USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=22 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 -137:sc= 0.00817 USER MOD Set 1.2: A 102 GLN : amide:sc= 0 K(o=0.35,f=-0.63) USER MOD Set 1.3: A 147 ASN : amide:sc= 0.346 K(o=0.35,f=-2.5!) USER MOD Set 2.1: A 80 CYS SG : rot -77:sc= 0.643 USER MOD Set 2.2: A 82 THR OG1 : rot 140:sc= 0.544 USER MOD Single : A 19 THR OG1 : rot -25:sc= 0.103 USER MOD Single : A 20 LYS NZ :NH3+ -160:sc= 1.24 (180deg=0.751) USER MOD Single : A 22 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0193) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.745 K(o=0.75,f=-0.15) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 156:sc= 0 (180deg=-0.0658) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.386 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.948 K(o=0.95,f=-2.9!) USER MOD Single : A 59 TYR OH : rot 172:sc= 0.579 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.198 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= -0.121 X(o=-0.12,f=-0.21) USER MOD Single : A 73 SER OG : rot -91:sc= 0.0303 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0.884 K(o=0.88,f=-7.6!) USER MOD Single : A 84 GLN : amide:sc= 1.28 K(o=1.3,f=-6.9!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0.908 K(o=0.91,f=0) USER MOD Single : A 105 MET CE :methyl 178:sc= 0 (180deg=-0.0038) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 CYS SG : rot 170:sc= 0 USER MOD Single : A 145 ASN : amide:sc= 0.596 K(o=0.6,f=0) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 233 N THR A 19 7.288 0.911 -11.875 1.00 0.00 N ATOM 234 CA THR A 19 6.550 2.050 -11.286 1.00 0.00 C ATOM 235 C THR A 19 5.092 1.768 -10.938 1.00 0.00 C ATOM 236 O THR A 19 4.481 2.572 -10.235 1.00 0.00 O ATOM 237 CB THR A 19 6.630 3.282 -12.194 1.00 0.00 C ATOM 238 OG1 THR A 19 6.120 2.965 -13.470 1.00 0.00 O ATOM 239 CG2 THR A 19 8.059 3.798 -12.367 1.00 0.00 C ATOM 0 HA THR A 19 7.054 2.238 -10.338 1.00 0.00 H new ATOM 0 HB THR A 19 6.041 4.063 -11.713 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.205 2.001 -13.626 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.054 4.671 -13.020 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.466 4.074 -11.394 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.677 3.017 -12.810 1.00 0.00 H new ATOM 247 N LYS A 20 4.544 0.633 -11.378 1.00 0.00 N ATOM 248 CA LYS A 20 3.159 0.196 -11.151 1.00 0.00 C ATOM 249 C LYS A 20 3.101 -0.978 -10.145 1.00 0.00 C ATOM 250 O LYS A 20 3.862 -1.942 -10.273 1.00 0.00 O ATOM 251 CB LYS A 20 2.578 -0.187 -12.526 1.00 0.00 C ATOM 252 CG LYS A 20 1.063 -0.428 -12.526 1.00 0.00 C ATOM 253 CD LYS A 20 0.585 -1.104 -13.823 1.00 0.00 C ATOM 254 CE LYS A 20 0.816 -0.304 -15.116 1.00 0.00 C ATOM 255 NZ LYS A 20 -0.074 0.880 -15.238 1.00 0.00 N ATOM 0 H LYS A 20 5.077 -0.040 -11.929 1.00 0.00 H new ATOM 0 HA LYS A 20 2.566 0.994 -10.705 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.808 0.605 -13.238 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.078 -1.089 -12.880 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.795 -1.051 -11.673 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.545 0.523 -12.401 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.090 -2.065 -13.917 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.481 -1.311 -13.731 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.855 0.025 -15.152 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.659 -0.958 -15.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.124 1.176 -16.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.027 0.634 -14.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.305 1.660 -14.664 1.00 0.00 H new ATOM 269 N PHE A 21 2.192 -0.916 -9.164 1.00 0.00 N ATOM 270 CA PHE A 21 2.111 -1.843 -8.025 1.00 0.00 C ATOM 271 C PHE A 21 0.656 -2.123 -7.611 1.00 0.00 C ATOM 272 O PHE A 21 -0.157 -1.207 -7.503 1.00 0.00 O ATOM 273 CB PHE A 21 2.870 -1.240 -6.828 1.00 0.00 C ATOM 274 CG PHE A 21 4.364 -1.048 -7.018 1.00 0.00 C ATOM 275 CD1 PHE A 21 5.255 -2.074 -6.656 1.00 0.00 C ATOM 276 CD2 PHE A 21 4.867 0.166 -7.527 1.00 0.00 C ATOM 277 CE1 PHE A 21 6.642 -1.890 -6.795 1.00 0.00 C ATOM 278 CE2 PHE A 21 6.254 0.347 -7.671 1.00 0.00 C ATOM 279 CZ PHE A 21 7.143 -0.678 -7.301 1.00 0.00 C ATOM 0 H PHE A 21 1.469 -0.197 -9.139 1.00 0.00 H new ATOM 0 HA PHE A 21 2.559 -2.788 -8.331 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.426 -0.273 -6.591 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.713 -1.883 -5.962 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.872 -3.007 -6.270 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.187 0.957 -7.806 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.322 -2.680 -6.513 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.638 1.276 -8.067 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.208 -0.534 -7.405 1.00 0.00 H new ATOM 289 N LYS A 22 0.328 -3.383 -7.312 1.00 0.00 N ATOM 290 CA LYS A 22 -0.962 -3.765 -6.717 1.00 0.00 C ATOM 291 C LYS A 22 -1.075 -3.261 -5.262 1.00 0.00 C ATOM 292 O LYS A 22 -0.123 -3.391 -4.488 1.00 0.00 O ATOM 293 CB LYS A 22 -1.118 -5.299 -6.759 1.00 0.00 C ATOM 294 CG LYS A 22 -1.093 -5.946 -8.153 1.00 0.00 C ATOM 295 CD LYS A 22 -2.197 -5.422 -9.087 1.00 0.00 C ATOM 296 CE LYS A 22 -2.325 -6.261 -10.368 1.00 0.00 C ATOM 297 NZ LYS A 22 -2.937 -7.596 -10.118 1.00 0.00 N ATOM 0 H LYS A 22 0.951 -4.174 -7.476 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.760 -3.301 -7.297 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.320 -5.741 -6.162 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.060 -5.561 -6.277 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.121 -5.765 -8.613 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.199 -7.026 -8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.150 -5.425 -8.557 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.983 -4.387 -9.353 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.930 -5.718 -11.095 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.338 -6.395 -10.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.094 -8.081 -11.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.298 -8.165 -9.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.846 -7.475 -9.628 1.00 0.00 H new ATOM 311 N VAL A 23 -2.237 -2.726 -4.883 1.00 0.00 N ATOM 312 CA VAL A 23 -2.529 -2.188 -3.534 1.00 0.00 C ATOM 313 C VAL A 23 -3.981 -2.461 -3.116 1.00 0.00 C ATOM 314 O VAL A 23 -4.839 -2.701 -3.966 1.00 0.00 O ATOM 315 CB VAL A 23 -2.235 -0.672 -3.430 1.00 0.00 C ATOM 316 CG1 VAL A 23 -0.727 -0.371 -3.461 1.00 0.00 C ATOM 317 CG2 VAL A 23 -2.986 0.170 -4.474 1.00 0.00 C ATOM 0 H VAL A 23 -3.031 -2.648 -5.518 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.861 -2.712 -2.851 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.619 -0.372 -2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.569 0.705 -3.385 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.239 -0.869 -2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.302 -0.735 -4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.733 1.222 -4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.698 -0.150 -5.475 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.060 0.036 -4.345 1.00 0.00 H new ATOM 327 N THR A 24 -4.260 -2.385 -1.809 1.00 0.00 N ATOM 328 CA THR A 24 -5.611 -2.451 -1.223 1.00 0.00 C ATOM 329 C THR A 24 -5.711 -1.399 -0.133 1.00 0.00 C ATOM 330 O THR A 24 -4.914 -1.425 0.799 1.00 0.00 O ATOM 331 CB THR A 24 -5.898 -3.857 -0.670 1.00 0.00 C ATOM 332 OG1 THR A 24 -5.803 -4.783 -1.729 1.00 0.00 O ATOM 333 CG2 THR A 24 -7.312 -3.987 -0.103 1.00 0.00 C ATOM 0 H THR A 24 -3.531 -2.272 -1.105 1.00 0.00 H new ATOM 0 HA THR A 24 -6.360 -2.252 -1.990 1.00 0.00 H new ATOM 0 HB THR A 24 -5.177 -4.043 0.126 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.982 -5.685 -1.391 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.461 -4.999 0.274 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.445 -3.274 0.710 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.039 -3.781 -0.888 1.00 0.00 H new ATOM 341 N ASN A 25 -6.656 -0.462 -0.242 1.00 0.00 N ATOM 342 CA ASN A 25 -6.847 0.586 0.767 1.00 0.00 C ATOM 343 C ASN A 25 -7.377 -0.009 2.083 1.00 0.00 C ATOM 344 O ASN A 25 -8.256 -0.877 2.057 1.00 0.00 O ATOM 345 CB ASN A 25 -7.784 1.681 0.233 1.00 0.00 C ATOM 346 CG ASN A 25 -7.922 2.840 1.222 1.00 0.00 C ATOM 347 OD1 ASN A 25 -8.964 3.050 1.827 1.00 0.00 O ATOM 348 ND2 ASN A 25 -6.874 3.610 1.446 1.00 0.00 N ATOM 0 H ASN A 25 -7.307 -0.407 -1.026 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.880 1.042 0.978 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.401 2.056 -0.716 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.767 1.254 0.034 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.937 4.373 2.119 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.001 3.442 0.946 1.00 0.00 H new ATOM 355 N VAL A 26 -6.846 0.458 3.216 1.00 0.00 N ATOM 356 CA VAL A 26 -7.147 -0.105 4.540 1.00 0.00 C ATOM 357 C VAL A 26 -7.355 0.957 5.620 1.00 0.00 C ATOM 358 O VAL A 26 -6.787 2.049 5.563 1.00 0.00 O ATOM 359 CB VAL A 26 -6.069 -1.108 5.018 1.00 0.00 C ATOM 360 CG1 VAL A 26 -6.062 -2.401 4.193 1.00 0.00 C ATOM 361 CG2 VAL A 26 -4.645 -0.536 5.033 1.00 0.00 C ATOM 0 H VAL A 26 -6.192 1.240 3.244 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.089 -0.634 4.399 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.359 -1.326 6.046 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.288 -3.069 4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.033 -2.889 4.274 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.860 -2.165 3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.949 -1.300 5.380 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.368 -0.223 4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.605 0.322 5.704 1.00 0.00 H new ATOM 371 N ASP A 27 -8.162 0.591 6.620 1.00 0.00 N ATOM 372 CA ASP A 27 -8.357 1.343 7.865 1.00 0.00 C ATOM 373 C ASP A 27 -7.064 1.373 8.716 1.00 0.00 C ATOM 374 O ASP A 27 -6.096 0.664 8.431 1.00 0.00 O ATOM 375 CB ASP A 27 -9.510 0.731 8.691 1.00 0.00 C ATOM 376 CG ASP A 27 -10.918 0.743 8.066 1.00 0.00 C ATOM 377 OD1 ASP A 27 -11.066 0.928 6.839 1.00 0.00 O ATOM 378 OD2 ASP A 27 -11.889 0.522 8.830 1.00 0.00 O ATOM 0 H ASP A 27 -8.716 -0.265 6.585 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.612 2.367 7.593 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.251 -0.304 8.915 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.560 1.261 9.642 1.00 0.00 H new ATOM 383 N ASP A 28 -7.065 2.125 9.823 1.00 0.00 N ATOM 384 CA ASP A 28 -5.962 2.140 10.802 1.00 0.00 C ATOM 385 C ASP A 28 -5.711 0.770 11.476 1.00 0.00 C ATOM 386 O ASP A 28 -4.629 0.530 12.014 1.00 0.00 O ATOM 387 CB ASP A 28 -6.213 3.226 11.864 1.00 0.00 C ATOM 388 CG ASP A 28 -7.322 2.859 12.864 1.00 0.00 C ATOM 389 OD1 ASP A 28 -8.512 2.882 12.472 1.00 0.00 O ATOM 390 OD2 ASP A 28 -6.997 2.572 14.041 1.00 0.00 O ATOM 0 H ASP A 28 -7.835 2.746 10.070 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.055 2.370 10.243 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.288 3.410 12.410 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.479 4.158 11.364 1.00 0.00 H new ATOM 395 N GLU A 29 -6.695 -0.134 11.405 1.00 0.00 N ATOM 396 CA GLU A 29 -6.629 -1.520 11.890 1.00 0.00 C ATOM 397 C GLU A 29 -6.254 -2.537 10.788 1.00 0.00 C ATOM 398 O GLU A 29 -6.197 -3.741 11.047 1.00 0.00 O ATOM 399 CB GLU A 29 -7.970 -1.907 12.542 1.00 0.00 C ATOM 400 CG GLU A 29 -8.292 -1.067 13.784 1.00 0.00 C ATOM 401 CD GLU A 29 -9.522 -1.624 14.518 1.00 0.00 C ATOM 402 OE1 GLU A 29 -10.668 -1.284 14.138 1.00 0.00 O ATOM 403 OE2 GLU A 29 -9.352 -2.405 15.485 1.00 0.00 O ATOM 0 H GLU A 29 -7.600 0.089 10.990 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.828 -1.560 12.628 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.771 -1.789 11.812 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.943 -2.961 12.819 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.434 -1.061 14.456 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.475 -0.033 13.491 1.00 0.00 H new ATOM 410 N GLY A 30 -6.008 -2.085 9.549 1.00 0.00 N ATOM 411 CA GLY A 30 -5.565 -2.932 8.428 1.00 0.00 C ATOM 412 C GLY A 30 -6.691 -3.658 7.678 1.00 0.00 C ATOM 413 O GLY A 30 -6.403 -4.548 6.880 1.00 0.00 O ATOM 0 H GLY A 30 -6.113 -1.103 9.292 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.017 -2.312 7.718 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.865 -3.675 8.809 1.00 0.00 H new ATOM 417 N VAL A 31 -7.952 -3.296 7.926 1.00 0.00 N ATOM 418 CA VAL A 31 -9.152 -3.930 7.340 1.00 0.00 C ATOM 419 C VAL A 31 -9.301 -3.538 5.865 1.00 0.00 C ATOM 420 O VAL A 31 -9.411 -2.355 5.546 1.00 0.00 O ATOM 421 CB VAL A 31 -10.435 -3.558 8.124 1.00 0.00 C ATOM 422 CG1 VAL A 31 -11.692 -4.196 7.505 1.00 0.00 C ATOM 423 CG2 VAL A 31 -10.330 -4.015 9.591 1.00 0.00 C ATOM 0 H VAL A 31 -8.181 -2.530 8.559 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.019 -5.010 7.409 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.526 -2.473 8.073 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.569 -3.909 8.086 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.808 -3.850 6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.591 -5.281 7.513 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.242 -3.743 10.123 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.197 -5.096 9.627 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.476 -3.529 10.063 1.00 0.00 H new ATOM 433 N GLU A 32 -9.312 -4.539 4.981 1.00 0.00 N ATOM 434 CA GLU A 32 -9.382 -4.393 3.520 1.00 0.00 C ATOM 435 C GLU A 32 -10.746 -3.862 3.054 1.00 0.00 C ATOM 436 O GLU A 32 -11.775 -4.514 3.255 1.00 0.00 O ATOM 437 CB GLU A 32 -9.081 -5.748 2.853 1.00 0.00 C ATOM 438 CG GLU A 32 -7.627 -6.199 3.054 1.00 0.00 C ATOM 439 CD GLU A 32 -7.419 -7.627 2.527 1.00 0.00 C ATOM 440 OE1 GLU A 32 -7.139 -7.799 1.318 1.00 0.00 O ATOM 441 OE2 GLU A 32 -7.534 -8.588 3.326 1.00 0.00 O ATOM 0 H GLU A 32 -9.271 -5.515 5.273 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.634 -3.658 3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.751 -6.505 3.260 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.291 -5.677 1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.955 -5.514 2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.372 -6.157 4.113 1.00 0.00 H new ATOM 448 N LEU A 33 -10.745 -2.693 2.398 1.00 0.00 N ATOM 449 CA LEU A 33 -11.946 -2.068 1.828 1.00 0.00 C ATOM 450 C LEU A 33 -12.117 -2.401 0.342 1.00 0.00 C ATOM 451 O LEU A 33 -13.143 -2.955 -0.059 1.00 0.00 O ATOM 452 CB LEU A 33 -11.883 -0.542 2.027 1.00 0.00 C ATOM 453 CG LEU A 33 -11.865 -0.056 3.490 1.00 0.00 C ATOM 454 CD1 LEU A 33 -11.876 1.478 3.471 1.00 0.00 C ATOM 455 CD2 LEU A 33 -13.062 -0.591 4.289 1.00 0.00 C ATOM 0 H LEU A 33 -9.897 -2.147 2.246 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.812 -2.472 2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.990 -0.166 1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.741 -0.094 1.526 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.970 -0.433 3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.864 1.855 4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.996 1.842 2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.776 1.829 2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.009 -0.224 5.314 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.989 -0.249 3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -13.039 -1.681 4.293 1.00 0.00 H new ATOM 467 N GLY A 34 -11.114 -2.057 -0.473 1.00 0.00 N ATOM 468 CA GLY A 34 -11.116 -2.262 -1.926 1.00 0.00 C ATOM 469 C GLY A 34 -9.724 -2.220 -2.547 1.00 0.00 C ATOM 470 O GLY A 34 -8.847 -1.482 -2.094 1.00 0.00 O ATOM 0 H GLY A 34 -10.258 -1.618 -0.133 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.576 -3.225 -2.149 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.737 -1.497 -2.392 1.00 0.00 H new ATOM 474 N SER A 35 -9.522 -3.016 -3.593 1.00 0.00 N ATOM 475 CA SER A 35 -8.254 -3.128 -4.323 1.00 0.00 C ATOM 476 C SER A 35 -8.115 -2.084 -5.453 1.00 0.00 C ATOM 477 O SER A 35 -9.098 -1.551 -5.981 1.00 0.00 O ATOM 478 CB SER A 35 -8.081 -4.564 -4.840 1.00 0.00 C ATOM 479 OG SER A 35 -9.162 -4.964 -5.675 1.00 0.00 O ATOM 0 H SER A 35 -10.253 -3.619 -3.970 1.00 0.00 H new ATOM 0 HA SER A 35 -7.446 -2.905 -3.626 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.146 -4.639 -5.396 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.004 -5.247 -3.994 1.00 0.00 H new ATOM 0 HG SER A 35 -9.014 -5.882 -5.985 1.00 0.00 H new ATOM 485 N GLY A 36 -6.865 -1.772 -5.809 1.00 0.00 N ATOM 486 CA GLY A 36 -6.477 -0.764 -6.800 1.00 0.00 C ATOM 487 C GLY A 36 -5.031 -0.927 -7.264 1.00 0.00 C ATOM 488 O GLY A 36 -4.309 -1.816 -6.797 1.00 0.00 O ATOM 0 H GLY A 36 -6.058 -2.238 -5.394 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.141 -0.831 -7.661 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.608 0.230 -6.373 1.00 0.00 H new ATOM 492 N VAL A 37 -4.606 -0.060 -8.183 1.00 0.00 N ATOM 493 CA VAL A 37 -3.250 -0.072 -8.758 1.00 0.00 C ATOM 494 C VAL A 37 -2.574 1.280 -8.523 1.00 0.00 C ATOM 495 O VAL A 37 -2.965 2.300 -9.089 1.00 0.00 O ATOM 496 CB VAL A 37 -3.277 -0.445 -10.257 1.00 0.00 C ATOM 497 CG1 VAL A 37 -1.861 -0.463 -10.850 1.00 0.00 C ATOM 498 CG2 VAL A 37 -3.911 -1.829 -10.482 1.00 0.00 C ATOM 0 H VAL A 37 -5.197 0.682 -8.557 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.664 -0.841 -8.254 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.877 0.317 -10.755 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.912 -0.729 -11.906 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.410 0.524 -10.746 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.254 -1.197 -10.320 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.914 -2.059 -11.547 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.334 -2.585 -9.949 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.935 -1.825 -10.109 1.00 0.00 H new ATOM 508 N MET A 38 -1.537 1.263 -7.687 1.00 0.00 N ATOM 509 CA MET A 38 -0.687 2.407 -7.353 1.00 0.00 C ATOM 510 C MET A 38 0.352 2.610 -8.458 1.00 0.00 C ATOM 511 O MET A 38 0.890 1.643 -9.001 1.00 0.00 O ATOM 512 CB MET A 38 -0.015 2.133 -5.997 1.00 0.00 C ATOM 513 CG MET A 38 0.652 3.366 -5.379 1.00 0.00 C ATOM 514 SD MET A 38 -0.493 4.658 -4.822 1.00 0.00 S ATOM 515 CE MET A 38 -1.099 3.921 -3.280 1.00 0.00 C ATOM 0 H MET A 38 -1.253 0.412 -7.201 1.00 0.00 H new ATOM 0 HA MET A 38 -1.278 3.320 -7.277 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.762 1.749 -5.303 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.734 1.351 -6.124 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.256 3.046 -4.530 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.334 3.797 -6.112 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.454 4.708 -2.615 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.917 3.236 -3.501 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.290 3.375 -2.795 1.00 0.00 H new ATOM 525 N GLU A 39 0.639 3.861 -8.795 1.00 0.00 N ATOM 526 CA GLU A 39 1.516 4.224 -9.905 1.00 0.00 C ATOM 527 C GLU A 39 2.255 5.533 -9.606 1.00 0.00 C ATOM 528 O GLU A 39 1.648 6.559 -9.298 1.00 0.00 O ATOM 529 CB GLU A 39 0.672 4.296 -11.184 1.00 0.00 C ATOM 530 CG GLU A 39 1.482 4.654 -12.433 1.00 0.00 C ATOM 531 CD GLU A 39 0.611 4.459 -13.676 1.00 0.00 C ATOM 532 OE1 GLU A 39 -0.114 5.402 -14.065 1.00 0.00 O ATOM 533 OE2 GLU A 39 0.619 3.340 -14.238 1.00 0.00 O ATOM 0 H GLU A 39 0.263 4.668 -8.297 1.00 0.00 H new ATOM 0 HA GLU A 39 2.290 3.469 -10.045 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.183 3.335 -11.341 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.117 5.036 -11.048 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.825 5.687 -12.374 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.371 4.026 -12.496 1.00 0.00 H new ATOM 540 N LEU A 40 3.584 5.496 -9.692 1.00 0.00 N ATOM 541 CA LEU A 40 4.456 6.624 -9.365 1.00 0.00 C ATOM 542 C LEU A 40 5.144 7.119 -10.643 1.00 0.00 C ATOM 543 O LEU A 40 6.067 6.474 -11.147 1.00 0.00 O ATOM 544 CB LEU A 40 5.468 6.202 -8.278 1.00 0.00 C ATOM 545 CG LEU A 40 4.942 6.253 -6.829 1.00 0.00 C ATOM 546 CD1 LEU A 40 3.992 5.098 -6.478 1.00 0.00 C ATOM 547 CD2 LEU A 40 6.118 6.246 -5.840 1.00 0.00 C ATOM 0 H LEU A 40 4.094 4.667 -9.996 1.00 0.00 H new ATOM 0 HA LEU A 40 3.873 7.452 -8.960 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.801 5.186 -8.490 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.344 6.846 -8.351 1.00 0.00 H new ATOM 0 HG LEU A 40 4.370 7.178 -6.750 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.662 5.199 -5.444 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.126 5.126 -7.139 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.513 4.148 -6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.736 6.282 -4.820 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.703 5.336 -5.976 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.751 7.115 -6.021 1.00 0.00 H new ATOM 559 N THR A 41 4.689 8.265 -11.166 1.00 0.00 N ATOM 560 CA THR A 41 5.293 8.932 -12.336 1.00 0.00 C ATOM 561 C THR A 41 6.343 9.932 -11.859 1.00 0.00 C ATOM 562 O THR A 41 6.437 10.214 -10.667 1.00 0.00 O ATOM 563 CB THR A 41 4.237 9.596 -13.239 1.00 0.00 C ATOM 564 OG1 THR A 41 3.791 10.807 -12.667 1.00 0.00 O ATOM 565 CG2 THR A 41 3.041 8.679 -13.517 1.00 0.00 C ATOM 0 H THR A 41 3.883 8.763 -10.788 1.00 0.00 H new ATOM 0 HA THR A 41 5.778 8.176 -12.954 1.00 0.00 H new ATOM 0 HB THR A 41 4.721 9.798 -14.194 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.121 11.218 -13.253 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.327 9.196 -14.158 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.385 7.773 -14.015 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.559 8.415 -12.576 1.00 0.00 H new ATOM 573 N GLN A 42 7.124 10.504 -12.777 1.00 0.00 N ATOM 574 CA GLN A 42 8.044 11.598 -12.443 1.00 0.00 C ATOM 575 C GLN A 42 7.297 12.927 -12.181 1.00 0.00 C ATOM 576 O GLN A 42 7.895 13.887 -11.697 1.00 0.00 O ATOM 577 CB GLN A 42 9.115 11.708 -13.548 1.00 0.00 C ATOM 578 CG GLN A 42 10.358 12.512 -13.120 1.00 0.00 C ATOM 579 CD GLN A 42 11.447 12.569 -14.198 1.00 0.00 C ATOM 580 OE1 GLN A 42 11.679 11.634 -14.956 1.00 0.00 O ATOM 581 NE2 GLN A 42 12.164 13.671 -14.314 1.00 0.00 N ATOM 0 H GLN A 42 7.139 10.229 -13.759 1.00 0.00 H new ATOM 0 HA GLN A 42 8.548 11.373 -11.503 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.424 10.706 -13.844 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.673 12.178 -14.426 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.055 13.528 -12.866 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.775 12.068 -12.216 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.988 14.462 -13.694 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.894 13.732 -15.024 1.00 0.00 H new ATOM 590 N SER A 43 5.989 12.997 -12.450 1.00 0.00 N ATOM 591 CA SER A 43 5.174 14.201 -12.243 1.00 0.00 C ATOM 592 C SER A 43 4.434 14.187 -10.893 1.00 0.00 C ATOM 593 O SER A 43 4.476 15.188 -10.172 1.00 0.00 O ATOM 594 CB SER A 43 4.187 14.366 -13.408 1.00 0.00 C ATOM 595 OG SER A 43 4.851 14.490 -14.664 1.00 0.00 O ATOM 0 H SER A 43 5.459 12.209 -12.823 1.00 0.00 H new ATOM 0 HA SER A 43 5.848 15.057 -12.216 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.516 13.508 -13.437 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.570 15.248 -13.237 1.00 0.00 H new ATOM 0 HG SER A 43 4.186 14.591 -15.377 1.00 0.00 H new ATOM 601 N GLU A 44 3.790 13.072 -10.515 1.00 0.00 N ATOM 602 CA GLU A 44 3.061 12.925 -9.254 1.00 0.00 C ATOM 603 C GLU A 44 2.803 11.454 -8.871 1.00 0.00 C ATOM 604 O GLU A 44 3.012 10.530 -9.664 1.00 0.00 O ATOM 605 CB GLU A 44 1.736 13.707 -9.325 1.00 0.00 C ATOM 606 CG GLU A 44 0.726 13.174 -10.347 1.00 0.00 C ATOM 607 CD GLU A 44 1.018 13.574 -11.801 1.00 0.00 C ATOM 608 OE1 GLU A 44 1.019 14.790 -12.106 1.00 0.00 O ATOM 609 OE2 GLU A 44 1.195 12.674 -12.655 1.00 0.00 O ATOM 0 H GLU A 44 3.763 12.232 -11.093 1.00 0.00 H new ATOM 0 HA GLU A 44 3.693 13.338 -8.468 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.272 13.698 -8.339 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.957 14.747 -9.563 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.701 12.086 -10.281 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.268 13.532 -10.078 1.00 0.00 H new ATOM 616 N LEU A 45 2.274 11.239 -7.660 1.00 0.00 N ATOM 617 CA LEU A 45 1.754 9.945 -7.233 1.00 0.00 C ATOM 618 C LEU A 45 0.346 9.781 -7.830 1.00 0.00 C ATOM 619 O LEU A 45 -0.467 10.700 -7.726 1.00 0.00 O ATOM 620 CB LEU A 45 1.716 9.886 -5.686 1.00 0.00 C ATOM 621 CG LEU A 45 2.140 8.531 -5.088 1.00 0.00 C ATOM 622 CD1 LEU A 45 1.857 8.488 -3.582 1.00 0.00 C ATOM 623 CD2 LEU A 45 1.471 7.337 -5.771 1.00 0.00 C ATOM 0 H LEU A 45 2.197 11.966 -6.949 1.00 0.00 H new ATOM 0 HA LEU A 45 2.392 9.133 -7.581 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.368 10.664 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.705 10.116 -5.351 1.00 0.00 H new ATOM 0 HG LEU A 45 3.212 8.446 -5.265 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.164 7.522 -3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.415 9.281 -3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.790 8.630 -3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.811 6.413 -5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.389 7.418 -5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.735 7.328 -6.828 1.00 0.00 H new ATOM 635 N VAL A 46 0.043 8.633 -8.435 1.00 0.00 N ATOM 636 CA VAL A 46 -1.254 8.314 -9.054 1.00 0.00 C ATOM 637 C VAL A 46 -1.788 7.008 -8.457 1.00 0.00 C ATOM 638 O VAL A 46 -1.033 6.069 -8.208 1.00 0.00 O ATOM 639 CB VAL A 46 -1.137 8.187 -10.596 1.00 0.00 C ATOM 640 CG1 VAL A 46 -2.522 8.027 -11.254 1.00 0.00 C ATOM 641 CG2 VAL A 46 -0.437 9.402 -11.230 1.00 0.00 C ATOM 0 H VAL A 46 0.714 7.869 -8.513 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.945 9.130 -8.845 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.535 7.296 -10.776 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.404 7.941 -12.334 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.006 7.130 -10.869 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.137 8.898 -11.025 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.379 9.266 -12.310 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.005 10.306 -11.008 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.569 9.496 -10.822 1.00 0.00 H new ATOM 651 N LEU A 47 -3.103 6.934 -8.250 1.00 0.00 N ATOM 652 CA LEU A 47 -3.807 5.726 -7.828 1.00 0.00 C ATOM 653 C LEU A 47 -5.002 5.504 -8.756 1.00 0.00 C ATOM 654 O LEU A 47 -5.880 6.362 -8.873 1.00 0.00 O ATOM 655 CB LEU A 47 -4.232 5.872 -6.354 1.00 0.00 C ATOM 656 CG LEU A 47 -4.289 4.572 -5.522 1.00 0.00 C ATOM 657 CD1 LEU A 47 -5.092 4.825 -4.243 1.00 0.00 C ATOM 658 CD2 LEU A 47 -4.878 3.346 -6.228 1.00 0.00 C ATOM 0 H LEU A 47 -3.723 7.734 -8.375 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.160 4.852 -7.896 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.541 6.559 -5.866 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.217 6.338 -6.327 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.246 4.324 -5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.134 3.909 -3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.610 5.610 -3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.104 5.136 -4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.867 2.494 -5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.904 3.557 -6.528 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.282 3.113 -7.111 1.00 0.00 H new ATOM 670 N HIS A 48 -5.024 4.345 -9.406 1.00 0.00 N ATOM 671 CA HIS A 48 -6.115 3.865 -10.248 1.00 0.00 C ATOM 672 C HIS A 48 -7.038 2.942 -9.428 1.00 0.00 C ATOM 673 O HIS A 48 -6.601 1.890 -8.940 1.00 0.00 O ATOM 674 CB HIS A 48 -5.507 3.143 -11.459 1.00 0.00 C ATOM 675 CG HIS A 48 -4.598 4.010 -12.292 1.00 0.00 C ATOM 676 ND1 HIS A 48 -5.024 4.940 -13.243 1.00 0.00 N ATOM 677 CD2 HIS A 48 -3.233 4.006 -12.255 1.00 0.00 C ATOM 678 CE1 HIS A 48 -3.902 5.469 -13.758 1.00 0.00 C ATOM 679 NE2 HIS A 48 -2.812 4.926 -13.191 1.00 0.00 N ATOM 0 H HIS A 48 -4.248 3.685 -9.358 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.725 4.694 -10.607 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.946 2.276 -11.109 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.314 2.768 -12.089 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.606 3.401 -11.617 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.879 6.229 -14.525 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.843 5.154 -13.414 1.00 0.00 H new ATOM 687 N LEU A 49 -8.299 3.351 -9.260 1.00 0.00 N ATOM 688 CA LEU A 49 -9.317 2.659 -8.462 1.00 0.00 C ATOM 689 C LEU A 49 -10.304 1.928 -9.387 1.00 0.00 C ATOM 690 O LEU A 49 -10.756 2.481 -10.389 1.00 0.00 O ATOM 691 CB LEU A 49 -10.077 3.683 -7.586 1.00 0.00 C ATOM 692 CG LEU A 49 -9.382 4.328 -6.369 1.00 0.00 C ATOM 693 CD1 LEU A 49 -8.850 3.260 -5.407 1.00 0.00 C ATOM 694 CD2 LEU A 49 -8.309 5.357 -6.746 1.00 0.00 C ATOM 0 H LEU A 49 -8.653 4.205 -9.692 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.829 1.927 -7.818 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.400 4.492 -8.241 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.978 3.190 -7.220 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.149 4.899 -5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.365 3.743 -4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.678 2.647 -5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.128 2.629 -5.926 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.864 5.768 -5.840 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.535 4.874 -7.343 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.764 6.162 -7.324 1.00 0.00 H new ATOM 786 N ALA A 54 -9.377 7.949 -11.305 1.00 0.00 N ATOM 787 CA ALA A 54 -8.008 7.930 -10.786 1.00 0.00 C ATOM 788 C ALA A 54 -7.731 9.170 -9.912 1.00 0.00 C ATOM 789 O ALA A 54 -8.192 10.271 -10.225 1.00 0.00 O ATOM 790 CB ALA A 54 -7.029 7.820 -11.963 1.00 0.00 C ATOM 0 HA ALA A 54 -7.871 7.062 -10.141 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.007 7.805 -11.586 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.225 6.901 -12.515 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.159 8.676 -12.625 1.00 0.00 H new ATOM 796 N VAL A 55 -6.965 8.998 -8.832 1.00 0.00 N ATOM 797 CA VAL A 55 -6.673 10.054 -7.838 1.00 0.00 C ATOM 798 C VAL A 55 -5.180 10.376 -7.820 1.00 0.00 C ATOM 799 O VAL A 55 -4.349 9.473 -7.751 1.00 0.00 O ATOM 800 CB VAL A 55 -7.179 9.680 -6.426 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.819 10.760 -5.393 1.00 0.00 C ATOM 802 CG2 VAL A 55 -8.709 9.530 -6.422 1.00 0.00 C ATOM 0 H VAL A 55 -6.518 8.108 -8.613 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.217 10.948 -8.142 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.697 8.739 -6.161 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.190 10.463 -4.412 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.736 10.877 -5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.275 11.707 -5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.046 9.267 -5.419 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.168 10.472 -6.723 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.999 8.745 -7.120 1.00 0.00 H new ATOM 812 N ARG A 56 -4.860 11.674 -7.892 1.00 0.00 N ATOM 813 CA ARG A 56 -3.502 12.206 -8.032 1.00 0.00 C ATOM 814 C ARG A 56 -3.082 13.036 -6.811 1.00 0.00 C ATOM 815 O ARG A 56 -3.830 13.909 -6.364 1.00 0.00 O ATOM 816 CB ARG A 56 -3.461 13.080 -9.294 1.00 0.00 C ATOM 817 CG ARG A 56 -3.666 12.258 -10.579 1.00 0.00 C ATOM 818 CD ARG A 56 -4.053 13.137 -11.771 1.00 0.00 C ATOM 819 NE ARG A 56 -5.424 13.662 -11.629 1.00 0.00 N ATOM 820 CZ ARG A 56 -6.497 13.360 -12.350 1.00 0.00 C ATOM 821 NH1 ARG A 56 -6.466 12.525 -13.368 1.00 0.00 N ATOM 822 NH2 ARG A 56 -7.641 13.919 -12.028 1.00 0.00 N ATOM 0 H ARG A 56 -5.567 12.408 -7.853 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.803 11.373 -8.109 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.233 13.846 -9.228 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.503 13.597 -9.345 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.749 11.716 -10.812 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.444 11.513 -10.412 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.351 13.966 -11.857 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.977 12.559 -12.692 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.566 14.343 -10.883 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.589 12.077 -13.634 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.319 12.326 -13.891 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.689 14.567 -11.242 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.482 13.705 -12.564 1.00 0.00 H new ATOM 836 N TRP A 57 -1.855 12.820 -6.330 1.00 0.00 N ATOM 837 CA TRP A 57 -1.220 13.589 -5.253 1.00 0.00 C ATOM 838 C TRP A 57 0.190 14.063 -5.673 1.00 0.00 C ATOM 839 O TRP A 57 1.090 13.225 -5.789 1.00 0.00 O ATOM 840 CB TRP A 57 -1.155 12.730 -3.980 1.00 0.00 C ATOM 841 CG TRP A 57 -2.475 12.325 -3.397 1.00 0.00 C ATOM 842 CD1 TRP A 57 -3.326 13.146 -2.748 1.00 0.00 C ATOM 843 CD2 TRP A 57 -3.111 11.007 -3.386 1.00 0.00 C ATOM 844 NE1 TRP A 57 -4.438 12.442 -2.336 1.00 0.00 N ATOM 845 CE2 TRP A 57 -4.349 11.110 -2.680 1.00 0.00 C ATOM 846 CE3 TRP A 57 -2.760 9.734 -3.889 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -5.189 10.005 -2.472 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -3.602 8.623 -3.692 1.00 0.00 C ATOM 849 CH2 TRP A 57 -4.814 8.753 -2.988 1.00 0.00 C ATOM 0 H TRP A 57 -1.254 12.079 -6.691 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.818 14.478 -5.050 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.585 11.828 -4.202 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -0.598 13.280 -3.222 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.161 14.199 -2.576 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -5.227 12.855 -1.839 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.834 9.612 -4.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -6.112 10.116 -1.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.315 7.659 -4.086 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.453 7.894 -2.845 1.00 0.00 H new ATOM 860 N PRO A 58 0.412 15.377 -5.906 1.00 0.00 N ATOM 861 CA PRO A 58 1.731 15.909 -6.233 1.00 0.00 C ATOM 862 C PRO A 58 2.684 15.747 -5.054 1.00 0.00 C ATOM 863 O PRO A 58 2.316 15.982 -3.904 1.00 0.00 O ATOM 864 CB PRO A 58 1.533 17.380 -6.603 1.00 0.00 C ATOM 865 CG PRO A 58 0.204 17.759 -5.963 1.00 0.00 C ATOM 866 CD PRO A 58 -0.578 16.448 -5.902 1.00 0.00 C ATOM 0 HA PRO A 58 2.181 15.368 -7.066 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.347 17.998 -6.223 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.506 17.517 -7.684 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.348 18.182 -4.969 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.322 18.508 -6.555 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.193 16.404 -5.003 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.251 16.358 -6.754 1.00 0.00 H new ATOM 874 N TYR A 59 3.924 15.361 -5.352 1.00 0.00 N ATOM 875 CA TYR A 59 4.934 15.036 -4.335 1.00 0.00 C ATOM 876 C TYR A 59 5.300 16.225 -3.430 1.00 0.00 C ATOM 877 O TYR A 59 5.586 16.043 -2.247 1.00 0.00 O ATOM 878 CB TYR A 59 6.184 14.484 -5.033 1.00 0.00 C ATOM 879 CG TYR A 59 5.978 13.208 -5.828 1.00 0.00 C ATOM 880 CD1 TYR A 59 5.309 12.116 -5.247 1.00 0.00 C ATOM 881 CD2 TYR A 59 6.482 13.096 -7.139 1.00 0.00 C ATOM 882 CE1 TYR A 59 5.150 10.919 -5.962 1.00 0.00 C ATOM 883 CE2 TYR A 59 6.323 11.896 -7.859 1.00 0.00 C ATOM 884 CZ TYR A 59 5.658 10.797 -7.267 1.00 0.00 C ATOM 885 OH TYR A 59 5.480 9.625 -7.934 1.00 0.00 O ATOM 0 H TYR A 59 4.262 15.263 -6.309 1.00 0.00 H new ATOM 0 HA TYR A 59 4.502 14.285 -3.674 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.573 15.250 -5.703 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.950 14.302 -4.279 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.915 12.199 -4.245 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.992 13.933 -7.593 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.634 10.086 -5.507 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.709 11.815 -8.864 1.00 0.00 H new ATOM 0 HH TYR A 59 5.774 9.729 -8.863 1.00 0.00 H new ATOM 895 N LEU A 60 5.205 17.450 -3.957 1.00 0.00 N ATOM 896 CA LEU A 60 5.378 18.697 -3.201 1.00 0.00 C ATOM 897 C LEU A 60 4.235 18.980 -2.204 1.00 0.00 C ATOM 898 O LEU A 60 4.438 19.748 -1.265 1.00 0.00 O ATOM 899 CB LEU A 60 5.655 19.879 -4.148 1.00 0.00 C ATOM 900 CG LEU A 60 4.647 20.017 -5.305 1.00 0.00 C ATOM 901 CD1 LEU A 60 4.321 21.492 -5.564 1.00 0.00 C ATOM 902 CD2 LEU A 60 5.202 19.377 -6.587 1.00 0.00 C ATOM 0 H LEU A 60 5.001 17.607 -4.944 1.00 0.00 H new ATOM 0 HA LEU A 60 6.259 18.565 -2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.652 20.802 -3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.656 19.768 -4.565 1.00 0.00 H new ATOM 0 HG LEU A 60 3.733 19.497 -5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.608 21.568 -6.385 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.889 21.932 -4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.234 22.026 -5.826 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.475 19.485 -7.392 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.131 19.873 -6.868 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.394 18.319 -6.412 1.00 0.00 H new ATOM 914 N CYS A 61 3.074 18.325 -2.351 1.00 0.00 N ATOM 915 CA CYS A 61 1.984 18.342 -1.359 1.00 0.00 C ATOM 916 C CYS A 61 1.996 17.141 -0.387 1.00 0.00 C ATOM 917 O CYS A 61 1.061 17.006 0.406 1.00 0.00 O ATOM 918 CB CYS A 61 0.635 18.477 -2.084 1.00 0.00 C ATOM 919 SG CYS A 61 0.526 20.101 -2.897 1.00 0.00 S ATOM 0 H CYS A 61 2.861 17.760 -3.173 1.00 0.00 H new ATOM 0 HA CYS A 61 2.145 19.210 -0.720 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.529 17.683 -2.823 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.183 18.361 -1.373 1.00 0.00 H new ATOM 0 HG CYS A 61 -0.616 20.204 -3.509 1.00 0.00 H new ATOM 925 N LEU A 62 3.021 16.276 -0.415 1.00 0.00 N ATOM 926 CA LEU A 62 3.209 15.195 0.563 1.00 0.00 C ATOM 927 C LEU A 62 4.186 15.648 1.657 1.00 0.00 C ATOM 928 O LEU A 62 5.396 15.717 1.428 1.00 0.00 O ATOM 929 CB LEU A 62 3.707 13.914 -0.134 1.00 0.00 C ATOM 930 CG LEU A 62 2.781 13.339 -1.224 1.00 0.00 C ATOM 931 CD1 LEU A 62 3.417 12.063 -1.787 1.00 0.00 C ATOM 932 CD2 LEU A 62 1.381 13.010 -0.697 1.00 0.00 C ATOM 0 H LEU A 62 3.751 16.308 -1.126 1.00 0.00 H new ATOM 0 HA LEU A 62 2.251 14.965 1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.679 14.121 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.863 13.147 0.625 1.00 0.00 H new ATOM 0 HG LEU A 62 2.666 14.100 -1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.772 11.645 -2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.390 12.300 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.542 11.335 -0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.772 12.609 -1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.457 12.271 0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.916 13.916 -0.309 1.00 0.00 H new ATOM 944 N ARG A 63 3.670 15.950 2.854 1.00 0.00 N ATOM 945 CA ARG A 63 4.492 16.443 3.975 1.00 0.00 C ATOM 946 C ARG A 63 5.268 15.320 4.680 1.00 0.00 C ATOM 947 O ARG A 63 6.335 15.578 5.242 1.00 0.00 O ATOM 948 CB ARG A 63 3.626 17.215 4.986 1.00 0.00 C ATOM 949 CG ARG A 63 2.966 18.459 4.362 1.00 0.00 C ATOM 950 CD ARG A 63 1.963 19.139 5.301 1.00 0.00 C ATOM 951 NE ARG A 63 2.607 19.704 6.503 1.00 0.00 N ATOM 952 CZ ARG A 63 2.230 19.534 7.767 1.00 0.00 C ATOM 953 NH1 ARG A 63 1.285 18.690 8.124 1.00 0.00 N ATOM 954 NH2 ARG A 63 2.815 20.233 8.715 1.00 0.00 N ATOM 0 H ARG A 63 2.678 15.862 3.076 1.00 0.00 H new ATOM 0 HA ARG A 63 5.231 17.120 3.547 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.853 16.554 5.377 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.243 17.519 5.831 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.740 19.175 4.087 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.457 18.171 3.442 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.447 19.933 4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.206 18.416 5.604 1.00 0.00 H new ATOM 0 HE ARG A 63 3.429 20.287 6.348 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.807 18.131 7.417 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.031 18.595 9.107 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.551 20.898 8.478 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.533 20.110 9.687 1.00 0.00 H new ATOM 968 N ARG A 64 4.766 14.078 4.621 1.00 0.00 N ATOM 969 CA ARG A 64 5.407 12.873 5.174 1.00 0.00 C ATOM 970 C ARG A 64 4.818 11.586 4.593 1.00 0.00 C ATOM 971 O ARG A 64 3.647 11.527 4.211 1.00 0.00 O ATOM 972 CB ARG A 64 5.368 12.856 6.719 1.00 0.00 C ATOM 973 CG ARG A 64 3.953 12.756 7.304 1.00 0.00 C ATOM 974 CD ARG A 64 3.970 12.953 8.829 1.00 0.00 C ATOM 975 NE ARG A 64 2.604 13.043 9.379 1.00 0.00 N ATOM 976 CZ ARG A 64 1.749 14.046 9.202 1.00 0.00 C ATOM 977 NH1 ARG A 64 2.084 15.139 8.552 1.00 0.00 N ATOM 978 NH2 ARG A 64 0.524 13.959 9.668 1.00 0.00 N ATOM 0 H ARG A 64 3.873 13.876 4.172 1.00 0.00 H new ATOM 0 HA ARG A 64 6.453 12.915 4.872 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.960 12.014 7.078 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.843 13.762 7.095 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.312 13.508 6.844 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.525 11.783 7.065 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.498 12.123 9.298 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.522 13.861 9.073 1.00 0.00 H new ATOM 0 HE ARG A 64 2.285 12.260 9.950 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.023 15.235 8.166 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.404 15.890 8.433 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.227 13.121 10.167 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.130 14.730 9.531 1.00 0.00 H new ATOM 992 N TYR A 65 5.640 10.545 4.563 1.00 0.00 N ATOM 993 CA TYR A 65 5.342 9.221 4.013 1.00 0.00 C ATOM 994 C TYR A 65 6.169 8.152 4.733 1.00 0.00 C ATOM 995 O TYR A 65 7.261 8.427 5.229 1.00 0.00 O ATOM 996 CB TYR A 65 5.607 9.203 2.501 1.00 0.00 C ATOM 997 CG TYR A 65 7.016 9.614 2.117 1.00 0.00 C ATOM 998 CD1 TYR A 65 8.052 8.659 2.050 1.00 0.00 C ATOM 999 CD2 TYR A 65 7.291 10.965 1.841 1.00 0.00 C ATOM 1000 CE1 TYR A 65 9.365 9.055 1.729 1.00 0.00 C ATOM 1001 CE2 TYR A 65 8.601 11.363 1.532 1.00 0.00 C ATOM 1002 CZ TYR A 65 9.646 10.418 1.488 1.00 0.00 C ATOM 1003 OH TYR A 65 10.914 10.832 1.219 1.00 0.00 O ATOM 0 H TYR A 65 6.585 10.601 4.942 1.00 0.00 H new ATOM 0 HA TYR A 65 4.287 8.997 4.173 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.416 8.199 2.121 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.898 9.870 2.010 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.837 7.619 2.246 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.496 11.695 1.867 1.00 0.00 H new ATOM 0 HE1 TYR A 65 10.154 8.320 1.667 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.810 12.402 1.326 1.00 0.00 H new ATOM 0 HH TYR A 65 11.101 11.656 1.716 1.00 0.00 H new ATOM 1013 N GLY A 66 5.636 6.939 4.820 1.00 0.00 N ATOM 1014 CA GLY A 66 6.194 5.870 5.635 1.00 0.00 C ATOM 1015 C GLY A 66 5.712 4.489 5.233 1.00 0.00 C ATOM 1016 O GLY A 66 4.813 4.323 4.407 1.00 0.00 O ATOM 0 H GLY A 66 4.791 6.668 4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.281 5.901 5.566 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.935 6.047 6.679 1.00 0.00 H new ATOM 1020 N TYR A 67 6.315 3.478 5.844 1.00 0.00 N ATOM 1021 CA TYR A 67 6.080 2.086 5.477 1.00 0.00 C ATOM 1022 C TYR A 67 6.379 1.118 6.627 1.00 0.00 C ATOM 1023 O TYR A 67 7.246 1.345 7.476 1.00 0.00 O ATOM 1024 CB TYR A 67 6.845 1.732 4.187 1.00 0.00 C ATOM 1025 CG TYR A 67 8.299 1.338 4.372 1.00 0.00 C ATOM 1026 CD1 TYR A 67 9.236 2.268 4.864 1.00 0.00 C ATOM 1027 CD2 TYR A 67 8.714 0.027 4.065 1.00 0.00 C ATOM 1028 CE1 TYR A 67 10.579 1.893 5.060 1.00 0.00 C ATOM 1029 CE2 TYR A 67 10.050 -0.361 4.276 1.00 0.00 C ATOM 1030 CZ TYR A 67 10.989 0.573 4.768 1.00 0.00 C ATOM 1031 OH TYR A 67 12.286 0.197 4.955 1.00 0.00 O ATOM 0 H TYR A 67 6.980 3.598 6.608 1.00 0.00 H new ATOM 0 HA TYR A 67 5.016 1.970 5.271 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.325 0.912 3.692 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.802 2.589 3.514 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.922 3.276 5.092 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.004 -0.683 3.666 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.293 2.612 5.432 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.358 -1.374 4.062 1.00 0.00 H new ATOM 0 HH TYR A 67 12.393 -0.745 4.705 1.00 0.00 H new ATOM 1041 N ASP A 68 5.624 0.032 6.636 1.00 0.00 N ATOM 1042 CA ASP A 68 5.797 -1.127 7.512 1.00 0.00 C ATOM 1043 C ASP A 68 6.000 -2.419 6.688 1.00 0.00 C ATOM 1044 O ASP A 68 6.053 -2.379 5.458 1.00 0.00 O ATOM 1045 CB ASP A 68 4.608 -1.207 8.485 1.00 0.00 C ATOM 1046 CG ASP A 68 5.077 -1.600 9.890 1.00 0.00 C ATOM 1047 OD1 ASP A 68 5.408 -2.792 10.088 1.00 0.00 O ATOM 1048 OD2 ASP A 68 5.133 -0.704 10.768 1.00 0.00 O ATOM 0 H ASP A 68 4.832 -0.076 6.002 1.00 0.00 H new ATOM 0 HA ASP A 68 6.703 -1.013 8.107 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.099 -0.244 8.523 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.884 -1.936 8.122 1.00 0.00 H new ATOM 1053 N SER A 69 6.128 -3.573 7.346 1.00 0.00 N ATOM 1054 CA SER A 69 6.542 -4.838 6.706 1.00 0.00 C ATOM 1055 C SER A 69 5.612 -5.342 5.581 1.00 0.00 C ATOM 1056 O SER A 69 6.047 -6.097 4.708 1.00 0.00 O ATOM 1057 CB SER A 69 6.691 -5.936 7.771 1.00 0.00 C ATOM 1058 OG SER A 69 7.639 -5.561 8.767 1.00 0.00 O ATOM 0 H SER A 69 5.947 -3.664 8.346 1.00 0.00 H new ATOM 0 HA SER A 69 7.494 -4.615 6.224 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.725 -6.127 8.238 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.006 -6.866 7.297 1.00 0.00 H new ATOM 0 HG SER A 69 7.714 -6.276 9.433 1.00 0.00 H new ATOM 1064 N ASN A 70 4.347 -4.900 5.568 1.00 0.00 N ATOM 1065 CA ASN A 70 3.320 -5.239 4.570 1.00 0.00 C ATOM 1066 C ASN A 70 2.365 -4.050 4.297 1.00 0.00 C ATOM 1067 O ASN A 70 1.237 -4.244 3.832 1.00 0.00 O ATOM 1068 CB ASN A 70 2.529 -6.484 5.035 1.00 0.00 C ATOM 1069 CG ASN A 70 3.376 -7.718 5.307 1.00 0.00 C ATOM 1070 OD1 ASN A 70 3.936 -7.898 6.384 1.00 0.00 O ATOM 1071 ND2 ASN A 70 3.441 -8.637 4.367 1.00 0.00 N ATOM 0 H ASN A 70 3.994 -4.267 6.286 1.00 0.00 H new ATOM 0 HA ASN A 70 3.824 -5.465 3.630 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.981 -6.230 5.943 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.788 -6.730 4.274 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.958 -9.501 4.533 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.975 -8.485 3.473 1.00 0.00 H new ATOM 1078 N LEU A 71 2.777 -2.817 4.622 1.00 0.00 N ATOM 1079 CA LEU A 71 1.907 -1.635 4.666 1.00 0.00 C ATOM 1080 C LEU A 71 2.643 -0.376 4.193 1.00 0.00 C ATOM 1081 O LEU A 71 3.807 -0.173 4.524 1.00 0.00 O ATOM 1082 CB LEU A 71 1.420 -1.486 6.126 1.00 0.00 C ATOM 1083 CG LEU A 71 0.195 -0.578 6.331 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -1.081 -1.247 5.803 1.00 0.00 C ATOM 1085 CD2 LEU A 71 0.010 -0.283 7.827 1.00 0.00 C ATOM 0 H LEU A 71 3.745 -2.610 4.867 1.00 0.00 H new ATOM 0 HA LEU A 71 1.061 -1.761 3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.184 -2.477 6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.242 -1.097 6.726 1.00 0.00 H new ATOM 0 HG LEU A 71 0.368 0.347 5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.931 -0.584 5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.971 -1.450 4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.248 -2.183 6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.859 0.360 7.966 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.141 -1.218 8.366 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.898 0.218 8.212 1.00 0.00 H new ATOM 1097 N PHE A 72 1.957 0.486 3.448 1.00 0.00 N ATOM 1098 CA PHE A 72 2.473 1.744 2.910 1.00 0.00 C ATOM 1099 C PHE A 72 1.494 2.876 3.237 1.00 0.00 C ATOM 1100 O PHE A 72 0.301 2.762 2.963 1.00 0.00 O ATOM 1101 CB PHE A 72 2.666 1.581 1.394 1.00 0.00 C ATOM 1102 CG PHE A 72 3.019 2.864 0.670 1.00 0.00 C ATOM 1103 CD1 PHE A 72 4.239 3.514 0.940 1.00 0.00 C ATOM 1104 CD2 PHE A 72 2.117 3.419 -0.258 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.548 4.725 0.294 1.00 0.00 C ATOM 1106 CE2 PHE A 72 2.431 4.622 -0.910 1.00 0.00 C ATOM 1107 CZ PHE A 72 3.642 5.279 -0.628 1.00 0.00 C ATOM 0 H PHE A 72 0.984 0.321 3.191 1.00 0.00 H new ATOM 0 HA PHE A 72 3.434 1.996 3.359 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.453 0.849 1.216 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.750 1.175 0.964 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.937 3.083 1.643 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.183 2.919 -0.468 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.480 5.228 0.506 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.743 5.043 -1.628 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.877 6.211 -1.121 1.00 0.00 H new ATOM 1117 N SER A 73 1.980 3.966 3.826 1.00 0.00 N ATOM 1118 CA SER A 73 1.134 5.099 4.255 1.00 0.00 C ATOM 1119 C SER A 73 1.750 6.479 3.955 1.00 0.00 C ATOM 1120 O SER A 73 2.971 6.634 3.920 1.00 0.00 O ATOM 1121 CB SER A 73 0.821 4.947 5.751 1.00 0.00 C ATOM 1122 OG SER A 73 -0.100 5.919 6.221 1.00 0.00 O ATOM 0 H SER A 73 2.972 4.098 4.024 1.00 0.00 H new ATOM 0 HA SER A 73 0.215 5.063 3.670 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.417 3.951 5.934 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.747 5.025 6.321 1.00 0.00 H new ATOM 0 HG SER A 73 0.390 6.702 6.548 1.00 0.00 H new ATOM 1128 N PHE A 74 0.909 7.503 3.764 1.00 0.00 N ATOM 1129 CA PHE A 74 1.342 8.887 3.507 1.00 0.00 C ATOM 1130 C PHE A 74 0.285 9.944 3.859 1.00 0.00 C ATOM 1131 O PHE A 74 -0.919 9.685 3.807 1.00 0.00 O ATOM 1132 CB PHE A 74 1.820 9.042 2.050 1.00 0.00 C ATOM 1133 CG PHE A 74 0.774 8.739 0.992 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -0.123 9.739 0.565 1.00 0.00 C ATOM 1135 CD2 PHE A 74 0.700 7.450 0.429 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -1.091 9.449 -0.414 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -0.263 7.163 -0.554 1.00 0.00 C ATOM 1138 CZ PHE A 74 -1.159 8.160 -0.971 1.00 0.00 C ATOM 0 H PHE A 74 -0.105 7.395 3.783 1.00 0.00 H new ATOM 0 HA PHE A 74 2.178 9.075 4.181 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.174 10.063 1.907 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.674 8.384 1.893 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.067 10.730 0.990 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.385 6.680 0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -1.780 10.215 -0.737 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.314 6.176 -0.988 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.903 7.936 -1.722 1.00 0.00 H new ATOM 1148 N GLU A 75 0.758 11.150 4.194 1.00 0.00 N ATOM 1149 CA GLU A 75 -0.051 12.352 4.417 1.00 0.00 C ATOM 1150 C GLU A 75 -0.021 13.248 3.174 1.00 0.00 C ATOM 1151 O GLU A 75 1.023 13.408 2.538 1.00 0.00 O ATOM 1152 CB GLU A 75 0.477 13.129 5.639 1.00 0.00 C ATOM 1153 CG GLU A 75 -0.443 14.291 6.071 1.00 0.00 C ATOM 1154 CD GLU A 75 0.163 15.680 5.840 1.00 0.00 C ATOM 1155 OE1 GLU A 75 0.468 16.035 4.682 1.00 0.00 O ATOM 1156 OE2 GLU A 75 0.337 16.417 6.840 1.00 0.00 O ATOM 0 H GLU A 75 1.755 11.321 4.322 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.080 12.049 4.609 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.596 12.440 6.475 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.466 13.525 5.409 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.383 14.220 5.524 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.680 14.180 7.129 1.00 0.00 H new ATOM 1163 N SER A 76 -1.155 13.863 2.852 1.00 0.00 N ATOM 1164 CA SER A 76 -1.285 14.880 1.806 1.00 0.00 C ATOM 1165 C SER A 76 -1.924 16.173 2.350 1.00 0.00 C ATOM 1166 O SER A 76 -2.772 16.147 3.251 1.00 0.00 O ATOM 1167 CB SER A 76 -2.063 14.311 0.608 1.00 0.00 C ATOM 1168 OG SER A 76 -3.352 13.830 0.969 1.00 0.00 O ATOM 0 H SER A 76 -2.037 13.664 3.324 1.00 0.00 H new ATOM 0 HA SER A 76 -0.287 15.151 1.461 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.168 15.085 -0.152 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.489 13.500 0.160 1.00 0.00 H new ATOM 0 HG SER A 76 -3.806 13.481 0.173 1.00 0.00 H new ATOM 1174 N GLY A 77 -1.484 17.321 1.818 1.00 0.00 N ATOM 1175 CA GLY A 77 -1.841 18.660 2.304 1.00 0.00 C ATOM 1176 C GLY A 77 -3.178 19.196 1.788 1.00 0.00 C ATOM 1177 O GLY A 77 -3.792 18.653 0.869 1.00 0.00 O ATOM 0 H GLY A 77 -0.853 17.344 1.017 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.870 18.640 3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.052 19.356 2.019 1.00 0.00 H new ATOM 1181 N ARG A 78 -3.610 20.328 2.357 1.00 0.00 N ATOM 1182 CA ARG A 78 -4.851 21.045 2.112 1.00 0.00 C ATOM 1183 C ARG A 78 -5.070 21.486 0.648 1.00 0.00 C ATOM 1184 O ARG A 78 -6.210 21.746 0.264 1.00 0.00 O ATOM 1185 CB ARG A 78 -4.730 22.211 3.114 1.00 0.00 C ATOM 1186 CG ARG A 78 -5.685 23.378 2.951 1.00 0.00 C ATOM 1187 CD ARG A 78 -7.162 23.013 3.118 1.00 0.00 C ATOM 1188 NE ARG A 78 -7.507 22.637 4.499 1.00 0.00 N ATOM 1189 CZ ARG A 78 -7.709 23.447 5.534 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -7.602 24.757 5.434 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -8.030 22.941 6.704 1.00 0.00 N ATOM 0 H ARG A 78 -3.044 20.801 3.062 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.738 20.429 2.258 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.862 21.807 4.118 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.713 22.599 3.057 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.428 24.147 3.680 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.541 23.815 1.963 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.777 23.860 2.813 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.404 22.186 2.450 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.602 21.638 4.683 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.357 25.182 4.540 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.765 25.346 6.251 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.123 21.931 6.815 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.186 23.558 7.501 1.00 0.00 H new ATOM 1205 N ARG A 79 -4.012 21.561 -0.172 1.00 0.00 N ATOM 1206 CA ARG A 79 -4.035 22.148 -1.526 1.00 0.00 C ATOM 1207 C ARG A 79 -3.984 21.120 -2.679 1.00 0.00 C ATOM 1208 O ARG A 79 -3.949 21.521 -3.846 1.00 0.00 O ATOM 1209 CB ARG A 79 -2.905 23.194 -1.652 1.00 0.00 C ATOM 1210 CG ARG A 79 -2.891 24.280 -0.556 1.00 0.00 C ATOM 1211 CD ARG A 79 -4.181 25.111 -0.446 1.00 0.00 C ATOM 1212 NE ARG A 79 -4.432 25.929 -1.647 1.00 0.00 N ATOM 1213 CZ ARG A 79 -3.951 27.144 -1.899 1.00 0.00 C ATOM 1214 NH1 ARG A 79 -3.123 27.758 -1.078 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -4.307 27.768 -3.001 1.00 0.00 N ATOM 0 H ARG A 79 -3.092 21.207 0.091 1.00 0.00 H new ATOM 0 HA ARG A 79 -5.007 22.629 -1.638 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.947 22.674 -1.638 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.989 23.681 -2.623 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.702 23.802 0.405 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.057 24.955 -0.746 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.027 24.443 -0.283 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.116 25.762 0.426 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.038 25.521 -2.359 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.829 27.302 -0.214 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.776 28.690 -1.306 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.948 27.320 -3.656 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.942 28.699 -3.200 1.00 0.00 H new ATOM 1229 N CYS A 80 -3.990 19.813 -2.387 1.00 0.00 N ATOM 1230 CA CYS A 80 -4.021 18.735 -3.396 1.00 0.00 C ATOM 1231 C CYS A 80 -5.457 18.376 -3.852 1.00 0.00 C ATOM 1232 O CYS A 80 -6.430 18.989 -3.403 1.00 0.00 O ATOM 1233 CB CYS A 80 -3.224 17.535 -2.853 1.00 0.00 C ATOM 1234 SG CYS A 80 -4.182 16.636 -1.602 1.00 0.00 S ATOM 0 H CYS A 80 -3.973 19.464 -1.429 1.00 0.00 H new ATOM 0 HA CYS A 80 -3.542 19.082 -4.311 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -2.967 16.863 -3.672 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.286 17.882 -2.419 1.00 0.00 H new ATOM 0 HG CYS A 80 -4.158 17.294 -0.481 1.00 0.00 H new ATOM 1240 N GLN A 81 -5.600 17.381 -4.738 1.00 0.00 N ATOM 1241 CA GLN A 81 -6.872 17.025 -5.393 1.00 0.00 C ATOM 1242 C GLN A 81 -7.976 16.582 -4.412 1.00 0.00 C ATOM 1243 O GLN A 81 -9.156 16.831 -4.669 1.00 0.00 O ATOM 1244 CB GLN A 81 -6.604 15.921 -6.439 1.00 0.00 C ATOM 1245 CG GLN A 81 -7.789 15.706 -7.396 1.00 0.00 C ATOM 1246 CD GLN A 81 -7.476 14.682 -8.488 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -6.780 14.957 -9.456 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -7.988 13.472 -8.397 1.00 0.00 N ATOM 0 H GLN A 81 -4.822 16.788 -5.027 1.00 0.00 H new ATOM 0 HA GLN A 81 -7.252 17.928 -5.871 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.718 16.183 -7.018 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -6.384 14.985 -5.925 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -8.657 15.373 -6.827 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -8.057 16.656 -7.858 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -8.571 13.224 -7.598 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -7.802 12.783 -9.126 1.00 0.00 H new ATOM 1257 N THR A 82 -7.605 15.952 -3.288 1.00 0.00 N ATOM 1258 CA THR A 82 -8.531 15.391 -2.286 1.00 0.00 C ATOM 1259 C THR A 82 -8.715 16.276 -1.052 1.00 0.00 C ATOM 1260 O THR A 82 -9.536 15.950 -0.191 1.00 0.00 O ATOM 1261 CB THR A 82 -8.042 14.002 -1.845 1.00 0.00 C ATOM 1262 OG1 THR A 82 -6.709 14.075 -1.387 1.00 0.00 O ATOM 1263 CG2 THR A 82 -8.077 12.997 -2.998 1.00 0.00 C ATOM 0 H THR A 82 -6.625 15.813 -3.041 1.00 0.00 H new ATOM 0 HA THR A 82 -9.503 15.326 -2.774 1.00 0.00 H new ATOM 0 HB THR A 82 -8.711 13.671 -1.051 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.603 13.504 -0.598 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.724 12.027 -2.646 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.099 12.900 -3.365 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.433 13.347 -3.805 1.00 0.00 H new ATOM 1271 N GLY A 83 -7.970 17.383 -0.949 1.00 0.00 N ATOM 1272 CA GLY A 83 -7.829 18.155 0.289 1.00 0.00 C ATOM 1273 C GLY A 83 -6.905 17.399 1.252 1.00 0.00 C ATOM 1274 O GLY A 83 -6.321 16.374 0.890 1.00 0.00 O ATOM 0 H GLY A 83 -7.443 17.771 -1.731 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.419 19.141 0.072 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.805 18.309 0.749 1.00 0.00 H new ATOM 1278 N GLN A 84 -6.757 17.885 2.483 1.00 0.00 N ATOM 1279 CA GLN A 84 -5.926 17.215 3.468 1.00 0.00 C ATOM 1280 C GLN A 84 -6.474 15.843 3.887 1.00 0.00 C ATOM 1281 O GLN A 84 -7.683 15.588 3.852 1.00 0.00 O ATOM 1282 CB GLN A 84 -5.635 18.137 4.642 1.00 0.00 C ATOM 1283 CG GLN A 84 -6.728 18.227 5.703 1.00 0.00 C ATOM 1284 CD GLN A 84 -7.893 19.155 5.351 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -7.924 19.816 4.320 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -8.890 19.274 6.202 1.00 0.00 N ATOM 0 H GLN A 84 -7.203 18.739 2.817 1.00 0.00 H new ATOM 0 HA GLN A 84 -4.971 16.990 2.993 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.715 17.803 5.122 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.447 19.139 4.255 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -7.121 17.227 5.884 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -6.281 18.568 6.637 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.889 18.735 7.068 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -9.664 19.905 5.996 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.565 14.969 4.317 1.00 0.00 N ATOM 1296 CA GLY A 85 -5.861 13.578 4.666 1.00 0.00 C ATOM 1297 C GLY A 85 -4.622 12.691 4.729 1.00 0.00 C ATOM 1298 O GLY A 85 -3.528 13.080 4.318 1.00 0.00 O ATOM 0 H GLY A 85 -4.581 15.212 4.435 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.366 13.553 5.632 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.555 13.167 3.933 1.00 0.00 H new ATOM 1302 N ILE A 86 -4.800 11.480 5.253 1.00 0.00 N ATOM 1303 CA ILE A 86 -3.739 10.478 5.435 1.00 0.00 C ATOM 1304 C ILE A 86 -4.316 9.111 5.064 1.00 0.00 C ATOM 1305 O ILE A 86 -5.350 8.721 5.611 1.00 0.00 O ATOM 1306 CB ILE A 86 -3.204 10.477 6.886 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -2.857 11.886 7.411 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -1.972 9.554 6.988 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -2.340 11.908 8.852 1.00 0.00 C ATOM 0 H ILE A 86 -5.712 11.154 5.574 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.892 10.718 4.792 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.009 10.102 7.518 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.104 12.329 6.760 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.745 12.515 7.346 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.599 9.557 8.012 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.253 8.539 6.707 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.192 9.913 6.317 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.120 12.935 9.144 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.099 11.497 9.517 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.433 11.308 8.922 1.00 0.00 H new ATOM 1321 N PHE A 87 -3.657 8.404 4.146 1.00 0.00 N ATOM 1322 CA PHE A 87 -4.163 7.186 3.514 1.00 0.00 C ATOM 1323 C PHE A 87 -3.138 6.049 3.622 1.00 0.00 C ATOM 1324 O PHE A 87 -1.942 6.271 3.417 1.00 0.00 O ATOM 1325 CB PHE A 87 -4.481 7.489 2.039 1.00 0.00 C ATOM 1326 CG PHE A 87 -5.418 8.662 1.804 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -6.794 8.526 2.065 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -4.918 9.890 1.325 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -7.668 9.607 1.843 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -5.791 10.972 1.108 1.00 0.00 C ATOM 1331 CZ PHE A 87 -7.166 10.830 1.365 1.00 0.00 C ATOM 0 H PHE A 87 -2.731 8.670 3.812 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.069 6.862 4.026 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.545 7.682 1.515 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.920 6.599 1.589 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.181 7.589 2.437 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.863 10.001 1.124 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.724 9.497 2.040 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.405 11.912 0.744 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.836 11.660 1.195 1.00 0.00 H new ATOM 1341 N ALA A 88 -3.611 4.827 3.903 1.00 0.00 N ATOM 1342 CA ALA A 88 -2.783 3.625 4.001 1.00 0.00 C ATOM 1343 C ALA A 88 -3.309 2.476 3.135 1.00 0.00 C ATOM 1344 O ALA A 88 -4.520 2.254 2.994 1.00 0.00 O ATOM 1345 CB ALA A 88 -2.643 3.194 5.463 1.00 0.00 C ATOM 0 H ALA A 88 -4.601 4.647 4.071 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.797 3.878 3.612 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.024 2.298 5.521 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.176 3.995 6.035 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.629 2.981 5.876 1.00 0.00 H new ATOM 1351 N PHE A 89 -2.354 1.733 2.579 1.00 0.00 N ATOM 1352 CA PHE A 89 -2.567 0.659 1.619 1.00 0.00 C ATOM 1353 C PHE A 89 -1.702 -0.554 1.965 1.00 0.00 C ATOM 1354 O PHE A 89 -0.541 -0.416 2.348 1.00 0.00 O ATOM 1355 CB PHE A 89 -2.269 1.159 0.197 1.00 0.00 C ATOM 1356 CG PHE A 89 -2.952 2.463 -0.172 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.353 3.696 0.158 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -4.214 2.446 -0.795 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -3.027 4.900 -0.102 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -4.886 3.654 -1.053 1.00 0.00 C ATOM 1361 CZ PHE A 89 -4.294 4.880 -0.709 1.00 0.00 C ATOM 0 H PHE A 89 -1.367 1.872 2.797 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.611 0.348 1.665 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.192 1.285 0.089 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.573 0.391 -0.515 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.373 3.714 0.612 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.666 1.506 -1.075 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.571 5.842 0.165 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.861 3.639 -1.517 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.812 5.806 -0.911 1.00 0.00 H new ATOM 1371 N LYS A 90 -2.268 -1.752 1.835 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.637 -3.008 2.225 1.00 0.00 C ATOM 1373 C LYS A 90 -1.077 -3.736 0.996 1.00 0.00 C ATOM 1374 O LYS A 90 -1.787 -3.933 0.003 1.00 0.00 O ATOM 1375 CB LYS A 90 -2.676 -3.827 3.006 1.00 0.00 C ATOM 1376 CG LYS A 90 -2.004 -4.793 3.985 1.00 0.00 C ATOM 1377 CD LYS A 90 -3.052 -5.624 4.735 1.00 0.00 C ATOM 1378 CE LYS A 90 -2.406 -6.366 5.915 1.00 0.00 C ATOM 1379 NZ LYS A 90 -2.270 -5.516 7.129 1.00 0.00 N ATOM 0 H LYS A 90 -3.202 -1.878 1.445 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.777 -2.839 2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.336 -3.154 3.552 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.299 -4.388 2.309 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.328 -5.455 3.444 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.399 -4.233 4.698 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.848 -4.974 5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.511 -6.341 4.054 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.005 -7.244 6.157 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.421 -6.725 5.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.829 -6.068 7.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.676 -4.691 6.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.211 -5.194 7.434 1.00 0.00 H new ATOM 1393 N CYS A 91 0.203 -4.108 1.063 1.00 0.00 N ATOM 1394 CA CYS A 91 0.989 -4.657 -0.044 1.00 0.00 C ATOM 1395 C CYS A 91 2.363 -5.141 0.450 1.00 0.00 C ATOM 1396 O CYS A 91 3.045 -4.447 1.203 1.00 0.00 O ATOM 1397 CB CYS A 91 1.117 -3.605 -1.172 1.00 0.00 C ATOM 1398 SG CYS A 91 1.749 -2.017 -0.545 1.00 0.00 S ATOM 0 H CYS A 91 0.742 -4.032 1.925 1.00 0.00 H new ATOM 0 HA CYS A 91 0.473 -5.526 -0.453 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.785 -3.982 -1.947 1.00 0.00 H new ATOM 0 HB3 CYS A 91 0.144 -3.451 -1.638 1.00 0.00 H new ATOM 0 HG CYS A 91 1.841 -1.169 -1.526 1.00 0.00 H new ATOM 1404 N SER A 92 2.816 -6.306 -0.008 1.00 0.00 N ATOM 1405 CA SER A 92 4.159 -6.837 0.295 1.00 0.00 C ATOM 1406 C SER A 92 5.298 -6.013 -0.335 1.00 0.00 C ATOM 1407 O SER A 92 6.432 -6.045 0.148 1.00 0.00 O ATOM 1408 CB SER A 92 4.241 -8.296 -0.178 1.00 0.00 C ATOM 1409 OG SER A 92 3.858 -8.409 -1.546 1.00 0.00 O ATOM 0 H SER A 92 2.262 -6.919 -0.606 1.00 0.00 H new ATOM 0 HA SER A 92 4.296 -6.772 1.374 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.257 -8.668 -0.049 1.00 0.00 H new ATOM 0 HB3 SER A 92 3.593 -8.919 0.438 1.00 0.00 H new ATOM 0 HG SER A 92 3.919 -9.346 -1.827 1.00 0.00 H new ATOM 1415 N ARG A 93 4.985 -5.223 -1.373 1.00 0.00 N ATOM 1416 CA ARG A 93 5.926 -4.370 -2.117 1.00 0.00 C ATOM 1417 C ARG A 93 6.002 -2.931 -1.570 1.00 0.00 C ATOM 1418 O ARG A 93 6.572 -2.051 -2.217 1.00 0.00 O ATOM 1419 CB ARG A 93 5.586 -4.417 -3.620 1.00 0.00 C ATOM 1420 CG ARG A 93 5.548 -5.867 -4.149 1.00 0.00 C ATOM 1421 CD ARG A 93 5.461 -5.963 -5.675 1.00 0.00 C ATOM 1422 NE ARG A 93 6.724 -5.572 -6.318 1.00 0.00 N ATOM 1423 CZ ARG A 93 7.037 -5.703 -7.598 1.00 0.00 C ATOM 1424 NH1 ARG A 93 6.195 -6.194 -8.482 1.00 0.00 N ATOM 1425 NH2 ARG A 93 8.232 -5.343 -8.006 1.00 0.00 N ATOM 0 H ARG A 93 4.032 -5.158 -1.732 1.00 0.00 H new ATOM 0 HA ARG A 93 6.930 -4.771 -1.975 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.620 -3.942 -3.790 1.00 0.00 H new ATOM 0 HB3 ARG A 93 6.326 -3.844 -4.179 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.442 -6.391 -3.811 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.692 -6.382 -3.712 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.208 -6.984 -5.961 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.656 -5.322 -6.035 1.00 0.00 H new ATOM 0 HE ARG A 93 7.434 -5.156 -5.715 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.264 -6.490 -8.190 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.474 -6.279 -9.459 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.907 -4.968 -7.340 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.486 -5.439 -8.989 1.00 0.00 H new ATOM 1439 N ALA A 94 5.463 -2.678 -0.370 1.00 0.00 N ATOM 1440 CA ALA A 94 5.463 -1.370 0.301 1.00 0.00 C ATOM 1441 C ALA A 94 6.855 -0.713 0.388 1.00 0.00 C ATOM 1442 O ALA A 94 6.975 0.500 0.227 1.00 0.00 O ATOM 1443 CB ALA A 94 4.881 -1.571 1.705 1.00 0.00 C ATOM 0 H ALA A 94 4.999 -3.402 0.179 1.00 0.00 H new ATOM 0 HA ALA A 94 4.860 -0.684 -0.294 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.866 -0.617 2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.865 -1.958 1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.498 -2.281 2.256 1.00 0.00 H new ATOM 1449 N GLU A 95 7.902 -1.519 0.591 1.00 0.00 N ATOM 1450 CA GLU A 95 9.297 -1.070 0.651 1.00 0.00 C ATOM 1451 C GLU A 95 9.790 -0.506 -0.691 1.00 0.00 C ATOM 1452 O GLU A 95 10.438 0.541 -0.720 1.00 0.00 O ATOM 1453 CB GLU A 95 10.157 -2.250 1.136 1.00 0.00 C ATOM 1454 CG GLU A 95 11.630 -1.893 1.396 1.00 0.00 C ATOM 1455 CD GLU A 95 12.614 -2.192 0.248 1.00 0.00 C ATOM 1456 OE1 GLU A 95 12.208 -2.643 -0.847 1.00 0.00 O ATOM 1457 OE2 GLU A 95 13.834 -1.996 0.464 1.00 0.00 O ATOM 0 H GLU A 95 7.801 -2.526 0.721 1.00 0.00 H new ATOM 0 HA GLU A 95 9.381 -0.241 1.354 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.724 -2.647 2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.114 -3.046 0.393 1.00 0.00 H new ATOM 0 HG2 GLU A 95 11.689 -0.830 1.630 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.963 -2.434 2.282 1.00 0.00 H new ATOM 1464 N GLU A 96 9.437 -1.146 -1.807 1.00 0.00 N ATOM 1465 CA GLU A 96 9.780 -0.670 -3.153 1.00 0.00 C ATOM 1466 C GLU A 96 9.063 0.648 -3.480 1.00 0.00 C ATOM 1467 O GLU A 96 9.670 1.546 -4.064 1.00 0.00 O ATOM 1468 CB GLU A 96 9.411 -1.715 -4.222 1.00 0.00 C ATOM 1469 CG GLU A 96 10.233 -3.003 -4.129 1.00 0.00 C ATOM 1470 CD GLU A 96 9.704 -4.042 -5.123 1.00 0.00 C ATOM 1471 OE1 GLU A 96 10.038 -3.978 -6.328 1.00 0.00 O ATOM 1472 OE2 GLU A 96 8.916 -4.921 -4.712 1.00 0.00 O ATOM 0 H GLU A 96 8.902 -2.014 -1.805 1.00 0.00 H new ATOM 0 HA GLU A 96 10.857 -0.504 -3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.353 -1.961 -4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.549 -1.276 -5.210 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.281 -2.790 -4.338 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.185 -3.401 -3.116 1.00 0.00 H new ATOM 1479 N ILE A 97 7.796 0.793 -3.070 1.00 0.00 N ATOM 1480 CA ILE A 97 7.026 2.036 -3.258 1.00 0.00 C ATOM 1481 C ILE A 97 7.642 3.178 -2.438 1.00 0.00 C ATOM 1482 O ILE A 97 7.867 4.259 -2.983 1.00 0.00 O ATOM 1483 CB ILE A 97 5.521 1.839 -2.935 1.00 0.00 C ATOM 1484 CG1 ILE A 97 4.891 0.698 -3.770 1.00 0.00 C ATOM 1485 CG2 ILE A 97 4.764 3.153 -3.224 1.00 0.00 C ATOM 1486 CD1 ILE A 97 3.476 0.310 -3.318 1.00 0.00 C ATOM 0 H ILE A 97 7.274 0.054 -2.599 1.00 0.00 H new ATOM 0 HA ILE A 97 7.082 2.310 -4.312 1.00 0.00 H new ATOM 0 HB ILE A 97 5.439 1.568 -1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.858 1.001 -4.816 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.534 -0.180 -3.713 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.706 3.020 -2.999 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.170 3.951 -2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.881 3.417 -4.275 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.100 -0.495 -3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.504 -0.025 -2.281 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.817 1.174 -3.402 1.00 0.00 H new ATOM 1498 N PHE A 98 7.981 2.937 -1.165 1.00 0.00 N ATOM 1499 CA PHE A 98 8.651 3.911 -0.302 1.00 0.00 C ATOM 1500 C PHE A 98 9.997 4.378 -0.885 1.00 0.00 C ATOM 1501 O PHE A 98 10.272 5.580 -0.909 1.00 0.00 O ATOM 1502 CB PHE A 98 8.813 3.279 1.086 1.00 0.00 C ATOM 1503 CG PHE A 98 9.611 4.112 2.068 1.00 0.00 C ATOM 1504 CD1 PHE A 98 8.969 5.071 2.875 1.00 0.00 C ATOM 1505 CD2 PHE A 98 11.001 3.921 2.179 1.00 0.00 C ATOM 1506 CE1 PHE A 98 9.716 5.826 3.798 1.00 0.00 C ATOM 1507 CE2 PHE A 98 11.746 4.679 3.098 1.00 0.00 C ATOM 1508 CZ PHE A 98 11.103 5.624 3.914 1.00 0.00 C ATOM 0 H PHE A 98 7.794 2.048 -0.702 1.00 0.00 H new ATOM 0 HA PHE A 98 8.043 4.813 -0.228 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.824 3.095 1.505 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.297 2.309 0.975 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.904 5.227 2.786 1.00 0.00 H new ATOM 0 HD2 PHE A 98 11.496 3.190 1.557 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.224 6.561 4.418 1.00 0.00 H new ATOM 0 HE2 PHE A 98 12.813 4.535 3.177 1.00 0.00 H new ATOM 0 HZ PHE A 98 11.674 6.196 4.631 1.00 0.00 H new ATOM 1518 N ASN A 99 10.815 3.454 -1.406 1.00 0.00 N ATOM 1519 CA ASN A 99 12.082 3.790 -2.060 1.00 0.00 C ATOM 1520 C ASN A 99 11.874 4.613 -3.340 1.00 0.00 C ATOM 1521 O ASN A 99 12.479 5.676 -3.488 1.00 0.00 O ATOM 1522 CB ASN A 99 12.885 2.518 -2.360 1.00 0.00 C ATOM 1523 CG ASN A 99 13.673 2.056 -1.143 1.00 0.00 C ATOM 1524 OD1 ASN A 99 14.726 2.597 -0.823 1.00 0.00 O ATOM 1525 ND2 ASN A 99 13.188 1.053 -0.441 1.00 0.00 N ATOM 0 H ASN A 99 10.615 2.454 -1.385 1.00 0.00 H new ATOM 0 HA ASN A 99 12.649 4.412 -1.367 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.208 1.726 -2.679 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.569 2.705 -3.188 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.689 0.716 0.381 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.311 0.613 -0.719 1.00 0.00 H new ATOM 1532 N LEU A 100 10.980 4.174 -4.233 1.00 0.00 N ATOM 1533 CA LEU A 100 10.678 4.878 -5.481 1.00 0.00 C ATOM 1534 C LEU A 100 10.144 6.293 -5.218 1.00 0.00 C ATOM 1535 O LEU A 100 10.533 7.231 -5.910 1.00 0.00 O ATOM 1536 CB LEU A 100 9.682 4.014 -6.273 1.00 0.00 C ATOM 1537 CG LEU A 100 9.219 4.627 -7.607 1.00 0.00 C ATOM 1538 CD1 LEU A 100 10.378 4.846 -8.592 1.00 0.00 C ATOM 1539 CD2 LEU A 100 8.182 3.696 -8.240 1.00 0.00 C ATOM 0 H LEU A 100 10.444 3.315 -4.108 1.00 0.00 H new ATOM 0 HA LEU A 100 11.587 5.017 -6.067 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.141 3.046 -6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.807 3.829 -5.650 1.00 0.00 H new ATOM 0 HG LEU A 100 8.791 5.607 -7.394 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.994 5.280 -9.515 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.109 5.523 -8.149 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.855 3.891 -8.811 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.844 4.118 -9.187 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.631 2.719 -8.417 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.331 3.588 -7.567 1.00 0.00 H new ATOM 1551 N LEU A 101 9.318 6.467 -4.184 1.00 0.00 N ATOM 1552 CA LEU A 101 8.801 7.770 -3.771 1.00 0.00 C ATOM 1553 C LEU A 101 9.928 8.744 -3.399 1.00 0.00 C ATOM 1554 O LEU A 101 9.965 9.851 -3.938 1.00 0.00 O ATOM 1555 CB LEU A 101 7.803 7.554 -2.620 1.00 0.00 C ATOM 1556 CG LEU A 101 7.071 8.828 -2.162 1.00 0.00 C ATOM 1557 CD1 LEU A 101 6.244 9.460 -3.288 1.00 0.00 C ATOM 1558 CD2 LEU A 101 6.152 8.474 -0.989 1.00 0.00 C ATOM 0 H LEU A 101 8.986 5.696 -3.604 1.00 0.00 H new ATOM 0 HA LEU A 101 8.282 8.240 -4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.063 6.817 -2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.336 7.130 -1.769 1.00 0.00 H new ATOM 0 HG LEU A 101 7.821 9.559 -1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.747 10.356 -2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.901 9.727 -4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.496 8.747 -3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.627 9.369 -0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.426 7.726 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.747 8.075 -0.168 1.00 0.00 H new ATOM 1570 N GLN A 102 10.871 8.341 -2.537 1.00 0.00 N ATOM 1571 CA GLN A 102 11.989 9.214 -2.169 1.00 0.00 C ATOM 1572 C GLN A 102 12.976 9.437 -3.332 1.00 0.00 C ATOM 1573 O GLN A 102 13.525 10.531 -3.465 1.00 0.00 O ATOM 1574 CB GLN A 102 12.691 8.724 -0.893 1.00 0.00 C ATOM 1575 CG GLN A 102 13.372 7.349 -0.976 1.00 0.00 C ATOM 1576 CD GLN A 102 14.215 7.000 0.255 1.00 0.00 C ATOM 1577 OE1 GLN A 102 14.426 7.792 1.166 1.00 0.00 O ATOM 1578 NE2 GLN A 102 14.740 5.794 0.340 1.00 0.00 N ATOM 0 H GLN A 102 10.881 7.426 -2.087 1.00 0.00 H new ATOM 0 HA GLN A 102 11.564 10.193 -1.946 1.00 0.00 H new ATOM 0 HB2 GLN A 102 13.442 9.462 -0.611 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.956 8.694 -0.088 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.608 6.583 -1.110 1.00 0.00 H new ATOM 0 HG3 GLN A 102 14.009 7.322 -1.860 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.580 5.115 -0.404 1.00 0.00 H new ATOM 0 HE22 GLN A 102 15.306 5.540 1.150 1.00 0.00 H new ATOM 1587 N ASP A 103 13.156 8.448 -4.216 1.00 0.00 N ATOM 1588 CA ASP A 103 14.008 8.551 -5.407 1.00 0.00 C ATOM 1589 C ASP A 103 13.485 9.604 -6.402 1.00 0.00 C ATOM 1590 O ASP A 103 14.258 10.407 -6.932 1.00 0.00 O ATOM 1591 CB ASP A 103 14.120 7.180 -6.101 1.00 0.00 C ATOM 1592 CG ASP A 103 15.039 6.172 -5.385 1.00 0.00 C ATOM 1593 OD1 ASP A 103 16.062 6.585 -4.787 1.00 0.00 O ATOM 1594 OD2 ASP A 103 14.770 4.951 -5.488 1.00 0.00 O ATOM 0 H ASP A 103 12.706 7.538 -4.122 1.00 0.00 H new ATOM 0 HA ASP A 103 14.995 8.873 -5.075 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.123 6.747 -6.184 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.488 7.330 -7.116 1.00 0.00 H new ATOM 1599 N LEU A 104 12.165 9.642 -6.615 1.00 0.00 N ATOM 1600 CA LEU A 104 11.500 10.622 -7.479 1.00 0.00 C ATOM 1601 C LEU A 104 11.436 12.018 -6.838 1.00 0.00 C ATOM 1602 O LEU A 104 11.445 13.016 -7.560 1.00 0.00 O ATOM 1603 CB LEU A 104 10.096 10.103 -7.839 1.00 0.00 C ATOM 1604 CG LEU A 104 10.103 8.832 -8.715 1.00 0.00 C ATOM 1605 CD1 LEU A 104 8.692 8.238 -8.757 1.00 0.00 C ATOM 1606 CD2 LEU A 104 10.595 9.106 -10.145 1.00 0.00 C ATOM 0 H LEU A 104 11.518 8.981 -6.184 1.00 0.00 H new ATOM 0 HA LEU A 104 12.089 10.737 -8.389 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.550 9.895 -6.919 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.552 10.890 -8.362 1.00 0.00 H new ATOM 0 HG LEU A 104 10.800 8.125 -8.265 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.693 7.340 -9.375 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.375 7.982 -7.746 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.002 8.968 -9.180 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.580 8.179 -10.719 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.942 9.838 -10.621 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.612 9.496 -10.111 1.00 0.00 H new ATOM 1618 N MET A 105 11.438 12.107 -5.502 1.00 0.00 N ATOM 1619 CA MET A 105 11.523 13.378 -4.767 1.00 0.00 C ATOM 1620 C MET A 105 12.927 13.994 -4.790 1.00 0.00 C ATOM 1621 O MET A 105 13.036 15.216 -4.907 1.00 0.00 O ATOM 1622 CB MET A 105 11.073 13.178 -3.315 1.00 0.00 C ATOM 1623 CG MET A 105 9.555 13.038 -3.212 1.00 0.00 C ATOM 1624 SD MET A 105 9.028 12.562 -1.555 1.00 0.00 S ATOM 1625 CE MET A 105 7.272 12.953 -1.679 1.00 0.00 C ATOM 0 H MET A 105 11.380 11.291 -4.893 1.00 0.00 H new ATOM 0 HA MET A 105 10.858 14.076 -5.276 1.00 0.00 H new ATOM 0 HB2 MET A 105 11.550 12.288 -2.905 1.00 0.00 H new ATOM 0 HB3 MET A 105 11.403 14.023 -2.711 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.085 13.983 -3.484 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.211 12.293 -3.929 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.773 12.687 -0.747 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.149 14.020 -1.864 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.831 12.389 -2.501 1.00 0.00 H new ATOM 2019 N PHE A 136 -10.188 5.388 3.387 1.00 0.00 N ATOM 2020 CA PHE A 136 -10.133 5.646 4.832 1.00 0.00 C ATOM 2021 C PHE A 136 -9.127 6.762 5.162 1.00 0.00 C ATOM 2022 O PHE A 136 -7.961 6.679 4.773 1.00 0.00 O ATOM 2023 CB PHE A 136 -9.789 4.351 5.582 1.00 0.00 C ATOM 2024 CG PHE A 136 -9.958 4.455 7.089 1.00 0.00 C ATOM 2025 CD1 PHE A 136 -8.909 4.938 7.898 1.00 0.00 C ATOM 2026 CD2 PHE A 136 -11.160 4.037 7.692 1.00 0.00 C ATOM 2027 CE1 PHE A 136 -9.074 5.017 9.294 1.00 0.00 C ATOM 2028 CE2 PHE A 136 -11.325 4.124 9.086 1.00 0.00 C ATOM 2029 CZ PHE A 136 -10.283 4.619 9.887 1.00 0.00 C ATOM 0 HA PHE A 136 -11.114 5.989 5.160 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -10.422 3.546 5.209 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -8.758 4.075 5.359 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -7.978 5.248 7.446 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -11.960 3.647 7.080 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.268 5.385 9.911 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -12.253 3.810 9.541 1.00 0.00 H new ATOM 0 HZ PHE A 136 -10.411 4.693 10.957 1.00 0.00 H new ATOM 2039 N ARG A 137 -9.574 7.777 5.916 1.00 0.00 N ATOM 2040 CA ARG A 137 -8.729 8.862 6.436 1.00 0.00 C ATOM 2041 C ARG A 137 -8.266 8.525 7.859 1.00 0.00 C ATOM 2042 O ARG A 137 -9.083 8.425 8.779 1.00 0.00 O ATOM 2043 CB ARG A 137 -9.470 10.212 6.424 1.00 0.00 C ATOM 2044 CG ARG A 137 -9.631 10.847 5.030 1.00 0.00 C ATOM 2045 CD ARG A 137 -10.830 10.331 4.216 1.00 0.00 C ATOM 2046 NE ARG A 137 -12.122 10.631 4.866 1.00 0.00 N ATOM 2047 CZ ARG A 137 -12.764 11.796 4.874 1.00 0.00 C ATOM 2048 NH1 ARG A 137 -12.299 12.860 4.252 1.00 0.00 N ATOM 2049 NH2 ARG A 137 -13.902 11.908 5.524 1.00 0.00 N ATOM 0 H ARG A 137 -10.553 7.868 6.187 1.00 0.00 H new ATOM 0 HA ARG A 137 -7.861 8.955 5.784 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -10.459 10.072 6.861 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.934 10.911 7.067 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -9.728 11.926 5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -8.720 10.670 4.459 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -10.813 10.781 3.223 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -10.736 9.254 4.079 1.00 0.00 H new ATOM 0 HE ARG A 137 -12.571 9.861 5.363 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -11.418 12.808 3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -12.820 13.736 4.281 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -14.288 11.104 6.019 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -14.398 12.799 5.533 1.00 0.00 H new ATOM 2063 N LEU A 138 -6.956 8.353 8.042 1.00 0.00 N ATOM 2064 CA LEU A 138 -6.334 7.983 9.321 1.00 0.00 C ATOM 2065 C LEU A 138 -6.327 9.162 10.314 1.00 0.00 C ATOM 2066 O LEU A 138 -6.120 10.311 9.916 1.00 0.00 O ATOM 2067 CB LEU A 138 -4.901 7.487 9.050 1.00 0.00 C ATOM 2068 CG LEU A 138 -4.793 6.262 8.117 1.00 0.00 C ATOM 2069 CD1 LEU A 138 -3.386 6.200 7.520 1.00 0.00 C ATOM 2070 CD2 LEU A 138 -5.109 4.965 8.869 1.00 0.00 C ATOM 0 H LEU A 138 -6.279 8.469 7.288 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.920 7.187 9.781 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -4.327 8.305 8.616 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -4.433 7.240 10.003 1.00 0.00 H new ATOM 0 HG LEU A 138 -5.524 6.368 7.316 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -3.308 5.335 6.861 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -3.192 7.109 6.951 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -2.654 6.111 8.323 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -5.025 4.119 8.187 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -4.404 4.840 9.691 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.123 5.012 9.265 1.00 0.00 H new ATOM 2082 N ARG A 139 -6.515 8.872 11.610 1.00 0.00 N ATOM 2083 CA ARG A 139 -6.441 9.867 12.698 1.00 0.00 C ATOM 2084 C ARG A 139 -5.016 10.393 12.927 1.00 0.00 C ATOM 2085 O ARG A 139 -4.830 11.582 13.184 1.00 0.00 O ATOM 2086 CB ARG A 139 -6.980 9.263 14.005 1.00 0.00 C ATOM 2087 CG ARG A 139 -8.509 9.120 14.034 1.00 0.00 C ATOM 2088 CD ARG A 139 -9.230 10.476 14.101 1.00 0.00 C ATOM 2089 NE ARG A 139 -10.665 10.311 14.397 1.00 0.00 N ATOM 2090 CZ ARG A 139 -11.643 10.076 13.528 1.00 0.00 C ATOM 2091 NH1 ARG A 139 -11.419 9.934 12.237 1.00 0.00 N ATOM 2092 NH2 ARG A 139 -12.882 9.977 13.960 1.00 0.00 N ATOM 0 H ARG A 139 -6.725 7.930 11.939 1.00 0.00 H new ATOM 0 HA ARG A 139 -7.056 10.713 12.392 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -6.529 8.282 14.155 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -6.666 9.889 14.841 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -8.837 8.582 13.144 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -8.797 8.517 14.895 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -8.768 11.097 14.868 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -9.111 11.000 13.153 1.00 0.00 H new ATOM 0 HE ARG A 139 -10.937 10.385 15.377 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -10.468 10.004 11.874 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -12.196 9.754 11.601 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -13.085 10.080 14.954 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -13.639 9.797 13.301 1.00 0.00 H new ATOM 2106 N HIS A 140 -4.019 9.510 12.808 1.00 0.00 N ATOM 2107 CA HIS A 140 -2.587 9.806 12.956 1.00 0.00 C ATOM 2108 C HIS A 140 -1.771 9.065 11.878 1.00 0.00 C ATOM 2109 O HIS A 140 -1.781 9.496 10.727 1.00 0.00 O ATOM 2110 CB HIS A 140 -2.137 9.540 14.406 1.00 0.00 C ATOM 2111 CG HIS A 140 -2.675 10.547 15.389 1.00 0.00 C ATOM 2112 ND1 HIS A 140 -2.184 11.844 15.560 1.00 0.00 N ATOM 2113 CD2 HIS A 140 -3.719 10.350 16.246 1.00 0.00 C ATOM 2114 CE1 HIS A 140 -2.953 12.398 16.514 1.00 0.00 C ATOM 2115 NE2 HIS A 140 -3.882 11.525 16.944 1.00 0.00 N ATOM 0 H HIS A 140 -4.194 8.527 12.597 1.00 0.00 H new ATOM 0 HA HIS A 140 -2.397 10.865 12.781 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -2.462 8.543 14.703 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -1.048 9.547 14.448 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -4.303 9.448 16.355 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -2.840 13.406 16.884 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -4.584 11.703 17.662 1.00 0.00 H new ATOM 2123 N PHE A 141 -1.086 7.957 12.199 1.00 0.00 N ATOM 2124 CA PHE A 141 -0.229 7.249 11.239 1.00 0.00 C ATOM 2125 C PHE A 141 0.040 5.787 11.681 1.00 0.00 C ATOM 2126 O PHE A 141 0.467 5.592 12.825 1.00 0.00 O ATOM 2127 CB PHE A 141 1.086 8.036 11.078 1.00 0.00 C ATOM 2128 CG PHE A 141 1.680 7.944 9.691 1.00 0.00 C ATOM 2129 CD1 PHE A 141 1.237 8.819 8.682 1.00 0.00 C ATOM 2130 CD2 PHE A 141 2.696 7.013 9.415 1.00 0.00 C ATOM 2131 CE1 PHE A 141 1.817 8.777 7.403 1.00 0.00 C ATOM 2132 CE2 PHE A 141 3.280 6.978 8.139 1.00 0.00 C ATOM 2133 CZ PHE A 141 2.847 7.861 7.134 1.00 0.00 C ATOM 0 H PHE A 141 -1.111 7.530 13.125 1.00 0.00 H new ATOM 0 HA PHE A 141 -0.740 7.191 10.278 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.904 9.084 11.318 1.00 0.00 H new ATOM 0 HB3 PHE A 141 1.813 7.665 11.801 1.00 0.00 H new ATOM 0 HD1 PHE A 141 0.448 9.526 8.892 1.00 0.00 H new ATOM 0 HD2 PHE A 141 3.026 6.327 10.181 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.472 9.447 6.629 1.00 0.00 H new ATOM 0 HE2 PHE A 141 4.067 6.269 7.928 1.00 0.00 H new ATOM 0 HZ PHE A 141 3.306 7.835 6.157 1.00 0.00 H new ATOM 2143 N PRO A 142 -0.205 4.762 10.834 1.00 0.00 N ATOM 2144 CA PRO A 142 -0.125 3.352 11.229 1.00 0.00 C ATOM 2145 C PRO A 142 1.280 2.741 11.093 1.00 0.00 C ATOM 2146 O PRO A 142 1.613 1.827 11.848 1.00 0.00 O ATOM 2147 CB PRO A 142 -1.121 2.631 10.315 1.00 0.00 C ATOM 2148 CG PRO A 142 -1.048 3.441 9.023 1.00 0.00 C ATOM 2149 CD PRO A 142 -0.862 4.868 9.539 1.00 0.00 C ATOM 0 HA PRO A 142 -0.357 3.248 12.289 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -0.842 1.590 10.155 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -2.127 2.630 10.735 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -0.217 3.126 8.392 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -1.956 3.339 8.428 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -0.259 5.455 8.846 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -1.823 5.374 9.633 1.00 0.00 H new ATOM 2157 N CYS A 143 2.111 3.224 10.158 1.00 0.00 N ATOM 2158 CA CYS A 143 3.449 2.679 9.895 1.00 0.00 C ATOM 2159 C CYS A 143 4.476 3.149 10.943 1.00 0.00 C ATOM 2160 O CYS A 143 4.513 4.329 11.302 1.00 0.00 O ATOM 2161 CB CYS A 143 3.886 3.084 8.478 1.00 0.00 C ATOM 2162 SG CYS A 143 2.776 2.366 7.231 1.00 0.00 S ATOM 0 H CYS A 143 1.870 4.012 9.557 1.00 0.00 H new ATOM 0 HA CYS A 143 3.403 1.592 9.967 1.00 0.00 H new ATOM 0 HB2 CYS A 143 3.886 4.170 8.389 1.00 0.00 H new ATOM 0 HB3 CYS A 143 4.908 2.749 8.298 1.00 0.00 H new ATOM 0 HG CYS A 143 3.032 2.890 6.069 1.00 0.00 H new ATOM 2168 N GLY A 144 5.349 2.240 11.394 1.00 0.00 N ATOM 2169 CA GLY A 144 6.372 2.513 12.418 1.00 0.00 C ATOM 2170 C GLY A 144 7.664 3.163 11.906 1.00 0.00 C ATOM 2171 O GLY A 144 8.577 3.388 12.699 1.00 0.00 O ATOM 0 H GLY A 144 5.367 1.278 11.054 1.00 0.00 H new ATOM 0 HA2 GLY A 144 5.936 3.162 13.178 1.00 0.00 H new ATOM 0 HA3 GLY A 144 6.628 1.574 12.909 1.00 0.00 H new ATOM 2175 N ASN A 145 7.747 3.487 10.611 1.00 0.00 N ATOM 2176 CA ASN A 145 8.874 4.181 9.972 1.00 0.00 C ATOM 2177 C ASN A 145 8.331 5.314 9.084 1.00 0.00 C ATOM 2178 O ASN A 145 7.412 5.068 8.304 1.00 0.00 O ATOM 2179 CB ASN A 145 9.699 3.201 9.116 1.00 0.00 C ATOM 2180 CG ASN A 145 10.048 1.901 9.835 1.00 0.00 C ATOM 2181 OD1 ASN A 145 10.932 1.849 10.682 1.00 0.00 O ATOM 2182 ND2 ASN A 145 9.367 0.816 9.505 1.00 0.00 N ATOM 0 H ASN A 145 7.001 3.265 9.951 1.00 0.00 H new ATOM 0 HA ASN A 145 9.522 4.593 10.746 1.00 0.00 H new ATOM 0 HB2 ASN A 145 9.141 2.966 8.210 1.00 0.00 H new ATOM 0 HB3 ASN A 145 10.621 3.692 8.804 1.00 0.00 H new ATOM 0 HD21 ASN A 145 9.576 -0.074 9.957 1.00 0.00 H new ATOM 0 HD22 ASN A 145 8.633 0.870 8.799 1.00 0.00 H new ATOM 2189 N VAL A 146 8.881 6.530 9.188 1.00 0.00 N ATOM 2190 CA VAL A 146 8.406 7.745 8.498 1.00 0.00 C ATOM 2191 C VAL A 146 9.595 8.601 8.036 1.00 0.00 C ATOM 2192 O VAL A 146 10.633 8.659 8.696 1.00 0.00 O ATOM 2193 CB VAL A 146 7.429 8.552 9.394 1.00 0.00 C ATOM 2194 CG1 VAL A 146 7.112 9.955 8.854 1.00 0.00 C ATOM 2195 CG2 VAL A 146 6.105 7.806 9.561 1.00 0.00 C ATOM 0 H VAL A 146 9.697 6.706 9.774 1.00 0.00 H new ATOM 0 HA VAL A 146 7.850 7.442 7.611 1.00 0.00 H new ATOM 0 HB VAL A 146 7.944 8.662 10.348 1.00 0.00 H new ATOM 0 HG11 VAL A 146 6.424 10.459 9.532 1.00 0.00 H new ATOM 0 HG12 VAL A 146 8.033 10.532 8.777 1.00 0.00 H new ATOM 0 HG13 VAL A 146 6.654 9.871 7.869 1.00 0.00 H new ATOM 0 HG21 VAL A 146 5.436 8.390 10.193 1.00 0.00 H new ATOM 0 HG22 VAL A 146 5.645 7.658 8.584 1.00 0.00 H new ATOM 0 HG23 VAL A 146 6.289 6.837 10.026 1.00 0.00 H new ATOM 2205 N ASN A 147 9.418 9.256 6.888 1.00 0.00 N ATOM 2206 CA ASN A 147 10.401 10.048 6.149 1.00 0.00 C ATOM 2207 C ASN A 147 9.721 11.272 5.487 1.00 0.00 C ATOM 2208 O ASN A 147 8.492 11.341 5.391 1.00 0.00 O ATOM 2209 CB ASN A 147 11.065 9.100 5.137 1.00 0.00 C ATOM 2210 CG ASN A 147 12.301 9.652 4.433 1.00 0.00 C ATOM 2211 OD1 ASN A 147 12.911 10.633 4.840 1.00 0.00 O ATOM 2212 ND2 ASN A 147 12.717 8.999 3.362 1.00 0.00 N ATOM 0 H ASN A 147 8.514 9.246 6.415 1.00 0.00 H new ATOM 0 HA ASN A 147 11.167 10.463 6.804 1.00 0.00 H new ATOM 0 HB2 ASN A 147 11.343 8.181 5.654 1.00 0.00 H new ATOM 0 HB3 ASN A 147 10.328 8.830 4.381 1.00 0.00 H new ATOM 0 HD21 ASN A 147 13.553 9.311 2.867 1.00 0.00 H new ATOM 0 HD22 ASN A 147 12.203 8.183 3.030 1.00 0.00 H new ATOM 2219 N TYR A 148 10.515 12.255 5.049 1.00 0.00 N ATOM 2220 CA TYR A 148 10.049 13.583 4.620 1.00 0.00 C ATOM 2221 C TYR A 148 10.525 13.959 3.204 1.00 0.00 C ATOM 2222 O TYR A 148 11.658 13.662 2.814 1.00 0.00 O ATOM 2223 CB TYR A 148 10.505 14.626 5.656 1.00 0.00 C ATOM 2224 CG TYR A 148 10.244 14.233 7.104 1.00 0.00 C ATOM 2225 CD1 TYR A 148 8.935 13.931 7.527 1.00 0.00 C ATOM 2226 CD2 TYR A 148 11.315 14.102 8.010 1.00 0.00 C ATOM 2227 CE1 TYR A 148 8.695 13.480 8.840 1.00 0.00 C ATOM 2228 CE2 TYR A 148 11.084 13.662 9.328 1.00 0.00 C ATOM 2229 CZ TYR A 148 9.771 13.345 9.746 1.00 0.00 C ATOM 2230 OH TYR A 148 9.536 12.907 11.015 1.00 0.00 O ATOM 0 H TYR A 148 11.527 12.148 4.980 1.00 0.00 H new ATOM 0 HA TYR A 148 8.961 13.560 4.566 1.00 0.00 H new ATOM 0 HB2 TYR A 148 11.573 14.804 5.528 1.00 0.00 H new ATOM 0 HB3 TYR A 148 9.998 15.569 5.451 1.00 0.00 H new ATOM 0 HD1 TYR A 148 8.110 14.046 6.840 1.00 0.00 H new ATOM 0 HD2 TYR A 148 12.319 14.340 7.692 1.00 0.00 H new ATOM 0 HE1 TYR A 148 7.690 13.238 9.154 1.00 0.00 H new ATOM 0 HE2 TYR A 148 11.909 13.567 10.019 1.00 0.00 H new ATOM 0 HH TYR A 148 10.381 12.869 11.510 1.00 0.00 H new