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 18 HIS : no HD1:sc= -0.131 K(o=3.3,f=-8.4!) USER MOD Set 1.2: A 57 CYS SG : rot -136:sc= 1.32 USER MOD Set 1.3: A 60 CYS SG : rot 31:sc= 2.08 USER MOD Set 2.1: A 20 CYS SG : rot 144:sc= 0.954 USER MOD Set 2.2: A 23 CYS SG : rot 79:sc= 1.07 USER MOD Set 2.3: A 26 ASN : amide:sc= -1.19 K(o=1.2,f=0.36!) USER MOD Set 2.4: A 33 THR OG1 : rot 80:sc= 0.338 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.92 K(o=-0.92,f=-1.6) 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=-0.00853 X(o=-0.0085,f=-0.096) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 79:sc= 0.416 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0109 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 X(o=0,f=-0.087) USER MOD Single : A 47 CYS SG : rot 180:sc= 0.116 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -163:sc= 0.46 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 64 LYS NZ :NH3+ -162:sc= 0.639 (180deg=0.227) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,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 61.001 -1.722 20.115 1.00 0.00 N ATOM 222 CA GLY A 16 62.414 -2.086 20.097 1.00 0.00 C ATOM 223 C GLY A 16 63.289 -0.851 19.922 1.00 0.00 C ATOM 224 O GLY A 16 62.818 0.190 19.461 1.00 0.00 O ATOM 0 HA2 GLY A 16 62.675 -2.594 21.026 1.00 0.00 H new ATOM 0 HA3 GLY A 16 62.603 -2.789 19.286 1.00 0.00 H new ATOM 228 N LYS A 17 64.568 -0.987 20.273 1.00 0.00 N ATOM 229 CA LYS A 17 65.503 0.116 20.134 1.00 0.00 C ATOM 230 C LYS A 17 65.845 0.280 18.658 1.00 0.00 C ATOM 231 O LYS A 17 65.777 1.371 18.107 1.00 0.00 O ATOM 232 CB LYS A 17 66.776 -0.177 20.933 1.00 0.00 C ATOM 233 CG LYS A 17 66.443 -0.354 22.438 1.00 0.00 C ATOM 234 CD LYS A 17 67.709 -0.739 23.236 1.00 0.00 C ATOM 235 CE LYS A 17 67.376 -0.939 24.724 1.00 0.00 C ATOM 236 NZ LYS A 17 68.616 -1.317 25.458 1.00 0.00 N ATOM 0 H LYS A 17 64.972 -1.844 20.652 1.00 0.00 H new ATOM 0 HA LYS A 17 65.055 1.033 20.516 1.00 0.00 H new ATOM 0 HB2 LYS A 17 67.253 -1.080 20.551 1.00 0.00 H new ATOM 0 HB3 LYS A 17 67.488 0.638 20.805 1.00 0.00 H new ATOM 0 HG2 LYS A 17 66.025 0.571 22.834 1.00 0.00 H new ATOM 0 HG3 LYS A 17 65.682 -1.125 22.559 1.00 0.00 H new ATOM 0 HD2 LYS A 17 68.137 -1.655 22.828 1.00 0.00 H new ATOM 0 HD3 LYS A 17 68.463 0.041 23.129 1.00 0.00 H new ATOM 0 HE2 LYS A 17 66.957 -0.023 25.141 1.00 0.00 H new ATOM 0 HE3 LYS A 17 66.620 -1.716 24.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 68.395 -1.453 26.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 68.997 -2.201 25.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 69.323 -0.561 25.358 1.00 0.00 H new ATOM 250 N HIS A 18 66.241 -0.818 18.034 1.00 0.00 N ATOM 251 CA HIS A 18 66.623 -0.788 16.626 1.00 0.00 C ATOM 252 C HIS A 18 65.476 -0.331 15.721 1.00 0.00 C ATOM 253 O HIS A 18 65.691 0.532 14.867 1.00 0.00 O ATOM 254 CB HIS A 18 67.071 -2.188 16.177 1.00 0.00 C ATOM 255 CG HIS A 18 68.241 -2.119 15.234 1.00 0.00 C ATOM 256 ND1 HIS A 18 69.247 -3.060 15.267 1.00 0.00 N ATOM 257 CD2 HIS A 18 68.573 -1.245 14.235 1.00 0.00 C ATOM 258 CE1 HIS A 18 70.135 -2.730 14.314 1.00 0.00 C ATOM 259 NE2 HIS A 18 69.768 -1.618 13.645 1.00 0.00 N ATOM 0 H HIS A 18 66.307 -1.736 18.474 1.00 0.00 H new ATOM 0 HA HIS A 18 67.439 -0.071 16.534 1.00 0.00 H new ATOM 0 HB2 HIS A 18 67.341 -2.782 17.050 1.00 0.00 H new ATOM 0 HB3 HIS A 18 66.240 -2.698 15.690 1.00 0.00 H new ATOM 0 HD2 HIS A 18 67.986 -0.386 13.948 1.00 0.00 H new ATOM 0 HE1 HIS A 18 71.036 -3.289 14.108 1.00 0.00 H new ATOM 0 HE2 HIS A 18 70.259 -1.157 12.879 1.00 0.00 H new ATOM 266 N ILE A 19 64.282 -0.938 15.899 1.00 0.00 N ATOM 267 CA ILE A 19 63.105 -0.634 15.077 1.00 0.00 C ATOM 268 C ILE A 19 62.136 0.229 15.858 1.00 0.00 C ATOM 269 O ILE A 19 61.686 -0.142 16.945 1.00 0.00 O ATOM 270 CB ILE A 19 62.376 -1.947 14.635 1.00 0.00 C ATOM 271 CG1 ILE A 19 63.386 -3.020 14.149 1.00 0.00 C ATOM 272 CG2 ILE A 19 61.384 -1.686 13.472 1.00 0.00 C ATOM 273 CD1 ILE A 19 63.671 -4.073 15.241 1.00 0.00 C ATOM 0 H ILE A 19 64.114 -1.647 16.613 1.00 0.00 H new ATOM 0 HA ILE A 19 63.445 -0.101 14.189 1.00 0.00 H new ATOM 0 HB ILE A 19 61.839 -2.302 15.514 1.00 0.00 H new ATOM 0 HG12 ILE A 19 62.992 -3.514 13.261 1.00 0.00 H new ATOM 0 HG13 ILE A 19 64.318 -2.536 13.858 1.00 0.00 H new ATOM 0 HG21 ILE A 19 60.897 -2.620 13.192 1.00 0.00 H new ATOM 0 HG22 ILE A 19 60.631 -0.966 13.791 1.00 0.00 H new ATOM 0 HG23 ILE A 19 61.926 -1.288 12.614 1.00 0.00 H new ATOM 0 HD11 ILE A 19 64.383 -4.807 14.862 1.00 0.00 H new ATOM 0 HD12 ILE A 19 64.089 -3.582 16.120 1.00 0.00 H new ATOM 0 HD13 ILE A 19 62.743 -4.575 15.513 1.00 0.00 H new ATOM 285 N CYS A 20 61.805 1.364 15.264 1.00 0.00 N ATOM 286 CA CYS A 20 60.858 2.295 15.859 1.00 0.00 C ATOM 287 C CYS A 20 59.433 1.775 15.611 1.00 0.00 C ATOM 288 O CYS A 20 59.181 1.098 14.626 1.00 0.00 O ATOM 289 CB CYS A 20 61.081 3.680 15.249 1.00 0.00 C ATOM 290 SG CYS A 20 59.657 4.743 15.567 1.00 0.00 S ATOM 0 H CYS A 20 62.180 1.665 14.365 1.00 0.00 H new ATOM 0 HA CYS A 20 61.003 2.376 16.936 1.00 0.00 H new ATOM 0 HB2 CYS A 20 61.980 4.130 15.670 1.00 0.00 H new ATOM 0 HB3 CYS A 20 61.243 3.590 14.175 1.00 0.00 H new ATOM 0 HG CYS A 20 60.063 5.959 15.784 1.00 0.00 H new ATOM 295 N ALA A 21 58.525 2.036 16.535 1.00 0.00 N ATOM 296 CA ALA A 21 57.155 1.533 16.418 1.00 0.00 C ATOM 297 C ALA A 21 56.355 2.270 15.349 1.00 0.00 C ATOM 298 O ALA A 21 55.240 1.850 15.027 1.00 0.00 O ATOM 299 CB ALA A 21 56.448 1.703 17.759 1.00 0.00 C ATOM 0 H ALA A 21 58.704 2.590 17.373 1.00 0.00 H new ATOM 0 HA ALA A 21 57.213 0.484 16.129 1.00 0.00 H new ATOM 0 HB1 ALA A 21 55.426 1.331 17.681 1.00 0.00 H new ATOM 0 HB2 ALA A 21 56.982 1.141 18.525 1.00 0.00 H new ATOM 0 HB3 ALA A 21 56.430 2.759 18.030 1.00 0.00 H new ATOM 305 N ILE A 22 56.921 3.384 14.855 1.00 0.00 N ATOM 306 CA ILE A 22 56.267 4.254 13.854 1.00 0.00 C ATOM 307 C ILE A 22 57.074 4.316 12.544 1.00 0.00 C ATOM 308 O ILE A 22 56.676 3.743 11.530 1.00 0.00 O ATOM 309 CB ILE A 22 56.102 5.695 14.450 1.00 0.00 C ATOM 310 CG1 ILE A 22 55.065 5.687 15.609 1.00 0.00 C ATOM 311 CG2 ILE A 22 55.599 6.708 13.375 1.00 0.00 C ATOM 312 CD1 ILE A 22 55.365 6.802 16.633 1.00 0.00 C ATOM 0 H ILE A 22 57.846 3.710 15.137 1.00 0.00 H new ATOM 0 HA ILE A 22 55.289 3.833 13.620 1.00 0.00 H new ATOM 0 HB ILE A 22 57.084 6.001 14.810 1.00 0.00 H new ATOM 0 HG12 ILE A 22 54.062 5.822 15.204 1.00 0.00 H new ATOM 0 HG13 ILE A 22 55.080 4.718 16.108 1.00 0.00 H new ATOM 0 HG21 ILE A 22 55.497 7.695 13.825 1.00 0.00 H new ATOM 0 HG22 ILE A 22 56.316 6.755 12.556 1.00 0.00 H new ATOM 0 HG23 ILE A 22 54.632 6.382 12.992 1.00 0.00 H new ATOM 0 HD11 ILE A 22 54.624 6.772 17.432 1.00 0.00 H new ATOM 0 HD12 ILE A 22 56.359 6.651 17.055 1.00 0.00 H new ATOM 0 HD13 ILE A 22 55.325 7.772 16.137 1.00 0.00 H new ATOM 324 N CYS A 23 58.170 5.074 12.565 1.00 0.00 N ATOM 325 CA CYS A 23 58.992 5.288 11.376 1.00 0.00 C ATOM 326 C CYS A 23 59.696 4.018 10.946 1.00 0.00 C ATOM 327 O CYS A 23 59.977 3.832 9.760 1.00 0.00 O ATOM 328 CB CYS A 23 60.032 6.373 11.670 1.00 0.00 C ATOM 329 SG CYS A 23 59.368 7.527 12.893 1.00 0.00 S ATOM 0 H CYS A 23 58.510 5.553 13.399 1.00 0.00 H new ATOM 0 HA CYS A 23 58.337 5.600 10.563 1.00 0.00 H new ATOM 0 HB2 CYS A 23 60.951 5.920 12.043 1.00 0.00 H new ATOM 0 HB3 CYS A 23 60.288 6.905 10.754 1.00 0.00 H new ATOM 0 HG CYS A 23 59.470 7.007 14.080 1.00 0.00 H new ATOM 334 N GLY A 24 59.986 3.174 11.929 1.00 0.00 N ATOM 335 CA GLY A 24 60.678 1.910 11.697 1.00 0.00 C ATOM 336 C GLY A 24 62.189 2.060 11.810 1.00 0.00 C ATOM 337 O GLY A 24 62.884 1.054 11.922 1.00 0.00 O ATOM 0 H GLY A 24 59.749 3.345 12.906 1.00 0.00 H new ATOM 0 HA2 GLY A 24 60.332 1.169 12.418 1.00 0.00 H new ATOM 0 HA3 GLY A 24 60.424 1.534 10.706 1.00 0.00 H new ATOM 341 N ASN A 25 62.686 3.312 11.690 1.00 0.00 N ATOM 342 CA ASN A 25 64.163 3.563 11.693 1.00 0.00 C ATOM 343 C ASN A 25 64.634 4.879 12.355 1.00 0.00 C ATOM 344 O ASN A 25 65.788 5.269 12.151 1.00 0.00 O ATOM 345 CB ASN A 25 64.677 3.528 10.223 1.00 0.00 C ATOM 346 CG ASN A 25 64.412 2.167 9.584 1.00 0.00 C ATOM 347 OD1 ASN A 25 64.799 1.141 10.146 1.00 0.00 O ATOM 348 ND2 ASN A 25 63.745 2.090 8.467 1.00 0.00 N ATOM 0 H ASN A 25 62.112 4.150 11.592 1.00 0.00 H new ATOM 0 HA ASN A 25 64.584 2.771 12.313 1.00 0.00 H new ATOM 0 HB2 ASN A 25 64.184 4.308 9.643 1.00 0.00 H new ATOM 0 HB3 ASN A 25 65.746 3.742 10.202 1.00 0.00 H new ATOM 0 HD21 ASN A 25 63.542 1.179 8.056 1.00 0.00 H new ATOM 0 HD22 ASN A 25 63.426 2.941 8.004 1.00 0.00 H new ATOM 355 N ASN A 26 63.799 5.539 13.168 1.00 0.00 N ATOM 356 CA ASN A 26 64.238 6.793 13.842 1.00 0.00 C ATOM 357 C ASN A 26 64.854 6.537 15.213 1.00 0.00 C ATOM 358 O ASN A 26 65.727 7.282 15.644 1.00 0.00 O ATOM 359 CB ASN A 26 63.070 7.750 13.991 1.00 0.00 C ATOM 360 CG ASN A 26 63.197 8.887 12.976 1.00 0.00 C ATOM 361 OD1 ASN A 26 63.255 10.053 13.363 1.00 0.00 O ATOM 362 ND2 ASN A 26 63.279 8.615 11.700 1.00 0.00 N ATOM 0 H ASN A 26 62.844 5.248 13.378 1.00 0.00 H new ATOM 0 HA ASN A 26 65.007 7.234 13.208 1.00 0.00 H new ATOM 0 HB2 ASN A 26 62.131 7.218 13.839 1.00 0.00 H new ATOM 0 HB3 ASN A 26 63.047 8.155 15.003 1.00 0.00 H new ATOM 0 HD21 ASN A 26 63.391 9.370 11.024 1.00 0.00 H new ATOM 0 HD22 ASN A 26 63.231 7.647 11.381 1.00 0.00 H new ATOM 369 N ALA A 27 64.355 5.518 15.904 1.00 0.00 N ATOM 370 CA ALA A 27 64.823 5.198 17.252 1.00 0.00 C ATOM 371 C ALA A 27 66.341 5.020 17.263 1.00 0.00 C ATOM 372 O ALA A 27 67.006 5.328 18.253 1.00 0.00 O ATOM 373 CB ALA A 27 64.122 3.939 17.765 1.00 0.00 C ATOM 0 H ALA A 27 63.625 4.897 15.554 1.00 0.00 H new ATOM 0 HA ALA A 27 64.576 6.026 17.917 1.00 0.00 H new ATOM 0 HB1 ALA A 27 64.477 3.709 18.769 1.00 0.00 H new ATOM 0 HB2 ALA A 27 63.045 4.107 17.790 1.00 0.00 H new ATOM 0 HB3 ALA A 27 64.344 3.103 17.101 1.00 0.00 H new ATOM 379 N GLU A 28 66.878 4.560 16.141 1.00 0.00 N ATOM 380 CA GLU A 28 68.303 4.379 15.991 1.00 0.00 C ATOM 381 C GLU A 28 69.011 5.745 15.911 1.00 0.00 C ATOM 382 O GLU A 28 70.124 5.887 16.423 1.00 0.00 O ATOM 383 CB GLU A 28 68.529 3.539 14.716 1.00 0.00 C ATOM 384 CG GLU A 28 70.010 3.465 14.322 1.00 0.00 C ATOM 385 CD GLU A 28 70.246 2.280 13.388 1.00 0.00 C ATOM 386 OE1 GLU A 28 70.121 1.152 13.833 1.00 0.00 O ATOM 387 OE2 GLU A 28 70.580 2.526 12.242 1.00 0.00 O ATOM 0 H GLU A 28 66.335 4.305 15.316 1.00 0.00 H new ATOM 0 HA GLU A 28 68.726 3.859 16.851 1.00 0.00 H new ATOM 0 HB2 GLU A 28 68.147 2.531 14.876 1.00 0.00 H new ATOM 0 HB3 GLU A 28 67.958 3.970 13.894 1.00 0.00 H new ATOM 0 HG2 GLU A 28 70.310 4.391 13.831 1.00 0.00 H new ATOM 0 HG3 GLU A 28 70.627 3.363 15.215 1.00 0.00 H new ATOM 394 N ASP A 29 68.347 6.718 15.245 1.00 0.00 N ATOM 395 CA ASP A 29 68.877 8.089 15.043 1.00 0.00 C ATOM 396 C ASP A 29 67.982 9.151 15.734 1.00 0.00 C ATOM 397 O ASP A 29 67.591 8.969 16.888 1.00 0.00 O ATOM 398 CB ASP A 29 68.973 8.358 13.533 1.00 0.00 C ATOM 399 CG ASP A 29 69.759 7.241 12.854 1.00 0.00 C ATOM 400 OD1 ASP A 29 70.845 6.935 13.326 1.00 0.00 O ATOM 401 OD2 ASP A 29 69.282 6.736 11.853 1.00 0.00 O ATOM 0 H ASP A 29 67.426 6.575 14.831 1.00 0.00 H new ATOM 0 HA ASP A 29 69.865 8.162 15.497 1.00 0.00 H new ATOM 0 HB2 ASP A 29 67.974 8.424 13.103 1.00 0.00 H new ATOM 0 HB3 ASP A 29 69.461 9.317 13.356 1.00 0.00 H new ATOM 406 N TYR A 30 67.675 10.262 15.036 1.00 0.00 N ATOM 407 CA TYR A 30 66.851 11.336 15.600 1.00 0.00 C ATOM 408 C TYR A 30 65.393 10.897 15.683 1.00 0.00 C ATOM 409 O TYR A 30 65.078 9.791 15.261 1.00 0.00 O ATOM 410 CB TYR A 30 66.970 12.586 14.724 1.00 0.00 C ATOM 411 CG TYR A 30 68.448 12.990 14.630 1.00 0.00 C ATOM 412 CD1 TYR A 30 69.001 13.860 15.580 1.00 0.00 C ATOM 413 CD2 TYR A 30 69.241 12.487 13.597 1.00 0.00 C ATOM 414 CE1 TYR A 30 70.353 14.220 15.489 1.00 0.00 C ATOM 415 CE2 TYR A 30 70.590 12.845 13.509 1.00 0.00 C ATOM 416 CZ TYR A 30 71.149 13.715 14.456 1.00 0.00 C ATOM 417 OH TYR A 30 72.479 14.069 14.370 1.00 0.00 O ATOM 0 H TYR A 30 67.988 10.434 14.081 1.00 0.00 H new ATOM 0 HA TYR A 30 67.204 11.563 16.606 1.00 0.00 H new ATOM 0 HB2 TYR A 30 66.569 12.389 13.730 1.00 0.00 H new ATOM 0 HB3 TYR A 30 66.383 13.401 15.148 1.00 0.00 H new ATOM 0 HD1 TYR A 30 68.388 14.251 16.379 1.00 0.00 H new ATOM 0 HD2 TYR A 30 68.812 11.820 12.864 1.00 0.00 H new ATOM 0 HE1 TYR A 30 70.781 14.890 16.220 1.00 0.00 H new ATOM 0 HE2 TYR A 30 71.202 12.451 12.711 1.00 0.00 H new ATOM 0 HH TYR A 30 72.885 13.628 13.595 1.00 0.00 H new ATOM 427 N LYS A 31 64.528 11.769 16.249 1.00 0.00 N ATOM 428 CA LYS A 31 63.090 11.480 16.422 1.00 0.00 C ATOM 429 C LYS A 31 62.238 12.609 15.826 1.00 0.00 C ATOM 430 O LYS A 31 61.234 13.025 16.411 1.00 0.00 O ATOM 431 CB LYS A 31 62.771 11.308 17.934 1.00 0.00 C ATOM 432 CG LYS A 31 63.517 10.080 18.529 1.00 0.00 C ATOM 433 CD LYS A 31 63.192 9.917 20.040 1.00 0.00 C ATOM 434 CE LYS A 31 63.920 8.696 20.635 1.00 0.00 C ATOM 435 NZ LYS A 31 63.574 8.582 22.080 1.00 0.00 N ATOM 0 H LYS A 31 64.807 12.687 16.596 1.00 0.00 H new ATOM 0 HA LYS A 31 62.850 10.556 15.896 1.00 0.00 H new ATOM 0 HB2 LYS A 31 63.060 12.209 18.474 1.00 0.00 H new ATOM 0 HB3 LYS A 31 61.697 11.185 18.070 1.00 0.00 H new ATOM 0 HG2 LYS A 31 63.228 9.177 17.991 1.00 0.00 H new ATOM 0 HG3 LYS A 31 64.592 10.201 18.394 1.00 0.00 H new ATOM 0 HD2 LYS A 31 63.487 10.818 20.578 1.00 0.00 H new ATOM 0 HD3 LYS A 31 62.116 9.804 20.174 1.00 0.00 H new ATOM 0 HE2 LYS A 31 63.629 7.789 20.105 1.00 0.00 H new ATOM 0 HE3 LYS A 31 64.998 8.804 20.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 64.061 7.760 22.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 63.873 9.445 22.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 62.546 8.461 22.182 1.00 0.00 H new ATOM 449 N HIS A 32 62.646 13.090 14.647 1.00 0.00 N ATOM 450 CA HIS A 32 61.918 14.164 13.958 1.00 0.00 C ATOM 451 C HIS A 32 60.752 13.634 13.134 1.00 0.00 C ATOM 452 O HIS A 32 59.730 14.314 13.015 1.00 0.00 O ATOM 453 CB HIS A 32 62.860 14.933 13.029 1.00 0.00 C ATOM 454 CG HIS A 32 63.861 15.722 13.833 1.00 0.00 C ATOM 455 ND1 HIS A 32 63.479 16.660 14.775 1.00 0.00 N ATOM 456 CD2 HIS A 32 65.233 15.728 13.833 1.00 0.00 C ATOM 457 CE1 HIS A 32 64.599 17.189 15.301 1.00 0.00 C ATOM 458 NE2 HIS A 32 65.697 16.658 14.762 1.00 0.00 N ATOM 0 H HIS A 32 63.472 12.756 14.151 1.00 0.00 H new ATOM 0 HA HIS A 32 61.524 14.822 14.733 1.00 0.00 H new ATOM 0 HB2 HIS A 32 63.380 14.237 12.371 1.00 0.00 H new ATOM 0 HB3 HIS A 32 62.285 15.605 12.392 1.00 0.00 H new ATOM 0 HD2 HIS A 32 65.858 15.107 13.209 1.00 0.00 H new ATOM 0 HE1 HIS A 32 64.608 17.951 16.066 1.00 0.00 H new ATOM 0 HE2 HIS A 32 66.667 16.884 14.982 1.00 0.00 H new ATOM 466 N THR A 33 60.913 12.439 12.555 1.00 0.00 N ATOM 467 CA THR A 33 59.867 11.846 11.716 1.00 0.00 C ATOM 468 C THR A 33 58.803 11.166 12.574 1.00 0.00 C ATOM 469 O THR A 33 57.791 10.694 12.057 1.00 0.00 O ATOM 470 CB THR A 33 60.480 10.836 10.736 1.00 0.00 C ATOM 471 OG1 THR A 33 60.820 9.662 11.435 1.00 0.00 O ATOM 472 CG2 THR A 33 61.748 11.407 10.084 1.00 0.00 C ATOM 0 H THR A 33 61.752 11.867 12.651 1.00 0.00 H new ATOM 0 HA THR A 33 59.391 12.646 11.149 1.00 0.00 H new ATOM 0 HB THR A 33 59.748 10.621 9.957 1.00 0.00 H new ATOM 0 HG1 THR A 33 60.017 9.115 11.566 1.00 0.00 H new ATOM 0 HG21 THR A 33 62.164 10.673 9.394 1.00 0.00 H new ATOM 0 HG22 THR A 33 61.498 12.317 9.539 1.00 0.00 H new ATOM 0 HG23 THR A 33 62.482 11.636 10.856 1.00 0.00 H new ATOM 480 N ASP A 34 59.022 11.136 13.890 1.00 0.00 N ATOM 481 CA ASP A 34 58.048 10.527 14.805 1.00 0.00 C ATOM 482 C ASP A 34 56.755 11.343 14.840 1.00 0.00 C ATOM 483 O ASP A 34 55.742 10.885 15.371 1.00 0.00 O ATOM 484 CB ASP A 34 58.626 10.424 16.225 1.00 0.00 C ATOM 485 CG ASP A 34 59.478 9.162 16.373 1.00 0.00 C ATOM 486 OD1 ASP A 34 58.929 8.081 16.291 1.00 0.00 O ATOM 487 OD2 ASP A 34 60.675 9.301 16.542 1.00 0.00 O ATOM 0 H ASP A 34 59.851 11.519 14.343 1.00 0.00 H new ATOM 0 HA ASP A 34 57.828 9.525 14.437 1.00 0.00 H new ATOM 0 HB2 ASP A 34 59.231 11.304 16.441 1.00 0.00 H new ATOM 0 HB3 ASP A 34 57.815 10.408 16.953 1.00 0.00 H new ATOM 492 N MET A 35 56.791 12.541 14.262 1.00 0.00 N ATOM 493 CA MET A 35 55.608 13.398 14.224 1.00 0.00 C ATOM 494 C MET A 35 54.568 12.799 13.280 1.00 0.00 C ATOM 495 O MET A 35 54.909 12.029 12.382 1.00 0.00 O ATOM 496 CB MET A 35 55.980 14.814 13.745 1.00 0.00 C ATOM 497 CG MET A 35 56.766 15.581 14.827 1.00 0.00 C ATOM 498 SD MET A 35 55.630 16.272 16.069 1.00 0.00 S ATOM 499 CE MET A 35 55.412 17.931 15.367 1.00 0.00 C ATOM 0 H MET A 35 57.618 12.938 13.817 1.00 0.00 H new ATOM 0 HA MET A 35 55.196 13.464 15.231 1.00 0.00 H new ATOM 0 HB2 MET A 35 56.578 14.748 12.836 1.00 0.00 H new ATOM 0 HB3 MET A 35 55.074 15.364 13.491 1.00 0.00 H new ATOM 0 HG2 MET A 35 57.479 14.913 15.310 1.00 0.00 H new ATOM 0 HG3 MET A 35 57.342 16.383 14.366 1.00 0.00 H new ATOM 0 HE1 MET A 35 54.738 18.508 16.000 1.00 0.00 H new ATOM 0 HE2 MET A 35 56.378 18.433 15.312 1.00 0.00 H new ATOM 0 HE3 MET A 35 54.988 17.850 14.366 1.00 0.00 H new ATOM 509 N ASP A 36 53.300 13.152 13.496 1.00 0.00 N ATOM 510 CA ASP A 36 52.210 12.631 12.668 1.00 0.00 C ATOM 511 C ASP A 36 52.224 13.287 11.284 1.00 0.00 C ATOM 512 O ASP A 36 51.563 14.301 11.053 1.00 0.00 O ATOM 513 CB ASP A 36 50.863 12.902 13.361 1.00 0.00 C ATOM 514 CG ASP A 36 50.791 12.194 14.719 1.00 0.00 C ATOM 515 OD1 ASP A 36 51.690 11.425 15.025 1.00 0.00 O ATOM 516 OD2 ASP A 36 49.840 12.446 15.437 1.00 0.00 O ATOM 0 H ASP A 36 53.003 13.792 14.232 1.00 0.00 H new ATOM 0 HA ASP A 36 52.346 11.557 12.543 1.00 0.00 H new ATOM 0 HB2 ASP A 36 50.730 13.975 13.499 1.00 0.00 H new ATOM 0 HB3 ASP A 36 50.047 12.559 12.725 1.00 0.00 H new ATOM 521 N LEU A 37 52.983 12.683 10.367 1.00 0.00 N ATOM 522 CA LEU A 37 53.092 13.190 8.997 1.00 0.00 C ATOM 523 C LEU A 37 51.826 12.848 8.215 1.00 0.00 C ATOM 524 O LEU A 37 51.253 11.771 8.384 1.00 0.00 O ATOM 525 CB LEU A 37 54.307 12.552 8.285 1.00 0.00 C ATOM 526 CG LEU A 37 55.667 13.015 8.906 1.00 0.00 C ATOM 527 CD1 LEU A 37 56.812 12.141 8.371 1.00 0.00 C ATOM 528 CD2 LEU A 37 56.015 14.497 8.605 1.00 0.00 C ATOM 0 H LEU A 37 53.531 11.842 10.548 1.00 0.00 H new ATOM 0 HA LEU A 37 53.222 14.271 9.038 1.00 0.00 H new ATOM 0 HB2 LEU A 37 54.233 11.466 8.346 1.00 0.00 H new ATOM 0 HB3 LEU A 37 54.285 12.814 7.227 1.00 0.00 H new ATOM 0 HG LEU A 37 55.552 12.911 9.985 1.00 0.00 H new ATOM 0 HD11 LEU A 37 57.755 12.469 8.808 1.00 0.00 H new ATOM 0 HD12 LEU A 37 56.631 11.100 8.639 1.00 0.00 H new ATOM 0 HD13 LEU A 37 56.863 12.233 7.286 1.00 0.00 H new ATOM 0 HD21 LEU A 37 56.970 14.747 9.066 1.00 0.00 H new ATOM 0 HD22 LEU A 37 56.083 14.643 7.527 1.00 0.00 H new ATOM 0 HD23 LEU A 37 55.236 15.143 9.010 1.00 0.00 H new ATOM 540 N THR A 38 51.393 13.769 7.359 1.00 0.00 N ATOM 541 CA THR A 38 50.192 13.547 6.560 1.00 0.00 C ATOM 542 C THR A 38 50.395 12.392 5.583 1.00 0.00 C ATOM 543 O THR A 38 49.521 11.533 5.444 1.00 0.00 O ATOM 544 CB THR A 38 49.836 14.819 5.781 1.00 0.00 C ATOM 545 OG1 THR A 38 51.015 15.357 5.197 1.00 0.00 O ATOM 546 CG2 THR A 38 49.205 15.858 6.715 1.00 0.00 C ATOM 0 H THR A 38 51.850 14.667 7.201 1.00 0.00 H new ATOM 0 HA THR A 38 49.376 13.294 7.237 1.00 0.00 H new ATOM 0 HB THR A 38 49.118 14.568 5.000 1.00 0.00 H new ATOM 0 HG1 THR A 38 51.241 14.850 4.389 1.00 0.00 H new ATOM 0 HG21 THR A 38 48.958 16.755 6.147 1.00 0.00 H new ATOM 0 HG22 THR A 38 48.297 15.447 7.157 1.00 0.00 H new ATOM 0 HG23 THR A 38 49.910 16.112 7.506 1.00 0.00 H new ATOM 554 N TYR A 39 51.553 12.383 4.913 1.00 0.00 N ATOM 555 CA TYR A 39 51.879 11.335 3.941 1.00 0.00 C ATOM 556 C TYR A 39 52.393 10.082 4.645 1.00 0.00 C ATOM 557 O TYR A 39 53.250 10.161 5.527 1.00 0.00 O ATOM 558 CB TYR A 39 52.952 11.845 2.977 1.00 0.00 C ATOM 559 CG TYR A 39 52.349 12.923 2.068 1.00 0.00 C ATOM 560 CD1 TYR A 39 51.661 12.543 0.906 1.00 0.00 C ATOM 561 CD2 TYR A 39 52.477 14.280 2.388 1.00 0.00 C ATOM 562 CE1 TYR A 39 51.111 13.518 0.070 1.00 0.00 C ATOM 563 CE2 TYR A 39 51.925 15.254 1.551 1.00 0.00 C ATOM 564 CZ TYR A 39 51.240 14.874 0.391 1.00 0.00 C ATOM 565 OH TYR A 39 50.695 15.836 -0.436 1.00 0.00 O ATOM 0 H TYR A 39 52.279 13.090 5.027 1.00 0.00 H new ATOM 0 HA TYR A 39 50.972 11.082 3.392 1.00 0.00 H new ATOM 0 HB2 TYR A 39 53.794 12.254 3.536 1.00 0.00 H new ATOM 0 HB3 TYR A 39 53.338 11.021 2.376 1.00 0.00 H new ATOM 0 HD1 TYR A 39 51.557 11.497 0.658 1.00 0.00 H new ATOM 0 HD2 TYR A 39 53.003 14.575 3.284 1.00 0.00 H new ATOM 0 HE1 TYR A 39 50.585 13.224 -0.826 1.00 0.00 H new ATOM 0 HE2 TYR A 39 52.027 16.300 1.799 1.00 0.00 H new ATOM 0 HH TYR A 39 50.875 16.725 -0.066 1.00 0.00 H new ATOM 575 N THR A 40 51.867 8.927 4.248 1.00 0.00 N ATOM 576 CA THR A 40 52.285 7.662 4.845 1.00 0.00 C ATOM 577 C THR A 40 53.747 7.373 4.517 1.00 0.00 C ATOM 578 O THR A 40 54.541 7.084 5.415 1.00 0.00 O ATOM 579 CB THR A 40 51.409 6.517 4.320 1.00 0.00 C ATOM 580 OG1 THR A 40 51.260 6.648 2.914 1.00 0.00 O ATOM 581 CG2 THR A 40 50.031 6.552 4.988 1.00 0.00 C ATOM 0 H THR A 40 51.156 8.840 3.522 1.00 0.00 H new ATOM 0 HA THR A 40 52.172 7.739 5.926 1.00 0.00 H new ATOM 0 HB THR A 40 51.888 5.566 4.554 1.00 0.00 H new ATOM 0 HG1 THR A 40 50.702 5.917 2.575 1.00 0.00 H new ATOM 0 HG21 THR A 40 49.420 5.734 4.606 1.00 0.00 H new ATOM 0 HG22 THR A 40 50.147 6.445 6.067 1.00 0.00 H new ATOM 0 HG23 THR A 40 49.544 7.502 4.768 1.00 0.00 H new ATOM 589 N ASP A 41 54.078 7.467 3.221 1.00 0.00 N ATOM 590 CA ASP A 41 55.442 7.225 2.733 1.00 0.00 C ATOM 591 C ASP A 41 56.252 8.523 2.738 1.00 0.00 C ATOM 592 O ASP A 41 56.007 9.429 1.942 1.00 0.00 O ATOM 593 CB ASP A 41 55.380 6.650 1.310 1.00 0.00 C ATOM 594 CG ASP A 41 56.762 6.169 0.884 1.00 0.00 C ATOM 595 OD1 ASP A 41 57.226 5.199 1.447 1.00 0.00 O ATOM 596 OD2 ASP A 41 57.334 6.784 -0.008 1.00 0.00 O ATOM 0 H ASP A 41 53.413 7.711 2.487 1.00 0.00 H new ATOM 0 HA ASP A 41 55.934 6.511 3.394 1.00 0.00 H new ATOM 0 HB2 ASP A 41 54.670 5.823 1.273 1.00 0.00 H new ATOM 0 HB3 ASP A 41 55.020 7.410 0.617 1.00 0.00 H new ATOM 601 N ARG A 42 57.215 8.607 3.648 1.00 0.00 N ATOM 602 CA ARG A 42 58.050 9.801 3.749 1.00 0.00 C ATOM 603 C ARG A 42 58.877 9.952 2.471 1.00 0.00 C ATOM 604 O ARG A 42 58.986 11.052 1.925 1.00 0.00 O ATOM 605 CB ARG A 42 58.975 9.678 4.983 1.00 0.00 C ATOM 606 CG ARG A 42 59.633 11.042 5.358 1.00 0.00 C ATOM 607 CD ARG A 42 60.624 10.872 6.532 1.00 0.00 C ATOM 608 NE ARG A 42 61.112 12.185 6.980 1.00 0.00 N ATOM 609 CZ ARG A 42 62.010 12.893 6.314 1.00 0.00 C ATOM 610 NH1 ARG A 42 62.529 12.420 5.216 1.00 0.00 N ATOM 611 NH2 ARG A 42 62.372 14.065 6.753 1.00 0.00 N ATOM 0 H ARG A 42 57.437 7.873 4.320 1.00 0.00 H new ATOM 0 HA ARG A 42 57.423 10.685 3.867 1.00 0.00 H new ATOM 0 HB2 ARG A 42 58.400 9.307 5.832 1.00 0.00 H new ATOM 0 HB3 ARG A 42 59.754 8.943 4.780 1.00 0.00 H new ATOM 0 HG2 ARG A 42 60.155 11.449 4.492 1.00 0.00 H new ATOM 0 HG3 ARG A 42 58.860 11.761 5.630 1.00 0.00 H new ATOM 0 HD2 ARG A 42 60.135 10.357 7.358 1.00 0.00 H new ATOM 0 HD3 ARG A 42 61.464 10.251 6.221 1.00 0.00 H new ATOM 0 HE ARG A 42 60.739 12.569 7.848 1.00 0.00 H new ATOM 0 HH11 ARG A 42 62.243 11.504 4.870 1.00 0.00 H new ATOM 0 HH12 ARG A 42 63.221 12.966 4.703 1.00 0.00 H new ATOM 0 HH21 ARG A 42 61.963 14.437 7.610 1.00 0.00 H new ATOM 0 HH22 ARG A 42 63.064 14.610 6.239 1.00 0.00 H new ATOM 625 N ASP A 43 59.466 8.841 2.020 1.00 0.00 N ATOM 626 CA ASP A 43 60.299 8.836 0.813 1.00 0.00 C ATOM 627 C ASP A 43 60.405 7.426 0.240 1.00 0.00 C ATOM 628 O ASP A 43 59.990 6.454 0.874 1.00 0.00 O ATOM 629 CB ASP A 43 61.707 9.356 1.135 1.00 0.00 C ATOM 630 CG ASP A 43 62.406 8.414 2.115 1.00 0.00 C ATOM 631 OD1 ASP A 43 61.809 8.103 3.137 1.00 0.00 O ATOM 632 OD2 ASP A 43 63.520 8.016 1.826 1.00 0.00 O ATOM 0 H ASP A 43 59.381 7.931 2.473 1.00 0.00 H new ATOM 0 HA ASP A 43 59.830 9.488 0.076 1.00 0.00 H new ATOM 0 HB2 ASP A 43 62.291 9.438 0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 43 61.644 10.357 1.563 1.00 0.00 H new ATOM 637 N TYR A 44 60.968 7.328 -0.962 1.00 0.00 N ATOM 638 CA TYR A 44 61.133 6.040 -1.630 1.00 0.00 C ATOM 639 C TYR A 44 62.234 5.225 -0.957 1.00 0.00 C ATOM 640 O TYR A 44 63.330 5.730 -0.709 1.00 0.00 O ATOM 641 CB TYR A 44 61.487 6.270 -3.103 1.00 0.00 C ATOM 642 CG TYR A 44 61.394 4.947 -3.877 1.00 0.00 C ATOM 643 CD1 TYR A 44 60.143 4.494 -4.316 1.00 0.00 C ATOM 644 CD2 TYR A 44 62.544 4.198 -4.151 1.00 0.00 C ATOM 645 CE1 TYR A 44 60.043 3.290 -5.030 1.00 0.00 C ATOM 646 CE2 TYR A 44 62.443 2.998 -4.862 1.00 0.00 C ATOM 647 CZ TYR A 44 61.189 2.542 -5.302 1.00 0.00 C ATOM 648 OH TYR A 44 61.091 1.357 -6.003 1.00 0.00 O ATOM 0 H TYR A 44 61.318 8.125 -1.493 1.00 0.00 H new ATOM 0 HA TYR A 44 60.198 5.485 -1.560 1.00 0.00 H new ATOM 0 HB2 TYR A 44 60.809 7.004 -3.538 1.00 0.00 H new ATOM 0 HB3 TYR A 44 62.494 6.679 -3.184 1.00 0.00 H new ATOM 0 HD1 TYR A 44 59.255 5.072 -4.105 1.00 0.00 H new ATOM 0 HD2 TYR A 44 63.509 4.547 -3.814 1.00 0.00 H new ATOM 0 HE1 TYR A 44 59.078 2.942 -5.369 1.00 0.00 H new ATOM 0 HE2 TYR A 44 63.331 2.421 -5.073 1.00 0.00 H new ATOM 0 HH TYR A 44 61.983 0.964 -6.107 1.00 0.00 H new ATOM 658 N LYS A 45 61.934 3.961 -0.664 1.00 0.00 N ATOM 659 CA LYS A 45 62.902 3.078 -0.017 1.00 0.00 C ATOM 660 C LYS A 45 64.022 2.720 -0.993 1.00 0.00 C ATOM 661 O LYS A 45 63.765 2.406 -2.155 1.00 0.00 O ATOM 662 CB LYS A 45 62.210 1.782 0.455 1.00 0.00 C ATOM 663 CG LYS A 45 61.190 2.072 1.591 1.00 0.00 C ATOM 664 CD LYS A 45 60.450 0.773 2.013 1.00 0.00 C ATOM 665 CE LYS A 45 59.452 1.050 3.155 1.00 0.00 C ATOM 666 NZ LYS A 45 58.758 -0.219 3.509 1.00 0.00 N ATOM 0 H LYS A 45 61.033 3.527 -0.863 1.00 0.00 H new ATOM 0 HA LYS A 45 63.321 3.599 0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 45 61.699 1.313 -0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 45 62.960 1.074 0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 45 61.708 2.497 2.451 1.00 0.00 H new ATOM 0 HG3 LYS A 45 60.467 2.815 1.255 1.00 0.00 H new ATOM 0 HD2 LYS A 45 59.920 0.357 1.156 1.00 0.00 H new ATOM 0 HD3 LYS A 45 61.175 0.025 2.333 1.00 0.00 H new ATOM 0 HE2 LYS A 45 59.975 1.448 4.024 1.00 0.00 H new ATOM 0 HE3 LYS A 45 58.727 1.803 2.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 58.082 -0.042 4.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 58.248 -0.580 2.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 59.458 -0.923 3.818 1.00 0.00 H new ATOM 680 N ASN A 46 65.259 2.768 -0.505 1.00 0.00 N ATOM 681 CA ASN A 46 66.421 2.449 -1.335 1.00 0.00 C ATOM 682 C ASN A 46 66.501 0.948 -1.600 1.00 0.00 C ATOM 683 O ASN A 46 66.017 0.139 -0.807 1.00 0.00 O ATOM 684 CB ASN A 46 67.704 2.910 -0.639 1.00 0.00 C ATOM 685 CG ASN A 46 67.735 4.432 -0.520 1.00 0.00 C ATOM 686 OD1 ASN A 46 67.578 5.140 -1.514 1.00 0.00 O ATOM 687 ND2 ASN A 46 67.946 4.980 0.649 1.00 0.00 N ATOM 0 H ASN A 46 65.484 3.023 0.457 1.00 0.00 H new ATOM 0 HA ASN A 46 66.313 2.970 -2.286 1.00 0.00 H new ATOM 0 HB2 ASN A 46 67.768 2.461 0.352 1.00 0.00 H new ATOM 0 HB3 ASN A 46 68.572 2.566 -1.201 1.00 0.00 H new ATOM 0 HD21 ASN A 46 67.981 5.996 0.737 1.00 0.00 H new ATOM 0 HD22 ASN A 46 68.076 4.392 1.472 1.00 0.00 H new ATOM 694 N CYS A 47 67.117 0.584 -2.722 1.00 0.00 N ATOM 695 CA CYS A 47 67.261 -0.820 -3.089 1.00 0.00 C ATOM 696 C CYS A 47 68.235 -1.527 -2.150 1.00 0.00 C ATOM 697 O CYS A 47 68.966 -0.883 -1.400 1.00 0.00 O ATOM 698 CB CYS A 47 67.767 -0.934 -4.529 1.00 0.00 C ATOM 699 SG CYS A 47 67.041 0.388 -5.530 1.00 0.00 S ATOM 0 H CYS A 47 67.523 1.240 -3.390 1.00 0.00 H new ATOM 0 HA CYS A 47 66.285 -1.297 -3.006 1.00 0.00 H new ATOM 0 HB2 CYS A 47 68.855 -0.865 -4.550 1.00 0.00 H new ATOM 0 HB3 CYS A 47 67.501 -1.906 -4.943 1.00 0.00 H new ATOM 0 HG CYS A 47 67.472 0.293 -6.753 1.00 0.00 H new ATOM 705 N GLU A 48 68.230 -2.857 -2.194 1.00 0.00 N ATOM 706 CA GLU A 48 69.111 -3.651 -1.339 1.00 0.00 C ATOM 707 C GLU A 48 70.574 -3.388 -1.693 1.00 0.00 C ATOM 708 O GLU A 48 71.142 -4.050 -2.561 1.00 0.00 O ATOM 709 CB GLU A 48 68.814 -5.152 -1.514 1.00 0.00 C ATOM 710 CG GLU A 48 67.419 -5.515 -0.957 1.00 0.00 C ATOM 711 CD GLU A 48 67.093 -6.984 -1.237 1.00 0.00 C ATOM 712 OE1 GLU A 48 67.963 -7.690 -1.714 1.00 0.00 O ATOM 713 OE2 GLU A 48 65.967 -7.371 -0.970 1.00 0.00 O ATOM 0 H GLU A 48 67.629 -3.406 -2.809 1.00 0.00 H new ATOM 0 HA GLU A 48 68.931 -3.362 -0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 48 68.866 -5.415 -2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 48 69.577 -5.738 -1.002 1.00 0.00 H new ATOM 0 HG2 GLU A 48 67.390 -5.329 0.117 1.00 0.00 H new ATOM 0 HG3 GLU A 48 66.662 -4.876 -1.412 1.00 0.00 H new ATOM 720 N SER A 49 71.176 -2.420 -1.010 1.00 0.00 N ATOM 721 CA SER A 49 72.572 -2.079 -1.254 1.00 0.00 C ATOM 722 C SER A 49 73.481 -3.260 -0.931 1.00 0.00 C ATOM 723 O SER A 49 74.441 -3.522 -1.659 1.00 0.00 O ATOM 724 CB SER A 49 72.971 -0.875 -0.400 1.00 0.00 C ATOM 725 OG SER A 49 72.067 0.195 -0.646 1.00 0.00 O ATOM 0 H SER A 49 70.722 -1.861 -0.288 1.00 0.00 H new ATOM 0 HA SER A 49 72.685 -1.830 -2.309 1.00 0.00 H new ATOM 0 HB2 SER A 49 72.957 -1.143 0.656 1.00 0.00 H new ATOM 0 HB3 SER A 49 73.990 -0.568 -0.637 1.00 0.00 H new ATOM 0 HG SER A 49 72.319 0.968 -0.099 1.00 0.00 H new ATOM 731 N TYR A 50 73.164 -3.956 0.172 1.00 0.00 N ATOM 732 CA TYR A 50 73.937 -5.122 0.628 1.00 0.00 C ATOM 733 C TYR A 50 73.029 -6.118 1.346 1.00 0.00 C ATOM 734 O TYR A 50 72.010 -5.728 1.920 1.00 0.00 O ATOM 735 CB TYR A 50 75.050 -4.682 1.586 1.00 0.00 C ATOM 736 CG TYR A 50 76.110 -3.878 0.822 1.00 0.00 C ATOM 737 CD1 TYR A 50 77.106 -4.556 0.109 1.00 0.00 C ATOM 738 CD2 TYR A 50 76.091 -2.475 0.837 1.00 0.00 C ATOM 739 CE1 TYR A 50 78.081 -3.834 -0.588 1.00 0.00 C ATOM 740 CE2 TYR A 50 77.068 -1.756 0.138 1.00 0.00 C ATOM 741 CZ TYR A 50 78.064 -2.435 -0.578 1.00 0.00 C ATOM 742 OH TYR A 50 79.027 -1.725 -1.265 1.00 0.00 O ATOM 0 H TYR A 50 72.370 -3.728 0.770 1.00 0.00 H new ATOM 0 HA TYR A 50 74.377 -5.599 -0.248 1.00 0.00 H new ATOM 0 HB2 TYR A 50 74.631 -4.076 2.390 1.00 0.00 H new ATOM 0 HB3 TYR A 50 75.508 -5.555 2.050 1.00 0.00 H new ATOM 0 HD1 TYR A 50 77.122 -5.636 0.097 1.00 0.00 H new ATOM 0 HD2 TYR A 50 75.324 -1.950 1.387 1.00 0.00 H new ATOM 0 HE1 TYR A 50 78.850 -4.359 -1.136 1.00 0.00 H new ATOM 0 HE2 TYR A 50 77.054 -0.676 0.150 1.00 0.00 H new ATOM 0 HH TYR A 50 78.867 -0.765 -1.154 1.00 0.00 H new ATOM 752 N HIS A 51 73.437 -7.395 1.313 1.00 0.00 N ATOM 753 CA HIS A 51 72.705 -8.490 1.964 1.00 0.00 C ATOM 754 C HIS A 51 73.280 -8.746 3.355 1.00 0.00 C ATOM 755 O HIS A 51 72.798 -9.605 4.094 1.00 0.00 O ATOM 756 CB HIS A 51 72.832 -9.760 1.119 1.00 0.00 C ATOM 757 CG HIS A 51 72.050 -9.596 -0.154 1.00 0.00 C ATOM 758 ND1 HIS A 51 72.601 -9.025 -1.294 1.00 0.00 N ATOM 759 CD2 HIS A 51 70.760 -9.920 -0.486 1.00 0.00 C ATOM 760 CE1 HIS A 51 71.651 -9.027 -2.248 1.00 0.00 C ATOM 761 NE2 HIS A 51 70.508 -9.561 -1.804 1.00 0.00 N ATOM 0 H HIS A 51 74.285 -7.697 0.833 1.00 0.00 H new ATOM 0 HA HIS A 51 71.655 -8.214 2.056 1.00 0.00 H new ATOM 0 HB2 HIS A 51 73.880 -9.955 0.892 1.00 0.00 H new ATOM 0 HB3 HIS A 51 72.462 -10.620 1.678 1.00 0.00 H new ATOM 0 HD2 HIS A 51 70.046 -10.385 0.178 1.00 0.00 H new ATOM 0 HE1 HIS A 51 71.794 -8.645 -3.248 1.00 0.00 H new ATOM 0 HE2 HIS A 51 69.638 -9.679 -2.322 1.00 0.00 H new ATOM 769 N LYS A 52 74.324 -7.999 3.695 1.00 0.00 N ATOM 770 CA LYS A 52 74.988 -8.145 4.988 1.00 0.00 C ATOM 771 C LYS A 52 74.029 -7.842 6.137 1.00 0.00 C ATOM 772 O LYS A 52 74.092 -8.500 7.177 1.00 0.00 O ATOM 773 CB LYS A 52 76.189 -7.187 5.085 1.00 0.00 C ATOM 774 CG LYS A 52 77.303 -7.579 4.078 1.00 0.00 C ATOM 775 CD LYS A 52 78.484 -6.573 4.145 1.00 0.00 C ATOM 776 CE LYS A 52 79.598 -6.963 3.155 1.00 0.00 C ATOM 777 NZ LYS A 52 80.700 -5.965 3.247 1.00 0.00 N ATOM 0 H LYS A 52 74.731 -7.284 3.092 1.00 0.00 H new ATOM 0 HA LYS A 52 75.327 -9.178 5.066 1.00 0.00 H new ATOM 0 HB2 LYS A 52 75.860 -6.167 4.888 1.00 0.00 H new ATOM 0 HB3 LYS A 52 76.589 -7.203 6.099 1.00 0.00 H new ATOM 0 HG2 LYS A 52 77.662 -8.584 4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 52 76.895 -7.601 3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 52 78.125 -5.569 3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 52 78.886 -6.545 5.158 1.00 0.00 H new ATOM 0 HE2 LYS A 52 79.973 -7.960 3.384 1.00 0.00 H new ATOM 0 HE3 LYS A 52 79.204 -6.996 2.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 81.457 -6.221 2.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 80.334 -5.021 3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 81.079 -5.955 4.215 1.00 0.00 H new ATOM 791 N CYS A 53 73.144 -6.858 5.922 1.00 0.00 N ATOM 792 CA CYS A 53 72.146 -6.448 6.919 1.00 0.00 C ATOM 793 C CYS A 53 70.788 -7.066 6.595 1.00 0.00 C ATOM 794 O CYS A 53 70.467 -7.302 5.430 1.00 0.00 O ATOM 795 CB CYS A 53 72.032 -4.919 6.885 1.00 0.00 C ATOM 796 SG CYS A 53 70.592 -4.354 7.830 1.00 0.00 S ATOM 0 H CYS A 53 73.100 -6.325 5.053 1.00 0.00 H new ATOM 0 HA CYS A 53 72.454 -6.787 7.908 1.00 0.00 H new ATOM 0 HB2 CYS A 53 72.938 -4.474 7.296 1.00 0.00 H new ATOM 0 HB3 CYS A 53 71.950 -4.580 5.852 1.00 0.00 H new ATOM 0 HG CYS A 53 70.315 -3.126 7.506 1.00 0.00 H new ATOM 802 N SER A 54 69.984 -7.310 7.635 1.00 0.00 N ATOM 803 CA SER A 54 68.644 -7.886 7.466 1.00 0.00 C ATOM 804 C SER A 54 67.694 -6.960 6.671 1.00 0.00 C ATOM 805 O SER A 54 66.532 -7.310 6.465 1.00 0.00 O ATOM 806 CB SER A 54 68.040 -8.178 8.840 1.00 0.00 C ATOM 807 OG SER A 54 69.009 -8.833 9.648 1.00 0.00 O ATOM 0 H SER A 54 70.237 -7.118 8.604 1.00 0.00 H new ATOM 0 HA SER A 54 68.755 -8.806 6.892 1.00 0.00 H new ATOM 0 HB2 SER A 54 67.721 -7.250 9.315 1.00 0.00 H new ATOM 0 HB3 SER A 54 67.154 -8.804 8.735 1.00 0.00 H new ATOM 0 HG SER A 54 68.626 -9.020 10.530 1.00 0.00 H new ATOM 813 N ASP A 55 68.207 -5.795 6.221 1.00 0.00 N ATOM 814 CA ASP A 55 67.458 -4.806 5.429 1.00 0.00 C ATOM 815 C ASP A 55 66.426 -4.048 6.259 1.00 0.00 C ATOM 816 O ASP A 55 65.847 -3.070 5.783 1.00 0.00 O ATOM 817 CB ASP A 55 66.767 -5.463 4.223 1.00 0.00 C ATOM 818 CG ASP A 55 66.678 -4.486 3.054 1.00 0.00 C ATOM 819 OD1 ASP A 55 67.715 -4.178 2.483 1.00 0.00 O ATOM 820 OD2 ASP A 55 65.579 -4.077 2.742 1.00 0.00 O ATOM 0 H ASP A 55 69.170 -5.514 6.403 1.00 0.00 H new ATOM 0 HA ASP A 55 68.195 -4.086 5.073 1.00 0.00 H new ATOM 0 HB2 ASP A 55 67.321 -6.351 3.920 1.00 0.00 H new ATOM 0 HB3 ASP A 55 65.767 -5.792 4.505 1.00 0.00 H new ATOM 825 N LEU A 56 66.195 -4.483 7.490 1.00 0.00 N ATOM 826 CA LEU A 56 65.229 -3.808 8.340 1.00 0.00 C ATOM 827 C LEU A 56 65.732 -2.406 8.656 1.00 0.00 C ATOM 828 O LEU A 56 65.009 -1.429 8.456 1.00 0.00 O ATOM 829 CB LEU A 56 65.033 -4.585 9.664 1.00 0.00 C ATOM 830 CG LEU A 56 64.544 -6.057 9.431 1.00 0.00 C ATOM 831 CD1 LEU A 56 64.449 -6.814 10.767 1.00 0.00 C ATOM 832 CD2 LEU A 56 63.162 -6.135 8.739 1.00 0.00 C ATOM 0 H LEU A 56 66.656 -5.287 7.916 1.00 0.00 H new ATOM 0 HA LEU A 56 64.275 -3.758 7.815 1.00 0.00 H new ATOM 0 HB2 LEU A 56 65.974 -4.601 10.215 1.00 0.00 H new ATOM 0 HB3 LEU A 56 64.309 -4.059 10.286 1.00 0.00 H new ATOM 0 HG LEU A 56 65.285 -6.513 8.775 1.00 0.00 H new ATOM 0 HD11 LEU A 56 64.108 -7.833 10.584 1.00 0.00 H new ATOM 0 HD12 LEU A 56 65.430 -6.839 11.242 1.00 0.00 H new ATOM 0 HD13 LEU A 56 63.741 -6.307 11.423 1.00 0.00 H new ATOM 0 HD21 LEU A 56 62.880 -7.179 8.606 1.00 0.00 H new ATOM 0 HD22 LEU A 56 62.417 -5.634 9.357 1.00 0.00 H new ATOM 0 HD23 LEU A 56 63.214 -5.647 7.766 1.00 0.00 H new ATOM 844 N CYS A 57 66.986 -2.330 9.131 1.00 0.00 N ATOM 845 CA CYS A 57 67.642 -1.068 9.472 1.00 0.00 C ATOM 846 C CYS A 57 68.435 -0.578 8.266 1.00 0.00 C ATOM 847 O CYS A 57 69.171 -1.352 7.652 1.00 0.00 O ATOM 848 CB CYS A 57 68.526 -1.322 10.693 1.00 0.00 C ATOM 849 SG CYS A 57 69.728 0.021 10.949 1.00 0.00 S ATOM 0 H CYS A 57 67.572 -3.150 9.288 1.00 0.00 H new ATOM 0 HA CYS A 57 66.924 -0.287 9.721 1.00 0.00 H new ATOM 0 HB2 CYS A 57 67.900 -1.424 11.580 1.00 0.00 H new ATOM 0 HB3 CYS A 57 69.057 -2.266 10.567 1.00 0.00 H new ATOM 0 HG CYS A 57 70.893 -0.486 11.224 1.00 0.00 H new ATOM 854 N GLN A 58 68.247 0.690 7.908 1.00 0.00 N ATOM 855 CA GLN A 58 68.908 1.273 6.735 1.00 0.00 C ATOM 856 C GLN A 58 70.388 1.614 6.963 1.00 0.00 C ATOM 857 O GLN A 58 71.197 1.485 6.048 1.00 0.00 O ATOM 858 CB GLN A 58 68.138 2.530 6.278 1.00 0.00 C ATOM 859 CG GLN A 58 68.304 3.703 7.272 1.00 0.00 C ATOM 860 CD GLN A 58 67.139 4.680 7.128 1.00 0.00 C ATOM 861 OE1 GLN A 58 66.595 4.847 6.039 1.00 0.00 O ATOM 862 NE2 GLN A 58 66.732 5.345 8.173 1.00 0.00 N ATOM 0 H GLN A 58 67.642 1.338 8.412 1.00 0.00 H new ATOM 0 HA GLN A 58 68.891 0.510 5.957 1.00 0.00 H new ATOM 0 HB2 GLN A 58 68.494 2.835 5.294 1.00 0.00 H new ATOM 0 HB3 GLN A 58 67.080 2.289 6.174 1.00 0.00 H new ATOM 0 HG2 GLN A 58 68.346 3.322 8.292 1.00 0.00 H new ATOM 0 HG3 GLN A 58 69.246 4.218 7.085 1.00 0.00 H new ATOM 0 HE21 GLN A 58 67.186 5.204 9.076 1.00 0.00 H new ATOM 0 HE22 GLN A 58 65.960 6.006 8.088 1.00 0.00 H new ATOM 871 N TYR A 59 70.723 2.084 8.161 1.00 0.00 N ATOM 872 CA TYR A 59 72.101 2.486 8.468 1.00 0.00 C ATOM 873 C TYR A 59 73.004 1.287 8.706 1.00 0.00 C ATOM 874 O TYR A 59 74.222 1.381 8.556 1.00 0.00 O ATOM 875 CB TYR A 59 72.121 3.391 9.697 1.00 0.00 C ATOM 876 CG TYR A 59 72.969 4.631 9.389 1.00 0.00 C ATOM 877 CD1 TYR A 59 74.352 4.589 9.586 1.00 0.00 C ATOM 878 CD2 TYR A 59 72.366 5.794 8.903 1.00 0.00 C ATOM 879 CE1 TYR A 59 75.137 5.713 9.291 1.00 0.00 C ATOM 880 CE2 TYR A 59 73.150 6.921 8.613 1.00 0.00 C ATOM 881 CZ TYR A 59 74.536 6.878 8.809 1.00 0.00 C ATOM 882 OH TYR A 59 75.310 7.983 8.521 1.00 0.00 O ATOM 0 H TYR A 59 70.067 2.197 8.934 1.00 0.00 H new ATOM 0 HA TYR A 59 72.482 3.027 7.602 1.00 0.00 H new ATOM 0 HB2 TYR A 59 71.106 3.686 9.964 1.00 0.00 H new ATOM 0 HB3 TYR A 59 72.533 2.856 10.552 1.00 0.00 H new ATOM 0 HD1 TYR A 59 74.816 3.691 9.965 1.00 0.00 H new ATOM 0 HD2 TYR A 59 71.297 5.825 8.751 1.00 0.00 H new ATOM 0 HE1 TYR A 59 76.207 5.678 9.437 1.00 0.00 H new ATOM 0 HE2 TYR A 59 72.685 7.821 8.239 1.00 0.00 H new ATOM 0 HH TYR A 59 74.737 8.708 8.195 1.00 0.00 H new ATOM 892 N CYS A 60 72.414 0.165 9.082 1.00 0.00 N ATOM 893 CA CYS A 60 73.190 -1.030 9.341 1.00 0.00 C ATOM 894 C CYS A 60 73.820 -1.560 8.055 1.00 0.00 C ATOM 895 O CYS A 60 74.760 -2.353 8.100 1.00 0.00 O ATOM 896 CB CYS A 60 72.288 -2.108 9.910 1.00 0.00 C ATOM 897 SG CYS A 60 72.248 -2.060 11.734 1.00 0.00 S ATOM 0 H CYS A 60 71.408 0.059 9.213 1.00 0.00 H new ATOM 0 HA CYS A 60 73.978 -0.775 10.050 1.00 0.00 H new ATOM 0 HB2 CYS A 60 71.278 -1.981 9.520 1.00 0.00 H new ATOM 0 HB3 CYS A 60 72.636 -3.086 9.579 1.00 0.00 H new ATOM 0 HG CYS A 60 72.418 -0.837 12.140 1.00 0.00 H new ATOM 902 N ARG A 61 73.272 -1.143 6.919 1.00 0.00 N ATOM 903 CA ARG A 61 73.760 -1.610 5.618 1.00 0.00 C ATOM 904 C ARG A 61 75.229 -1.266 5.423 1.00 0.00 C ATOM 905 O ARG A 61 75.972 -2.057 4.839 1.00 0.00 O ATOM 906 CB ARG A 61 72.952 -0.950 4.489 1.00 0.00 C ATOM 907 CG ARG A 61 71.498 -1.480 4.465 1.00 0.00 C ATOM 908 CD ARG A 61 70.640 -0.691 3.460 1.00 0.00 C ATOM 909 NE ARG A 61 69.314 -1.295 3.368 1.00 0.00 N ATOM 910 CZ ARG A 61 68.354 -0.775 2.613 1.00 0.00 C ATOM 911 NH1 ARG A 61 68.570 0.339 1.969 1.00 0.00 N ATOM 912 NH2 ARG A 61 67.201 -1.375 2.515 1.00 0.00 N ATOM 0 H ARG A 61 72.493 -0.486 6.868 1.00 0.00 H new ATOM 0 HA ARG A 61 73.641 -2.693 5.590 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.947 0.131 4.625 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.431 -1.148 3.530 1.00 0.00 H new ATOM 0 HG2 ARG A 61 71.497 -2.537 4.199 1.00 0.00 H new ATOM 0 HG3 ARG A 61 71.062 -1.402 5.461 1.00 0.00 H new ATOM 0 HD2 ARG A 61 70.556 0.349 3.776 1.00 0.00 H new ATOM 0 HD3 ARG A 61 71.119 -0.689 2.481 1.00 0.00 H new ATOM 0 HE ARG A 61 69.119 -2.143 3.900 1.00 0.00 H new ATOM 0 HH11 ARG A 61 69.473 0.806 2.047 1.00 0.00 H new ATOM 0 HH12 ARG A 61 67.836 0.743 1.388 1.00 0.00 H new ATOM 0 HH21 ARG A 61 67.035 -2.246 3.019 1.00 0.00 H new ATOM 0 HH22 ARG A 61 66.465 -0.973 1.934 1.00 0.00 H new ATOM 926 N TYR A 62 75.629 -0.088 5.917 1.00 0.00 N ATOM 927 CA TYR A 62 77.013 0.387 5.804 1.00 0.00 C ATOM 928 C TYR A 62 77.830 0.049 7.047 1.00 0.00 C ATOM 929 O TYR A 62 78.941 -0.477 6.929 1.00 0.00 O ATOM 930 CB TYR A 62 77.011 1.905 5.614 1.00 0.00 C ATOM 931 CG TYR A 62 76.304 2.249 4.297 1.00 0.00 C ATOM 932 CD1 TYR A 62 77.022 2.219 3.096 1.00 0.00 C ATOM 933 CD2 TYR A 62 74.940 2.579 4.291 1.00 0.00 C ATOM 934 CE1 TYR A 62 76.381 2.523 1.890 1.00 0.00 C ATOM 935 CE2 TYR A 62 74.305 2.894 3.088 1.00 0.00 C ATOM 936 CZ TYR A 62 75.019 2.862 1.887 1.00 0.00 C ATOM 937 OH TYR A 62 74.385 3.162 0.698 1.00 0.00 O ATOM 0 H TYR A 62 75.007 0.558 6.403 1.00 0.00 H new ATOM 0 HA TYR A 62 77.469 -0.111 4.948 1.00 0.00 H new ATOM 0 HB2 TYR A 62 76.503 2.387 6.449 1.00 0.00 H new ATOM 0 HB3 TYR A 62 78.033 2.283 5.601 1.00 0.00 H new ATOM 0 HD1 TYR A 62 78.071 1.961 3.100 1.00 0.00 H new ATOM 0 HD2 TYR A 62 74.382 2.589 5.216 1.00 0.00 H new ATOM 0 HE1 TYR A 62 76.934 2.497 0.962 1.00 0.00 H new ATOM 0 HE2 TYR A 62 73.259 3.163 3.086 1.00 0.00 H new ATOM 0 HH TYR A 62 73.444 3.374 0.873 1.00 0.00 H new ATOM 947 N GLN A 63 77.279 0.394 8.226 1.00 0.00 N ATOM 948 CA GLN A 63 77.952 0.168 9.526 1.00 0.00 C ATOM 949 C GLN A 63 76.954 -0.284 10.591 1.00 0.00 C ATOM 950 O GLN A 63 76.077 0.483 10.977 1.00 0.00 O ATOM 951 CB GLN A 63 78.601 1.477 10.035 1.00 0.00 C ATOM 952 CG GLN A 63 79.836 1.897 9.206 1.00 0.00 C ATOM 953 CD GLN A 63 80.385 3.224 9.733 1.00 0.00 C ATOM 954 OE1 GLN A 63 79.879 3.760 10.721 1.00 0.00 O ATOM 955 NE2 GLN A 63 81.386 3.794 9.123 1.00 0.00 N ATOM 0 H GLN A 63 76.362 0.834 8.308 1.00 0.00 H new ATOM 0 HA GLN A 63 78.706 -0.602 9.363 1.00 0.00 H new ATOM 0 HB2 GLN A 63 77.862 2.278 10.008 1.00 0.00 H new ATOM 0 HB3 GLN A 63 78.895 1.350 11.077 1.00 0.00 H new ATOM 0 HG2 GLN A 63 80.604 1.126 9.264 1.00 0.00 H new ATOM 0 HG3 GLN A 63 79.564 1.997 8.155 1.00 0.00 H new ATOM 0 HE21 GLN A 63 81.805 3.350 8.305 1.00 0.00 H new ATOM 0 HE22 GLN A 63 81.751 4.684 9.463 1.00 0.00 H new ATOM 964 N LYS A 64 77.096 -1.540 11.031 1.00 0.00 N ATOM 965 CA LYS A 64 76.209 -2.149 12.044 1.00 0.00 C ATOM 966 C LYS A 64 76.012 -1.253 13.271 1.00 0.00 C ATOM 967 O LYS A 64 76.945 -0.578 13.712 1.00 0.00 O ATOM 968 CB LYS A 64 76.797 -3.492 12.528 1.00 0.00 C ATOM 969 CG LYS A 64 77.061 -4.514 11.380 1.00 0.00 C ATOM 970 CD LYS A 64 75.780 -4.906 10.594 1.00 0.00 C ATOM 971 CE LYS A 64 76.010 -6.223 9.836 1.00 0.00 C ATOM 972 NZ LYS A 64 74.976 -6.362 8.774 1.00 0.00 N ATOM 0 H LYS A 64 77.828 -2.168 10.698 1.00 0.00 H new ATOM 0 HA LYS A 64 75.244 -2.293 11.558 1.00 0.00 H new ATOM 0 HB2 LYS A 64 77.733 -3.300 13.053 1.00 0.00 H new ATOM 0 HB3 LYS A 64 76.113 -3.939 13.249 1.00 0.00 H new ATOM 0 HG2 LYS A 64 77.788 -4.090 10.687 1.00 0.00 H new ATOM 0 HG3 LYS A 64 77.509 -5.414 11.801 1.00 0.00 H new ATOM 0 HD2 LYS A 64 74.941 -5.014 11.281 1.00 0.00 H new ATOM 0 HD3 LYS A 64 75.517 -4.114 9.892 1.00 0.00 H new ATOM 0 HE2 LYS A 64 77.006 -6.233 9.394 1.00 0.00 H new ATOM 0 HE3 LYS A 64 75.958 -7.067 10.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 74.926 -7.354 8.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 74.051 -6.069 9.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 75.227 -5.760 7.964 1.00 0.00 H new ATOM 986 N ASP A 65 74.766 -1.286 13.794 1.00 0.00 N ATOM 987 CA ASP A 65 74.345 -0.509 14.977 1.00 0.00 C ATOM 988 C ASP A 65 73.762 -1.441 16.053 1.00 0.00 C ATOM 989 O ASP A 65 73.013 -1.002 16.930 1.00 0.00 O ATOM 990 CB ASP A 65 73.268 0.516 14.582 1.00 0.00 C ATOM 991 CG ASP A 65 73.472 0.991 13.121 1.00 0.00 C ATOM 992 OD1 ASP A 65 74.565 1.470 12.866 1.00 0.00 O ATOM 993 OD2 ASP A 65 72.560 0.902 12.286 1.00 0.00 O ATOM 0 H ASP A 65 74.019 -1.859 13.402 1.00 0.00 H new ATOM 0 HA ASP A 65 75.221 0.005 15.372 1.00 0.00 H new ATOM 0 HB2 ASP A 65 72.279 0.071 14.690 1.00 0.00 H new ATOM 0 HB3 ASP A 65 73.308 1.371 15.257 1.00 0.00 H new ATOM 998 N LEU A 66 74.094 -2.733 15.985 1.00 0.00 N ATOM 999 CA LEU A 66 73.569 -3.725 16.946 1.00 0.00 C ATOM 1000 C LEU A 66 74.050 -3.474 18.398 1.00 0.00 C ATOM 1001 O LEU A 66 73.766 -4.272 19.295 1.00 0.00 O ATOM 1002 CB LEU A 66 73.995 -5.160 16.512 1.00 0.00 C ATOM 1003 CG LEU A 66 73.290 -5.614 15.195 1.00 0.00 C ATOM 1004 CD1 LEU A 66 74.164 -6.642 14.453 1.00 0.00 C ATOM 1005 CD2 LEU A 66 71.942 -6.310 15.485 1.00 0.00 C ATOM 0 H LEU A 66 74.721 -3.122 15.280 1.00 0.00 H new ATOM 0 HA LEU A 66 72.484 -3.624 16.937 1.00 0.00 H new ATOM 0 HB2 LEU A 66 75.076 -5.189 16.372 1.00 0.00 H new ATOM 0 HB3 LEU A 66 73.758 -5.864 17.310 1.00 0.00 H new ATOM 0 HG LEU A 66 73.131 -4.716 14.598 1.00 0.00 H new ATOM 0 HD11 LEU A 66 73.662 -6.952 13.536 1.00 0.00 H new ATOM 0 HD12 LEU A 66 75.125 -6.192 14.206 1.00 0.00 H new ATOM 0 HD13 LEU A 66 74.324 -7.512 15.091 1.00 0.00 H new ATOM 0 HD21 LEU A 66 71.479 -6.613 14.546 1.00 0.00 H new ATOM 0 HD22 LEU A 66 72.113 -7.190 16.105 1.00 0.00 H new ATOM 0 HD23 LEU A 66 71.281 -5.619 16.009 1.00 0.00 H new ATOM 1017 N ALA A 67 74.755 -2.372 18.646 1.00 0.00 N ATOM 1018 CA ALA A 67 75.224 -2.074 19.989 1.00 0.00 C ATOM 1019 C ALA A 67 74.047 -1.849 20.929 1.00 0.00 C ATOM 1020 O ALA A 67 74.069 -2.309 22.072 1.00 0.00 O ATOM 1021 CB ALA A 67 76.103 -0.823 19.966 1.00 0.00 C ATOM 0 H ALA A 67 75.010 -1.680 17.941 1.00 0.00 H new ATOM 0 HA ALA A 67 75.805 -2.923 20.348 1.00 0.00 H new ATOM 0 HB1 ALA A 67 76.452 -0.605 20.975 1.00 0.00 H new ATOM 0 HB2 ALA A 67 76.960 -0.993 19.315 1.00 0.00 H new ATOM 0 HB3 ALA A 67 75.524 0.021 19.591 1.00 0.00 H new ATOM 1027 N ILE A 68 73.027 -1.136 20.437 1.00 0.00 N ATOM 1028 CA ILE A 68 71.847 -0.847 21.253 1.00 0.00 C ATOM 1029 C ILE A 68 71.000 -2.112 21.499 1.00 0.00 C ATOM 1030 O ILE A 68 70.979 -2.620 22.622 1.00 0.00 O ATOM 1031 CB ILE A 68 70.996 0.309 20.641 1.00 0.00 C ATOM 1032 CG1 ILE A 68 71.016 0.286 19.083 1.00 0.00 C ATOM 1033 CG2 ILE A 68 71.548 1.678 21.113 1.00 0.00 C ATOM 1034 CD1 ILE A 68 69.726 0.918 18.511 1.00 0.00 C ATOM 0 H ILE A 68 72.996 -0.754 19.492 1.00 0.00 H new ATOM 0 HA ILE A 68 72.202 -0.506 22.226 1.00 0.00 H new ATOM 0 HB ILE A 68 69.970 0.166 20.981 1.00 0.00 H new ATOM 0 HG12 ILE A 68 71.887 0.830 18.717 1.00 0.00 H new ATOM 0 HG13 ILE A 68 71.111 -0.741 18.731 1.00 0.00 H new ATOM 0 HG21 ILE A 68 70.949 2.480 20.682 1.00 0.00 H new ATOM 0 HG22 ILE A 68 71.501 1.734 22.201 1.00 0.00 H new ATOM 0 HG23 ILE A 68 72.583 1.784 20.789 1.00 0.00 H new ATOM 0 HD11 ILE A 68 69.760 0.892 17.422 1.00 0.00 H new ATOM 0 HD12 ILE A 68 68.860 0.356 18.860 1.00 0.00 H new ATOM 0 HD13 ILE A 68 69.647 1.952 18.847 1.00 0.00 H new ATOM 1046 N HIS A 69 70.336 -2.637 20.464 1.00 0.00 N ATOM 1047 CA HIS A 69 69.539 -3.857 20.626 1.00 0.00 C ATOM 1048 C HIS A 69 70.446 -5.074 20.794 1.00 0.00 C ATOM 1049 O HIS A 69 71.203 -5.422 19.888 1.00 0.00 O ATOM 1050 CB HIS A 69 68.639 -4.065 19.416 1.00 0.00 C ATOM 1051 CG HIS A 69 68.111 -5.474 19.408 1.00 0.00 C ATOM 1052 ND1 HIS A 69 67.113 -5.893 20.273 1.00 0.00 N ATOM 1053 CD2 HIS A 69 68.424 -6.566 18.633 1.00 0.00 C ATOM 1054 CE1 HIS A 69 66.867 -7.190 20.002 1.00 0.00 C ATOM 1055 NE2 HIS A 69 67.636 -7.648 19.008 1.00 0.00 N ATOM 0 H HIS A 69 70.333 -2.245 19.522 1.00 0.00 H new ATOM 0 HA HIS A 69 68.925 -3.743 21.520 1.00 0.00 H new ATOM 0 HB2 HIS A 69 67.811 -3.357 19.442 1.00 0.00 H new ATOM 0 HB3 HIS A 69 69.196 -3.871 18.500 1.00 0.00 H new ATOM 0 HD2 HIS A 69 69.169 -6.581 17.851 1.00 0.00 H new ATOM 0 HE1 HIS A 69 66.136 -7.788 20.525 1.00 0.00 H new ATOM 0 HE2 HIS A 69 67.643 -8.588 18.611 1.00 0.00 H new ATOM 1063 N HIS A 70 70.347 -5.714 21.962 1.00 0.00 N ATOM 1064 CA HIS A 70 71.147 -6.901 22.270 1.00 0.00 C ATOM 1065 C HIS A 70 70.536 -8.143 21.626 1.00 0.00 C ATOM 1066 O HIS A 70 69.323 -8.345 21.684 1.00 0.00 O ATOM 1067 CB HIS A 70 71.207 -7.103 23.785 1.00 0.00 C ATOM 1068 CG HIS A 70 71.928 -5.949 24.424 1.00 0.00 C ATOM 1069 ND1 HIS A 70 73.314 -5.851 24.429 1.00 0.00 N ATOM 1070 CD2 HIS A 70 71.475 -4.843 25.094 1.00 0.00 C ATOM 1071 CE1 HIS A 70 73.635 -4.714 25.078 1.00 0.00 C ATOM 1072 NE2 HIS A 70 72.551 -4.065 25.503 1.00 0.00 N ATOM 0 H HIS A 70 69.718 -5.428 22.712 1.00 0.00 H new ATOM 0 HA HIS A 70 72.151 -6.752 21.873 1.00 0.00 H new ATOM 0 HB2 HIS A 70 70.198 -7.183 24.191 1.00 0.00 H new ATOM 0 HB3 HIS A 70 71.719 -8.037 24.017 1.00 0.00 H new ATOM 0 HD2 HIS A 70 70.436 -4.611 25.277 1.00 0.00 H new ATOM 0 HE1 HIS A 70 74.647 -4.371 25.235 1.00 0.00 H new ATOM 0 HE2 HIS A 70 72.518 -3.185 26.018 1.00 0.00 H new