 -0.735 2.114 1.00 0.00 O ATOM 345 CB ASN A 25 -7.765 1.811 0.281 1.00 0.00 C ATOM 346 CG ASN A 25 -7.990 3.020 1.189 1.00 0.00 C ATOM 347 OD1 ASN A 25 -9.116 3.387 1.498 1.00 0.00 O ATOM 348 ND2 ASN A 25 -6.940 3.682 1.641 1.00 0.00 N ATOM 0 H ASN A 25 -7.242 -0.243 -0.911 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.925 1.167 1.204 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.308 2.146 -0.650 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.731 1.376 0.023 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.070 4.494 2.244 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.999 3.381 1.387 1.00 0.00 H new ATOM 355 N VAL A 26 -7.086 0.639 3.374 1.00 0.00 N ATOM 356 CA VAL A 26 -7.545 0.120 4.679 1.00 0.00 C ATOM 357 C VAL A 26 -8.033 1.212 5.638 1.00 0.00 C ATOM 358 O VAL A 26 -7.627 2.370 5.539 1.00 0.00 O ATOM 359 CB VAL A 26 -6.488 -0.756 5.388 1.00 0.00 C ATOM 360 CG1 VAL A 26 -6.193 -2.038 4.599 1.00 0.00 C ATOM 361 CG2 VAL A 26 -5.165 -0.030 5.685 1.00 0.00 C ATOM 0 H VAL A 26 -6.422 1.410 3.452 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.399 -0.507 4.425 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.941 -1.006 6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.445 -2.628 5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.108 -2.621 4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.815 -1.778 3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.478 -0.714 6.183 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.721 0.314 4.751 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.357 0.826 6.332 1.00 0.00 H new ATOM 371 N ASP A 27 -8.898 0.813 6.577 1.00 0.00 N ATOM 372 CA ASP A 27 -9.360 1.640 7.698 1.00 0.00 C ATOM 373 C ASP A 27 -8.403 1.612 8.913 1.00 0.00 C ATOM 374 O ASP A 27 -7.316 1.032 8.865 1.00 0.00 O ATOM 375 CB ASP A 27 -10.806 1.253 8.075 1.00 0.00 C ATOM 376 CG ASP A 27 -10.977 -0.088 8.813 1.00 0.00 C ATOM 377 OD1 ASP A 27 -9.994 -0.851 8.959 1.00 0.00 O ATOM 378 OD2 ASP A 27 -12.116 -0.366 9.255 1.00 0.00 O ATOM 0 H ASP A 27 -9.308 -0.121 6.578 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.356 2.678 7.366 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.221 2.044 8.700 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.402 1.221 7.163 1.00 0.00 H new ATOM 383 N ASP A 28 -8.815 2.231 10.023 1.00 0.00 N ATOM 384 CA ASP A 28 -8.027 2.341 11.263 1.00 0.00 C ATOM 385 C ASP A 28 -7.911 1.044 12.086 1.00 0.00 C ATOM 386 O ASP A 28 -7.121 0.964 13.027 1.00 0.00 O ATOM 387 CB ASP A 28 -8.553 3.514 12.100 1.00 0.00 C ATOM 388 CG ASP A 28 -9.912 3.321 12.801 1.00 0.00 C ATOM 389 OD1 ASP A 28 -10.793 2.615 12.261 1.00 0.00 O ATOM 390 OD2 ASP A 28 -10.103 3.943 13.876 1.00 0.00 O ATOM 0 H ASP A 28 -9.727 2.682 10.090 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.999 2.536 10.958 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.809 3.747 12.862 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.628 4.386 11.451 1.00 0.00 H new ATOM 395 N GLU A 29 -8.657 0.022 11.675 1.00 0.00 N ATOM 396 CA GLU A 29 -8.576 -1.371 12.140 1.00 0.00 C ATOM 397 C GLU A 29 -7.804 -2.281 11.154 1.00 0.00 C ATOM 398 O GLU A 29 -7.608 -3.468 11.432 1.00 0.00 O ATOM 399 CB GLU A 29 -9.996 -1.918 12.387 1.00 0.00 C ATOM 400 CG GLU A 29 -10.684 -1.325 13.625 1.00 0.00 C ATOM 401 CD GLU A 29 -10.075 -1.856 14.933 1.00 0.00 C ATOM 402 OE1 GLU A 29 -10.372 -3.014 15.316 1.00 0.00 O ATOM 403 OE2 GLU A 29 -9.315 -1.118 15.603 1.00 0.00 O ATOM 0 H GLU A 29 -9.380 0.146 10.966 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.014 -1.376 13.074 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.611 -1.715 11.510 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.944 -3.001 12.496 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.600 -0.239 13.601 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.747 -1.563 13.598 1.00 0.00 H new ATOM 410 N GLY A 30 -7.348 -1.751 10.009 1.00 0.00 N ATOM 411 CA GLY A 30 -6.595 -2.483 8.980 1.00 0.00 C ATOM 412 C GLY A 30 -7.461 -3.353 8.061 1.00 0.00 C ATOM 413 O GLY A 30 -6.922 -4.226 7.379 1.00 0.00 O ATOM 0 H GLY A 30 -7.498 -0.772 9.767 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.046 -1.766 8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.856 -3.117 9.470 1.00 0.00 H new ATOM 417 N VAL A 31 -8.779 -3.143 8.035 1.00 0.00 N ATOM 418 CA VAL A 31 -9.743 -3.923 7.240 1.00 0.00 C ATOM 419 C VAL A 31 -9.701 -3.460 5.782 1.00 0.00 C ATOM 420 O VAL A 31 -9.784 -2.264 5.512 1.00 0.00 O ATOM 421 CB VAL A 31 -11.186 -3.799 7.792 1.00 0.00 C ATOM 422 CG1 VAL A 31 -12.169 -4.689 7.009 1.00 0.00 C ATOM 423 CG2 VAL A 31 -11.250 -4.196 9.278 1.00 0.00 C ATOM 0 H VAL A 31 -9.223 -2.405 8.581 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.456 -4.973 7.305 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.473 -2.754 7.677 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -13.171 -4.577 7.423 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -12.174 -4.390 5.961 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.858 -5.731 7.088 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.275 -4.099 9.637 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.922 -5.229 9.393 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.599 -3.542 9.858 1.00 0.00 H new ATOM 433 N GLU A 32 -9.577 -4.413 4.855 1.00 0.00 N ATOM 434 CA GLU A 32 -9.510 -4.174 3.408 1.00 0.00 C ATOM 435 C GLU A 32 -10.834 -3.613 2.865 1.00 0.00 C ATOM 436 O GLU A 32 -11.880 -4.264 2.948 1.00 0.00 O ATOM 437 CB GLU A 32 -9.134 -5.483 2.692 1.00 0.00 C ATOM 438 CG GLU A 32 -7.680 -5.889 2.989 1.00 0.00 C ATOM 439 CD GLU A 32 -7.228 -7.183 2.292 1.00 0.00 C ATOM 440 OE1 GLU A 32 -8.061 -7.928 1.723 1.00 0.00 O ATOM 441 OE2 GLU A 32 -6.009 -7.471 2.342 1.00 0.00 O ATOM 0 H GLU A 32 -9.519 -5.402 5.096 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.743 -3.424 3.215 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.807 -6.279 3.009 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.267 -5.362 1.617 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.019 -5.077 2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.562 -6.010 4.066 1.00 0.00 H new ATOM 448 N LEU A 33 -10.781 -2.399 2.304 1.00 0.00 N ATOM 449 CA LEU A 33 -11.952 -1.649 1.830 1.00 0.00 C ATOM 450 C LEU A 33 -12.166 -1.807 0.320 1.00 0.00 C ATOM 451 O LEU A 33 -13.257 -2.177 -0.120 1.00 0.00 O ATOM 452 CB LEU A 33 -11.782 -0.160 2.192 1.00 0.00 C ATOM 453 CG LEU A 33 -11.563 0.135 3.689 1.00 0.00 C ATOM 454 CD1 LEU A 33 -11.394 1.647 3.866 1.00 0.00 C ATOM 455 CD2 LEU A 33 -12.714 -0.388 4.556 1.00 0.00 C ATOM 0 H LEU A 33 -9.903 -1.899 2.163 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.836 -2.055 2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.935 0.238 1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.667 0.381 1.858 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.665 -0.386 4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.238 1.875 4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.533 1.987 3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.291 2.157 3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.515 -0.157 5.603 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.646 0.088 4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.801 -1.468 4.433 1.00 0.00 H new ATOM 467 N GLY A 34 -11.119 -1.531 -0.464 1.00 0.00 N ATOM 468 CA GLY A 34 -11.124 -1.625 -1.928 1.00 0.00 C ATOM 469 C GLY A 34 -9.731 -1.738 -2.542 1.00 0.00 C ATOM 470 O GLY A 34 -8.760 -1.195 -2.016 1.00 0.00 O ATOM 0 H GLY A 34 -10.221 -1.228 -0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.714 -2.492 -2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.621 -0.746 -2.338 1.00 0.00 H new ATOM 474 N SER A 35 -9.637 -2.440 -3.668 1.00 0.00 N ATOM 475 CA SER A 35 -8.396 -2.679 -4.416 1.00 0.00 C ATOM 476 C SER A 35 -8.138 -1.635 -5.521 1.00 0.00 C ATOM 477 O SER A 35 -9.060 -1.008 -6.054 1.00 0.00 O ATOM 478 CB SER A 35 -8.422 -4.102 -4.999 1.00 0.00 C ATOM 479 OG SER A 35 -9.589 -4.334 -5.783 1.00 0.00 O ATOM 0 H SER A 35 -10.450 -2.876 -4.104 1.00 0.00 H new ATOM 0 HA SER A 35 -7.567 -2.577 -3.716 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.535 -4.259 -5.613 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.380 -4.828 -4.187 1.00 0.00 H new ATOM 0 HG SER A 35 -9.569 -5.247 -6.137 1.00 0.00 H new ATOM 485 N GLY A 36 -6.856 -1.445 -5.860 1.00 0.00 N ATOM 486 CA GLY A 36 -6.362 -0.518 -6.881 1.00 0.00 C ATOM 487 C GLY A 36 -4.923 -0.818 -7.303 1.00 0.00 C ATOM 488 O GLY A 36 -4.269 -1.698 -6.731 1.00 0.00 O ATOM 0 H GLY A 36 -6.101 -1.959 -5.407 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.011 -0.568 -7.756 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.419 0.501 -6.499 1.00 0.00 H new ATOM 492 N VAL A 37 -4.420 -0.073 -8.289 1.00 0.00 N ATOM 493 CA VAL A 37 -3.022 -0.167 -8.753 1.00 0.00 C ATOM 494 C VAL A 37 -2.343 1.196 -8.621 1.00 0.00 C ATOM 495 O VAL A 37 -2.702 2.159 -9.297 1.00 0.00 O ATOM 496 CB VAL A 37 -2.921 -0.717 -10.195 1.00 0.00 C ATOM 497 CG1 VAL A 37 -1.459 -0.769 -10.678 1.00 0.00 C ATOM 498 CG2 VAL A 37 -3.509 -2.137 -10.281 1.00 0.00 C ATOM 0 H VAL A 37 -4.970 0.620 -8.796 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.500 -0.883 -8.118 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.488 -0.038 -10.832 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.425 -1.160 -11.695 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.034 0.235 -10.661 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.881 -1.418 -10.020 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.427 -2.503 -11.304 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.959 -2.800 -9.613 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.558 -2.115 -9.986 1.00 0.00 H new ATOM 508 N MET A 38 -1.342 1.256 -7.745 1.00 0.00 N ATOM 509 CA MET A 38 -0.508 2.429 -7.489 1.00 0.00 C ATOM 510 C MET A 38 0.509 2.606 -8.628 1.00 0.00 C ATOM 511 O MET A 38 1.087 1.633 -9.115 1.00 0.00 O ATOM 512 CB MET A 38 0.172 2.251 -6.121 1.00 0.00 C ATOM 513 CG MET A 38 0.753 3.549 -5.549 1.00 0.00 C ATOM 514 SD MET A 38 -0.460 4.768 -4.970 1.00 0.00 S ATOM 515 CE MET A 38 -0.965 4.021 -3.398 1.00 0.00 C ATOM 0 H MET A 38 -1.079 0.455 -7.170 1.00 0.00 H new ATOM 0 HA MET A 38 -1.111 3.337 -7.459 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.553 1.845 -5.415 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.971 1.516 -6.215 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.411 3.295 -4.718 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.373 4.016 -6.314 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.039 3.834 -3.412 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.435 3.079 -3.256 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.726 4.700 -2.579 1.00 0.00 H new ATOM 525 N GLU A 39 0.718 3.852 -9.042 1.00 0.00 N ATOM 526 CA GLU A 39 1.615 4.282 -10.117 1.00 0.00 C ATOM 527 C GLU A 39 2.436 5.489 -9.649 1.00 0.00 C ATOM 528 O GLU A 39 1.919 6.410 -9.015 1.00 0.00 O ATOM 529 CB GLU A 39 0.788 4.635 -11.364 1.00 0.00 C ATOM 530 CG GLU A 39 1.577 5.323 -12.488 1.00 0.00 C ATOM 531 CD GLU A 39 2.583 4.385 -13.157 1.00 0.00 C ATOM 532 OE1 GLU A 39 3.693 4.203 -12.614 1.00 0.00 O ATOM 533 OE2 GLU A 39 2.243 3.839 -14.231 1.00 0.00 O ATOM 0 H GLU A 39 0.236 4.641 -8.610 1.00 0.00 H new ATOM 0 HA GLU A 39 2.301 3.474 -10.372 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.344 3.721 -11.758 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.034 5.286 -11.065 1.00 0.00 H new ATOM 0 HG2 GLU A 39 0.881 5.699 -13.238 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.104 6.186 -12.082 1.00 0.00 H new ATOM 540 N LEU A 40 3.721 5.499 -9.985 1.00 0.00 N ATOM 541 CA LEU A 40 4.704 6.469 -9.504 1.00 0.00 C ATOM 542 C LEU A 40 5.506 6.989 -10.703 1.00 0.00 C ATOM 543 O LEU A 40 6.316 6.253 -11.280 1.00 0.00 O ATOM 544 CB LEU A 40 5.617 5.818 -8.440 1.00 0.00 C ATOM 545 CG LEU A 40 5.128 5.915 -6.979 1.00 0.00 C ATOM 546 CD1 LEU A 40 4.115 4.830 -6.593 1.00 0.00 C ATOM 547 CD2 LEU A 40 6.313 5.798 -6.014 1.00 0.00 C ATOM 0 H LEU A 40 4.123 4.810 -10.621 1.00 0.00 H new ATOM 0 HA LEU A 40 4.205 7.312 -9.026 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.741 4.765 -8.692 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.602 6.279 -8.504 1.00 0.00 H new ATOM 0 HG LEU A 40 4.636 6.885 -6.904 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.818 4.963 -5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.237 4.908 -7.234 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.569 3.847 -6.718 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.954 5.868 -4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.808 4.838 -6.161 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.020 6.605 -6.207 1.00 0.00 H new ATOM 559 N THR A 41 5.276 8.254 -11.076 1.00 0.00 N ATOM 560 CA THR A 41 5.905 8.905 -12.239 1.00 0.00 C ATOM 561 C THR A 41 6.973 9.895 -11.784 1.00 0.00 C ATOM 562 O THR A 41 7.069 10.216 -10.601 1.00 0.00 O ATOM 563 CB THR A 41 4.849 9.567 -13.143 1.00 0.00 C ATOM 564 OG1 THR A 41 4.422 10.788 -12.578 1.00 0.00 O ATOM 565 CG2 THR A 41 3.622 8.679 -13.389 1.00 0.00 C ATOM 0 H THR A 41 4.637 8.867 -10.571 1.00 0.00 H new ATOM 0 HA THR A 41 6.400 8.141 -12.839 1.00 0.00 H new ATOM 0 HB THR A 41 5.333 9.734 -14.105 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.752 11.202 -13.161 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.916 9.204 -14.033 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.934 7.753 -13.871 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.143 8.449 -12.437 1.00 0.00 H new ATOM 573 N GLN A 42 7.754 10.428 -12.725 1.00 0.00 N ATOM 574 CA GLN A 42 8.677 11.543 -12.464 1.00 0.00 C ATOM 575 C GLN A 42 7.944 12.882 -12.209 1.00 0.00 C ATOM 576 O GLN A 42 8.591 13.889 -11.922 1.00 0.00 O ATOM 577 CB GLN A 42 9.679 11.667 -13.632 1.00 0.00 C ATOM 578 CG GLN A 42 10.761 10.569 -13.649 1.00 0.00 C ATOM 579 CD GLN A 42 11.861 10.748 -12.591 1.00 0.00 C ATOM 580 OE1 GLN A 42 11.741 11.486 -11.622 1.00 0.00 O ATOM 581 NE2 GLN A 42 12.990 10.085 -12.735 1.00 0.00 N ATOM 0 H GLN A 42 7.767 10.101 -13.691 1.00 0.00 H new ATOM 0 HA GLN A 42 9.218 11.319 -11.544 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.130 11.636 -14.573 1.00 0.00 H new ATOM 0 HB3 GLN A 42 10.165 12.641 -13.578 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.282 9.601 -13.498 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.223 10.546 -14.636 1.00 0.00 H new ATOM 0 HE21 GLN A 42 13.118 9.463 -13.533 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.736 10.194 -12.048 1.00 0.00 H new ATOM 590 N SER A 43 6.608 12.915 -12.278 1.00 0.00 N ATOM 591 CA SER A 43 5.797 14.116 -12.026 1.00 0.00 C ATOM 592 C SER A 43 5.059 14.070 -10.677 1.00 0.00 C ATOM 593 O SER A 43 5.053 15.075 -9.962 1.00 0.00 O ATOM 594 CB SER A 43 4.777 14.321 -13.159 1.00 0.00 C ATOM 595 OG SER A 43 5.413 14.495 -14.421 1.00 0.00 O ATOM 0 H SER A 43 6.049 12.095 -12.514 1.00 0.00 H new ATOM 0 HA SER A 43 6.492 14.955 -11.990 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.108 13.462 -13.205 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.161 15.193 -12.940 1.00 0.00 H new ATOM 0 HG SER A 43 4.733 14.621 -15.115 1.00 0.00 H new ATOM 601 N GLU A 44 4.441 12.935 -10.313 1.00 0.00 N ATOM 602 CA GLU A 44 3.592 12.798 -9.120 1.00 0.00 C ATOM 603 C GLU A 44 3.235 11.335 -8.798 1.00 0.00 C ATOM 604 O GLU A 44 3.443 10.423 -9.605 1.00 0.00 O ATOM 605 CB GLU A 44 2.315 13.659 -9.250 1.00 0.00 C ATOM 606 CG GLU A 44 1.365 13.251 -10.383 1.00 0.00 C ATOM 607 CD GLU A 44 0.252 14.292 -10.586 1.00 0.00 C ATOM 608 OE1 GLU A 44 -0.322 14.790 -9.588 1.00 0.00 O ATOM 609 OE2 GLU A 44 -0.057 14.619 -11.758 1.00 0.00 O ATOM 0 H GLU A 44 4.519 12.071 -10.850 1.00 0.00 H new ATOM 0 HA GLU A 44 4.181 13.165 -8.279 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.770 13.616 -8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.610 14.697 -9.401 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.929 13.135 -11.308 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.921 12.282 -10.156 1.00 0.00 H new ATOM 616 N LEU A 45 2.637 11.124 -7.619 1.00 0.00 N ATOM 617 CA LEU A 45 2.044 9.849 -7.225 1.00 0.00 C ATOM 618 C LEU A 45 0.648 9.734 -7.861 1.00 0.00 C ATOM 619 O LEU A 45 -0.105 10.707 -7.867 1.00 0.00 O ATOM 620 CB LEU A 45 1.972 9.766 -5.678 1.00 0.00 C ATOM 621 CG LEU A 45 2.489 8.440 -5.086 1.00 0.00 C ATOM 622 CD1 LEU A 45 2.225 8.357 -3.580 1.00 0.00 C ATOM 623 CD2 LEU A 45 1.858 7.230 -5.767 1.00 0.00 C ATOM 0 H LEU A 45 2.553 11.847 -6.905 1.00 0.00 H new ATOM 0 HA LEU A 45 2.655 9.018 -7.576 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.549 10.588 -5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.937 9.910 -5.366 1.00 0.00 H new ATOM 0 HG LEU A 45 3.564 8.425 -5.264 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.602 7.409 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.731 9.180 -3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.153 8.422 -3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.249 6.316 -5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.776 7.263 -5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.097 7.245 -6.830 1.00 0.00 H new ATOM 635 N VAL A 46 0.292 8.560 -8.380 1.00 0.00 N ATOM 636 CA VAL A 46 -0.972 8.275 -9.081 1.00 0.00 C ATOM 637 C VAL A 46 -1.543 6.940 -8.575 1.00 0.00 C ATOM 638 O VAL A 46 -0.800 6.050 -8.171 1.00 0.00 O ATOM 639 CB VAL A 46 -0.743 8.259 -10.617 1.00 0.00 C ATOM 640 CG1 VAL A 46 -2.004 7.873 -11.415 1.00 0.00 C ATOM 641 CG2 VAL A 46 -0.243 9.620 -11.136 1.00 0.00 C ATOM 0 H VAL A 46 0.899 7.742 -8.324 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.698 9.060 -8.870 1.00 0.00 H new ATOM 0 HB VAL A 46 0.018 7.495 -10.776 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.777 7.881 -12.481 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.330 6.875 -11.121 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.799 8.590 -11.208 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.095 9.566 -12.215 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.981 10.389 -10.909 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.702 9.869 -10.652 1.00 0.00 H new ATOM 651 N LEU A 47 -2.868 6.786 -8.591 1.00 0.00 N ATOM 652 CA LEU A 47 -3.573 5.587 -8.143 1.00 0.00 C ATOM 653 C LEU A 47 -4.778 5.334 -9.055 1.00 0.00 C ATOM 654 O LEU A 47 -5.732 6.118 -9.095 1.00 0.00 O ATOM 655 CB LEU A 47 -3.968 5.750 -6.659 1.00 0.00 C ATOM 656 CG LEU A 47 -4.095 4.440 -5.850 1.00 0.00 C ATOM 657 CD1 LEU A 47 -4.800 4.721 -4.517 1.00 0.00 C ATOM 658 CD2 LEU A 47 -4.834 3.315 -6.574 1.00 0.00 C ATOM 0 H LEU A 47 -3.498 7.515 -8.926 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.928 4.711 -8.211 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.227 6.385 -6.173 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.920 6.278 -6.612 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.074 4.090 -5.698 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.888 3.795 -3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.220 5.444 -3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.794 5.124 -4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.876 2.435 -5.932 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.847 3.639 -6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.307 3.067 -7.495 1.00 0.00 H new ATOM 670 N HIS A 48 -4.712 4.221 -9.781 1.00 0.00 N ATOM 671 CA HIS A 48 -5.748 3.716 -10.679 1.00 0.00 C ATOM 672 C HIS A 48 -6.745 2.813 -9.925 1.00 0.00 C ATOM 673 O HIS A 48 -6.341 1.876 -9.224 1.00 0.00 O ATOM 674 CB HIS A 48 -5.061 2.956 -11.822 1.00 0.00 C ATOM 675 CG HIS A 48 -4.130 3.821 -12.631 1.00 0.00 C ATOM 676 ND1 HIS A 48 -4.529 4.796 -13.549 1.00 0.00 N ATOM 677 CD2 HIS A 48 -2.768 3.804 -12.561 1.00 0.00 C ATOM 678 CE1 HIS A 48 -3.391 5.339 -14.012 1.00 0.00 C ATOM 679 NE2 HIS A 48 -2.318 4.764 -13.441 1.00 0.00 N ATOM 0 H HIS A 48 -3.892 3.615 -9.758 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.325 4.547 -11.085 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.501 2.118 -11.408 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.822 2.537 -12.480 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.161 3.164 -11.938 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.344 6.131 -14.745 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.343 4.997 -13.627 1.00 0.00 H new ATOM 687 N LEU A 49 -8.037 3.108 -10.083 1.00 0.00 N ATOM 688 CA LEU A 49 -9.165 2.463 -9.398 1.00 0.00 C ATOM 689 C LEU A 49 -10.119 1.842 -10.443 1.00 0.00 C ATOM 690 O LEU A 49 -9.671 1.361 -11.485 1.00 0.00 O ATOM 691 CB LEU A 49 -9.830 3.515 -8.471 1.00 0.00 C ATOM 692 CG LEU A 49 -8.916 4.093 -7.366 1.00 0.00 C ATOM 693 CD1 LEU A 49 -9.639 5.243 -6.650 1.00 0.00 C ATOM 694 CD2 LEU A 49 -8.517 3.025 -6.337 1.00 0.00 C ATOM 0 H LEU A 49 -8.343 3.840 -10.724 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.843 1.635 -8.767 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.194 4.338 -9.086 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.701 3.060 -7.999 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.006 4.456 -7.844 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.994 5.650 -5.871 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.878 6.026 -7.369 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.559 4.870 -6.201 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.875 3.473 -5.578 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.413 2.623 -5.863 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.979 2.220 -6.838 1.00 0.00 H new ATOM 786 N ALA A 54 -9.202 8.252 -11.508 1.00 0.00 N ATOM 787 CA ALA A 54 -7.916 8.004 -10.854 1.00 0.00 C ATOM 788 C ALA A 54 -7.520 9.142 -9.896 1.00 0.00 C ATOM 789 O ALA A 54 -7.839 10.310 -10.137 1.00 0.00 O ATOM 790 CB ALA A 54 -6.855 7.780 -11.943 1.00 0.00 C ATOM 0 HA ALA A 54 -7.997 7.113 -10.231 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.888 7.593 -11.476 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.135 6.921 -12.553 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.788 8.667 -12.574 1.00 0.00 H new ATOM 796 N VAL A 55 -6.801 8.805 -8.826 1.00 0.00 N ATOM 797 CA VAL A 55 -6.476 9.724 -7.717 1.00 0.00 C ATOM 798 C VAL A 55 -4.981 10.034 -7.723 1.00 0.00 C ATOM 799 O VAL A 55 -4.171 9.126 -7.870 1.00 0.00 O ATOM 800 CB VAL A 55 -6.917 9.137 -6.359 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.568 10.090 -5.207 1.00 0.00 C ATOM 802 CG2 VAL A 55 -8.435 8.903 -6.355 1.00 0.00 C ATOM 0 H VAL A 55 -6.417 7.869 -8.696 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.026 10.654 -7.862 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.389 8.194 -6.218 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.890 9.652 -4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.490 10.253 -5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.076 11.043 -5.357 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.737 8.489 -5.393 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.950 9.850 -6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.698 8.204 -7.149 1.00 0.00 H new ATOM 812 N ARG A 56 -4.623 11.317 -7.600 1.00 0.00 N ATOM 813 CA ARG A 56 -3.259 11.816 -7.800 1.00 0.00 C ATOM 814 C ARG A 56 -2.815 12.750 -6.667 1.00 0.00 C ATOM 815 O ARG A 56 -3.599 13.580 -6.197 1.00 0.00 O ATOM 816 CB ARG A 56 -3.145 12.532 -9.162 1.00 0.00 C ATOM 817 CG ARG A 56 -3.600 11.690 -10.371 1.00 0.00 C ATOM 818 CD ARG A 56 -5.082 11.832 -10.756 1.00 0.00 C ATOM 819 NE ARG A 56 -5.404 13.160 -11.306 1.00 0.00 N ATOM 820 CZ ARG A 56 -6.625 13.637 -11.533 1.00 0.00 C ATOM 821 NH1 ARG A 56 -7.716 12.949 -11.259 1.00 0.00 N ATOM 822 NH2 ARG A 56 -6.766 14.837 -12.052 1.00 0.00 N ATOM 0 H ARG A 56 -5.287 12.051 -7.354 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.592 10.954 -7.791 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.739 13.445 -9.128 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.108 12.832 -9.314 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.991 11.964 -11.232 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.397 10.641 -10.158 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.337 11.068 -11.491 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.700 11.648 -9.877 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.619 13.770 -11.534 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.642 12.014 -10.858 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.634 13.352 -11.448 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.943 15.395 -12.278 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.699 15.210 -12.229 1.00 0.00 H new ATOM 836 N TRP A 57 -1.548 12.633 -6.261 1.00 0.00 N ATOM 837 CA TRP A 57 -0.925 13.402 -5.181 1.00 0.00 C ATOM 838 C TRP A 57 0.477 13.903 -5.603 1.00 0.00 C ATOM 839 O TRP A 57 1.383 13.075 -5.761 1.00 0.00 O ATOM 840 CB TRP A 57 -0.838 12.519 -3.924 1.00 0.00 C ATOM 841 CG TRP A 57 -2.140 12.040 -3.354 1.00 0.00 C ATOM 842 CD1 TRP A 57 -3.015 12.806 -2.667 1.00 0.00 C ATOM 843 CD2 TRP A 57 -2.731 10.700 -3.388 1.00 0.00 C ATOM 844 NE1 TRP A 57 -4.080 12.038 -2.243 1.00 0.00 N ATOM 845 CE2 TRP A 57 -3.943 10.723 -2.632 1.00 0.00 C ATOM 846 CE3 TRP A 57 -2.367 9.464 -3.970 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -4.729 9.579 -2.430 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -3.168 8.317 -3.802 1.00 0.00 C ATOM 849 CH2 TRP A 57 -4.344 8.370 -3.031 1.00 0.00 C ATOM 0 H TRP A 57 -0.902 11.973 -6.694 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.533 14.280 -4.962 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.227 11.648 -4.160 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -0.311 13.077 -3.150 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -2.898 13.863 -2.478 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.870 12.399 -1.708 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.460 9.398 -4.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -5.619 9.628 -1.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.877 7.388 -4.270 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.948 7.484 -2.902 1.00 0.00 H new ATOM 860 N PRO A 58 0.692 15.225 -5.780 1.00 0.00 N ATOM 861 CA PRO A 58 2.002 15.773 -6.122 1.00 0.00 C ATOM 862 C PRO A 58 2.978 15.623 -4.958 1.00 0.00 C ATOM 863 O PRO A 58 2.618 15.831 -3.801 1.00 0.00 O ATOM 864 CB PRO A 58 1.771 17.241 -6.487 1.00 0.00 C ATOM 865 CG PRO A 58 0.474 17.605 -5.775 1.00 0.00 C ATOM 866 CD PRO A 58 -0.301 16.290 -5.709 1.00 0.00 C ATOM 0 HA PRO A 58 2.452 15.237 -6.958 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.598 17.869 -6.154 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.684 17.374 -7.565 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.665 18.005 -4.779 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.081 18.367 -6.323 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -0.876 16.224 -4.786 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.011 16.215 -6.533 1.00 0.00 H new ATOM 874 N TYR A 59 4.231 15.287 -5.273 1.00 0.00 N ATOM 875 CA TYR A 59 5.269 15.008 -4.270 1.00 0.00 C ATOM 876 C TYR A 59 5.622 16.227 -3.400 1.00 0.00 C ATOM 877 O TYR A 59 6.009 16.069 -2.242 1.00 0.00 O ATOM 878 CB TYR A 59 6.522 14.466 -4.980 1.00 0.00 C ATOM 879 CG TYR A 59 6.359 13.169 -5.761 1.00 0.00 C ATOM 880 CD1 TYR A 59 5.545 12.133 -5.266 1.00 0.00 C ATOM 881 CD2 TYR A 59 7.063 12.972 -6.966 1.00 0.00 C ATOM 882 CE1 TYR A 59 5.423 10.925 -5.971 1.00 0.00 C ATOM 883 CE2 TYR A 59 6.932 11.765 -7.683 1.00 0.00 C ATOM 884 CZ TYR A 59 6.107 10.730 -7.185 1.00 0.00 C ATOM 885 OH TYR A 59 5.938 9.549 -7.846 1.00 0.00 O ATOM 0 H TYR A 59 4.559 15.200 -6.235 1.00 0.00 H new ATOM 0 HA TYR A 59 4.869 14.261 -3.584 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.883 15.233 -5.666 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.300 14.317 -4.231 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.010 12.268 -4.337 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.708 13.752 -7.343 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.798 10.137 -5.577 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.463 11.631 -8.614 1.00 0.00 H new ATOM 0 HH TYR A 59 6.270 9.638 -8.764 1.00 0.00 H new ATOM 895 N LEU A 60 5.402 17.443 -3.916 1.00 0.00 N ATOM 896 CA LEU A 60 5.543 18.695 -3.166 1.00 0.00 C ATOM 897 C LEU A 60 4.445 18.908 -2.110 1.00 0.00 C ATOM 898 O LEU A 60 4.671 19.638 -1.145 1.00 0.00 O ATOM 899 CB LEU A 60 5.745 19.861 -4.151 1.00 0.00 C ATOM 900 CG LEU A 60 4.486 20.304 -4.918 1.00 0.00 C ATOM 901 CD1 LEU A 60 3.763 21.437 -4.177 1.00 0.00 C ATOM 902 CD2 LEU A 60 4.865 20.782 -6.324 1.00 0.00 C ATOM 0 H LEU A 60 5.116 17.585 -4.885 1.00 0.00 H new ATOM 0 HA LEU A 60 6.441 18.640 -2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.133 20.717 -3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.508 19.575 -4.874 1.00 0.00 H new ATOM 0 HG LEU A 60 3.817 19.446 -4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.877 21.732 -4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.466 21.093 -3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.432 22.292 -4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.967 21.093 -6.857 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.552 21.625 -6.249 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.346 19.969 -6.867 1.00 0.00 H new ATOM 914 N CYS A 61 3.298 18.224 -2.238 1.00 0.00 N ATOM 915 CA CYS A 61 2.237 18.191 -1.217 1.00 0.00 C ATOM 916 C CYS A 61 2.317 16.972 -0.272 1.00 0.00 C ATOM 917 O CYS A 61 1.438 16.814 0.578 1.00 0.00 O ATOM 918 CB CYS A 61 0.868 18.299 -1.905 1.00 0.00 C ATOM 919 SG CYS A 61 0.734 19.910 -2.733 1.00 0.00 S ATOM 0 H CYS A 61 3.077 17.670 -3.065 1.00 0.00 H new ATOM 0 HA CYS A 61 2.384 19.051 -0.564 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.749 17.494 -2.630 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.070 18.188 -1.171 1.00 0.00 H new ATOM 0 HG CYS A 61 -0.323 19.923 -3.489 1.00 0.00 H new ATOM 925 N LEU A 62 3.351 16.126 -0.380 1.00 0.00 N ATOM 926 CA LEU A 62 3.639 15.064 0.587 1.00 0.00 C ATOM 927 C LEU A 62 4.642 15.578 1.624 1.00 0.00 C ATOM 928 O LEU A 62 5.853 15.583 1.386 1.00 0.00 O ATOM 929 CB LEU A 62 4.166 13.803 -0.124 1.00 0.00 C ATOM 930 CG LEU A 62 3.209 13.181 -1.156 1.00 0.00 C ATOM 931 CD1 LEU A 62 3.864 11.920 -1.726 1.00 0.00 C ATOM 932 CD2 LEU A 62 1.847 12.827 -0.551 1.00 0.00 C ATOM 0 H LEU A 62 4.017 16.163 -1.151 1.00 0.00 H new ATOM 0 HA LEU A 62 2.718 14.785 1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.101 14.053 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.399 13.051 0.630 1.00 0.00 H new ATOM 0 HG LEU A 62 3.027 13.916 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.199 11.465 -2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.807 12.184 -2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.053 11.212 -0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.209 12.392 -1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.984 12.108 0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.378 13.729 -0.158 1.00 0.00 H new ATOM 944 N ARG A 63 4.141 16.005 2.786 1.00 0.00 N ATOM 945 CA ARG A 63 4.992 16.486 3.884 1.00 0.00 C ATOM 946 C ARG A 63 5.730 15.330 4.572 1.00 0.00 C ATOM 947 O ARG A 63 6.901 15.477 4.934 1.00 0.00 O ATOM 948 CB ARG A 63 4.150 17.308 4.874 1.00 0.00 C ATOM 949 CG ARG A 63 5.034 18.078 5.867 1.00 0.00 C ATOM 950 CD ARG A 63 4.200 18.989 6.774 1.00 0.00 C ATOM 951 NE ARG A 63 5.064 19.733 7.708 1.00 0.00 N ATOM 952 CZ ARG A 63 4.664 20.561 8.667 1.00 0.00 C ATOM 953 NH1 ARG A 63 3.390 20.801 8.897 1.00 0.00 N ATOM 954 NH2 ARG A 63 5.556 21.167 9.420 1.00 0.00 N ATOM 0 H ARG A 63 3.143 16.028 2.994 1.00 0.00 H new ATOM 0 HA ARG A 63 5.762 17.138 3.472 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.524 18.010 4.324 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.480 16.644 5.421 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.597 17.372 6.478 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.762 18.676 5.319 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.627 19.689 6.166 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.481 18.392 7.335 1.00 0.00 H new ATOM 0 HE ARG A 63 6.070 19.599 7.608 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.675 20.345 8.330 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.118 21.443 9.642 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.551 21.001 9.267 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.253 21.803 10.157 1.00 0.00 H new ATOM 968 N ARG A 64 5.077 14.165 4.699 1.00 0.00 N ATOM 969 CA ARG A 64 5.644 12.961 5.319 1.00 0.00 C ATOM 970 C ARG A 64 5.013 11.675 4.778 1.00 0.00 C ATOM 971 O ARG A 64 3.858 11.652 4.350 1.00 0.00 O ATOM 972 CB ARG A 64 5.576 13.046 6.858 1.00 0.00 C ATOM 973 CG ARG A 64 4.147 13.049 7.430 1.00 0.00 C ATOM 974 CD ARG A 64 4.137 13.121 8.963 1.00 0.00 C ATOM 975 NE ARG A 64 4.526 14.456 9.459 1.00 0.00 N ATOM 976 CZ ARG A 64 4.783 14.776 10.724 1.00 0.00 C ATOM 977 NH1 ARG A 64 4.720 13.889 11.694 1.00 0.00 N ATOM 978 NH2 ARG A 64 5.122 16.009 11.030 1.00 0.00 N ATOM 0 H ARG A 64 4.122 14.032 4.367 1.00 0.00 H new ATOM 0 HA ARG A 64 6.697 12.917 5.042 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.122 12.203 7.281 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.087 13.952 7.183 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.597 13.898 7.024 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.626 12.148 7.107 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.141 12.874 9.331 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.820 12.372 9.365 1.00 0.00 H new ATOM 0 HE ARG A 64 4.605 15.202 8.768 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.468 12.923 11.486 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.923 14.168 12.654 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.187 16.717 10.298 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.320 16.258 11.999 1.00 0.00 H new ATOM 992 N TYR A 65 5.791 10.599 4.804 1.00 0.00 N ATOM 993 CA TYR A 65 5.489 9.304 4.191 1.00 0.00 C ATOM 994 C TYR A 65 6.322 8.193 4.840 1.00 0.00 C ATOM 995 O TYR A 65 7.389 8.445 5.399 1.00 0.00 O ATOM 996 CB TYR A 65 5.701 9.375 2.668 1.00 0.00 C ATOM 997 CG TYR A 65 7.098 9.792 2.248 1.00 0.00 C ATOM 998 CD1 TYR A 65 8.108 8.824 2.088 1.00 0.00 C ATOM 999 CD2 TYR A 65 7.392 11.152 2.030 1.00 0.00 C ATOM 1000 CE1 TYR A 65 9.413 9.210 1.731 1.00 0.00 C ATOM 1001 CE2 TYR A 65 8.697 11.545 1.683 1.00 0.00 C ATOM 1002 CZ TYR A 65 9.716 10.577 1.544 1.00 0.00 C ATOM 1003 OH TYR A 65 10.982 10.973 1.237 1.00 0.00 O ATOM 0 H TYR A 65 6.695 10.603 5.276 1.00 0.00 H new ATOM 0 HA TYR A 65 4.441 9.061 4.365 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.482 8.398 2.237 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.983 10.078 2.246 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.880 7.779 2.240 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.614 11.894 2.129 1.00 0.00 H new ATOM 0 HE1 TYR A 65 10.182 8.463 1.600 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.920 12.589 1.522 1.00 0.00 H new ATOM 0 HH TYR A 65 10.983 11.415 0.363 1.00 0.00 H new ATOM 1013 N GLY A 66 5.814 6.965 4.802 1.00 0.00 N ATOM 1014 CA GLY A 66 6.346 5.842 5.564 1.00 0.00 C ATOM 1015 C GLY A 66 5.844 4.488 5.095 1.00 0.00 C ATOM 1016 O GLY A 66 5.040 4.367 4.168 1.00 0.00 O ATOM 0 H GLY A 66 5.006 6.719 4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.434 5.857 5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.085 5.972 6.614 1.00 0.00 H new ATOM 1020 N TYR A 67 6.332 3.451 5.763 1.00 0.00 N ATOM 1021 CA TYR A 67 6.049 2.067 5.400 1.00 0.00 C ATOM 1022 C TYR A 67 6.307 1.089 6.553 1.00 0.00 C ATOM 1023 O TYR A 67 7.071 1.357 7.485 1.00 0.00 O ATOM 1024 CB TYR A 67 6.838 1.681 4.134 1.00 0.00 C ATOM 1025 CG TYR A 67 8.272 1.252 4.375 1.00 0.00 C ATOM 1026 CD1 TYR A 67 9.233 2.180 4.821 1.00 0.00 C ATOM 1027 CD2 TYR A 67 8.641 -0.092 4.175 1.00 0.00 C ATOM 1028 CE1 TYR A 67 10.554 1.770 5.080 1.00 0.00 C ATOM 1029 CE2 TYR A 67 9.956 -0.514 4.447 1.00 0.00 C ATOM 1030 CZ TYR A 67 10.921 0.418 4.893 1.00 0.00 C ATOM 1031 OH TYR A 67 12.202 0.018 5.129 1.00 0.00 O ATOM 0 H TYR A 67 6.939 3.546 6.577 1.00 0.00 H new ATOM 0 HA TYR A 67 4.984 1.993 5.182 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.312 0.870 3.630 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.839 2.531 3.452 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.954 3.213 4.965 1.00 0.00 H new ATOM 0 HD2 TYR A 67 7.912 -0.802 3.812 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.286 2.487 5.421 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.228 -1.551 4.315 1.00 0.00 H new ATOM 0 HH TYR A 67 12.375 -0.822 4.654 1.00 0.00 H new ATOM 1041 N ASP A 68 5.673 -0.067 6.445 1.00 0.00 N ATOM 1042 CA ASP A 68 5.886 -1.257 7.271 1.00 0.00 C ATOM 1043 C ASP A 68 6.056 -2.507 6.378 1.00 0.00 C ATOM 1044 O ASP A 68 6.051 -2.411 5.149 1.00 0.00 O ATOM 1045 CB ASP A 68 4.735 -1.377 8.287 1.00 0.00 C ATOM 1046 CG ASP A 68 5.213 -1.989 9.612 1.00 0.00 C ATOM 1047 OD1 ASP A 68 5.412 -3.226 9.658 1.00 0.00 O ATOM 1048 OD2 ASP A 68 5.399 -1.228 10.590 1.00 0.00 O ATOM 0 H ASP A 68 4.952 -0.214 5.738 1.00 0.00 H new ATOM 0 HA ASP A 68 6.811 -1.170 7.841 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.309 -0.391 8.473 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.940 -1.993 7.866 1.00 0.00 H new ATOM 1053 N SER A 69 6.221 -3.693 6.965 1.00 0.00 N ATOM 1054 CA SER A 69 6.595 -4.922 6.238 1.00 0.00 C ATOM 1055 C SER A 69 5.555 -5.401 5.201 1.00 0.00 C ATOM 1056 O SER A 69 5.900 -6.149 4.283 1.00 0.00 O ATOM 1057 CB SER A 69 6.872 -6.056 7.239 1.00 0.00 C ATOM 1058 OG SER A 69 7.875 -5.702 8.189 1.00 0.00 O ATOM 0 H SER A 69 6.099 -3.836 7.968 1.00 0.00 H new ATOM 0 HA SER A 69 7.490 -4.664 5.672 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.950 -6.309 7.763 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.186 -6.948 6.697 1.00 0.00 H new ATOM 0 HG SER A 69 8.019 -6.449 8.807 1.00 0.00 H new ATOM 1064 N ASN A 70 4.300 -4.947 5.316 1.00 0.00 N ATOM 1065 CA ASN A 70 3.185 -5.273 4.413 1.00 0.00 C ATOM 1066 C ASN A 70 2.238 -4.068 4.178 1.00 0.00 C ATOM 1067 O ASN A 70 1.111 -4.245 3.704 1.00 0.00 O ATOM 1068 CB ASN A 70 2.410 -6.492 4.960 1.00 0.00 C ATOM 1069 CG ASN A 70 3.245 -7.752 5.107 1.00 0.00 C ATOM 1070 OD1 ASN A 70 3.904 -7.981 6.117 1.00 0.00 O ATOM 1071 ND2 ASN A 70 3.197 -8.637 4.135 1.00 0.00 N ATOM 0 H ASN A 70 4.021 -4.318 6.069 1.00 0.00 H new ATOM 0 HA ASN A 70 3.608 -5.523 3.440 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.990 -6.234 5.932 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.571 -6.702 4.296 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.708 -9.516 4.220 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.649 -8.445 3.297 1.00 0.00 H new ATOM 1078 N LEU A 71 2.665 -2.845 4.523 1.00 0.00 N ATOM 1079 CA LEU A 71 1.818 -1.644 4.575 1.00 0.00 C ATOM 1080 C LEU A 71 2.592 -0.407 4.096 1.00 0.00 C ATOM 1081 O LEU A 71 3.766 -0.243 4.416 1.00 0.00 O ATOM 1082 CB LEU A 71 1.316 -1.469 6.027 1.00 0.00 C ATOM 1083 CG LEU A 71 0.098 -0.536 6.188 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -1.201 -1.228 5.743 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -0.059 -0.114 7.655 1.00 0.00 C ATOM 0 H LEU A 71 3.634 -2.658 4.780 1.00 0.00 H new ATOM 0 HA LEU A 71 0.965 -1.759 3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.059 -2.450 6.427 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.134 -1.082 6.634 1.00 0.00 H new ATOM 0 HG LEU A 71 0.274 0.337 5.559 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.040 -0.543 5.869 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.120 -1.513 4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.365 -2.119 6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.922 0.544 7.754 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.204 -0.999 8.275 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.838 0.413 7.980 1.00 0.00 H new ATOM 1097 N PHE A 72 1.932 0.472 3.350 1.00 0.00 N ATOM 1098 CA PHE A 72 2.474 1.719 2.813 1.00 0.00 C ATOM 1099 C PHE A 72 1.534 2.866 3.193 1.00 0.00 C ATOM 1100 O PHE A 72 0.330 2.783 2.953 1.00 0.00 O ATOM 1101 CB PHE A 72 2.602 1.570 1.288 1.00 0.00 C ATOM 1102 CG PHE A 72 2.994 2.839 0.555 1.00 0.00 C ATOM 1103 CD1 PHE A 72 4.257 3.423 0.776 1.00 0.00 C ATOM 1104 CD2 PHE A 72 2.094 3.433 -0.352 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.614 4.601 0.096 1.00 0.00 C ATOM 1106 CE2 PHE A 72 2.459 4.604 -1.039 1.00 0.00 C ATOM 1107 CZ PHE A 72 3.715 5.189 -0.811 1.00 0.00 C ATOM 0 H PHE A 72 0.956 0.329 3.089 1.00 0.00 H new ATOM 0 HA PHE A 72 3.459 1.938 3.224 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.343 0.800 1.073 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.650 1.217 0.891 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.950 2.966 1.467 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.124 2.989 -0.519 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.579 5.054 0.270 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.773 5.054 -1.742 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.991 6.093 -1.334 1.00 0.00 H new ATOM 1117 N SER A 73 2.064 3.930 3.795 1.00 0.00 N ATOM 1118 CA SER A 73 1.243 5.061 4.267 1.00 0.00 C ATOM 1119 C SER A 73 1.892 6.437 4.047 1.00 0.00 C ATOM 1120 O SER A 73 3.112 6.586 4.109 1.00 0.00 O ATOM 1121 CB SER A 73 0.889 4.851 5.746 1.00 0.00 C ATOM 1122 OG SER A 73 -0.055 5.803 6.209 1.00 0.00 O ATOM 0 H SER A 73 3.063 4.039 3.971 1.00 0.00 H new ATOM 0 HA SER A 73 0.337 5.071 3.661 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.488 3.847 5.883 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.795 4.917 6.348 1.00 0.00 H new ATOM 0 HG SER A 73 0.417 6.573 6.590 1.00 0.00 H new ATOM 1128 N PHE A 74 1.074 7.467 3.814 1.00 0.00 N ATOM 1129 CA PHE A 74 1.538 8.838 3.555 1.00 0.00 C ATOM 1130 C PHE A 74 0.511 9.909 3.945 1.00 0.00 C ATOM 1131 O PHE A 74 -0.692 9.651 3.993 1.00 0.00 O ATOM 1132 CB PHE A 74 1.989 8.978 2.090 1.00 0.00 C ATOM 1133 CG PHE A 74 0.930 8.627 1.062 1.00 0.00 C ATOM 1134 CD1 PHE A 74 0.020 9.604 0.611 1.00 0.00 C ATOM 1135 CD2 PHE A 74 0.848 7.313 0.559 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -0.965 9.267 -0.334 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -0.137 6.979 -0.386 1.00 0.00 C ATOM 1138 CZ PHE A 74 -1.042 7.956 -0.832 1.00 0.00 C ATOM 0 H PHE A 74 0.058 7.374 3.799 1.00 0.00 H new ATOM 0 HA PHE A 74 2.397 9.016 4.202 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.313 10.005 1.921 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.857 8.339 1.929 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.079 10.613 0.992 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.544 6.561 0.901 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -1.663 10.017 -0.677 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.198 5.971 -0.769 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.798 7.699 -1.559 1.00 0.00 H new ATOM 1148 N GLU A 75 1.008 11.116 4.229 1.00 0.00 N ATOM 1149 CA GLU A 75 0.218 12.296 4.581 1.00 0.00 C ATOM 1150 C GLU A 75 0.253 13.284 3.409 1.00 0.00 C ATOM 1151 O GLU A 75 1.320 13.741 2.988 1.00 0.00 O ATOM 1152 CB GLU A 75 0.760 12.912 5.885 1.00 0.00 C ATOM 1153 CG GLU A 75 -0.219 13.847 6.625 1.00 0.00 C ATOM 1154 CD GLU A 75 -0.235 15.324 6.179 1.00 0.00 C ATOM 1155 OE1 GLU A 75 0.779 15.832 5.651 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -1.252 16.010 6.447 1.00 0.00 O ATOM 0 H GLU A 75 2.011 11.304 4.219 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.822 12.026 4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.045 12.104 6.559 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.667 13.471 5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.226 13.446 6.510 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.018 13.815 7.689 1.00 0.00 H new ATOM 1163 N SER A 76 -0.921 13.595 2.871 1.00 0.00 N ATOM 1164 CA SER A 76 -1.101 14.527 1.753 1.00 0.00 C ATOM 1165 C SER A 76 -1.729 15.830 2.252 1.00 0.00 C ATOM 1166 O SER A 76 -2.698 15.794 3.015 1.00 0.00 O ATOM 1167 CB SER A 76 -2.011 13.918 0.676 1.00 0.00 C ATOM 1168 OG SER A 76 -1.440 12.751 0.109 1.00 0.00 O ATOM 0 H SER A 76 -1.799 13.198 3.206 1.00 0.00 H new ATOM 0 HA SER A 76 -0.120 14.728 1.322 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.980 13.675 1.113 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.190 14.654 -0.108 1.00 0.00 H new ATOM 0 HG SER A 76 -1.820 12.601 -0.782 1.00 0.00 H new ATOM 1174 N GLY A 77 -1.193 16.978 1.822 1.00 0.00 N ATOM 1175 CA GLY A 77 -1.628 18.312 2.252 1.00 0.00 C ATOM 1176 C GLY A 77 -2.966 18.768 1.661 1.00 0.00 C ATOM 1177 O GLY A 77 -3.566 18.108 0.813 1.00 0.00 O ATOM 0 H GLY A 77 -0.427 17.006 1.149 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.704 18.322 3.339 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.860 19.036 1.979 1.00 0.00 H new ATOM 1181 N ARG A 78 -3.420 19.951 2.093 1.00 0.00 N ATOM 1182 CA ARG A 78 -4.729 20.559 1.771 1.00 0.00 C ATOM 1183 C ARG A 78 -4.882 21.104 0.329 1.00 0.00 C ATOM 1184 O ARG A 78 -5.721 21.971 0.077 1.00 0.00 O ATOM 1185 CB ARG A 78 -5.069 21.605 2.851 1.00 0.00 C ATOM 1186 CG ARG A 78 -4.149 22.839 2.842 1.00 0.00 C ATOM 1187 CD ARG A 78 -4.365 23.704 4.089 1.00 0.00 C ATOM 1188 NE ARG A 78 -5.726 24.272 4.144 1.00 0.00 N ATOM 1189 CZ ARG A 78 -6.434 24.537 5.238 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -5.965 24.319 6.450 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -7.647 25.035 5.123 1.00 0.00 N ATOM 0 H ARG A 78 -2.862 20.544 2.707 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.464 19.754 1.787 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.099 21.932 2.713 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.014 21.131 3.831 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.108 22.519 2.795 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.341 23.432 1.948 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.187 23.103 4.981 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.635 24.513 4.099 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.170 24.483 3.250 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.028 23.934 6.573 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.539 24.535 7.265 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.039 25.215 4.199 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.195 25.240 5.958 1.00 0.00 H new ATOM 1205 N ARG A 79 -4.061 20.618 -0.613 1.00 0.00 N ATOM 1206 CA ARG A 79 -3.899 21.129 -1.987 1.00 0.00 C ATOM 1207 C ARG A 79 -4.139 20.050 -3.069 1.00 0.00 C ATOM 1208 O ARG A 79 -3.735 20.226 -4.221 1.00 0.00 O ATOM 1209 CB ARG A 79 -2.494 21.753 -2.128 1.00 0.00 C ATOM 1210 CG ARG A 79 -2.217 22.905 -1.144 1.00 0.00 C ATOM 1211 CD ARG A 79 -0.823 23.510 -1.356 1.00 0.00 C ATOM 1212 NE ARG A 79 -0.730 24.256 -2.626 1.00 0.00 N ATOM 1213 CZ ARG A 79 0.384 24.639 -3.240 1.00 0.00 C ATOM 1214 NH1 ARG A 79 1.579 24.363 -2.760 1.00 0.00 N ATOM 1215 NH2 ARG A 79 0.307 25.320 -4.363 1.00 0.00 N ATOM 0 H ARG A 79 -3.459 19.815 -0.430 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.664 21.888 -2.154 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.746 20.975 -1.979 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.372 22.122 -3.146 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.973 23.680 -1.269 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.303 22.538 -0.121 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.587 24.176 -0.526 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.078 22.715 -1.348 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.610 24.503 -3.078 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.670 23.839 -1.890 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.413 24.673 -3.259 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.605 25.551 -4.758 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.159 25.617 -4.839 1.00 0.00 H new ATOM 1229 N CYS A 80 -4.775 18.927 -2.714 1.00 0.00 N ATOM 1230 CA CYS A 80 -5.010 17.764 -3.585 1.00 0.00 C ATOM 1231 C CYS A 80 -6.489 17.316 -3.596 1.00 0.00 C ATOM 1232 O CYS A 80 -7.302 17.776 -2.790 1.00 0.00 O ATOM 1233 CB CYS A 80 -4.036 16.643 -3.175 1.00 0.00 C ATOM 1234 SG CYS A 80 -4.450 16.003 -1.525 1.00 0.00 S ATOM 0 H CYS A 80 -5.155 18.796 -1.777 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.809 18.041 -4.620 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -4.077 15.834 -3.905 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -3.014 17.023 -3.177 1.00 0.00 H new ATOM 0 HG CYS A 80 -4.103 16.872 -0.623 1.00 0.00 H new ATOM 1240 N GLN A 81 -6.834 16.419 -4.525 1.00 0.00 N ATOM 1241 CA GLN A 81 -8.214 16.021 -4.850 1.00 0.00 C ATOM 1242 C GLN A 81 -8.971 15.367 -3.678 1.00 0.00 C ATOM 1243 O GLN A 81 -10.186 15.543 -3.564 1.00 0.00 O ATOM 1244 CB GLN A 81 -8.138 15.101 -6.086 1.00 0.00 C ATOM 1245 CG GLN A 81 -9.487 14.646 -6.679 1.00 0.00 C ATOM 1246 CD GLN A 81 -10.161 13.455 -5.986 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -9.436 12.420 -5.612 1.00 0.00 O flip ATOM 1248 NE2 GLN A 81 -11.371 13.394 -5.824 1.00 0.00 N flip ATOM 0 H GLN A 81 -6.140 15.932 -5.092 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.803 16.913 -5.064 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -7.578 15.619 -6.865 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -7.565 14.214 -5.818 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.175 15.491 -6.655 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.332 14.390 -7.727 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.963 14.177 -6.102 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.789 12.560 -5.411 1.00 0.00 H new ATOM 1257 N THR A 82 -8.261 14.658 -2.791 1.00 0.00 N ATOM 1258 CA THR A 82 -8.815 13.970 -1.609 1.00 0.00 C ATOM 1259 C THR A 82 -8.898 14.845 -0.357 1.00 0.00 C ATOM 1260 O THR A 82 -9.393 14.383 0.673 1.00 0.00 O ATOM 1261 CB THR A 82 -7.985 12.721 -1.295 1.00 0.00 C ATOM 1262 OG1 THR A 82 -6.623 13.079 -1.177 1.00 0.00 O ATOM 1263 CG2 THR A 82 -8.111 11.678 -2.401 1.00 0.00 C ATOM 0 H THR A 82 -7.251 14.541 -2.876 1.00 0.00 H new ATOM 0 HA THR A 82 -9.839 13.705 -1.873 1.00 0.00 H new ATOM 0 HB THR A 82 -8.359 12.297 -0.363 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.257 12.706 -0.348 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.510 10.805 -2.148 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.155 11.383 -2.505 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.758 12.101 -3.342 1.00 0.00 H new ATOM 1271 N GLY A 83 -8.397 16.083 -0.420 1.00 0.00 N ATOM 1272 CA GLY A 83 -8.203 16.954 0.745 1.00 0.00 C ATOM 1273 C GLY A 83 -7.023 16.500 1.612 1.00 0.00 C ATOM 1274 O GLY A 83 -6.329 15.533 1.287 1.00 0.00 O ATOM 0 H GLY A 83 -8.110 16.516 -1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.033 17.977 0.409 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.112 16.963 1.346 1.00 0.00 H new ATOM 1278 N GLN A 84 -6.797 17.194 2.730 1.00 0.00 N ATOM 1279 CA GLN A 84 -5.749 16.804 3.676 1.00 0.00 C ATOM 1280 C GLN A 84 -6.126 15.505 4.405 1.00 0.00 C ATOM 1281 O GLN A 84 -7.249 15.367 4.899 1.00 0.00 O ATOM 1282 CB GLN A 84 -5.445 17.943 4.667 1.00 0.00 C ATOM 1283 CG GLN A 84 -4.223 17.589 5.535 1.00 0.00 C ATOM 1284 CD GLN A 84 -3.732 18.700 6.463 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -4.346 19.746 6.648 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -2.584 18.501 7.079 1.00 0.00 N ATOM 0 H GLN A 84 -7.323 18.025 3.001 1.00 0.00 H new ATOM 0 HA GLN A 84 -4.836 16.612 3.112 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.256 18.867 4.121 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.312 18.121 5.304 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.469 16.716 6.140 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.403 17.300 4.877 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -2.069 17.634 6.929 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -2.211 19.214 7.705 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.180 14.565 4.500 1.00 0.00 N ATOM 1296 CA GLY A 85 -5.375 13.303 5.217 1.00 0.00 C ATOM 1297 C GLY A 85 -4.174 12.361 5.201 1.00 0.00 C ATOM 1298 O GLY A 85 -3.225 12.541 4.436 1.00 0.00 O ATOM 0 H GLY A 85 -4.255 14.659 4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.629 13.526 6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.230 12.785 4.784 1.00 0.00 H new ATOM 1302 N ILE A 86 -4.251 11.330 6.045 1.00 0.00 N ATOM 1303 CA ILE A 86 -3.330 10.182 6.064 1.00 0.00 C ATOM 1304 C ILE A 86 -4.020 9.014 5.351 1.00 0.00 C ATOM 1305 O ILE A 86 -5.110 8.606 5.757 1.00 0.00 O ATOM 1306 CB ILE A 86 -2.935 9.813 7.516 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -2.192 10.978 8.211 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -2.065 8.539 7.522 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -2.002 10.779 9.721 1.00 0.00 C ATOM 0 H ILE A 86 -4.977 11.265 6.758 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.404 10.431 5.546 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.850 9.621 8.077 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.215 11.103 7.745 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.746 11.902 8.043 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.793 8.289 8.547 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.626 7.713 7.084 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.161 8.713 6.939 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.474 11.637 10.137 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.976 10.685 10.201 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.421 9.874 9.898 1.00 0.00 H new ATOM 1321 N PHE A 87 -3.382 8.476 4.312 1.00 0.00 N ATOM 1322 CA PHE A 87 -3.912 7.413 3.456 1.00 0.00 C ATOM 1323 C PHE A 87 -2.976 6.199 3.503 1.00 0.00 C ATOM 1324 O PHE A 87 -1.764 6.344 3.331 1.00 0.00 O ATOM 1325 CB PHE A 87 -4.067 7.948 2.022 1.00 0.00 C ATOM 1326 CG PHE A 87 -4.984 9.151 1.901 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -6.379 8.969 1.810 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -4.449 10.456 1.906 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -7.232 10.084 1.726 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -5.305 11.569 1.836 1.00 0.00 C ATOM 1331 CZ PHE A 87 -6.695 11.383 1.751 1.00 0.00 C ATOM 0 H PHE A 87 -2.449 8.779 4.033 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.892 7.096 3.812 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.083 8.216 1.638 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.450 7.149 1.388 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.793 7.972 1.805 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.380 10.600 1.964 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.299 9.942 1.642 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.894 12.568 1.848 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.352 12.239 1.705 1.00 0.00 H new ATOM 1341 N ALA A 88 -3.539 5.007 3.736 1.00 0.00 N ATOM 1342 CA ALA A 88 -2.780 3.781 3.981 1.00 0.00 C ATOM 1343 C ALA A 88 -3.328 2.576 3.206 1.00 0.00 C ATOM 1344 O ALA A 88 -4.544 2.387 3.063 1.00 0.00 O ATOM 1345 CB ALA A 88 -2.753 3.503 5.486 1.00 0.00 C ATOM 0 H ALA A 88 -4.549 4.868 3.759 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.765 3.933 3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.189 2.590 5.677 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.278 4.338 6.002 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.773 3.383 5.852 1.00 0.00 H new ATOM 1351 N PHE A 89 -2.393 1.757 2.724 1.00 0.00 N ATOM 1352 CA PHE A 89 -2.642 0.668 1.784 1.00 0.00 C ATOM 1353 C PHE A 89 -1.795 -0.562 2.120 1.00 0.00 C ATOM 1354 O PHE A 89 -0.601 -0.446 2.389 1.00 0.00 O ATOM 1355 CB PHE A 89 -2.329 1.132 0.350 1.00 0.00 C ATOM 1356 CG PHE A 89 -2.986 2.429 -0.079 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.404 3.665 0.265 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -4.183 2.403 -0.815 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -3.041 4.867 -0.086 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -4.807 3.606 -1.181 1.00 0.00 C ATOM 1361 CZ PHE A 89 -4.242 4.839 -0.811 1.00 0.00 C ATOM 0 H PHE A 89 -1.411 1.837 2.987 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.694 0.392 1.861 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.249 1.243 0.251 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.633 0.346 -0.341 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.466 3.689 0.800 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.622 1.458 -1.099 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.606 5.813 0.202 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.725 3.584 -1.749 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.731 5.762 -1.084 1.00 0.00 H new ATOM 1371 N LYS A 90 -2.386 -1.755 2.053 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.656 -3.018 2.150 1.00 0.00 C ATOM 1373 C LYS A 90 -0.966 -3.331 0.821 1.00 0.00 C ATOM 1374 O LYS A 90 -1.555 -3.164 -0.250 1.00 0.00 O ATOM 1375 CB LYS A 90 -2.599 -4.155 2.574 1.00 0.00 C ATOM 1376 CG LYS A 90 -2.982 -4.017 4.053 1.00 0.00 C ATOM 1377 CD LYS A 90 -4.030 -5.038 4.517 1.00 0.00 C ATOM 1378 CE LYS A 90 -3.470 -6.453 4.729 1.00 0.00 C ATOM 1379 NZ LYS A 90 -3.477 -7.276 3.490 1.00 0.00 N ATOM 0 H LYS A 90 -3.392 -1.872 1.929 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.887 -2.924 2.916 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.498 -4.138 1.957 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.115 -5.117 2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.085 -4.127 4.663 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.365 -3.012 4.228 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.474 -4.690 5.450 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.832 -5.082 3.780 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.449 -6.381 5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.056 -6.958 5.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.402 -8.282 3.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.363 -7.114 2.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.670 -7.008 2.891 1.00 0.00 H new ATOM 1393 N CYS A 91 0.277 -3.802 0.912 1.00 0.00 N ATOM 1394 CA CYS A 91 1.110 -4.223 -0.212 1.00 0.00 C ATOM 1395 C CYS A 91 2.324 -5.019 0.294 1.00 0.00 C ATOM 1396 O CYS A 91 3.075 -4.532 1.137 1.00 0.00 O ATOM 1397 CB CYS A 91 1.557 -2.981 -1.007 1.00 0.00 C ATOM 1398 SG CYS A 91 2.404 -3.505 -2.525 1.00 0.00 S ATOM 0 H CYS A 91 0.750 -3.905 1.810 1.00 0.00 H new ATOM 0 HA CYS A 91 0.534 -4.874 -0.870 1.00 0.00 H new ATOM 0 HB2 CYS A 91 0.693 -2.364 -1.255 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.223 -2.368 -0.400 1.00 0.00 H new ATOM 0 HG CYS A 91 1.532 -3.663 -3.476 1.00 0.00 H new ATOM 1404 N SER A 92 2.568 -6.213 -0.243 1.00 0.00 N ATOM 1405 CA SER A 92 3.758 -7.018 0.104 1.00 0.00 C ATOM 1406 C SER A 92 5.077 -6.393 -0.409 1.00 0.00 C ATOM 1407 O SER A 92 6.164 -6.726 0.071 1.00 0.00 O ATOM 1408 CB SER A 92 3.569 -8.447 -0.428 1.00 0.00 C ATOM 1409 OG SER A 92 4.453 -9.364 0.201 1.00 0.00 O ATOM 0 H SER A 92 1.956 -6.656 -0.928 1.00 0.00 H new ATOM 0 HA SER A 92 3.848 -7.040 1.190 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.539 -8.763 -0.263 1.00 0.00 H new ATOM 0 HB3 SER A 92 3.738 -8.460 -1.505 1.00 0.00 H new ATOM 0 HG SER A 92 4.304 -10.263 -0.161 1.00 0.00 H new ATOM 1415 N ARG A 93 4.980 -5.433 -1.343 1.00 0.00 N ATOM 1416 CA ARG A 93 6.099 -4.697 -1.951 1.00 0.00 C ATOM 1417 C ARG A 93 6.196 -3.241 -1.452 1.00 0.00 C ATOM 1418 O ARG A 93 6.863 -2.418 -2.079 1.00 0.00 O ATOM 1419 CB ARG A 93 6.009 -4.776 -3.490 1.00 0.00 C ATOM 1420 CG ARG A 93 5.802 -6.213 -4.011 1.00 0.00 C ATOM 1421 CD ARG A 93 6.043 -6.344 -5.522 1.00 0.00 C ATOM 1422 NE ARG A 93 7.482 -6.301 -5.828 1.00 0.00 N ATOM 1423 CZ ARG A 93 8.292 -7.309 -6.113 1.00 0.00 C ATOM 1424 NH1 ARG A 93 7.876 -8.542 -6.309 1.00 0.00 N ATOM 1425 NH2 ARG A 93 9.574 -7.060 -6.212 1.00 0.00 N ATOM 0 H ARG A 93 4.077 -5.135 -1.712 1.00 0.00 H new ATOM 0 HA ARG A 93 7.024 -5.177 -1.633 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.185 -4.150 -3.832 1.00 0.00 H new ATOM 0 HB3 ARG A 93 6.922 -4.367 -3.923 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.476 -6.886 -3.481 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.786 -6.534 -3.782 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.618 -7.281 -5.883 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.531 -5.538 -6.048 1.00 0.00 H new ATOM 0 HE ARG A 93 7.911 -5.375 -5.819 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.882 -8.761 -6.244 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.548 -9.278 -6.526 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.922 -6.112 -6.071 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.225 -7.815 -6.430 1.00 0.00 H new ATOM 1439 N ALA A 94 5.556 -2.902 -0.325 1.00 0.00 N ATOM 1440 CA ALA A 94 5.498 -1.547 0.248 1.00 0.00 C ATOM 1441 C ALA A 94 6.867 -0.852 0.406 1.00 0.00 C ATOM 1442 O ALA A 94 6.963 0.355 0.189 1.00 0.00 O ATOM 1443 CB ALA A 94 4.791 -1.642 1.604 1.00 0.00 C ATOM 0 H ALA A 94 5.046 -3.586 0.234 1.00 0.00 H new ATOM 0 HA ALA A 94 4.951 -0.921 -0.456 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.733 -0.651 2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.785 -2.036 1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.352 -2.307 2.261 1.00 0.00 H new ATOM 1449 N GLU A 95 7.925 -1.609 0.714 1.00 0.00 N ATOM 1450 CA GLU A 95 9.303 -1.107 0.793 1.00 0.00 C ATOM 1451 C GLU A 95 9.811 -0.564 -0.556 1.00 0.00 C ATOM 1452 O GLU A 95 10.508 0.451 -0.590 1.00 0.00 O ATOM 1453 CB GLU A 95 10.213 -2.237 1.306 1.00 0.00 C ATOM 1454 CG GLU A 95 11.665 -1.793 1.523 1.00 0.00 C ATOM 1455 CD GLU A 95 12.477 -2.882 2.241 1.00 0.00 C ATOM 1456 OE1 GLU A 95 12.956 -3.824 1.567 1.00 0.00 O ATOM 1457 OE2 GLU A 95 12.646 -2.798 3.481 1.00 0.00 O ATOM 0 H GLU A 95 7.848 -2.605 0.919 1.00 0.00 H new ATOM 0 HA GLU A 95 9.323 -0.266 1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.813 -2.619 2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.195 -3.061 0.593 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.126 -1.566 0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.684 -0.875 2.110 1.00 0.00 H new ATOM 1464 N GLU A 96 9.436 -1.193 -1.674 1.00 0.00 N ATOM 1465 CA GLU A 96 9.812 -0.728 -3.010 1.00 0.00 C ATOM 1466 C GLU A 96 9.011 0.515 -3.414 1.00 0.00 C ATOM 1467 O GLU A 96 9.565 1.398 -4.065 1.00 0.00 O ATOM 1468 CB GLU A 96 9.621 -1.836 -4.058 1.00 0.00 C ATOM 1469 CG GLU A 96 10.536 -3.043 -3.805 1.00 0.00 C ATOM 1470 CD GLU A 96 10.484 -4.060 -4.952 1.00 0.00 C ATOM 1471 OE1 GLU A 96 9.388 -4.317 -5.498 1.00 0.00 O ATOM 1472 OE2 GLU A 96 11.530 -4.657 -5.293 1.00 0.00 O ATOM 0 H GLU A 96 8.864 -2.038 -1.677 1.00 0.00 H new ATOM 0 HA GLU A 96 10.868 -0.462 -2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.581 -2.164 -4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.822 -1.433 -5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.562 -2.698 -3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.242 -3.531 -2.876 1.00 0.00 H new ATOM 1479 N ILE A 97 7.747 0.639 -2.981 1.00 0.00 N ATOM 1480 CA ILE A 97 6.957 1.869 -3.185 1.00 0.00 C ATOM 1481 C ILE A 97 7.591 3.033 -2.414 1.00 0.00 C ATOM 1482 O ILE A 97 7.804 4.096 -2.995 1.00 0.00 O ATOM 1483 CB ILE A 97 5.463 1.707 -2.804 1.00 0.00 C ATOM 1484 CG1 ILE A 97 4.832 0.427 -3.400 1.00 0.00 C ATOM 1485 CG2 ILE A 97 4.696 2.953 -3.295 1.00 0.00 C ATOM 1486 CD1 ILE A 97 3.361 0.211 -3.018 1.00 0.00 C ATOM 0 H ILE A 97 7.246 -0.099 -2.485 1.00 0.00 H new ATOM 0 HA ILE A 97 6.975 2.084 -4.253 1.00 0.00 H new ATOM 0 HB ILE A 97 5.396 1.611 -1.720 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.911 0.469 -4.486 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.411 -0.436 -3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.642 2.857 -3.036 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.107 3.844 -2.820 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.797 3.040 -4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.997 -0.708 -3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.274 0.134 -1.934 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.766 1.053 -3.371 1.00 0.00 H new ATOM 1498 N PHE A 98 7.948 2.829 -1.140 1.00 0.00 N ATOM 1499 CA PHE A 98 8.607 3.832 -0.307 1.00 0.00 C ATOM 1500 C PHE A 98 9.959 4.284 -0.884 1.00 0.00 C ATOM 1501 O PHE A 98 10.233 5.484 -0.949 1.00 0.00 O ATOM 1502 CB PHE A 98 8.756 3.236 1.096 1.00 0.00 C ATOM 1503 CG PHE A 98 9.560 4.078 2.063 1.00 0.00 C ATOM 1504 CD1 PHE A 98 8.933 5.090 2.814 1.00 0.00 C ATOM 1505 CD2 PHE A 98 10.936 3.833 2.226 1.00 0.00 C ATOM 1506 CE1 PHE A 98 9.680 5.841 3.739 1.00 0.00 C ATOM 1507 CE2 PHE A 98 11.683 4.587 3.147 1.00 0.00 C ATOM 1508 CZ PHE A 98 11.053 5.584 3.911 1.00 0.00 C ATOM 0 H PHE A 98 7.783 1.947 -0.655 1.00 0.00 H new ATOM 0 HA PHE A 98 7.999 4.736 -0.273 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.762 3.077 1.515 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.227 2.257 1.011 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.880 5.289 2.680 1.00 0.00 H new ATOM 0 HD2 PHE A 98 11.419 3.064 1.642 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.200 6.616 4.318 1.00 0.00 H new ATOM 0 HE2 PHE A 98 12.740 4.400 3.267 1.00 0.00 H new ATOM 0 HZ PHE A 98 11.623 6.153 4.631 1.00 0.00 H new ATOM 1518 N ASN A 99 10.790 3.344 -1.349 1.00 0.00 N ATOM 1519 CA ASN A 99 12.077 3.667 -1.967 1.00 0.00 C ATOM 1520 C ASN A 99 11.920 4.374 -3.322 1.00 0.00 C ATOM 1521 O ASN A 99 12.619 5.357 -3.575 1.00 0.00 O ATOM 1522 CB ASN A 99 12.936 2.401 -2.096 1.00 0.00 C ATOM 1523 CG ASN A 99 13.537 1.972 -0.761 1.00 0.00 C ATOM 1524 OD1 ASN A 99 13.988 2.789 0.034 1.00 0.00 O ATOM 1525 ND2 ASN A 99 13.582 0.680 -0.491 1.00 0.00 N ATOM 0 H ASN A 99 10.589 2.345 -1.307 1.00 0.00 H new ATOM 0 HA ASN A 99 12.586 4.373 -1.311 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.327 1.590 -2.495 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.738 2.580 -2.812 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.994 0.356 0.384 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.205 0.006 -1.157 1.00 0.00 H new ATOM 1532 N LEU A 100 10.980 3.936 -4.167 1.00 0.00 N ATOM 1533 CA LEU A 100 10.697 4.578 -5.452 1.00 0.00 C ATOM 1534 C LEU A 100 10.135 5.994 -5.253 1.00 0.00 C ATOM 1535 O LEU A 100 10.571 6.919 -5.934 1.00 0.00 O ATOM 1536 CB LEU A 100 9.756 3.662 -6.255 1.00 0.00 C ATOM 1537 CG LEU A 100 9.398 4.188 -7.655 1.00 0.00 C ATOM 1538 CD1 LEU A 100 10.637 4.339 -8.553 1.00 0.00 C ATOM 1539 CD2 LEU A 100 8.398 3.238 -8.326 1.00 0.00 C ATOM 0 H LEU A 100 10.393 3.124 -3.977 1.00 0.00 H new ATOM 0 HA LEU A 100 11.617 4.709 -6.022 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.223 2.682 -6.357 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.836 3.520 -5.688 1.00 0.00 H new ATOM 0 HG LEU A 100 8.955 5.176 -7.528 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.334 4.713 -9.531 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.334 5.041 -8.096 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.122 3.370 -8.670 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.147 3.615 -9.318 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.842 2.247 -8.416 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.493 3.177 -7.722 1.00 0.00 H new ATOM 1551 N LEU A 101 9.240 6.189 -4.281 1.00 0.00 N ATOM 1552 CA LEU A 101 8.687 7.494 -3.911 1.00 0.00 C ATOM 1553 C LEU A 101 9.786 8.513 -3.601 1.00 0.00 C ATOM 1554 O LEU A 101 9.820 9.577 -4.224 1.00 0.00 O ATOM 1555 CB LEU A 101 7.726 7.316 -2.714 1.00 0.00 C ATOM 1556 CG LEU A 101 7.108 8.628 -2.194 1.00 0.00 C ATOM 1557 CD1 LEU A 101 6.249 9.276 -3.280 1.00 0.00 C ATOM 1558 CD2 LEU A 101 6.247 8.371 -0.953 1.00 0.00 C ATOM 0 H LEU A 101 8.871 5.424 -3.716 1.00 0.00 H new ATOM 0 HA LEU A 101 8.132 7.893 -4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.922 6.641 -3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.266 6.835 -1.899 1.00 0.00 H new ATOM 0 HG LEU A 101 7.923 9.300 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.818 10.202 -2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.867 9.494 -4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.448 8.594 -3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.821 9.312 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.442 7.680 -1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.864 7.938 -0.166 1.00 0.00 H new ATOM 1570 N GLN A 102 10.692 8.186 -2.672 1.00 0.00 N ATOM 1571 CA GLN A 102 11.760 9.111 -2.301 1.00 0.00 C ATOM 1572 C GLN A 102 12.755 9.353 -3.447 1.00 0.00 C ATOM 1573 O GLN A 102 13.290 10.455 -3.558 1.00 0.00 O ATOM 1574 CB GLN A 102 12.449 8.686 -0.996 1.00 0.00 C ATOM 1575 CG GLN A 102 13.262 7.381 -1.019 1.00 0.00 C ATOM 1576 CD GLN A 102 14.022 7.129 0.291 1.00 0.00 C ATOM 1577 OE1 GLN A 102 14.437 8.042 0.996 1.00 0.00 O ATOM 1578 NE2 GLN A 102 14.243 5.891 0.687 1.00 0.00 N ATOM 0 H GLN A 102 10.705 7.298 -2.171 1.00 0.00 H new ATOM 0 HA GLN A 102 11.292 10.076 -2.109 1.00 0.00 H new ATOM 0 HB2 GLN A 102 13.115 9.492 -0.688 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.684 8.593 -0.226 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.591 6.544 -1.211 1.00 0.00 H new ATOM 0 HG3 GLN A 102 13.973 7.416 -1.845 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.911 5.108 0.123 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.746 5.716 1.557 1.00 0.00 H new ATOM 1587 N ASP A 103 12.954 8.375 -4.339 1.00 0.00 N ATOM 1588 CA ASP A 103 13.826 8.530 -5.509 1.00 0.00 C ATOM 1589 C ASP A 103 13.283 9.530 -6.536 1.00 0.00 C ATOM 1590 O ASP A 103 14.019 10.371 -7.048 1.00 0.00 O ATOM 1591 CB ASP A 103 14.074 7.188 -6.214 1.00 0.00 C ATOM 1592 CG ASP A 103 15.407 7.202 -6.987 1.00 0.00 C ATOM 1593 OD1 ASP A 103 16.424 7.689 -6.434 1.00 0.00 O ATOM 1594 OD2 ASP A 103 15.434 6.707 -8.139 1.00 0.00 O ATOM 0 H ASP A 103 12.516 7.456 -4.270 1.00 0.00 H new ATOM 0 HA ASP A 103 14.764 8.920 -5.114 1.00 0.00 H new ATOM 0 HB2 ASP A 103 14.086 6.384 -5.478 1.00 0.00 H new ATOM 0 HB3 ASP A 103 13.254 6.978 -6.901 1.00 0.00 H new ATOM 1599 N LEU A 104 11.986 9.457 -6.834 1.00 0.00 N ATOM 1600 CA LEU A 104 11.360 10.281 -7.866 1.00 0.00 C ATOM 1601 C LEU A 104 11.155 11.723 -7.394 1.00 0.00 C ATOM 1602 O LEU A 104 11.242 12.650 -8.201 1.00 0.00 O ATOM 1603 CB LEU A 104 10.048 9.614 -8.296 1.00 0.00 C ATOM 1604 CG LEU A 104 10.255 8.214 -8.916 1.00 0.00 C ATOM 1605 CD1 LEU A 104 8.888 7.544 -9.045 1.00 0.00 C ATOM 1606 CD2 LEU A 104 10.920 8.271 -10.299 1.00 0.00 C ATOM 0 H LEU A 104 11.339 8.823 -6.365 1.00 0.00 H new ATOM 0 HA LEU A 104 12.021 10.348 -8.730 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.390 9.528 -7.431 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.542 10.254 -9.019 1.00 0.00 H new ATOM 0 HG LEU A 104 10.921 7.650 -8.263 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.009 6.552 -9.481 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.433 7.454 -8.059 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.246 8.147 -9.687 1.00 0.00 H new ATOM 0 HD21 LEU A 104 11.041 7.259 -10.687 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.295 8.848 -10.980 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.897 8.746 -10.213 1.00 0.00 H new ATOM 1618 N MET A 105 10.976 11.936 -6.086 1.00 0.00 N ATOM 1619 CA MET A 105 10.897 13.279 -5.500 1.00 0.00 C ATOM 1620 C MET A 105 12.273 13.929 -5.256 1.00 0.00 C ATOM 1621 O MET A 105 12.361 15.158 -5.266 1.00 0.00 O ATOM 1622 CB MET A 105 9.985 13.257 -4.266 1.00 0.00 C ATOM 1623 CG MET A 105 10.595 12.625 -3.022 1.00 0.00 C ATOM 1624 SD MET A 105 9.382 12.181 -1.745 1.00 0.00 S ATOM 1625 CE MET A 105 8.666 13.799 -1.358 1.00 0.00 C ATOM 0 H MET A 105 10.882 11.183 -5.404 1.00 0.00 H new ATOM 0 HA MET A 105 10.438 13.941 -6.234 1.00 0.00 H new ATOM 0 HB2 MET A 105 9.695 14.281 -4.029 1.00 0.00 H new ATOM 0 HB3 MET A 105 9.072 12.718 -4.518 1.00 0.00 H new ATOM 0 HG2 MET A 105 11.143 11.729 -3.314 1.00 0.00 H new ATOM 0 HG3 MET A 105 11.320 13.317 -2.594 1.00 0.00 H new ATOM 0 HE1 MET A 105 8.375 13.826 -0.308 1.00 0.00 H new ATOM 0 HE2 MET A 105 9.403 14.579 -1.551 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.788 13.967 -1.982 1.00 0.00 H new ATOM 2019 N PHE A 136 -10.272 6.389 2.484 1.00 0.00 N ATOM 2020 CA PHE A 136 -10.361 6.479 3.945 1.00 0.00 C ATOM 2021 C PHE A 136 -9.185 7.276 4.539 1.00 0.00 C ATOM 2022 O PHE A 136 -8.025 6.883 4.388 1.00 0.00 O ATOM 2023 CB PHE A 136 -10.457 5.057 4.524 1.00 0.00 C ATOM 2024 CG PHE A 136 -10.925 5.002 5.968 1.00 0.00 C ATOM 2025 CD1 PHE A 136 -10.018 5.223 7.025 1.00 0.00 C ATOM 2026 CD2 PHE A 136 -12.277 4.732 6.258 1.00 0.00 C ATOM 2027 CE1 PHE A 136 -10.466 5.175 8.358 1.00 0.00 C ATOM 2028 CE2 PHE A 136 -12.720 4.679 7.593 1.00 0.00 C ATOM 2029 CZ PHE A 136 -11.813 4.901 8.644 1.00 0.00 C ATOM 0 HA PHE A 136 -11.259 7.031 4.221 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -11.142 4.472 3.910 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -9.479 4.581 4.453 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -8.980 5.429 6.811 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -12.977 4.565 5.452 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -9.770 5.350 9.165 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -13.757 4.468 7.810 1.00 0.00 H new ATOM 0 HZ PHE A 136 -12.152 4.861 9.669 1.00 0.00 H new ATOM 2039 N ARG A 137 -9.497 8.375 5.242 1.00 0.00 N ATOM 2040 CA ARG A 137 -8.527 9.181 5.996 1.00 0.00 C ATOM 2041 C ARG A 137 -8.348 8.604 7.407 1.00 0.00 C ATOM 2042 O ARG A 137 -9.318 8.505 8.162 1.00 0.00 O ATOM 2043 CB ARG A 137 -8.973 10.656 6.099 1.00 0.00 C ATOM 2044 CG ARG A 137 -8.813 11.479 4.807 1.00 0.00 C ATOM 2045 CD ARG A 137 -10.023 11.449 3.862 1.00 0.00 C ATOM 2046 NE ARG A 137 -11.169 12.203 4.409 1.00 0.00 N ATOM 2047 CZ ARG A 137 -11.643 13.375 3.992 1.00 0.00 C ATOM 2048 NH1 ARG A 137 -11.118 14.055 2.995 1.00 0.00 N ATOM 2049 NH2 ARG A 137 -12.690 13.903 4.588 1.00 0.00 N ATOM 0 H ARG A 137 -10.449 8.735 5.303 1.00 0.00 H new ATOM 0 HA ARG A 137 -7.580 9.146 5.458 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -10.020 10.682 6.401 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.401 11.138 6.892 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -8.608 12.515 5.077 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -7.940 11.112 4.267 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -9.740 11.869 2.897 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -10.320 10.415 3.685 1.00 0.00 H new ATOM 0 HE ARG A 137 -11.654 11.776 5.198 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -10.306 13.688 2.499 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -11.523 14.949 2.718 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -13.134 13.415 5.365 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -13.057 14.801 4.273 1.00 0.00 H new ATOM 2063 N LEU A 138 -7.115 8.255 7.783 1.00 0.00 N ATOM 2064 CA LEU A 138 -6.771 7.812 9.140 1.00 0.00 C ATOM 2065 C LEU A 138 -6.598 8.999 10.101 1.00 0.00 C ATOM 2066 O LEU A 138 -6.096 10.058 9.717 1.00 0.00 O ATOM 2067 CB LEU A 138 -5.492 6.954 9.116 1.00 0.00 C ATOM 2068 CG LEU A 138 -5.562 5.652 8.296 1.00 0.00 C ATOM 2069 CD1 LEU A 138 -4.216 4.934 8.402 1.00 0.00 C ATOM 2070 CD2 LEU A 138 -6.651 4.706 8.808 1.00 0.00 C ATOM 0 H LEU A 138 -6.317 8.272 7.148 1.00 0.00 H new ATOM 0 HA LEU A 138 -7.600 7.207 9.508 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -4.678 7.563 8.723 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -5.231 6.698 10.143 1.00 0.00 H new ATOM 0 HG LEU A 138 -5.798 5.919 7.266 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -4.250 4.009 7.826 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -3.429 5.577 8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -4.008 4.703 9.447 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -6.663 3.802 8.199 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.446 4.442 9.846 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.621 5.199 8.744 1.00 0.00 H new ATOM 2082 N ARG A 139 -6.976 8.790 11.368 1.00 0.00 N ATOM 2083 CA ARG A 139 -6.784 9.744 12.476 1.00 0.00 C ATOM 2084 C ARG A 139 -5.329 9.818 12.973 1.00 0.00 C ATOM 2085 O ARG A 139 -4.898 10.838 13.511 1.00 0.00 O ATOM 2086 CB ARG A 139 -7.690 9.334 13.646 1.00 0.00 C ATOM 2087 CG ARG A 139 -9.172 9.636 13.365 1.00 0.00 C ATOM 2088 CD ARG A 139 -10.073 9.286 14.557 1.00 0.00 C ATOM 2089 NE ARG A 139 -10.168 7.828 14.778 1.00 0.00 N ATOM 2090 CZ ARG A 139 -10.629 7.228 15.869 1.00 0.00 C ATOM 2091 NH1 ARG A 139 -11.046 7.913 16.917 1.00 0.00 N ATOM 2092 NH2 ARG A 139 -10.683 5.915 15.925 1.00 0.00 N ATOM 0 H ARG A 139 -7.437 7.929 11.663 1.00 0.00 H new ATOM 0 HA ARG A 139 -7.041 10.733 12.095 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -7.569 8.269 13.842 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -7.378 9.861 14.547 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -9.286 10.693 13.124 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.496 9.073 12.490 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.684 9.763 15.456 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -11.070 9.691 14.387 1.00 0.00 H new ATOM 0 HE ARG A 139 -9.849 7.225 14.020 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -11.020 8.933 16.903 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -11.395 7.423 17.741 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -10.371 5.357 15.130 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -11.037 5.454 16.763 1.00 0.00 H new ATOM 2106 N HIS A 140 -4.580 8.735 12.783 1.00 0.00 N ATOM 2107 CA HIS A 140 -3.184 8.538 13.196 1.00 0.00 C ATOM 2108 C HIS A 140 -2.333 7.889 12.081 1.00 0.00 C ATOM 2109 O HIS A 140 -2.873 7.349 11.111 1.00 0.00 O ATOM 2110 CB HIS A 140 -3.175 7.691 14.480 1.00 0.00 C ATOM 2111 CG HIS A 140 -3.665 6.278 14.274 1.00 0.00 C ATOM 2112 ND1 HIS A 140 -2.892 5.217 13.797 1.00 0.00 N ATOM 2113 CD2 HIS A 140 -4.940 5.838 14.486 1.00 0.00 C ATOM 2114 CE1 HIS A 140 -3.722 4.162 13.738 1.00 0.00 C ATOM 2115 NE2 HIS A 140 -4.958 4.505 14.146 1.00 0.00 N ATOM 0 H HIS A 140 -4.952 7.914 12.305 1.00 0.00 H new ATOM 0 HA HIS A 140 -2.727 9.508 13.391 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -2.161 7.661 14.878 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -3.798 8.177 15.231 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -5.772 6.422 14.850 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -3.436 3.174 13.408 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -5.767 3.885 14.195 1.00 0.00 H new ATOM 2123 N PHE A 141 -1.002 7.931 12.215 1.00 0.00 N ATOM 2124 CA PHE A 141 -0.075 7.339 11.247 1.00 0.00 C ATOM 2125 C PHE A 141 0.251 5.874 11.629 1.00 0.00 C ATOM 2126 O PHE A 141 0.752 5.650 12.736 1.00 0.00 O ATOM 2127 CB PHE A 141 1.175 8.225 11.145 1.00 0.00 C ATOM 2128 CG PHE A 141 1.951 7.999 9.865 1.00 0.00 C ATOM 2129 CD1 PHE A 141 1.482 8.560 8.662 1.00 0.00 C ATOM 2130 CD2 PHE A 141 3.131 7.234 9.866 1.00 0.00 C ATOM 2131 CE1 PHE A 141 2.177 8.345 7.462 1.00 0.00 C ATOM 2132 CE2 PHE A 141 3.833 7.027 8.666 1.00 0.00 C ATOM 2133 CZ PHE A 141 3.351 7.574 7.464 1.00 0.00 C ATOM 0 H PHE A 141 -0.536 8.380 13.004 1.00 0.00 H new ATOM 0 HA PHE A 141 -0.535 7.298 10.260 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.878 9.272 11.205 1.00 0.00 H new ATOM 0 HB3 PHE A 141 1.825 8.029 11.998 1.00 0.00 H new ATOM 0 HD1 PHE A 141 0.583 9.159 8.663 1.00 0.00 H new ATOM 0 HD2 PHE A 141 3.497 6.806 10.788 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.810 8.771 6.540 1.00 0.00 H new ATOM 0 HE2 PHE A 141 4.744 6.447 8.667 1.00 0.00 H new ATOM 0 HZ PHE A 141 3.884 7.401 6.541 1.00 0.00 H new ATOM 2143 N PRO A 142 -0.027 4.876 10.759 1.00 0.00 N ATOM 2144 CA PRO A 142 0.036 3.457 11.117 1.00 0.00 C ATOM 2145 C PRO A 142 1.421 2.809 10.937 1.00 0.00 C ATOM 2146 O PRO A 142 1.665 1.751 11.514 1.00 0.00 O ATOM 2147 CB PRO A 142 -0.989 2.787 10.195 1.00 0.00 C ATOM 2148 CG PRO A 142 -0.861 3.606 8.913 1.00 0.00 C ATOM 2149 CD PRO A 142 -0.647 5.023 9.448 1.00 0.00 C ATOM 0 HA PRO A 142 -0.171 3.335 12.180 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -0.759 1.734 10.029 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -1.997 2.832 10.607 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -0.024 3.273 8.300 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -1.756 3.536 8.295 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -0.008 5.599 8.778 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -1.594 5.557 9.523 1.00 0.00 H new ATOM 2157 N CYS A 143 2.325 3.411 10.152 1.00 0.00 N ATOM 2158 CA CYS A 143 3.650 2.855 9.852 1.00 0.00 C ATOM 2159 C CYS A 143 4.707 3.311 10.875 1.00 0.00 C ATOM 2160 O CYS A 143 4.737 4.480 11.274 1.00 0.00 O ATOM 2161 CB CYS A 143 4.037 3.249 8.418 1.00 0.00 C ATOM 2162 SG CYS A 143 2.980 2.365 7.234 1.00 0.00 S ATOM 0 H CYS A 143 2.153 4.310 9.702 1.00 0.00 H new ATOM 0 HA CYS A 143 3.609 1.768 9.927 1.00 0.00 H new ATOM 0 HB2 CYS A 143 3.928 4.325 8.284 1.00 0.00 H new ATOM 0 HB3 CYS A 143 5.084 3.009 8.235 1.00 0.00 H new ATOM 0 HG CYS A 143 3.159 2.854 6.043 1.00 0.00 H new ATOM 2168 N GLY A 144 5.598 2.397 11.280 1.00 0.00 N ATOM 2169 CA GLY A 144 6.657 2.668 12.268 1.00 0.00 C ATOM 2170 C GLY A 144 7.853 3.446 11.708 1.00 0.00 C ATOM 2171 O GLY A 144 8.572 4.088 12.474 1.00 0.00 O ATOM 0 H GLY A 144 5.606 1.439 10.930 1.00 0.00 H new ATOM 0 HA2 GLY A 144 6.229 3.230 13.098 1.00 0.00 H new ATOM 0 HA3 GLY A 144 7.012 1.720 12.673 1.00 0.00 H new ATOM 2175 N ASN A 145 8.052 3.425 10.387 1.00 0.00 N ATOM 2176 CA ASN A 145 9.034 4.256 9.681 1.00 0.00 C ATOM 2177 C ASN A 145 8.366 5.542 9.161 1.00 0.00 C ATOM 2178 O ASN A 145 7.266 5.475 8.613 1.00 0.00 O ATOM 2179 CB ASN A 145 9.641 3.465 8.511 1.00 0.00 C ATOM 2180 CG ASN A 145 10.320 2.176 8.963 1.00 0.00 C ATOM 2181 OD1 ASN A 145 11.374 2.193 9.589 1.00 0.00 O ATOM 2182 ND2 ASN A 145 9.736 1.029 8.665 1.00 0.00 N ATOM 0 H ASN A 145 7.523 2.816 9.763 1.00 0.00 H new ATOM 0 HA ASN A 145 9.829 4.532 10.374 1.00 0.00 H new ATOM 0 HB2 ASN A 145 8.856 3.225 7.794 1.00 0.00 H new ATOM 0 HB3 ASN A 145 10.367 4.091 7.992 1.00 0.00 H new ATOM 0 HD21 ASN A 145 10.162 0.149 8.956 1.00 0.00 H new ATOM 0 HD22 ASN A 145 8.859 1.023 8.144 1.00 0.00 H new ATOM 2189 N VAL A 146 9.038 6.691 9.287 1.00 0.00 N ATOM 2190 CA VAL A 146 8.605 8.001 8.770 1.00 0.00 C ATOM 2191 C VAL A 146 9.810 8.719 8.151 1.00 0.00 C ATOM 2192 O VAL A 146 10.909 8.710 8.704 1.00 0.00 O ATOM 2193 CB VAL A 146 7.948 8.869 9.875 1.00 0.00 C ATOM 2194 CG1 VAL A 146 7.764 10.336 9.451 1.00 0.00 C ATOM 2195 CG2 VAL A 146 6.557 8.340 10.246 1.00 0.00 C ATOM 0 H VAL A 146 9.935 6.740 9.771 1.00 0.00 H new ATOM 0 HA VAL A 146 7.845 7.840 8.006 1.00 0.00 H new ATOM 0 HB VAL A 146 8.632 8.813 10.722 1.00 0.00 H new ATOM 0 HG11 VAL A 146 7.300 10.894 10.264 1.00 0.00 H new ATOM 0 HG12 VAL A 146 8.736 10.772 9.219 1.00 0.00 H new ATOM 0 HG13 VAL A 146 7.126 10.382 8.569 1.00 0.00 H new ATOM 0 HG21 VAL A 146 6.123 8.970 11.023 1.00 0.00 H new ATOM 0 HG22 VAL A 146 5.915 8.356 9.365 1.00 0.00 H new ATOM 0 HG23 VAL A 146 6.643 7.318 10.614 1.00 0.00 H new ATOM 2205 N ASN A 147 9.571 9.342 6.999 1.00 0.00 N ATOM 2206 CA ASN A 147 10.524 10.080 6.175 1.00 0.00 C ATOM 2207 C ASN A 147 9.832 11.342 5.619 1.00 0.00 C ATOM 2208 O ASN A 147 8.627 11.333 5.354 1.00 0.00 O ATOM 2209 CB ASN A 147 11.013 9.122 5.075 1.00 0.00 C ATOM 2210 CG ASN A 147 12.206 9.615 4.260 1.00 0.00 C ATOM 2211 OD1 ASN A 147 12.823 10.633 4.547 1.00 0.00 O ATOM 2212 ND2 ASN A 147 12.579 8.869 3.234 1.00 0.00 N ATOM 0 H ASN A 147 8.638 9.344 6.588 1.00 0.00 H new ATOM 0 HA ASN A 147 11.391 10.423 6.740 1.00 0.00 H new ATOM 0 HB2 ASN A 147 11.278 8.171 5.537 1.00 0.00 H new ATOM 0 HB3 ASN A 147 10.185 8.926 4.394 1.00 0.00 H new ATOM 0 HD21 ASN A 147 13.387 9.140 2.674 1.00 0.00 H new ATOM 0 HD22 ASN A 147 12.059 8.023 3.003 1.00 0.00 H new ATOM 2219 N TYR A 148 10.572 12.444 5.490 1.00 0.00 N ATOM 2220 CA TYR A 148 10.026 13.778 5.198 1.00 0.00 C ATOM 2221 C TYR A 148 10.349 14.250 3.771 1.00 0.00 C ATOM 2222 O TYR A 148 11.448 14.022 3.258 1.00 0.00 O ATOM 2223 CB TYR A 148 10.532 14.766 6.258 1.00 0.00 C ATOM 2224 CG TYR A 148 10.099 14.394 7.666 1.00 0.00 C ATOM 2225 CD1 TYR A 148 8.783 14.668 8.086 1.00 0.00 C ATOM 2226 CD2 TYR A 148 10.987 13.727 8.534 1.00 0.00 C ATOM 2227 CE1 TYR A 148 8.349 14.270 9.365 1.00 0.00 C ATOM 2228 CE2 TYR A 148 10.560 13.330 9.817 1.00 0.00 C ATOM 2229 CZ TYR A 148 9.239 13.601 10.237 1.00 0.00 C ATOM 2230 OH TYR A 148 8.827 13.211 11.476 1.00 0.00 O ATOM 0 H TYR A 148 11.587 12.438 5.587 1.00 0.00 H new ATOM 0 HA TYR A 148 8.938 13.726 5.245 1.00 0.00 H new ATOM 0 HB2 TYR A 148 11.620 14.809 6.217 1.00 0.00 H new ATOM 0 HB3 TYR A 148 10.164 15.765 6.022 1.00 0.00 H new ATOM 0 HD1 TYR A 148 8.104 15.185 7.424 1.00 0.00 H new ATOM 0 HD2 TYR A 148 11.998 13.520 8.215 1.00 0.00 H new ATOM 0 HE1 TYR A 148 7.337 14.476 9.680 1.00 0.00 H new ATOM 0 HE2 TYR A 148 11.243 12.819 10.479 1.00 0.00 H new ATOM 0 HH TYR A 148 9.565 12.765 11.941 1.00 0.00 H new