USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 406 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 53 CYS SG : rot -159:sc= 0.462 USER MOD Set 1.2: A 64 LYS NZ :NH3+ -165:sc= 0.519 (180deg=0) USER MOD Set 2.1: A 50 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 51 HIS : no HD1:sc= -0.885 K(o=-0.88,f=-3!) USER MOD Set 3.1: A 20 CYS SG : rot 146:sc= 0.783 USER MOD Set 3.2: A 23 CYS SG : rot 75:sc= 1.4 USER MOD Set 3.3: A 26 ASN : amide:sc= -0.947 K(o=1.8,f=1.2!) USER MOD Set 3.4: A 33 THR OG1 : rot 105:sc= 0.538 USER MOD Set 4.1: A 18 HIS : no HD1:sc= -0.688 K(o=2.8,f=-9.5!) USER MOD Set 4.2: A 57 CYS SG : rot -134:sc= 1.36 USER MOD Set 4.3: A 60 CYS SG : rot 26:sc= 2.15 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -1.12 X(o=-1.1,f=-1.4) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00963 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0341 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.482 X(o=-0.48,f=-0.58) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 59 TYR OH : rot 99:sc= 0.00717 USER MOD Single : A 62 TYR OH : rot -111:sc= 0.636 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 69 HIS : no HD1:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 221 N GLY A 16 63.627 -3.281 21.807 1.00 0.00 N ATOM 222 CA GLY A 16 62.840 -2.749 20.697 1.00 0.00 C ATOM 223 C GLY A 16 63.395 -1.417 20.230 1.00 0.00 C ATOM 224 O GLY A 16 62.697 -0.640 19.584 1.00 0.00 O ATOM 0 HA2 GLY A 16 62.844 -3.459 19.870 1.00 0.00 H new ATOM 0 HA3 GLY A 16 61.802 -2.627 21.007 1.00 0.00 H new ATOM 228 N LYS A 17 64.656 -1.157 20.556 1.00 0.00 N ATOM 229 CA LYS A 17 65.280 0.085 20.150 1.00 0.00 C ATOM 230 C LYS A 17 65.407 0.095 18.636 1.00 0.00 C ATOM 231 O LYS A 17 65.034 1.064 17.996 1.00 0.00 O ATOM 232 CB LYS A 17 66.679 0.228 20.800 1.00 0.00 C ATOM 233 CG LYS A 17 66.672 -0.073 22.330 1.00 0.00 C ATOM 234 CD LYS A 17 65.636 0.786 23.102 1.00 0.00 C ATOM 235 CE LYS A 17 65.939 0.769 24.603 1.00 0.00 C ATOM 236 NZ LYS A 17 64.755 1.293 25.347 1.00 0.00 N ATOM 0 H LYS A 17 65.255 -1.784 21.093 1.00 0.00 H new ATOM 0 HA LYS A 17 64.666 0.924 20.478 1.00 0.00 H new ATOM 0 HB2 LYS A 17 67.375 -0.449 20.305 1.00 0.00 H new ATOM 0 HB3 LYS A 17 67.048 1.240 20.636 1.00 0.00 H new ATOM 0 HG2 LYS A 17 66.453 -1.129 22.488 1.00 0.00 H new ATOM 0 HG3 LYS A 17 67.666 0.110 22.737 1.00 0.00 H new ATOM 0 HD2 LYS A 17 65.657 1.811 22.732 1.00 0.00 H new ATOM 0 HD3 LYS A 17 64.631 0.403 22.923 1.00 0.00 H new ATOM 0 HE2 LYS A 17 66.169 -0.246 24.929 1.00 0.00 H new ATOM 0 HE3 LYS A 17 66.817 1.379 24.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 64.955 1.284 26.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 64.556 2.267 25.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 63.928 0.693 25.151 1.00 0.00 H new ATOM 250 N HIS A 18 65.976 -0.978 18.086 1.00 0.00 N ATOM 251 CA HIS A 18 66.203 -1.092 16.637 1.00 0.00 C ATOM 252 C HIS A 18 64.959 -0.772 15.793 1.00 0.00 C ATOM 253 O HIS A 18 65.101 -0.401 14.625 1.00 0.00 O ATOM 254 CB HIS A 18 66.663 -2.519 16.277 1.00 0.00 C ATOM 255 CG HIS A 18 67.836 -2.525 15.312 1.00 0.00 C ATOM 256 ND1 HIS A 18 68.825 -3.479 15.396 1.00 0.00 N ATOM 257 CD2 HIS A 18 68.182 -1.709 14.271 1.00 0.00 C ATOM 258 CE1 HIS A 18 69.719 -3.211 14.431 1.00 0.00 C ATOM 259 NE2 HIS A 18 69.372 -2.130 13.704 1.00 0.00 N ATOM 0 H HIS A 18 66.291 -1.787 18.622 1.00 0.00 H new ATOM 0 HA HIS A 18 66.970 -0.354 16.404 1.00 0.00 H new ATOM 0 HB2 HIS A 18 66.943 -3.048 17.188 1.00 0.00 H new ATOM 0 HB3 HIS A 18 65.830 -3.065 15.835 1.00 0.00 H new ATOM 0 HD2 HIS A 18 67.608 -0.857 13.938 1.00 0.00 H new ATOM 0 HE1 HIS A 18 70.612 -3.793 14.257 1.00 0.00 H new ATOM 0 HE2 HIS A 18 69.872 -1.717 12.917 1.00 0.00 H new ATOM 266 N ILE A 19 63.768 -0.918 16.400 1.00 0.00 N ATOM 267 CA ILE A 19 62.485 -0.650 15.723 1.00 0.00 C ATOM 268 C ILE A 19 61.858 0.615 16.298 1.00 0.00 C ATOM 269 O ILE A 19 61.465 0.643 17.467 1.00 0.00 O ATOM 270 CB ILE A 19 61.509 -1.850 15.907 1.00 0.00 C ATOM 271 CG1 ILE A 19 62.033 -3.088 15.129 1.00 0.00 C ATOM 272 CG2 ILE A 19 60.081 -1.500 15.388 1.00 0.00 C ATOM 273 CD1 ILE A 19 61.549 -4.398 15.782 1.00 0.00 C ATOM 0 H ILE A 19 63.667 -1.223 17.368 1.00 0.00 H new ATOM 0 HA ILE A 19 62.673 -0.514 14.658 1.00 0.00 H new ATOM 0 HB ILE A 19 61.455 -2.071 16.973 1.00 0.00 H new ATOM 0 HG12 ILE A 19 61.689 -3.044 14.095 1.00 0.00 H new ATOM 0 HG13 ILE A 19 63.123 -3.071 15.104 1.00 0.00 H new ATOM 0 HG21 ILE A 19 59.422 -2.357 15.530 1.00 0.00 H new ATOM 0 HG22 ILE A 19 59.691 -0.647 15.943 1.00 0.00 H new ATOM 0 HG23 ILE A 19 60.130 -1.251 14.328 1.00 0.00 H new ATOM 0 HD11 ILE A 19 61.930 -5.249 15.217 1.00 0.00 H new ATOM 0 HD12 ILE A 19 61.915 -4.450 16.808 1.00 0.00 H new ATOM 0 HD13 ILE A 19 60.459 -4.423 15.784 1.00 0.00 H new ATOM 285 N CYS A 20 61.733 1.636 15.455 1.00 0.00 N ATOM 286 CA CYS A 20 61.111 2.889 15.874 1.00 0.00 C ATOM 287 C CYS A 20 59.596 2.678 15.966 1.00 0.00 C ATOM 288 O CYS A 20 59.048 1.825 15.275 1.00 0.00 O ATOM 289 CB CYS A 20 61.468 4.002 14.875 1.00 0.00 C ATOM 290 SG CYS A 20 60.559 5.509 15.275 1.00 0.00 S ATOM 0 H CYS A 20 62.051 1.622 14.486 1.00 0.00 H new ATOM 0 HA CYS A 20 61.480 3.193 16.853 1.00 0.00 H new ATOM 0 HB2 CYS A 20 62.540 4.196 14.903 1.00 0.00 H new ATOM 0 HB3 CYS A 20 61.229 3.682 13.861 1.00 0.00 H new ATOM 0 HG CYS A 20 61.289 6.545 14.986 1.00 0.00 H new ATOM 295 N ALA A 21 58.928 3.433 16.836 1.00 0.00 N ATOM 296 CA ALA A 21 57.482 3.297 17.019 1.00 0.00 C ATOM 297 C ALA A 21 56.718 3.962 15.878 1.00 0.00 C ATOM 298 O ALA A 21 55.516 3.729 15.722 1.00 0.00 O ATOM 299 CB ALA A 21 57.077 3.957 18.336 1.00 0.00 C ATOM 0 H ALA A 21 59.362 4.144 17.425 1.00 0.00 H new ATOM 0 HA ALA A 21 57.237 2.235 17.031 1.00 0.00 H new ATOM 0 HB1 ALA A 21 56.001 3.858 18.477 1.00 0.00 H new ATOM 0 HB2 ALA A 21 57.597 3.471 19.162 1.00 0.00 H new ATOM 0 HB3 ALA A 21 57.344 5.013 18.311 1.00 0.00 H new ATOM 305 N ILE A 22 57.440 4.800 15.120 1.00 0.00 N ATOM 306 CA ILE A 22 56.889 5.569 13.989 1.00 0.00 C ATOM 307 C ILE A 22 57.526 5.106 12.669 1.00 0.00 C ATOM 308 O ILE A 22 56.895 4.400 11.882 1.00 0.00 O ATOM 309 CB ILE A 22 57.160 7.089 14.229 1.00 0.00 C ATOM 310 CG1 ILE A 22 56.306 7.604 15.424 1.00 0.00 C ATOM 311 CG2 ILE A 22 56.809 7.945 12.978 1.00 0.00 C ATOM 312 CD1 ILE A 22 56.999 8.783 16.133 1.00 0.00 C ATOM 0 H ILE A 22 58.434 4.966 15.275 1.00 0.00 H new ATOM 0 HA ILE A 22 55.814 5.401 13.920 1.00 0.00 H new ATOM 0 HB ILE A 22 58.224 7.192 14.442 1.00 0.00 H new ATOM 0 HG12 ILE A 22 55.325 7.917 15.066 1.00 0.00 H new ATOM 0 HG13 ILE A 22 56.143 6.794 16.134 1.00 0.00 H new ATOM 0 HG21 ILE A 22 57.012 8.995 13.187 1.00 0.00 H new ATOM 0 HG22 ILE A 22 57.415 7.620 12.133 1.00 0.00 H new ATOM 0 HG23 ILE A 22 55.753 7.821 12.737 1.00 0.00 H new ATOM 0 HD11 ILE A 22 56.380 9.123 16.964 1.00 0.00 H new ATOM 0 HD12 ILE A 22 57.969 8.461 16.511 1.00 0.00 H new ATOM 0 HD13 ILE A 22 57.139 9.601 15.426 1.00 0.00 H new ATOM 324 N CYS A 23 58.753 5.564 12.408 1.00 0.00 N ATOM 325 CA CYS A 23 59.459 5.267 11.163 1.00 0.00 C ATOM 326 C CYS A 23 59.739 3.784 10.987 1.00 0.00 C ATOM 327 O CYS A 23 60.143 3.353 9.905 1.00 0.00 O ATOM 328 CB CYS A 23 60.784 6.022 11.141 1.00 0.00 C ATOM 329 SG CYS A 23 60.626 7.597 12.026 1.00 0.00 S ATOM 0 H CYS A 23 59.283 6.150 13.054 1.00 0.00 H new ATOM 0 HA CYS A 23 58.812 5.582 10.344 1.00 0.00 H new ATOM 0 HB2 CYS A 23 61.564 5.415 11.601 1.00 0.00 H new ATOM 0 HB3 CYS A 23 61.089 6.205 10.111 1.00 0.00 H new ATOM 0 HG CYS A 23 60.601 7.375 13.307 1.00 0.00 H new ATOM 334 N GLY A 24 59.514 3.017 12.041 1.00 0.00 N ATOM 335 CA GLY A 24 59.727 1.584 12.002 1.00 0.00 C ATOM 336 C GLY A 24 61.193 1.190 12.142 1.00 0.00 C ATOM 337 O GLY A 24 61.458 0.030 12.425 1.00 0.00 O ATOM 0 H GLY A 24 59.182 3.368 12.939 1.00 0.00 H new ATOM 0 HA2 GLY A 24 59.154 1.116 12.803 1.00 0.00 H new ATOM 0 HA3 GLY A 24 59.340 1.191 11.062 1.00 0.00 H new ATOM 341 N ASN A 25 62.155 2.123 11.924 1.00 0.00 N ATOM 342 CA ASN A 25 63.594 1.746 12.036 1.00 0.00 C ATOM 343 C ASN A 25 64.600 2.943 12.100 1.00 0.00 C ATOM 344 O ASN A 25 65.808 2.725 11.933 1.00 0.00 O ATOM 345 CB ASN A 25 63.948 0.805 10.844 1.00 0.00 C ATOM 346 CG ASN A 25 64.054 -0.643 11.320 1.00 0.00 C ATOM 347 OD1 ASN A 25 64.992 -1.003 12.035 1.00 0.00 O ATOM 348 ND2 ASN A 25 63.145 -1.500 10.952 1.00 0.00 N ATOM 0 H ASN A 25 61.978 3.098 11.681 1.00 0.00 H new ATOM 0 HA ASN A 25 63.708 1.247 12.998 1.00 0.00 H new ATOM 0 HB2 ASN A 25 63.184 0.885 10.070 1.00 0.00 H new ATOM 0 HB3 ASN A 25 64.891 1.116 10.394 1.00 0.00 H new ATOM 0 HD21 ASN A 25 63.208 -2.472 11.255 1.00 0.00 H new ATOM 0 HD22 ASN A 25 62.370 -1.199 10.361 1.00 0.00 H new ATOM 355 N ASN A 26 64.140 4.172 12.408 1.00 0.00 N ATOM 356 CA ASN A 26 65.067 5.347 12.523 1.00 0.00 C ATOM 357 C ASN A 26 65.512 5.598 13.979 1.00 0.00 C ATOM 358 O ASN A 26 66.149 6.613 14.279 1.00 0.00 O ATOM 359 CB ASN A 26 64.434 6.607 11.925 1.00 0.00 C ATOM 360 CG ASN A 26 64.240 6.421 10.416 1.00 0.00 C ATOM 361 OD1 ASN A 26 63.580 5.485 9.970 1.00 0.00 O ATOM 362 ND2 ASN A 26 64.777 7.289 9.601 1.00 0.00 N ATOM 0 H ASN A 26 63.158 4.388 12.581 1.00 0.00 H new ATOM 0 HA ASN A 26 65.961 5.103 11.949 1.00 0.00 H new ATOM 0 HB2 ASN A 26 63.475 6.806 12.403 1.00 0.00 H new ATOM 0 HB3 ASN A 26 65.070 7.471 12.116 1.00 0.00 H new ATOM 0 HD21 ASN A 26 64.649 7.190 8.594 1.00 0.00 H new ATOM 0 HD22 ASN A 26 65.325 8.066 9.972 1.00 0.00 H new ATOM 369 N ALA A 27 65.182 4.651 14.855 1.00 0.00 N ATOM 370 CA ALA A 27 65.532 4.718 16.278 1.00 0.00 C ATOM 371 C ALA A 27 66.938 4.159 16.475 1.00 0.00 C ATOM 372 O ALA A 27 67.128 3.111 17.100 1.00 0.00 O ATOM 373 CB ALA A 27 64.493 3.931 17.095 1.00 0.00 C ATOM 0 H ALA A 27 64.662 3.811 14.600 1.00 0.00 H new ATOM 0 HA ALA A 27 65.524 5.751 16.625 1.00 0.00 H new ATOM 0 HB1 ALA A 27 64.750 3.979 18.153 1.00 0.00 H new ATOM 0 HB2 ALA A 27 63.505 4.365 16.942 1.00 0.00 H new ATOM 0 HB3 ALA A 27 64.487 2.891 16.770 1.00 0.00 H new ATOM 379 N GLU A 28 67.917 4.889 15.918 1.00 0.00 N ATOM 380 CA GLU A 28 69.345 4.525 15.990 1.00 0.00 C ATOM 381 C GLU A 28 70.188 5.773 16.222 1.00 0.00 C ATOM 382 O GLU A 28 71.153 5.729 16.987 1.00 0.00 O ATOM 383 CB GLU A 28 69.824 3.863 14.680 1.00 0.00 C ATOM 384 CG GLU A 28 68.898 2.708 14.272 1.00 0.00 C ATOM 385 CD GLU A 28 69.641 1.698 13.412 1.00 0.00 C ATOM 386 OE1 GLU A 28 70.059 2.044 12.320 1.00 0.00 O ATOM 387 OE2 GLU A 28 69.761 0.572 13.860 1.00 0.00 O ATOM 0 H GLU A 28 67.742 5.752 15.403 1.00 0.00 H new ATOM 0 HA GLU A 28 69.460 3.821 16.814 1.00 0.00 H new ATOM 0 HB2 GLU A 28 69.855 4.607 13.884 1.00 0.00 H new ATOM 0 HB3 GLU A 28 70.840 3.490 14.808 1.00 0.00 H new ATOM 0 HG2 GLU A 28 68.508 2.216 15.163 1.00 0.00 H new ATOM 0 HG3 GLU A 28 68.041 3.099 13.723 1.00 0.00 H new ATOM 394 N ASP A 29 69.824 6.873 15.555 1.00 0.00 N ATOM 395 CA ASP A 29 70.582 8.135 15.702 1.00 0.00 C ATOM 396 C ASP A 29 69.797 9.363 15.226 1.00 0.00 C ATOM 397 O ASP A 29 69.490 10.245 16.030 1.00 0.00 O ATOM 398 CB ASP A 29 71.901 8.052 14.927 1.00 0.00 C ATOM 399 CG ASP A 29 73.040 7.665 15.864 1.00 0.00 C ATOM 400 OD1 ASP A 29 73.477 8.517 16.619 1.00 0.00 O ATOM 401 OD2 ASP A 29 73.450 6.514 15.818 1.00 0.00 O ATOM 0 H ASP A 29 69.028 6.924 14.919 1.00 0.00 H new ATOM 0 HA ASP A 29 70.772 8.259 16.768 1.00 0.00 H new ATOM 0 HB2 ASP A 29 71.815 7.318 14.126 1.00 0.00 H new ATOM 0 HB3 ASP A 29 72.117 9.012 14.458 1.00 0.00 H new ATOM 406 N TYR A 30 69.496 9.423 13.925 1.00 0.00 N ATOM 407 CA TYR A 30 68.773 10.547 13.350 1.00 0.00 C ATOM 408 C TYR A 30 67.287 10.392 13.608 1.00 0.00 C ATOM 409 O TYR A 30 66.772 9.273 13.554 1.00 0.00 O ATOM 410 CB TYR A 30 69.034 10.593 11.845 1.00 0.00 C ATOM 411 CG TYR A 30 70.518 10.906 11.595 1.00 0.00 C ATOM 412 CD1 TYR A 30 70.951 12.231 11.624 1.00 0.00 C ATOM 413 CD2 TYR A 30 71.427 9.873 11.330 1.00 0.00 C ATOM 414 CE1 TYR A 30 72.294 12.536 11.385 1.00 0.00 C ATOM 415 CE2 TYR A 30 72.775 10.180 11.093 1.00 0.00 C ATOM 416 CZ TYR A 30 73.212 11.508 11.122 1.00 0.00 C ATOM 417 OH TYR A 30 74.539 11.806 10.886 1.00 0.00 O ATOM 0 H TYR A 30 69.746 8.699 13.252 1.00 0.00 H new ATOM 0 HA TYR A 30 69.116 11.474 13.810 1.00 0.00 H new ATOM 0 HB2 TYR A 30 68.770 9.639 11.389 1.00 0.00 H new ATOM 0 HB3 TYR A 30 68.407 11.353 11.379 1.00 0.00 H new ATOM 0 HD1 TYR A 30 70.247 13.023 11.832 1.00 0.00 H new ATOM 0 HD2 TYR A 30 71.092 8.847 11.308 1.00 0.00 H new ATOM 0 HE1 TYR A 30 72.625 13.564 11.403 1.00 0.00 H new ATOM 0 HE2 TYR A 30 73.479 9.387 10.887 1.00 0.00 H new ATOM 0 HH TYR A 30 75.036 10.977 10.723 1.00 0.00 H new ATOM 427 N LYS A 31 66.624 11.522 13.893 1.00 0.00 N ATOM 428 CA LYS A 31 65.185 11.548 14.175 1.00 0.00 C ATOM 429 C LYS A 31 64.511 12.553 13.247 1.00 0.00 C ATOM 430 O LYS A 31 63.645 13.326 13.661 1.00 0.00 O ATOM 431 CB LYS A 31 64.942 11.931 15.656 1.00 0.00 C ATOM 432 CG LYS A 31 65.535 10.860 16.615 1.00 0.00 C ATOM 433 CD LYS A 31 65.287 11.257 18.096 1.00 0.00 C ATOM 434 CE LYS A 31 65.865 10.200 19.056 1.00 0.00 C ATOM 435 NZ LYS A 31 65.599 10.625 20.459 1.00 0.00 N ATOM 0 H LYS A 31 67.069 12.439 13.934 1.00 0.00 H new ATOM 0 HA LYS A 31 64.760 10.559 14.002 1.00 0.00 H new ATOM 0 HB2 LYS A 31 65.395 12.900 15.863 1.00 0.00 H new ATOM 0 HB3 LYS A 31 63.872 12.034 15.838 1.00 0.00 H new ATOM 0 HG2 LYS A 31 65.081 9.890 16.412 1.00 0.00 H new ATOM 0 HG3 LYS A 31 66.605 10.755 16.435 1.00 0.00 H new ATOM 0 HD2 LYS A 31 65.745 12.226 18.298 1.00 0.00 H new ATOM 0 HD3 LYS A 31 64.217 11.367 18.272 1.00 0.00 H new ATOM 0 HE2 LYS A 31 65.411 9.228 18.864 1.00 0.00 H new ATOM 0 HE3 LYS A 31 66.937 10.089 18.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 65.986 9.917 21.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 66.052 11.544 20.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 64.573 10.710 20.607 1.00 0.00 H new ATOM 449 N HIS A 32 64.923 12.534 11.981 1.00 0.00 N ATOM 450 CA HIS A 32 64.352 13.447 10.982 1.00 0.00 C ATOM 451 C HIS A 32 63.007 12.953 10.464 1.00 0.00 C ATOM 452 O HIS A 32 62.116 13.752 10.180 1.00 0.00 O ATOM 453 CB HIS A 32 65.303 13.611 9.801 1.00 0.00 C ATOM 454 CG HIS A 32 66.226 14.770 10.054 1.00 0.00 C ATOM 455 ND1 HIS A 32 65.794 16.085 9.999 1.00 0.00 N ATOM 456 CD2 HIS A 32 67.561 14.825 10.367 1.00 0.00 C ATOM 457 CE1 HIS A 32 66.851 16.871 10.274 1.00 0.00 C ATOM 458 NE2 HIS A 32 67.954 16.156 10.505 1.00 0.00 N ATOM 0 H HIS A 32 65.642 11.906 11.621 1.00 0.00 H new ATOM 0 HA HIS A 32 64.204 14.406 11.479 1.00 0.00 H new ATOM 0 HB2 HIS A 32 65.881 12.698 9.657 1.00 0.00 H new ATOM 0 HB3 HIS A 32 64.736 13.778 8.885 1.00 0.00 H new ATOM 0 HD2 HIS A 32 68.208 13.969 10.488 1.00 0.00 H new ATOM 0 HE1 HIS A 32 66.812 17.950 10.304 1.00 0.00 H new ATOM 0 HE2 HIS A 32 68.884 16.507 10.733 1.00 0.00 H new ATOM 466 N THR A 33 62.880 11.634 10.331 1.00 0.00 N ATOM 467 CA THR A 33 61.652 11.022 9.820 1.00 0.00 C ATOM 468 C THR A 33 60.595 10.935 10.911 1.00 0.00 C ATOM 469 O THR A 33 59.428 10.653 10.635 1.00 0.00 O ATOM 470 CB THR A 33 61.954 9.611 9.312 1.00 0.00 C ATOM 471 OG1 THR A 33 62.731 8.933 10.284 1.00 0.00 O ATOM 472 CG2 THR A 33 62.724 9.666 7.984 1.00 0.00 C ATOM 0 H THR A 33 63.613 10.966 10.570 1.00 0.00 H new ATOM 0 HA THR A 33 61.274 11.643 9.008 1.00 0.00 H new ATOM 0 HB THR A 33 61.016 9.083 9.143 1.00 0.00 H new ATOM 0 HG1 THR A 33 62.171 8.280 10.753 1.00 0.00 H new ATOM 0 HG21 THR A 33 62.929 8.652 7.640 1.00 0.00 H new ATOM 0 HG22 THR A 33 62.125 10.188 7.238 1.00 0.00 H new ATOM 0 HG23 THR A 33 63.665 10.196 8.131 1.00 0.00 H new ATOM 480 N ASP A 34 61.008 11.164 12.151 1.00 0.00 N ATOM 481 CA ASP A 34 60.073 11.086 13.275 1.00 0.00 C ATOM 482 C ASP A 34 59.020 12.178 13.161 1.00 0.00 C ATOM 483 O ASP A 34 57.869 11.985 13.554 1.00 0.00 O ATOM 484 CB ASP A 34 60.817 11.228 14.613 1.00 0.00 C ATOM 485 CG ASP A 34 61.397 9.884 15.060 1.00 0.00 C ATOM 486 OD1 ASP A 34 60.634 8.957 15.253 1.00 0.00 O ATOM 487 OD2 ASP A 34 62.606 9.795 15.169 1.00 0.00 O ATOM 0 H ASP A 34 61.967 11.402 12.406 1.00 0.00 H new ATOM 0 HA ASP A 34 59.587 10.111 13.244 1.00 0.00 H new ATOM 0 HB2 ASP A 34 61.619 11.959 14.512 1.00 0.00 H new ATOM 0 HB3 ASP A 34 60.135 11.606 15.375 1.00 0.00 H new ATOM 492 N MET A 35 59.424 13.324 12.621 1.00 0.00 N ATOM 493 CA MET A 35 58.509 14.452 12.459 1.00 0.00 C ATOM 494 C MET A 35 57.506 14.163 11.343 1.00 0.00 C ATOM 495 O MET A 35 57.891 13.734 10.254 1.00 0.00 O ATOM 496 CB MET A 35 59.294 15.736 12.122 1.00 0.00 C ATOM 497 CG MET A 35 60.124 16.213 13.335 1.00 0.00 C ATOM 498 SD MET A 35 61.213 17.579 12.829 1.00 0.00 S ATOM 499 CE MET A 35 60.152 18.982 13.277 1.00 0.00 C ATOM 0 H MET A 35 60.373 13.497 12.290 1.00 0.00 H new ATOM 0 HA MET A 35 57.973 14.596 13.397 1.00 0.00 H new ATOM 0 HB2 MET A 35 59.955 15.551 11.275 1.00 0.00 H new ATOM 0 HB3 MET A 35 58.601 16.521 11.820 1.00 0.00 H new ATOM 0 HG2 MET A 35 59.461 16.540 14.136 1.00 0.00 H new ATOM 0 HG3 MET A 35 60.717 15.388 13.729 1.00 0.00 H new ATOM 0 HE1 MET A 35 60.661 19.915 13.036 1.00 0.00 H new ATOM 0 HE2 MET A 35 59.217 18.924 12.719 1.00 0.00 H new ATOM 0 HE3 MET A 35 59.939 18.951 14.346 1.00 0.00 H new ATOM 509 N ASP A 36 56.222 14.409 11.637 1.00 0.00 N ATOM 510 CA ASP A 36 55.140 14.180 10.676 1.00 0.00 C ATOM 511 C ASP A 36 54.969 15.387 9.759 1.00 0.00 C ATOM 512 O ASP A 36 54.236 16.324 10.080 1.00 0.00 O ATOM 513 CB ASP A 36 53.833 13.925 11.431 1.00 0.00 C ATOM 514 CG ASP A 36 52.673 13.817 10.448 1.00 0.00 C ATOM 515 OD1 ASP A 36 52.702 12.920 9.618 1.00 0.00 O ATOM 516 OD2 ASP A 36 51.771 14.636 10.531 1.00 0.00 O ATOM 0 H ASP A 36 55.909 14.769 12.539 1.00 0.00 H new ATOM 0 HA ASP A 36 55.393 13.312 10.067 1.00 0.00 H new ATOM 0 HB2 ASP A 36 53.913 13.007 12.013 1.00 0.00 H new ATOM 0 HB3 ASP A 36 53.648 14.735 12.137 1.00 0.00 H new ATOM 521 N LEU A 37 55.651 15.345 8.617 1.00 0.00 N ATOM 522 CA LEU A 37 55.587 16.426 7.634 1.00 0.00 C ATOM 523 C LEU A 37 54.271 16.346 6.872 1.00 0.00 C ATOM 524 O LEU A 37 53.718 15.263 6.679 1.00 0.00 O ATOM 525 CB LEU A 37 56.761 16.325 6.631 1.00 0.00 C ATOM 526 CG LEU A 37 58.144 16.113 7.339 1.00 0.00 C ATOM 527 CD1 LEU A 37 59.289 16.140 6.309 1.00 0.00 C ATOM 528 CD2 LEU A 37 58.436 17.197 8.398 1.00 0.00 C ATOM 0 H LEU A 37 56.257 14.570 8.348 1.00 0.00 H new ATOM 0 HA LEU A 37 55.656 17.377 8.163 1.00 0.00 H new ATOM 0 HB2 LEU A 37 56.578 15.498 5.945 1.00 0.00 H new ATOM 0 HB3 LEU A 37 56.800 17.234 6.031 1.00 0.00 H new ATOM 0 HG LEU A 37 58.087 15.142 7.832 1.00 0.00 H new ATOM 0 HD11 LEU A 37 60.241 15.991 6.819 1.00 0.00 H new ATOM 0 HD12 LEU A 37 59.140 15.344 5.579 1.00 0.00 H new ATOM 0 HD13 LEU A 37 59.297 17.103 5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 37 59.405 17.004 8.858 1.00 0.00 H new ATOM 0 HD22 LEU A 37 58.449 18.177 7.921 1.00 0.00 H new ATOM 0 HD23 LEU A 37 57.660 17.176 9.163 1.00 0.00 H new ATOM 540 N THR A 38 53.772 17.500 6.449 1.00 0.00 N ATOM 541 CA THR A 38 52.510 17.562 5.712 1.00 0.00 C ATOM 542 C THR A 38 52.628 16.831 4.376 1.00 0.00 C ATOM 543 O THR A 38 51.730 16.082 3.988 1.00 0.00 O ATOM 544 CB THR A 38 52.118 19.023 5.459 1.00 0.00 C ATOM 545 OG1 THR A 38 53.249 19.731 4.971 1.00 0.00 O ATOM 546 CG2 THR A 38 51.618 19.678 6.753 1.00 0.00 C ATOM 0 H THR A 38 54.218 18.405 6.601 1.00 0.00 H new ATOM 0 HA THR A 38 51.741 17.077 6.314 1.00 0.00 H new ATOM 0 HB THR A 38 51.315 19.053 4.723 1.00 0.00 H new ATOM 0 HG1 THR A 38 53.004 20.665 4.806 1.00 0.00 H new ATOM 0 HG21 THR A 38 51.344 20.714 6.554 1.00 0.00 H new ATOM 0 HG22 THR A 38 50.746 19.137 7.121 1.00 0.00 H new ATOM 0 HG23 THR A 38 52.407 19.649 7.504 1.00 0.00 H new ATOM 554 N TYR A 39 53.744 17.056 3.685 1.00 0.00 N ATOM 555 CA TYR A 39 53.990 16.423 2.389 1.00 0.00 C ATOM 556 C TYR A 39 54.342 14.945 2.579 1.00 0.00 C ATOM 557 O TYR A 39 55.076 14.589 3.500 1.00 0.00 O ATOM 558 CB TYR A 39 55.138 17.154 1.674 1.00 0.00 C ATOM 559 CG TYR A 39 55.373 16.538 0.287 1.00 0.00 C ATOM 560 CD1 TYR A 39 54.489 16.854 -0.754 1.00 0.00 C ATOM 561 CD2 TYR A 39 56.453 15.679 0.049 1.00 0.00 C ATOM 562 CE1 TYR A 39 54.686 16.307 -2.024 1.00 0.00 C ATOM 563 CE2 TYR A 39 56.648 15.135 -1.224 1.00 0.00 C ATOM 564 CZ TYR A 39 55.765 15.449 -2.261 1.00 0.00 C ATOM 565 OH TYR A 39 55.960 14.912 -3.516 1.00 0.00 O ATOM 0 H TYR A 39 54.493 17.672 4.000 1.00 0.00 H new ATOM 0 HA TYR A 39 53.088 16.487 1.781 1.00 0.00 H new ATOM 0 HB2 TYR A 39 54.899 18.213 1.575 1.00 0.00 H new ATOM 0 HB3 TYR A 39 56.049 17.087 2.269 1.00 0.00 H new ATOM 0 HD1 TYR A 39 53.657 17.519 -0.574 1.00 0.00 H new ATOM 0 HD2 TYR A 39 57.136 15.436 0.850 1.00 0.00 H new ATOM 0 HE1 TYR A 39 54.003 16.547 -2.825 1.00 0.00 H new ATOM 0 HE2 TYR A 39 57.481 14.472 -1.406 1.00 0.00 H new ATOM 0 HH TYR A 39 56.755 14.339 -3.507 1.00 0.00 H new ATOM 575 N THR A 40 53.804 14.086 1.711 1.00 0.00 N ATOM 576 CA THR A 40 54.069 12.654 1.814 1.00 0.00 C ATOM 577 C THR A 40 55.556 12.375 1.594 1.00 0.00 C ATOM 578 O THR A 40 56.132 12.802 0.593 1.00 0.00 O ATOM 579 CB THR A 40 53.235 11.894 0.765 1.00 0.00 C ATOM 580 OG1 THR A 40 51.995 12.562 0.589 1.00 0.00 O ATOM 581 CG2 THR A 40 52.965 10.446 1.211 1.00 0.00 C ATOM 0 H THR A 40 53.191 14.353 0.941 1.00 0.00 H new ATOM 0 HA THR A 40 53.791 12.314 2.812 1.00 0.00 H new ATOM 0 HB THR A 40 53.795 11.869 -0.170 1.00 0.00 H new ATOM 0 HG1 THR A 40 51.459 12.086 -0.079 1.00 0.00 H new ATOM 0 HG21 THR A 40 52.374 9.935 0.450 1.00 0.00 H new ATOM 0 HG22 THR A 40 53.912 9.924 1.346 1.00 0.00 H new ATOM 0 HG23 THR A 40 52.417 10.452 2.153 1.00 0.00 H new ATOM 589 N ASP A 41 56.157 11.653 2.543 1.00 0.00 N ATOM 590 CA ASP A 41 57.578 11.305 2.475 1.00 0.00 C ATOM 591 C ASP A 41 57.798 10.103 1.559 1.00 0.00 C ATOM 592 O ASP A 41 57.311 9.007 1.835 1.00 0.00 O ATOM 593 CB ASP A 41 58.084 10.969 3.881 1.00 0.00 C ATOM 594 CG ASP A 41 59.576 10.652 3.840 1.00 0.00 C ATOM 595 OD1 ASP A 41 60.334 11.534 3.493 1.00 0.00 O ATOM 596 OD2 ASP A 41 59.932 9.526 4.163 1.00 0.00 O ATOM 0 H ASP A 41 55.679 11.297 3.371 1.00 0.00 H new ATOM 0 HA ASP A 41 58.127 12.156 2.071 1.00 0.00 H new ATOM 0 HB2 ASP A 41 57.901 11.808 4.552 1.00 0.00 H new ATOM 0 HB3 ASP A 41 57.534 10.117 4.280 1.00 0.00 H new ATOM 601 N ARG A 42 58.539 10.314 0.473 1.00 0.00 N ATOM 602 CA ARG A 42 58.820 9.236 -0.474 1.00 0.00 C ATOM 603 C ARG A 42 59.770 8.227 0.168 1.00 0.00 C ATOM 604 O ARG A 42 60.672 8.601 0.920 1.00 0.00 O ATOM 605 CB ARG A 42 59.462 9.815 -1.749 1.00 0.00 C ATOM 606 CG ARG A 42 59.267 8.866 -2.962 1.00 0.00 C ATOM 607 CD ARG A 42 60.107 9.341 -4.162 1.00 0.00 C ATOM 608 NE ARG A 42 61.532 9.131 -3.907 1.00 0.00 N ATOM 609 CZ ARG A 42 62.459 9.526 -4.766 1.00 0.00 C ATOM 610 NH1 ARG A 42 62.113 10.113 -5.878 1.00 0.00 N ATOM 611 NH2 ARG A 42 63.720 9.329 -4.500 1.00 0.00 N ATOM 0 H ARG A 42 58.953 11.213 0.228 1.00 0.00 H new ATOM 0 HA ARG A 42 57.887 8.738 -0.739 1.00 0.00 H new ATOM 0 HB2 ARG A 42 59.021 10.787 -1.971 1.00 0.00 H new ATOM 0 HB3 ARG A 42 60.526 9.979 -1.580 1.00 0.00 H new ATOM 0 HG2 ARG A 42 59.556 7.852 -2.687 1.00 0.00 H new ATOM 0 HG3 ARG A 42 58.213 8.833 -3.239 1.00 0.00 H new ATOM 0 HD2 ARG A 42 59.809 8.799 -5.059 1.00 0.00 H new ATOM 0 HD3 ARG A 42 59.917 10.398 -4.350 1.00 0.00 H new ATOM 0 HE ARG A 42 61.819 8.668 -3.045 1.00 0.00 H new ATOM 0 HH11 ARG A 42 61.127 10.269 -6.087 1.00 0.00 H new ATOM 0 HH12 ARG A 42 62.829 10.417 -6.538 1.00 0.00 H new ATOM 0 HH21 ARG A 42 63.992 8.871 -3.630 1.00 0.00 H new ATOM 0 HH22 ARG A 42 64.434 9.633 -5.162 1.00 0.00 H new ATOM 625 N ASP A 43 59.561 6.952 -0.132 1.00 0.00 N ATOM 626 CA ASP A 43 60.405 5.903 0.424 1.00 0.00 C ATOM 627 C ASP A 43 61.839 6.065 -0.066 1.00 0.00 C ATOM 628 O ASP A 43 62.072 6.386 -1.230 1.00 0.00 O ATOM 629 CB ASP A 43 59.869 4.533 -0.001 1.00 0.00 C ATOM 630 CG ASP A 43 58.461 4.330 0.549 1.00 0.00 C ATOM 631 OD1 ASP A 43 58.307 4.365 1.756 1.00 0.00 O ATOM 632 OD2 ASP A 43 57.557 4.153 -0.255 1.00 0.00 O ATOM 0 H ASP A 43 58.821 6.621 -0.752 1.00 0.00 H new ATOM 0 HA ASP A 43 60.392 5.979 1.511 1.00 0.00 H new ATOM 0 HB2 ASP A 43 59.858 4.459 -1.088 1.00 0.00 H new ATOM 0 HB3 ASP A 43 60.528 3.746 0.365 1.00 0.00 H new ATOM 637 N TYR A 44 62.793 5.839 0.835 1.00 0.00 N ATOM 638 CA TYR A 44 64.207 5.964 0.491 1.00 0.00 C ATOM 639 C TYR A 44 64.647 4.792 -0.379 1.00 0.00 C ATOM 640 O TYR A 44 64.253 3.651 -0.124 1.00 0.00 O ATOM 641 CB TYR A 44 65.053 5.987 1.765 1.00 0.00 C ATOM 642 CG TYR A 44 64.717 7.240 2.582 1.00 0.00 C ATOM 643 CD1 TYR A 44 63.695 7.197 3.540 1.00 0.00 C ATOM 644 CD2 TYR A 44 65.432 8.426 2.377 1.00 0.00 C ATOM 645 CE1 TYR A 44 63.391 8.337 4.291 1.00 0.00 C ATOM 646 CE2 TYR A 44 65.126 9.571 3.127 1.00 0.00 C ATOM 647 CZ TYR A 44 64.107 9.528 4.085 1.00 0.00 C ATOM 648 OH TYR A 44 63.807 10.653 4.825 1.00 0.00 O ATOM 0 H TYR A 44 62.614 5.570 1.803 1.00 0.00 H new ATOM 0 HA TYR A 44 64.347 6.894 -0.060 1.00 0.00 H new ATOM 0 HB2 TYR A 44 64.861 5.092 2.357 1.00 0.00 H new ATOM 0 HB3 TYR A 44 66.113 5.980 1.510 1.00 0.00 H new ATOM 0 HD1 TYR A 44 63.142 6.283 3.698 1.00 0.00 H new ATOM 0 HD2 TYR A 44 66.221 8.459 1.640 1.00 0.00 H new ATOM 0 HE1 TYR A 44 62.605 8.302 5.030 1.00 0.00 H new ATOM 0 HE2 TYR A 44 65.677 10.486 2.965 1.00 0.00 H new ATOM 0 HH TYR A 44 64.398 11.388 4.557 1.00 0.00 H new ATOM 658 N LYS A 45 65.465 5.089 -1.396 1.00 0.00 N ATOM 659 CA LYS A 45 65.980 4.063 -2.313 1.00 0.00 C ATOM 660 C LYS A 45 67.317 4.518 -2.894 1.00 0.00 C ATOM 661 O LYS A 45 67.470 5.681 -3.275 1.00 0.00 O ATOM 662 CB LYS A 45 64.974 3.814 -3.464 1.00 0.00 C ATOM 663 CG LYS A 45 65.210 2.431 -4.142 1.00 0.00 C ATOM 664 CD LYS A 45 64.171 2.187 -5.272 1.00 0.00 C ATOM 665 CE LYS A 45 64.402 0.819 -5.949 1.00 0.00 C ATOM 666 NZ LYS A 45 63.381 0.621 -7.018 1.00 0.00 N ATOM 0 H LYS A 45 65.786 6.034 -1.606 1.00 0.00 H new ATOM 0 HA LYS A 45 66.118 3.135 -1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 45 63.957 3.861 -3.075 1.00 0.00 H new ATOM 0 HB3 LYS A 45 65.068 4.605 -4.208 1.00 0.00 H new ATOM 0 HG2 LYS A 45 66.218 2.390 -4.554 1.00 0.00 H new ATOM 0 HG3 LYS A 45 65.137 1.638 -3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 45 63.163 2.227 -4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 45 64.243 2.981 -6.015 1.00 0.00 H new ATOM 0 HE2 LYS A 45 65.404 0.775 -6.375 1.00 0.00 H new ATOM 0 HE3 LYS A 45 64.334 0.019 -5.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 63.533 -0.300 -7.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 62.430 0.646 -6.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 63.467 1.379 -7.725 1.00 0.00 H new ATOM 680 N ASN A 46 68.269 3.580 -2.951 1.00 0.00 N ATOM 681 CA ASN A 46 69.609 3.843 -3.485 1.00 0.00 C ATOM 682 C ASN A 46 70.206 2.559 -4.050 1.00 0.00 C ATOM 683 O ASN A 46 70.086 1.490 -3.451 1.00 0.00 O ATOM 684 CB ASN A 46 70.527 4.386 -2.383 1.00 0.00 C ATOM 685 CG ASN A 46 70.133 5.814 -2.006 1.00 0.00 C ATOM 686 OD1 ASN A 46 70.117 6.702 -2.857 1.00 0.00 O ATOM 687 ND2 ASN A 46 69.812 6.088 -0.768 1.00 0.00 N ATOM 0 H ASN A 46 68.133 2.622 -2.630 1.00 0.00 H new ATOM 0 HA ASN A 46 69.524 4.586 -4.278 1.00 0.00 H new ATOM 0 HB2 ASN A 46 70.468 3.743 -1.505 1.00 0.00 H new ATOM 0 HB3 ASN A 46 71.562 4.367 -2.723 1.00 0.00 H new ATOM 0 HD21 ASN A 46 69.548 7.038 -0.508 1.00 0.00 H new ATOM 0 HD22 ASN A 46 69.825 5.351 -0.063 1.00 0.00 H new ATOM 694 N CYS A 47 70.852 2.674 -5.205 1.00 0.00 N ATOM 695 CA CYS A 47 71.469 1.519 -5.847 1.00 0.00 C ATOM 696 C CYS A 47 72.606 0.970 -4.991 1.00 0.00 C ATOM 697 O CYS A 47 72.818 -0.243 -4.928 1.00 0.00 O ATOM 698 CB CYS A 47 72.009 1.916 -7.223 1.00 0.00 C ATOM 699 SG CYS A 47 70.627 2.345 -8.312 1.00 0.00 S ATOM 0 H CYS A 47 70.962 3.551 -5.714 1.00 0.00 H new ATOM 0 HA CYS A 47 70.712 0.743 -5.962 1.00 0.00 H new ATOM 0 HB2 CYS A 47 72.688 2.763 -7.129 1.00 0.00 H new ATOM 0 HB3 CYS A 47 72.582 1.094 -7.652 1.00 0.00 H new ATOM 0 HG CYS A 47 71.085 2.685 -9.480 1.00 0.00 H new ATOM 705 N GLU A 48 73.338 1.870 -4.343 1.00 0.00 N ATOM 706 CA GLU A 48 74.459 1.467 -3.499 1.00 0.00 C ATOM 707 C GLU A 48 73.959 0.600 -2.346 1.00 0.00 C ATOM 708 O GLU A 48 72.885 0.845 -1.796 1.00 0.00 O ATOM 709 CB GLU A 48 75.169 2.717 -2.941 1.00 0.00 C ATOM 710 CG GLU A 48 76.632 2.407 -2.561 1.00 0.00 C ATOM 711 CD GLU A 48 77.243 3.583 -1.799 1.00 0.00 C ATOM 712 OE1 GLU A 48 76.696 4.671 -1.878 1.00 0.00 O ATOM 713 OE2 GLU A 48 78.256 3.371 -1.156 1.00 0.00 O ATOM 0 H GLU A 48 73.178 2.876 -4.385 1.00 0.00 H new ATOM 0 HA GLU A 48 75.164 0.891 -4.098 1.00 0.00 H new ATOM 0 HB2 GLU A 48 75.145 3.514 -3.684 1.00 0.00 H new ATOM 0 HB3 GLU A 48 74.633 3.082 -2.065 1.00 0.00 H new ATOM 0 HG2 GLU A 48 76.673 1.507 -1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 48 77.214 2.206 -3.461 1.00 0.00 H new ATOM 720 N SER A 49 74.751 -0.413 -1.996 1.00 0.00 N ATOM 721 CA SER A 49 74.402 -1.324 -0.907 1.00 0.00 C ATOM 722 C SER A 49 75.635 -2.077 -0.420 1.00 0.00 C ATOM 723 O SER A 49 76.654 -2.134 -1.112 1.00 0.00 O ATOM 724 CB SER A 49 73.341 -2.318 -1.374 1.00 0.00 C ATOM 725 OG SER A 49 73.781 -2.953 -2.567 1.00 0.00 O ATOM 0 H SER A 49 75.639 -0.623 -2.451 1.00 0.00 H new ATOM 0 HA SER A 49 74.004 -0.735 -0.081 1.00 0.00 H new ATOM 0 HB2 SER A 49 73.158 -3.062 -0.599 1.00 0.00 H new ATOM 0 HB3 SER A 49 72.397 -1.803 -1.550 1.00 0.00 H new ATOM 0 HG SER A 49 73.102 -3.593 -2.867 1.00 0.00 H new ATOM 731 N TYR A 50 75.520 -2.657 0.776 1.00 0.00 N ATOM 732 CA TYR A 50 76.604 -3.427 1.387 1.00 0.00 C ATOM 733 C TYR A 50 76.012 -4.381 2.418 1.00 0.00 C ATOM 734 O TYR A 50 75.151 -3.972 3.198 1.00 0.00 O ATOM 735 CB TYR A 50 77.621 -2.491 2.051 1.00 0.00 C ATOM 736 CG TYR A 50 78.819 -3.297 2.571 1.00 0.00 C ATOM 737 CD1 TYR A 50 79.824 -3.688 1.672 1.00 0.00 C ATOM 738 CD2 TYR A 50 78.928 -3.629 3.927 1.00 0.00 C ATOM 739 CE1 TYR A 50 80.929 -4.413 2.134 1.00 0.00 C ATOM 740 CE2 TYR A 50 80.035 -4.351 4.384 1.00 0.00 C ATOM 741 CZ TYR A 50 81.037 -4.748 3.491 1.00 0.00 C ATOM 742 OH TYR A 50 82.127 -5.457 3.947 1.00 0.00 O ATOM 0 H TYR A 50 74.676 -2.606 1.346 1.00 0.00 H new ATOM 0 HA TYR A 50 77.123 -3.996 0.616 1.00 0.00 H new ATOM 0 HB2 TYR A 50 77.960 -1.743 1.335 1.00 0.00 H new ATOM 0 HB3 TYR A 50 77.149 -1.954 2.874 1.00 0.00 H new ATOM 0 HD1 TYR A 50 79.745 -3.430 0.626 1.00 0.00 H new ATOM 0 HD2 TYR A 50 78.157 -3.327 4.620 1.00 0.00 H new ATOM 0 HE1 TYR A 50 81.701 -4.715 1.442 1.00 0.00 H new ATOM 0 HE2 TYR A 50 80.117 -4.603 5.431 1.00 0.00 H new ATOM 0 HH TYR A 50 82.042 -5.603 4.912 1.00 0.00 H new ATOM 752 N HIS A 51 76.511 -5.632 2.391 1.00 0.00 N ATOM 753 CA HIS A 51 76.083 -6.723 3.301 1.00 0.00 C ATOM 754 C HIS A 51 74.615 -6.578 3.729 1.00 0.00 C ATOM 755 O HIS A 51 74.323 -6.003 4.781 1.00 0.00 O ATOM 756 CB HIS A 51 76.980 -6.749 4.545 1.00 0.00 C ATOM 757 CG HIS A 51 78.306 -7.369 4.197 1.00 0.00 C ATOM 758 ND1 HIS A 51 78.965 -7.111 3.003 1.00 0.00 N ATOM 759 CD2 HIS A 51 79.107 -8.248 4.883 1.00 0.00 C ATOM 760 CE1 HIS A 51 80.109 -7.820 3.009 1.00 0.00 C ATOM 761 NE2 HIS A 51 80.242 -8.532 4.135 1.00 0.00 N ATOM 0 H HIS A 51 77.232 -5.921 1.730 1.00 0.00 H new ATOM 0 HA HIS A 51 76.178 -7.660 2.752 1.00 0.00 H new ATOM 0 HB2 HIS A 51 77.128 -5.736 4.921 1.00 0.00 H new ATOM 0 HB3 HIS A 51 76.499 -7.317 5.341 1.00 0.00 H new ATOM 0 HD2 HIS A 51 78.887 -8.657 5.858 1.00 0.00 H new ATOM 0 HE1 HIS A 51 80.830 -7.815 2.205 1.00 0.00 H new ATOM 0 HE2 HIS A 51 81.012 -9.151 4.389 1.00 0.00 H new ATOM 769 N LYS A 52 73.702 -7.059 2.886 1.00 0.00 N ATOM 770 CA LYS A 52 72.266 -6.946 3.154 1.00 0.00 C ATOM 771 C LYS A 52 71.839 -7.943 4.230 1.00 0.00 C ATOM 772 O LYS A 52 71.103 -8.896 3.959 1.00 0.00 O ATOM 773 CB LYS A 52 71.468 -7.208 1.867 1.00 0.00 C ATOM 774 CG LYS A 52 71.775 -6.138 0.782 1.00 0.00 C ATOM 775 CD LYS A 52 70.985 -6.433 -0.524 1.00 0.00 C ATOM 776 CE LYS A 52 71.289 -5.377 -1.604 1.00 0.00 C ATOM 777 NZ LYS A 52 70.516 -5.698 -2.836 1.00 0.00 N ATOM 0 H LYS A 52 73.930 -7.531 2.011 1.00 0.00 H new ATOM 0 HA LYS A 52 72.062 -5.936 3.509 1.00 0.00 H new ATOM 0 HB2 LYS A 52 71.710 -8.199 1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 52 70.401 -7.205 2.091 1.00 0.00 H new ATOM 0 HG2 LYS A 52 71.512 -5.149 1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 52 72.844 -6.125 0.570 1.00 0.00 H new ATOM 0 HD2 LYS A 52 71.247 -7.424 -0.895 1.00 0.00 H new ATOM 0 HD3 LYS A 52 69.916 -6.444 -0.312 1.00 0.00 H new ATOM 0 HE2 LYS A 52 71.024 -4.383 -1.243 1.00 0.00 H new ATOM 0 HE3 LYS A 52 72.356 -5.362 -1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 70.718 -4.987 -3.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 70.790 -6.640 -3.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 69.499 -5.692 -2.619 1.00 0.00 H new ATOM 791 N CYS A 53 72.315 -7.711 5.446 1.00 0.00 N ATOM 792 CA CYS A 53 72.002 -8.578 6.590 1.00 0.00 C ATOM 793 C CYS A 53 70.611 -8.292 7.173 1.00 0.00 C ATOM 794 O CYS A 53 69.689 -9.090 6.981 1.00 0.00 O ATOM 795 CB CYS A 53 73.067 -8.390 7.677 1.00 0.00 C ATOM 796 SG CYS A 53 74.665 -8.970 7.062 1.00 0.00 S ATOM 0 H CYS A 53 72.924 -6.925 5.673 1.00 0.00 H new ATOM 0 HA CYS A 53 72.000 -9.608 6.235 1.00 0.00 H new ATOM 0 HB2 CYS A 53 73.133 -7.339 7.958 1.00 0.00 H new ATOM 0 HB3 CYS A 53 72.788 -8.943 8.574 1.00 0.00 H new ATOM 0 HG CYS A 53 75.448 -9.230 8.067 1.00 0.00 H new ATOM 802 N SER A 54 70.480 -7.150 7.876 1.00 0.00 N ATOM 803 CA SER A 54 69.227 -6.728 8.497 1.00 0.00 C ATOM 804 C SER A 54 68.508 -5.740 7.602 1.00 0.00 C ATOM 805 O SER A 54 68.604 -4.526 7.782 1.00 0.00 O ATOM 806 CB SER A 54 69.507 -6.068 9.841 1.00 0.00 C ATOM 807 OG SER A 54 70.011 -7.041 10.745 1.00 0.00 O ATOM 0 H SER A 54 71.249 -6.497 8.025 1.00 0.00 H new ATOM 0 HA SER A 54 68.601 -7.608 8.645 1.00 0.00 H new ATOM 0 HB2 SER A 54 70.228 -5.260 9.719 1.00 0.00 H new ATOM 0 HB3 SER A 54 68.594 -5.624 10.238 1.00 0.00 H new ATOM 0 HG SER A 54 70.194 -6.620 11.611 1.00 0.00 H new ATOM 813 N ASP A 55 67.800 -6.277 6.632 1.00 0.00 N ATOM 814 CA ASP A 55 67.052 -5.462 5.675 1.00 0.00 C ATOM 815 C ASP A 55 66.020 -4.595 6.393 1.00 0.00 C ATOM 816 O ASP A 55 65.589 -3.569 5.865 1.00 0.00 O ATOM 817 CB ASP A 55 66.334 -6.368 4.671 1.00 0.00 C ATOM 818 CG ASP A 55 67.315 -7.370 4.067 1.00 0.00 C ATOM 819 OD1 ASP A 55 68.444 -6.993 3.837 1.00 0.00 O ATOM 820 OD2 ASP A 55 66.908 -8.501 3.843 1.00 0.00 O ATOM 0 H ASP A 55 67.721 -7.282 6.477 1.00 0.00 H new ATOM 0 HA ASP A 55 67.757 -4.815 5.153 1.00 0.00 H new ATOM 0 HB2 ASP A 55 65.520 -6.898 5.166 1.00 0.00 H new ATOM 0 HB3 ASP A 55 65.887 -5.765 3.881 1.00 0.00 H new ATOM 825 N LEU A 56 65.633 -5.008 7.599 1.00 0.00 N ATOM 826 CA LEU A 56 64.660 -4.248 8.372 1.00 0.00 C ATOM 827 C LEU A 56 65.243 -2.873 8.696 1.00 0.00 C ATOM 828 O LEU A 56 64.574 -1.856 8.491 1.00 0.00 O ATOM 829 CB LEU A 56 64.325 -4.968 9.706 1.00 0.00 C ATOM 830 CG LEU A 56 63.992 -6.486 9.518 1.00 0.00 C ATOM 831 CD1 LEU A 56 63.556 -7.109 10.859 1.00 0.00 C ATOM 832 CD2 LEU A 56 62.861 -6.716 8.498 1.00 0.00 C ATOM 0 H LEU A 56 65.975 -5.854 8.055 1.00 0.00 H new ATOM 0 HA LEU A 56 63.749 -4.154 7.781 1.00 0.00 H new ATOM 0 HB2 LEU A 56 65.170 -4.869 10.387 1.00 0.00 H new ATOM 0 HB3 LEU A 56 63.476 -4.472 10.177 1.00 0.00 H new ATOM 0 HG LEU A 56 64.902 -6.957 9.147 1.00 0.00 H new ATOM 0 HD11 LEU A 56 63.328 -8.165 10.713 1.00 0.00 H new ATOM 0 HD12 LEU A 56 64.362 -7.009 11.586 1.00 0.00 H new ATOM 0 HD13 LEU A 56 62.669 -6.594 11.228 1.00 0.00 H new ATOM 0 HD21 LEU A 56 62.668 -7.785 8.404 1.00 0.00 H new ATOM 0 HD22 LEU A 56 61.956 -6.212 8.838 1.00 0.00 H new ATOM 0 HD23 LEU A 56 63.157 -6.314 7.529 1.00 0.00 H new ATOM 844 N CYS A 57 66.504 -2.864 9.174 1.00 0.00 N ATOM 845 CA CYS A 57 67.215 -1.635 9.511 1.00 0.00 C ATOM 846 C CYS A 57 68.036 -1.198 8.303 1.00 0.00 C ATOM 847 O CYS A 57 68.946 -1.899 7.872 1.00 0.00 O ATOM 848 CB CYS A 57 68.086 -1.903 10.736 1.00 0.00 C ATOM 849 SG CYS A 57 69.259 -0.537 11.007 1.00 0.00 S ATOM 0 H CYS A 57 67.048 -3.712 9.333 1.00 0.00 H new ATOM 0 HA CYS A 57 66.527 -0.826 9.756 1.00 0.00 H new ATOM 0 HB2 CYS A 57 67.455 -2.027 11.616 1.00 0.00 H new ATOM 0 HB3 CYS A 57 68.633 -2.836 10.602 1.00 0.00 H new ATOM 0 HG CYS A 57 70.441 -1.021 11.247 1.00 0.00 H new ATOM 854 N GLN A 58 67.675 -0.064 7.726 1.00 0.00 N ATOM 855 CA GLN A 58 68.356 0.425 6.528 1.00 0.00 C ATOM 856 C GLN A 58 69.808 0.833 6.795 1.00 0.00 C ATOM 857 O GLN A 58 70.667 0.652 5.939 1.00 0.00 O ATOM 858 CB GLN A 58 67.593 1.611 5.910 1.00 0.00 C ATOM 859 CG GLN A 58 66.968 2.505 6.997 1.00 0.00 C ATOM 860 CD GLN A 58 66.640 3.873 6.410 1.00 0.00 C ATOM 861 OE1 GLN A 58 66.276 3.978 5.241 1.00 0.00 O ATOM 862 NE2 GLN A 58 66.743 4.934 7.161 1.00 0.00 N ATOM 0 H GLN A 58 66.920 0.535 8.061 1.00 0.00 H new ATOM 0 HA GLN A 58 68.372 -0.408 5.825 1.00 0.00 H new ATOM 0 HB2 GLN A 58 68.272 2.203 5.297 1.00 0.00 H new ATOM 0 HB3 GLN A 58 66.810 1.238 5.250 1.00 0.00 H new ATOM 0 HG2 GLN A 58 66.063 2.040 7.388 1.00 0.00 H new ATOM 0 HG3 GLN A 58 67.658 2.613 7.834 1.00 0.00 H new ATOM 0 HE21 GLN A 58 67.045 4.845 8.131 1.00 0.00 H new ATOM 0 HE22 GLN A 58 66.521 5.853 6.778 1.00 0.00 H new ATOM 871 N TYR A 59 70.064 1.423 7.954 1.00 0.00 N ATOM 872 CA TYR A 59 71.404 1.902 8.302 1.00 0.00 C ATOM 873 C TYR A 59 72.372 0.763 8.590 1.00 0.00 C ATOM 874 O TYR A 59 73.576 0.909 8.381 1.00 0.00 O ATOM 875 CB TYR A 59 71.316 2.826 9.512 1.00 0.00 C ATOM 876 CG TYR A 59 71.722 4.250 9.108 1.00 0.00 C ATOM 877 CD1 TYR A 59 70.762 5.120 8.581 1.00 0.00 C ATOM 878 CD2 TYR A 59 73.041 4.680 9.267 1.00 0.00 C ATOM 879 CE1 TYR A 59 71.121 6.424 8.217 1.00 0.00 C ATOM 880 CE2 TYR A 59 73.403 5.985 8.901 1.00 0.00 C ATOM 881 CZ TYR A 59 72.442 6.857 8.376 1.00 0.00 C ATOM 882 OH TYR A 59 72.796 8.144 8.022 1.00 0.00 O ATOM 0 H TYR A 59 69.361 1.584 8.675 1.00 0.00 H new ATOM 0 HA TYR A 59 71.793 2.445 7.440 1.00 0.00 H new ATOM 0 HB2 TYR A 59 70.301 2.826 9.908 1.00 0.00 H new ATOM 0 HB3 TYR A 59 71.968 2.463 10.306 1.00 0.00 H new ATOM 0 HD1 TYR A 59 69.743 4.786 8.455 1.00 0.00 H new ATOM 0 HD2 TYR A 59 73.783 4.008 9.672 1.00 0.00 H new ATOM 0 HE1 TYR A 59 70.378 7.096 7.813 1.00 0.00 H new ATOM 0 HE2 TYR A 59 74.423 6.317 9.024 1.00 0.00 H new ATOM 0 HH TYR A 59 72.814 8.710 8.822 1.00 0.00 H new ATOM 892 N CYS A 60 71.851 -0.362 9.076 1.00 0.00 N ATOM 893 CA CYS A 60 72.687 -1.506 9.393 1.00 0.00 C ATOM 894 C CYS A 60 73.433 -1.993 8.159 1.00 0.00 C ATOM 895 O CYS A 60 74.480 -2.614 8.263 1.00 0.00 O ATOM 896 CB CYS A 60 71.828 -2.646 9.911 1.00 0.00 C ATOM 897 SG CYS A 60 71.767 -2.656 11.733 1.00 0.00 S ATOM 0 H CYS A 60 70.857 -0.501 9.257 1.00 0.00 H new ATOM 0 HA CYS A 60 73.405 -1.194 10.151 1.00 0.00 H new ATOM 0 HB2 CYS A 60 70.818 -2.553 9.512 1.00 0.00 H new ATOM 0 HB3 CYS A 60 72.226 -3.596 9.553 1.00 0.00 H new ATOM 0 HG CYS A 60 71.970 -1.452 12.181 1.00 0.00 H new ATOM 902 N ARG A 61 72.866 -1.738 6.994 1.00 0.00 N ATOM 903 CA ARG A 61 73.474 -2.197 5.749 1.00 0.00 C ATOM 904 C ARG A 61 74.863 -1.589 5.544 1.00 0.00 C ATOM 905 O ARG A 61 75.784 -2.282 5.114 1.00 0.00 O ATOM 906 CB ARG A 61 72.590 -1.791 4.558 1.00 0.00 C ATOM 907 CG ARG A 61 71.237 -2.545 4.592 1.00 0.00 C ATOM 908 CD ARG A 61 70.285 -2.023 3.505 1.00 0.00 C ATOM 909 NE ARG A 61 69.069 -2.830 3.496 1.00 0.00 N ATOM 910 CZ ARG A 61 68.035 -2.536 2.718 1.00 0.00 C ATOM 911 NH1 ARG A 61 68.084 -1.488 1.941 1.00 0.00 N ATOM 912 NH2 ARG A 61 66.973 -3.291 2.728 1.00 0.00 N ATOM 0 H ARG A 61 71.994 -1.221 6.879 1.00 0.00 H new ATOM 0 HA ARG A 61 73.567 -3.281 5.811 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.412 -0.716 4.581 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.109 -2.008 3.624 1.00 0.00 H new ATOM 0 HG2 ARG A 61 71.408 -3.612 4.448 1.00 0.00 H new ATOM 0 HG3 ARG A 61 70.775 -2.426 5.572 1.00 0.00 H new ATOM 0 HD2 ARG A 61 70.039 -0.978 3.693 1.00 0.00 H new ATOM 0 HD3 ARG A 61 70.770 -2.066 2.530 1.00 0.00 H new ATOM 0 HE ARG A 61 69.012 -3.645 4.107 1.00 0.00 H new ATOM 0 HH11 ARG A 61 68.916 -0.898 1.933 1.00 0.00 H new ATOM 0 HH12 ARG A 61 67.291 -1.260 1.342 1.00 0.00 H new ATOM 0 HH21 ARG A 61 66.935 -4.110 3.335 1.00 0.00 H new ATOM 0 HH22 ARG A 61 66.179 -3.063 2.129 1.00 0.00 H new ATOM 926 N TYR A 62 74.988 -0.295 5.845 1.00 0.00 N ATOM 927 CA TYR A 62 76.252 0.431 5.675 1.00 0.00 C ATOM 928 C TYR A 62 77.147 0.311 6.896 1.00 0.00 C ATOM 929 O TYR A 62 78.323 -0.036 6.767 1.00 0.00 O ATOM 930 CB TYR A 62 75.958 1.912 5.420 1.00 0.00 C ATOM 931 CG TYR A 62 75.187 2.052 4.104 1.00 0.00 C ATOM 932 CD1 TYR A 62 73.790 1.959 4.105 1.00 0.00 C ATOM 933 CD2 TYR A 62 75.874 2.277 2.900 1.00 0.00 C ATOM 934 CE1 TYR A 62 73.079 2.089 2.906 1.00 0.00 C ATOM 935 CE2 TYR A 62 75.164 2.397 1.703 1.00 0.00 C ATOM 936 CZ TYR A 62 73.768 2.307 1.702 1.00 0.00 C ATOM 937 OH TYR A 62 73.069 2.436 0.520 1.00 0.00 O ATOM 0 H TYR A 62 74.226 0.276 6.210 1.00 0.00 H new ATOM 0 HA TYR A 62 76.774 -0.012 4.827 1.00 0.00 H new ATOM 0 HB2 TYR A 62 75.375 2.327 6.243 1.00 0.00 H new ATOM 0 HB3 TYR A 62 76.889 2.477 5.372 1.00 0.00 H new ATOM 0 HD1 TYR A 62 73.261 1.787 5.031 1.00 0.00 H new ATOM 0 HD2 TYR A 62 76.951 2.357 2.900 1.00 0.00 H new ATOM 0 HE1 TYR A 62 72.001 2.022 2.907 1.00 0.00 H new ATOM 0 HE2 TYR A 62 75.694 2.560 0.776 1.00 0.00 H new ATOM 0 HH TYR A 62 73.236 1.654 -0.046 1.00 0.00 H new ATOM 947 N GLN A 63 76.574 0.628 8.065 1.00 0.00 N ATOM 948 CA GLN A 63 77.290 0.593 9.352 1.00 0.00 C ATOM 949 C GLN A 63 76.427 -0.082 10.405 1.00 0.00 C ATOM 950 O GLN A 63 75.339 0.388 10.703 1.00 0.00 O ATOM 951 CB GLN A 63 77.606 2.025 9.838 1.00 0.00 C ATOM 952 CG GLN A 63 78.647 2.717 8.937 1.00 0.00 C ATOM 953 CD GLN A 63 78.880 4.150 9.409 1.00 0.00 C ATOM 954 OE1 GLN A 63 78.344 4.571 10.435 1.00 0.00 O ATOM 955 NE2 GLN A 63 79.646 4.936 8.707 1.00 0.00 N ATOM 0 H GLN A 63 75.599 0.917 8.147 1.00 0.00 H new ATOM 0 HA GLN A 63 78.218 0.040 9.206 1.00 0.00 H new ATOM 0 HB2 GLN A 63 76.689 2.614 9.854 1.00 0.00 H new ATOM 0 HB3 GLN A 63 77.978 1.988 10.862 1.00 0.00 H new ATOM 0 HG2 GLN A 63 79.585 2.162 8.959 1.00 0.00 H new ATOM 0 HG3 GLN A 63 78.301 2.718 7.903 1.00 0.00 H new ATOM 0 HE21 GLN A 63 80.091 4.589 7.857 1.00 0.00 H new ATOM 0 HE22 GLN A 63 79.801 5.898 9.007 1.00 0.00 H new ATOM 964 N LYS A 64 76.930 -1.182 10.957 1.00 0.00 N ATOM 965 CA LYS A 64 76.201 -1.934 11.987 1.00 0.00 C ATOM 966 C LYS A 64 75.900 -1.050 13.193 1.00 0.00 C ATOM 967 O LYS A 64 76.772 -0.320 13.670 1.00 0.00 O ATOM 968 CB LYS A 64 77.024 -3.147 12.473 1.00 0.00 C ATOM 969 CG LYS A 64 77.424 -4.127 11.330 1.00 0.00 C ATOM 970 CD LYS A 64 76.202 -4.740 10.597 1.00 0.00 C ATOM 971 CE LYS A 64 76.613 -6.016 9.852 1.00 0.00 C ATOM 972 NZ LYS A 64 75.570 -6.349 8.842 1.00 0.00 N ATOM 0 H LYS A 64 77.838 -1.577 10.712 1.00 0.00 H new ATOM 0 HA LYS A 64 75.270 -2.276 11.535 1.00 0.00 H new ATOM 0 HB2 LYS A 64 77.928 -2.788 12.966 1.00 0.00 H new ATOM 0 HB3 LYS A 64 76.447 -3.691 13.221 1.00 0.00 H new ATOM 0 HG2 LYS A 64 78.046 -3.598 10.607 1.00 0.00 H new ATOM 0 HG3 LYS A 64 78.032 -4.931 11.745 1.00 0.00 H new ATOM 0 HD2 LYS A 64 75.415 -4.968 11.316 1.00 0.00 H new ATOM 0 HD3 LYS A 64 75.791 -4.016 9.893 1.00 0.00 H new ATOM 0 HE2 LYS A 64 77.577 -5.872 9.364 1.00 0.00 H new ATOM 0 HE3 LYS A 64 76.732 -6.840 10.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 75.703 -7.327 8.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 74.628 -6.253 9.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 75.650 -5.700 8.033 1.00 0.00 H new ATOM 986 N ASP A 65 74.643 -1.152 13.656 1.00 0.00 N ATOM 987 CA ASP A 65 74.131 -0.394 14.810 1.00 0.00 C ATOM 988 C ASP A 65 73.707 -1.342 15.932 1.00 0.00 C ATOM 989 O ASP A 65 73.076 -0.920 16.889 1.00 0.00 O ATOM 990 CB ASP A 65 72.889 0.402 14.398 1.00 0.00 C ATOM 991 CG ASP A 65 72.941 0.780 12.902 1.00 0.00 C ATOM 992 OD1 ASP A 65 73.886 1.471 12.557 1.00 0.00 O ATOM 993 OD2 ASP A 65 72.079 0.370 12.113 1.00 0.00 O ATOM 0 H ASP A 65 73.947 -1.769 13.236 1.00 0.00 H new ATOM 0 HA ASP A 65 74.927 0.267 15.153 1.00 0.00 H new ATOM 0 HB2 ASP A 65 71.994 -0.187 14.596 1.00 0.00 H new ATOM 0 HB3 ASP A 65 72.816 1.306 15.002 1.00 0.00 H new ATOM 998 N LEU A 66 74.012 -2.628 15.795 1.00 0.00 N ATOM 999 CA LEU A 66 73.599 -3.647 16.783 1.00 0.00 C ATOM 1000 C LEU A 66 74.069 -3.364 18.234 1.00 0.00 C ATOM 1001 O LEU A 66 73.743 -4.130 19.143 1.00 0.00 O ATOM 1002 CB LEU A 66 74.118 -5.042 16.338 1.00 0.00 C ATOM 1003 CG LEU A 66 73.377 -5.549 15.056 1.00 0.00 C ATOM 1004 CD1 LEU A 66 74.303 -6.445 14.217 1.00 0.00 C ATOM 1005 CD2 LEU A 66 72.140 -6.400 15.417 1.00 0.00 C ATOM 0 H LEU A 66 74.546 -3.001 15.010 1.00 0.00 H new ATOM 0 HA LEU A 66 72.510 -3.616 16.806 1.00 0.00 H new ATOM 0 HB2 LEU A 66 75.189 -4.987 16.143 1.00 0.00 H new ATOM 0 HB3 LEU A 66 73.978 -5.758 17.147 1.00 0.00 H new ATOM 0 HG LEU A 66 73.076 -4.661 14.500 1.00 0.00 H new ATOM 0 HD11 LEU A 66 73.771 -6.788 13.330 1.00 0.00 H new ATOM 0 HD12 LEU A 66 75.183 -5.877 13.915 1.00 0.00 H new ATOM 0 HD13 LEU A 66 74.612 -7.306 14.810 1.00 0.00 H new ATOM 0 HD21 LEU A 66 71.650 -6.735 14.503 1.00 0.00 H new ATOM 0 HD22 LEU A 66 72.452 -7.266 16.000 1.00 0.00 H new ATOM 0 HD23 LEU A 66 71.444 -5.800 16.003 1.00 0.00 H new ATOM 1017 N ALA A 67 74.801 -2.279 18.471 1.00 0.00 N ATOM 1018 CA ALA A 67 75.248 -1.968 19.821 1.00 0.00 C ATOM 1019 C ALA A 67 74.058 -1.666 20.728 1.00 0.00 C ATOM 1020 O ALA A 67 74.020 -2.110 21.876 1.00 0.00 O ATOM 1021 CB ALA A 67 76.186 -0.762 19.795 1.00 0.00 C ATOM 0 H ALA A 67 75.092 -1.611 17.757 1.00 0.00 H new ATOM 0 HA ALA A 67 75.778 -2.836 20.214 1.00 0.00 H new ATOM 0 HB1 ALA A 67 76.516 -0.536 20.809 1.00 0.00 H new ATOM 0 HB2 ALA A 67 77.052 -0.988 19.173 1.00 0.00 H new ATOM 0 HB3 ALA A 67 75.660 0.100 19.384 1.00 0.00 H new ATOM 1027 N ILE A 68 73.093 -0.892 20.220 1.00 0.00 N ATOM 1028 CA ILE A 68 71.927 -0.534 21.029 1.00 0.00 C ATOM 1029 C ILE A 68 71.100 -1.771 21.414 1.00 0.00 C ATOM 1030 O ILE A 68 71.136 -2.187 22.574 1.00 0.00 O ATOM 1031 CB ILE A 68 71.041 0.545 20.329 1.00 0.00 C ATOM 1032 CG1 ILE A 68 71.050 0.372 18.786 1.00 0.00 C ATOM 1033 CG2 ILE A 68 71.571 1.960 20.664 1.00 0.00 C ATOM 1034 CD1 ILE A 68 69.760 0.934 18.156 1.00 0.00 C ATOM 0 H ILE A 68 73.095 -0.510 19.274 1.00 0.00 H new ATOM 0 HA ILE A 68 72.306 -0.093 21.951 1.00 0.00 H new ATOM 0 HB ILE A 68 70.022 0.420 20.695 1.00 0.00 H new ATOM 0 HG12 ILE A 68 71.916 0.883 18.365 1.00 0.00 H new ATOM 0 HG13 ILE A 68 71.150 -0.684 18.536 1.00 0.00 H new ATOM 0 HG21 ILE A 68 70.948 2.708 20.172 1.00 0.00 H new ATOM 0 HG22 ILE A 68 71.540 2.114 21.743 1.00 0.00 H new ATOM 0 HG23 ILE A 68 72.599 2.056 20.313 1.00 0.00 H new ATOM 0 HD11 ILE A 68 69.794 0.799 17.075 1.00 0.00 H new ATOM 0 HD12 ILE A 68 68.897 0.405 18.560 1.00 0.00 H new ATOM 0 HD13 ILE A 68 69.675 1.996 18.387 1.00 0.00 H new ATOM 1046 N HIS A 69 70.370 -2.358 20.462 1.00 0.00 N ATOM 1047 CA HIS A 69 69.558 -3.542 20.742 1.00 0.00 C ATOM 1048 C HIS A 69 70.433 -4.789 20.855 1.00 0.00 C ATOM 1049 O HIS A 69 71.042 -5.217 19.872 1.00 0.00 O ATOM 1050 CB HIS A 69 68.547 -3.743 19.615 1.00 0.00 C ATOM 1051 CG HIS A 69 67.897 -5.090 19.756 1.00 0.00 C ATOM 1052 ND1 HIS A 69 66.890 -5.328 20.678 1.00 0.00 N ATOM 1053 CD2 HIS A 69 68.093 -6.278 19.092 1.00 0.00 C ATOM 1054 CE1 HIS A 69 66.524 -6.619 20.547 1.00 0.00 C ATOM 1055 NE2 HIS A 69 67.225 -7.243 19.594 1.00 0.00 N ATOM 0 H HIS A 69 70.325 -2.034 19.496 1.00 0.00 H new ATOM 0 HA HIS A 69 69.042 -3.389 21.690 1.00 0.00 H new ATOM 0 HB2 HIS A 69 67.791 -2.958 19.646 1.00 0.00 H new ATOM 0 HB3 HIS A 69 69.045 -3.668 18.648 1.00 0.00 H new ATOM 0 HD2 HIS A 69 68.811 -6.438 18.301 1.00 0.00 H new ATOM 0 HE1 HIS A 69 65.756 -7.093 21.141 1.00 0.00 H new ATOM 0 HE2 HIS A 69 67.141 -8.216 19.299 1.00 0.00 H new ATOM 1063 N HIS A 70 70.475 -5.370 22.056 1.00 0.00 N ATOM 1064 CA HIS A 70 71.265 -6.579 22.307 1.00 0.00 C ATOM 1065 C HIS A 70 70.524 -7.810 21.793 1.00 0.00 C ATOM 1066 O HIS A 70 69.345 -8.001 22.094 1.00 0.00 O ATOM 1067 CB HIS A 70 71.516 -6.729 23.808 1.00 0.00 C ATOM 1068 CG HIS A 70 72.296 -5.544 24.308 1.00 0.00 C ATOM 1069 ND1 HIS A 70 73.670 -5.434 24.138 1.00 0.00 N ATOM 1070 CD2 HIS A 70 71.909 -4.409 24.971 1.00 0.00 C ATOM 1071 CE1 HIS A 70 74.050 -4.261 24.685 1.00 0.00 C ATOM 1072 NE2 HIS A 70 73.015 -3.602 25.206 1.00 0.00 N ATOM 0 H HIS A 70 69.971 -5.023 22.872 1.00 0.00 H new ATOM 0 HA HIS A 70 72.217 -6.490 21.783 1.00 0.00 H new ATOM 0 HB2 HIS A 70 70.568 -6.804 24.340 1.00 0.00 H new ATOM 0 HB3 HIS A 70 72.066 -7.649 24.005 1.00 0.00 H new ATOM 0 HD2 HIS A 70 70.896 -4.177 25.266 1.00 0.00 H new ATOM 0 HE1 HIS A 70 75.068 -3.900 24.699 1.00 0.00 H new ATOM 0 HE2 HIS A 70 73.032 -2.697 25.677 1.00 0.00 H new