USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=20 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 140:sc= 0.0664 USER MOD Set 1.2: A 147 ASN : amide:sc= 0.108 K(o=0.17,f=-2) USER MOD Single : A 19 THR OG1 : rot -26:sc= 0.0861 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.439 X(o=0.44,f=0.61) USER MOD Single : A 35 SER OG : rot 180:sc=0.000145 USER MOD Single : A 38 MET CE :methyl -105:sc=-0.00158 (180deg=-0.108) USER MOD Single : A 41 THR OG1 : rot -155:sc= 0.953 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.318 K(o=0.32,f=-3.4!) USER MOD Single : A 59 TYR OH : rot -179:sc= 0.219 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.195 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.137 X(o=0.14,f=-0.11) USER MOD Single : A 73 SER OG : rot 43:sc= 0.935 USER MOD Single : A 76 SER OG : rot 101:sc= 1.04 USER MOD Single : A 80 CYS SG : rot 83:sc= 0.253 USER MOD Single : A 81 GLN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 82 THR OG1 : rot 130:sc= 0.719 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot 120:sc= -0.0258 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 102 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 105 MET CE :methyl -173:sc= -0.0211 (180deg=-0.126) USER MOD Single : A 140 HIS : no HD1:sc= 1.05 K(o=1.1,f=-3.3!) USER MOD Single : A 143 CYS SG : rot -108:sc= 0.329 USER MOD Single : A 145 ASN : amide:sc= 0.799 K(o=0.8,f=0) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 233 N THR A 19 6.618 0.312 -12.588 1.00 0.00 N ATOM 234 CA THR A 19 6.096 1.646 -12.208 1.00 0.00 C ATOM 235 C THR A 19 4.687 1.617 -11.621 1.00 0.00 C ATOM 236 O THR A 19 4.314 2.541 -10.896 1.00 0.00 O ATOM 237 CB THR A 19 6.143 2.622 -13.390 1.00 0.00 C ATOM 238 OG1 THR A 19 5.384 2.103 -14.461 1.00 0.00 O ATOM 239 CG2 THR A 19 7.569 2.873 -13.886 1.00 0.00 C ATOM 0 HA THR A 19 6.761 1.994 -11.417 1.00 0.00 H new ATOM 0 HB THR A 19 5.733 3.569 -13.038 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.356 1.125 -14.399 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.546 3.571 -14.723 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.166 3.296 -13.078 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.012 1.932 -14.211 1.00 0.00 H new ATOM 247 N LYS A 20 3.929 0.547 -11.868 1.00 0.00 N ATOM 248 CA LYS A 20 2.646 0.246 -11.228 1.00 0.00 C ATOM 249 C LYS A 20 2.812 -0.767 -10.082 1.00 0.00 C ATOM 250 O LYS A 20 3.688 -1.634 -10.115 1.00 0.00 O ATOM 251 CB LYS A 20 1.651 -0.281 -12.277 1.00 0.00 C ATOM 252 CG LYS A 20 1.256 0.786 -13.307 1.00 0.00 C ATOM 253 CD LYS A 20 0.179 0.245 -14.257 1.00 0.00 C ATOM 254 CE LYS A 20 -0.244 1.346 -15.234 1.00 0.00 C ATOM 255 NZ LYS A 20 -1.355 0.909 -16.119 1.00 0.00 N ATOM 0 H LYS A 20 4.203 -0.163 -12.547 1.00 0.00 H new ATOM 0 HA LYS A 20 2.256 1.167 -10.795 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.092 -1.133 -12.794 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.755 -0.643 -11.773 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.885 1.674 -12.795 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.133 1.091 -13.878 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.563 -0.615 -14.806 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.683 -0.100 -13.687 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.553 2.229 -14.674 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.611 1.638 -15.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.610 1.684 -16.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.053 0.082 -16.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.181 0.655 -15.540 1.00 0.00 H new ATOM 269 N PHE A 21 1.940 -0.679 -9.078 1.00 0.00 N ATOM 270 CA PHE A 21 2.037 -1.401 -7.812 1.00 0.00 C ATOM 271 C PHE A 21 0.644 -1.813 -7.325 1.00 0.00 C ATOM 272 O PHE A 21 -0.196 -0.973 -7.009 1.00 0.00 O ATOM 273 CB PHE A 21 2.760 -0.500 -6.796 1.00 0.00 C ATOM 274 CG PHE A 21 4.263 -0.440 -6.994 1.00 0.00 C ATOM 275 CD1 PHE A 21 5.061 -1.412 -6.376 1.00 0.00 C ATOM 276 CD2 PHE A 21 4.871 0.552 -7.787 1.00 0.00 C ATOM 277 CE1 PHE A 21 6.444 -1.459 -6.596 1.00 0.00 C ATOM 278 CE2 PHE A 21 6.268 0.537 -7.974 1.00 0.00 C ATOM 279 CZ PHE A 21 7.054 -0.474 -7.388 1.00 0.00 C ATOM 0 H PHE A 21 1.116 -0.080 -9.127 1.00 0.00 H new ATOM 0 HA PHE A 21 2.610 -2.320 -7.938 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.353 0.509 -6.865 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.549 -0.861 -5.789 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.603 -2.137 -5.719 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.270 1.321 -8.250 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.037 -2.249 -6.159 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.738 1.305 -8.570 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.122 -0.491 -7.547 1.00 0.00 H new ATOM 289 N LYS A 22 0.399 -3.123 -7.248 1.00 0.00 N ATOM 290 CA LYS A 22 -0.841 -3.699 -6.708 1.00 0.00 C ATOM 291 C LYS A 22 -0.991 -3.359 -5.210 1.00 0.00 C ATOM 292 O LYS A 22 -0.084 -3.644 -4.423 1.00 0.00 O ATOM 293 CB LYS A 22 -0.817 -5.225 -6.931 1.00 0.00 C ATOM 294 CG LYS A 22 -0.837 -5.676 -8.402 1.00 0.00 C ATOM 295 CD LYS A 22 -2.212 -5.504 -9.060 1.00 0.00 C ATOM 296 CE LYS A 22 -2.182 -6.027 -10.503 1.00 0.00 C ATOM 297 NZ LYS A 22 -3.532 -5.983 -11.127 1.00 0.00 N ATOM 0 H LYS A 22 1.066 -3.827 -7.564 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.701 -3.273 -7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.076 -5.631 -6.456 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.676 -5.663 -6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.097 -5.104 -8.962 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.540 -6.723 -8.460 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.967 -6.042 -8.487 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.497 -4.452 -9.053 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.487 -5.429 -11.093 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.809 -7.051 -10.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.476 -6.343 -12.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.188 -6.573 -10.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.877 -5.002 -11.140 1.00 0.00 H new ATOM 311 N VAL A 23 -2.125 -2.764 -4.826 1.00 0.00 N ATOM 312 CA VAL A 23 -2.405 -2.247 -3.468 1.00 0.00 C ATOM 313 C VAL A 23 -3.865 -2.488 -3.064 1.00 0.00 C ATOM 314 O VAL A 23 -4.723 -2.668 -3.929 1.00 0.00 O ATOM 315 CB VAL A 23 -2.086 -0.734 -3.341 1.00 0.00 C ATOM 316 CG1 VAL A 23 -0.578 -0.443 -3.410 1.00 0.00 C ATOM 317 CG2 VAL A 23 -2.841 0.149 -4.351 1.00 0.00 C ATOM 0 H VAL A 23 -2.904 -2.621 -5.468 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.749 -2.799 -2.794 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.447 -0.465 -2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.410 0.630 -3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.070 -0.962 -2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.184 -0.790 -4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.565 1.193 -4.199 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.578 -0.152 -5.365 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.915 0.032 -4.205 1.00 0.00 H new ATOM 327 N THR A 24 -4.155 -2.436 -1.756 1.00 0.00 N ATOM 328 CA THR A 24 -5.516 -2.517 -1.197 1.00 0.00 C ATOM 329 C THR A 24 -5.644 -1.532 -0.050 1.00 0.00 C ATOM 330 O THR A 24 -4.899 -1.625 0.918 1.00 0.00 O ATOM 331 CB THR A 24 -5.827 -3.950 -0.740 1.00 0.00 C ATOM 332 OG1 THR A 24 -5.782 -4.798 -1.867 1.00 0.00 O ATOM 333 CG2 THR A 24 -7.227 -4.084 -0.142 1.00 0.00 C ATOM 0 H THR A 24 -3.436 -2.334 -1.040 1.00 0.00 H new ATOM 0 HA THR A 24 -6.243 -2.256 -1.966 1.00 0.00 H new ATOM 0 HB THR A 24 -5.092 -4.214 0.020 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.977 -5.718 -1.592 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.394 -5.117 0.164 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.317 -3.429 0.725 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.970 -3.802 -0.888 1.00 0.00 H new ATOM 341 N ASN A 25 -6.570 -0.580 -0.154 1.00 0.00 N ATOM 342 CA ASN A 25 -6.811 0.430 0.879 1.00 0.00 C ATOM 343 C ASN A 25 -7.394 -0.210 2.155 1.00 0.00 C ATOM 344 O ASN A 25 -8.244 -1.100 2.057 1.00 0.00 O ATOM 345 CB ASN A 25 -7.740 1.510 0.302 1.00 0.00 C ATOM 346 CG ASN A 25 -7.919 2.689 1.253 1.00 0.00 C ATOM 347 OD1 ASN A 25 -8.960 2.861 1.866 1.00 0.00 O ATOM 348 ND2 ASN A 25 -6.912 3.527 1.415 1.00 0.00 N ATOM 0 H ASN A 25 -7.181 -0.486 -0.965 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.868 0.893 1.171 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.334 1.868 -0.644 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.713 1.070 0.085 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.004 4.318 2.052 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.042 3.384 0.903 1.00 0.00 H new ATOM 355 N VAL A 26 -6.948 0.234 3.337 1.00 0.00 N ATOM 356 CA VAL A 26 -7.343 -0.361 4.631 1.00 0.00 C ATOM 357 C VAL A 26 -7.728 0.677 5.690 1.00 0.00 C ATOM 358 O VAL A 26 -7.289 1.827 5.646 1.00 0.00 O ATOM 359 CB VAL A 26 -6.273 -1.318 5.204 1.00 0.00 C ATOM 360 CG1 VAL A 26 -6.091 -2.562 4.324 1.00 0.00 C ATOM 361 CG2 VAL A 26 -4.901 -0.659 5.431 1.00 0.00 C ATOM 0 H VAL A 26 -6.301 1.018 3.429 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.235 -0.942 4.396 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.662 -1.608 6.180 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.330 -3.209 4.761 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.035 -3.103 4.260 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.778 -2.258 3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.206 -1.395 5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.518 -0.279 4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.006 0.165 6.136 1.00 0.00 H new ATOM 371 N ASP A 27 -8.548 0.240 6.650 1.00 0.00 N ATOM 372 CA ASP A 27 -8.959 1.006 7.831 1.00 0.00 C ATOM 373 C ASP A 27 -7.937 0.913 8.991 1.00 0.00 C ATOM 374 O ASP A 27 -6.858 0.333 8.856 1.00 0.00 O ATOM 375 CB ASP A 27 -10.355 0.523 8.272 1.00 0.00 C ATOM 376 CG ASP A 27 -10.283 -0.700 9.197 1.00 0.00 C ATOM 377 OD1 ASP A 27 -9.667 -1.716 8.807 1.00 0.00 O ATOM 378 OD2 ASP A 27 -10.774 -0.603 10.345 1.00 0.00 O ATOM 0 H ASP A 27 -8.960 -0.693 6.625 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.000 2.061 7.560 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.872 1.334 8.785 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.946 0.275 7.391 1.00 0.00 H new ATOM 383 N ASP A 28 -8.301 1.452 10.160 1.00 0.00 N ATOM 384 CA ASP A 28 -7.487 1.435 11.384 1.00 0.00 C ATOM 385 C ASP A 28 -7.199 0.018 11.931 1.00 0.00 C ATOM 386 O ASP A 28 -6.149 -0.199 12.539 1.00 0.00 O ATOM 387 CB ASP A 28 -8.202 2.296 12.438 1.00 0.00 C ATOM 388 CG ASP A 28 -7.389 2.454 13.732 1.00 0.00 C ATOM 389 OD1 ASP A 28 -6.285 3.044 13.675 1.00 0.00 O ATOM 390 OD2 ASP A 28 -7.876 2.029 14.805 1.00 0.00 O ATOM 0 H ASP A 28 -9.195 1.926 10.286 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.506 1.842 11.140 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.403 3.282 12.019 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.167 1.847 12.673 1.00 0.00 H new ATOM 395 N GLU A 29 -8.083 -0.955 11.675 1.00 0.00 N ATOM 396 CA GLU A 29 -7.906 -2.370 12.043 1.00 0.00 C ATOM 397 C GLU A 29 -7.239 -3.210 10.930 1.00 0.00 C ATOM 398 O GLU A 29 -7.014 -4.409 11.117 1.00 0.00 O ATOM 399 CB GLU A 29 -9.262 -2.979 12.451 1.00 0.00 C ATOM 400 CG GLU A 29 -9.826 -2.415 13.764 1.00 0.00 C ATOM 401 CD GLU A 29 -9.039 -2.913 14.988 1.00 0.00 C ATOM 402 OE1 GLU A 29 -9.247 -4.075 15.411 1.00 0.00 O ATOM 403 OE2 GLU A 29 -8.223 -2.147 15.552 1.00 0.00 O ATOM 0 H GLU A 29 -8.965 -0.778 11.194 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.222 -2.397 12.891 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.983 -2.805 11.652 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.150 -4.059 12.549 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.798 -1.326 13.733 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.872 -2.704 13.863 1.00 0.00 H new ATOM 410 N GLY A 30 -6.902 -2.611 9.778 1.00 0.00 N ATOM 411 CA GLY A 30 -6.202 -3.280 8.672 1.00 0.00 C ATOM 412 C GLY A 30 -7.097 -4.154 7.785 1.00 0.00 C ATOM 413 O GLY A 30 -6.579 -5.028 7.087 1.00 0.00 O ATOM 0 H GLY A 30 -7.112 -1.632 9.586 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.725 -2.522 8.050 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.406 -3.900 9.085 1.00 0.00 H new ATOM 417 N VAL A 31 -8.415 -3.942 7.809 1.00 0.00 N ATOM 418 CA VAL A 31 -9.413 -4.687 7.022 1.00 0.00 C ATOM 419 C VAL A 31 -9.392 -4.194 5.574 1.00 0.00 C ATOM 420 O VAL A 31 -9.447 -2.991 5.329 1.00 0.00 O ATOM 421 CB VAL A 31 -10.841 -4.533 7.607 1.00 0.00 C ATOM 422 CG1 VAL A 31 -11.867 -5.382 6.833 1.00 0.00 C ATOM 423 CG2 VAL A 31 -10.890 -4.947 9.089 1.00 0.00 C ATOM 0 H VAL A 31 -8.836 -3.222 8.396 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.151 -5.744 7.062 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.097 -3.478 7.512 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.856 -5.248 7.272 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.888 -5.066 5.790 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.585 -6.433 6.888 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.905 -4.827 9.467 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.588 -5.990 9.186 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.211 -4.318 9.665 1.00 0.00 H new ATOM 433 N GLU A 32 -9.320 -5.129 4.623 1.00 0.00 N ATOM 434 CA GLU A 32 -9.307 -4.857 3.181 1.00 0.00 C ATOM 435 C GLU A 32 -10.637 -4.237 2.719 1.00 0.00 C ATOM 436 O GLU A 32 -11.685 -4.889 2.774 1.00 0.00 O ATOM 437 CB GLU A 32 -9.028 -6.165 2.418 1.00 0.00 C ATOM 438 CG GLU A 32 -7.606 -6.695 2.656 1.00 0.00 C ATOM 439 CD GLU A 32 -7.392 -8.032 1.931 1.00 0.00 C ATOM 440 OE1 GLU A 32 -7.686 -9.096 2.524 1.00 0.00 O ATOM 441 OE2 GLU A 32 -6.923 -8.030 0.768 1.00 0.00 O ATOM 0 H GLU A 32 -9.268 -6.124 4.840 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.517 -4.136 2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.750 -6.922 2.725 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.176 -5.998 1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.878 -5.965 2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.436 -6.825 3.725 1.00 0.00 H new ATOM 448 N LEU A 33 -10.597 -2.981 2.257 1.00 0.00 N ATOM 449 CA LEU A 33 -11.784 -2.225 1.830 1.00 0.00 C ATOM 450 C LEU A 33 -11.989 -2.309 0.314 1.00 0.00 C ATOM 451 O LEU A 33 -13.047 -2.738 -0.149 1.00 0.00 O ATOM 452 CB LEU A 33 -11.663 -0.756 2.286 1.00 0.00 C ATOM 453 CG LEU A 33 -11.446 -0.553 3.798 1.00 0.00 C ATOM 454 CD1 LEU A 33 -11.328 0.946 4.080 1.00 0.00 C ATOM 455 CD2 LEU A 33 -12.575 -1.167 4.638 1.00 0.00 C ATOM 0 H LEU A 33 -9.729 -2.453 2.168 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.660 -2.672 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.833 -0.294 1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.568 -0.225 1.991 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.529 -1.067 4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.174 1.104 5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.482 1.355 3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.243 1.448 3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.375 -0.997 5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.523 -0.702 4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.629 -2.239 4.447 1.00 0.00 H new ATOM 467 N GLY A 34 -10.966 -1.917 -0.454 1.00 0.00 N ATOM 468 CA GLY A 34 -10.967 -1.950 -1.921 1.00 0.00 C ATOM 469 C GLY A 34 -9.569 -2.073 -2.519 1.00 0.00 C ATOM 470 O GLY A 34 -8.649 -1.361 -2.116 1.00 0.00 O ATOM 0 H GLY A 34 -10.094 -1.560 -0.064 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.575 -2.789 -2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.438 -1.042 -2.298 1.00 0.00 H new ATOM 474 N SER A 35 -9.413 -2.961 -3.495 1.00 0.00 N ATOM 475 CA SER A 35 -8.172 -3.151 -4.256 1.00 0.00 C ATOM 476 C SER A 35 -8.024 -2.124 -5.399 1.00 0.00 C ATOM 477 O SER A 35 -9.008 -1.621 -5.950 1.00 0.00 O ATOM 478 CB SER A 35 -8.092 -4.597 -4.770 1.00 0.00 C ATOM 479 OG SER A 35 -9.255 -4.991 -5.492 1.00 0.00 O ATOM 0 H SER A 35 -10.162 -3.587 -3.790 1.00 0.00 H new ATOM 0 HA SER A 35 -7.331 -2.975 -3.585 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.218 -4.701 -5.413 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.949 -5.271 -3.925 1.00 0.00 H new ATOM 0 HG SER A 35 -9.152 -5.916 -5.798 1.00 0.00 H new ATOM 485 N GLY A 36 -6.774 -1.797 -5.742 1.00 0.00 N ATOM 486 CA GLY A 36 -6.397 -0.786 -6.735 1.00 0.00 C ATOM 487 C GLY A 36 -4.944 -0.915 -7.189 1.00 0.00 C ATOM 488 O GLY A 36 -4.216 -1.812 -6.750 1.00 0.00 O ATOM 0 H GLY A 36 -5.964 -2.248 -5.318 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.053 -0.872 -7.602 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.554 0.207 -6.314 1.00 0.00 H new ATOM 492 N VAL A 37 -4.520 -0.007 -8.070 1.00 0.00 N ATOM 493 CA VAL A 37 -3.154 0.018 -8.617 1.00 0.00 C ATOM 494 C VAL A 37 -2.543 1.407 -8.427 1.00 0.00 C ATOM 495 O VAL A 37 -2.954 2.380 -9.054 1.00 0.00 O ATOM 496 CB VAL A 37 -3.118 -0.411 -10.102 1.00 0.00 C ATOM 497 CG1 VAL A 37 -1.665 -0.550 -10.578 1.00 0.00 C ATOM 498 CG2 VAL A 37 -3.843 -1.748 -10.337 1.00 0.00 C ATOM 0 H VAL A 37 -5.116 0.739 -8.429 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.556 -0.709 -8.067 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.633 0.365 -10.669 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.653 -0.853 -11.625 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.154 0.407 -10.471 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.156 -1.303 -9.977 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.792 -2.009 -11.394 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.365 -2.530 -9.747 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.887 -1.654 -10.037 1.00 0.00 H new ATOM 508 N MET A 38 -1.534 1.482 -7.562 1.00 0.00 N ATOM 509 CA MET A 38 -0.736 2.681 -7.304 1.00 0.00 C ATOM 510 C MET A 38 0.279 2.868 -8.441 1.00 0.00 C ATOM 511 O MET A 38 0.880 1.900 -8.901 1.00 0.00 O ATOM 512 CB MET A 38 -0.055 2.516 -5.933 1.00 0.00 C ATOM 513 CG MET A 38 0.497 3.826 -5.362 1.00 0.00 C ATOM 514 SD MET A 38 -0.750 5.014 -4.790 1.00 0.00 S ATOM 515 CE MET A 38 -1.320 4.198 -3.275 1.00 0.00 C ATOM 0 H MET A 38 -1.238 0.683 -7.002 1.00 0.00 H new ATOM 0 HA MET A 38 -1.357 3.576 -7.275 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.773 2.096 -5.228 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.760 1.798 -6.025 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.158 3.589 -4.528 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.108 4.306 -6.126 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.300 3.754 -3.448 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.613 3.418 -2.994 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.390 4.931 -2.471 1.00 0.00 H new ATOM 525 N GLU A 39 0.479 4.098 -8.903 1.00 0.00 N ATOM 526 CA GLU A 39 1.409 4.448 -9.982 1.00 0.00 C ATOM 527 C GLU A 39 2.183 5.722 -9.619 1.00 0.00 C ATOM 528 O GLU A 39 1.599 6.739 -9.245 1.00 0.00 O ATOM 529 CB GLU A 39 0.627 4.613 -11.297 1.00 0.00 C ATOM 530 CG GLU A 39 1.501 5.064 -12.479 1.00 0.00 C ATOM 531 CD GLU A 39 0.643 5.348 -13.718 1.00 0.00 C ATOM 532 OE1 GLU A 39 0.041 4.398 -14.266 1.00 0.00 O ATOM 533 OE2 GLU A 39 0.543 6.523 -14.138 1.00 0.00 O ATOM 0 H GLU A 39 -0.015 4.908 -8.528 1.00 0.00 H new ATOM 0 HA GLU A 39 2.138 3.649 -10.116 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.151 3.665 -11.549 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.171 5.341 -11.147 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.057 5.960 -12.204 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.235 4.292 -12.709 1.00 0.00 H new ATOM 540 N LEU A 40 3.510 5.675 -9.738 1.00 0.00 N ATOM 541 CA LEU A 40 4.405 6.778 -9.386 1.00 0.00 C ATOM 542 C LEU A 40 5.115 7.278 -10.655 1.00 0.00 C ATOM 543 O LEU A 40 5.840 6.510 -11.298 1.00 0.00 O ATOM 544 CB LEU A 40 5.404 6.294 -8.312 1.00 0.00 C ATOM 545 CG LEU A 40 4.890 6.286 -6.855 1.00 0.00 C ATOM 546 CD1 LEU A 40 3.880 5.175 -6.534 1.00 0.00 C ATOM 547 CD2 LEU A 40 6.073 6.132 -5.892 1.00 0.00 C ATOM 0 H LEU A 40 4.003 4.853 -10.088 1.00 0.00 H new ATOM 0 HA LEU A 40 3.845 7.614 -8.968 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.720 5.283 -8.569 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.290 6.927 -8.359 1.00 0.00 H new ATOM 0 HG LEU A 40 4.372 7.237 -6.732 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.577 5.250 -5.490 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.005 5.283 -7.175 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.341 4.203 -6.709 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.708 6.127 -4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.590 5.195 -6.098 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.763 6.965 -6.027 1.00 0.00 H new ATOM 559 N THR A 41 4.904 8.552 -11.021 1.00 0.00 N ATOM 560 CA THR A 41 5.497 9.202 -12.211 1.00 0.00 C ATOM 561 C THR A 41 6.572 10.203 -11.790 1.00 0.00 C ATOM 562 O THR A 41 6.745 10.468 -10.604 1.00 0.00 O ATOM 563 CB THR A 41 4.420 9.877 -13.083 1.00 0.00 C ATOM 564 OG1 THR A 41 4.040 11.110 -12.513 1.00 0.00 O ATOM 565 CG2 THR A 41 3.178 9.004 -13.290 1.00 0.00 C ATOM 0 H THR A 41 4.302 9.179 -10.487 1.00 0.00 H new ATOM 0 HA THR A 41 5.966 8.428 -12.819 1.00 0.00 H new ATOM 0 HB THR A 41 4.868 10.034 -14.064 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.130 11.336 -12.799 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.459 9.537 -13.912 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.465 8.074 -13.782 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.726 8.779 -12.324 1.00 0.00 H new ATOM 573 N GLN A 42 7.272 10.811 -12.750 1.00 0.00 N ATOM 574 CA GLN A 42 8.196 11.924 -12.477 1.00 0.00 C ATOM 575 C GLN A 42 7.469 13.258 -12.201 1.00 0.00 C ATOM 576 O GLN A 42 8.128 14.264 -11.935 1.00 0.00 O ATOM 577 CB GLN A 42 9.215 12.061 -13.626 1.00 0.00 C ATOM 578 CG GLN A 42 10.185 10.870 -13.700 1.00 0.00 C ATOM 579 CD GLN A 42 11.258 11.076 -14.772 1.00 0.00 C ATOM 580 OE1 GLN A 42 12.172 11.881 -14.632 1.00 0.00 O ATOM 581 NE2 GLN A 42 11.203 10.362 -15.879 1.00 0.00 N ATOM 0 H GLN A 42 7.218 10.551 -13.735 1.00 0.00 H new ATOM 0 HA GLN A 42 8.731 11.684 -11.558 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.681 12.149 -14.572 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.784 12.981 -13.494 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.662 10.729 -12.730 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.626 9.959 -13.915 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.450 9.687 -16.014 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.913 10.484 -16.601 1.00 0.00 H new ATOM 590 N SER A 43 6.132 13.293 -12.228 1.00 0.00 N ATOM 591 CA SER A 43 5.337 14.507 -11.981 1.00 0.00 C ATOM 592 C SER A 43 4.526 14.443 -10.675 1.00 0.00 C ATOM 593 O SER A 43 4.528 15.418 -9.918 1.00 0.00 O ATOM 594 CB SER A 43 4.413 14.780 -13.177 1.00 0.00 C ATOM 595 OG SER A 43 5.154 15.075 -14.358 1.00 0.00 O ATOM 0 H SER A 43 5.562 12.470 -12.424 1.00 0.00 H new ATOM 0 HA SER A 43 6.041 15.331 -11.864 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.779 13.911 -13.353 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.752 15.615 -12.944 1.00 0.00 H new ATOM 0 HG SER A 43 4.535 15.242 -15.099 1.00 0.00 H new ATOM 601 N GLU A 44 3.865 13.317 -10.368 1.00 0.00 N ATOM 602 CA GLU A 44 3.052 13.144 -9.163 1.00 0.00 C ATOM 603 C GLU A 44 2.806 11.665 -8.810 1.00 0.00 C ATOM 604 O GLU A 44 3.061 10.755 -9.606 1.00 0.00 O ATOM 605 CB GLU A 44 1.716 13.896 -9.318 1.00 0.00 C ATOM 606 CG GLU A 44 0.772 13.330 -10.385 1.00 0.00 C ATOM 607 CD GLU A 44 1.181 13.666 -11.827 1.00 0.00 C ATOM 608 OE1 GLU A 44 1.106 14.857 -12.210 1.00 0.00 O ATOM 609 OE2 GLU A 44 1.537 12.740 -12.592 1.00 0.00 O ATOM 0 H GLU A 44 3.883 12.489 -10.963 1.00 0.00 H new ATOM 0 HA GLU A 44 3.616 13.568 -8.332 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.200 13.890 -8.358 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.929 14.938 -9.559 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.725 12.247 -10.275 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.233 13.712 -10.205 1.00 0.00 H new ATOM 616 N LEU A 45 2.252 11.428 -7.617 1.00 0.00 N ATOM 617 CA LEU A 45 1.732 10.124 -7.220 1.00 0.00 C ATOM 618 C LEU A 45 0.323 9.973 -7.823 1.00 0.00 C ATOM 619 O LEU A 45 -0.476 10.905 -7.735 1.00 0.00 O ATOM 620 CB LEU A 45 1.708 10.033 -5.676 1.00 0.00 C ATOM 621 CG LEU A 45 2.115 8.661 -5.103 1.00 0.00 C ATOM 622 CD1 LEU A 45 1.823 8.600 -3.602 1.00 0.00 C ATOM 623 CD2 LEU A 45 1.424 7.491 -5.798 1.00 0.00 C ATOM 0 H LEU A 45 2.153 12.144 -6.897 1.00 0.00 H new ATOM 0 HA LEU A 45 2.363 9.314 -7.587 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.376 10.793 -5.271 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.704 10.273 -5.327 1.00 0.00 H new ATOM 0 HG LEU A 45 3.185 8.562 -5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.116 7.625 -3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.387 9.379 -3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.757 8.753 -3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.753 6.554 -5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.344 7.587 -5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.680 7.494 -6.857 1.00 0.00 H new ATOM 635 N VAL A 46 0.004 8.824 -8.418 1.00 0.00 N ATOM 636 CA VAL A 46 -1.284 8.510 -9.059 1.00 0.00 C ATOM 637 C VAL A 46 -1.835 7.206 -8.463 1.00 0.00 C ATOM 638 O VAL A 46 -1.074 6.309 -8.110 1.00 0.00 O ATOM 639 CB VAL A 46 -1.124 8.373 -10.598 1.00 0.00 C ATOM 640 CG1 VAL A 46 -2.483 8.196 -11.302 1.00 0.00 C ATOM 641 CG2 VAL A 46 -0.405 9.581 -11.225 1.00 0.00 C ATOM 0 H VAL A 46 0.663 8.047 -8.472 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.982 9.326 -8.870 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.515 7.481 -10.747 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.327 8.104 -12.377 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.972 7.297 -10.928 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.113 9.062 -11.100 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.319 9.435 -12.302 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.976 10.488 -11.026 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.590 9.677 -10.791 1.00 0.00 H new ATOM 651 N LEU A 47 -3.159 7.081 -8.363 1.00 0.00 N ATOM 652 CA LEU A 47 -3.838 5.871 -7.902 1.00 0.00 C ATOM 653 C LEU A 47 -5.023 5.571 -8.823 1.00 0.00 C ATOM 654 O LEU A 47 -5.971 6.354 -8.907 1.00 0.00 O ATOM 655 CB LEU A 47 -4.266 6.060 -6.432 1.00 0.00 C ATOM 656 CG LEU A 47 -4.426 4.772 -5.592 1.00 0.00 C ATOM 657 CD1 LEU A 47 -5.223 5.093 -4.325 1.00 0.00 C ATOM 658 CD2 LEU A 47 -5.086 3.595 -6.316 1.00 0.00 C ATOM 0 H LEU A 47 -3.802 7.835 -8.606 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.169 5.012 -7.943 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.531 6.699 -5.942 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.215 6.597 -6.419 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.411 4.444 -5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.339 4.188 -3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.692 5.846 -3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.206 5.474 -4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.151 2.742 -5.640 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.088 3.881 -6.637 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.490 3.323 -7.187 1.00 0.00 H new ATOM 670 N HIS A 48 -4.956 4.424 -9.495 1.00 0.00 N ATOM 671 CA HIS A 48 -6.010 3.847 -10.326 1.00 0.00 C ATOM 672 C HIS A 48 -6.901 2.889 -9.513 1.00 0.00 C ATOM 673 O HIS A 48 -6.399 1.991 -8.824 1.00 0.00 O ATOM 674 CB HIS A 48 -5.352 3.082 -11.481 1.00 0.00 C ATOM 675 CG HIS A 48 -4.435 3.908 -12.341 1.00 0.00 C ATOM 676 ND1 HIS A 48 -4.838 4.880 -13.258 1.00 0.00 N ATOM 677 CD2 HIS A 48 -3.078 3.776 -12.395 1.00 0.00 C ATOM 678 CE1 HIS A 48 -3.708 5.307 -13.848 1.00 0.00 C ATOM 679 NE2 HIS A 48 -2.639 4.658 -13.355 1.00 0.00 N ATOM 0 H HIS A 48 -4.120 3.841 -9.473 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.642 4.649 -10.706 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.787 2.246 -11.069 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.135 2.658 -12.111 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.469 3.110 -11.801 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.665 6.068 -14.614 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.670 4.796 -13.643 1.00 0.00 H new ATOM 687 N LEU A 49 -8.220 3.048 -9.631 1.00 0.00 N ATOM 688 CA LEU A 49 -9.241 2.234 -8.963 1.00 0.00 C ATOM 689 C LEU A 49 -10.185 1.625 -10.013 1.00 0.00 C ATOM 690 O LEU A 49 -10.479 2.245 -11.037 1.00 0.00 O ATOM 691 CB LEU A 49 -10.008 3.123 -7.963 1.00 0.00 C ATOM 692 CG LEU A 49 -9.205 3.693 -6.778 1.00 0.00 C ATOM 693 CD1 LEU A 49 -10.115 4.627 -5.964 1.00 0.00 C ATOM 694 CD2 LEU A 49 -8.646 2.592 -5.866 1.00 0.00 C ATOM 0 H LEU A 49 -8.625 3.777 -10.218 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.778 1.413 -8.416 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.439 3.959 -8.514 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.839 2.543 -7.562 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.352 4.239 -7.182 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.557 5.036 -5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -10.462 5.442 -6.600 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.973 4.066 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -8.089 3.046 -5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.469 2.002 -5.462 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.983 1.945 -6.441 1.00 0.00 H new ATOM 786 N ALA A 54 -9.145 8.181 -11.506 1.00 0.00 N ATOM 787 CA ALA A 54 -7.786 8.127 -10.965 1.00 0.00 C ATOM 788 C ALA A 54 -7.524 9.322 -10.027 1.00 0.00 C ATOM 789 O ALA A 54 -7.879 10.456 -10.360 1.00 0.00 O ATOM 790 CB ALA A 54 -6.796 8.088 -12.137 1.00 0.00 C ATOM 0 HA ALA A 54 -7.656 7.227 -10.364 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.777 8.048 -11.752 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.989 7.205 -12.747 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.918 8.983 -12.746 1.00 0.00 H new ATOM 796 N VAL A 55 -6.892 9.085 -8.873 1.00 0.00 N ATOM 797 CA VAL A 55 -6.616 10.124 -7.854 1.00 0.00 C ATOM 798 C VAL A 55 -5.130 10.485 -7.850 1.00 0.00 C ATOM 799 O VAL A 55 -4.279 9.620 -7.663 1.00 0.00 O ATOM 800 CB VAL A 55 -7.083 9.712 -6.435 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.782 10.813 -5.402 1.00 0.00 C ATOM 802 CG2 VAL A 55 -8.598 9.447 -6.421 1.00 0.00 C ATOM 0 H VAL A 55 -6.551 8.160 -8.610 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.198 11.003 -8.131 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.537 8.807 -6.171 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.122 10.491 -4.418 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.709 11.000 -5.372 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.302 11.729 -5.684 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.908 9.159 -5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.128 10.351 -6.719 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.833 8.642 -7.118 1.00 0.00 H new ATOM 812 N ARG A 56 -4.840 11.776 -8.046 1.00 0.00 N ATOM 813 CA ARG A 56 -3.495 12.357 -8.076 1.00 0.00 C ATOM 814 C ARG A 56 -3.163 13.109 -6.779 1.00 0.00 C ATOM 815 O ARG A 56 -3.985 13.888 -6.288 1.00 0.00 O ATOM 816 CB ARG A 56 -3.387 13.327 -9.265 1.00 0.00 C ATOM 817 CG ARG A 56 -3.448 12.612 -10.624 1.00 0.00 C ATOM 818 CD ARG A 56 -3.440 13.630 -11.768 1.00 0.00 C ATOM 819 NE ARG A 56 -3.306 12.963 -13.076 1.00 0.00 N ATOM 820 CZ ARG A 56 -3.629 13.469 -14.263 1.00 0.00 C ATOM 821 NH1 ARG A 56 -4.146 14.673 -14.397 1.00 0.00 N ATOM 822 NH2 ARG A 56 -3.431 12.758 -15.351 1.00 0.00 N ATOM 0 H ARG A 56 -5.569 12.474 -8.194 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.782 11.539 -8.180 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.194 14.057 -9.207 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.451 13.881 -9.193 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.598 11.937 -10.725 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.349 12.001 -10.680 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.361 14.212 -11.747 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.617 14.331 -11.629 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.927 12.016 -13.070 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.311 15.252 -13.573 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.381 15.027 -15.324 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.031 11.822 -15.283 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.677 13.142 -16.263 1.00 0.00 H new ATOM 836 N TRP A 57 -1.930 12.945 -6.292 1.00 0.00 N ATOM 837 CA TRP A 57 -1.326 13.723 -5.201 1.00 0.00 C ATOM 838 C TRP A 57 0.070 14.234 -5.622 1.00 0.00 C ATOM 839 O TRP A 57 0.972 13.409 -5.811 1.00 0.00 O ATOM 840 CB TRP A 57 -1.208 12.859 -3.936 1.00 0.00 C ATOM 841 CG TRP A 57 -2.495 12.402 -3.330 1.00 0.00 C ATOM 842 CD1 TRP A 57 -3.343 13.170 -2.611 1.00 0.00 C ATOM 843 CD2 TRP A 57 -3.090 11.068 -3.352 1.00 0.00 C ATOM 844 NE1 TRP A 57 -4.419 12.412 -2.196 1.00 0.00 N ATOM 845 CE2 TRP A 57 -4.303 11.101 -2.601 1.00 0.00 C ATOM 846 CE3 TRP A 57 -2.712 9.830 -3.915 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -5.096 9.960 -2.407 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -3.502 8.682 -3.727 1.00 0.00 C ATOM 849 CH2 TRP A 57 -4.692 8.744 -2.980 1.00 0.00 C ATOM 0 H TRP A 57 -1.296 12.236 -6.662 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.966 14.579 -4.986 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.610 11.980 -4.176 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -0.657 13.424 -3.185 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.200 14.218 -2.394 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -5.203 12.778 -1.656 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.805 9.764 -4.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -6.004 10.016 -1.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.192 7.743 -4.161 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.294 7.857 -2.847 1.00 0.00 H new ATOM 860 N PRO A 58 0.284 15.559 -5.771 1.00 0.00 N ATOM 861 CA PRO A 58 1.604 16.109 -6.065 1.00 0.00 C ATOM 862 C PRO A 58 2.543 15.887 -4.883 1.00 0.00 C ATOM 863 O PRO A 58 2.181 16.128 -3.732 1.00 0.00 O ATOM 864 CB PRO A 58 1.401 17.597 -6.359 1.00 0.00 C ATOM 865 CG PRO A 58 0.070 17.940 -5.696 1.00 0.00 C ATOM 866 CD PRO A 58 -0.707 16.625 -5.685 1.00 0.00 C ATOM 0 HA PRO A 58 2.065 15.617 -6.922 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.214 18.197 -5.950 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.371 17.789 -7.432 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.217 18.321 -4.686 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.463 18.710 -6.253 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.299 16.532 -4.775 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.402 16.578 -6.524 1.00 0.00 H new ATOM 874 N TYR A 59 3.764 15.440 -5.180 1.00 0.00 N ATOM 875 CA TYR A 59 4.766 15.076 -4.168 1.00 0.00 C ATOM 876 C TYR A 59 5.110 16.218 -3.203 1.00 0.00 C ATOM 877 O TYR A 59 5.338 15.986 -2.017 1.00 0.00 O ATOM 878 CB TYR A 59 6.033 14.591 -4.884 1.00 0.00 C ATOM 879 CG TYR A 59 5.856 13.324 -5.698 1.00 0.00 C ATOM 880 CD1 TYR A 59 5.263 12.190 -5.113 1.00 0.00 C ATOM 881 CD2 TYR A 59 6.298 13.271 -7.034 1.00 0.00 C ATOM 882 CE1 TYR A 59 5.117 11.008 -5.854 1.00 0.00 C ATOM 883 CE2 TYR A 59 6.168 12.081 -7.773 1.00 0.00 C ATOM 884 CZ TYR A 59 5.581 10.938 -7.180 1.00 0.00 C ATOM 885 OH TYR A 59 5.445 9.773 -7.868 1.00 0.00 O ATOM 0 H TYR A 59 4.092 15.318 -6.138 1.00 0.00 H new ATOM 0 HA TYR A 59 4.335 14.286 -3.553 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.387 15.384 -5.543 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.812 14.423 -4.141 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.919 12.230 -4.090 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.737 14.145 -7.492 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.646 10.147 -5.404 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.517 12.040 -8.794 1.00 0.00 H new ATOM 0 HH TYR A 59 5.826 9.876 -8.765 1.00 0.00 H new ATOM 895 N LEU A 60 5.079 17.461 -3.689 1.00 0.00 N ATOM 896 CA LEU A 60 5.337 18.663 -2.892 1.00 0.00 C ATOM 897 C LEU A 60 4.203 19.000 -1.902 1.00 0.00 C ATOM 898 O LEU A 60 4.449 19.711 -0.928 1.00 0.00 O ATOM 899 CB LEU A 60 5.748 19.799 -3.846 1.00 0.00 C ATOM 900 CG LEU A 60 4.615 20.345 -4.735 1.00 0.00 C ATOM 901 CD1 LEU A 60 4.001 21.564 -4.050 1.00 0.00 C ATOM 902 CD2 LEU A 60 5.147 20.744 -6.117 1.00 0.00 C ATOM 0 H LEU A 60 4.870 17.664 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 60 6.173 18.487 -2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.154 20.620 -3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.553 19.441 -4.488 1.00 0.00 H new ATOM 0 HG LEU A 60 3.863 19.568 -4.873 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.196 21.962 -4.668 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.602 21.273 -3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.766 22.328 -3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.328 21.126 -6.726 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.907 21.517 -6.005 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.585 19.873 -6.604 1.00 0.00 H new ATOM 914 N CYS A 61 2.997 18.443 -2.091 1.00 0.00 N ATOM 915 CA CYS A 61 1.896 18.514 -1.113 1.00 0.00 C ATOM 916 C CYS A 61 1.836 17.316 -0.140 1.00 0.00 C ATOM 917 O CYS A 61 0.999 17.323 0.766 1.00 0.00 O ATOM 918 CB CYS A 61 0.562 18.704 -1.850 1.00 0.00 C ATOM 919 SG CYS A 61 0.549 20.314 -2.696 1.00 0.00 S ATOM 0 H CYS A 61 2.754 17.925 -2.935 1.00 0.00 H new ATOM 0 HA CYS A 61 2.094 19.378 -0.479 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.418 17.902 -2.574 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.266 18.648 -1.143 1.00 0.00 H new ATOM 0 HG CYS A 61 -0.581 20.467 -3.319 1.00 0.00 H new ATOM 925 N LEU A 62 2.705 16.307 -0.274 1.00 0.00 N ATOM 926 CA LEU A 62 2.851 15.246 0.733 1.00 0.00 C ATOM 927 C LEU A 62 3.695 15.778 1.897 1.00 0.00 C ATOM 928 O LEU A 62 4.850 16.164 1.705 1.00 0.00 O ATOM 929 CB LEU A 62 3.480 13.979 0.118 1.00 0.00 C ATOM 930 CG LEU A 62 2.668 13.320 -1.015 1.00 0.00 C ATOM 931 CD1 LEU A 62 3.418 12.073 -1.506 1.00 0.00 C ATOM 932 CD2 LEU A 62 1.255 12.924 -0.560 1.00 0.00 C ATOM 0 H LEU A 62 3.324 16.202 -1.078 1.00 0.00 H new ATOM 0 HA LEU A 62 1.866 14.963 1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.467 14.234 -0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.627 13.245 0.911 1.00 0.00 H new ATOM 0 HG LEU A 62 2.560 14.047 -1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.851 11.600 -2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.401 12.363 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.535 11.370 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.721 12.464 -1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.324 12.214 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.717 13.812 -0.230 1.00 0.00 H new ATOM 944 N ARG A 63 3.124 15.803 3.107 1.00 0.00 N ATOM 945 CA ARG A 63 3.825 16.301 4.304 1.00 0.00 C ATOM 946 C ARG A 63 4.889 15.312 4.800 1.00 0.00 C ATOM 947 O ARG A 63 5.957 15.735 5.247 1.00 0.00 O ATOM 948 CB ARG A 63 2.824 16.601 5.435 1.00 0.00 C ATOM 949 CG ARG A 63 2.257 18.026 5.412 1.00 0.00 C ATOM 950 CD ARG A 63 1.330 18.339 4.232 1.00 0.00 C ATOM 951 NE ARG A 63 0.779 19.700 4.383 1.00 0.00 N ATOM 952 CZ ARG A 63 1.263 20.823 3.861 1.00 0.00 C ATOM 953 NH1 ARG A 63 2.272 20.831 3.014 1.00 0.00 N ATOM 954 NH2 ARG A 63 0.734 21.978 4.203 1.00 0.00 N ATOM 0 H ARG A 63 2.172 15.483 3.287 1.00 0.00 H new ATOM 0 HA ARG A 63 4.331 17.223 4.017 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.998 15.892 5.371 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.315 16.433 6.394 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.710 18.197 6.339 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.088 18.731 5.398 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.879 18.260 3.294 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.520 17.611 4.189 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.065 19.789 4.949 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.712 19.954 2.736 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.614 21.715 2.636 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.042 22.008 4.864 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.100 22.844 3.807 1.00 0.00 H new ATOM 968 N ARG A 64 4.590 14.008 4.724 1.00 0.00 N ATOM 969 CA ARG A 64 5.412 12.895 5.225 1.00 0.00 C ATOM 970 C ARG A 64 4.842 11.543 4.779 1.00 0.00 C ATOM 971 O ARG A 64 3.659 11.433 4.445 1.00 0.00 O ATOM 972 CB ARG A 64 5.584 12.972 6.758 1.00 0.00 C ATOM 973 CG ARG A 64 4.283 12.795 7.563 1.00 0.00 C ATOM 974 CD ARG A 64 4.459 13.211 9.032 1.00 0.00 C ATOM 975 NE ARG A 64 4.548 14.680 9.163 1.00 0.00 N ATOM 976 CZ ARG A 64 5.163 15.369 10.118 1.00 0.00 C ATOM 977 NH1 ARG A 64 5.787 14.785 11.120 1.00 0.00 N ATOM 978 NH2 ARG A 64 5.160 16.684 10.074 1.00 0.00 N ATOM 0 H ARG A 64 3.726 13.683 4.290 1.00 0.00 H new ATOM 0 HA ARG A 64 6.406 12.987 4.787 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.294 12.206 7.069 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.024 13.936 7.012 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.491 13.391 7.109 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.965 11.753 7.516 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.620 12.841 9.621 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.360 12.752 9.438 1.00 0.00 H new ATOM 0 HE ARG A 64 4.085 15.227 8.438 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.810 13.767 11.183 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.247 15.351 11.833 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.688 17.168 9.310 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.630 17.220 10.804 1.00 0.00 H new ATOM 992 N TYR A 65 5.688 10.518 4.771 1.00 0.00 N ATOM 993 CA TYR A 65 5.393 9.195 4.207 1.00 0.00 C ATOM 994 C TYR A 65 6.255 8.094 4.842 1.00 0.00 C ATOM 995 O TYR A 65 7.339 8.361 5.364 1.00 0.00 O ATOM 996 CB TYR A 65 5.556 9.241 2.679 1.00 0.00 C ATOM 997 CG TYR A 65 6.934 9.668 2.201 1.00 0.00 C ATOM 998 CD1 TYR A 65 7.948 8.708 2.024 1.00 0.00 C ATOM 999 CD2 TYR A 65 7.200 11.024 1.927 1.00 0.00 C ATOM 1000 CE1 TYR A 65 9.222 9.094 1.570 1.00 0.00 C ATOM 1001 CE2 TYR A 65 8.475 11.419 1.478 1.00 0.00 C ATOM 1002 CZ TYR A 65 9.490 10.453 1.296 1.00 0.00 C ATOM 1003 OH TYR A 65 10.722 10.823 0.849 1.00 0.00 O ATOM 0 H TYR A 65 6.626 10.581 5.167 1.00 0.00 H new ATOM 0 HA TYR A 65 4.359 8.940 4.441 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.335 8.254 2.274 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.815 9.927 2.268 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.747 7.669 2.238 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.424 11.763 2.062 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.994 8.352 1.431 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.677 12.460 1.273 1.00 0.00 H new ATOM 0 HH TYR A 65 10.626 11.505 0.152 1.00 0.00 H new ATOM 1013 N GLY A 66 5.754 6.859 4.819 1.00 0.00 N ATOM 1014 CA GLY A 66 6.306 5.718 5.548 1.00 0.00 C ATOM 1015 C GLY A 66 5.921 4.368 4.949 1.00 0.00 C ATOM 1016 O GLY A 66 5.055 4.263 4.078 1.00 0.00 O ATOM 0 H GLY A 66 4.926 6.618 4.275 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.393 5.801 5.568 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.964 5.758 6.582 1.00 0.00 H new ATOM 1020 N TYR A 67 6.550 3.321 5.471 1.00 0.00 N ATOM 1021 CA TYR A 67 6.272 1.931 5.109 1.00 0.00 C ATOM 1022 C TYR A 67 6.594 0.980 6.274 1.00 0.00 C ATOM 1023 O TYR A 67 7.640 1.076 6.921 1.00 0.00 O ATOM 1024 CB TYR A 67 7.001 1.546 3.811 1.00 0.00 C ATOM 1025 CG TYR A 67 8.446 1.110 3.980 1.00 0.00 C ATOM 1026 CD1 TYR A 67 9.422 2.028 4.415 1.00 0.00 C ATOM 1027 CD2 TYR A 67 8.804 -0.232 3.753 1.00 0.00 C ATOM 1028 CE1 TYR A 67 10.746 1.611 4.638 1.00 0.00 C ATOM 1029 CE2 TYR A 67 10.127 -0.660 3.978 1.00 0.00 C ATOM 1030 CZ TYR A 67 11.104 0.261 4.420 1.00 0.00 C ATOM 1031 OH TYR A 67 12.385 -0.151 4.633 1.00 0.00 O ATOM 0 H TYR A 67 7.284 3.414 6.173 1.00 0.00 H new ATOM 0 HA TYR A 67 5.204 1.832 4.912 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.449 0.738 3.330 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.973 2.398 3.132 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.151 3.061 4.579 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.062 -0.936 3.405 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.488 2.320 4.975 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.395 -1.693 3.813 1.00 0.00 H new ATOM 0 HH TYR A 67 12.458 -1.108 4.436 1.00 0.00 H new ATOM 1041 N ASP A 68 5.658 0.081 6.555 1.00 0.00 N ATOM 1042 CA ASP A 68 5.731 -0.927 7.619 1.00 0.00 C ATOM 1043 C ASP A 68 5.671 -2.353 7.035 1.00 0.00 C ATOM 1044 O ASP A 68 5.683 -2.537 5.815 1.00 0.00 O ATOM 1045 CB ASP A 68 4.614 -0.666 8.651 1.00 0.00 C ATOM 1046 CG ASP A 68 5.124 -0.846 10.084 1.00 0.00 C ATOM 1047 OD1 ASP A 68 5.403 -2.005 10.469 1.00 0.00 O ATOM 1048 OD2 ASP A 68 5.248 0.175 10.802 1.00 0.00 O ATOM 0 H ASP A 68 4.787 0.028 6.027 1.00 0.00 H new ATOM 0 HA ASP A 68 6.689 -0.846 8.132 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.229 0.346 8.525 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.783 -1.348 8.470 1.00 0.00 H new ATOM 1053 N SER A 69 5.602 -3.374 7.891 1.00 0.00 N ATOM 1054 CA SER A 69 5.455 -4.774 7.463 1.00 0.00 C ATOM 1055 C SER A 69 4.205 -4.954 6.581 1.00 0.00 C ATOM 1056 O SER A 69 3.071 -4.802 7.040 1.00 0.00 O ATOM 1057 CB SER A 69 5.382 -5.714 8.672 1.00 0.00 C ATOM 1058 OG SER A 69 6.537 -5.599 9.496 1.00 0.00 O ATOM 0 H SER A 69 5.646 -3.257 8.903 1.00 0.00 H new ATOM 0 HA SER A 69 6.336 -5.031 6.875 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.492 -5.485 9.258 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.281 -6.743 8.328 1.00 0.00 H new ATOM 0 HG SER A 69 6.457 -6.210 10.258 1.00 0.00 H new ATOM 1064 N ASN A 70 4.430 -5.234 5.292 1.00 0.00 N ATOM 1065 CA ASN A 70 3.429 -5.316 4.217 1.00 0.00 C ATOM 1066 C ASN A 70 2.408 -4.149 4.165 1.00 0.00 C ATOM 1067 O ASN A 70 1.235 -4.352 3.826 1.00 0.00 O ATOM 1068 CB ASN A 70 2.799 -6.721 4.159 1.00 0.00 C ATOM 1069 CG ASN A 70 2.029 -7.148 5.394 1.00 0.00 C ATOM 1070 OD1 ASN A 70 2.494 -7.944 6.204 1.00 0.00 O ATOM 1071 ND2 ASN A 70 0.816 -6.673 5.557 1.00 0.00 N ATOM 0 H ASN A 70 5.372 -5.421 4.949 1.00 0.00 H new ATOM 0 HA ASN A 70 3.975 -5.169 3.285 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.127 -6.763 3.302 1.00 0.00 H new ATOM 0 HB3 ASN A 70 3.591 -7.447 3.978 1.00 0.00 H new ATOM 0 HD21 ASN A 70 0.257 -6.965 6.359 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.432 -6.012 4.882 1.00 0.00 H new ATOM 1078 N LEU A 71 2.840 -2.926 4.490 1.00 0.00 N ATOM 1079 CA LEU A 71 1.988 -1.735 4.615 1.00 0.00 C ATOM 1080 C LEU A 71 2.707 -0.476 4.103 1.00 0.00 C ATOM 1081 O LEU A 71 3.869 -0.247 4.425 1.00 0.00 O ATOM 1082 CB LEU A 71 1.595 -1.584 6.100 1.00 0.00 C ATOM 1083 CG LEU A 71 0.488 -0.546 6.381 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -0.902 -1.104 6.037 1.00 0.00 C ATOM 1085 CD2 LEU A 71 0.517 -0.135 7.861 1.00 0.00 C ATOM 0 H LEU A 71 3.823 -2.730 4.680 1.00 0.00 H new ATOM 0 HA LEU A 71 1.095 -1.855 4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.266 -2.554 6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.483 -1.308 6.669 1.00 0.00 H new ATOM 0 HG LEU A 71 0.678 0.323 5.751 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.659 -0.349 6.246 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.936 -1.369 4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.098 -1.991 6.640 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.267 0.598 8.051 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.352 -1.013 8.486 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.487 0.302 8.098 1.00 0.00 H new ATOM 1097 N PHE A 72 2.005 0.366 3.347 1.00 0.00 N ATOM 1098 CA PHE A 72 2.486 1.638 2.800 1.00 0.00 C ATOM 1099 C PHE A 72 1.520 2.764 3.197 1.00 0.00 C ATOM 1100 O PHE A 72 0.309 2.616 3.043 1.00 0.00 O ATOM 1101 CB PHE A 72 2.584 1.493 1.273 1.00 0.00 C ATOM 1102 CG PHE A 72 2.923 2.778 0.543 1.00 0.00 C ATOM 1103 CD1 PHE A 72 4.195 3.362 0.691 1.00 0.00 C ATOM 1104 CD2 PHE A 72 1.957 3.397 -0.274 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.497 4.568 0.034 1.00 0.00 C ATOM 1106 CE2 PHE A 72 2.262 4.598 -0.938 1.00 0.00 C ATOM 1107 CZ PHE A 72 3.528 5.186 -0.778 1.00 0.00 C ATOM 0 H PHE A 72 1.038 0.172 3.085 1.00 0.00 H new ATOM 0 HA PHE A 72 3.469 1.890 3.198 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.342 0.746 1.039 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.635 1.114 0.894 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.940 2.883 1.310 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.981 2.949 -0.390 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.471 5.019 0.152 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.524 5.068 -1.571 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.758 6.114 -1.279 1.00 0.00 H new ATOM 1117 N SER A 73 2.029 3.888 3.709 1.00 0.00 N ATOM 1118 CA SER A 73 1.172 4.999 4.170 1.00 0.00 C ATOM 1119 C SER A 73 1.790 6.400 3.991 1.00 0.00 C ATOM 1120 O SER A 73 3.010 6.573 4.038 1.00 0.00 O ATOM 1121 CB SER A 73 0.761 4.739 5.633 1.00 0.00 C ATOM 1122 OG SER A 73 -0.132 5.716 6.142 1.00 0.00 O ATOM 0 H SER A 73 3.029 4.059 3.817 1.00 0.00 H new ATOM 0 HA SER A 73 0.291 5.014 3.528 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.294 3.757 5.704 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.655 4.713 6.256 1.00 0.00 H new ATOM 0 HG SER A 73 -0.810 5.924 5.465 1.00 0.00 H new ATOM 1128 N PHE A 74 0.937 7.415 3.784 1.00 0.00 N ATOM 1129 CA PHE A 74 1.336 8.816 3.565 1.00 0.00 C ATOM 1130 C PHE A 74 0.271 9.841 4.006 1.00 0.00 C ATOM 1131 O PHE A 74 -0.921 9.539 4.059 1.00 0.00 O ATOM 1132 CB PHE A 74 1.742 9.024 2.094 1.00 0.00 C ATOM 1133 CG PHE A 74 0.648 8.747 1.080 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -0.289 9.746 0.746 1.00 0.00 C ATOM 1135 CD2 PHE A 74 0.570 7.483 0.463 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -1.300 9.479 -0.195 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -0.440 7.219 -0.479 1.00 0.00 C ATOM 1138 CZ PHE A 74 -1.377 8.214 -0.801 1.00 0.00 C ATOM 0 H PHE A 74 -0.074 7.282 3.764 1.00 0.00 H new ATOM 0 HA PHE A 74 2.197 9.003 4.207 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.081 10.052 1.968 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.593 8.379 1.873 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.231 10.718 1.213 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.287 6.715 0.714 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.016 10.246 -0.451 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.495 6.251 -0.955 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.159 8.006 -1.516 1.00 0.00 H new ATOM 1148 N GLU A 75 0.725 11.064 4.306 1.00 0.00 N ATOM 1149 CA GLU A 75 -0.081 12.219 4.732 1.00 0.00 C ATOM 1150 C GLU A 75 -0.175 13.254 3.594 1.00 0.00 C ATOM 1151 O GLU A 75 0.839 13.810 3.163 1.00 0.00 O ATOM 1152 CB GLU A 75 0.592 12.831 5.979 1.00 0.00 C ATOM 1153 CG GLU A 75 0.029 14.168 6.489 1.00 0.00 C ATOM 1154 CD GLU A 75 -1.272 14.036 7.289 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -2.333 13.771 6.684 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -1.232 14.251 8.523 1.00 0.00 O ATOM 0 H GLU A 75 1.719 11.289 4.256 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.097 11.907 4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.528 12.105 6.789 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.650 12.971 5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.780 14.651 7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.146 14.825 5.637 1.00 0.00 H new ATOM 1163 N SER A 76 -1.389 13.547 3.124 1.00 0.00 N ATOM 1164 CA SER A 76 -1.658 14.570 2.099 1.00 0.00 C ATOM 1165 C SER A 76 -1.996 15.950 2.702 1.00 0.00 C ATOM 1166 O SER A 76 -2.541 16.057 3.804 1.00 0.00 O ATOM 1167 CB SER A 76 -2.780 14.091 1.160 1.00 0.00 C ATOM 1168 OG SER A 76 -4.009 13.887 1.839 1.00 0.00 O ATOM 0 H SER A 76 -2.232 13.073 3.448 1.00 0.00 H new ATOM 0 HA SER A 76 -0.740 14.704 1.527 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.924 14.826 0.368 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.475 13.161 0.680 1.00 0.00 H new ATOM 0 HG SER A 76 -4.598 14.655 1.687 1.00 0.00 H new ATOM 1174 N GLY A 77 -1.673 17.030 1.977 1.00 0.00 N ATOM 1175 CA GLY A 77 -1.938 18.417 2.387 1.00 0.00 C ATOM 1176 C GLY A 77 -3.362 18.889 2.078 1.00 0.00 C ATOM 1177 O GLY A 77 -4.027 18.378 1.178 1.00 0.00 O ATOM 0 H GLY A 77 -1.211 16.963 1.070 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.758 18.511 3.458 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.229 19.076 1.886 1.00 0.00 H new ATOM 1181 N ARG A 78 -3.821 19.926 2.792 1.00 0.00 N ATOM 1182 CA ARG A 78 -5.198 20.455 2.723 1.00 0.00 C ATOM 1183 C ARG A 78 -5.662 20.999 1.352 1.00 0.00 C ATOM 1184 O ARG A 78 -6.857 21.242 1.180 1.00 0.00 O ATOM 1185 CB ARG A 78 -5.447 21.474 3.860 1.00 0.00 C ATOM 1186 CG ARG A 78 -4.643 22.789 3.789 1.00 0.00 C ATOM 1187 CD ARG A 78 -3.281 22.756 4.502 1.00 0.00 C ATOM 1188 NE ARG A 78 -3.426 22.696 5.970 1.00 0.00 N ATOM 1189 CZ ARG A 78 -3.468 23.731 6.805 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -3.384 24.978 6.388 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -3.596 23.519 8.096 1.00 0.00 N ATOM 0 H ARG A 78 -3.233 20.436 3.451 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.831 19.579 2.864 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.508 21.722 3.870 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.224 20.988 4.810 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.482 23.043 2.741 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.244 23.589 4.222 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.713 21.892 4.158 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.708 23.643 4.230 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.502 21.768 6.386 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.283 25.177 5.393 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.420 25.744 7.060 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.662 22.566 8.452 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.629 24.308 8.742 1.00 0.00 H new ATOM 1205 N ARG A 79 -4.756 21.159 0.374 1.00 0.00 N ATOM 1206 CA ARG A 79 -5.042 21.649 -0.989 1.00 0.00 C ATOM 1207 C ARG A 79 -5.038 20.559 -2.081 1.00 0.00 C ATOM 1208 O ARG A 79 -5.186 20.882 -3.264 1.00 0.00 O ATOM 1209 CB ARG A 79 -4.066 22.791 -1.337 1.00 0.00 C ATOM 1210 CG ARG A 79 -4.195 24.027 -0.430 1.00 0.00 C ATOM 1211 CD ARG A 79 -5.559 24.724 -0.559 1.00 0.00 C ATOM 1212 NE ARG A 79 -5.612 25.978 0.216 1.00 0.00 N ATOM 1213 CZ ARG A 79 -5.211 27.182 -0.183 1.00 0.00 C ATOM 1214 NH1 ARG A 79 -4.648 27.383 -1.358 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -5.373 28.219 0.610 1.00 0.00 N ATOM 0 H ARG A 79 -3.769 20.944 0.513 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.068 22.017 -0.976 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -3.045 22.413 -1.275 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.232 23.094 -2.371 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.042 23.728 0.607 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -3.405 24.737 -0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.760 24.937 -1.609 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.344 24.051 -0.215 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.997 25.915 1.158 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.507 26.600 -1.997 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.354 28.321 -1.629 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.804 28.098 1.526 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.067 29.144 0.309 1.00 0.00 H new ATOM 1229 N CYS A 80 -4.899 19.276 -1.724 1.00 0.00 N ATOM 1230 CA CYS A 80 -5.059 18.152 -2.670 1.00 0.00 C ATOM 1231 C CYS A 80 -6.516 18.024 -3.167 1.00 0.00 C ATOM 1232 O CYS A 80 -7.431 18.605 -2.580 1.00 0.00 O ATOM 1233 CB CYS A 80 -4.582 16.839 -2.018 1.00 0.00 C ATOM 1234 SG CYS A 80 -2.873 17.000 -1.445 1.00 0.00 S ATOM 0 H CYS A 80 -4.673 18.983 -0.774 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.440 18.357 -3.543 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -5.231 16.586 -1.179 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -4.656 16.022 -2.736 1.00 0.00 H new ATOM 0 HG CYS A 80 -2.858 17.577 -0.280 1.00 0.00 H new ATOM 1240 N GLN A 81 -6.753 17.191 -4.187 1.00 0.00 N ATOM 1241 CA GLN A 81 -8.113 16.852 -4.644 1.00 0.00 C ATOM 1242 C GLN A 81 -8.941 16.155 -3.546 1.00 0.00 C ATOM 1243 O GLN A 81 -10.162 16.321 -3.495 1.00 0.00 O ATOM 1244 CB GLN A 81 -8.052 15.934 -5.877 1.00 0.00 C ATOM 1245 CG GLN A 81 -7.364 16.560 -7.103 1.00 0.00 C ATOM 1246 CD GLN A 81 -7.513 15.667 -8.336 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -8.115 16.031 -9.338 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -7.000 14.451 -8.303 1.00 0.00 N ATOM 0 H GLN A 81 -6.013 16.733 -4.719 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.601 17.793 -4.898 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -7.525 15.019 -5.608 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.067 15.648 -6.152 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -7.797 17.540 -7.306 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -6.307 16.717 -6.890 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -6.496 14.133 -7.476 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -7.108 13.830 -9.105 1.00 0.00 H new ATOM 1257 N THR A 82 -8.272 15.405 -2.656 1.00 0.00 N ATOM 1258 CA THR A 82 -8.862 14.723 -1.494 1.00 0.00 C ATOM 1259 C THR A 82 -8.847 15.573 -0.222 1.00 0.00 C ATOM 1260 O THR A 82 -9.603 15.278 0.705 1.00 0.00 O ATOM 1261 CB THR A 82 -8.125 13.405 -1.230 1.00 0.00 C ATOM 1262 OG1 THR A 82 -6.755 13.681 -1.023 1.00 0.00 O ATOM 1263 CG2 THR A 82 -8.248 12.425 -2.401 1.00 0.00 C ATOM 0 H THR A 82 -7.266 15.251 -2.729 1.00 0.00 H new ATOM 0 HA THR A 82 -9.906 14.536 -1.744 1.00 0.00 H new ATOM 0 HB THR A 82 -8.579 12.944 -0.353 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.453 13.239 -0.202 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.709 11.507 -2.165 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.299 12.195 -2.574 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.823 12.875 -3.298 1.00 0.00 H new ATOM 1271 N GLY A 83 -7.999 16.608 -0.156 1.00 0.00 N ATOM 1272 CA GLY A 83 -7.756 17.404 1.048 1.00 0.00 C ATOM 1273 C GLY A 83 -6.740 16.732 1.974 1.00 0.00 C ATOM 1274 O GLY A 83 -5.917 15.925 1.536 1.00 0.00 O ATOM 0 H GLY A 83 -7.452 16.920 -0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.392 18.392 0.764 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.694 17.551 1.583 1.00 0.00 H new ATOM 1278 N GLN A 84 -6.788 17.088 3.257 1.00 0.00 N ATOM 1279 CA GLN A 84 -5.878 16.580 4.283 1.00 0.00 C ATOM 1280 C GLN A 84 -6.351 15.217 4.811 1.00 0.00 C ATOM 1281 O GLN A 84 -7.519 15.059 5.179 1.00 0.00 O ATOM 1282 CB GLN A 84 -5.778 17.623 5.410 1.00 0.00 C ATOM 1283 CG GLN A 84 -4.731 17.276 6.479 1.00 0.00 C ATOM 1284 CD GLN A 84 -4.660 18.358 7.558 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -4.197 19.473 7.335 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -5.132 18.086 8.759 1.00 0.00 N ATOM 0 H GLN A 84 -7.474 17.750 3.619 1.00 0.00 H new ATOM 0 HA GLN A 84 -4.888 16.422 3.855 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.534 18.592 4.976 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.753 17.724 5.887 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.979 16.318 6.937 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.754 17.162 6.010 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -5.520 17.164 8.958 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.110 18.798 9.489 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.439 14.242 4.881 1.00 0.00 N ATOM 1296 CA GLY A 85 -5.704 12.919 5.448 1.00 0.00 C ATOM 1297 C GLY A 85 -4.536 11.942 5.324 1.00 0.00 C ATOM 1298 O GLY A 85 -3.745 12.000 4.378 1.00 0.00 O ATOM 0 H GLY A 85 -4.484 14.353 4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.959 13.032 6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.576 12.491 4.953 1.00 0.00 H new ATOM 1302 N ILE A 86 -4.473 10.991 6.260 1.00 0.00 N ATOM 1303 CA ILE A 86 -3.561 9.846 6.184 1.00 0.00 C ATOM 1304 C ILE A 86 -4.259 8.720 5.414 1.00 0.00 C ATOM 1305 O ILE A 86 -5.317 8.248 5.836 1.00 0.00 O ATOM 1306 CB ILE A 86 -3.097 9.377 7.584 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -2.272 10.426 8.367 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -2.240 8.106 7.433 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -3.119 11.402 9.190 1.00 0.00 C ATOM 0 H ILE A 86 -5.057 10.994 7.097 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.656 10.145 5.656 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.007 9.197 8.156 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.584 9.907 9.034 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.665 10.994 7.662 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.910 7.771 8.416 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.832 7.322 6.962 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.370 8.325 6.814 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.465 12.104 9.708 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.788 11.951 8.528 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.707 10.847 9.921 1.00 0.00 H new ATOM 1321 N PHE A 87 -3.647 8.265 4.322 1.00 0.00 N ATOM 1322 CA PHE A 87 -4.078 7.094 3.558 1.00 0.00 C ATOM 1323 C PHE A 87 -3.118 5.924 3.803 1.00 0.00 C ATOM 1324 O PHE A 87 -1.912 6.128 3.976 1.00 0.00 O ATOM 1325 CB PHE A 87 -4.158 7.454 2.067 1.00 0.00 C ATOM 1326 CG PHE A 87 -5.196 8.511 1.741 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -6.563 8.170 1.730 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -4.803 9.832 1.451 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -7.530 9.143 1.422 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -5.771 10.804 1.145 1.00 0.00 C ATOM 1331 CZ PHE A 87 -7.134 10.459 1.130 1.00 0.00 C ATOM 0 H PHE A 87 -2.816 8.712 3.934 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.070 6.784 3.888 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.181 7.805 1.736 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.382 6.552 1.498 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.869 7.160 1.959 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.756 10.098 1.464 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.577 8.879 1.410 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.468 11.816 0.921 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.877 11.206 0.894 1.00 0.00 H new ATOM 1341 N ALA A 88 -3.641 4.694 3.815 1.00 0.00 N ATOM 1342 CA ALA A 88 -2.865 3.487 4.095 1.00 0.00 C ATOM 1343 C ALA A 88 -3.347 2.279 3.281 1.00 0.00 C ATOM 1344 O ALA A 88 -4.551 2.015 3.153 1.00 0.00 O ATOM 1345 CB ALA A 88 -2.887 3.212 5.603 1.00 0.00 C ATOM 0 H ALA A 88 -4.627 4.509 3.628 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.835 3.656 3.781 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.310 2.313 5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.451 4.058 6.134 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.916 3.069 5.932 1.00 0.00 H new ATOM 1351 N PHE A 89 -2.369 1.552 2.741 1.00 0.00 N ATOM 1352 CA PHE A 89 -2.559 0.460 1.792 1.00 0.00 C ATOM 1353 C PHE A 89 -1.722 -0.766 2.166 1.00 0.00 C ATOM 1354 O PHE A 89 -0.561 -0.649 2.553 1.00 0.00 O ATOM 1355 CB PHE A 89 -2.224 0.923 0.366 1.00 0.00 C ATOM 1356 CG PHE A 89 -2.917 2.197 -0.079 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.374 3.455 0.252 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -4.125 2.126 -0.795 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -3.053 4.632 -0.106 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -4.801 3.304 -1.155 1.00 0.00 C ATOM 1361 CZ PHE A 89 -4.266 4.559 -0.813 1.00 0.00 C ATOM 0 H PHE A 89 -1.387 1.715 2.962 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.608 0.168 1.831 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.146 1.070 0.293 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.485 0.125 -0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.435 3.514 0.782 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.534 1.165 -1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.642 5.594 0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.734 3.246 -1.696 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.785 5.464 -1.093 1.00 0.00 H new ATOM 1371 N LYS A 90 -2.312 -1.952 2.028 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.720 -3.241 2.377 1.00 0.00 C ATOM 1373 C LYS A 90 -1.139 -3.904 1.117 1.00 0.00 C ATOM 1374 O LYS A 90 -1.856 -4.102 0.131 1.00 0.00 O ATOM 1375 CB LYS A 90 -2.820 -4.081 3.050 1.00 0.00 C ATOM 1376 CG LYS A 90 -2.274 -5.190 3.959 1.00 0.00 C ATOM 1377 CD LYS A 90 -3.445 -5.922 4.633 1.00 0.00 C ATOM 1378 CE LYS A 90 -2.953 -6.816 5.777 1.00 0.00 C ATOM 1379 NZ LYS A 90 -4.089 -7.464 6.486 1.00 0.00 N ATOM 0 H LYS A 90 -3.256 -2.044 1.654 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.888 -3.135 3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.460 -3.423 3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.446 -4.530 2.279 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.679 -5.893 3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.614 -4.764 4.715 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.159 -5.194 5.018 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.972 -6.527 3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.285 -7.581 5.381 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.374 -6.221 6.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.723 -8.062 7.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.713 -6.733 6.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.627 -8.051 5.817 1.00 0.00 H new ATOM 1393 N CYS A 91 0.159 -4.219 1.143 1.00 0.00 N ATOM 1394 CA CYS A 91 0.942 -4.712 0.002 1.00 0.00 C ATOM 1395 C CYS A 91 2.352 -5.153 0.444 1.00 0.00 C ATOM 1396 O CYS A 91 3.070 -4.389 1.086 1.00 0.00 O ATOM 1397 CB CYS A 91 1.002 -3.623 -1.096 1.00 0.00 C ATOM 1398 SG CYS A 91 1.614 -2.038 -0.438 1.00 0.00 S ATOM 0 H CYS A 91 0.717 -4.135 1.993 1.00 0.00 H new ATOM 0 HA CYS A 91 0.451 -5.593 -0.412 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.652 -3.957 -1.905 1.00 0.00 H new ATOM 0 HB3 CYS A 91 0.009 -3.481 -1.523 1.00 0.00 H new ATOM 0 HG CYS A 91 2.700 -1.697 -1.067 1.00 0.00 H new ATOM 1404 N SER A 92 2.792 -6.358 0.075 1.00 0.00 N ATOM 1405 CA SER A 92 4.140 -6.863 0.421 1.00 0.00 C ATOM 1406 C SER A 92 5.273 -6.027 -0.217 1.00 0.00 C ATOM 1407 O SER A 92 6.333 -5.821 0.379 1.00 0.00 O ATOM 1408 CB SER A 92 4.244 -8.340 0.009 1.00 0.00 C ATOM 1409 OG SER A 92 5.418 -8.949 0.527 1.00 0.00 O ATOM 0 H SER A 92 2.234 -7.015 -0.470 1.00 0.00 H new ATOM 0 HA SER A 92 4.270 -6.770 1.499 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.367 -8.880 0.365 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.245 -8.415 -1.078 1.00 0.00 H new ATOM 0 HG SER A 92 5.451 -9.888 0.247 1.00 0.00 H new ATOM 1415 N ARG A 93 5.003 -5.452 -1.398 1.00 0.00 N ATOM 1416 CA ARG A 93 5.894 -4.569 -2.170 1.00 0.00 C ATOM 1417 C ARG A 93 5.974 -3.116 -1.656 1.00 0.00 C ATOM 1418 O ARG A 93 6.570 -2.271 -2.325 1.00 0.00 O ATOM 1419 CB ARG A 93 5.527 -4.660 -3.667 1.00 0.00 C ATOM 1420 CG ARG A 93 4.068 -4.260 -3.972 1.00 0.00 C ATOM 1421 CD ARG A 93 3.641 -4.569 -5.419 1.00 0.00 C ATOM 1422 NE ARG A 93 3.609 -6.006 -5.720 1.00 0.00 N ATOM 1423 CZ ARG A 93 2.712 -6.901 -5.320 1.00 0.00 C ATOM 1424 NH1 ARG A 93 1.697 -6.591 -4.539 1.00 0.00 N ATOM 1425 NH2 ARG A 93 2.834 -8.143 -5.723 1.00 0.00 N ATOM 0 H ARG A 93 4.109 -5.597 -1.867 1.00 0.00 H new ATOM 0 HA ARG A 93 6.911 -4.933 -2.025 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.198 -4.017 -4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.695 -5.680 -4.012 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.404 -4.784 -3.285 1.00 0.00 H new ATOM 0 HG3 ARG A 93 3.944 -3.194 -3.784 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.653 -4.145 -5.597 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.328 -4.076 -6.107 1.00 0.00 H new ATOM 0 HE ARG A 93 4.366 -6.359 -6.306 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.576 -5.631 -4.217 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.032 -7.311 -4.257 1.00 0.00 H new ATOM 0 HH21 ARG A 93 3.608 -8.408 -6.333 1.00 0.00 H new ATOM 0 HH22 ARG A 93 2.155 -8.844 -5.427 1.00 0.00 H new ATOM 1439 N ALA A 94 5.426 -2.802 -0.474 1.00 0.00 N ATOM 1440 CA ALA A 94 5.452 -1.464 0.144 1.00 0.00 C ATOM 1441 C ALA A 94 6.849 -0.811 0.189 1.00 0.00 C ATOM 1442 O ALA A 94 6.970 0.394 -0.032 1.00 0.00 O ATOM 1443 CB ALA A 94 4.891 -1.594 1.566 1.00 0.00 C ATOM 0 H ALA A 94 4.937 -3.491 0.098 1.00 0.00 H new ATOM 0 HA ALA A 94 4.847 -0.804 -0.478 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.897 -0.618 2.050 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.869 -1.970 1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.508 -2.287 2.138 1.00 0.00 H new ATOM 1449 N GLU A 95 7.898 -1.610 0.414 1.00 0.00 N ATOM 1450 CA GLU A 95 9.299 -1.169 0.402 1.00 0.00 C ATOM 1451 C GLU A 95 9.708 -0.570 -0.952 1.00 0.00 C ATOM 1452 O GLU A 95 10.373 0.464 -0.997 1.00 0.00 O ATOM 1453 CB GLU A 95 10.190 -2.372 0.761 1.00 0.00 C ATOM 1454 CG GLU A 95 11.678 -2.022 0.881 1.00 0.00 C ATOM 1455 CD GLU A 95 12.501 -3.259 1.275 1.00 0.00 C ATOM 1456 OE1 GLU A 95 12.564 -3.596 2.481 1.00 0.00 O ATOM 1457 OE2 GLU A 95 13.095 -3.904 0.379 1.00 0.00 O ATOM 0 H GLU A 95 7.795 -2.605 0.614 1.00 0.00 H new ATOM 0 HA GLU A 95 9.424 -0.374 1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.848 -2.797 1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.067 -3.144 0.001 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.040 -1.626 -0.068 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.813 -1.238 1.626 1.00 0.00 H new ATOM 1464 N GLU A 96 9.290 -1.182 -2.062 1.00 0.00 N ATOM 1465 CA GLU A 96 9.634 -0.719 -3.408 1.00 0.00 C ATOM 1466 C GLU A 96 8.889 0.577 -3.763 1.00 0.00 C ATOM 1467 O GLU A 96 9.464 1.454 -4.410 1.00 0.00 O ATOM 1468 CB GLU A 96 9.318 -1.818 -4.434 1.00 0.00 C ATOM 1469 CG GLU A 96 10.267 -3.014 -4.318 1.00 0.00 C ATOM 1470 CD GLU A 96 10.008 -4.038 -5.433 1.00 0.00 C ATOM 1471 OE1 GLU A 96 9.133 -4.917 -5.260 1.00 0.00 O ATOM 1472 OE2 GLU A 96 10.692 -3.976 -6.483 1.00 0.00 O ATOM 0 H GLU A 96 8.702 -2.015 -2.053 1.00 0.00 H new ATOM 0 HA GLU A 96 10.702 -0.502 -3.431 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.292 -2.157 -4.295 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.383 -1.402 -5.440 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.300 -2.669 -4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.139 -3.490 -3.346 1.00 0.00 H new ATOM 1479 N ILE A 97 7.646 0.740 -3.287 1.00 0.00 N ATOM 1480 CA ILE A 97 6.882 1.992 -3.435 1.00 0.00 C ATOM 1481 C ILE A 97 7.589 3.128 -2.679 1.00 0.00 C ATOM 1482 O ILE A 97 7.808 4.199 -3.244 1.00 0.00 O ATOM 1483 CB ILE A 97 5.415 1.847 -2.948 1.00 0.00 C ATOM 1484 CG1 ILE A 97 4.702 0.610 -3.541 1.00 0.00 C ATOM 1485 CG2 ILE A 97 4.632 3.119 -3.328 1.00 0.00 C ATOM 1486 CD1 ILE A 97 3.291 0.360 -2.990 1.00 0.00 C ATOM 0 H ILE A 97 7.140 0.008 -2.788 1.00 0.00 H new ATOM 0 HA ILE A 97 6.843 2.231 -4.498 1.00 0.00 H new ATOM 0 HB ILE A 97 5.443 1.711 -1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.640 0.727 -4.623 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.314 -0.272 -3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.600 3.026 -2.990 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.093 3.985 -2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.649 3.247 -4.410 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.868 -0.527 -3.462 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.343 0.208 -1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.659 1.222 -3.204 1.00 0.00 H new ATOM 1498 N PHE A 98 7.989 2.887 -1.425 1.00 0.00 N ATOM 1499 CA PHE A 98 8.654 3.870 -0.572 1.00 0.00 C ATOM 1500 C PHE A 98 10.023 4.313 -1.113 1.00 0.00 C ATOM 1501 O PHE A 98 10.333 5.506 -1.089 1.00 0.00 O ATOM 1502 CB PHE A 98 8.763 3.256 0.826 1.00 0.00 C ATOM 1503 CG PHE A 98 9.529 4.088 1.832 1.00 0.00 C ATOM 1504 CD1 PHE A 98 8.873 5.083 2.580 1.00 0.00 C ATOM 1505 CD2 PHE A 98 10.898 3.836 2.046 1.00 0.00 C ATOM 1506 CE1 PHE A 98 9.584 5.820 3.546 1.00 0.00 C ATOM 1507 CE2 PHE A 98 11.604 4.565 3.018 1.00 0.00 C ATOM 1508 CZ PHE A 98 10.948 5.556 3.767 1.00 0.00 C ATOM 0 H PHE A 98 7.855 1.984 -0.969 1.00 0.00 H new ATOM 0 HA PHE A 98 8.063 4.786 -0.546 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.758 3.084 1.210 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.244 2.281 0.742 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.825 5.281 2.413 1.00 0.00 H new ATOM 0 HD2 PHE A 98 11.406 3.082 1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.083 6.587 4.117 1.00 0.00 H new ATOM 0 HE2 PHE A 98 12.651 4.363 3.189 1.00 0.00 H new ATOM 0 HZ PHE A 98 11.492 6.116 4.514 1.00 0.00 H new ATOM 1518 N ASN A 99 10.830 3.384 -1.643 1.00 0.00 N ATOM 1519 CA ASN A 99 12.098 3.716 -2.303 1.00 0.00 C ATOM 1520 C ASN A 99 11.874 4.555 -3.571 1.00 0.00 C ATOM 1521 O ASN A 99 12.515 5.593 -3.740 1.00 0.00 O ATOM 1522 CB ASN A 99 12.874 2.434 -2.643 1.00 0.00 C ATOM 1523 CG ASN A 99 13.666 1.903 -1.455 1.00 0.00 C ATOM 1524 OD1 ASN A 99 14.791 2.317 -1.199 1.00 0.00 O ATOM 1525 ND2 ASN A 99 13.116 0.968 -0.707 1.00 0.00 N ATOM 0 H ASN A 99 10.623 2.385 -1.626 1.00 0.00 H new ATOM 0 HA ASN A 99 12.686 4.315 -1.608 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.176 1.669 -2.982 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.555 2.633 -3.470 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.627 0.586 0.089 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.180 0.627 -0.924 1.00 0.00 H new ATOM 1532 N LEU A 100 10.930 4.157 -4.434 1.00 0.00 N ATOM 1533 CA LEU A 100 10.608 4.892 -5.658 1.00 0.00 C ATOM 1534 C LEU A 100 10.085 6.305 -5.349 1.00 0.00 C ATOM 1535 O LEU A 100 10.498 7.262 -6.000 1.00 0.00 O ATOM 1536 CB LEU A 100 9.623 4.040 -6.481 1.00 0.00 C ATOM 1537 CG LEU A 100 9.176 4.671 -7.811 1.00 0.00 C ATOM 1538 CD1 LEU A 100 10.355 4.971 -8.753 1.00 0.00 C ATOM 1539 CD2 LEU A 100 8.194 3.730 -8.521 1.00 0.00 C ATOM 0 H LEU A 100 10.369 3.315 -4.300 1.00 0.00 H new ATOM 0 HA LEU A 100 11.507 5.054 -6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.086 3.076 -6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.739 3.844 -5.874 1.00 0.00 H new ATOM 0 HG LEU A 100 8.698 5.621 -7.570 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.980 5.415 -9.675 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.040 5.666 -8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.881 4.045 -8.984 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.878 4.178 -9.463 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.683 2.776 -8.719 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.323 3.567 -7.886 1.00 0.00 H new ATOM 1551 N LEU A 101 9.255 6.458 -4.315 1.00 0.00 N ATOM 1552 CA LEU A 101 8.733 7.750 -3.859 1.00 0.00 C ATOM 1553 C LEU A 101 9.841 8.742 -3.479 1.00 0.00 C ATOM 1554 O LEU A 101 9.823 9.878 -3.955 1.00 0.00 O ATOM 1555 CB LEU A 101 7.764 7.486 -2.690 1.00 0.00 C ATOM 1556 CG LEU A 101 7.048 8.733 -2.141 1.00 0.00 C ATOM 1557 CD1 LEU A 101 6.191 9.413 -3.215 1.00 0.00 C ATOM 1558 CD2 LEU A 101 6.152 8.315 -0.971 1.00 0.00 C ATOM 0 H LEU A 101 8.919 5.671 -3.759 1.00 0.00 H new ATOM 0 HA LEU A 101 8.202 8.230 -4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.011 6.769 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.319 7.017 -1.877 1.00 0.00 H new ATOM 0 HG LEU A 101 7.805 9.446 -1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.702 10.289 -2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.826 9.720 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.436 8.714 -3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.640 9.191 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.416 7.590 -1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.762 7.866 -0.188 1.00 0.00 H new ATOM 1570 N GLN A 102 10.820 8.325 -2.669 1.00 0.00 N ATOM 1571 CA GLN A 102 11.936 9.200 -2.300 1.00 0.00 C ATOM 1572 C GLN A 102 12.913 9.437 -3.464 1.00 0.00 C ATOM 1573 O GLN A 102 13.470 10.529 -3.578 1.00 0.00 O ATOM 1574 CB GLN A 102 12.643 8.686 -1.038 1.00 0.00 C ATOM 1575 CG GLN A 102 13.336 7.325 -1.163 1.00 0.00 C ATOM 1576 CD GLN A 102 14.086 6.965 0.116 1.00 0.00 C ATOM 1577 OE1 GLN A 102 15.257 7.277 0.297 1.00 0.00 O ATOM 1578 NE2 GLN A 102 13.443 6.313 1.062 1.00 0.00 N ATOM 0 H GLN A 102 10.862 7.392 -2.259 1.00 0.00 H new ATOM 0 HA GLN A 102 11.516 10.178 -2.065 1.00 0.00 H new ATOM 0 HB2 GLN A 102 13.387 9.424 -0.736 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.910 8.625 -0.234 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.595 6.556 -1.381 1.00 0.00 H new ATOM 0 HG3 GLN A 102 14.032 7.344 -2.002 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.468 6.047 0.925 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.920 6.074 1.931 1.00 0.00 H new ATOM 1587 N ASP A 103 13.080 8.464 -4.368 1.00 0.00 N ATOM 1588 CA ASP A 103 13.907 8.607 -5.571 1.00 0.00 C ATOM 1589 C ASP A 103 13.342 9.643 -6.555 1.00 0.00 C ATOM 1590 O ASP A 103 14.101 10.434 -7.117 1.00 0.00 O ATOM 1591 CB ASP A 103 14.108 7.244 -6.257 1.00 0.00 C ATOM 1592 CG ASP A 103 15.223 6.396 -5.618 1.00 0.00 C ATOM 1593 OD1 ASP A 103 16.237 6.975 -5.156 1.00 0.00 O ATOM 1594 OD2 ASP A 103 15.113 5.147 -5.641 1.00 0.00 O ATOM 0 H ASP A 103 12.641 7.547 -4.284 1.00 0.00 H new ATOM 0 HA ASP A 103 14.878 8.982 -5.248 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.172 6.686 -6.222 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.343 7.406 -7.309 1.00 0.00 H new ATOM 1599 N LEU A 104 12.018 9.695 -6.718 1.00 0.00 N ATOM 1600 CA LEU A 104 11.341 10.672 -7.580 1.00 0.00 C ATOM 1601 C LEU A 104 11.333 12.085 -6.977 1.00 0.00 C ATOM 1602 O LEU A 104 11.269 13.061 -7.726 1.00 0.00 O ATOM 1603 CB LEU A 104 9.922 10.163 -7.884 1.00 0.00 C ATOM 1604 CG LEU A 104 9.918 8.884 -8.748 1.00 0.00 C ATOM 1605 CD1 LEU A 104 8.544 8.223 -8.664 1.00 0.00 C ATOM 1606 CD2 LEU A 104 10.269 9.162 -10.216 1.00 0.00 C ATOM 0 H LEU A 104 11.377 9.054 -6.251 1.00 0.00 H new ATOM 0 HA LEU A 104 11.898 10.763 -8.513 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.404 9.964 -6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.363 10.945 -8.398 1.00 0.00 H new ATOM 0 HG LEU A 104 10.688 8.220 -8.355 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.537 7.319 -9.273 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.328 7.964 -7.628 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.785 8.914 -9.031 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.251 8.228 -10.777 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.541 9.854 -10.640 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.264 9.602 -10.275 1.00 0.00 H new ATOM 1618 N MET A 105 11.472 12.209 -5.651 1.00 0.00 N ATOM 1619 CA MET A 105 11.706 13.490 -4.970 1.00 0.00 C ATOM 1620 C MET A 105 13.163 13.960 -5.104 1.00 0.00 C ATOM 1621 O MET A 105 13.393 15.119 -5.453 1.00 0.00 O ATOM 1622 CB MET A 105 11.317 13.386 -3.489 1.00 0.00 C ATOM 1623 CG MET A 105 9.801 13.346 -3.282 1.00 0.00 C ATOM 1624 SD MET A 105 9.361 13.130 -1.541 1.00 0.00 S ATOM 1625 CE MET A 105 7.720 13.886 -1.519 1.00 0.00 C ATOM 0 H MET A 105 11.425 11.414 -5.013 1.00 0.00 H new ATOM 0 HA MET A 105 11.077 14.235 -5.457 1.00 0.00 H new ATOM 0 HB2 MET A 105 11.762 12.487 -3.062 1.00 0.00 H new ATOM 0 HB3 MET A 105 11.732 14.236 -2.947 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.359 14.270 -3.656 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.376 12.530 -3.867 1.00 0.00 H new ATOM 0 HE1 MET A 105 7.361 13.946 -0.492 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.776 14.889 -1.943 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.032 13.280 -2.109 1.00 0.00 H new ATOM 2019 N PHE A 136 -10.212 5.418 2.637 1.00 0.00 N ATOM 2020 CA PHE A 136 -10.399 5.679 4.064 1.00 0.00 C ATOM 2021 C PHE A 136 -9.287 6.587 4.608 1.00 0.00 C ATOM 2022 O PHE A 136 -8.101 6.285 4.453 1.00 0.00 O ATOM 2023 CB PHE A 136 -10.465 4.335 4.803 1.00 0.00 C ATOM 2024 CG PHE A 136 -11.001 4.429 6.220 1.00 0.00 C ATOM 2025 CD1 PHE A 136 -10.135 4.688 7.300 1.00 0.00 C ATOM 2026 CD2 PHE A 136 -12.379 4.263 6.456 1.00 0.00 C ATOM 2027 CE1 PHE A 136 -10.650 4.785 8.607 1.00 0.00 C ATOM 2028 CE2 PHE A 136 -12.891 4.355 7.762 1.00 0.00 C ATOM 2029 CZ PHE A 136 -12.027 4.619 8.837 1.00 0.00 C ATOM 0 HA PHE A 136 -11.335 6.214 4.226 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -11.094 3.651 4.233 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -9.466 3.900 4.833 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -9.076 4.812 7.126 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -13.046 4.064 5.630 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -9.986 4.987 9.434 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -13.948 4.223 7.938 1.00 0.00 H new ATOM 0 HZ PHE A 136 -12.420 4.694 9.840 1.00 0.00 H new ATOM 2039 N ARG A 137 -9.681 7.690 5.258 1.00 0.00 N ATOM 2040 CA ARG A 137 -8.768 8.630 5.916 1.00 0.00 C ATOM 2041 C ARG A 137 -8.598 8.233 7.387 1.00 0.00 C ATOM 2042 O ARG A 137 -9.561 8.262 8.157 1.00 0.00 O ATOM 2043 CB ARG A 137 -9.279 10.081 5.812 1.00 0.00 C ATOM 2044 CG ARG A 137 -9.132 10.718 4.417 1.00 0.00 C ATOM 2045 CD ARG A 137 -10.235 10.345 3.417 1.00 0.00 C ATOM 2046 NE ARG A 137 -11.544 10.896 3.813 1.00 0.00 N ATOM 2047 CZ ARG A 137 -12.743 10.454 3.450 1.00 0.00 C ATOM 2048 NH1 ARG A 137 -12.908 9.381 2.705 1.00 0.00 N ATOM 2049 NH2 ARG A 137 -13.818 11.103 3.842 1.00 0.00 N ATOM 0 H ARG A 137 -10.662 7.958 5.342 1.00 0.00 H new ATOM 0 HA ARG A 137 -7.804 8.583 5.409 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -10.331 10.102 6.097 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.740 10.694 6.535 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -9.114 11.802 4.529 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -8.169 10.425 3.999 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -9.969 10.716 2.427 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -10.305 9.260 3.342 1.00 0.00 H new ATOM 0 HE ARG A 137 -11.527 11.705 4.434 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -12.096 8.854 2.383 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -13.848 9.077 2.450 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -13.727 11.938 4.420 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -14.743 10.771 3.568 1.00 0.00 H new ATOM 2063 N LEU A 138 -7.375 7.879 7.783 1.00 0.00 N ATOM 2064 CA LEU A 138 -7.008 7.599 9.175 1.00 0.00 C ATOM 2065 C LEU A 138 -6.821 8.911 9.956 1.00 0.00 C ATOM 2066 O LEU A 138 -6.343 9.908 9.410 1.00 0.00 O ATOM 2067 CB LEU A 138 -5.725 6.742 9.210 1.00 0.00 C ATOM 2068 CG LEU A 138 -5.832 5.345 8.568 1.00 0.00 C ATOM 2069 CD1 LEU A 138 -4.448 4.688 8.553 1.00 0.00 C ATOM 2070 CD2 LEU A 138 -6.795 4.434 9.332 1.00 0.00 C ATOM 0 H LEU A 138 -6.595 7.776 7.134 1.00 0.00 H new ATOM 0 HA LEU A 138 -7.812 7.040 9.654 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -4.930 7.292 8.707 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -5.420 6.621 10.249 1.00 0.00 H new ATOM 0 HG LEU A 138 -6.215 5.477 7.556 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -4.519 3.699 8.100 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -3.759 5.304 7.974 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -4.079 4.593 9.574 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -6.839 3.460 8.844 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.444 4.311 10.357 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.789 4.881 9.340 1.00 0.00 H new ATOM 2082 N ARG A 139 -7.181 8.895 11.245 1.00 0.00 N ATOM 2083 CA ARG A 139 -7.014 10.028 12.176 1.00 0.00 C ATOM 2084 C ARG A 139 -5.555 10.272 12.602 1.00 0.00 C ATOM 2085 O ARG A 139 -5.194 11.379 13.002 1.00 0.00 O ATOM 2086 CB ARG A 139 -7.862 9.771 13.430 1.00 0.00 C ATOM 2087 CG ARG A 139 -9.364 10.029 13.225 1.00 0.00 C ATOM 2088 CD ARG A 139 -9.699 11.507 12.978 1.00 0.00 C ATOM 2089 NE ARG A 139 -11.157 11.727 12.957 1.00 0.00 N ATOM 2090 CZ ARG A 139 -11.774 12.886 12.748 1.00 0.00 C ATOM 2091 NH1 ARG A 139 -11.109 14.000 12.518 1.00 0.00 N ATOM 2092 NH2 ARG A 139 -13.088 12.938 12.769 1.00 0.00 N ATOM 0 H ARG A 139 -7.606 8.078 11.684 1.00 0.00 H new ATOM 0 HA ARG A 139 -7.339 10.922 11.643 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -7.720 8.738 13.748 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -7.500 10.406 14.239 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -9.715 9.438 12.379 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.908 9.682 14.103 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.247 12.120 13.758 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -9.267 11.827 12.030 1.00 0.00 H new ATOM 0 HE ARG A 139 -11.749 10.912 13.118 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -10.089 13.990 12.496 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -11.614 14.872 12.362 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -13.629 12.092 12.945 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -13.566 13.825 12.609 1.00 0.00 H new ATOM 2106 N HIS A 140 -4.726 9.236 12.513 1.00 0.00 N ATOM 2107 CA HIS A 140 -3.311 9.200 12.902 1.00 0.00 C ATOM 2108 C HIS A 140 -2.451 8.428 11.875 1.00 0.00 C ATOM 2109 O HIS A 140 -2.985 7.779 10.971 1.00 0.00 O ATOM 2110 CB HIS A 140 -3.212 8.574 14.305 1.00 0.00 C ATOM 2111 CG HIS A 140 -3.444 7.084 14.302 1.00 0.00 C ATOM 2112 ND1 HIS A 140 -2.440 6.119 14.214 1.00 0.00 N ATOM 2113 CD2 HIS A 140 -4.659 6.465 14.275 1.00 0.00 C ATOM 2114 CE1 HIS A 140 -3.076 4.939 14.140 1.00 0.00 C ATOM 2115 NE2 HIS A 140 -4.408 5.116 14.172 1.00 0.00 N ATOM 0 H HIS A 140 -5.041 8.339 12.144 1.00 0.00 H new ATOM 0 HA HIS A 140 -2.915 10.215 12.923 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -2.226 8.782 14.721 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -3.942 9.049 14.961 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -5.628 6.940 14.325 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -2.585 3.980 14.065 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -5.111 4.378 14.128 1.00 0.00 H new ATOM 2123 N PHE A 141 -1.123 8.478 12.019 1.00 0.00 N ATOM 2124 CA PHE A 141 -0.191 7.776 11.134 1.00 0.00 C ATOM 2125 C PHE A 141 0.082 6.337 11.637 1.00 0.00 C ATOM 2126 O PHE A 141 0.586 6.186 12.755 1.00 0.00 O ATOM 2127 CB PHE A 141 1.089 8.615 10.989 1.00 0.00 C ATOM 2128 CG PHE A 141 1.882 8.258 9.751 1.00 0.00 C ATOM 2129 CD1 PHE A 141 1.353 8.568 8.483 1.00 0.00 C ATOM 2130 CD2 PHE A 141 3.128 7.614 9.849 1.00 0.00 C ATOM 2131 CE1 PHE A 141 2.052 8.216 7.320 1.00 0.00 C ATOM 2132 CE2 PHE A 141 3.837 7.280 8.681 1.00 0.00 C ATOM 2133 CZ PHE A 141 3.294 7.572 7.419 1.00 0.00 C ATOM 0 H PHE A 141 -0.663 9.010 12.758 1.00 0.00 H new ATOM 0 HA PHE A 141 -0.633 7.662 10.144 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.824 9.672 10.954 1.00 0.00 H new ATOM 0 HB3 PHE A 141 1.714 8.472 11.870 1.00 0.00 H new ATOM 0 HD1 PHE A 141 0.405 9.079 8.406 1.00 0.00 H new ATOM 0 HD2 PHE A 141 3.540 7.376 10.819 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.635 8.440 6.349 1.00 0.00 H new ATOM 0 HE2 PHE A 141 4.801 6.798 8.755 1.00 0.00 H new ATOM 0 HZ PHE A 141 3.834 7.300 6.524 1.00 0.00 H new ATOM 2143 N PRO A 142 -0.241 5.280 10.855 1.00 0.00 N ATOM 2144 CA PRO A 142 -0.219 3.890 11.323 1.00 0.00 C ATOM 2145 C PRO A 142 1.175 3.245 11.310 1.00 0.00 C ATOM 2146 O PRO A 142 1.369 2.210 11.948 1.00 0.00 O ATOM 2147 CB PRO A 142 -1.153 3.143 10.365 1.00 0.00 C ATOM 2148 CG PRO A 142 -0.935 3.883 9.047 1.00 0.00 C ATOM 2149 CD PRO A 142 -0.806 5.332 9.512 1.00 0.00 C ATOM 0 HA PRO A 142 -0.529 3.846 12.367 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -0.893 2.087 10.286 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -2.192 3.192 10.691 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -0.039 3.539 8.530 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -1.771 3.748 8.360 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -0.162 5.900 8.841 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -1.777 5.827 9.517 1.00 0.00 H new ATOM 2157 N CYS A 143 2.141 3.828 10.590 1.00 0.00 N ATOM 2158 CA CYS A 143 3.479 3.269 10.393 1.00 0.00 C ATOM 2159 C CYS A 143 4.490 3.802 11.428 1.00 0.00 C ATOM 2160 O CYS A 143 4.481 4.989 11.771 1.00 0.00 O ATOM 2161 CB CYS A 143 3.882 3.574 8.944 1.00 0.00 C ATOM 2162 SG CYS A 143 5.542 2.940 8.627 1.00 0.00 S ATOM 0 H CYS A 143 2.008 4.723 10.118 1.00 0.00 H new ATOM 0 HA CYS A 143 3.474 2.191 10.554 1.00 0.00 H new ATOM 0 HB2 CYS A 143 3.171 3.118 8.255 1.00 0.00 H new ATOM 0 HB3 CYS A 143 3.853 4.649 8.767 1.00 0.00 H new ATOM 0 HG CYS A 143 6.374 3.934 8.525 1.00 0.00 H new ATOM 2168 N GLY A 144 5.384 2.926 11.906 1.00 0.00 N ATOM 2169 CA GLY A 144 6.466 3.264 12.845 1.00 0.00 C ATOM 2170 C GLY A 144 7.701 3.900 12.190 1.00 0.00 C ATOM 2171 O GLY A 144 8.582 4.382 12.902 1.00 0.00 O ATOM 0 H GLY A 144 5.376 1.940 11.646 1.00 0.00 H new ATOM 0 HA2 GLY A 144 6.076 3.949 13.598 1.00 0.00 H new ATOM 0 HA3 GLY A 144 6.773 2.358 13.367 1.00 0.00 H new ATOM 2175 N ASN A 145 7.762 3.928 10.855 1.00 0.00 N ATOM 2176 CA ASN A 145 8.812 4.572 10.057 1.00 0.00 C ATOM 2177 C ASN A 145 8.257 5.824 9.355 1.00 0.00 C ATOM 2178 O ASN A 145 7.184 5.770 8.756 1.00 0.00 O ATOM 2179 CB ASN A 145 9.349 3.577 9.012 1.00 0.00 C ATOM 2180 CG ASN A 145 9.932 2.309 9.631 1.00 0.00 C ATOM 2181 OD1 ASN A 145 10.741 2.352 10.551 1.00 0.00 O ATOM 2182 ND2 ASN A 145 9.544 1.146 9.140 1.00 0.00 N ATOM 0 H ASN A 145 7.050 3.483 10.275 1.00 0.00 H new ATOM 0 HA ASN A 145 9.624 4.875 10.717 1.00 0.00 H new ATOM 0 HB2 ASN A 145 8.542 3.304 8.332 1.00 0.00 H new ATOM 0 HB3 ASN A 145 10.117 4.068 8.414 1.00 0.00 H new ATOM 0 HD21 ASN A 145 9.918 0.279 9.526 1.00 0.00 H new ATOM 0 HD22 ASN A 145 8.871 1.115 8.374 1.00 0.00 H new ATOM 2189 N VAL A 146 8.987 6.940 9.393 1.00 0.00 N ATOM 2190 CA VAL A 146 8.607 8.214 8.761 1.00 0.00 C ATOM 2191 C VAL A 146 9.831 8.826 8.079 1.00 0.00 C ATOM 2192 O VAL A 146 10.913 8.892 8.662 1.00 0.00 O ATOM 2193 CB VAL A 146 7.996 9.198 9.791 1.00 0.00 C ATOM 2194 CG1 VAL A 146 7.824 10.611 9.213 1.00 0.00 C ATOM 2195 CG2 VAL A 146 6.614 8.729 10.264 1.00 0.00 C ATOM 0 H VAL A 146 9.884 6.989 9.876 1.00 0.00 H new ATOM 0 HA VAL A 146 7.839 8.018 8.013 1.00 0.00 H new ATOM 0 HB VAL A 146 8.699 9.222 10.624 1.00 0.00 H new ATOM 0 HG11 VAL A 146 7.393 11.264 9.971 1.00 0.00 H new ATOM 0 HG12 VAL A 146 8.796 11.000 8.909 1.00 0.00 H new ATOM 0 HG13 VAL A 146 7.162 10.572 8.348 1.00 0.00 H new ATOM 0 HG21 VAL A 146 6.215 9.442 10.985 1.00 0.00 H new ATOM 0 HG22 VAL A 146 5.941 8.662 9.410 1.00 0.00 H new ATOM 0 HG23 VAL A 146 6.703 7.749 10.734 1.00 0.00 H new ATOM 2205 N ASN A 147 9.625 9.294 6.849 1.00 0.00 N ATOM 2206 CA ASN A 147 10.584 10.048 6.048 1.00 0.00 C ATOM 2207 C ASN A 147 9.920 11.303 5.448 1.00 0.00 C ATOM 2208 O ASN A 147 8.693 11.398 5.340 1.00 0.00 O ATOM 2209 CB ASN A 147 11.173 9.122 4.969 1.00 0.00 C ATOM 2210 CG ASN A 147 12.387 9.713 4.254 1.00 0.00 C ATOM 2211 OD1 ASN A 147 13.134 10.516 4.800 1.00 0.00 O ATOM 2212 ND2 ASN A 147 12.623 9.334 3.012 1.00 0.00 N ATOM 0 H ASN A 147 8.741 9.150 6.361 1.00 0.00 H new ATOM 0 HA ASN A 147 11.402 10.401 6.676 1.00 0.00 H new ATOM 0 HB2 ASN A 147 11.458 8.176 5.430 1.00 0.00 H new ATOM 0 HB3 ASN A 147 10.401 8.898 4.233 1.00 0.00 H new ATOM 0 HD21 ASN A 147 13.426 9.710 2.508 1.00 0.00 H new ATOM 0 HD22 ASN A 147 12.002 8.666 2.556 1.00 0.00 H new ATOM 2219 N TYR A 148 10.750 12.277 5.074 1.00 0.00 N ATOM 2220 CA TYR A 148 10.347 13.616 4.641 1.00 0.00 C ATOM 2221 C TYR A 148 10.885 13.935 3.237 1.00 0.00 C ATOM 2222 O TYR A 148 11.980 13.503 2.863 1.00 0.00 O ATOM 2223 CB TYR A 148 10.838 14.639 5.678 1.00 0.00 C ATOM 2224 CG TYR A 148 10.409 14.336 7.104 1.00 0.00 C ATOM 2225 CD1 TYR A 148 9.056 14.464 7.471 1.00 0.00 C ATOM 2226 CD2 TYR A 148 11.352 13.889 8.052 1.00 0.00 C ATOM 2227 CE1 TYR A 148 8.645 14.148 8.780 1.00 0.00 C ATOM 2228 CE2 TYR A 148 10.947 13.574 9.364 1.00 0.00 C ATOM 2229 CZ TYR A 148 9.589 13.708 9.734 1.00 0.00 C ATOM 2230 OH TYR A 148 9.185 13.408 11.001 1.00 0.00 O ATOM 0 H TYR A 148 11.762 12.150 5.064 1.00 0.00 H new ATOM 0 HA TYR A 148 9.260 13.664 4.575 1.00 0.00 H new ATOM 0 HB2 TYR A 148 11.926 14.684 5.640 1.00 0.00 H new ATOM 0 HB3 TYR A 148 10.468 15.626 5.401 1.00 0.00 H new ATOM 0 HD1 TYR A 148 8.331 14.805 6.747 1.00 0.00 H new ATOM 0 HD2 TYR A 148 12.390 13.788 7.771 1.00 0.00 H new ATOM 0 HE1 TYR A 148 7.605 14.242 9.055 1.00 0.00 H new ATOM 0 HE2 TYR A 148 11.673 13.231 10.086 1.00 0.00 H new ATOM 0 HH TYR A 148 9.957 13.120 11.531 1.00 0.00 H new