USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 458 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 58 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 62 ASN : amide:sc= -1.47 K(o=-1.5,f=-0.71) USER MOD Set 2.1: A 42 GLN : amide:sc= -13.6! C(o=-15!,f=-14!) USER MOD Set 2.2: A 53 LYS NZ :NH3+ -145:sc= -1.7 (180deg=-2.85!) USER MOD Set 2.3: A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 29 SER OG : rot -28:sc= -1.09! USER MOD Set 3.2: A 70 ASN : amide:sc= -11.4! C(o=-12!,f=-17!) USER MOD Set 4.1: A 24 GLN : amide:sc= -0.906 K(o=-1.3,f=0.55) USER MOD Set 4.2: A 28 TYR OH : rot 30:sc= -0.416 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.176) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 159:sc= -1.69 (180deg=-2.34!) USER MOD Single : A 33 ASN : amide:sc= -3.65! C(o=-3.7!,f=-2.5!) USER MOD Single : A 37 SER OG : rot 180:sc=-0.00241 USER MOD Single : A 40 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.153) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -8.49! C(o=-8.5!,f=-6.5!) USER MOD Single : A 55 TYR OH : rot 1:sc= 1.19 USER MOD Single : A 59 HIS : no HD1:sc= -3.55 K(o=-3.5,f=-9.4!) USER MOD Single : A 61 LYS NZ :NH3+ 148:sc= -0.125 (180deg=-0.835) USER MOD Single : A 66 ASN : amide:sc= 0.416 K(o=0.42,f=-4.1!) USER MOD Single : A 68 LYS NZ :NH3+ 162:sc= 1.15 (180deg=0.986) USER MOD ----------------------------------------------------------------- ATOM 200 N GLY A 13 9.680 9.640 -3.296 1.00 0.00 N ATOM 201 CA GLY A 13 10.573 8.582 -2.837 1.00 0.00 C ATOM 202 C GLY A 13 9.867 7.687 -1.838 1.00 0.00 C ATOM 203 O GLY A 13 8.738 7.269 -2.061 1.00 0.00 O ATOM 0 HA2 GLY A 13 10.913 7.991 -3.687 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.460 9.020 -2.379 1.00 0.00 H new ATOM 207 N LYS A 14 10.530 7.393 -0.735 1.00 0.00 N ATOM 208 CA LYS A 14 9.931 6.541 0.274 1.00 0.00 C ATOM 209 C LYS A 14 8.623 7.149 0.772 1.00 0.00 C ATOM 210 O LYS A 14 7.750 6.440 1.251 1.00 0.00 O ATOM 211 CB LYS A 14 10.894 6.353 1.447 1.00 0.00 C ATOM 212 CG LYS A 14 11.061 7.678 2.192 1.00 0.00 C ATOM 213 CD LYS A 14 12.121 7.524 3.285 1.00 0.00 C ATOM 214 CE LYS A 14 11.587 6.617 4.397 1.00 0.00 C ATOM 215 NZ LYS A 14 12.593 6.531 5.493 1.00 0.00 N ATOM 0 H LYS A 14 11.469 7.726 -0.517 1.00 0.00 H new ATOM 0 HA LYS A 14 9.722 5.569 -0.174 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.513 5.589 2.125 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.861 6.004 1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.354 8.464 1.496 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.111 7.981 2.633 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.033 7.101 2.864 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.382 8.501 3.693 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.646 7.011 4.782 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.378 5.623 4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.231 5.915 6.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.480 6.137 5.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.771 7.481 5.876 1.00 0.00 H new ATOM 229 N ALA A 15 8.489 8.466 0.652 1.00 0.00 N ATOM 230 CA ALA A 15 7.268 9.131 1.098 1.00 0.00 C ATOM 231 C ALA A 15 6.130 8.927 0.087 1.00 0.00 C ATOM 232 O ALA A 15 5.107 8.347 0.408 1.00 0.00 O ATOM 233 CB ALA A 15 7.537 10.629 1.284 1.00 0.00 C ATOM 0 H ALA A 15 9.197 9.086 0.257 1.00 0.00 H new ATOM 0 HA ALA A 15 6.963 8.693 2.048 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.625 11.124 1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.319 10.768 2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.859 11.061 0.337 1.00 0.00 H new ATOM 239 N ALA A 16 6.332 9.399 -1.131 1.00 0.00 N ATOM 240 CA ALA A 16 5.325 9.263 -2.184 1.00 0.00 C ATOM 241 C ALA A 16 5.061 7.800 -2.487 1.00 0.00 C ATOM 242 O ALA A 16 3.921 7.390 -2.699 1.00 0.00 O ATOM 243 CB ALA A 16 5.802 9.966 -3.455 1.00 0.00 C ATOM 0 H ALA A 16 7.183 9.881 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 16 4.401 9.723 -1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.047 9.860 -4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.963 11.024 -3.247 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.736 9.516 -3.791 1.00 0.00 H new ATOM 249 N VAL A 17 6.130 7.026 -2.523 1.00 0.00 N ATOM 250 CA VAL A 17 5.973 5.617 -2.825 1.00 0.00 C ATOM 251 C VAL A 17 5.054 5.001 -1.789 1.00 0.00 C ATOM 252 O VAL A 17 4.067 4.368 -2.124 1.00 0.00 O ATOM 253 CB VAL A 17 7.311 4.908 -2.808 1.00 0.00 C ATOM 254 CG1 VAL A 17 7.061 3.411 -2.883 1.00 0.00 C ATOM 255 CG2 VAL A 17 8.137 5.348 -4.017 1.00 0.00 C ATOM 0 H VAL A 17 7.087 7.336 -2.353 1.00 0.00 H new ATOM 0 HA VAL A 17 5.547 5.509 -3.823 1.00 0.00 H new ATOM 0 HB VAL A 17 7.855 5.154 -1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.014 2.882 -2.872 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.463 3.099 -2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.527 3.177 -3.804 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.100 4.838 -4.005 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.604 5.095 -4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.297 6.425 -3.976 1.00 0.00 H new ATOM 265 N VAL A 18 5.366 5.192 -0.529 1.00 0.00 N ATOM 266 CA VAL A 18 4.527 4.649 0.516 1.00 0.00 C ATOM 267 C VAL A 18 3.131 5.204 0.382 1.00 0.00 C ATOM 268 O VAL A 18 2.152 4.517 0.610 1.00 0.00 O ATOM 269 CB VAL A 18 5.075 5.016 1.890 1.00 0.00 C ATOM 270 CG1 VAL A 18 4.028 4.682 2.964 1.00 0.00 C ATOM 271 CG2 VAL A 18 6.358 4.215 2.153 1.00 0.00 C ATOM 0 H VAL A 18 6.182 5.711 -0.204 1.00 0.00 H new ATOM 0 HA VAL A 18 4.511 3.564 0.417 1.00 0.00 H new ATOM 0 HB VAL A 18 5.298 6.082 1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.419 4.944 3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.117 5.249 2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.804 3.616 2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.754 4.474 3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.134 3.149 2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.098 4.453 1.389 1.00 0.00 H new ATOM 281 N LYS A 19 3.056 6.461 0.034 1.00 0.00 N ATOM 282 CA LYS A 19 1.776 7.114 -0.106 1.00 0.00 C ATOM 283 C LYS A 19 0.927 6.443 -1.175 1.00 0.00 C ATOM 284 O LYS A 19 -0.277 6.314 -1.001 1.00 0.00 O ATOM 285 CB LYS A 19 1.977 8.595 -0.433 1.00 0.00 C ATOM 286 CG LYS A 19 1.970 9.444 0.858 1.00 0.00 C ATOM 287 CD LYS A 19 2.666 8.702 2.014 1.00 0.00 C ATOM 288 CE LYS A 19 3.347 9.715 2.935 1.00 0.00 C ATOM 289 NZ LYS A 19 2.328 10.658 3.476 1.00 0.00 N ATOM 0 H LYS A 19 3.863 7.055 -0.158 1.00 0.00 H new ATOM 0 HA LYS A 19 1.244 7.028 0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.922 8.732 -0.959 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.187 8.935 -1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.474 10.393 0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.943 9.677 1.138 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.938 8.117 2.575 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.402 8.001 1.620 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.850 9.199 3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.112 10.265 2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.723 11.165 4.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.063 11.343 2.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.485 10.126 3.773 1.00 0.00 H new ATOM 303 N VAL A 20 1.532 6.002 -2.278 1.00 0.00 N ATOM 304 CA VAL A 20 0.733 5.348 -3.304 1.00 0.00 C ATOM 305 C VAL A 20 0.301 3.962 -2.855 1.00 0.00 C ATOM 306 O VAL A 20 -0.697 3.438 -3.354 1.00 0.00 O ATOM 307 CB VAL A 20 1.432 5.294 -4.667 1.00 0.00 C ATOM 308 CG1 VAL A 20 1.477 6.703 -5.248 1.00 0.00 C ATOM 309 CG2 VAL A 20 2.848 4.760 -4.530 1.00 0.00 C ATOM 0 H VAL A 20 2.529 6.082 -2.477 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.157 5.963 -3.441 1.00 0.00 H new ATOM 0 HB VAL A 20 0.876 4.626 -5.325 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.972 6.681 -6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.461 7.080 -5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.030 7.357 -4.574 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.323 4.731 -5.511 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.420 5.411 -3.869 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.819 3.754 -4.112 1.00 0.00 H new ATOM 319 N VAL A 21 1.013 3.366 -1.890 1.00 0.00 N ATOM 320 CA VAL A 21 0.594 2.057 -1.412 1.00 0.00 C ATOM 321 C VAL A 21 -0.485 2.240 -0.339 1.00 0.00 C ATOM 322 O VAL A 21 -1.519 1.574 -0.390 1.00 0.00 O ATOM 323 CB VAL A 21 1.782 1.204 -0.888 1.00 0.00 C ATOM 324 CG1 VAL A 21 3.086 1.651 -1.555 1.00 0.00 C ATOM 325 CG2 VAL A 21 1.918 1.308 0.639 1.00 0.00 C ATOM 0 H VAL A 21 1.845 3.754 -1.445 1.00 0.00 H new ATOM 0 HA VAL A 21 0.181 1.500 -2.253 1.00 0.00 H new ATOM 0 HB VAL A 21 1.581 0.163 -1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.912 1.047 -1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.004 1.525 -2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.271 2.700 -1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.759 0.699 0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.089 2.347 0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.002 0.951 1.111 1.00 0.00 H new ATOM 335 N GLU A 22 -0.268 3.164 0.622 1.00 0.00 N ATOM 336 CA GLU A 22 -1.286 3.390 1.639 1.00 0.00 C ATOM 337 C GLU A 22 -2.512 3.921 0.985 1.00 0.00 C ATOM 338 O GLU A 22 -3.598 3.454 1.253 1.00 0.00 O ATOM 339 CB GLU A 22 -0.809 4.406 2.677 1.00 0.00 C ATOM 340 CG GLU A 22 0.300 3.804 3.527 1.00 0.00 C ATOM 341 CD GLU A 22 0.843 4.863 4.482 1.00 0.00 C ATOM 342 OE1 GLU A 22 0.522 6.024 4.291 1.00 0.00 O ATOM 343 OE2 GLU A 22 1.561 4.497 5.396 1.00 0.00 O ATOM 0 H GLU A 22 0.571 3.738 0.705 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.490 2.444 2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.448 5.305 2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.642 4.707 3.312 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.081 2.952 4.091 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.100 3.431 2.888 1.00 0.00 H new ATOM 350 N SER A 23 -2.354 4.948 0.173 1.00 0.00 N ATOM 351 CA SER A 23 -3.487 5.568 -0.454 1.00 0.00 C ATOM 352 C SER A 23 -4.261 4.626 -1.371 1.00 0.00 C ATOM 353 O SER A 23 -5.491 4.634 -1.356 1.00 0.00 O ATOM 354 CB SER A 23 -3.043 6.794 -1.250 1.00 0.00 C ATOM 355 OG SER A 23 -4.178 7.393 -1.860 1.00 0.00 O ATOM 0 H SER A 23 -1.453 5.364 -0.062 1.00 0.00 H new ATOM 0 HA SER A 23 -4.160 5.858 0.352 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.549 7.509 -0.593 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.317 6.505 -2.010 1.00 0.00 H new ATOM 0 HG SER A 23 -3.897 8.181 -2.370 1.00 0.00 H new ATOM 361 N GLN A 24 -3.570 3.817 -2.188 1.00 0.00 N ATOM 362 CA GLN A 24 -4.303 2.932 -3.081 1.00 0.00 C ATOM 363 C GLN A 24 -5.025 1.877 -2.265 1.00 0.00 C ATOM 364 O GLN A 24 -6.107 1.417 -2.625 1.00 0.00 O ATOM 365 CB GLN A 24 -3.369 2.258 -4.101 1.00 0.00 C ATOM 366 CG GLN A 24 -2.538 1.154 -3.434 1.00 0.00 C ATOM 367 CD GLN A 24 -1.681 0.452 -4.484 1.00 0.00 C ATOM 368 OE1 GLN A 24 -0.616 0.946 -4.853 1.00 0.00 O ATOM 369 NE2 GLN A 24 -2.100 -0.678 -5.000 1.00 0.00 N ATOM 0 H GLN A 24 -2.553 3.762 -2.244 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.025 3.530 -3.637 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.957 1.835 -4.915 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.706 3.003 -4.541 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.903 1.582 -2.658 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.196 0.434 -2.947 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.983 -1.083 -4.691 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.543 -1.152 -5.711 1.00 0.00 H new ATOM 378 N ALA A 25 -4.414 1.522 -1.150 1.00 0.00 N ATOM 379 CA ALA A 25 -4.981 0.545 -0.249 1.00 0.00 C ATOM 380 C ALA A 25 -6.074 1.147 0.604 1.00 0.00 C ATOM 381 O ALA A 25 -7.022 0.475 0.992 1.00 0.00 O ATOM 382 CB ALA A 25 -3.899 -0.032 0.602 1.00 0.00 C ATOM 0 H ALA A 25 -3.517 1.902 -0.848 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.437 -0.250 -0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.325 -0.769 1.282 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.154 -0.512 -0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.427 0.763 1.179 1.00 0.00 H new ATOM 388 N GLU A 26 -5.948 2.417 0.882 1.00 0.00 N ATOM 389 CA GLU A 26 -6.940 3.083 1.665 1.00 0.00 C ATOM 390 C GLU A 26 -8.248 2.888 0.985 1.00 0.00 C ATOM 391 O GLU A 26 -9.237 2.528 1.614 1.00 0.00 O ATOM 392 CB GLU A 26 -6.597 4.561 1.800 1.00 0.00 C ATOM 393 CG GLU A 26 -7.887 5.395 1.736 1.00 0.00 C ATOM 394 CD GLU A 26 -7.564 6.873 1.918 1.00 0.00 C ATOM 395 OE1 GLU A 26 -7.212 7.251 3.024 1.00 0.00 O ATOM 396 OE2 GLU A 26 -7.672 7.608 0.950 1.00 0.00 O ATOM 0 H GLU A 26 -5.171 3.004 0.578 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.984 2.673 2.674 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.082 4.741 2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.917 4.862 1.003 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.383 5.238 0.778 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.580 5.068 2.511 1.00 0.00 H new ATOM 403 N LEU A 27 -8.251 3.063 -0.321 1.00 0.00 N ATOM 404 CA LEU A 27 -9.452 2.824 -1.037 1.00 0.00 C ATOM 405 C LEU A 27 -9.727 1.411 -1.038 1.00 0.00 C ATOM 406 O LEU A 27 -10.851 1.044 -1.082 1.00 0.00 O ATOM 407 CB LEU A 27 -9.445 3.235 -2.457 1.00 0.00 C ATOM 408 CG LEU A 27 -9.330 4.754 -2.586 1.00 0.00 C ATOM 409 CD1 LEU A 27 -9.169 5.131 -4.060 1.00 0.00 C ATOM 410 CD2 LEU A 27 -10.586 5.415 -2.029 1.00 0.00 C ATOM 0 H LEU A 27 -7.452 3.361 -0.880 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.198 3.429 -0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.612 2.758 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.359 2.893 -2.943 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.461 5.097 -2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.087 6.214 -4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.269 4.664 -4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.037 4.784 -4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.500 6.498 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.457 5.071 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.701 5.150 -0.978 1.00 0.00 H new ATOM 422 N TYR A 28 -8.714 0.584 -1.027 1.00 0.00 N ATOM 423 CA TYR A 28 -9.021 -0.790 -1.063 1.00 0.00 C ATOM 424 C TYR A 28 -10.029 -1.036 0.047 1.00 0.00 C ATOM 425 O TYR A 28 -11.126 -1.546 -0.172 1.00 0.00 O ATOM 426 CB TYR A 28 -7.786 -1.668 -0.889 1.00 0.00 C ATOM 427 CG TYR A 28 -6.938 -1.720 -2.167 1.00 0.00 C ATOM 428 CD1 TYR A 28 -7.323 -1.032 -3.332 1.00 0.00 C ATOM 429 CD2 TYR A 28 -5.751 -2.463 -2.170 1.00 0.00 C ATOM 430 CE1 TYR A 28 -6.527 -1.093 -4.482 1.00 0.00 C ATOM 431 CE2 TYR A 28 -4.958 -2.522 -3.323 1.00 0.00 C ATOM 432 CZ TYR A 28 -5.345 -1.837 -4.477 1.00 0.00 C ATOM 433 OH TYR A 28 -4.562 -1.895 -5.611 1.00 0.00 O ATOM 0 H TYR A 28 -7.726 0.834 -0.995 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.429 -1.057 -2.038 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.181 -1.285 -0.067 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.093 -2.677 -0.616 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.236 -0.455 -3.339 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.446 -2.993 -1.280 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.827 -0.564 -5.374 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.045 -3.099 -3.320 1.00 0.00 H new ATOM 0 HH TYR A 28 -4.663 -1.064 -6.121 1.00 0.00 H new ATOM 443 N SER A 29 -9.715 -0.501 1.178 1.00 0.00 N ATOM 444 CA SER A 29 -10.610 -0.508 2.314 1.00 0.00 C ATOM 445 C SER A 29 -11.965 0.054 1.890 1.00 0.00 C ATOM 446 O SER A 29 -13.006 -0.544 2.150 1.00 0.00 O ATOM 447 CB SER A 29 -10.022 0.405 3.382 1.00 0.00 C ATOM 448 OG SER A 29 -8.604 0.373 3.286 1.00 0.00 O ATOM 0 H SER A 29 -8.823 -0.038 1.354 1.00 0.00 H new ATOM 0 HA SER A 29 -10.733 -1.523 2.692 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.386 1.424 3.249 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.340 0.080 4.373 1.00 0.00 H new ATOM 0 HG SER A 29 -8.320 -0.493 2.925 1.00 0.00 H new ATOM 454 N LEU A 30 -11.934 1.215 1.216 1.00 0.00 N ATOM 455 CA LEU A 30 -13.162 1.843 0.741 1.00 0.00 C ATOM 456 C LEU A 30 -13.886 0.881 -0.184 1.00 0.00 C ATOM 457 O LEU A 30 -14.892 0.278 0.188 1.00 0.00 O ATOM 458 CB LEU A 30 -12.840 3.146 0.001 1.00 0.00 C ATOM 459 CG LEU A 30 -14.137 3.751 -0.564 1.00 0.00 C ATOM 460 CD1 LEU A 30 -15.093 4.075 0.589 1.00 0.00 C ATOM 461 CD2 LEU A 30 -13.818 5.040 -1.344 1.00 0.00 C ATOM 0 H LEU A 30 -11.080 1.727 0.993 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.800 2.081 1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -12.362 3.853 0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.134 2.953 -0.807 1.00 0.00 H new ATOM 0 HG LEU A 30 -14.605 3.032 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -16.012 4.504 0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.326 3.161 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.621 4.791 1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.741 5.463 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.346 5.761 -0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.141 4.809 -2.167 1.00 0.00 H new ATOM 473 N GLU A 31 -13.332 0.706 -1.369 1.00 0.00 N ATOM 474 CA GLU A 31 -13.881 -0.220 -2.316 1.00 0.00 C ATOM 475 C GLU A 31 -13.711 -1.654 -1.734 1.00 0.00 C ATOM 476 O GLU A 31 -14.467 -2.020 -0.867 1.00 0.00 O ATOM 477 CB GLU A 31 -13.203 -0.058 -3.699 1.00 0.00 C ATOM 478 CG GLU A 31 -11.706 0.195 -3.550 1.00 0.00 C ATOM 479 CD GLU A 31 -10.980 -0.153 -4.843 1.00 0.00 C ATOM 480 OE1 GLU A 31 -11.519 0.142 -5.899 1.00 0.00 O ATOM 481 OE2 GLU A 31 -9.898 -0.708 -4.763 1.00 0.00 O ATOM 0 H GLU A 31 -12.499 1.199 -1.691 1.00 0.00 H new ATOM 0 HA GLU A 31 -14.941 -0.025 -2.477 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.366 -0.956 -4.295 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -13.663 0.770 -4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.530 1.240 -3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.309 -0.403 -2.730 1.00 0.00 H new ATOM 488 N LYS A 32 -12.646 -2.381 -2.168 1.00 0.00 N ATOM 489 CA LYS A 32 -12.212 -3.737 -1.636 1.00 0.00 C ATOM 490 C LYS A 32 -12.863 -4.159 -0.280 1.00 0.00 C ATOM 491 O LYS A 32 -13.027 -5.351 -0.017 1.00 0.00 O ATOM 492 CB LYS A 32 -10.667 -3.837 -1.554 1.00 0.00 C ATOM 493 CG LYS A 32 -10.038 -3.336 -2.867 1.00 0.00 C ATOM 494 CD LYS A 32 -9.551 -4.518 -3.687 1.00 0.00 C ATOM 495 CE LYS A 32 -8.294 -5.078 -3.031 1.00 0.00 C ATOM 496 NZ LYS A 32 -7.358 -5.561 -4.080 1.00 0.00 N ATOM 0 H LYS A 32 -12.039 -2.047 -2.916 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.589 -4.452 -2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.300 -3.245 -0.716 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.370 -4.869 -1.369 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.770 -2.763 -3.436 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.207 -2.665 -2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.324 -5.285 -3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.338 -4.207 -4.710 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.813 -4.309 -2.427 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.556 -5.895 -2.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.395 -5.607 -3.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.649 -6.508 -4.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.374 -4.906 -4.888 1.00 0.00 H new ATOM 510 N ASN A 33 -13.167 -3.156 0.575 1.00 0.00 N ATOM 511 CA ASN A 33 -13.738 -3.345 1.925 1.00 0.00 C ATOM 512 C ASN A 33 -12.641 -3.576 2.966 1.00 0.00 C ATOM 513 O ASN A 33 -12.549 -2.828 3.940 1.00 0.00 O ATOM 514 CB ASN A 33 -14.716 -4.530 1.968 1.00 0.00 C ATOM 515 CG ASN A 33 -15.621 -4.537 0.740 1.00 0.00 C ATOM 516 OD1 ASN A 33 -15.833 -5.586 0.134 1.00 0.00 O ATOM 517 ND2 ASN A 33 -16.141 -3.423 0.317 1.00 0.00 N ATOM 0 H ASN A 33 -13.019 -2.175 0.340 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.277 -2.428 2.162 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -14.158 -5.465 2.018 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.323 -4.472 2.871 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.726 -3.418 -0.519 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -15.964 -2.554 0.821 1.00 0.00 H new ATOM 524 N GLU A 34 -11.822 -4.591 2.781 1.00 0.00 N ATOM 525 CA GLU A 34 -10.766 -4.868 3.735 1.00 0.00 C ATOM 526 C GLU A 34 -9.668 -5.686 3.076 1.00 0.00 C ATOM 527 O GLU A 34 -9.336 -6.782 3.529 1.00 0.00 O ATOM 528 CB GLU A 34 -11.337 -5.629 4.935 1.00 0.00 C ATOM 529 CG GLU A 34 -10.301 -5.674 6.058 1.00 0.00 C ATOM 530 CD GLU A 34 -10.884 -6.377 7.277 1.00 0.00 C ATOM 531 OE1 GLU A 34 -12.028 -6.791 7.206 1.00 0.00 O ATOM 532 OE2 GLU A 34 -10.178 -6.491 8.265 1.00 0.00 O ATOM 0 H GLU A 34 -11.865 -5.232 1.989 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.343 -3.924 4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.247 -5.143 5.286 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.610 -6.642 4.639 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.407 -6.198 5.719 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.996 -4.662 6.323 1.00 0.00 H new ATOM 539 N ASP A 35 -9.100 -5.146 2.008 1.00 0.00 N ATOM 540 CA ASP A 35 -8.033 -5.834 1.306 1.00 0.00 C ATOM 541 C ASP A 35 -6.864 -6.024 2.236 1.00 0.00 C ATOM 542 O ASP A 35 -6.230 -7.074 2.229 1.00 0.00 O ATOM 543 CB ASP A 35 -7.584 -5.034 0.116 1.00 0.00 C ATOM 544 CG ASP A 35 -6.525 -5.823 -0.653 1.00 0.00 C ATOM 545 OD1 ASP A 35 -6.268 -6.951 -0.271 1.00 0.00 O ATOM 546 OD2 ASP A 35 -5.979 -5.289 -1.597 1.00 0.00 O ATOM 0 H ASP A 35 -9.359 -4.242 1.613 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.406 -6.800 0.966 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.433 -4.816 -0.532 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.176 -4.076 0.440 1.00 0.00 H new ATOM 551 N ALA A 36 -6.586 -4.969 3.018 1.00 0.00 N ATOM 552 CA ALA A 36 -5.467 -4.909 3.960 1.00 0.00 C ATOM 553 C ALA A 36 -4.311 -5.798 3.661 1.00 0.00 C ATOM 554 O ALA A 36 -4.172 -6.301 2.572 1.00 0.00 O ATOM 555 CB ALA A 36 -6.081 -5.209 5.284 1.00 0.00 C ATOM 0 H ALA A 36 -7.148 -4.118 3.010 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.999 -3.926 3.908 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.311 -5.186 6.056 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.843 -4.463 5.509 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.538 -6.198 5.257 1.00 0.00 H new ATOM 561 N SER A 37 -3.398 -5.792 4.609 1.00 0.00 N ATOM 562 CA SER A 37 -2.099 -6.400 4.486 1.00 0.00 C ATOM 563 C SER A 37 -1.529 -6.308 3.064 1.00 0.00 C ATOM 564 O SER A 37 -2.145 -6.699 2.081 1.00 0.00 O ATOM 565 CB SER A 37 -2.195 -7.857 4.901 1.00 0.00 C ATOM 566 OG SER A 37 -3.511 -8.129 5.368 1.00 0.00 O ATOM 0 H SER A 37 -3.549 -5.348 5.515 1.00 0.00 H new ATOM 0 HA SER A 37 -1.418 -5.852 5.137 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.956 -8.504 4.057 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.468 -8.072 5.684 1.00 0.00 H new ATOM 0 HG SER A 37 -3.576 -9.070 5.635 1.00 0.00 H new ATOM 572 N LEU A 38 -0.269 -5.848 2.999 1.00 0.00 N ATOM 573 CA LEU A 38 0.422 -5.770 1.738 1.00 0.00 C ATOM 574 C LEU A 38 0.344 -7.116 1.191 1.00 0.00 C ATOM 575 O LEU A 38 0.129 -7.320 0.036 1.00 0.00 O ATOM 576 CB LEU A 38 1.894 -5.510 1.952 1.00 0.00 C ATOM 577 CG LEU A 38 2.075 -4.173 2.563 1.00 0.00 C ATOM 578 CD1 LEU A 38 3.521 -4.010 2.985 1.00 0.00 C ATOM 579 CD2 LEU A 38 1.694 -3.113 1.559 1.00 0.00 C ATOM 0 H LEU A 38 0.272 -5.532 3.804 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.007 -4.986 1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.320 -6.278 2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.425 -5.562 1.002 1.00 0.00 H new ATOM 0 HG LEU A 38 1.438 -4.071 3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.660 -3.027 3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.777 -4.782 3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.167 -4.104 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.825 -2.127 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.329 -3.201 0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.651 -3.244 1.269 1.00 0.00 H new ATOM 591 N ARG A 39 0.543 -8.032 2.096 1.00 0.00 N ATOM 592 CA ARG A 39 0.525 -9.429 1.807 1.00 0.00 C ATOM 593 C ARG A 39 -0.501 -9.688 0.752 1.00 0.00 C ATOM 594 O ARG A 39 -0.263 -10.446 -0.173 1.00 0.00 O ATOM 595 CB ARG A 39 0.226 -10.189 3.099 1.00 0.00 C ATOM 596 CG ARG A 39 0.871 -9.410 4.266 1.00 0.00 C ATOM 597 CD ARG A 39 1.176 -10.314 5.448 1.00 0.00 C ATOM 598 NE ARG A 39 -0.055 -10.706 6.126 1.00 0.00 N ATOM 599 CZ ARG A 39 -0.041 -11.502 7.197 1.00 0.00 C ATOM 600 NH1 ARG A 39 1.091 -11.958 7.675 1.00 0.00 N ATOM 601 NH2 ARG A 39 -1.164 -11.831 7.773 1.00 0.00 N ATOM 0 H ARG A 39 0.726 -7.818 3.076 1.00 0.00 H new ATOM 0 HA ARG A 39 1.488 -9.771 1.428 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.850 -10.279 3.249 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.627 -11.201 3.048 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.791 -8.938 3.923 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.201 -8.610 4.583 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.708 -11.202 5.106 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.834 -9.798 6.147 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.948 -10.363 5.773 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.972 -11.705 7.228 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.091 -12.566 8.494 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.048 -11.480 7.405 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.158 -12.439 8.592 1.00 0.00 H new ATOM 615 N LYS A 40 -1.652 -9.070 0.917 1.00 0.00 N ATOM 616 CA LYS A 40 -2.743 -9.239 -0.005 1.00 0.00 C ATOM 617 C LYS A 40 -2.635 -8.344 -1.260 1.00 0.00 C ATOM 618 O LYS A 40 -2.925 -8.792 -2.362 1.00 0.00 O ATOM 619 CB LYS A 40 -3.998 -8.948 0.713 1.00 0.00 C ATOM 620 CG LYS A 40 -4.475 -10.216 1.432 1.00 0.00 C ATOM 621 CD LYS A 40 -3.354 -10.733 2.339 1.00 0.00 C ATOM 622 CE LYS A 40 -3.908 -11.777 3.311 1.00 0.00 C ATOM 623 NZ LYS A 40 -4.437 -12.941 2.544 1.00 0.00 N ATOM 0 H LYS A 40 -1.852 -8.439 1.693 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.717 -10.267 -0.368 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.841 -8.145 1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.760 -8.604 0.013 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.366 -10.001 2.022 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.751 -10.979 0.704 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.559 -11.171 1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.913 -9.905 2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.125 -12.104 3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.699 -11.339 3.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.657 -13.718 3.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.301 -12.660 2.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.723 -13.258 1.858 1.00 0.00 H new ATOM 637 N LEU A 41 -2.217 -7.081 -1.116 1.00 0.00 N ATOM 638 CA LEU A 41 -2.097 -6.244 -2.321 1.00 0.00 C ATOM 639 C LEU A 41 -1.135 -6.967 -3.188 1.00 0.00 C ATOM 640 O LEU A 41 -1.379 -7.248 -4.351 1.00 0.00 O ATOM 641 CB LEU A 41 -1.509 -4.884 -2.032 1.00 0.00 C ATOM 642 CG LEU A 41 -2.010 -4.380 -0.704 1.00 0.00 C ATOM 643 CD1 LEU A 41 -1.544 -2.941 -0.513 1.00 0.00 C ATOM 644 CD2 LEU A 41 -3.540 -4.462 -0.647 1.00 0.00 C ATOM 0 H LEU A 41 -1.969 -6.633 -0.234 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.082 -6.084 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.421 -4.944 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.782 -4.185 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.609 -5.000 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.902 -2.567 0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.455 -2.906 -0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.942 -2.320 -1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.888 -4.095 0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.967 -3.852 -1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.854 -5.498 -0.776 1.00 0.00 H new ATOM 656 N GLN A 42 -0.045 -7.288 -2.544 1.00 0.00 N ATOM 657 CA GLN A 42 1.022 -8.018 -3.103 1.00 0.00 C ATOM 658 C GLN A 42 0.518 -9.348 -3.550 1.00 0.00 C ATOM 659 O GLN A 42 0.967 -9.897 -4.556 1.00 0.00 O ATOM 660 CB GLN A 42 2.026 -8.263 -2.009 1.00 0.00 C ATOM 661 CG GLN A 42 2.741 -7.010 -1.653 1.00 0.00 C ATOM 662 CD GLN A 42 3.603 -7.302 -0.442 1.00 0.00 C ATOM 663 OE1 GLN A 42 4.816 -7.095 -0.454 1.00 0.00 O ATOM 664 NE2 GLN A 42 3.049 -7.855 0.575 1.00 0.00 N ATOM 0 H GLN A 42 0.114 -7.028 -1.571 1.00 0.00 H new ATOM 0 HA GLN A 42 1.457 -7.473 -3.940 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.521 -8.660 -1.129 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.744 -9.017 -2.332 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.355 -6.670 -2.487 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.031 -6.213 -1.434 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.043 -8.024 0.579 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.615 -8.126 1.380 1.00 0.00 H new ATOM 673 N ALA A 43 -0.396 -9.893 -2.759 1.00 0.00 N ATOM 674 CA ALA A 43 -0.910 -11.200 -3.077 1.00 0.00 C ATOM 675 C ALA A 43 -1.425 -11.196 -4.492 1.00 0.00 C ATOM 676 O ALA A 43 -1.177 -12.113 -5.275 1.00 0.00 O ATOM 677 CB ALA A 43 -2.073 -11.583 -2.217 1.00 0.00 C ATOM 0 H ALA A 43 -0.782 -9.460 -1.920 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.091 -11.903 -2.922 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.422 -12.577 -2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.766 -11.589 -1.171 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.880 -10.863 -2.354 1.00 0.00 H new ATOM 683 N ASP A 44 -2.153 -10.132 -4.805 1.00 0.00 N ATOM 684 CA ASP A 44 -2.726 -9.960 -6.128 1.00 0.00 C ATOM 685 C ASP A 44 -1.996 -8.855 -6.885 1.00 0.00 C ATOM 686 O ASP A 44 -2.508 -8.319 -7.866 1.00 0.00 O ATOM 687 CB ASP A 44 -4.213 -9.616 -6.012 1.00 0.00 C ATOM 688 CG ASP A 44 -4.922 -9.891 -7.337 1.00 0.00 C ATOM 689 OD1 ASP A 44 -4.353 -10.592 -8.161 1.00 0.00 O ATOM 690 OD2 ASP A 44 -6.024 -9.397 -7.508 1.00 0.00 O ATOM 0 H ASP A 44 -2.360 -9.373 -4.155 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.616 -10.894 -6.680 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.670 -10.206 -5.217 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.331 -8.568 -5.738 1.00 0.00 H new ATOM 695 N GLY A 45 -0.776 -8.546 -6.443 1.00 0.00 N ATOM 696 CA GLY A 45 0.021 -7.539 -7.119 1.00 0.00 C ATOM 697 C GLY A 45 -0.063 -6.121 -6.502 1.00 0.00 C ATOM 698 O GLY A 45 0.521 -5.856 -5.453 1.00 0.00 O ATOM 0 H GLY A 45 -0.329 -8.975 -5.632 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.063 -7.859 -7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.294 -7.486 -8.161 1.00 0.00 H new ATOM 702 N ARG A 46 -0.733 -5.211 -7.247 1.00 0.00 N ATOM 703 CA ARG A 46 -0.862 -3.766 -6.946 1.00 0.00 C ATOM 704 C ARG A 46 0.177 -3.184 -5.991 1.00 0.00 C ATOM 705 O ARG A 46 -0.149 -2.333 -5.209 1.00 0.00 O ATOM 706 CB ARG A 46 -2.252 -3.464 -6.389 1.00 0.00 C ATOM 707 CG ARG A 46 -3.285 -4.398 -7.016 1.00 0.00 C ATOM 708 CD ARG A 46 -3.487 -5.623 -6.128 1.00 0.00 C ATOM 709 NE ARG A 46 -4.915 -5.924 -6.042 1.00 0.00 N ATOM 710 CZ ARG A 46 -5.541 -6.631 -6.995 1.00 0.00 C ATOM 711 NH1 ARG A 46 -4.888 -7.061 -8.047 1.00 0.00 N ATOM 712 NH2 ARG A 46 -6.814 -6.895 -6.881 1.00 0.00 N ATOM 0 H ARG A 46 -1.216 -5.473 -8.106 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.688 -3.282 -7.907 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.252 -3.585 -5.306 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.517 -2.427 -6.594 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.231 -3.873 -7.146 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.954 -4.708 -8.007 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.947 -6.477 -6.537 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.082 -5.437 -5.133 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.448 -5.589 -5.239 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.893 -6.859 -8.148 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.375 -7.598 -8.765 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.333 -6.564 -6.068 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.290 -7.432 -7.605 1.00 0.00 H new ATOM 726 N ILE A 47 1.426 -3.631 -6.153 1.00 0.00 N ATOM 727 CA ILE A 47 2.622 -3.147 -5.389 1.00 0.00 C ATOM 728 C ILE A 47 3.678 -4.209 -5.305 1.00 0.00 C ATOM 729 O ILE A 47 4.730 -3.947 -4.753 1.00 0.00 O ATOM 730 CB ILE A 47 2.364 -2.646 -3.941 1.00 0.00 C ATOM 731 CG1 ILE A 47 1.527 -3.624 -3.142 1.00 0.00 C ATOM 732 CG2 ILE A 47 1.736 -1.247 -3.898 1.00 0.00 C ATOM 733 CD1 ILE A 47 1.328 -3.037 -1.746 1.00 0.00 C ATOM 0 H ILE A 47 1.659 -4.357 -6.831 1.00 0.00 H new ATOM 0 HA ILE A 47 2.939 -2.283 -5.973 1.00 0.00 H new ATOM 0 HB ILE A 47 3.347 -2.577 -3.476 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.565 -3.789 -3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.024 -4.592 -3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.579 -0.950 -2.861 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.403 -0.534 -4.383 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.779 -1.261 -4.420 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.727 -3.721 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.298 -2.893 -1.270 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.816 -2.078 -1.824 1.00 0.00 H new ATOM 745 N THR A 48 3.407 -5.403 -5.853 1.00 0.00 N ATOM 746 CA THR A 48 4.355 -6.523 -5.791 1.00 0.00 C ATOM 747 C THR A 48 5.207 -6.461 -4.492 1.00 0.00 C ATOM 748 O THR A 48 4.909 -5.700 -3.598 1.00 0.00 O ATOM 749 CB THR A 48 5.214 -6.485 -7.067 1.00 0.00 C ATOM 750 OG1 THR A 48 5.467 -7.813 -7.507 1.00 0.00 O ATOM 751 CG2 THR A 48 6.540 -5.770 -6.830 1.00 0.00 C ATOM 0 H THR A 48 2.539 -5.617 -6.344 1.00 0.00 H new ATOM 0 HA THR A 48 3.825 -7.475 -5.750 1.00 0.00 H new ATOM 0 HB THR A 48 4.663 -5.933 -7.828 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.013 -7.790 -8.321 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.120 -5.763 -7.753 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.349 -4.745 -6.514 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.101 -6.291 -6.054 1.00 0.00 H new ATOM 759 N GLU A 49 6.189 -7.305 -4.327 1.00 0.00 N ATOM 760 CA GLU A 49 6.929 -7.288 -3.054 1.00 0.00 C ATOM 761 C GLU A 49 8.059 -6.265 -2.992 1.00 0.00 C ATOM 762 O GLU A 49 8.756 -6.182 -1.986 1.00 0.00 O ATOM 763 CB GLU A 49 7.474 -8.681 -2.748 1.00 0.00 C ATOM 764 CG GLU A 49 6.312 -9.630 -2.454 1.00 0.00 C ATOM 765 CD GLU A 49 6.838 -11.045 -2.231 1.00 0.00 C ATOM 766 OE1 GLU A 49 8.013 -11.262 -2.468 1.00 0.00 O ATOM 767 OE2 GLU A 49 6.054 -11.888 -1.826 1.00 0.00 O ATOM 0 H GLU A 49 6.501 -7.993 -5.013 1.00 0.00 H new ATOM 0 HA GLU A 49 6.207 -6.981 -2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.054 -9.050 -3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.149 -8.639 -1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.769 -9.291 -1.571 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.606 -9.622 -3.284 1.00 0.00 H new ATOM 774 N GLU A 50 8.268 -5.530 -4.048 1.00 0.00 N ATOM 775 CA GLU A 50 9.363 -4.563 -4.065 1.00 0.00 C ATOM 776 C GLU A 50 9.046 -3.298 -3.263 1.00 0.00 C ATOM 777 O GLU A 50 9.773 -2.930 -2.332 1.00 0.00 O ATOM 778 CB GLU A 50 9.675 -4.177 -5.511 1.00 0.00 C ATOM 779 CG GLU A 50 10.860 -3.209 -5.540 1.00 0.00 C ATOM 780 CD GLU A 50 11.206 -2.850 -6.981 1.00 0.00 C ATOM 781 OE1 GLU A 50 10.540 -3.351 -7.871 1.00 0.00 O ATOM 782 OE2 GLU A 50 12.130 -2.079 -7.173 1.00 0.00 O ATOM 0 H GLU A 50 7.712 -5.570 -4.902 1.00 0.00 H new ATOM 0 HA GLU A 50 10.224 -5.040 -3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.906 -5.068 -6.094 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.802 -3.713 -5.971 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.616 -2.306 -4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.723 -3.663 -5.053 1.00 0.00 H new ATOM 789 N GLN A 51 7.965 -2.641 -3.617 1.00 0.00 N ATOM 790 CA GLN A 51 7.577 -1.436 -2.945 1.00 0.00 C ATOM 791 C GLN A 51 6.745 -1.766 -1.755 1.00 0.00 C ATOM 792 O GLN A 51 6.745 -1.035 -0.768 1.00 0.00 O ATOM 793 CB GLN A 51 6.806 -0.527 -3.887 1.00 0.00 C ATOM 794 CG GLN A 51 5.718 -1.330 -4.585 1.00 0.00 C ATOM 795 CD GLN A 51 4.628 -0.392 -5.076 1.00 0.00 C ATOM 796 OE1 GLN A 51 4.259 -0.426 -6.249 1.00 0.00 O ATOM 797 NE2 GLN A 51 4.109 0.468 -4.250 1.00 0.00 N ATOM 0 H GLN A 51 7.341 -2.928 -4.371 1.00 0.00 H new ATOM 0 HA GLN A 51 8.475 -0.912 -2.618 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.364 0.300 -3.331 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.481 -0.091 -4.623 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.141 -1.883 -5.424 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.297 -2.065 -3.899 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.418 0.492 -3.278 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.393 1.118 -4.574 1.00 0.00 H new ATOM 806 N ALA A 52 6.039 -2.878 -1.817 1.00 0.00 N ATOM 807 CA ALA A 52 5.261 -3.248 -0.716 1.00 0.00 C ATOM 808 C ALA A 52 6.186 -3.510 0.398 1.00 0.00 C ATOM 809 O ALA A 52 5.930 -3.093 1.468 1.00 0.00 O ATOM 810 CB ALA A 52 4.437 -4.441 -0.987 1.00 0.00 C ATOM 0 H ALA A 52 6.006 -3.512 -2.615 1.00 0.00 H new ATOM 0 HA ALA A 52 4.564 -2.445 -0.478 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.852 -4.688 -0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.765 -4.237 -1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.084 -5.281 -1.239 1.00 0.00 H new ATOM 816 N LYS A 53 7.333 -4.161 0.110 1.00 0.00 N ATOM 817 CA LYS A 53 8.308 -4.379 1.159 1.00 0.00 C ATOM 818 C LYS A 53 8.822 -3.076 1.640 1.00 0.00 C ATOM 819 O LYS A 53 9.171 -2.938 2.799 1.00 0.00 O ATOM 820 CB LYS A 53 9.448 -5.297 0.760 1.00 0.00 C ATOM 821 CG LYS A 53 8.981 -6.727 0.937 1.00 0.00 C ATOM 822 CD LYS A 53 10.086 -7.692 0.496 1.00 0.00 C ATOM 823 CE LYS A 53 9.747 -9.117 0.954 1.00 0.00 C ATOM 824 NZ LYS A 53 8.484 -9.578 0.308 1.00 0.00 N ATOM 0 H LYS A 53 7.586 -4.526 -0.808 1.00 0.00 H new ATOM 0 HA LYS A 53 7.790 -4.897 1.966 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.738 -5.116 -0.275 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.326 -5.104 1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.722 -6.908 1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.079 -6.900 0.350 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.193 -7.665 -0.588 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.042 -7.382 0.919 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.563 -9.793 0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.640 -9.143 2.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.955 -10.180 0.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.905 -8.754 0.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.711 -10.123 -0.548 1.00 0.00 H new ATOM 838 N ALA A 54 8.794 -2.091 0.772 1.00 0.00 N ATOM 839 CA ALA A 54 9.184 -0.792 1.209 1.00 0.00 C ATOM 840 C ALA A 54 8.217 -0.460 2.334 1.00 0.00 C ATOM 841 O ALA A 54 8.596 0.113 3.352 1.00 0.00 O ATOM 842 CB ALA A 54 9.090 0.240 0.083 1.00 0.00 C ATOM 0 H ALA A 54 8.514 -2.168 -0.206 1.00 0.00 H new ATOM 0 HA ALA A 54 10.225 -0.772 1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.396 1.217 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 54 9.745 -0.055 -0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.062 0.295 -0.275 1.00 0.00 H new ATOM 848 N TYR A 55 6.945 -0.856 2.138 1.00 0.00 N ATOM 849 CA TYR A 55 5.934 -0.617 3.159 1.00 0.00 C ATOM 850 C TYR A 55 5.947 -1.677 4.254 1.00 0.00 C ATOM 851 O TYR A 55 5.622 -1.399 5.400 1.00 0.00 O ATOM 852 CB TYR A 55 4.568 -0.564 2.572 1.00 0.00 C ATOM 853 CG TYR A 55 3.688 0.149 3.550 1.00 0.00 C ATOM 854 CD1 TYR A 55 3.837 1.525 3.727 1.00 0.00 C ATOM 855 CD2 TYR A 55 2.754 -0.553 4.296 1.00 0.00 C ATOM 856 CE1 TYR A 55 3.047 2.202 4.656 1.00 0.00 C ATOM 857 CE2 TYR A 55 1.954 0.127 5.230 1.00 0.00 C ATOM 858 CZ TYR A 55 2.105 1.503 5.409 1.00 0.00 C ATOM 859 OH TYR A 55 1.322 2.170 6.329 1.00 0.00 O ATOM 0 H TYR A 55 6.608 -1.331 1.300 1.00 0.00 H new ATOM 0 HA TYR A 55 6.186 0.347 3.600 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.581 -0.041 1.616 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.193 -1.569 2.381 1.00 0.00 H new ATOM 0 HD1 TYR A 55 4.566 2.067 3.143 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.642 -1.618 4.160 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.165 3.267 4.792 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.222 -0.415 5.810 1.00 0.00 H new ATOM 0 HH TYR A 55 1.544 3.125 6.316 1.00 0.00 H new ATOM 869 N LYS A 56 6.332 -2.880 3.920 1.00 0.00 N ATOM 870 CA LYS A 56 6.387 -3.905 4.899 1.00 0.00 C ATOM 871 C LYS A 56 7.516 -3.538 5.825 1.00 0.00 C ATOM 872 O LYS A 56 7.546 -3.951 6.981 1.00 0.00 O ATOM 873 CB LYS A 56 6.593 -5.271 4.257 1.00 0.00 C ATOM 874 CG LYS A 56 5.758 -6.300 5.021 1.00 0.00 C ATOM 875 CD LYS A 56 6.026 -7.700 4.463 1.00 0.00 C ATOM 876 CE LYS A 56 5.420 -7.820 3.064 1.00 0.00 C ATOM 877 NZ LYS A 56 5.614 -9.208 2.557 1.00 0.00 N ATOM 0 H LYS A 56 6.609 -3.162 2.980 1.00 0.00 H new ATOM 0 HA LYS A 56 5.449 -3.982 5.449 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.295 -5.245 3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.648 -5.546 4.282 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.005 -6.268 6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.698 -6.060 4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.099 -7.887 4.423 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.596 -8.454 5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.358 -7.577 3.094 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.891 -7.105 2.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.202 -9.291 1.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.631 -9.423 2.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.145 -9.880 3.197 1.00 0.00 H new ATOM 891 N GLU A 57 8.407 -2.654 5.329 1.00 0.00 N ATOM 892 CA GLU A 57 9.461 -2.135 6.139 1.00 0.00 C ATOM 893 C GLU A 57 8.913 -0.866 6.789 1.00 0.00 C ATOM 894 O GLU A 57 9.366 -0.441 7.832 1.00 0.00 O ATOM 895 CB GLU A 57 10.709 -1.810 5.315 1.00 0.00 C ATOM 896 CG GLU A 57 11.016 -0.304 5.358 1.00 0.00 C ATOM 897 CD GLU A 57 12.242 -0.004 4.504 1.00 0.00 C ATOM 898 OE1 GLU A 57 13.215 -0.731 4.623 1.00 0.00 O ATOM 899 OE2 GLU A 57 12.190 0.948 3.743 1.00 0.00 O ATOM 0 H GLU A 57 8.394 -2.303 4.371 1.00 0.00 H new ATOM 0 HA GLU A 57 9.768 -2.874 6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.561 -2.370 5.701 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.561 -2.126 4.282 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.159 0.262 4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.191 0.012 6.386 1.00 0.00 H new ATOM 906 N TYR A 58 7.868 -0.285 6.170 1.00 0.00 N ATOM 907 CA TYR A 58 7.248 0.875 6.756 1.00 0.00 C ATOM 908 C TYR A 58 6.791 0.428 8.111 1.00 0.00 C ATOM 909 O TYR A 58 7.011 1.090 9.106 1.00 0.00 O ATOM 910 CB TYR A 58 6.029 1.406 5.969 1.00 0.00 C ATOM 911 CG TYR A 58 5.444 2.580 6.718 1.00 0.00 C ATOM 912 CD1 TYR A 58 6.038 3.844 6.612 1.00 0.00 C ATOM 913 CD2 TYR A 58 4.312 2.405 7.522 1.00 0.00 C ATOM 914 CE1 TYR A 58 5.500 4.932 7.308 1.00 0.00 C ATOM 915 CE2 TYR A 58 3.772 3.494 8.218 1.00 0.00 C ATOM 916 CZ TYR A 58 4.366 4.757 8.112 1.00 0.00 C ATOM 917 OH TYR A 58 3.834 5.829 8.798 1.00 0.00 O ATOM 0 H TYR A 58 7.459 -0.602 5.291 1.00 0.00 H new ATOM 0 HA TYR A 58 7.965 1.696 6.769 1.00 0.00 H new ATOM 0 HB2 TYR A 58 6.329 1.709 4.966 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.282 0.621 5.854 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.912 3.979 5.992 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.855 1.430 7.606 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.959 5.906 7.226 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.897 3.359 8.837 1.00 0.00 H new ATOM 0 HH TYR A 58 3.050 5.535 9.307 1.00 0.00 H new ATOM 927 N HIS A 59 6.154 -0.750 8.121 1.00 0.00 N ATOM 928 CA HIS A 59 5.650 -1.365 9.339 1.00 0.00 C ATOM 929 C HIS A 59 6.772 -2.012 10.151 1.00 0.00 C ATOM 930 O HIS A 59 6.938 -1.716 11.327 1.00 0.00 O ATOM 931 CB HIS A 59 4.607 -2.423 8.952 1.00 0.00 C ATOM 932 CG HIS A 59 4.647 -3.576 9.917 1.00 0.00 C ATOM 933 ND1 HIS A 59 5.389 -4.720 9.662 1.00 0.00 N ATOM 934 CD2 HIS A 59 4.050 -3.782 11.130 1.00 0.00 C ATOM 935 CE1 HIS A 59 5.218 -5.553 10.702 1.00 0.00 C ATOM 936 NE2 HIS A 59 4.411 -5.031 11.625 1.00 0.00 N ATOM 0 H HIS A 59 5.977 -1.298 7.279 1.00 0.00 H new ATOM 0 HA HIS A 59 5.201 -0.593 9.964 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.612 -1.978 8.948 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.800 -2.780 7.940 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.397 -3.081 11.628 1.00 0.00 H new ATOM 0 HE1 HIS A 59 5.678 -6.527 10.780 1.00 0.00 H new ATOM 0 HE2 HIS A 59 4.120 -5.456 12.506 1.00 0.00 H new ATOM 945 N ASP A 60 7.493 -2.950 9.544 1.00 0.00 N ATOM 946 CA ASP A 60 8.526 -3.660 10.254 1.00 0.00 C ATOM 947 C ASP A 60 9.423 -2.666 10.915 1.00 0.00 C ATOM 948 O ASP A 60 9.772 -2.814 12.085 1.00 0.00 O ATOM 949 CB ASP A 60 9.329 -4.521 9.283 1.00 0.00 C ATOM 950 CG ASP A 60 10.245 -5.465 10.056 1.00 0.00 C ATOM 951 OD1 ASP A 60 9.729 -6.278 10.806 1.00 0.00 O ATOM 952 OD2 ASP A 60 11.449 -5.362 9.885 1.00 0.00 O ATOM 0 H ASP A 60 7.375 -3.227 8.570 1.00 0.00 H new ATOM 0 HA ASP A 60 8.078 -4.310 11.005 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.653 -5.095 8.649 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.921 -3.885 8.624 1.00 0.00 H new ATOM 957 N LYS A 61 9.772 -1.625 10.189 1.00 0.00 N ATOM 958 CA LYS A 61 10.598 -0.617 10.782 1.00 0.00 C ATOM 959 C LYS A 61 9.728 0.335 11.577 1.00 0.00 C ATOM 960 O LYS A 61 10.205 1.020 12.481 1.00 0.00 O ATOM 961 CB LYS A 61 11.351 0.197 9.732 1.00 0.00 C ATOM 962 CG LYS A 61 12.034 -0.735 8.758 1.00 0.00 C ATOM 963 CD LYS A 61 13.030 -1.640 9.490 1.00 0.00 C ATOM 964 CE LYS A 61 13.745 -2.529 8.472 1.00 0.00 C ATOM 965 NZ LYS A 61 14.497 -1.675 7.510 1.00 0.00 N ATOM 0 H LYS A 61 9.503 -1.464 9.218 1.00 0.00 H new ATOM 0 HA LYS A 61 11.324 -1.122 11.419 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.660 0.851 9.200 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.089 0.838 10.215 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.289 -1.344 8.245 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.553 -0.156 7.994 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.755 -1.036 10.036 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.509 -2.254 10.225 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.428 -3.209 8.982 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.021 -3.145 7.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 15.353 -2.175 7.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.897 -1.469 6.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.767 -0.784 7.974 1.00 0.00 H new ATOM 979 N ASN A 62 8.447 0.404 11.212 1.00 0.00 N ATOM 980 CA ASN A 62 7.547 1.310 11.882 1.00 0.00 C ATOM 981 C ASN A 62 6.057 0.939 11.701 1.00 0.00 C ATOM 982 O ASN A 62 5.369 1.460 10.821 1.00 0.00 O ATOM 983 CB ASN A 62 7.853 2.706 11.356 1.00 0.00 C ATOM 984 CG ASN A 62 6.698 3.654 11.640 1.00 0.00 C ATOM 985 OD1 ASN A 62 6.479 4.040 12.788 1.00 0.00 O ATOM 986 ND2 ASN A 62 5.936 4.046 10.662 1.00 0.00 N ATOM 0 H ASN A 62 8.026 -0.151 10.467 1.00 0.00 H new ATOM 0 HA ASN A 62 7.708 1.254 12.959 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.763 3.084 11.822 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.039 2.663 10.283 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.154 4.675 10.845 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.120 3.724 9.712 1.00 0.00 H new ATOM 993 N GLY A 63 5.561 0.041 12.568 1.00 0.00 N ATOM 994 CA GLY A 63 4.151 -0.386 12.505 1.00 0.00 C ATOM 995 C GLY A 63 3.834 -1.468 13.546 1.00 0.00 C ATOM 996 O GLY A 63 4.646 -1.756 14.425 1.00 0.00 O ATOM 0 H GLY A 63 6.105 -0.399 13.311 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.503 0.475 12.668 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.931 -0.766 11.507 1.00 0.00 H new ATOM 1000 N GLY A 64 2.634 -2.059 13.437 1.00 0.00 N ATOM 1001 CA GLY A 64 2.203 -3.103 14.370 1.00 0.00 C ATOM 1002 C GLY A 64 2.380 -4.509 13.779 1.00 0.00 C ATOM 1003 O GLY A 64 3.338 -5.206 14.107 1.00 0.00 O ATOM 0 H GLY A 64 1.951 -1.831 12.715 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.776 -3.023 15.294 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.156 -2.948 14.630 1.00 0.00 H new ATOM 1007 N ALA A 65 1.438 -4.927 12.917 1.00 0.00 N ATOM 1008 CA ALA A 65 1.508 -6.263 12.306 1.00 0.00 C ATOM 1009 C ALA A 65 0.766 -6.298 10.950 1.00 0.00 C ATOM 1010 O ALA A 65 1.271 -5.780 9.956 1.00 0.00 O ATOM 1011 CB ALA A 65 0.914 -7.295 13.268 1.00 0.00 C ATOM 0 H ALA A 65 0.633 -4.370 12.632 1.00 0.00 H new ATOM 0 HA ALA A 65 2.554 -6.505 12.115 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.965 -8.286 12.816 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.479 -7.292 14.200 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.126 -7.044 13.474 1.00 0.00 H new ATOM 1017 N ASN A 66 -0.441 -6.897 10.914 1.00 0.00 N ATOM 1018 CA ASN A 66 -1.225 -6.968 9.674 1.00 0.00 C ATOM 1019 C ASN A 66 -1.837 -5.622 9.372 1.00 0.00 C ATOM 1020 O ASN A 66 -1.597 -4.652 10.085 1.00 0.00 O ATOM 1021 CB ASN A 66 -2.356 -7.983 9.812 1.00 0.00 C ATOM 1022 CG ASN A 66 -3.250 -7.590 10.977 1.00 0.00 C ATOM 1023 OD1 ASN A 66 -2.797 -7.541 12.120 1.00 0.00 O ATOM 1024 ND2 ASN A 66 -4.494 -7.291 10.753 1.00 0.00 N ATOM 0 H ASN A 66 -0.886 -7.333 11.722 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.554 -7.269 8.870 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.937 -8.023 8.891 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.946 -8.980 9.974 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.099 -7.014 11.526 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.866 -7.333 9.804 1.00 0.00 H new ATOM 1031 N ARG A 67 -2.604 -5.592 8.293 1.00 0.00 N ATOM 1032 CA ARG A 67 -3.273 -4.390 7.814 1.00 0.00 C ATOM 1033 C ARG A 67 -2.313 -3.541 7.127 1.00 0.00 C ATOM 1034 O ARG A 67 -2.506 -3.262 5.966 1.00 0.00 O ATOM 1035 CB ARG A 67 -3.927 -3.558 8.913 1.00 0.00 C ATOM 1036 CG ARG A 67 -4.147 -2.092 8.436 1.00 0.00 C ATOM 1037 CD ARG A 67 -5.623 -1.858 8.105 1.00 0.00 C ATOM 1038 NE ARG A 67 -6.266 -3.115 7.729 1.00 0.00 N ATOM 1039 CZ ARG A 67 -7.546 -3.379 8.030 1.00 0.00 C ATOM 1040 NH1 ARG A 67 -8.294 -2.493 8.642 1.00 0.00 N ATOM 1041 NH2 ARG A 67 -8.050 -4.544 7.733 1.00 0.00 N ATOM 0 H ARG A 67 -2.782 -6.414 7.716 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.066 -4.739 7.152 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.882 -4.002 9.192 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.299 -3.566 9.804 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -3.827 -1.398 9.213 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.534 -1.892 7.557 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.131 -1.426 8.967 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.710 -1.140 7.290 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.724 -3.814 7.221 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.904 -1.586 8.897 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.266 -2.711 8.863 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.472 -5.248 7.275 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.023 -4.751 7.959 1.00 0.00 H new ATOM 1055 N LYS A 68 -1.288 -3.102 7.882 1.00 0.00 N ATOM 1056 CA LYS A 68 -0.250 -2.203 7.384 1.00 0.00 C ATOM 1057 C LYS A 68 -0.883 -1.117 6.553 1.00 0.00 C ATOM 1058 O LYS A 68 -0.969 0.031 6.991 1.00 0.00 O ATOM 1059 CB LYS A 68 0.844 -2.926 6.587 1.00 0.00 C ATOM 1060 CG LYS A 68 0.336 -4.220 5.976 1.00 0.00 C ATOM 1061 CD LYS A 68 0.490 -5.374 6.969 1.00 0.00 C ATOM 1062 CE LYS A 68 1.967 -5.780 7.057 1.00 0.00 C ATOM 1063 NZ LYS A 68 2.093 -7.062 7.813 1.00 0.00 N ATOM 0 H LYS A 68 -1.163 -3.367 8.859 1.00 0.00 H new ATOM 0 HA LYS A 68 0.246 -1.768 8.251 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.211 -2.271 5.797 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.689 -3.140 7.242 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.711 -4.111 5.695 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.889 -4.441 5.063 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.125 -5.074 7.951 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.114 -6.224 6.651 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.383 -5.895 6.056 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.540 -4.997 7.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.020 -7.491 7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.006 -6.874 8.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.340 -7.715 7.516 1.00 0.00 H new ATOM 1077 N VAL A 69 -1.361 -1.471 5.372 1.00 0.00 N ATOM 1078 CA VAL A 69 -2.004 -0.528 4.555 1.00 0.00 C ATOM 1079 C VAL A 69 -3.497 -0.700 4.672 1.00 0.00 C ATOM 1080 O VAL A 69 -3.971 -1.432 5.524 1.00 0.00 O ATOM 1081 CB VAL A 69 -1.595 -0.733 3.106 1.00 0.00 C ATOM 1082 CG1 VAL A 69 -0.082 -0.637 3.000 1.00 0.00 C ATOM 1083 CG2 VAL A 69 -2.075 -2.129 2.630 1.00 0.00 C ATOM 0 H VAL A 69 -1.303 -2.412 4.982 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.718 0.474 4.875 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.050 0.032 2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.220 -0.783 1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.245 0.346 3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.376 -1.405 3.623 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.783 -2.279 1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.620 -2.901 3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.160 -2.189 2.714 1.00 0.00 H new ATOM 1093 N ASN A 70 -4.249 -0.080 3.788 1.00 0.00 N ATOM 1094 CA ASN A 70 -5.685 -0.279 3.815 1.00 0.00 C ATOM 1095 C ASN A 70 -6.295 0.133 5.148 1.00 0.00 C ATOM 1096 O ASN A 70 -5.686 0.886 5.904 1.00 0.00 O ATOM 1097 CB ASN A 70 -5.911 -1.759 3.570 1.00 0.00 C ATOM 1098 CG ASN A 70 -6.428 -2.017 2.193 1.00 0.00 C ATOM 1099 OD1 ASN A 70 -7.606 -1.808 1.932 1.00 0.00 O ATOM 1100 ND2 ASN A 70 -5.617 -2.515 1.297 1.00 0.00 N ATOM 0 H ASN A 70 -3.905 0.548 3.062 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.165 0.340 3.057 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.975 -2.299 3.715 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.619 -2.146 4.303 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.963 -2.736 0.363 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.639 -2.683 1.532 1.00 0.00 H new ATOM 1107 N ASP A 71 -7.515 -0.363 5.427 1.00 0.00 N ATOM 1108 CA ASP A 71 -8.198 -0.017 6.667 1.00 0.00 C ATOM 1109 C ASP A 71 -9.545 -0.736 6.750 1.00 0.00 C ATOM 1110 O ASP A 71 -9.810 -1.555 5.888 1.00 0.00 O ATOM 1111 CB ASP A 71 -8.403 1.503 6.722 1.00 0.00 C ATOM 1112 CG ASP A 71 -9.041 1.906 8.048 1.00 0.00 C ATOM 1113 OD1 ASP A 71 -8.387 1.759 9.067 1.00 0.00 O ATOM 1114 OD2 ASP A 71 -10.175 2.355 8.024 1.00 0.00 O ATOM 1115 OXT ASP A 71 -10.288 -0.464 7.680 1.00 0.00 O ATOM 0 H ASP A 71 -8.033 -0.994 4.815 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.590 -0.332 7.515 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -7.445 2.010 6.603 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -9.037 1.821 5.894 1.00 0.00 H new