USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 774 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 76 SER OG : rot 170:sc= -0.151 USER MOD Set 1.2: A 80 CYS SG : rot -99:sc= -0.0261 USER MOD Set 1.3: A 82 THR OG1 : rot 130:sc= 0.829 USER MOD Set 2.1: A 69 SER OG : rot -76:sc= 0.0964 USER MOD Set 2.2: A 70 ASN : amide:sc= -0.604 K(o=-0.51,f=-5.4!) USER MOD Set 3.1: A 65 TYR OH : rot -67:sc= 0.461 USER MOD Set 3.2: A 102 GLN : amide:sc= 0 X(o=-0.39,f=-0.86) USER MOD Set 3.3: A 147 ASN : amide:sc= -0.847 K(o=-0.39,f=-5.3!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.139 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= -1.26 K(o=-1.3,f=-2.4!) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00339 USER MOD Single : A 38 MET CE :methyl 153:sc= -0.175 (180deg=-0.981) USER MOD Single : A 41 THR OG1 : rot -20:sc= 0.847 USER MOD Single : A 42 GLN : amide:sc= -0.9 K(o=-0.9,f=-2.5!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.274 X(o=-0.27,f=0) USER MOD Single : A 59 TYR OH : rot 167:sc= 0.895 USER MOD Single : A 61 CYS SG : rot 180:sc= -2.38 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 36:sc= 0.283 USER MOD Single : A 81 GLN :FLIP amide:sc= -3.35 F(o=-4.5!,f=-3.3) 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 72:sc= 0.406 USER MOD Single : A 92 SER OG : rot 180:sc= -0.0667 USER MOD Single : A 99 ASN :FLIP amide:sc= -0.0798 F(o=-1.2,f=-0.08) USER MOD Single : A 105 MET CE :methyl 154:sc= -1.27 (180deg=-1.91) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 CYS SG : rot 180:sc= 0 USER MOD Single : A 145 ASN : amide:sc= 0.147 X(o=0.15,f=-0.15) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 19 11.156 -6.721 -3.094 1.00 0.00 N ATOM 235 CA THR A 19 10.037 -6.418 -3.977 1.00 0.00 C ATOM 236 C THR A 19 8.711 -6.820 -3.341 1.00 0.00 C ATOM 237 O THR A 19 7.878 -5.970 -3.025 1.00 0.00 O ATOM 238 CB THR A 19 10.181 -7.133 -5.333 1.00 0.00 C ATOM 239 OG1 THR A 19 10.297 -8.546 -5.131 1.00 0.00 O ATOM 240 CG2 THR A 19 11.399 -6.622 -6.087 1.00 0.00 C ATOM 0 HA THR A 19 10.047 -5.340 -4.141 1.00 0.00 H new ATOM 0 HB THR A 19 9.291 -6.923 -5.927 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.387 -8.994 -5.998 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.480 -7.142 -7.042 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.295 -5.552 -6.264 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.296 -6.806 -5.496 1.00 0.00 H new ATOM 248 N LYS A 20 8.520 -8.122 -3.156 1.00 0.00 N ATOM 249 CA LYS A 20 7.295 -8.638 -2.556 1.00 0.00 C ATOM 250 C LYS A 20 7.154 -8.164 -1.113 1.00 0.00 C ATOM 251 O LYS A 20 8.144 -7.848 -0.454 1.00 0.00 O ATOM 252 CB LYS A 20 7.284 -10.168 -2.605 1.00 0.00 C ATOM 253 CG LYS A 20 7.526 -10.734 -3.994 1.00 0.00 C ATOM 254 CD LYS A 20 7.252 -12.227 -4.043 1.00 0.00 C ATOM 255 CE LYS A 20 7.318 -12.760 -5.466 1.00 0.00 C ATOM 256 NZ LYS A 20 8.680 -13.254 -5.811 1.00 0.00 N ATOM 0 H LYS A 20 9.198 -8.839 -3.413 1.00 0.00 H new ATOM 0 HA LYS A 20 6.450 -8.256 -3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.048 -10.550 -1.928 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.323 -10.528 -2.237 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.886 -10.222 -4.713 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.557 -10.542 -4.291 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.979 -12.752 -3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.267 -12.431 -3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.597 -13.569 -5.584 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.030 -11.972 -6.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.683 -13.609 -6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.364 -12.476 -5.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.945 -14.023 -5.163 1.00 0.00 H new ATOM 270 N PHE A 21 5.917 -8.118 -0.629 1.00 0.00 N ATOM 271 CA PHE A 21 5.647 -7.683 0.737 1.00 0.00 C ATOM 272 C PHE A 21 4.432 -8.407 1.308 1.00 0.00 C ATOM 273 O PHE A 21 3.301 -8.186 0.872 1.00 0.00 O ATOM 274 CB PHE A 21 5.420 -6.170 0.777 1.00 0.00 C ATOM 275 CG PHE A 21 6.650 -5.370 0.457 1.00 0.00 C ATOM 276 CD1 PHE A 21 7.571 -5.065 1.446 1.00 0.00 C ATOM 277 CD2 PHE A 21 6.885 -4.923 -0.833 1.00 0.00 C ATOM 278 CE1 PHE A 21 8.704 -4.329 1.155 1.00 0.00 C ATOM 279 CE2 PHE A 21 8.017 -4.187 -1.130 1.00 0.00 C ATOM 280 CZ PHE A 21 8.927 -3.889 -0.134 1.00 0.00 C ATOM 0 H PHE A 21 5.086 -8.376 -1.162 1.00 0.00 H new ATOM 0 HA PHE A 21 6.515 -7.929 1.349 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.633 -5.910 0.069 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.062 -5.891 1.768 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.402 -5.406 2.456 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.176 -5.152 -1.615 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.414 -4.098 1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.190 -3.845 -2.140 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.811 -3.313 -0.364 1.00 0.00 H new ATOM 290 N LYS A 22 4.672 -9.273 2.286 1.00 0.00 N ATOM 291 CA LYS A 22 3.599 -10.030 2.919 1.00 0.00 C ATOM 292 C LYS A 22 2.493 -9.101 3.408 1.00 0.00 C ATOM 293 O LYS A 22 2.646 -8.416 4.420 1.00 0.00 O ATOM 294 CB LYS A 22 4.147 -10.850 4.090 1.00 0.00 C ATOM 295 CG LYS A 22 5.164 -11.898 3.675 1.00 0.00 C ATOM 296 CD LYS A 22 4.489 -13.144 3.127 1.00 0.00 C ATOM 297 CE LYS A 22 5.481 -14.284 2.951 1.00 0.00 C ATOM 298 NZ LYS A 22 5.779 -14.964 4.241 1.00 0.00 N ATOM 0 H LYS A 22 5.601 -9.468 2.658 1.00 0.00 H new ATOM 0 HA LYS A 22 3.178 -10.707 2.175 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.607 -10.175 4.811 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.317 -11.342 4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.829 -11.481 2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.783 -12.165 4.532 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.692 -13.455 3.803 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.023 -12.915 2.169 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.079 -15.009 2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.406 -13.898 2.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.459 -15.734 4.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.186 -14.278 4.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.901 -15.355 4.638 1.00 0.00 H new ATOM 312 N VAL A 23 1.377 -9.084 2.685 1.00 0.00 N ATOM 313 CA VAL A 23 0.244 -8.241 3.047 1.00 0.00 C ATOM 314 C VAL A 23 -0.988 -9.082 3.362 1.00 0.00 C ATOM 315 O VAL A 23 -1.094 -10.233 2.936 1.00 0.00 O ATOM 316 CB VAL A 23 -0.099 -7.248 1.921 1.00 0.00 C ATOM 317 CG1 VAL A 23 1.080 -6.329 1.642 1.00 0.00 C ATOM 318 CG2 VAL A 23 -0.514 -7.994 0.662 1.00 0.00 C ATOM 0 H VAL A 23 1.234 -9.645 1.845 1.00 0.00 H new ATOM 0 HA VAL A 23 0.536 -7.683 3.937 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.939 -6.633 2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.819 -5.634 0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.326 -5.769 2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.941 -6.924 1.338 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.753 -7.277 -0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.304 -8.634 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.391 -8.606 0.874 1.00 0.00 H new ATOM 328 N THR A 24 -1.920 -8.500 4.111 1.00 0.00 N ATOM 329 CA THR A 24 -3.145 -9.195 4.483 1.00 0.00 C ATOM 330 C THR A 24 -4.352 -8.269 4.392 1.00 0.00 C ATOM 331 O THR A 24 -4.520 -7.369 5.214 1.00 0.00 O ATOM 332 CB THR A 24 -3.056 -9.763 5.912 1.00 0.00 C ATOM 333 OG1 THR A 24 -1.910 -10.614 6.030 1.00 0.00 O ATOM 334 CG2 THR A 24 -4.313 -10.545 6.263 1.00 0.00 C ATOM 0 H THR A 24 -1.849 -7.549 4.472 1.00 0.00 H new ATOM 0 HA THR A 24 -3.268 -10.018 3.779 1.00 0.00 H new ATOM 0 HB THR A 24 -2.961 -8.928 6.606 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.859 -10.970 6.942 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.227 -10.936 7.277 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.180 -9.887 6.200 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.434 -11.372 5.564 1.00 0.00 H new ATOM 342 N ASN A 25 -5.191 -8.496 3.386 1.00 0.00 N ATOM 343 CA ASN A 25 -6.384 -7.681 3.187 1.00 0.00 C ATOM 344 C ASN A 25 -7.316 -7.778 4.392 1.00 0.00 C ATOM 345 O ASN A 25 -7.410 -8.823 5.035 1.00 0.00 O ATOM 346 CB ASN A 25 -7.122 -8.120 1.921 1.00 0.00 C ATOM 347 CG ASN A 25 -8.553 -7.619 1.882 1.00 0.00 C ATOM 348 OD1 ASN A 25 -9.482 -8.331 2.264 1.00 0.00 O ATOM 349 ND2 ASN A 25 -8.736 -6.388 1.419 1.00 0.00 N ATOM 0 H ASN A 25 -5.067 -9.237 2.696 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.070 -6.643 3.075 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.587 -7.751 1.046 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.119 -9.208 1.861 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.677 -5.996 1.369 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.936 -5.834 1.113 1.00 0.00 H new ATOM 356 N VAL A 26 -8.005 -6.681 4.690 1.00 0.00 N ATOM 357 CA VAL A 26 -8.931 -6.642 5.815 1.00 0.00 C ATOM 358 C VAL A 26 -10.222 -5.922 5.440 1.00 0.00 C ATOM 359 O VAL A 26 -10.373 -5.442 4.317 1.00 0.00 O ATOM 360 CB VAL A 26 -8.302 -5.944 7.036 1.00 0.00 C ATOM 361 CG1 VAL A 26 -7.004 -6.629 7.433 1.00 0.00 C ATOM 362 CG2 VAL A 26 -8.069 -4.469 6.744 1.00 0.00 C ATOM 0 H VAL A 26 -7.939 -5.807 4.168 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.158 -7.676 6.074 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.995 -6.020 7.874 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.575 -6.122 8.297 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.205 -7.670 7.686 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.301 -6.587 6.601 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.624 -3.991 7.617 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.396 -4.369 5.893 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.020 -3.989 6.513 1.00 0.00 H new ATOM 372 N ASP A 27 -11.149 -5.851 6.388 1.00 0.00 N ATOM 373 CA ASP A 27 -12.428 -5.188 6.159 1.00 0.00 C ATOM 374 C ASP A 27 -12.478 -3.841 6.875 1.00 0.00 C ATOM 375 O ASP A 27 -11.526 -3.451 7.551 1.00 0.00 O ATOM 376 CB ASP A 27 -13.579 -6.075 6.633 1.00 0.00 C ATOM 377 CG ASP A 27 -13.235 -6.848 7.891 1.00 0.00 C ATOM 378 OD1 ASP A 27 -12.979 -6.205 8.932 1.00 0.00 O ATOM 379 OD2 ASP A 27 -13.221 -8.095 7.836 1.00 0.00 O ATOM 0 H ASP A 27 -11.039 -6.244 7.323 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.532 -5.014 5.088 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.457 -5.457 6.819 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.844 -6.775 5.841 1.00 0.00 H new ATOM 384 N ASP A 28 -13.593 -3.137 6.721 1.00 0.00 N ATOM 385 CA ASP A 28 -13.768 -1.834 7.352 1.00 0.00 C ATOM 386 C ASP A 28 -13.282 -1.861 8.798 1.00 0.00 C ATOM 387 O ASP A 28 -12.664 -0.909 9.273 1.00 0.00 O ATOM 388 CB ASP A 28 -15.237 -1.412 7.303 1.00 0.00 C ATOM 389 CG ASP A 28 -16.175 -2.530 7.716 1.00 0.00 C ATOM 390 OD1 ASP A 28 -16.330 -3.493 6.937 1.00 0.00 O ATOM 391 OD2 ASP A 28 -16.752 -2.441 8.820 1.00 0.00 O ATOM 0 H ASP A 28 -14.390 -3.446 6.165 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.171 -1.108 6.800 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -15.388 -0.554 7.959 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -15.485 -1.088 6.292 1.00 0.00 H new ATOM 396 N GLU A 29 -13.568 -2.959 9.492 1.00 0.00 N ATOM 397 CA GLU A 29 -13.161 -3.109 10.885 1.00 0.00 C ATOM 398 C GLU A 29 -11.661 -3.368 10.988 1.00 0.00 C ATOM 399 O GLU A 29 -10.961 -2.725 11.769 1.00 0.00 O ATOM 400 CB GLU A 29 -13.935 -4.252 11.545 1.00 0.00 C ATOM 401 CG GLU A 29 -15.423 -3.979 11.683 1.00 0.00 C ATOM 402 CD GLU A 29 -15.717 -2.768 12.546 1.00 0.00 C ATOM 403 OE1 GLU A 29 -15.526 -1.633 12.060 1.00 0.00 O ATOM 404 OE2 GLU A 29 -16.137 -2.954 13.707 1.00 0.00 O ATOM 0 H GLU A 29 -14.079 -3.756 9.113 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.388 -2.179 11.406 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.794 -5.161 10.960 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.516 -4.441 12.533 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.854 -3.828 10.693 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.911 -4.854 12.113 1.00 0.00 H new ATOM 411 N GLY A 30 -11.174 -4.318 10.195 1.00 0.00 N ATOM 412 CA GLY A 30 -9.761 -4.648 10.213 1.00 0.00 C ATOM 413 C GLY A 30 -9.510 -6.107 10.537 1.00 0.00 C ATOM 414 O GLY A 30 -8.497 -6.450 11.146 1.00 0.00 O ATOM 0 H GLY A 30 -11.733 -4.865 9.540 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.324 -4.414 9.242 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.255 -4.023 10.949 1.00 0.00 H new ATOM 418 N VAL A 31 -10.437 -6.970 10.132 1.00 0.00 N ATOM 419 CA VAL A 31 -10.312 -8.400 10.383 1.00 0.00 C ATOM 420 C VAL A 31 -9.576 -9.096 9.243 1.00 0.00 C ATOM 421 O VAL A 31 -9.991 -9.022 8.087 1.00 0.00 O ATOM 422 CB VAL A 31 -11.691 -9.061 10.567 1.00 0.00 C ATOM 423 CG1 VAL A 31 -11.538 -10.544 10.866 1.00 0.00 C ATOM 424 CG2 VAL A 31 -12.471 -8.364 11.672 1.00 0.00 C ATOM 0 H VAL A 31 -11.283 -6.703 9.629 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.739 -8.510 11.303 1.00 0.00 H new ATOM 0 HB VAL A 31 -12.250 -8.959 9.637 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.523 -10.993 10.993 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.021 -11.030 10.039 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.960 -10.673 11.781 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -13.443 -8.843 11.789 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.917 -8.434 12.608 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.613 -7.315 11.411 1.00 0.00 H new ATOM 434 N GLU A 32 -8.481 -9.772 9.579 1.00 0.00 N ATOM 435 CA GLU A 32 -7.687 -10.482 8.582 1.00 0.00 C ATOM 436 C GLU A 32 -8.526 -11.540 7.871 1.00 0.00 C ATOM 437 O GLU A 32 -8.862 -12.574 8.449 1.00 0.00 O ATOM 438 CB GLU A 32 -6.471 -11.137 9.240 1.00 0.00 C ATOM 439 CG GLU A 32 -5.553 -10.150 9.942 1.00 0.00 C ATOM 440 CD GLU A 32 -4.833 -10.764 11.127 1.00 0.00 C ATOM 441 OE1 GLU A 32 -5.511 -11.129 12.109 1.00 0.00 O ATOM 442 OE2 GLU A 32 -3.591 -10.879 11.070 1.00 0.00 O ATOM 0 H GLU A 32 -8.124 -9.843 10.532 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.345 -9.757 7.843 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.814 -11.878 9.962 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.902 -11.672 8.480 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.818 -9.774 9.230 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.137 -9.294 10.280 1.00 0.00 H new ATOM 449 N LEU A 33 -8.861 -11.273 6.614 1.00 0.00 N ATOM 450 CA LEU A 33 -9.661 -12.201 5.822 1.00 0.00 C ATOM 451 C LEU A 33 -8.771 -13.209 5.102 1.00 0.00 C ATOM 452 O LEU A 33 -8.870 -14.414 5.331 1.00 0.00 O ATOM 453 CB LEU A 33 -10.509 -11.435 4.805 1.00 0.00 C ATOM 454 CG LEU A 33 -11.367 -10.300 5.366 1.00 0.00 C ATOM 455 CD1 LEU A 33 -11.861 -9.399 4.245 1.00 0.00 C ATOM 456 CD2 LEU A 33 -12.540 -10.860 6.158 1.00 0.00 C ATOM 0 H LEU A 33 -8.591 -10.422 6.121 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.320 -12.744 6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.845 -11.021 4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.165 -12.145 4.301 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.751 -9.703 6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.470 -8.598 4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.007 -8.970 3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.461 -9.983 3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.140 -10.039 6.550 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.156 -11.480 5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.166 -11.463 6.985 1.00 0.00 H new ATOM 468 N GLY A 34 -7.901 -12.707 4.231 1.00 0.00 N ATOM 469 CA GLY A 34 -7.005 -13.578 3.492 1.00 0.00 C ATOM 470 C GLY A 34 -5.623 -12.978 3.322 1.00 0.00 C ATOM 471 O GLY A 34 -5.486 -11.779 3.076 1.00 0.00 O ATOM 0 H GLY A 34 -7.800 -11.713 4.024 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.922 -14.533 4.011 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.431 -13.784 2.510 1.00 0.00 H new ATOM 475 N SER A 35 -4.597 -13.812 3.454 1.00 0.00 N ATOM 476 CA SER A 35 -3.219 -13.356 3.319 1.00 0.00 C ATOM 477 C SER A 35 -2.770 -13.409 1.862 1.00 0.00 C ATOM 478 O SER A 35 -3.082 -14.353 1.138 1.00 0.00 O ATOM 479 CB SER A 35 -2.289 -14.210 4.182 1.00 0.00 C ATOM 480 OG SER A 35 -2.474 -15.590 3.919 1.00 0.00 O ATOM 0 H SER A 35 -4.694 -14.807 3.654 1.00 0.00 H new ATOM 0 HA SER A 35 -3.170 -12.322 3.659 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.252 -13.935 3.987 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.479 -14.009 5.236 1.00 0.00 H new ATOM 0 HG SER A 35 -1.867 -16.115 4.482 1.00 0.00 H new ATOM 486 N GLY A 36 -2.033 -12.386 1.438 1.00 0.00 N ATOM 487 CA GLY A 36 -1.552 -12.335 0.070 1.00 0.00 C ATOM 488 C GLY A 36 -0.239 -11.588 -0.056 1.00 0.00 C ATOM 489 O GLY A 36 0.111 -10.783 0.808 1.00 0.00 O ATOM 0 H GLY A 36 -1.761 -11.592 2.018 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.426 -13.350 -0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.302 -11.854 -0.558 1.00 0.00 H new ATOM 493 N VAL A 37 0.491 -11.854 -1.134 1.00 0.00 N ATOM 494 CA VAL A 37 1.774 -11.202 -1.369 1.00 0.00 C ATOM 495 C VAL A 37 1.627 -10.037 -2.342 1.00 0.00 C ATOM 496 O VAL A 37 1.165 -10.212 -3.469 1.00 0.00 O ATOM 497 CB VAL A 37 2.814 -12.193 -1.924 1.00 0.00 C ATOM 498 CG1 VAL A 37 4.133 -11.486 -2.196 1.00 0.00 C ATOM 499 CG2 VAL A 37 3.010 -13.354 -0.961 1.00 0.00 C ATOM 0 H VAL A 37 0.216 -12.517 -1.859 1.00 0.00 H new ATOM 0 HA VAL A 37 2.120 -10.826 -0.406 1.00 0.00 H new ATOM 0 HB VAL A 37 2.443 -12.593 -2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.856 -12.202 -2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.976 -10.692 -2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.514 -11.057 -1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.748 -14.045 -1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.359 -12.975 -0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.063 -13.876 -0.822 1.00 0.00 H new ATOM 509 N MET A 38 2.025 -8.849 -1.899 1.00 0.00 N ATOM 510 CA MET A 38 1.939 -7.655 -2.731 1.00 0.00 C ATOM 511 C MET A 38 3.237 -7.437 -3.504 1.00 0.00 C ATOM 512 O MET A 38 4.328 -7.623 -2.966 1.00 0.00 O ATOM 513 CB MET A 38 1.632 -6.428 -1.871 1.00 0.00 C ATOM 514 CG MET A 38 1.584 -5.130 -2.660 1.00 0.00 C ATOM 515 SD MET A 38 0.027 -4.910 -3.542 1.00 0.00 S ATOM 516 CE MET A 38 -1.115 -4.729 -2.174 1.00 0.00 C ATOM 0 H MET A 38 2.410 -8.688 -0.968 1.00 0.00 H new ATOM 0 HA MET A 38 1.130 -7.799 -3.447 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.675 -6.575 -1.371 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.389 -6.342 -1.092 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.734 -4.291 -1.981 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.407 -5.113 -3.374 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.972 -4.135 -2.492 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.455 -5.713 -1.851 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.614 -4.229 -1.345 1.00 0.00 H new ATOM 526 N GLU A 39 3.109 -7.043 -4.767 1.00 0.00 N ATOM 527 CA GLU A 39 4.273 -6.801 -5.612 1.00 0.00 C ATOM 528 C GLU A 39 4.174 -5.441 -6.297 1.00 0.00 C ATOM 529 O GLU A 39 3.083 -4.983 -6.640 1.00 0.00 O ATOM 530 CB GLU A 39 4.406 -7.905 -6.662 1.00 0.00 C ATOM 531 CG GLU A 39 5.717 -7.860 -7.430 1.00 0.00 C ATOM 532 CD GLU A 39 6.861 -8.501 -6.669 1.00 0.00 C ATOM 533 OE1 GLU A 39 7.068 -8.139 -5.491 1.00 0.00 O ATOM 534 OE2 GLU A 39 7.550 -9.364 -7.251 1.00 0.00 O ATOM 0 H GLU A 39 2.213 -6.885 -5.227 1.00 0.00 H new ATOM 0 HA GLU A 39 5.159 -6.805 -4.977 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.315 -8.874 -6.172 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.579 -7.826 -7.367 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.591 -8.368 -8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.969 -6.823 -7.651 1.00 0.00 H new ATOM 541 N LEU A 40 5.321 -4.800 -6.494 1.00 0.00 N ATOM 542 CA LEU A 40 5.366 -3.492 -7.138 1.00 0.00 C ATOM 543 C LEU A 40 6.426 -3.460 -8.234 1.00 0.00 C ATOM 544 O LEU A 40 7.623 -3.547 -7.958 1.00 0.00 O ATOM 545 CB LEU A 40 5.652 -2.402 -6.104 1.00 0.00 C ATOM 546 CG LEU A 40 4.429 -1.774 -5.435 1.00 0.00 C ATOM 547 CD1 LEU A 40 3.938 -2.649 -4.292 1.00 0.00 C ATOM 548 CD2 LEU A 40 4.755 -0.374 -4.934 1.00 0.00 C ATOM 0 H LEU A 40 6.232 -5.165 -6.217 1.00 0.00 H new ATOM 0 HA LEU A 40 4.394 -3.306 -7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.289 -2.824 -5.327 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.223 -1.610 -6.589 1.00 0.00 H new ATOM 0 HG LEU A 40 3.633 -1.698 -6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.067 -2.186 -3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.665 -3.631 -4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.730 -2.757 -3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.873 0.058 -4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.567 -0.427 -4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.059 0.251 -5.774 1.00 0.00 H new ATOM 560 N THR A 41 5.979 -3.333 -9.480 1.00 0.00 N ATOM 561 CA THR A 41 6.889 -3.289 -10.617 1.00 0.00 C ATOM 562 C THR A 41 6.940 -1.892 -11.227 1.00 0.00 C ATOM 563 O THR A 41 6.198 -1.000 -10.817 1.00 0.00 O ATOM 564 CB THR A 41 6.476 -4.297 -11.706 1.00 0.00 C ATOM 565 OG1 THR A 41 5.179 -3.965 -12.215 1.00 0.00 O ATOM 566 CG2 THR A 41 6.462 -5.715 -11.154 1.00 0.00 C ATOM 0 H THR A 41 4.992 -3.259 -9.727 1.00 0.00 H new ATOM 0 HA THR A 41 7.877 -3.555 -10.241 1.00 0.00 H new ATOM 0 HB THR A 41 7.207 -4.245 -12.513 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.709 -3.399 -11.568 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.167 -6.409 -11.941 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.458 -5.975 -10.795 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.751 -5.778 -10.330 1.00 0.00 H new ATOM 574 N GLN A 42 7.819 -1.711 -12.207 1.00 0.00 N ATOM 575 CA GLN A 42 7.965 -0.422 -12.872 1.00 0.00 C ATOM 576 C GLN A 42 6.738 -0.105 -13.721 1.00 0.00 C ATOM 577 O GLN A 42 6.338 1.053 -13.842 1.00 0.00 O ATOM 578 CB GLN A 42 9.220 -0.415 -13.747 1.00 0.00 C ATOM 579 CG GLN A 42 10.514 -0.340 -12.953 1.00 0.00 C ATOM 580 CD GLN A 42 10.751 -1.573 -12.103 1.00 0.00 C ATOM 581 OE1 GLN A 42 10.522 -2.699 -12.545 1.00 0.00 O ATOM 582 NE2 GLN A 42 11.211 -1.366 -10.874 1.00 0.00 N ATOM 0 H GLN A 42 8.440 -2.440 -12.558 1.00 0.00 H new ATOM 0 HA GLN A 42 8.061 0.345 -12.104 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.231 -1.317 -14.360 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.172 0.434 -14.430 1.00 0.00 H new ATOM 0 HG2 GLN A 42 11.350 -0.211 -13.640 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.491 0.540 -12.311 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.387 -0.415 -10.549 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.388 -2.158 -10.256 1.00 0.00 H new ATOM 591 N SER A 43 6.146 -1.141 -14.306 1.00 0.00 N ATOM 592 CA SER A 43 4.967 -0.972 -15.147 1.00 0.00 C ATOM 593 C SER A 43 3.773 -0.502 -14.321 1.00 0.00 C ATOM 594 O SER A 43 3.308 0.628 -14.472 1.00 0.00 O ATOM 595 CB SER A 43 4.626 -2.285 -15.854 1.00 0.00 C ATOM 596 OG SER A 43 5.421 -2.461 -17.014 1.00 0.00 O ATOM 0 H SER A 43 6.463 -2.106 -14.213 1.00 0.00 H new ATOM 0 HA SER A 43 5.191 -0.212 -15.895 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.783 -3.120 -15.172 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.571 -2.291 -16.128 1.00 0.00 H new ATOM 0 HG SER A 43 5.185 -3.308 -17.447 1.00 0.00 H new ATOM 602 N GLU A 44 3.283 -1.377 -13.449 1.00 0.00 N ATOM 603 CA GLU A 44 2.143 -1.051 -12.600 1.00 0.00 C ATOM 604 C GLU A 44 2.148 -1.903 -11.334 1.00 0.00 C ATOM 605 O GLU A 44 3.045 -2.721 -11.125 1.00 0.00 O ATOM 606 CB GLU A 44 0.834 -1.260 -13.363 1.00 0.00 C ATOM 607 CG GLU A 44 0.704 -2.641 -13.984 1.00 0.00 C ATOM 608 CD GLU A 44 -0.127 -2.635 -15.252 1.00 0.00 C ATOM 609 OE1 GLU A 44 0.370 -2.139 -16.284 1.00 0.00 O ATOM 610 OE2 GLU A 44 -1.275 -3.126 -15.211 1.00 0.00 O ATOM 0 H GLU A 44 3.657 -2.316 -13.312 1.00 0.00 H new ATOM 0 HA GLU A 44 2.224 -0.003 -12.313 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.003 -1.096 -12.684 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.758 -0.509 -14.149 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.698 -3.030 -14.207 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.251 -3.319 -13.261 1.00 0.00 H new ATOM 617 N LEU A 45 1.140 -1.705 -10.491 1.00 0.00 N ATOM 618 CA LEU A 45 1.026 -2.454 -9.245 1.00 0.00 C ATOM 619 C LEU A 45 0.410 -3.828 -9.489 1.00 0.00 C ATOM 620 O LEU A 45 -0.618 -3.950 -10.154 1.00 0.00 O ATOM 621 CB LEU A 45 0.181 -1.676 -8.235 1.00 0.00 C ATOM 622 CG LEU A 45 0.593 -1.813 -6.768 1.00 0.00 C ATOM 623 CD1 LEU A 45 -0.109 -0.766 -5.917 1.00 0.00 C ATOM 624 CD2 LEU A 45 0.285 -3.212 -6.256 1.00 0.00 C ATOM 0 H LEU A 45 0.390 -1.032 -10.648 1.00 0.00 H new ATOM 0 HA LEU A 45 2.029 -2.593 -8.841 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.211 -0.620 -8.503 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.855 -2.000 -8.332 1.00 0.00 H new ATOM 0 HG LEU A 45 1.668 -1.650 -6.696 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.196 -0.879 -4.877 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.161 0.230 -6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.188 -0.898 -5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.585 -3.291 -5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.785 -3.404 -6.342 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.834 -3.945 -6.847 1.00 0.00 H new ATOM 636 N VAL A 46 1.046 -4.861 -8.944 1.00 0.00 N ATOM 637 CA VAL A 46 0.559 -6.227 -9.100 1.00 0.00 C ATOM 638 C VAL A 46 0.365 -6.899 -7.746 1.00 0.00 C ATOM 639 O VAL A 46 1.178 -6.732 -6.836 1.00 0.00 O ATOM 640 CB VAL A 46 1.526 -7.074 -9.948 1.00 0.00 C ATOM 641 CG1 VAL A 46 0.993 -8.489 -10.112 1.00 0.00 C ATOM 642 CG2 VAL A 46 1.758 -6.422 -11.302 1.00 0.00 C ATOM 0 H VAL A 46 1.899 -4.778 -8.391 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.401 -6.164 -9.612 1.00 0.00 H new ATOM 0 HB VAL A 46 2.483 -7.130 -9.429 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.689 -9.073 -10.714 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.884 -8.953 -9.132 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.023 -8.457 -10.608 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.444 -7.034 -11.888 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.809 -6.333 -11.831 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.188 -5.431 -11.160 1.00 0.00 H new ATOM 652 N LEU A 47 -0.716 -7.660 -7.618 1.00 0.00 N ATOM 653 CA LEU A 47 -1.018 -8.359 -6.374 1.00 0.00 C ATOM 654 C LEU A 47 -1.014 -9.870 -6.584 1.00 0.00 C ATOM 655 O LEU A 47 -1.573 -10.373 -7.558 1.00 0.00 O ATOM 656 CB LEU A 47 -2.376 -7.911 -5.831 1.00 0.00 C ATOM 657 CG LEU A 47 -2.560 -8.014 -4.316 1.00 0.00 C ATOM 658 CD1 LEU A 47 -3.977 -7.628 -3.923 1.00 0.00 C ATOM 659 CD2 LEU A 47 -2.236 -9.421 -3.834 1.00 0.00 C ATOM 0 H LEU A 47 -1.399 -7.809 -8.361 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.244 -8.110 -5.648 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.539 -6.875 -6.127 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.152 -8.506 -6.312 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.870 -7.319 -3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.089 -7.707 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.174 -6.602 -4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.685 -8.298 -4.411 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.372 -9.476 -2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.901 -10.134 -4.320 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.202 -9.661 -4.082 1.00 0.00 H new ATOM 671 N HIS A 48 -0.381 -10.588 -5.662 1.00 0.00 N ATOM 672 CA HIS A 48 -0.307 -12.043 -5.744 1.00 0.00 C ATOM 673 C HIS A 48 -1.034 -12.691 -4.570 1.00 0.00 C ATOM 674 O HIS A 48 -0.618 -12.558 -3.418 1.00 0.00 O ATOM 675 CB HIS A 48 1.152 -12.499 -5.771 1.00 0.00 C ATOM 676 CG HIS A 48 1.913 -12.003 -6.961 1.00 0.00 C ATOM 677 ND1 HIS A 48 1.605 -12.364 -8.256 1.00 0.00 N ATOM 678 CD2 HIS A 48 2.974 -11.166 -7.048 1.00 0.00 C ATOM 679 CE1 HIS A 48 2.445 -11.772 -9.087 1.00 0.00 C ATOM 680 NE2 HIS A 48 3.285 -11.040 -8.379 1.00 0.00 N ATOM 0 H HIS A 48 0.088 -10.187 -4.850 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.795 -12.356 -6.667 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.648 -12.155 -4.864 1.00 0.00 H new ATOM 0 HB3 HIS A 48 1.184 -13.588 -5.758 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.481 -10.687 -6.224 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.444 -11.870 -10.163 1.00 0.00 H new ATOM 0 HE2 HIS A 48 4.042 -10.473 -8.759 1.00 0.00 H new ATOM 689 N LEU A 49 -2.122 -13.393 -4.868 1.00 0.00 N ATOM 690 CA LEU A 49 -2.908 -14.062 -3.837 1.00 0.00 C ATOM 691 C LEU A 49 -2.754 -15.576 -3.932 1.00 0.00 C ATOM 692 O LEU A 49 -2.190 -16.211 -3.040 1.00 0.00 O ATOM 693 CB LEU A 49 -4.383 -13.679 -3.964 1.00 0.00 C ATOM 694 CG LEU A 49 -4.675 -12.193 -4.175 1.00 0.00 C ATOM 695 CD1 LEU A 49 -6.006 -12.006 -4.887 1.00 0.00 C ATOM 696 CD2 LEU A 49 -4.672 -11.454 -2.844 1.00 0.00 C ATOM 0 H LEU A 49 -2.480 -13.514 -5.815 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.537 -13.738 -2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.811 -14.235 -4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.902 -14.006 -3.063 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.888 -11.774 -4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.197 -10.942 -5.028 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.972 -12.501 -5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.804 -12.441 -4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.882 -10.398 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.437 -11.876 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.695 -11.559 -2.372 1.00 0.00 H new ATOM 789 N ALA A 54 -4.367 -12.323 -11.148 1.00 0.00 N ATOM 790 CA ALA A 54 -3.707 -11.243 -10.425 1.00 0.00 C ATOM 791 C ALA A 54 -4.255 -9.884 -10.849 1.00 0.00 C ATOM 792 O ALA A 54 -4.362 -9.590 -12.040 1.00 0.00 O ATOM 793 CB ALA A 54 -2.203 -11.300 -10.648 1.00 0.00 C ATOM 0 HA ALA A 54 -3.911 -11.373 -9.362 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.723 -10.488 -10.102 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.818 -12.255 -10.290 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.989 -11.198 -11.712 1.00 0.00 H new ATOM 799 N VAL A 55 -4.601 -9.059 -9.866 1.00 0.00 N ATOM 800 CA VAL A 55 -5.138 -7.730 -10.137 1.00 0.00 C ATOM 801 C VAL A 55 -4.018 -6.716 -10.338 1.00 0.00 C ATOM 802 O VAL A 55 -3.146 -6.561 -9.483 1.00 0.00 O ATOM 803 CB VAL A 55 -6.052 -7.251 -8.995 1.00 0.00 C ATOM 804 CG1 VAL A 55 -6.594 -5.860 -9.292 1.00 0.00 C ATOM 805 CG2 VAL A 55 -7.188 -8.238 -8.771 1.00 0.00 C ATOM 0 H VAL A 55 -4.519 -9.287 -8.875 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.724 -7.805 -11.053 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.462 -7.198 -8.080 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.238 -5.538 -8.474 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.764 -5.161 -9.397 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.168 -5.883 -10.218 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.824 -7.883 -7.960 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.778 -8.326 -9.683 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.777 -9.213 -8.509 1.00 0.00 H new ATOM 815 N ARG A 56 -4.049 -6.025 -11.473 1.00 0.00 N ATOM 816 CA ARG A 56 -3.036 -5.025 -11.787 1.00 0.00 C ATOM 817 C ARG A 56 -3.610 -3.615 -11.671 1.00 0.00 C ATOM 818 O ARG A 56 -4.605 -3.285 -12.316 1.00 0.00 O ATOM 819 CB ARG A 56 -2.487 -5.249 -13.196 1.00 0.00 C ATOM 820 CG ARG A 56 -1.798 -6.592 -13.375 1.00 0.00 C ATOM 821 CD ARG A 56 -1.800 -7.029 -14.832 1.00 0.00 C ATOM 822 NE ARG A 56 -0.802 -6.311 -15.620 1.00 0.00 N ATOM 823 CZ ARG A 56 0.471 -6.681 -15.708 1.00 0.00 C ATOM 824 NH1 ARG A 56 0.898 -7.756 -15.059 1.00 0.00 N ATOM 825 NH2 ARG A 56 1.319 -5.976 -16.445 1.00 0.00 N ATOM 0 H ARG A 56 -4.765 -6.140 -12.190 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.224 -5.129 -11.068 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.305 -5.172 -13.912 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.780 -4.453 -13.432 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.771 -6.526 -13.015 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.301 -7.344 -12.768 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.605 -8.100 -14.890 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.789 -6.861 -15.259 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.099 -5.480 -16.131 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.249 -8.300 -14.491 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.876 -8.038 -15.128 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.994 -5.149 -16.945 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.296 -6.261 -16.512 1.00 0.00 H new ATOM 839 N TRP A 57 -2.976 -2.791 -10.845 1.00 0.00 N ATOM 840 CA TRP A 57 -3.424 -1.417 -10.644 1.00 0.00 C ATOM 841 C TRP A 57 -2.373 -0.425 -11.132 1.00 0.00 C ATOM 842 O TRP A 57 -1.261 -0.355 -10.608 1.00 0.00 O ATOM 843 CB TRP A 57 -3.730 -1.169 -9.166 1.00 0.00 C ATOM 844 CG TRP A 57 -4.955 -1.886 -8.685 1.00 0.00 C ATOM 845 CD1 TRP A 57 -6.249 -1.619 -9.032 1.00 0.00 C ATOM 846 CD2 TRP A 57 -5.001 -2.985 -7.769 1.00 0.00 C ATOM 847 NE1 TRP A 57 -7.097 -2.486 -8.386 1.00 0.00 N ATOM 848 CE2 TRP A 57 -6.356 -3.335 -7.606 1.00 0.00 C ATOM 849 CE3 TRP A 57 -4.030 -3.709 -7.073 1.00 0.00 C ATOM 850 CZ2 TRP A 57 -6.761 -4.375 -6.775 1.00 0.00 C ATOM 851 CZ3 TRP A 57 -4.434 -4.741 -6.247 1.00 0.00 C ATOM 852 CH2 TRP A 57 -5.789 -5.067 -6.104 1.00 0.00 C ATOM 0 H TRP A 57 -2.151 -3.049 -10.304 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.334 -1.269 -11.225 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.875 -1.484 -8.568 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.857 -0.099 -9.003 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -6.560 -0.841 -9.714 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -8.113 -2.496 -8.473 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -2.983 -3.467 -7.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -7.805 -4.627 -6.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.692 -5.306 -5.702 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -6.072 -5.880 -5.452 1.00 0.00 H new ATOM 863 N PRO A 58 -2.731 0.361 -12.158 1.00 0.00 N ATOM 864 CA PRO A 58 -1.832 1.363 -12.738 1.00 0.00 C ATOM 865 C PRO A 58 -1.589 2.538 -11.796 1.00 0.00 C ATOM 866 O PRO A 58 -2.516 3.033 -11.154 1.00 0.00 O ATOM 867 CB PRO A 58 -2.580 1.828 -13.990 1.00 0.00 C ATOM 868 CG PRO A 58 -4.016 1.562 -13.694 1.00 0.00 C ATOM 869 CD PRO A 58 -4.040 0.331 -12.832 1.00 0.00 C ATOM 0 HA PRO A 58 -0.843 0.953 -12.943 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.405 2.886 -14.185 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.250 1.282 -14.874 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -4.471 2.408 -13.179 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -4.581 1.406 -14.613 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.861 0.358 -12.116 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.165 -0.574 -13.427 1.00 0.00 H new ATOM 877 N TYR A 59 -0.338 2.978 -11.718 1.00 0.00 N ATOM 878 CA TYR A 59 0.026 4.094 -10.853 1.00 0.00 C ATOM 879 C TYR A 59 -0.566 5.401 -11.370 1.00 0.00 C ATOM 880 O TYR A 59 -1.142 6.180 -10.610 1.00 0.00 O ATOM 881 CB TYR A 59 1.548 4.214 -10.755 1.00 0.00 C ATOM 882 CG TYR A 59 2.238 2.910 -10.425 1.00 0.00 C ATOM 883 CD1 TYR A 59 1.839 2.147 -9.334 1.00 0.00 C ATOM 884 CD2 TYR A 59 3.290 2.441 -11.202 1.00 0.00 C ATOM 885 CE1 TYR A 59 2.467 0.955 -9.028 1.00 0.00 C ATOM 886 CE2 TYR A 59 3.923 1.250 -10.905 1.00 0.00 C ATOM 887 CZ TYR A 59 3.508 0.510 -9.817 1.00 0.00 C ATOM 888 OH TYR A 59 4.137 -0.676 -9.516 1.00 0.00 O ATOM 0 H TYR A 59 0.440 2.579 -12.243 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.382 3.900 -9.861 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.936 4.591 -11.701 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.798 4.951 -9.992 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.024 2.492 -8.715 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.619 3.018 -12.054 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.145 0.375 -8.176 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.738 0.900 -11.521 1.00 0.00 H new ATOM 0 HH TYR A 59 4.699 -0.949 -10.271 1.00 0.00 H new ATOM 898 N LEU A 60 -0.420 5.635 -12.670 1.00 0.00 N ATOM 899 CA LEU A 60 -0.941 6.848 -13.292 1.00 0.00 C ATOM 900 C LEU A 60 -2.407 7.061 -12.927 1.00 0.00 C ATOM 901 O LEU A 60 -2.904 8.188 -12.945 1.00 0.00 O ATOM 902 CB LEU A 60 -0.788 6.771 -14.812 1.00 0.00 C ATOM 903 CG LEU A 60 -1.128 5.425 -15.454 1.00 0.00 C ATOM 904 CD1 LEU A 60 -1.696 5.628 -16.850 1.00 0.00 C ATOM 905 CD2 LEU A 60 0.102 4.531 -15.501 1.00 0.00 C ATOM 0 H LEU A 60 0.054 5.001 -13.313 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.366 7.695 -12.917 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.423 7.535 -15.260 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.242 7.023 -15.067 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.886 4.934 -14.844 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.932 4.660 -17.291 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.603 6.230 -16.790 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.961 6.140 -17.471 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.158 3.578 -15.961 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.882 5.016 -16.088 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.465 4.358 -14.488 1.00 0.00 H new ATOM 917 N CYS A 61 -3.092 5.973 -12.594 1.00 0.00 N ATOM 918 CA CYS A 61 -4.501 6.040 -12.223 1.00 0.00 C ATOM 919 C CYS A 61 -4.672 5.916 -10.713 1.00 0.00 C ATOM 920 O CYS A 61 -5.602 5.265 -10.234 1.00 0.00 O ATOM 921 CB CYS A 61 -5.290 4.938 -12.931 1.00 0.00 C ATOM 922 SG CYS A 61 -4.690 4.552 -14.593 1.00 0.00 S ATOM 0 H CYS A 61 -2.695 5.034 -12.573 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.888 7.010 -12.535 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.254 4.033 -12.324 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.336 5.238 -12.994 1.00 0.00 H new ATOM 0 HG CYS A 61 -5.419 3.607 -15.109 1.00 0.00 H new ATOM 928 N LEU A 62 -3.768 6.541 -9.967 1.00 0.00 N ATOM 929 CA LEU A 62 -3.818 6.499 -8.509 1.00 0.00 C ATOM 930 C LEU A 62 -4.202 7.860 -7.938 1.00 0.00 C ATOM 931 O LEU A 62 -3.387 8.782 -7.903 1.00 0.00 O ATOM 932 CB LEU A 62 -2.465 6.060 -7.946 1.00 0.00 C ATOM 933 CG LEU A 62 -2.135 4.572 -8.075 1.00 0.00 C ATOM 934 CD1 LEU A 62 -0.733 4.290 -7.557 1.00 0.00 C ATOM 935 CD2 LEU A 62 -3.160 3.732 -7.327 1.00 0.00 C ATOM 0 H LEU A 62 -2.992 7.083 -10.347 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.579 5.775 -8.216 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.683 6.630 -8.448 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.428 6.330 -6.891 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.172 4.301 -9.130 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.515 3.227 -7.657 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.009 4.864 -8.135 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.668 4.577 -6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.910 2.676 -7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.154 4.005 -6.272 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.151 3.912 -7.743 1.00 0.00 H new ATOM 947 N ARG A 63 -5.448 7.977 -7.490 1.00 0.00 N ATOM 948 CA ARG A 63 -5.940 9.225 -6.919 1.00 0.00 C ATOM 949 C ARG A 63 -5.124 9.620 -5.691 1.00 0.00 C ATOM 950 O ARG A 63 -4.781 10.788 -5.510 1.00 0.00 O ATOM 951 CB ARG A 63 -7.416 9.091 -6.542 1.00 0.00 C ATOM 952 CG ARG A 63 -8.077 10.414 -6.188 1.00 0.00 C ATOM 953 CD ARG A 63 -9.593 10.312 -6.247 1.00 0.00 C ATOM 954 NE ARG A 63 -10.223 11.619 -6.416 1.00 0.00 N ATOM 955 CZ ARG A 63 -11.434 11.789 -6.936 1.00 0.00 C ATOM 956 NH1 ARG A 63 -12.141 10.741 -7.333 1.00 0.00 N ATOM 957 NH2 ARG A 63 -11.939 13.010 -7.057 1.00 0.00 N ATOM 0 H ARG A 63 -6.135 7.223 -7.511 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.834 10.006 -7.671 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.955 8.636 -7.373 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.506 8.412 -5.694 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.770 10.719 -5.188 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.736 11.188 -6.876 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.881 9.661 -7.073 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.961 9.848 -5.332 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.705 12.446 -6.119 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.756 9.801 -7.240 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -13.070 10.874 -7.732 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.398 13.818 -6.751 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.869 13.140 -7.456 1.00 0.00 H new ATOM 971 N ARG A 64 -4.818 8.638 -4.849 1.00 0.00 N ATOM 972 CA ARG A 64 -4.045 8.883 -3.638 1.00 0.00 C ATOM 973 C ARG A 64 -3.696 7.571 -2.941 1.00 0.00 C ATOM 974 O ARG A 64 -4.370 6.558 -3.128 1.00 0.00 O ATOM 975 CB ARG A 64 -4.827 9.787 -2.683 1.00 0.00 C ATOM 976 CG ARG A 64 -6.222 9.275 -2.363 1.00 0.00 C ATOM 977 CD ARG A 64 -7.182 10.419 -2.076 1.00 0.00 C ATOM 978 NE ARG A 64 -8.457 9.942 -1.547 1.00 0.00 N ATOM 979 CZ ARG A 64 -8.670 9.688 -0.260 1.00 0.00 C ATOM 980 NH1 ARG A 64 -7.697 9.863 0.623 1.00 0.00 N ATOM 981 NH2 ARG A 64 -9.858 9.257 0.144 1.00 0.00 N ATOM 0 H ARG A 64 -5.094 7.665 -4.984 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.118 9.381 -3.923 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.266 9.892 -1.754 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.906 10.782 -3.121 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.596 8.686 -3.201 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.178 8.610 -1.500 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.726 11.104 -1.361 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.358 10.984 -2.992 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.226 9.796 -2.201 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.782 10.193 0.315 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.863 9.667 1.610 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.608 9.120 -0.533 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.021 9.062 1.132 1.00 0.00 H new ATOM 995 N TYR A 65 -2.638 7.597 -2.138 1.00 0.00 N ATOM 996 CA TYR A 65 -2.197 6.409 -1.416 1.00 0.00 C ATOM 997 C TYR A 65 -1.483 6.792 -0.123 1.00 0.00 C ATOM 998 O TYR A 65 -0.761 7.787 -0.070 1.00 0.00 O ATOM 999 CB TYR A 65 -1.270 5.568 -2.294 1.00 0.00 C ATOM 1000 CG TYR A 65 -0.123 6.352 -2.889 1.00 0.00 C ATOM 1001 CD1 TYR A 65 -0.299 7.115 -4.037 1.00 0.00 C ATOM 1002 CD2 TYR A 65 1.137 6.330 -2.304 1.00 0.00 C ATOM 1003 CE1 TYR A 65 0.747 7.833 -4.585 1.00 0.00 C ATOM 1004 CE2 TYR A 65 2.188 7.046 -2.844 1.00 0.00 C ATOM 1005 CZ TYR A 65 1.988 7.795 -3.984 1.00 0.00 C ATOM 1006 OH TYR A 65 3.033 8.509 -4.526 1.00 0.00 O ATOM 0 H TYR A 65 -2.070 8.427 -1.971 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.079 5.820 -1.163 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.868 4.746 -1.701 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.852 5.123 -3.101 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.270 7.147 -4.509 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.298 5.743 -1.412 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.594 8.420 -5.478 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.161 7.019 -2.376 1.00 0.00 H new ATOM 0 HH TYR A 65 3.273 8.128 -5.396 1.00 0.00 H new ATOM 1016 N GLY A 66 -1.691 5.992 0.919 1.00 0.00 N ATOM 1017 CA GLY A 66 -1.060 6.262 2.198 1.00 0.00 C ATOM 1018 C GLY A 66 -0.467 5.016 2.826 1.00 0.00 C ATOM 1019 O GLY A 66 -0.651 3.909 2.320 1.00 0.00 O ATOM 0 H GLY A 66 -2.285 5.163 0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.275 7.006 2.063 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.794 6.694 2.878 1.00 0.00 H new ATOM 1023 N TYR A 67 0.249 5.196 3.931 1.00 0.00 N ATOM 1024 CA TYR A 67 0.875 4.078 4.626 1.00 0.00 C ATOM 1025 C TYR A 67 0.919 4.329 6.131 1.00 0.00 C ATOM 1026 O TYR A 67 1.338 5.395 6.582 1.00 0.00 O ATOM 1027 CB TYR A 67 2.290 3.848 4.094 1.00 0.00 C ATOM 1028 CG TYR A 67 3.345 4.664 4.806 1.00 0.00 C ATOM 1029 CD1 TYR A 67 3.425 6.040 4.627 1.00 0.00 C ATOM 1030 CD2 TYR A 67 4.262 4.060 5.657 1.00 0.00 C ATOM 1031 CE1 TYR A 67 4.388 6.789 5.275 1.00 0.00 C ATOM 1032 CE2 TYR A 67 5.227 4.802 6.310 1.00 0.00 C ATOM 1033 CZ TYR A 67 5.286 6.166 6.116 1.00 0.00 C ATOM 1034 OH TYR A 67 6.247 6.909 6.763 1.00 0.00 O ATOM 0 H TYR A 67 0.410 6.105 4.364 1.00 0.00 H new ATOM 0 HA TYR A 67 0.276 3.186 4.442 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.537 2.790 4.187 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.313 4.088 3.031 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.723 6.532 3.970 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.220 2.992 5.811 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.437 7.857 5.124 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.932 4.316 6.969 1.00 0.00 H new ATOM 0 HH TYR A 67 6.798 6.319 7.318 1.00 0.00 H new ATOM 1044 N ASP A 68 0.484 3.338 6.901 1.00 0.00 N ATOM 1045 CA ASP A 68 0.475 3.448 8.356 1.00 0.00 C ATOM 1046 C ASP A 68 1.559 2.570 8.974 1.00 0.00 C ATOM 1047 O ASP A 68 2.363 1.966 8.264 1.00 0.00 O ATOM 1048 CB ASP A 68 -0.895 3.056 8.910 1.00 0.00 C ATOM 1049 CG ASP A 68 -1.828 4.243 9.041 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -1.328 5.383 9.145 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -3.059 4.033 9.039 1.00 0.00 O ATOM 0 H ASP A 68 0.133 2.450 6.543 1.00 0.00 H new ATOM 0 HA ASP A 68 0.680 4.486 8.619 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.349 2.312 8.256 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.768 2.588 9.886 1.00 0.00 H new ATOM 1056 N SER A 69 1.574 2.504 10.301 1.00 0.00 N ATOM 1057 CA SER A 69 2.562 1.703 11.016 1.00 0.00 C ATOM 1058 C SER A 69 2.559 0.263 10.513 1.00 0.00 C ATOM 1059 O SER A 69 3.561 -0.226 9.993 1.00 0.00 O ATOM 1060 CB SER A 69 2.281 1.732 12.519 1.00 0.00 C ATOM 1061 OG SER A 69 3.423 1.336 13.259 1.00 0.00 O ATOM 0 H SER A 69 0.914 2.995 10.903 1.00 0.00 H new ATOM 0 HA SER A 69 3.547 2.132 10.830 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.981 2.737 12.817 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.447 1.069 12.749 1.00 0.00 H new ATOM 0 HG SER A 69 3.529 0.363 13.202 1.00 0.00 H new ATOM 1067 N ASN A 70 1.425 -0.411 10.673 1.00 0.00 N ATOM 1068 CA ASN A 70 1.291 -1.796 10.237 1.00 0.00 C ATOM 1069 C ASN A 70 0.089 -1.961 9.311 1.00 0.00 C ATOM 1070 O ASN A 70 -0.688 -2.907 9.447 1.00 0.00 O ATOM 1071 CB ASN A 70 1.148 -2.722 11.446 1.00 0.00 C ATOM 1072 CG ASN A 70 2.399 -2.750 12.304 1.00 0.00 C ATOM 1073 OD1 ASN A 70 3.014 -1.714 12.558 1.00 0.00 O ATOM 1074 ND2 ASN A 70 2.781 -3.939 12.755 1.00 0.00 N ATOM 0 H ASN A 70 0.586 -0.021 11.101 1.00 0.00 H new ATOM 0 HA ASN A 70 2.192 -2.066 9.686 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.302 -2.396 12.052 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.924 -3.732 11.102 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.615 -4.020 13.337 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.241 -4.771 12.519 1.00 0.00 H new ATOM 1081 N LEU A 71 -0.057 -1.035 8.370 1.00 0.00 N ATOM 1082 CA LEU A 71 -1.164 -1.077 7.421 1.00 0.00 C ATOM 1083 C LEU A 71 -0.816 -0.318 6.145 1.00 0.00 C ATOM 1084 O LEU A 71 -0.071 0.662 6.176 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.426 -0.486 8.052 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.662 -0.432 7.154 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -4.336 -1.793 7.089 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -4.638 0.625 7.654 1.00 0.00 C ATOM 0 H LEU A 71 0.577 -0.246 8.244 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.349 -2.120 7.163 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.672 -1.069 8.940 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.201 0.526 8.388 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.344 -0.159 6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.214 -1.734 6.445 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.638 -2.526 6.685 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.641 -2.096 8.091 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.512 0.650 7.003 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.949 0.382 8.670 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.152 1.601 7.647 1.00 0.00 H new ATOM 1100 N PHE A 72 -1.361 -0.775 5.023 1.00 0.00 N ATOM 1101 CA PHE A 72 -1.110 -0.138 3.735 1.00 0.00 C ATOM 1102 C PHE A 72 -2.376 -0.111 2.885 1.00 0.00 C ATOM 1103 O PHE A 72 -2.879 -1.154 2.467 1.00 0.00 O ATOM 1104 CB PHE A 72 0.004 -0.874 2.987 1.00 0.00 C ATOM 1105 CG PHE A 72 0.150 -0.445 1.555 1.00 0.00 C ATOM 1106 CD1 PHE A 72 0.514 0.855 1.241 1.00 0.00 C ATOM 1107 CD2 PHE A 72 -0.077 -1.341 0.523 1.00 0.00 C ATOM 1108 CE1 PHE A 72 0.647 1.252 -0.075 1.00 0.00 C ATOM 1109 CE2 PHE A 72 0.055 -0.949 -0.796 1.00 0.00 C ATOM 1110 CZ PHE A 72 0.419 0.349 -1.095 1.00 0.00 C ATOM 0 H PHE A 72 -1.980 -1.585 4.979 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.797 0.889 3.921 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.949 -0.710 3.505 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.195 -1.945 3.018 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.696 1.565 2.034 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.360 -2.358 0.752 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.929 2.268 -0.307 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.126 -1.657 -1.591 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.525 0.658 -2.125 1.00 0.00 H new ATOM 1120 N SER A 73 -2.888 1.090 2.635 1.00 0.00 N ATOM 1121 CA SER A 73 -4.098 1.255 1.839 1.00 0.00 C ATOM 1122 C SER A 73 -3.867 2.240 0.696 1.00 0.00 C ATOM 1123 O SER A 73 -2.927 3.034 0.726 1.00 0.00 O ATOM 1124 CB SER A 73 -5.251 1.740 2.720 1.00 0.00 C ATOM 1125 OG SER A 73 -6.457 1.827 1.980 1.00 0.00 O ATOM 0 H SER A 73 -2.483 1.963 2.973 1.00 0.00 H new ATOM 0 HA SER A 73 -4.358 0.286 1.413 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.384 1.057 3.559 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.007 2.716 3.139 1.00 0.00 H new ATOM 0 HG SER A 73 -6.491 1.101 1.323 1.00 0.00 H new ATOM 1131 N PHE A 74 -4.733 2.182 -0.311 1.00 0.00 N ATOM 1132 CA PHE A 74 -4.624 3.067 -1.464 1.00 0.00 C ATOM 1133 C PHE A 74 -5.944 3.130 -2.227 1.00 0.00 C ATOM 1134 O PHE A 74 -6.803 2.262 -2.075 1.00 0.00 O ATOM 1135 CB PHE A 74 -3.506 2.591 -2.395 1.00 0.00 C ATOM 1136 CG PHE A 74 -3.770 1.247 -3.010 1.00 0.00 C ATOM 1137 CD1 PHE A 74 -4.562 1.130 -4.140 1.00 0.00 C ATOM 1138 CD2 PHE A 74 -3.224 0.099 -2.458 1.00 0.00 C ATOM 1139 CE1 PHE A 74 -4.807 -0.106 -4.707 1.00 0.00 C ATOM 1140 CE2 PHE A 74 -3.464 -1.140 -3.021 1.00 0.00 C ATOM 1141 CZ PHE A 74 -4.256 -1.243 -4.148 1.00 0.00 C ATOM 0 H PHE A 74 -5.518 1.531 -0.351 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.385 4.067 -1.102 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.369 3.325 -3.189 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.572 2.548 -1.835 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.993 2.015 -4.583 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -2.603 0.174 -1.577 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.429 -0.183 -5.587 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -3.033 -2.027 -2.580 1.00 0.00 H new ATOM 0 HZ PHE A 74 -4.444 -2.210 -4.591 1.00 0.00 H new ATOM 1151 N GLU A 75 -6.097 4.165 -3.048 1.00 0.00 N ATOM 1152 CA GLU A 75 -7.313 4.343 -3.833 1.00 0.00 C ATOM 1153 C GLU A 75 -7.022 4.202 -5.325 1.00 0.00 C ATOM 1154 O GLU A 75 -6.004 4.687 -5.818 1.00 0.00 O ATOM 1155 CB GLU A 75 -7.934 5.712 -3.550 1.00 0.00 C ATOM 1156 CG GLU A 75 -9.426 5.774 -3.834 1.00 0.00 C ATOM 1157 CD GLU A 75 -10.135 6.821 -2.997 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -9.903 8.025 -3.231 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -10.923 6.435 -2.108 1.00 0.00 O ATOM 0 H GLU A 75 -5.395 4.892 -3.186 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.020 3.565 -3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.760 5.972 -2.506 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.426 6.464 -4.154 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.582 5.992 -4.891 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.870 4.798 -3.641 1.00 0.00 H new ATOM 1166 N SER A 76 -7.924 3.535 -6.037 1.00 0.00 N ATOM 1167 CA SER A 76 -7.763 3.326 -7.471 1.00 0.00 C ATOM 1168 C SER A 76 -8.891 3.999 -8.248 1.00 0.00 C ATOM 1169 O SER A 76 -10.025 4.075 -7.777 1.00 0.00 O ATOM 1170 CB SER A 76 -7.731 1.830 -7.790 1.00 0.00 C ATOM 1171 OG SER A 76 -9.008 1.243 -7.612 1.00 0.00 O ATOM 0 H SER A 76 -8.774 3.130 -5.644 1.00 0.00 H new ATOM 0 HA SER A 76 -6.817 3.775 -7.774 1.00 0.00 H new ATOM 0 HB2 SER A 76 -7.399 1.681 -8.817 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.006 1.333 -7.146 1.00 0.00 H new ATOM 0 HG SER A 76 -9.002 0.332 -7.973 1.00 0.00 H new ATOM 1177 N GLY A 77 -8.570 4.486 -9.443 1.00 0.00 N ATOM 1178 CA GLY A 77 -9.566 5.146 -10.267 1.00 0.00 C ATOM 1179 C GLY A 77 -10.826 4.319 -10.428 1.00 0.00 C ATOM 1180 O GLY A 77 -10.943 3.236 -9.854 1.00 0.00 O ATOM 0 H GLY A 77 -7.638 4.435 -9.855 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.821 6.108 -9.823 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.142 5.351 -11.250 1.00 0.00 H new ATOM 1184 N ARG A 78 -11.771 4.830 -11.210 1.00 0.00 N ATOM 1185 CA ARG A 78 -13.030 4.132 -11.442 1.00 0.00 C ATOM 1186 C ARG A 78 -12.974 3.326 -12.737 1.00 0.00 C ATOM 1187 O ARG A 78 -13.636 2.296 -12.867 1.00 0.00 O ATOM 1188 CB ARG A 78 -14.188 5.131 -11.500 1.00 0.00 C ATOM 1189 CG ARG A 78 -14.099 6.100 -12.667 1.00 0.00 C ATOM 1190 CD ARG A 78 -15.478 6.535 -13.137 1.00 0.00 C ATOM 1191 NE ARG A 78 -15.974 7.685 -12.386 1.00 0.00 N ATOM 1192 CZ ARG A 78 -15.805 8.944 -12.774 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -15.157 9.214 -13.898 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -16.286 9.937 -12.036 1.00 0.00 N ATOM 0 H ARG A 78 -11.689 5.724 -11.693 1.00 0.00 H new ATOM 0 HA ARG A 78 -13.194 3.444 -10.613 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -15.127 4.582 -11.566 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -14.215 5.698 -10.569 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.521 6.976 -12.371 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.564 5.629 -13.492 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -15.438 6.784 -14.197 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -16.176 5.704 -13.031 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.478 7.512 -11.516 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.786 8.454 -14.468 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.029 10.182 -14.193 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -16.786 9.733 -11.170 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.156 10.904 -12.334 1.00 0.00 H new ATOM 1208 N ARG A 79 -12.181 3.803 -13.690 1.00 0.00 N ATOM 1209 CA ARG A 79 -12.040 3.128 -14.975 1.00 0.00 C ATOM 1210 C ARG A 79 -11.001 2.014 -14.893 1.00 0.00 C ATOM 1211 O ARG A 79 -9.901 2.135 -15.435 1.00 0.00 O ATOM 1212 CB ARG A 79 -11.644 4.130 -16.061 1.00 0.00 C ATOM 1213 CG ARG A 79 -10.499 5.044 -15.658 1.00 0.00 C ATOM 1214 CD ARG A 79 -10.030 5.899 -16.825 1.00 0.00 C ATOM 1215 NE ARG A 79 -10.906 7.046 -17.050 1.00 0.00 N ATOM 1216 CZ ARG A 79 -10.953 7.722 -18.193 1.00 0.00 C ATOM 1217 NH1 ARG A 79 -10.179 7.367 -19.209 1.00 0.00 N ATOM 1218 NH2 ARG A 79 -11.776 8.755 -18.321 1.00 0.00 N ATOM 0 H ARG A 79 -11.626 4.654 -13.597 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.002 2.686 -15.232 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -11.362 3.584 -16.962 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -12.512 4.739 -16.315 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.818 5.688 -14.839 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.667 4.445 -15.287 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -9.016 6.250 -16.633 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -9.991 5.290 -17.728 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.515 7.344 -16.288 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.545 6.573 -19.114 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.217 7.888 -20.085 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.373 9.031 -17.542 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.811 9.273 -19.199 1.00 0.00 H new ATOM 1232 N CYS A 80 -11.356 0.930 -14.212 1.00 0.00 N ATOM 1233 CA CYS A 80 -10.453 -0.206 -14.057 1.00 0.00 C ATOM 1234 C CYS A 80 -11.233 -1.483 -13.762 1.00 0.00 C ATOM 1235 O CYS A 80 -12.448 -1.449 -13.569 1.00 0.00 O ATOM 1236 CB CYS A 80 -9.448 0.064 -12.936 1.00 0.00 C ATOM 1237 SG CYS A 80 -10.182 0.765 -11.440 1.00 0.00 S ATOM 0 H CYS A 80 -12.262 0.813 -13.758 1.00 0.00 H new ATOM 0 HA CYS A 80 -9.912 -0.340 -14.994 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -8.947 -0.869 -12.679 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -8.682 0.746 -13.306 1.00 0.00 H new ATOM 0 HG CYS A 80 -10.004 2.053 -11.432 1.00 0.00 H new ATOM 1243 N GLN A 81 -10.525 -2.608 -13.730 1.00 0.00 N ATOM 1244 CA GLN A 81 -11.152 -3.897 -13.461 1.00 0.00 C ATOM 1245 C GLN A 81 -11.952 -3.852 -12.163 1.00 0.00 C ATOM 1246 O GLN A 81 -13.175 -3.999 -12.169 1.00 0.00 O ATOM 1247 CB GLN A 81 -10.092 -4.996 -13.383 1.00 0.00 C ATOM 1248 CG GLN A 81 -10.653 -6.357 -13.002 1.00 0.00 C ATOM 1249 CD GLN A 81 -10.738 -6.554 -11.501 1.00 0.00 C ATOM 1250 OE1 GLN A 81 -9.585 -6.644 -10.850 1.00 0.00 O flip ATOM 1251 NE2 GLN A 81 -11.829 -6.625 -10.934 1.00 0.00 N flip ATOM 0 H GLN A 81 -9.518 -2.653 -13.887 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.836 -4.119 -14.280 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.592 -5.076 -14.348 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.335 -4.708 -12.654 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.646 -6.471 -13.436 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.026 -7.138 -13.432 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.691 -6.551 -11.475 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.871 -6.758 -9.924 1.00 0.00 H new ATOM 1260 N THR A 82 -11.254 -3.649 -11.050 1.00 0.00 N ATOM 1261 CA THR A 82 -11.899 -3.587 -9.744 1.00 0.00 C ATOM 1262 C THR A 82 -12.876 -2.420 -9.669 1.00 0.00 C ATOM 1263 O THR A 82 -13.876 -2.480 -8.955 1.00 0.00 O ATOM 1264 CB THR A 82 -10.864 -3.449 -8.612 1.00 0.00 C ATOM 1265 OG1 THR A 82 -9.911 -2.432 -8.941 1.00 0.00 O ATOM 1266 CG2 THR A 82 -10.143 -4.768 -8.374 1.00 0.00 C ATOM 0 H THR A 82 -10.242 -3.525 -11.027 1.00 0.00 H new ATOM 0 HA THR A 82 -12.444 -4.522 -9.616 1.00 0.00 H new ATOM 0 HB THR A 82 -11.391 -3.171 -7.699 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.822 -1.811 -8.188 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.417 -4.646 -7.570 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.867 -5.534 -8.096 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.628 -5.071 -9.286 1.00 0.00 H new ATOM 1274 N GLY A 83 -12.580 -1.357 -10.411 1.00 0.00 N ATOM 1275 CA GLY A 83 -13.443 -0.190 -10.414 1.00 0.00 C ATOM 1276 C GLY A 83 -13.263 0.667 -9.177 1.00 0.00 C ATOM 1277 O GLY A 83 -12.577 0.271 -8.235 1.00 0.00 O ATOM 0 H GLY A 83 -11.758 -1.283 -11.010 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.236 0.409 -11.301 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.483 -0.511 -10.482 1.00 0.00 H new ATOM 1281 N GLN A 84 -13.879 1.845 -9.180 1.00 0.00 N ATOM 1282 CA GLN A 84 -13.781 2.761 -8.050 1.00 0.00 C ATOM 1283 C GLN A 84 -13.919 2.012 -6.729 1.00 0.00 C ATOM 1284 O GLN A 84 -14.865 1.251 -6.531 1.00 0.00 O ATOM 1285 CB GLN A 84 -14.855 3.845 -8.150 1.00 0.00 C ATOM 1286 CG GLN A 84 -14.684 4.967 -7.138 1.00 0.00 C ATOM 1287 CD GLN A 84 -15.947 5.786 -6.957 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -16.854 5.395 -6.222 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -16.011 6.931 -7.627 1.00 0.00 N ATOM 0 H GLN A 84 -14.451 2.187 -9.952 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.798 3.230 -8.080 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -14.840 4.268 -9.155 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.835 3.388 -8.011 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -14.389 4.544 -6.178 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.874 5.621 -7.460 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -15.235 7.216 -8.225 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -16.836 7.525 -7.543 1.00 0.00 H new ATOM 1298 N GLY A 85 -12.967 2.233 -5.826 1.00 0.00 N ATOM 1299 CA GLY A 85 -13.001 1.571 -4.535 1.00 0.00 C ATOM 1300 C GLY A 85 -11.667 1.631 -3.818 1.00 0.00 C ATOM 1301 O GLY A 85 -10.622 1.794 -4.449 1.00 0.00 O ATOM 0 H GLY A 85 -12.174 2.858 -5.966 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.766 2.035 -3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.290 0.529 -4.672 1.00 0.00 H new ATOM 1305 N ILE A 86 -11.702 1.503 -2.496 1.00 0.00 N ATOM 1306 CA ILE A 86 -10.487 1.544 -1.692 1.00 0.00 C ATOM 1307 C ILE A 86 -10.105 0.152 -1.201 1.00 0.00 C ATOM 1308 O ILE A 86 -10.969 -0.665 -0.883 1.00 0.00 O ATOM 1309 CB ILE A 86 -10.646 2.479 -0.479 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -10.997 3.895 -0.940 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -9.372 2.488 0.353 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -11.536 4.775 0.166 1.00 0.00 C ATOM 0 H ILE A 86 -12.559 1.370 -1.959 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.696 1.929 -2.335 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.461 2.108 0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -10.107 4.361 -1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -11.736 3.835 -1.739 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.500 3.153 1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -9.162 1.479 0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -8.540 2.838 -0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.763 5.763 -0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.444 4.331 0.574 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.790 4.865 0.955 1.00 0.00 H new ATOM 1324 N PHE A 87 -8.803 -0.112 -1.141 1.00 0.00 N ATOM 1325 CA PHE A 87 -8.306 -1.405 -0.687 1.00 0.00 C ATOM 1326 C PHE A 87 -7.193 -1.229 0.342 1.00 0.00 C ATOM 1327 O PHE A 87 -6.202 -0.546 0.089 1.00 0.00 O ATOM 1328 CB PHE A 87 -7.793 -2.223 -1.874 1.00 0.00 C ATOM 1329 CG PHE A 87 -8.607 -2.042 -3.123 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -9.798 -2.730 -3.296 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -8.183 -1.183 -4.125 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -10.548 -2.565 -4.445 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -8.929 -1.014 -5.275 1.00 0.00 C ATOM 1334 CZ PHE A 87 -10.114 -1.705 -5.435 1.00 0.00 C ATOM 0 H PHE A 87 -8.074 0.552 -1.401 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.132 -1.939 -0.216 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.760 -1.942 -2.079 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -7.788 -3.279 -1.603 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.143 -3.402 -2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.258 -0.639 -4.005 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.473 -3.108 -4.569 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.586 -0.342 -6.048 1.00 0.00 H new ATOM 0 HZ PHE A 87 -10.700 -1.573 -6.332 1.00 0.00 H new ATOM 1344 N ALA A 88 -7.367 -1.851 1.504 1.00 0.00 N ATOM 1345 CA ALA A 88 -6.378 -1.765 2.571 1.00 0.00 C ATOM 1346 C ALA A 88 -5.822 -3.142 2.917 1.00 0.00 C ATOM 1347 O ALA A 88 -6.535 -4.144 2.855 1.00 0.00 O ATOM 1348 CB ALA A 88 -6.988 -1.115 3.805 1.00 0.00 C ATOM 0 H ALA A 88 -8.183 -2.419 1.730 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.552 -1.147 2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.238 -1.057 4.594 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.330 -0.111 3.556 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.833 -1.711 4.150 1.00 0.00 H new ATOM 1354 N PHE A 89 -4.544 -3.185 3.280 1.00 0.00 N ATOM 1355 CA PHE A 89 -3.892 -4.441 3.633 1.00 0.00 C ATOM 1356 C PHE A 89 -2.937 -4.246 4.807 1.00 0.00 C ATOM 1357 O PHE A 89 -2.094 -3.348 4.795 1.00 0.00 O ATOM 1358 CB PHE A 89 -3.130 -5.001 2.430 1.00 0.00 C ATOM 1359 CG PHE A 89 -3.922 -4.972 1.154 1.00 0.00 C ATOM 1360 CD1 PHE A 89 -3.917 -3.847 0.345 1.00 0.00 C ATOM 1361 CD2 PHE A 89 -4.671 -6.070 0.763 1.00 0.00 C ATOM 1362 CE1 PHE A 89 -4.644 -3.817 -0.830 1.00 0.00 C ATOM 1363 CE2 PHE A 89 -5.399 -6.046 -0.412 1.00 0.00 C ATOM 1364 CZ PHE A 89 -5.386 -4.918 -1.208 1.00 0.00 C ATOM 0 H PHE A 89 -3.940 -2.365 3.337 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.664 -5.152 3.928 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.213 -4.429 2.292 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.836 -6.029 2.643 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.338 -2.983 0.636 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.686 -6.954 1.383 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.632 -2.934 -1.451 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.977 -6.909 -0.707 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.956 -4.897 -2.125 1.00 0.00 H new ATOM 1374 N LYS A 90 -3.076 -5.092 5.822 1.00 0.00 N ATOM 1375 CA LYS A 90 -2.227 -5.016 7.005 1.00 0.00 C ATOM 1376 C LYS A 90 -0.850 -5.610 6.726 1.00 0.00 C ATOM 1377 O LYS A 90 -0.696 -6.829 6.633 1.00 0.00 O ATOM 1378 CB LYS A 90 -2.882 -5.749 8.177 1.00 0.00 C ATOM 1379 CG LYS A 90 -3.777 -4.863 9.025 1.00 0.00 C ATOM 1380 CD LYS A 90 -4.688 -5.684 9.922 1.00 0.00 C ATOM 1381 CE LYS A 90 -5.415 -4.809 10.931 1.00 0.00 C ATOM 1382 NZ LYS A 90 -4.638 -4.655 12.192 1.00 0.00 N ATOM 0 H LYS A 90 -3.770 -5.839 5.849 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.104 -3.965 7.265 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.470 -6.582 7.791 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.103 -6.175 8.809 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.162 -4.203 9.637 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.380 -4.227 8.377 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.416 -6.218 9.311 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.100 -6.436 10.448 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.598 -3.827 10.495 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.389 -5.245 11.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.167 -4.052 12.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.485 -5.590 12.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.719 -4.216 11.982 1.00 0.00 H new ATOM 1396 N CYS A 91 0.148 -4.743 6.594 1.00 0.00 N ATOM 1397 CA CYS A 91 1.513 -5.183 6.326 1.00 0.00 C ATOM 1398 C CYS A 91 2.497 -4.511 7.278 1.00 0.00 C ATOM 1399 O CYS A 91 2.315 -3.356 7.662 1.00 0.00 O ATOM 1400 CB CYS A 91 1.895 -4.875 4.877 1.00 0.00 C ATOM 1401 SG CYS A 91 3.575 -5.376 4.435 1.00 0.00 S ATOM 0 H CYS A 91 0.038 -3.732 6.668 1.00 0.00 H new ATOM 0 HA CYS A 91 1.559 -6.260 6.485 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.191 -5.376 4.212 1.00 0.00 H new ATOM 0 HB3 CYS A 91 1.789 -3.804 4.704 1.00 0.00 H new ATOM 0 HG CYS A 91 3.637 -6.673 4.365 1.00 0.00 H new ATOM 1407 N SER A 92 3.540 -5.244 7.656 1.00 0.00 N ATOM 1408 CA SER A 92 4.551 -4.721 8.568 1.00 0.00 C ATOM 1409 C SER A 92 5.525 -3.806 7.832 1.00 0.00 C ATOM 1410 O SER A 92 5.839 -2.711 8.299 1.00 0.00 O ATOM 1411 CB SER A 92 5.314 -5.870 9.230 1.00 0.00 C ATOM 1412 OG SER A 92 6.004 -6.646 8.267 1.00 0.00 O ATOM 0 H SER A 92 3.707 -6.201 7.345 1.00 0.00 H new ATOM 0 HA SER A 92 4.044 -4.139 9.338 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.023 -5.470 9.955 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.618 -6.503 9.781 1.00 0.00 H new ATOM 0 HG SER A 92 6.485 -7.372 8.716 1.00 0.00 H new ATOM 1418 N ARG A 93 6.000 -4.264 6.678 1.00 0.00 N ATOM 1419 CA ARG A 93 6.940 -3.488 5.877 1.00 0.00 C ATOM 1420 C ARG A 93 6.200 -2.559 4.920 1.00 0.00 C ATOM 1421 O ARG A 93 6.589 -2.407 3.762 1.00 0.00 O ATOM 1422 CB ARG A 93 7.862 -4.420 5.090 1.00 0.00 C ATOM 1423 CG ARG A 93 8.663 -5.369 5.967 1.00 0.00 C ATOM 1424 CD ARG A 93 9.944 -5.815 5.280 1.00 0.00 C ATOM 1425 NE ARG A 93 10.930 -4.741 5.209 1.00 0.00 N ATOM 1426 CZ ARG A 93 11.744 -4.423 6.209 1.00 0.00 C ATOM 1427 NH1 ARG A 93 11.690 -5.095 7.351 1.00 0.00 N ATOM 1428 NH2 ARG A 93 12.616 -3.433 6.068 1.00 0.00 N ATOM 0 H ARG A 93 5.750 -5.168 6.277 1.00 0.00 H new ATOM 0 HA ARG A 93 7.541 -2.880 6.554 1.00 0.00 H new ATOM 0 HB2 ARG A 93 7.263 -5.003 4.390 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.551 -3.819 4.496 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.906 -4.878 6.909 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.056 -6.241 6.210 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.369 -6.662 5.819 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.713 -6.162 4.273 1.00 0.00 H new ATOM 0 HE ARG A 93 10.998 -4.205 4.344 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.022 -5.858 7.463 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.316 -4.849 8.118 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.662 -2.915 5.191 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.240 -3.190 6.837 1.00 0.00 H new ATOM 1442 N ALA A 94 5.131 -1.940 5.411 1.00 0.00 N ATOM 1443 CA ALA A 94 4.338 -1.025 4.600 1.00 0.00 C ATOM 1444 C ALA A 94 5.181 0.149 4.113 1.00 0.00 C ATOM 1445 O ALA A 94 5.228 0.437 2.918 1.00 0.00 O ATOM 1446 CB ALA A 94 3.138 -0.523 5.390 1.00 0.00 C ATOM 0 H ALA A 94 4.794 -2.056 6.367 1.00 0.00 H new ATOM 0 HA ALA A 94 3.982 -1.570 3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.555 0.159 4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.516 -1.369 5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.483 0.000 6.282 1.00 0.00 H new ATOM 1452 N GLU A 95 5.845 0.823 5.047 1.00 0.00 N ATOM 1453 CA GLU A 95 6.685 1.966 4.712 1.00 0.00 C ATOM 1454 C GLU A 95 7.450 1.717 3.415 1.00 0.00 C ATOM 1455 O GLU A 95 7.400 2.526 2.489 1.00 0.00 O ATOM 1456 CB GLU A 95 7.667 2.257 5.849 1.00 0.00 C ATOM 1457 CG GLU A 95 8.616 3.406 5.554 1.00 0.00 C ATOM 1458 CD GLU A 95 9.579 3.674 6.694 1.00 0.00 C ATOM 1459 OE1 GLU A 95 10.482 2.840 6.916 1.00 0.00 O ATOM 1460 OE2 GLU A 95 9.431 4.717 7.364 1.00 0.00 O ATOM 0 H GLU A 95 5.817 0.597 6.041 1.00 0.00 H new ATOM 0 HA GLU A 95 6.037 2.831 4.571 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.104 2.485 6.754 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.250 1.359 6.053 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.182 3.182 4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.038 4.308 5.352 1.00 0.00 H new ATOM 1467 N GLU A 96 8.158 0.593 3.359 1.00 0.00 N ATOM 1468 CA GLU A 96 8.935 0.239 2.177 1.00 0.00 C ATOM 1469 C GLU A 96 8.083 0.344 0.915 1.00 0.00 C ATOM 1470 O GLU A 96 8.458 1.018 -0.045 1.00 0.00 O ATOM 1471 CB GLU A 96 9.493 -1.179 2.312 1.00 0.00 C ATOM 1472 CG GLU A 96 10.558 -1.314 3.388 1.00 0.00 C ATOM 1473 CD GLU A 96 11.943 -0.954 2.885 1.00 0.00 C ATOM 1474 OE1 GLU A 96 12.623 -1.843 2.331 1.00 0.00 O ATOM 1475 OE2 GLU A 96 12.347 0.216 3.046 1.00 0.00 O ATOM 0 H GLU A 96 8.209 -0.087 4.117 1.00 0.00 H new ATOM 0 HA GLU A 96 9.764 0.942 2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.674 -1.863 2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.914 -1.487 1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.302 -0.671 4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.565 -2.338 3.760 1.00 0.00 H new ATOM 1482 N ILE A 97 6.937 -0.328 0.924 1.00 0.00 N ATOM 1483 CA ILE A 97 6.033 -0.311 -0.219 1.00 0.00 C ATOM 1484 C ILE A 97 5.691 1.118 -0.628 1.00 0.00 C ATOM 1485 O ILE A 97 5.661 1.445 -1.814 1.00 0.00 O ATOM 1486 CB ILE A 97 4.728 -1.071 0.084 1.00 0.00 C ATOM 1487 CG1 ILE A 97 5.035 -2.516 0.484 1.00 0.00 C ATOM 1488 CG2 ILE A 97 3.802 -1.036 -1.122 1.00 0.00 C ATOM 1489 CD1 ILE A 97 3.922 -3.176 1.267 1.00 0.00 C ATOM 0 H ILE A 97 6.613 -0.891 1.710 1.00 0.00 H new ATOM 0 HA ILE A 97 6.552 -0.808 -1.039 1.00 0.00 H new ATOM 0 HB ILE A 97 4.225 -0.581 0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.231 -3.100 -0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.947 -2.533 1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.884 -1.577 -0.892 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.561 -0.001 -1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.296 -1.504 -1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.209 -4.198 1.516 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.741 -2.616 2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.013 -3.191 0.665 1.00 0.00 H new ATOM 1501 N PHE A 98 5.436 1.967 0.363 1.00 0.00 N ATOM 1502 CA PHE A 98 5.098 3.362 0.106 1.00 0.00 C ATOM 1503 C PHE A 98 6.218 4.061 -0.658 1.00 0.00 C ATOM 1504 O PHE A 98 5.976 4.728 -1.662 1.00 0.00 O ATOM 1505 CB PHE A 98 4.829 4.093 1.423 1.00 0.00 C ATOM 1506 CG PHE A 98 4.573 5.563 1.250 1.00 0.00 C ATOM 1507 CD1 PHE A 98 5.624 6.444 1.052 1.00 0.00 C ATOM 1508 CD2 PHE A 98 3.281 6.064 1.285 1.00 0.00 C ATOM 1509 CE1 PHE A 98 5.391 7.797 0.894 1.00 0.00 C ATOM 1510 CE2 PHE A 98 3.042 7.416 1.127 1.00 0.00 C ATOM 1511 CZ PHE A 98 4.098 8.284 0.930 1.00 0.00 C ATOM 0 H PHE A 98 5.457 1.713 1.351 1.00 0.00 H new ATOM 0 HA PHE A 98 4.196 3.386 -0.506 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.969 3.638 1.913 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.683 3.956 2.086 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.636 6.069 1.021 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.451 5.390 1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 98 6.219 8.474 0.742 1.00 0.00 H new ATOM 0 HE2 PHE A 98 2.031 7.793 1.158 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.914 9.341 0.804 1.00 0.00 H new ATOM 1521 N ASN A 99 7.445 3.904 -0.172 1.00 0.00 N ATOM 1522 CA ASN A 99 8.604 4.521 -0.808 1.00 0.00 C ATOM 1523 C ASN A 99 8.781 4.006 -2.233 1.00 0.00 C ATOM 1524 O ASN A 99 8.959 4.787 -3.169 1.00 0.00 O ATOM 1525 CB ASN A 99 9.868 4.243 0.008 1.00 0.00 C ATOM 1526 CG ASN A 99 9.809 4.856 1.393 1.00 0.00 C ATOM 1527 OD1 ASN A 99 9.862 4.011 2.417 1.00 0.00 O flip ATOM 1528 ND2 ASN A 99 9.717 6.074 1.542 1.00 0.00 N flip ATOM 0 H ASN A 99 7.663 3.355 0.660 1.00 0.00 H new ATOM 0 HA ASN A 99 8.435 5.597 -0.848 1.00 0.00 H new ATOM 0 HB2 ASN A 99 10.010 3.166 0.096 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.734 4.637 -0.524 1.00 0.00 H new ATOM 0 HD21 ASN A 99 9.679 6.686 0.727 1.00 0.00 H new ATOM 0 HD22 ASN A 99 9.678 6.472 2.481 1.00 0.00 H new ATOM 1535 N LEU A 100 8.730 2.688 -2.391 1.00 0.00 N ATOM 1536 CA LEU A 100 8.884 2.068 -3.702 1.00 0.00 C ATOM 1537 C LEU A 100 7.796 2.542 -4.660 1.00 0.00 C ATOM 1538 O LEU A 100 8.072 2.882 -5.811 1.00 0.00 O ATOM 1539 CB LEU A 100 8.839 0.544 -3.576 1.00 0.00 C ATOM 1540 CG LEU A 100 8.990 -0.242 -4.878 1.00 0.00 C ATOM 1541 CD1 LEU A 100 10.345 0.032 -5.514 1.00 0.00 C ATOM 1542 CD2 LEU A 100 8.809 -1.732 -4.626 1.00 0.00 C ATOM 0 H LEU A 100 8.583 2.028 -1.627 1.00 0.00 H new ATOM 0 HA LEU A 100 9.852 2.365 -4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.630 0.232 -2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.891 0.265 -3.115 1.00 0.00 H new ATOM 0 HG LEU A 100 8.214 0.086 -5.570 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.434 -0.536 -6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.436 1.096 -5.731 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.137 -0.267 -4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.920 -2.276 -5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.562 -2.075 -3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.815 -1.914 -4.217 1.00 0.00 H new ATOM 1554 N LEU A 101 6.559 2.565 -4.177 1.00 0.00 N ATOM 1555 CA LEU A 101 5.428 3.000 -4.989 1.00 0.00 C ATOM 1556 C LEU A 101 5.692 4.373 -5.600 1.00 0.00 C ATOM 1557 O LEU A 101 5.620 4.545 -6.816 1.00 0.00 O ATOM 1558 CB LEU A 101 4.154 3.043 -4.144 1.00 0.00 C ATOM 1559 CG LEU A 101 2.844 3.223 -4.912 1.00 0.00 C ATOM 1560 CD1 LEU A 101 2.560 2.005 -5.777 1.00 0.00 C ATOM 1561 CD2 LEU A 101 1.692 3.478 -3.951 1.00 0.00 C ATOM 0 H LEU A 101 6.313 2.287 -3.227 1.00 0.00 H new ATOM 0 HA LEU A 101 5.296 2.281 -5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.091 2.118 -3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.246 3.858 -3.426 1.00 0.00 H new ATOM 0 HG LEU A 101 2.945 4.090 -5.564 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.624 2.152 -6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.372 1.869 -6.491 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.480 1.121 -5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.768 3.604 -4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.590 2.631 -3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.891 4.382 -3.376 1.00 0.00 H new ATOM 1573 N GLN A 102 6.001 5.345 -4.747 1.00 0.00 N ATOM 1574 CA GLN A 102 6.278 6.701 -5.204 1.00 0.00 C ATOM 1575 C GLN A 102 7.576 6.752 -6.004 1.00 0.00 C ATOM 1576 O GLN A 102 7.694 7.512 -6.965 1.00 0.00 O ATOM 1577 CB GLN A 102 6.362 7.656 -4.012 1.00 0.00 C ATOM 1578 CG GLN A 102 7.450 7.291 -3.015 1.00 0.00 C ATOM 1579 CD GLN A 102 7.859 8.462 -2.143 1.00 0.00 C ATOM 1580 OE1 GLN A 102 7.096 9.410 -1.958 1.00 0.00 O ATOM 1581 NE2 GLN A 102 9.070 8.402 -1.601 1.00 0.00 N ATOM 0 H GLN A 102 6.066 5.218 -3.737 1.00 0.00 H new ATOM 0 HA GLN A 102 5.460 7.013 -5.854 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.541 8.667 -4.379 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.400 7.669 -3.499 1.00 0.00 H new ATOM 0 HG2 GLN A 102 7.099 6.476 -2.382 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.323 6.922 -3.554 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.670 7.597 -1.781 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.400 9.161 -1.005 1.00 0.00 H new ATOM 1590 N ASP A 103 8.546 5.940 -5.600 1.00 0.00 N ATOM 1591 CA ASP A 103 9.835 5.891 -6.279 1.00 0.00 C ATOM 1592 C ASP A 103 9.664 5.492 -7.741 1.00 0.00 C ATOM 1593 O ASP A 103 10.177 6.158 -8.642 1.00 0.00 O ATOM 1594 CB ASP A 103 10.770 4.907 -5.574 1.00 0.00 C ATOM 1595 CG ASP A 103 11.508 5.541 -4.411 1.00 0.00 C ATOM 1596 OD1 ASP A 103 11.931 6.709 -4.542 1.00 0.00 O ATOM 1597 OD2 ASP A 103 11.661 4.869 -3.370 1.00 0.00 O ATOM 0 H ASP A 103 8.464 5.306 -4.805 1.00 0.00 H new ATOM 0 HA ASP A 103 10.275 6.887 -6.242 1.00 0.00 H new ATOM 0 HB2 ASP A 103 10.192 4.056 -5.213 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.493 4.520 -6.292 1.00 0.00 H new ATOM 1602 N LEU A 104 8.943 4.401 -7.971 1.00 0.00 N ATOM 1603 CA LEU A 104 8.705 3.911 -9.324 1.00 0.00 C ATOM 1604 C LEU A 104 8.006 4.970 -10.171 1.00 0.00 C ATOM 1605 O LEU A 104 8.341 5.164 -11.340 1.00 0.00 O ATOM 1606 CB LEU A 104 7.862 2.635 -9.285 1.00 0.00 C ATOM 1607 CG LEU A 104 8.454 1.463 -8.503 1.00 0.00 C ATOM 1608 CD1 LEU A 104 7.372 0.454 -8.152 1.00 0.00 C ATOM 1609 CD2 LEU A 104 9.567 0.798 -9.300 1.00 0.00 C ATOM 0 H LEU A 104 8.512 3.838 -7.237 1.00 0.00 H new ATOM 0 HA LEU A 104 9.670 3.687 -9.778 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.890 2.879 -8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.685 2.309 -10.310 1.00 0.00 H new ATOM 0 HG LEU A 104 8.878 1.848 -7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.813 -0.373 -7.595 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.609 0.936 -7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.918 0.074 -9.067 1.00 0.00 H new ATOM 0 HD21 LEU A 104 9.977 -0.034 -8.728 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.167 0.427 -10.244 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.355 1.524 -9.500 1.00 0.00 H new ATOM 1621 N MET A 105 7.036 5.654 -9.573 1.00 0.00 N ATOM 1622 CA MET A 105 6.293 6.696 -10.272 1.00 0.00 C ATOM 1623 C MET A 105 7.226 7.811 -10.735 1.00 0.00 C ATOM 1624 O MET A 105 7.272 8.141 -11.920 1.00 0.00 O ATOM 1625 CB MET A 105 5.203 7.270 -9.366 1.00 0.00 C ATOM 1626 CG MET A 105 4.187 6.237 -8.908 1.00 0.00 C ATOM 1627 SD MET A 105 3.330 6.727 -7.399 1.00 0.00 S ATOM 1628 CE MET A 105 1.740 7.222 -8.058 1.00 0.00 C ATOM 0 H MET A 105 6.746 5.505 -8.606 1.00 0.00 H new ATOM 0 HA MET A 105 5.827 6.249 -11.150 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.670 7.721 -8.491 1.00 0.00 H new ATOM 0 HB3 MET A 105 4.684 8.068 -9.897 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.456 6.076 -9.700 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.692 5.285 -8.742 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.976 7.108 -7.289 1.00 0.00 H new ATOM 0 HE2 MET A 105 1.785 8.265 -8.373 1.00 0.00 H new ATOM 0 HE3 MET A 105 1.490 6.595 -8.914 1.00 0.00 H new ATOM 1638 N GLN A 106 7.966 8.386 -9.793 1.00 0.00 N ATOM 1639 CA GLN A 106 8.896 9.465 -10.106 1.00 0.00 C ATOM 1640 C GLN A 106 10.004 8.977 -11.034 1.00 0.00 C ATOM 1641 O GLN A 106 10.515 9.735 -11.859 1.00 0.00 O ATOM 1642 CB GLN A 106 9.504 10.031 -8.822 1.00 0.00 C ATOM 1643 CG GLN A 106 10.373 9.037 -8.070 1.00 0.00 C ATOM 1644 CD GLN A 106 11.302 9.708 -7.076 1.00 0.00 C ATOM 1645 OE1 GLN A 106 10.947 9.906 -5.914 1.00 0.00 O ATOM 1646 NE2 GLN A 106 12.499 10.061 -7.530 1.00 0.00 N ATOM 0 H GLN A 106 7.940 8.123 -8.808 1.00 0.00 H new ATOM 0 HA GLN A 106 8.341 10.253 -10.615 1.00 0.00 H new ATOM 0 HB2 GLN A 106 10.101 10.909 -9.069 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.700 10.367 -8.167 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.734 8.328 -7.543 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.964 8.464 -8.784 1.00 0.00 H new ATOM 0 HE21 GLN A 106 12.751 9.877 -8.501 1.00 0.00 H new ATOM 0 HE22 GLN A 106 13.167 10.516 -6.907 1.00 0.00 H new ATOM 2022 N PHE A 136 -12.803 -6.478 -0.520 1.00 0.00 N ATOM 2023 CA PHE A 136 -13.726 -5.630 0.226 1.00 0.00 C ATOM 2024 C PHE A 136 -13.328 -4.161 0.111 1.00 0.00 C ATOM 2025 O PHE A 136 -12.310 -3.738 0.659 1.00 0.00 O ATOM 2026 CB PHE A 136 -13.759 -6.047 1.698 1.00 0.00 C ATOM 2027 CG PHE A 136 -14.782 -5.303 2.508 1.00 0.00 C ATOM 2028 CD1 PHE A 136 -14.564 -3.988 2.885 1.00 0.00 C ATOM 2029 CD2 PHE A 136 -15.961 -5.920 2.894 1.00 0.00 C ATOM 2030 CE1 PHE A 136 -15.503 -3.301 3.631 1.00 0.00 C ATOM 2031 CE2 PHE A 136 -16.904 -5.238 3.640 1.00 0.00 C ATOM 2032 CZ PHE A 136 -16.674 -3.927 4.009 1.00 0.00 C ATOM 0 HA PHE A 136 -14.721 -5.754 -0.202 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -13.965 -7.116 1.760 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -12.774 -5.886 2.135 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -13.649 -3.494 2.593 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -16.145 -6.945 2.609 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -15.321 -2.276 3.918 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -17.820 -5.730 3.934 1.00 0.00 H new ATOM 0 HZ PHE A 136 -17.409 -3.392 4.592 1.00 0.00 H new ATOM 2042 N ARG A 137 -14.138 -3.389 -0.606 1.00 0.00 N ATOM 2043 CA ARG A 137 -13.871 -1.969 -0.795 1.00 0.00 C ATOM 2044 C ARG A 137 -14.200 -1.180 0.469 1.00 0.00 C ATOM 2045 O ARG A 137 -15.136 -1.515 1.196 1.00 0.00 O ATOM 2046 CB ARG A 137 -14.684 -1.427 -1.973 1.00 0.00 C ATOM 2047 CG ARG A 137 -14.184 -1.902 -3.327 1.00 0.00 C ATOM 2048 CD ARG A 137 -15.257 -1.765 -4.396 1.00 0.00 C ATOM 2049 NE ARG A 137 -16.421 -2.601 -4.114 1.00 0.00 N ATOM 2050 CZ ARG A 137 -17.563 -2.522 -4.788 1.00 0.00 C ATOM 2051 NH1 ARG A 137 -17.693 -1.651 -5.778 1.00 0.00 N ATOM 2052 NH2 ARG A 137 -18.577 -3.317 -4.471 1.00 0.00 N ATOM 0 H ARG A 137 -14.985 -3.724 -1.066 1.00 0.00 H new ATOM 0 HA ARG A 137 -12.809 -1.851 -1.010 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -15.725 -1.727 -1.854 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -14.662 -0.338 -1.948 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -13.306 -1.324 -3.615 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -13.871 -2.944 -3.256 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -15.568 -0.723 -4.466 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -14.840 -2.039 -5.365 1.00 0.00 H new ATOM 0 HE ARG A 137 -16.353 -3.283 -3.358 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -16.915 -1.039 -6.024 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -18.571 -1.593 -6.294 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -18.480 -3.989 -3.710 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -19.454 -3.256 -4.989 1.00 0.00 H new ATOM 2066 N LEU A 138 -13.425 -0.133 0.725 1.00 0.00 N ATOM 2067 CA LEU A 138 -13.633 0.704 1.902 1.00 0.00 C ATOM 2068 C LEU A 138 -14.208 2.061 1.511 1.00 0.00 C ATOM 2069 O LEU A 138 -13.805 2.651 0.508 1.00 0.00 O ATOM 2070 CB LEU A 138 -12.316 0.893 2.657 1.00 0.00 C ATOM 2071 CG LEU A 138 -11.756 -0.348 3.353 1.00 0.00 C ATOM 2072 CD1 LEU A 138 -10.385 -0.057 3.943 1.00 0.00 C ATOM 2073 CD2 LEU A 138 -12.713 -0.830 4.434 1.00 0.00 C ATOM 0 H LEU A 138 -12.646 0.157 0.134 1.00 0.00 H new ATOM 0 HA LEU A 138 -14.349 0.201 2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -11.567 1.260 1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -12.459 1.672 3.406 1.00 0.00 H new ATOM 0 HG LEU A 138 -11.648 -1.140 2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -10.003 -0.952 4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.702 0.240 3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.466 0.750 4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -12.299 -1.714 4.919 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -12.853 -0.042 5.174 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -13.674 -1.080 3.984 1.00 0.00 H new ATOM 2085 N ARG A 139 -15.150 2.551 2.309 1.00 0.00 N ATOM 2086 CA ARG A 139 -15.780 3.840 2.047 1.00 0.00 C ATOM 2087 C ARG A 139 -14.815 4.986 2.337 1.00 0.00 C ATOM 2088 O ARG A 139 -14.611 5.866 1.500 1.00 0.00 O ATOM 2089 CB ARG A 139 -17.044 3.996 2.894 1.00 0.00 C ATOM 2090 CG ARG A 139 -18.242 3.239 2.346 1.00 0.00 C ATOM 2091 CD ARG A 139 -19.361 3.148 3.373 1.00 0.00 C ATOM 2092 NE ARG A 139 -20.644 2.821 2.757 1.00 0.00 N ATOM 2093 CZ ARG A 139 -21.815 3.206 3.250 1.00 0.00 C ATOM 2094 NH1 ARG A 139 -21.865 3.930 4.360 1.00 0.00 N ATOM 2095 NH2 ARG A 139 -22.940 2.869 2.632 1.00 0.00 N ATOM 0 H ARG A 139 -15.494 2.075 3.143 1.00 0.00 H new ATOM 0 HA ARG A 139 -16.052 3.875 0.992 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -16.838 3.649 3.906 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -17.295 5.054 2.965 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -18.610 3.737 1.449 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -17.936 2.236 2.050 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -19.111 2.389 4.115 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -19.445 4.097 3.903 1.00 0.00 H new ATOM 0 HE ARG A 139 -20.640 2.266 1.901 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -21.002 4.192 4.837 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -22.766 4.225 4.737 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -22.906 2.314 1.777 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -23.839 3.165 3.012 1.00 0.00 H new ATOM 2109 N HIS A 140 -14.224 4.968 3.527 1.00 0.00 N ATOM 2110 CA HIS A 140 -13.280 6.005 3.928 1.00 0.00 C ATOM 2111 C HIS A 140 -11.848 5.480 3.894 1.00 0.00 C ATOM 2112 O HIS A 140 -11.618 4.292 3.667 1.00 0.00 O ATOM 2113 CB HIS A 140 -13.616 6.516 5.330 1.00 0.00 C ATOM 2114 CG HIS A 140 -14.716 7.531 5.350 1.00 0.00 C ATOM 2115 ND1 HIS A 140 -14.491 8.882 5.507 1.00 0.00 N ATOM 2116 CD2 HIS A 140 -16.057 7.386 5.231 1.00 0.00 C ATOM 2117 CE1 HIS A 140 -15.645 9.524 5.485 1.00 0.00 C ATOM 2118 NE2 HIS A 140 -16.611 8.639 5.318 1.00 0.00 N ATOM 0 H HIS A 140 -14.382 4.247 4.231 1.00 0.00 H new ATOM 0 HA HIS A 140 -13.362 6.829 3.220 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -13.901 5.671 5.957 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -12.721 6.954 5.772 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -16.591 6.458 5.093 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -15.776 10.591 5.586 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -17.607 8.852 5.263 1.00 0.00 H new ATOM 2127 N PHE A 141 -10.890 6.372 4.121 1.00 0.00 N ATOM 2128 CA PHE A 141 -9.481 5.998 4.115 1.00 0.00 C ATOM 2129 C PHE A 141 -9.000 5.665 5.524 1.00 0.00 C ATOM 2130 O PHE A 141 -8.997 6.508 6.421 1.00 0.00 O ATOM 2131 CB PHE A 141 -8.634 7.130 3.529 1.00 0.00 C ATOM 2132 CG PHE A 141 -7.385 6.652 2.844 1.00 0.00 C ATOM 2133 CD1 PHE A 141 -7.460 5.799 1.755 1.00 0.00 C ATOM 2134 CD2 PHE A 141 -6.137 7.056 3.289 1.00 0.00 C ATOM 2135 CE1 PHE A 141 -6.312 5.356 1.124 1.00 0.00 C ATOM 2136 CE2 PHE A 141 -4.986 6.618 2.662 1.00 0.00 C ATOM 2137 CZ PHE A 141 -5.074 5.767 1.577 1.00 0.00 C ATOM 0 H PHE A 141 -11.064 7.359 4.311 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.369 5.110 3.493 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -9.237 7.693 2.816 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -8.360 7.819 4.328 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -8.426 5.476 1.395 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.063 7.721 4.136 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.384 4.689 0.278 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -4.019 6.940 3.020 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.176 5.424 1.084 1.00 0.00 H new ATOM 2147 N PRO A 142 -8.584 4.406 5.725 1.00 0.00 N ATOM 2148 CA PRO A 142 -8.093 3.932 7.022 1.00 0.00 C ATOM 2149 C PRO A 142 -6.744 4.540 7.389 1.00 0.00 C ATOM 2150 O PRO A 142 -6.421 4.691 8.568 1.00 0.00 O ATOM 2151 CB PRO A 142 -7.961 2.420 6.820 1.00 0.00 C ATOM 2152 CG PRO A 142 -7.768 2.249 5.353 1.00 0.00 C ATOM 2153 CD PRO A 142 -8.560 3.348 4.700 1.00 0.00 C ATOM 0 HA PRO A 142 -8.761 4.211 7.837 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -7.117 2.018 7.380 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -8.852 1.895 7.166 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -6.713 2.318 5.088 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -8.116 1.269 5.025 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -8.088 3.691 3.779 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -9.566 3.018 4.439 1.00 0.00 H new ATOM 2161 N CYS A 143 -5.961 4.887 6.374 1.00 0.00 N ATOM 2162 CA CYS A 143 -4.646 5.479 6.590 1.00 0.00 C ATOM 2163 C CYS A 143 -4.753 6.989 6.775 1.00 0.00 C ATOM 2164 O CYS A 143 -5.762 7.598 6.423 1.00 0.00 O ATOM 2165 CB CYS A 143 -3.720 5.161 5.415 1.00 0.00 C ATOM 2166 SG CYS A 143 -2.961 3.522 5.496 1.00 0.00 S ATOM 0 H CYS A 143 -6.214 4.769 5.393 1.00 0.00 H new ATOM 0 HA CYS A 143 -4.227 5.049 7.499 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -4.287 5.242 4.487 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -2.932 5.913 5.373 1.00 0.00 H new ATOM 0 HG CYS A 143 -2.198 3.345 4.459 1.00 0.00 H new ATOM 2172 N GLY A 144 -3.704 7.589 7.331 1.00 0.00 N ATOM 2173 CA GLY A 144 -3.701 9.022 7.554 1.00 0.00 C ATOM 2174 C GLY A 144 -2.757 9.753 6.620 1.00 0.00 C ATOM 2175 O GLY A 144 -3.159 10.683 5.923 1.00 0.00 O ATOM 0 H GLY A 144 -2.856 7.107 7.631 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -4.711 9.409 7.421 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -3.415 9.225 8.586 1.00 0.00 H new ATOM 2179 N ASN A 145 -1.496 9.331 6.608 1.00 0.00 N ATOM 2180 CA ASN A 145 -0.491 9.954 5.754 1.00 0.00 C ATOM 2181 C ASN A 145 -0.750 9.632 4.285 1.00 0.00 C ATOM 2182 O ASN A 145 -0.292 8.611 3.772 1.00 0.00 O ATOM 2183 CB ASN A 145 0.909 9.482 6.151 1.00 0.00 C ATOM 2184 CG ASN A 145 1.063 9.328 7.652 1.00 0.00 C ATOM 2185 OD1 ASN A 145 1.067 10.313 8.391 1.00 0.00 O ATOM 2186 ND2 ASN A 145 1.190 8.088 8.110 1.00 0.00 N ATOM 0 H ASN A 145 -1.147 8.561 7.179 1.00 0.00 H new ATOM 0 HA ASN A 145 -0.555 11.034 5.888 1.00 0.00 H new ATOM 0 HB2 ASN A 145 1.119 8.528 5.667 1.00 0.00 H new ATOM 0 HB3 ASN A 145 1.648 10.195 5.784 1.00 0.00 H new ATOM 0 HD21 ASN A 145 1.296 7.922 9.111 1.00 0.00 H new ATOM 0 HD22 ASN A 145 1.181 7.301 7.461 1.00 0.00 H new ATOM 2193 N VAL A 146 -1.487 10.511 3.613 1.00 0.00 N ATOM 2194 CA VAL A 146 -1.806 10.322 2.203 1.00 0.00 C ATOM 2195 C VAL A 146 -0.876 11.140 1.315 1.00 0.00 C ATOM 2196 O VAL A 146 -0.611 12.310 1.588 1.00 0.00 O ATOM 2197 CB VAL A 146 -3.265 10.715 1.900 1.00 0.00 C ATOM 2198 CG1 VAL A 146 -3.559 10.571 0.415 1.00 0.00 C ATOM 2199 CG2 VAL A 146 -4.225 9.874 2.727 1.00 0.00 C ATOM 0 H VAL A 146 -1.874 11.361 4.023 1.00 0.00 H new ATOM 0 HA VAL A 146 -1.671 9.262 1.987 1.00 0.00 H new ATOM 0 HB VAL A 146 -3.406 11.761 2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -4.594 10.853 0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -2.893 11.221 -0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -3.402 9.536 0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -5.251 10.165 2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -4.085 8.820 2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -4.028 10.034 3.787 1.00 0.00 H new ATOM 2209 N ASN A 147 -0.383 10.516 0.250 1.00 0.00 N ATOM 2210 CA ASN A 147 0.519 11.187 -0.680 1.00 0.00 C ATOM 2211 C ASN A 147 -0.117 11.308 -2.061 1.00 0.00 C ATOM 2212 O ASN A 147 -0.803 10.396 -2.523 1.00 0.00 O ATOM 2213 CB ASN A 147 1.841 10.424 -0.779 1.00 0.00 C ATOM 2214 CG ASN A 147 2.858 11.141 -1.647 1.00 0.00 C ATOM 2215 OD1 ASN A 147 2.663 12.295 -2.026 1.00 0.00 O ATOM 2216 ND2 ASN A 147 3.951 10.457 -1.965 1.00 0.00 N ATOM 0 H ASN A 147 -0.593 9.547 0.009 1.00 0.00 H new ATOM 0 HA ASN A 147 0.714 12.190 -0.300 1.00 0.00 H new ATOM 0 HB2 ASN A 147 2.253 10.286 0.220 1.00 0.00 H new ATOM 0 HB3 ASN A 147 1.655 9.431 -1.187 1.00 0.00 H new ATOM 0 HD21 ASN A 147 4.671 10.887 -2.546 1.00 0.00 H new ATOM 0 HD22 ASN A 147 4.071 9.502 -1.628 1.00 0.00 H new ATOM 2223 N TYR A 148 0.117 12.441 -2.716 1.00 0.00 N ATOM 2224 CA TYR A 148 -0.434 12.683 -4.044 1.00 0.00 C ATOM 2225 C TYR A 148 0.611 12.418 -5.124 1.00 0.00 C ATOM 2226 O TYR A 148 1.704 12.984 -5.099 1.00 0.00 O ATOM 2227 CB TYR A 148 -0.943 14.121 -4.153 1.00 0.00 C ATOM 2228 CG TYR A 148 -2.389 14.284 -3.743 1.00 0.00 C ATOM 2229 CD1 TYR A 148 -2.839 13.820 -2.513 1.00 0.00 C ATOM 2230 CD2 TYR A 148 -3.305 14.902 -4.585 1.00 0.00 C ATOM 2231 CE1 TYR A 148 -4.160 13.966 -2.135 1.00 0.00 C ATOM 2232 CE2 TYR A 148 -4.627 15.054 -4.214 1.00 0.00 C ATOM 2233 CZ TYR A 148 -5.049 14.584 -2.988 1.00 0.00 C ATOM 2234 OH TYR A 148 -6.366 14.732 -2.615 1.00 0.00 O ATOM 0 H TYR A 148 0.684 13.205 -2.349 1.00 0.00 H new ATOM 0 HA TYR A 148 -1.268 11.997 -4.195 1.00 0.00 H new ATOM 0 HB2 TYR A 148 -0.323 14.765 -3.530 1.00 0.00 H new ATOM 0 HB3 TYR A 148 -0.825 14.462 -5.181 1.00 0.00 H new ATOM 0 HD1 TYR A 148 -2.145 13.337 -1.841 1.00 0.00 H new ATOM 0 HD2 TYR A 148 -2.978 15.270 -5.546 1.00 0.00 H new ATOM 0 HE1 TYR A 148 -4.494 13.598 -1.176 1.00 0.00 H new ATOM 0 HE2 TYR A 148 -5.326 15.538 -4.880 1.00 0.00 H new ATOM 0 HH TYR A 148 -6.859 15.189 -3.328 1.00 0.00 H new ATOM 2244 N GLY A 149 0.266 11.553 -6.073 1.00 0.00 N ATOM 2245 CA GLY A 149 1.184 11.227 -7.149 1.00 0.00 C ATOM 2246 C GLY A 149 0.809 11.901 -8.454 1.00 0.00 C ATOM 2247 O GLY A 149 0.880 13.124 -8.572 1.00 0.00 O ATOM 0 H GLY A 149 -0.633 11.072 -6.116 1.00 0.00 H new ATOM 0 HA2 GLY A 149 2.193 11.527 -6.865 1.00 0.00 H new ATOM 0 HA3 GLY A 149 1.201 10.147 -7.293 1.00 0.00 H new