USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 733 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 54 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 63 HIS : no HD1:sc= -0.145 K(o=-0.15,f=-0.71) USER MOD Set 2.1: A 37 SER OG : rot 75:sc= 1.14 USER MOD Set 2.2: A 74 SER OG : rot 179:sc= -0.237 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.742 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00891 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.389 USER MOD Single : A 39 GLN : amide:sc= -0.661 K(o=-0.66,f=-3.4!) USER MOD Single : A 43 CYS SG : rot 100:sc= -0.532 USER MOD Single : A 48 GLN : amide:sc= -0.0332 K(o=-0.033,f=-1.3!) USER MOD Single : A 50 TYR OH : rot -150:sc= -1.03 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc=-0.00605 X(o=-0.006,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.777 K(o=-0.78,f=-2.8) USER MOD Single : A 66 ASN : amide:sc= -0.348 K(o=-0.35,f=-6.1!) USER MOD Single : A 69 ASN : amide:sc= -0.641 K(o=-0.64,f=-3.1!) USER MOD Single : A 72 GLN : amide:sc= -1.34 X(o=-1.3,f=-1.6) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -1.51! K(o=-1.5!,f=-0.055) USER MOD Single : A 84 HIS : no HE2:sc= 0.623 K(o=0.62,f=-7.9!) USER MOD Single : A 85 SER OG : rot -170:sc= -0.139 USER MOD Single : A 86 TYR OH : rot 30:sc= -0.223 USER MOD Single : A 93 GLN : amide:sc= -0.116 K(o=-0.12,f=-2.5!) USER MOD Single : A 94 SER OG : rot 151:sc= -0.748 USER MOD Single : A 95 GLN : amide:sc= 0.706 K(o=0.71,f=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 184 N GLY A 16 9.721 16.643 -1.546 1.00 0.00 N ATOM 185 CA GLY A 16 8.484 16.616 -2.303 1.00 0.00 C ATOM 186 C GLY A 16 7.964 15.208 -2.514 1.00 0.00 C ATOM 187 O GLY A 16 7.472 14.875 -3.592 1.00 0.00 O ATOM 0 HA2 GLY A 16 7.729 17.204 -1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.644 17.090 -3.271 1.00 0.00 H new ATOM 191 N VAL A 17 8.074 14.377 -1.482 1.00 0.00 N ATOM 192 CA VAL A 17 7.611 12.997 -1.559 1.00 0.00 C ATOM 193 C VAL A 17 6.350 12.792 -0.728 1.00 0.00 C ATOM 194 O VAL A 17 6.113 13.479 0.266 1.00 0.00 O ATOM 195 CB VAL A 17 8.695 12.014 -1.076 1.00 0.00 C ATOM 196 CG1 VAL A 17 9.804 11.892 -2.110 1.00 0.00 C ATOM 197 CG2 VAL A 17 9.254 12.456 0.268 1.00 0.00 C ATOM 0 H VAL A 17 8.480 14.636 -0.583 1.00 0.00 H new ATOM 0 HA VAL A 17 7.388 12.797 -2.607 1.00 0.00 H new ATOM 0 HB VAL A 17 8.240 11.032 -0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.560 11.194 -1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.388 11.526 -3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.260 12.869 -2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.018 11.750 0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.694 13.448 0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.451 12.486 1.004 1.00 0.00 H new ATOM 207 N PRO A 18 5.518 11.825 -1.143 1.00 0.00 N ATOM 208 CA PRO A 18 4.266 11.507 -0.450 1.00 0.00 C ATOM 209 C PRO A 18 4.504 10.855 0.907 1.00 0.00 C ATOM 210 O PRO A 18 5.087 9.774 0.994 1.00 0.00 O ATOM 211 CB PRO A 18 3.575 10.526 -1.401 1.00 0.00 C ATOM 212 CG PRO A 18 4.684 9.903 -2.176 1.00 0.00 C ATOM 213 CD PRO A 18 5.737 10.968 -2.320 1.00 0.00 C ATOM 0 HA PRO A 18 3.679 12.401 -0.236 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.006 9.776 -0.851 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.873 11.040 -2.058 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.080 9.030 -1.658 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.336 9.564 -3.152 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.741 10.543 -2.326 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.621 11.525 -3.250 1.00 0.00 H new ATOM 221 N ASP A 19 4.049 11.518 1.965 1.00 0.00 N ATOM 222 CA ASP A 19 4.211 11.002 3.319 1.00 0.00 C ATOM 223 C ASP A 19 3.606 9.607 3.445 1.00 0.00 C ATOM 224 O ASP A 19 3.060 9.065 2.483 1.00 0.00 O ATOM 225 CB ASP A 19 3.560 11.947 4.329 1.00 0.00 C ATOM 226 CG ASP A 19 4.153 11.808 5.718 1.00 0.00 C ATOM 227 OD1 ASP A 19 3.709 10.911 6.465 1.00 0.00 O ATOM 228 OD2 ASP A 19 5.059 12.597 6.058 1.00 0.00 O ATOM 0 H ASP A 19 3.565 12.414 1.911 1.00 0.00 H new ATOM 0 HA ASP A 19 5.278 10.936 3.531 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.678 12.976 3.988 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.490 11.746 4.372 1.00 0.00 H new ATOM 233 N THR A 20 3.707 9.029 4.638 1.00 0.00 N ATOM 234 CA THR A 20 3.172 7.697 4.890 1.00 0.00 C ATOM 235 C THR A 20 1.652 7.685 4.778 1.00 0.00 C ATOM 236 O THR A 20 0.956 8.511 5.368 1.00 0.00 O ATOM 237 CB THR A 20 3.577 7.183 6.284 1.00 0.00 C ATOM 238 OG1 THR A 20 4.897 7.635 6.608 1.00 0.00 O ATOM 239 CG2 THR A 20 3.529 5.663 6.336 1.00 0.00 C ATOM 0 H THR A 20 4.155 9.463 5.445 1.00 0.00 H new ATOM 0 HA THR A 20 3.595 7.038 4.132 1.00 0.00 H new ATOM 0 HB THR A 20 2.869 7.578 7.012 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.147 7.306 7.497 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.819 5.324 7.330 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.517 5.323 6.118 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.217 5.252 5.597 1.00 0.00 H new ATOM 247 N PRO A 21 1.122 6.725 4.004 1.00 0.00 N ATOM 248 CA PRO A 21 -0.322 6.582 3.799 1.00 0.00 C ATOM 249 C PRO A 21 -1.042 6.103 5.055 1.00 0.00 C ATOM 250 O PRO A 21 -0.462 5.406 5.888 1.00 0.00 O ATOM 251 CB PRO A 21 -0.420 5.529 2.692 1.00 0.00 C ATOM 252 CG PRO A 21 0.839 4.740 2.808 1.00 0.00 C ATOM 253 CD PRO A 21 1.893 5.707 3.271 1.00 0.00 C ATOM 0 HA PRO A 21 -0.794 7.532 3.546 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.298 4.896 2.824 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.507 5.994 1.710 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.722 3.921 3.518 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.111 4.296 1.850 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.630 5.222 3.912 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.437 6.141 2.432 1.00 0.00 H new ATOM 261 N THR A 22 -2.310 6.480 5.185 1.00 0.00 N ATOM 262 CA THR A 22 -3.109 6.089 6.339 1.00 0.00 C ATOM 263 C THR A 22 -3.402 4.593 6.324 1.00 0.00 C ATOM 264 O THR A 22 -3.062 3.894 5.370 1.00 0.00 O ATOM 265 CB THR A 22 -4.441 6.861 6.388 1.00 0.00 C ATOM 266 OG1 THR A 22 -4.261 8.182 5.866 1.00 0.00 O ATOM 267 CG2 THR A 22 -4.969 6.940 7.812 1.00 0.00 C ATOM 0 H THR A 22 -2.806 7.056 4.505 1.00 0.00 H new ATOM 0 HA THR A 22 -2.524 6.333 7.225 1.00 0.00 H new ATOM 0 HB THR A 22 -5.168 6.326 5.778 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.113 8.666 5.899 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.910 7.490 7.821 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.133 5.933 8.196 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.243 7.454 8.441 1.00 0.00 H new ATOM 275 N ARG A 23 -4.035 4.108 7.388 1.00 0.00 N ATOM 276 CA ARG A 23 -4.373 2.694 7.496 1.00 0.00 C ATOM 277 C ARG A 23 -5.048 2.197 6.221 1.00 0.00 C ATOM 278 O ARG A 23 -5.631 2.979 5.469 1.00 0.00 O ATOM 279 CB ARG A 23 -5.291 2.459 8.697 1.00 0.00 C ATOM 280 CG ARG A 23 -6.632 3.166 8.587 1.00 0.00 C ATOM 281 CD ARG A 23 -7.573 2.754 9.708 1.00 0.00 C ATOM 282 NE ARG A 23 -8.956 3.129 9.428 1.00 0.00 N ATOM 283 CZ ARG A 23 -9.980 2.799 10.208 1.00 0.00 C ATOM 284 NH1 ARG A 23 -9.776 2.092 11.311 1.00 0.00 N ATOM 285 NH2 ARG A 23 -11.210 3.178 9.885 1.00 0.00 N ATOM 0 H ARG A 23 -4.324 4.673 8.186 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.448 2.134 7.638 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.463 1.388 8.808 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.785 2.797 9.602 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.479 4.245 8.617 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.088 2.935 7.624 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.512 1.676 9.854 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.253 3.220 10.640 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.147 3.674 8.587 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.831 1.800 11.562 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.564 1.840 11.908 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.370 3.723 9.038 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.996 2.924 10.484 1.00 0.00 H new ATOM 299 N LEU A 24 -4.964 0.893 5.984 1.00 0.00 N ATOM 300 CA LEU A 24 -5.566 0.290 4.800 1.00 0.00 C ATOM 301 C LEU A 24 -6.895 -0.376 5.143 1.00 0.00 C ATOM 302 O LEU A 24 -7.152 -0.714 6.299 1.00 0.00 O ATOM 303 CB LEU A 24 -4.612 -0.735 4.184 1.00 0.00 C ATOM 304 CG LEU A 24 -3.120 -0.466 4.381 1.00 0.00 C ATOM 305 CD1 LEU A 24 -2.292 -1.598 3.792 1.00 0.00 C ATOM 306 CD2 LEU A 24 -2.731 0.864 3.753 1.00 0.00 C ATOM 0 H LEU A 24 -4.485 0.233 6.596 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.755 1.082 4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.843 -1.714 4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.813 -0.791 3.114 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.917 -0.413 5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.233 -1.390 3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.551 -2.534 4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.498 -1.683 2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.666 1.039 3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.948 0.839 2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.300 1.667 4.221 1.00 0.00 H new ATOM 318 N VAL A 25 -7.735 -0.565 4.131 1.00 0.00 N ATOM 319 CA VAL A 25 -9.036 -1.194 4.325 1.00 0.00 C ATOM 320 C VAL A 25 -9.170 -2.453 3.475 1.00 0.00 C ATOM 321 O VAL A 25 -9.144 -2.391 2.246 1.00 0.00 O ATOM 322 CB VAL A 25 -10.185 -0.228 3.976 1.00 0.00 C ATOM 323 CG1 VAL A 25 -11.489 -0.991 3.801 1.00 0.00 C ATOM 324 CG2 VAL A 25 -10.323 0.843 5.048 1.00 0.00 C ATOM 0 H VAL A 25 -7.538 -0.292 3.168 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.104 -1.462 5.379 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.951 0.263 3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.289 -0.293 3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.380 -1.717 2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.733 -1.511 4.727 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.139 1.517 4.786 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.535 0.372 6.008 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.394 1.409 5.119 1.00 0.00 H new ATOM 334 N PHE A 26 -9.314 -3.595 4.139 1.00 0.00 N ATOM 335 CA PHE A 26 -9.451 -4.870 3.444 1.00 0.00 C ATOM 336 C PHE A 26 -10.913 -5.304 3.389 1.00 0.00 C ATOM 337 O PHE A 26 -11.645 -5.183 4.371 1.00 0.00 O ATOM 338 CB PHE A 26 -8.614 -5.946 4.139 1.00 0.00 C ATOM 339 CG PHE A 26 -7.187 -5.538 4.371 1.00 0.00 C ATOM 340 CD1 PHE A 26 -6.842 -4.773 5.473 1.00 0.00 C ATOM 341 CD2 PHE A 26 -6.191 -5.921 3.487 1.00 0.00 C ATOM 342 CE1 PHE A 26 -5.529 -4.396 5.689 1.00 0.00 C ATOM 343 CE2 PHE A 26 -4.877 -5.547 3.698 1.00 0.00 C ATOM 344 CZ PHE A 26 -4.546 -4.783 4.800 1.00 0.00 C ATOM 0 H PHE A 26 -9.339 -3.664 5.156 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.089 -4.741 2.424 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.074 -6.191 5.096 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.631 -6.854 3.536 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.607 -4.467 6.171 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.444 -6.518 2.624 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.273 -3.800 6.552 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.110 -5.852 3.002 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.520 -4.489 4.966 1.00 0.00 H new ATOM 354 N SER A 27 -11.330 -5.810 2.233 1.00 0.00 N ATOM 355 CA SER A 27 -12.705 -6.259 2.046 1.00 0.00 C ATOM 356 C SER A 27 -12.799 -7.778 2.144 1.00 0.00 C ATOM 357 O SER A 27 -13.746 -8.317 2.716 1.00 0.00 O ATOM 358 CB SER A 27 -13.238 -5.789 0.691 1.00 0.00 C ATOM 359 OG SER A 27 -14.635 -6.006 0.589 1.00 0.00 O ATOM 0 H SER A 27 -10.735 -5.919 1.411 1.00 0.00 H new ATOM 0 HA SER A 27 -13.314 -5.824 2.838 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.021 -4.729 0.559 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.725 -6.321 -0.110 1.00 0.00 H new ATOM 0 HG SER A 27 -14.951 -5.696 -0.285 1.00 0.00 H new ATOM 365 N ALA A 28 -11.809 -8.463 1.580 1.00 0.00 N ATOM 366 CA ALA A 28 -11.778 -9.920 1.605 1.00 0.00 C ATOM 367 C ALA A 28 -12.986 -10.508 0.883 1.00 0.00 C ATOM 368 O ALA A 28 -13.707 -11.340 1.435 1.00 0.00 O ATOM 369 CB ALA A 28 -11.722 -10.423 3.040 1.00 0.00 C ATOM 0 H ALA A 28 -11.018 -8.032 1.101 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.880 -10.248 1.082 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.699 -11.513 3.043 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.824 -10.040 3.525 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.602 -10.077 3.581 1.00 0.00 H new ATOM 375 N LEU A 29 -13.202 -10.069 -0.352 1.00 0.00 N ATOM 376 CA LEU A 29 -14.324 -10.551 -1.150 1.00 0.00 C ATOM 377 C LEU A 29 -14.502 -12.057 -0.986 1.00 0.00 C ATOM 378 O LEU A 29 -15.605 -12.582 -1.129 1.00 0.00 O ATOM 379 CB LEU A 29 -14.111 -10.208 -2.625 1.00 0.00 C ATOM 380 CG LEU A 29 -13.993 -8.721 -2.958 1.00 0.00 C ATOM 381 CD1 LEU A 29 -14.791 -7.887 -1.969 1.00 0.00 C ATOM 382 CD2 LEU A 29 -12.533 -8.291 -2.965 1.00 0.00 C ATOM 0 H LEU A 29 -12.615 -9.380 -0.823 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.229 -10.057 -0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.205 -10.709 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -14.941 -10.623 -3.197 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.405 -8.558 -3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.695 -6.831 -2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.841 -8.176 -2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.410 -8.054 -0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.467 -7.230 -3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.096 -8.469 -1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.988 -8.866 -3.714 1.00 0.00 H new ATOM 394 N GLY A 30 -13.406 -12.747 -0.683 1.00 0.00 N ATOM 395 CA GLY A 30 -13.463 -14.186 -0.502 1.00 0.00 C ATOM 396 C GLY A 30 -12.178 -14.749 0.074 1.00 0.00 C ATOM 397 O GLY A 30 -11.313 -14.014 0.551 1.00 0.00 O ATOM 0 H GLY A 30 -12.481 -12.336 -0.560 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.293 -14.433 0.160 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.667 -14.662 -1.461 1.00 0.00 H new ATOM 401 N PRO A 31 -12.043 -16.083 0.037 1.00 0.00 N ATOM 402 CA PRO A 31 -10.859 -16.773 0.557 1.00 0.00 C ATOM 403 C PRO A 31 -9.621 -16.525 -0.299 1.00 0.00 C ATOM 404 O PRO A 31 -8.495 -16.545 0.199 1.00 0.00 O ATOM 405 CB PRO A 31 -11.258 -18.250 0.504 1.00 0.00 C ATOM 406 CG PRO A 31 -12.291 -18.326 -0.566 1.00 0.00 C ATOM 407 CD PRO A 31 -13.035 -17.020 -0.517 1.00 0.00 C ATOM 0 HA PRO A 31 -10.590 -16.425 1.554 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.401 -18.883 0.273 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -11.655 -18.587 1.462 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.831 -18.477 -1.543 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -12.965 -19.166 -0.398 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -13.370 -16.711 -1.507 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -13.922 -17.086 0.114 1.00 0.00 H new ATOM 415 N THR A 32 -9.836 -16.291 -1.590 1.00 0.00 N ATOM 416 CA THR A 32 -8.738 -16.039 -2.514 1.00 0.00 C ATOM 417 C THR A 32 -8.871 -14.667 -3.165 1.00 0.00 C ATOM 418 O THR A 32 -8.268 -14.402 -4.205 1.00 0.00 O ATOM 419 CB THR A 32 -8.675 -17.114 -3.616 1.00 0.00 C ATOM 420 OG1 THR A 32 -9.961 -17.266 -4.226 1.00 0.00 O ATOM 421 CG2 THR A 32 -8.217 -18.448 -3.046 1.00 0.00 C ATOM 0 H THR A 32 -10.761 -16.271 -2.019 1.00 0.00 H new ATOM 0 HA THR A 32 -7.818 -16.073 -1.930 1.00 0.00 H new ATOM 0 HB THR A 32 -7.953 -16.791 -4.366 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.912 -17.950 -4.926 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.180 -19.191 -3.843 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.225 -18.336 -2.609 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.917 -18.775 -2.277 1.00 0.00 H new ATOM 429 N SER A 33 -9.663 -13.798 -2.547 1.00 0.00 N ATOM 430 CA SER A 33 -9.877 -12.453 -3.068 1.00 0.00 C ATOM 431 C SER A 33 -9.838 -11.422 -1.944 1.00 0.00 C ATOM 432 O SER A 33 -10.227 -11.706 -0.811 1.00 0.00 O ATOM 433 CB SER A 33 -11.218 -12.374 -3.800 1.00 0.00 C ATOM 434 OG SER A 33 -12.208 -13.140 -3.136 1.00 0.00 O ATOM 0 H SER A 33 -10.168 -14.001 -1.684 1.00 0.00 H new ATOM 0 HA SER A 33 -9.074 -12.231 -3.770 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.540 -11.335 -3.864 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.100 -12.734 -4.822 1.00 0.00 H new ATOM 0 HG SER A 33 -13.056 -13.071 -3.623 1.00 0.00 H new ATOM 440 N LEU A 34 -9.364 -10.223 -2.266 1.00 0.00 N ATOM 441 CA LEU A 34 -9.273 -9.148 -1.285 1.00 0.00 C ATOM 442 C LEU A 34 -9.298 -7.784 -1.968 1.00 0.00 C ATOM 443 O LEU A 34 -9.116 -7.683 -3.181 1.00 0.00 O ATOM 444 CB LEU A 34 -7.995 -9.293 -0.457 1.00 0.00 C ATOM 445 CG LEU A 34 -8.119 -10.107 0.832 1.00 0.00 C ATOM 446 CD1 LEU A 34 -6.809 -10.811 1.146 1.00 0.00 C ATOM 447 CD2 LEU A 34 -8.536 -9.211 1.989 1.00 0.00 C ATOM 0 H LEU A 34 -9.037 -9.971 -3.199 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.137 -9.219 -0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.231 -9.755 -1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.637 -8.296 -0.200 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.889 -10.865 0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.916 -11.385 2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.552 -11.483 0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.019 -10.071 1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.620 -9.806 2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.788 -8.431 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.499 -8.753 1.765 1.00 0.00 H new ATOM 459 N ARG A 35 -9.522 -6.737 -1.180 1.00 0.00 N ATOM 460 CA ARG A 35 -9.569 -5.380 -1.708 1.00 0.00 C ATOM 461 C ARG A 35 -8.975 -4.388 -0.712 1.00 0.00 C ATOM 462 O ARG A 35 -9.601 -4.052 0.293 1.00 0.00 O ATOM 463 CB ARG A 35 -11.011 -4.987 -2.037 1.00 0.00 C ATOM 464 CG ARG A 35 -11.147 -3.580 -2.595 1.00 0.00 C ATOM 465 CD ARG A 35 -12.580 -3.081 -2.504 1.00 0.00 C ATOM 466 NE ARG A 35 -12.759 -1.803 -3.188 1.00 0.00 N ATOM 467 CZ ARG A 35 -13.743 -0.954 -2.914 1.00 0.00 C ATOM 468 NH1 ARG A 35 -14.632 -1.246 -1.974 1.00 0.00 N ATOM 469 NH2 ARG A 35 -13.840 0.189 -3.580 1.00 0.00 N ATOM 0 H ARG A 35 -9.674 -6.803 -0.174 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.975 -5.352 -2.621 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.416 -5.696 -2.759 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.616 -5.071 -1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.490 -2.905 -2.047 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.821 -3.567 -3.635 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.250 -3.822 -2.939 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.861 -2.974 -1.456 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.092 -1.548 -3.916 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.561 -2.124 -1.460 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.387 -0.592 -1.765 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -13.158 0.417 -4.304 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.596 0.840 -3.368 1.00 0.00 H new ATOM 483 N VAL A 36 -7.763 -3.923 -0.999 1.00 0.00 N ATOM 484 CA VAL A 36 -7.085 -2.969 -0.129 1.00 0.00 C ATOM 485 C VAL A 36 -7.332 -1.536 -0.586 1.00 0.00 C ATOM 486 O VAL A 36 -7.184 -1.215 -1.766 1.00 0.00 O ATOM 487 CB VAL A 36 -5.567 -3.228 -0.087 1.00 0.00 C ATOM 488 CG1 VAL A 36 -4.831 -2.005 0.435 1.00 0.00 C ATOM 489 CG2 VAL A 36 -5.259 -4.450 0.765 1.00 0.00 C ATOM 0 H VAL A 36 -7.231 -4.191 -1.827 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.497 -3.105 0.871 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.221 -3.424 -1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.760 -2.207 0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.026 -1.156 -0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.178 -1.774 1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.182 -4.618 0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.618 -4.285 1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.756 -5.323 0.342 1.00 0.00 H new ATOM 499 N SER A 37 -7.710 -0.677 0.355 1.00 0.00 N ATOM 500 CA SER A 37 -7.981 0.723 0.048 1.00 0.00 C ATOM 501 C SER A 37 -7.239 1.644 1.012 1.00 0.00 C ATOM 502 O SER A 37 -7.277 1.449 2.227 1.00 0.00 O ATOM 503 CB SER A 37 -9.485 0.999 0.116 1.00 0.00 C ATOM 504 OG SER A 37 -9.765 2.361 -0.160 1.00 0.00 O ATOM 0 H SER A 37 -7.836 -0.926 1.336 1.00 0.00 H new ATOM 0 HA SER A 37 -7.627 0.924 -0.963 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.007 0.364 -0.600 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.861 0.740 1.106 1.00 0.00 H new ATOM 0 HG SER A 37 -9.672 2.526 -1.122 1.00 0.00 H new ATOM 510 N TRP A 38 -6.565 2.647 0.461 1.00 0.00 N ATOM 511 CA TRP A 38 -5.814 3.599 1.271 1.00 0.00 C ATOM 512 C TRP A 38 -6.302 5.023 1.029 1.00 0.00 C ATOM 513 O TRP A 38 -7.269 5.241 0.301 1.00 0.00 O ATOM 514 CB TRP A 38 -4.320 3.498 0.957 1.00 0.00 C ATOM 515 CG TRP A 38 -4.015 3.565 -0.508 1.00 0.00 C ATOM 516 CD1 TRP A 38 -3.468 4.619 -1.184 1.00 0.00 C ATOM 517 CD2 TRP A 38 -4.240 2.537 -1.479 1.00 0.00 C ATOM 518 NE1 TRP A 38 -3.340 4.307 -2.517 1.00 0.00 N ATOM 519 CE2 TRP A 38 -3.806 3.035 -2.723 1.00 0.00 C ATOM 520 CE3 TRP A 38 -4.764 1.243 -1.418 1.00 0.00 C ATOM 521 CZ2 TRP A 38 -3.882 2.285 -3.893 1.00 0.00 C ATOM 522 CZ3 TRP A 38 -4.840 0.499 -2.580 1.00 0.00 C ATOM 523 CH2 TRP A 38 -4.400 1.021 -3.804 1.00 0.00 C ATOM 0 H TRP A 38 -6.523 2.822 -0.543 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.975 3.353 2.321 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.794 4.304 1.468 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.934 2.561 1.359 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.179 5.559 -0.737 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.960 4.923 -3.236 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -5.104 0.832 -0.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.544 2.686 -4.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -5.245 -0.501 -2.544 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.471 0.414 -4.695 1.00 0.00 H new ATOM 534 N GLN A 39 -5.626 5.988 1.645 1.00 0.00 N ATOM 535 CA GLN A 39 -5.992 7.391 1.496 1.00 0.00 C ATOM 536 C GLN A 39 -4.847 8.191 0.885 1.00 0.00 C ATOM 537 O GLN A 39 -3.692 8.039 1.281 1.00 0.00 O ATOM 538 CB GLN A 39 -6.379 7.985 2.852 1.00 0.00 C ATOM 539 CG GLN A 39 -7.273 9.210 2.747 1.00 0.00 C ATOM 540 CD GLN A 39 -8.655 8.879 2.218 1.00 0.00 C ATOM 541 OE1 GLN A 39 -8.914 7.757 1.782 1.00 0.00 O ATOM 542 NE2 GLN A 39 -9.552 9.858 2.253 1.00 0.00 N ATOM 0 H GLN A 39 -4.823 5.824 2.251 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.848 7.448 0.824 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.889 7.223 3.441 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.472 8.253 3.394 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.365 9.673 3.729 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.803 9.943 2.092 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.294 10.773 2.623 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.499 9.695 1.910 1.00 0.00 H new ATOM 551 N GLU A 40 -5.176 9.042 -0.082 1.00 0.00 N ATOM 552 CA GLU A 40 -4.174 9.865 -0.748 1.00 0.00 C ATOM 553 C GLU A 40 -3.405 10.712 0.263 1.00 0.00 C ATOM 554 O GLU A 40 -3.932 11.663 0.841 1.00 0.00 O ATOM 555 CB GLU A 40 -4.835 10.770 -1.790 1.00 0.00 C ATOM 556 CG GLU A 40 -3.842 11.517 -2.665 1.00 0.00 C ATOM 557 CD GLU A 40 -4.424 12.787 -3.254 1.00 0.00 C ATOM 558 OE1 GLU A 40 -5.240 13.438 -2.569 1.00 0.00 O ATOM 559 OE2 GLU A 40 -4.065 13.129 -4.400 1.00 0.00 O ATOM 0 H GLU A 40 -6.128 9.179 -0.421 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.470 9.200 -1.249 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.483 10.166 -2.425 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.472 11.492 -1.280 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.959 11.765 -2.076 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.512 10.864 -3.473 1.00 0.00 H new ATOM 566 N PRO A 41 -2.130 10.359 0.482 1.00 0.00 N ATOM 567 CA PRO A 41 -1.262 11.073 1.422 1.00 0.00 C ATOM 568 C PRO A 41 -0.893 12.468 0.928 1.00 0.00 C ATOM 569 O PRO A 41 -1.198 12.834 -0.208 1.00 0.00 O ATOM 570 CB PRO A 41 -0.016 10.186 1.498 1.00 0.00 C ATOM 571 CG PRO A 41 0.003 9.448 0.204 1.00 0.00 C ATOM 572 CD PRO A 41 -1.437 9.236 -0.173 1.00 0.00 C ATOM 0 HA PRO A 41 -1.749 11.233 2.384 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.887 10.782 1.627 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.069 9.501 2.344 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.527 10.018 -0.563 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.524 8.496 0.305 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.576 9.253 -1.254 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.808 8.274 0.181 1.00 0.00 H new ATOM 580 N ARG A 42 -0.237 13.241 1.786 1.00 0.00 N ATOM 581 CA ARG A 42 0.172 14.596 1.436 1.00 0.00 C ATOM 582 C ARG A 42 1.420 14.577 0.559 1.00 0.00 C ATOM 583 O ARG A 42 2.335 13.784 0.781 1.00 0.00 O ATOM 584 CB ARG A 42 0.436 15.415 2.701 1.00 0.00 C ATOM 585 CG ARG A 42 1.719 15.028 3.419 1.00 0.00 C ATOM 586 CD ARG A 42 1.893 15.814 4.709 1.00 0.00 C ATOM 587 NE ARG A 42 1.066 15.284 5.790 1.00 0.00 N ATOM 588 CZ ARG A 42 1.309 15.504 7.077 1.00 0.00 C ATOM 589 NH1 ARG A 42 2.348 16.242 7.442 1.00 0.00 N ATOM 590 NH2 ARG A 42 0.510 14.987 8.002 1.00 0.00 N ATOM 0 H ARG A 42 0.023 12.952 2.729 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.639 15.060 0.874 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.482 16.472 2.437 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.404 15.293 3.385 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.706 13.961 3.641 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.572 15.207 2.764 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.941 15.790 5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.635 16.859 4.534 1.00 0.00 H new ATOM 0 HE ARG A 42 0.257 14.714 5.543 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.963 16.642 6.734 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.532 16.409 8.431 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.291 14.420 7.725 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.697 15.156 8.990 1.00 0.00 H new ATOM 604 N CYS A 43 1.450 15.455 -0.438 1.00 0.00 N ATOM 605 CA CYS A 43 2.585 15.539 -1.350 1.00 0.00 C ATOM 606 C CYS A 43 2.550 16.842 -2.142 1.00 0.00 C ATOM 607 O CYS A 43 1.620 17.088 -2.909 1.00 0.00 O ATOM 608 CB CYS A 43 2.587 14.346 -2.306 1.00 0.00 C ATOM 609 SG CYS A 43 1.089 14.201 -3.308 1.00 0.00 S ATOM 0 H CYS A 43 0.701 16.119 -0.635 1.00 0.00 H new ATOM 0 HA CYS A 43 3.499 15.520 -0.757 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.448 14.427 -2.969 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.715 13.431 -1.728 1.00 0.00 H new ATOM 0 HG CYS A 43 1.312 14.683 -4.495 1.00 0.00 H new ATOM 615 N GLU A 44 3.570 17.673 -1.950 1.00 0.00 N ATOM 616 CA GLU A 44 3.654 18.952 -2.646 1.00 0.00 C ATOM 617 C GLU A 44 3.576 18.755 -4.157 1.00 0.00 C ATOM 618 O GLU A 44 3.149 19.648 -4.888 1.00 0.00 O ATOM 619 CB GLU A 44 4.954 19.672 -2.281 1.00 0.00 C ATOM 620 CG GLU A 44 4.869 21.183 -2.409 1.00 0.00 C ATOM 621 CD GLU A 44 6.229 21.851 -2.347 1.00 0.00 C ATOM 622 OE1 GLU A 44 7.065 21.581 -3.235 1.00 0.00 O ATOM 623 OE2 GLU A 44 6.458 22.644 -1.409 1.00 0.00 O ATOM 0 H GLU A 44 4.349 17.484 -1.319 1.00 0.00 H new ATOM 0 HA GLU A 44 2.808 19.564 -2.332 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.225 19.417 -1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.755 19.306 -2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.386 21.437 -3.352 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.238 21.577 -1.612 1.00 0.00 H new ATOM 630 N ARG A 45 3.991 17.580 -4.617 1.00 0.00 N ATOM 631 CA ARG A 45 3.970 17.266 -6.041 1.00 0.00 C ATOM 632 C ARG A 45 2.845 16.288 -6.365 1.00 0.00 C ATOM 633 O ARG A 45 2.410 15.502 -5.523 1.00 0.00 O ATOM 634 CB ARG A 45 5.314 16.676 -6.475 1.00 0.00 C ATOM 635 CG ARG A 45 6.489 17.614 -6.255 1.00 0.00 C ATOM 636 CD ARG A 45 6.453 18.788 -7.220 1.00 0.00 C ATOM 637 NE ARG A 45 7.347 19.866 -6.804 1.00 0.00 N ATOM 638 CZ ARG A 45 7.242 21.117 -7.238 1.00 0.00 C ATOM 639 NH1 ARG A 45 6.286 21.447 -8.095 1.00 0.00 N ATOM 640 NH2 ARG A 45 8.093 22.042 -6.813 1.00 0.00 N ATOM 0 H ARG A 45 4.346 16.829 -4.025 1.00 0.00 H new ATOM 0 HA ARG A 45 3.793 18.191 -6.589 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.490 15.751 -5.925 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.262 16.414 -7.532 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.474 17.984 -5.230 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.422 17.066 -6.382 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.735 18.447 -8.216 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.434 19.169 -7.290 1.00 0.00 H new ATOM 0 HE ARG A 45 8.093 19.646 -6.144 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.629 20.739 -8.423 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.208 22.408 -8.426 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.829 21.793 -6.152 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.011 23.002 -7.147 1.00 0.00 H new ATOM 654 N PRO A 46 2.360 16.336 -7.615 1.00 0.00 N ATOM 655 CA PRO A 46 1.280 15.461 -8.079 1.00 0.00 C ATOM 656 C PRO A 46 1.723 14.007 -8.202 1.00 0.00 C ATOM 657 O PRO A 46 2.755 13.711 -8.807 1.00 0.00 O ATOM 658 CB PRO A 46 0.928 16.031 -9.456 1.00 0.00 C ATOM 659 CG PRO A 46 2.172 16.712 -9.912 1.00 0.00 C ATOM 660 CD PRO A 46 2.831 17.247 -8.671 1.00 0.00 C ATOM 0 HA PRO A 46 0.442 15.444 -7.382 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.632 15.242 -10.147 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.094 16.730 -9.394 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.829 16.016 -10.433 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.943 17.517 -10.610 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.918 17.236 -8.756 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.538 18.278 -8.473 1.00 0.00 H new ATOM 668 N LEU A 47 0.938 13.103 -7.627 1.00 0.00 N ATOM 669 CA LEU A 47 1.249 11.679 -7.673 1.00 0.00 C ATOM 670 C LEU A 47 0.988 11.109 -9.063 1.00 0.00 C ATOM 671 O LEU A 47 0.182 11.646 -9.822 1.00 0.00 O ATOM 672 CB LEU A 47 0.420 10.922 -6.634 1.00 0.00 C ATOM 673 CG LEU A 47 0.511 11.436 -5.197 1.00 0.00 C ATOM 674 CD1 LEU A 47 -0.688 10.971 -4.386 1.00 0.00 C ATOM 675 CD2 LEU A 47 1.808 10.975 -4.547 1.00 0.00 C ATOM 0 H LEU A 47 0.081 13.331 -7.123 1.00 0.00 H new ATOM 0 HA LEU A 47 2.307 11.556 -7.444 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.625 10.949 -6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.728 9.877 -6.645 1.00 0.00 H new ATOM 0 HG LEU A 47 0.507 12.526 -5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.605 11.347 -3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.603 11.351 -4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.716 9.881 -4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.856 11.350 -3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.842 9.886 -4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.656 11.359 -5.114 1.00 0.00 H new ATOM 687 N GLN A 48 1.673 10.018 -9.388 1.00 0.00 N ATOM 688 CA GLN A 48 1.514 9.374 -10.687 1.00 0.00 C ATOM 689 C GLN A 48 0.766 8.052 -10.551 1.00 0.00 C ATOM 690 O GLN A 48 0.161 7.568 -11.507 1.00 0.00 O ATOM 691 CB GLN A 48 2.880 9.137 -11.334 1.00 0.00 C ATOM 692 CG GLN A 48 3.659 10.416 -11.593 1.00 0.00 C ATOM 693 CD GLN A 48 4.866 10.193 -12.484 1.00 0.00 C ATOM 694 OE1 GLN A 48 4.909 9.240 -13.263 1.00 0.00 O ATOM 695 NE2 GLN A 48 5.854 11.073 -12.375 1.00 0.00 N ATOM 0 H GLN A 48 2.344 9.561 -8.770 1.00 0.00 H new ATOM 0 HA GLN A 48 0.929 10.038 -11.324 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.470 8.486 -10.689 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.740 8.609 -12.277 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.001 11.151 -12.057 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.987 10.837 -10.642 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.776 11.848 -11.716 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.691 10.974 -12.950 1.00 0.00 H new ATOM 704 N GLY A 49 0.813 7.471 -9.355 1.00 0.00 N ATOM 705 CA GLY A 49 0.136 6.210 -9.116 1.00 0.00 C ATOM 706 C GLY A 49 0.353 5.693 -7.708 1.00 0.00 C ATOM 707 O GLY A 49 0.568 6.473 -6.780 1.00 0.00 O ATOM 0 H GLY A 49 1.308 7.851 -8.548 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.932 6.335 -9.293 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.493 5.469 -9.831 1.00 0.00 H new ATOM 711 N TYR A 50 0.295 4.376 -7.548 1.00 0.00 N ATOM 712 CA TYR A 50 0.483 3.756 -6.241 1.00 0.00 C ATOM 713 C TYR A 50 1.135 2.384 -6.378 1.00 0.00 C ATOM 714 O TYR A 50 1.256 1.849 -7.480 1.00 0.00 O ATOM 715 CB TYR A 50 -0.859 3.625 -5.518 1.00 0.00 C ATOM 716 CG TYR A 50 -1.351 4.921 -4.915 1.00 0.00 C ATOM 717 CD1 TYR A 50 -0.823 5.399 -3.721 1.00 0.00 C ATOM 718 CD2 TYR A 50 -2.343 5.669 -5.537 1.00 0.00 C ATOM 719 CE1 TYR A 50 -1.270 6.582 -3.165 1.00 0.00 C ATOM 720 CE2 TYR A 50 -2.794 6.854 -4.990 1.00 0.00 C ATOM 721 CZ TYR A 50 -2.255 7.306 -3.804 1.00 0.00 C ATOM 722 OH TYR A 50 -2.703 8.486 -3.255 1.00 0.00 O ATOM 0 H TYR A 50 0.119 3.717 -8.306 1.00 0.00 H new ATOM 0 HA TYR A 50 1.143 4.395 -5.655 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.606 3.254 -6.220 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.766 2.879 -4.729 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.050 4.836 -3.219 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.769 5.317 -6.465 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.851 6.938 -2.236 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.565 7.424 -5.488 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.641 8.625 -3.500 1.00 0.00 H new ATOM 732 N SER A 51 1.554 1.820 -5.249 1.00 0.00 N ATOM 733 CA SER A 51 2.198 0.512 -5.242 1.00 0.00 C ATOM 734 C SER A 51 1.742 -0.311 -4.040 1.00 0.00 C ATOM 735 O SER A 51 1.869 0.120 -2.894 1.00 0.00 O ATOM 736 CB SER A 51 3.719 0.668 -5.219 1.00 0.00 C ATOM 737 OG SER A 51 4.363 -0.588 -5.338 1.00 0.00 O ATOM 0 H SER A 51 1.459 2.248 -4.328 1.00 0.00 H new ATOM 0 HA SER A 51 1.908 -0.013 -6.152 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.033 1.320 -6.034 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.024 1.150 -4.290 1.00 0.00 H new ATOM 0 HG SER A 51 5.335 -0.460 -5.322 1.00 0.00 H new ATOM 743 N VAL A 52 1.211 -1.499 -4.311 1.00 0.00 N ATOM 744 CA VAL A 52 0.736 -2.384 -3.254 1.00 0.00 C ATOM 745 C VAL A 52 1.525 -3.688 -3.234 1.00 0.00 C ATOM 746 O VAL A 52 1.272 -4.589 -4.033 1.00 0.00 O ATOM 747 CB VAL A 52 -0.761 -2.704 -3.420 1.00 0.00 C ATOM 748 CG1 VAL A 52 -1.279 -3.476 -2.215 1.00 0.00 C ATOM 749 CG2 VAL A 52 -1.559 -1.426 -3.627 1.00 0.00 C ATOM 0 H VAL A 52 1.099 -1.871 -5.254 1.00 0.00 H new ATOM 0 HA VAL A 52 0.884 -1.859 -2.311 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.885 -3.330 -4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.339 -3.693 -2.350 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.727 -4.411 -2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.143 -2.878 -1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.615 -1.671 -3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.430 -0.773 -2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.205 -0.917 -4.523 1.00 0.00 H new ATOM 759 N GLU A 53 2.481 -3.782 -2.315 1.00 0.00 N ATOM 760 CA GLU A 53 3.307 -4.977 -2.192 1.00 0.00 C ATOM 761 C GLU A 53 2.769 -5.901 -1.103 1.00 0.00 C ATOM 762 O GLU A 53 2.707 -5.526 0.068 1.00 0.00 O ATOM 763 CB GLU A 53 4.755 -4.594 -1.882 1.00 0.00 C ATOM 764 CG GLU A 53 5.588 -4.307 -3.120 1.00 0.00 C ATOM 765 CD GLU A 53 6.903 -3.626 -2.794 1.00 0.00 C ATOM 766 OE1 GLU A 53 6.869 -2.520 -2.214 1.00 0.00 O ATOM 767 OE2 GLU A 53 7.965 -4.198 -3.117 1.00 0.00 O ATOM 0 H GLU A 53 2.702 -3.045 -1.645 1.00 0.00 H new ATOM 0 HA GLU A 53 3.275 -5.508 -3.143 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.759 -3.713 -1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.223 -5.402 -1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.787 -5.242 -3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.016 -3.676 -3.800 1.00 0.00 H new ATOM 774 N TYR A 54 2.380 -7.108 -1.498 1.00 0.00 N ATOM 775 CA TYR A 54 1.844 -8.084 -0.557 1.00 0.00 C ATOM 776 C TYR A 54 2.567 -9.421 -0.688 1.00 0.00 C ATOM 777 O TYR A 54 2.889 -9.859 -1.793 1.00 0.00 O ATOM 778 CB TYR A 54 0.345 -8.278 -0.789 1.00 0.00 C ATOM 779 CG TYR A 54 0.021 -9.034 -2.058 1.00 0.00 C ATOM 780 CD1 TYR A 54 -0.144 -8.367 -3.265 1.00 0.00 C ATOM 781 CD2 TYR A 54 -0.119 -10.417 -2.049 1.00 0.00 C ATOM 782 CE1 TYR A 54 -0.440 -9.055 -4.426 1.00 0.00 C ATOM 783 CE2 TYR A 54 -0.414 -11.113 -3.205 1.00 0.00 C ATOM 784 CZ TYR A 54 -0.574 -10.427 -4.391 1.00 0.00 C ATOM 785 OH TYR A 54 -0.868 -11.116 -5.546 1.00 0.00 O ATOM 0 H TYR A 54 2.426 -7.434 -2.463 1.00 0.00 H new ATOM 0 HA TYR A 54 2.002 -7.703 0.452 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.079 -8.813 0.061 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.138 -7.301 -0.825 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.039 -7.293 -3.297 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.005 -10.957 -1.122 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.566 -8.521 -5.356 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.519 -12.188 -3.180 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.927 -12.074 -5.349 1.00 0.00 H new ATOM 795 N GLN A 55 2.819 -10.064 0.447 1.00 0.00 N ATOM 796 CA GLN A 55 3.504 -11.352 0.460 1.00 0.00 C ATOM 797 C GLN A 55 3.232 -12.100 1.761 1.00 0.00 C ATOM 798 O GLN A 55 2.928 -11.492 2.788 1.00 0.00 O ATOM 799 CB GLN A 55 5.009 -11.154 0.276 1.00 0.00 C ATOM 800 CG GLN A 55 5.737 -10.795 1.562 1.00 0.00 C ATOM 801 CD GLN A 55 7.148 -10.299 1.315 1.00 0.00 C ATOM 802 OE1 GLN A 55 7.466 -9.139 1.579 1.00 0.00 O ATOM 803 NE2 GLN A 55 8.004 -11.178 0.807 1.00 0.00 N ATOM 0 H GLN A 55 2.559 -9.715 1.370 1.00 0.00 H new ATOM 0 HA GLN A 55 3.120 -11.949 -0.367 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.440 -12.068 -0.133 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.176 -10.366 -0.459 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.173 -10.027 2.092 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.772 -11.670 2.212 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.697 -12.129 0.603 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.968 -10.902 0.620 1.00 0.00 H new ATOM 812 N LEU A 56 3.342 -13.423 1.710 1.00 0.00 N ATOM 813 CA LEU A 56 3.108 -14.256 2.885 1.00 0.00 C ATOM 814 C LEU A 56 3.869 -13.719 4.093 1.00 0.00 C ATOM 815 O LEU A 56 5.085 -13.532 4.040 1.00 0.00 O ATOM 816 CB LEU A 56 3.527 -15.699 2.603 1.00 0.00 C ATOM 817 CG LEU A 56 2.562 -16.525 1.751 1.00 0.00 C ATOM 818 CD1 LEU A 56 3.217 -17.823 1.309 1.00 0.00 C ATOM 819 CD2 LEU A 56 1.280 -16.807 2.521 1.00 0.00 C ATOM 0 H LEU A 56 3.592 -13.942 0.868 1.00 0.00 H new ATOM 0 HA LEU A 56 2.042 -14.232 3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.497 -15.684 2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.665 -16.209 3.556 1.00 0.00 H new ATOM 0 HG LEU A 56 2.309 -15.949 0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.515 -18.397 0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.106 -17.600 0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.500 -18.405 2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.605 -17.396 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.515 -17.363 3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.800 -15.865 2.787 1.00 0.00 H new ATOM 831 N LEU A 57 3.147 -13.477 5.181 1.00 0.00 N ATOM 832 CA LEU A 57 3.754 -12.965 6.404 1.00 0.00 C ATOM 833 C LEU A 57 5.011 -13.753 6.760 1.00 0.00 C ATOM 834 O LEU A 57 6.092 -13.185 6.902 1.00 0.00 O ATOM 835 CB LEU A 57 2.754 -13.029 7.560 1.00 0.00 C ATOM 836 CG LEU A 57 2.989 -12.044 8.706 1.00 0.00 C ATOM 837 CD1 LEU A 57 2.720 -10.619 8.249 1.00 0.00 C ATOM 838 CD2 LEU A 57 2.113 -12.398 9.900 1.00 0.00 C ATOM 0 H LEU A 57 2.140 -13.627 5.241 1.00 0.00 H new ATOM 0 HA LEU A 57 4.035 -11.926 6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.755 -12.858 7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.765 -14.040 7.968 1.00 0.00 H new ATOM 0 HG LEU A 57 4.033 -12.114 9.012 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.892 -9.932 9.078 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.389 -10.369 7.425 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.686 -10.533 7.916 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.293 -11.687 10.707 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.064 -12.356 9.607 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.354 -13.404 10.243 1.00 0.00 H new ATOM 850 N ASN A 58 4.859 -15.066 6.900 1.00 0.00 N ATOM 851 CA ASN A 58 5.982 -15.933 7.237 1.00 0.00 C ATOM 852 C ASN A 58 7.162 -15.684 6.302 1.00 0.00 C ATOM 853 O ASN A 58 8.310 -15.612 6.740 1.00 0.00 O ATOM 854 CB ASN A 58 5.560 -17.402 7.162 1.00 0.00 C ATOM 855 CG ASN A 58 4.796 -17.720 5.891 1.00 0.00 C ATOM 856 OD1 ASN A 58 5.376 -17.799 4.808 1.00 0.00 O ATOM 857 ND2 ASN A 58 3.487 -17.903 6.018 1.00 0.00 N ATOM 0 H ASN A 58 3.970 -15.552 6.785 1.00 0.00 H new ATOM 0 HA ASN A 58 6.293 -15.702 8.256 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.446 -18.035 7.218 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.940 -17.644 8.025 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.920 -18.119 5.198 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.048 -17.828 6.936 1.00 0.00 H new ATOM 864 N GLY A 59 6.870 -15.552 5.012 1.00 0.00 N ATOM 865 CA GLY A 59 7.917 -15.311 4.036 1.00 0.00 C ATOM 866 C GLY A 59 7.759 -16.166 2.794 1.00 0.00 C ATOM 867 O GLY A 59 7.721 -17.393 2.878 1.00 0.00 O ATOM 0 H GLY A 59 5.928 -15.608 4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.910 -14.259 3.752 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.887 -15.512 4.491 1.00 0.00 H new ATOM 871 N GLY A 60 7.667 -15.517 1.637 1.00 0.00 N ATOM 872 CA GLY A 60 7.512 -16.242 0.390 1.00 0.00 C ATOM 873 C GLY A 60 7.523 -15.326 -0.818 1.00 0.00 C ATOM 874 O GLY A 60 8.015 -14.200 -0.747 1.00 0.00 O ATOM 0 H GLY A 60 7.697 -14.502 1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.315 -16.972 0.296 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.575 -16.799 0.411 1.00 0.00 H new ATOM 878 N GLU A 61 6.980 -15.810 -1.931 1.00 0.00 N ATOM 879 CA GLU A 61 6.933 -15.027 -3.160 1.00 0.00 C ATOM 880 C GLU A 61 6.266 -13.676 -2.919 1.00 0.00 C ATOM 881 O GLU A 61 5.143 -13.605 -2.417 1.00 0.00 O ATOM 882 CB GLU A 61 6.179 -15.792 -4.250 1.00 0.00 C ATOM 883 CG GLU A 61 6.037 -15.019 -5.550 1.00 0.00 C ATOM 884 CD GLU A 61 5.064 -15.670 -6.513 1.00 0.00 C ATOM 885 OE1 GLU A 61 4.009 -16.155 -6.054 1.00 0.00 O ATOM 886 OE2 GLU A 61 5.358 -15.694 -7.727 1.00 0.00 O ATOM 0 H GLU A 61 6.567 -16.740 -2.007 1.00 0.00 H new ATOM 0 HA GLU A 61 7.958 -14.854 -3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.698 -16.729 -4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.187 -16.050 -3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.702 -14.005 -5.331 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.013 -14.936 -6.027 1.00 0.00 H new ATOM 893 N LEU A 62 6.966 -12.605 -3.278 1.00 0.00 N ATOM 894 CA LEU A 62 6.443 -11.255 -3.101 1.00 0.00 C ATOM 895 C LEU A 62 5.675 -10.801 -4.339 1.00 0.00 C ATOM 896 O LEU A 62 6.095 -11.051 -5.469 1.00 0.00 O ATOM 897 CB LEU A 62 7.585 -10.279 -2.809 1.00 0.00 C ATOM 898 CG LEU A 62 7.298 -8.805 -3.097 1.00 0.00 C ATOM 899 CD1 LEU A 62 6.104 -8.325 -2.288 1.00 0.00 C ATOM 900 CD2 LEU A 62 8.524 -7.955 -2.798 1.00 0.00 C ATOM 0 H LEU A 62 7.897 -12.646 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 62 5.757 -11.266 -2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.860 -10.376 -1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.453 -10.581 -3.395 1.00 0.00 H new ATOM 0 HG LEU A 62 7.058 -8.702 -4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.915 -7.274 -2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.225 -8.914 -2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.314 -8.443 -1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.302 -6.909 -3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.795 -8.064 -1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.355 -8.282 -3.423 1.00 0.00 H new ATOM 912 N HIS A 63 4.549 -10.130 -4.117 1.00 0.00 N ATOM 913 CA HIS A 63 3.724 -9.639 -5.215 1.00 0.00 C ATOM 914 C HIS A 63 3.617 -8.117 -5.175 1.00 0.00 C ATOM 915 O HIS A 63 3.104 -7.546 -4.213 1.00 0.00 O ATOM 916 CB HIS A 63 2.329 -10.261 -5.150 1.00 0.00 C ATOM 917 CG HIS A 63 2.326 -11.746 -5.344 1.00 0.00 C ATOM 918 ND1 HIS A 63 2.062 -12.347 -6.557 1.00 0.00 N ATOM 919 CD2 HIS A 63 2.559 -12.754 -4.470 1.00 0.00 C ATOM 920 CE1 HIS A 63 2.131 -13.659 -6.421 1.00 0.00 C ATOM 921 NE2 HIS A 63 2.431 -13.932 -5.164 1.00 0.00 N ATOM 0 H HIS A 63 4.187 -9.914 -3.188 1.00 0.00 H new ATOM 0 HA HIS A 63 4.200 -9.928 -6.152 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.881 -10.028 -4.184 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.700 -9.802 -5.912 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.800 -12.651 -3.422 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.970 -14.385 -7.204 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.549 -14.866 -4.772 1.00 0.00 H new ATOM 929 N ARG A 64 4.106 -7.467 -6.226 1.00 0.00 N ATOM 930 CA ARG A 64 4.067 -6.012 -6.310 1.00 0.00 C ATOM 931 C ARG A 64 3.026 -5.553 -7.326 1.00 0.00 C ATOM 932 O ARG A 64 3.068 -5.944 -8.494 1.00 0.00 O ATOM 933 CB ARG A 64 5.444 -5.465 -6.692 1.00 0.00 C ATOM 934 CG ARG A 64 5.483 -3.952 -6.825 1.00 0.00 C ATOM 935 CD ARG A 64 6.858 -3.465 -7.254 1.00 0.00 C ATOM 936 NE ARG A 64 6.943 -2.007 -7.269 1.00 0.00 N ATOM 937 CZ ARG A 64 7.951 -1.335 -7.814 1.00 0.00 C ATOM 938 NH1 ARG A 64 8.955 -1.987 -8.385 1.00 0.00 N ATOM 939 NH2 ARG A 64 7.956 -0.008 -7.788 1.00 0.00 N ATOM 0 H ARG A 64 4.534 -7.925 -7.031 1.00 0.00 H new ATOM 0 HA ARG A 64 3.788 -5.624 -5.330 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.170 -5.774 -5.940 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.754 -5.912 -7.636 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.739 -3.631 -7.553 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.215 -3.495 -5.872 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.612 -3.865 -6.576 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.086 -3.851 -8.247 1.00 0.00 H new ATOM 0 HE ARG A 64 6.187 -1.476 -6.837 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.954 -3.007 -8.406 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.728 -1.469 -8.803 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.186 0.496 -7.349 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.730 0.507 -8.207 1.00 0.00 H new ATOM 953 N LEU A 65 2.092 -4.723 -6.875 1.00 0.00 N ATOM 954 CA LEU A 65 1.038 -4.212 -7.745 1.00 0.00 C ATOM 955 C LEU A 65 1.199 -2.711 -7.969 1.00 0.00 C ATOM 956 O LEU A 65 1.379 -1.948 -7.022 1.00 0.00 O ATOM 957 CB LEU A 65 -0.336 -4.504 -7.140 1.00 0.00 C ATOM 958 CG LEU A 65 -0.621 -5.967 -6.799 1.00 0.00 C ATOM 959 CD1 LEU A 65 -1.893 -6.084 -5.973 1.00 0.00 C ATOM 960 CD2 LEU A 65 -0.728 -6.800 -8.068 1.00 0.00 C ATOM 0 H LEU A 65 2.043 -4.389 -5.912 1.00 0.00 H new ATOM 0 HA LEU A 65 1.118 -4.716 -8.708 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.444 -3.912 -6.231 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.099 -4.159 -7.838 1.00 0.00 H new ATOM 0 HG LEU A 65 0.210 -6.350 -6.206 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.080 -7.132 -5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.778 -5.521 -5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.733 -5.683 -6.540 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.931 -7.838 -7.806 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.539 -6.417 -8.687 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.209 -6.742 -8.621 1.00 0.00 H new ATOM 972 N ASN A 66 1.129 -2.297 -9.230 1.00 0.00 N ATOM 973 CA ASN A 66 1.265 -0.887 -9.580 1.00 0.00 C ATOM 974 C ASN A 66 -0.069 -0.310 -10.042 1.00 0.00 C ATOM 975 O ASN A 66 -0.846 -0.983 -10.720 1.00 0.00 O ATOM 976 CB ASN A 66 2.317 -0.711 -10.677 1.00 0.00 C ATOM 977 CG ASN A 66 3.688 -1.197 -10.247 1.00 0.00 C ATOM 978 OD1 ASN A 66 3.821 -1.922 -9.261 1.00 0.00 O ATOM 979 ND2 ASN A 66 4.716 -0.798 -10.987 1.00 0.00 N ATOM 0 H ASN A 66 0.979 -2.917 -10.026 1.00 0.00 H new ATOM 0 HA ASN A 66 1.585 -0.347 -8.689 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.004 -1.256 -11.567 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.378 0.342 -10.953 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.662 -1.093 -10.746 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.559 -0.197 -11.796 1.00 0.00 H new ATOM 986 N ILE A 67 -0.328 0.939 -9.670 1.00 0.00 N ATOM 987 CA ILE A 67 -1.567 1.607 -10.048 1.00 0.00 C ATOM 988 C ILE A 67 -1.305 2.727 -11.048 1.00 0.00 C ATOM 989 O ILE A 67 -0.741 3.770 -10.717 1.00 0.00 O ATOM 990 CB ILE A 67 -2.290 2.190 -8.819 1.00 0.00 C ATOM 991 CG1 ILE A 67 -2.222 1.209 -7.647 1.00 0.00 C ATOM 992 CG2 ILE A 67 -3.735 2.518 -9.160 1.00 0.00 C ATOM 993 CD1 ILE A 67 -2.968 -0.084 -7.898 1.00 0.00 C ATOM 0 H ILE A 67 0.304 1.509 -9.107 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.204 0.852 -10.510 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.789 3.112 -8.525 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.178 0.981 -7.434 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.631 1.689 -6.758 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.232 2.929 -8.281 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.761 3.250 -9.967 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.249 1.610 -9.476 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.877 -0.732 -7.026 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.020 0.133 -8.081 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.544 -0.586 -8.768 1.00 0.00 H new ATOM 1005 N PRO A 68 -1.725 2.510 -12.303 1.00 0.00 N ATOM 1006 CA PRO A 68 -1.549 3.491 -13.378 1.00 0.00 C ATOM 1007 C PRO A 68 -2.431 4.720 -13.192 1.00 0.00 C ATOM 1008 O PRO A 68 -2.458 5.611 -14.039 1.00 0.00 O ATOM 1009 CB PRO A 68 -1.965 2.720 -14.634 1.00 0.00 C ATOM 1010 CG PRO A 68 -2.895 1.666 -14.141 1.00 0.00 C ATOM 1011 CD PRO A 68 -2.405 1.290 -12.770 1.00 0.00 C ATOM 0 HA PRO A 68 -0.530 3.876 -13.415 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.455 3.374 -15.356 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.101 2.283 -15.135 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.919 2.037 -14.101 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.894 0.803 -14.806 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.228 1.012 -12.112 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.724 0.439 -12.806 1.00 0.00 H new ATOM 1019 N ASN A 69 -3.153 4.761 -12.076 1.00 0.00 N ATOM 1020 CA ASN A 69 -4.037 5.882 -11.778 1.00 0.00 C ATOM 1021 C ASN A 69 -3.780 6.420 -10.374 1.00 0.00 C ATOM 1022 O ASN A 69 -3.987 5.734 -9.372 1.00 0.00 O ATOM 1023 CB ASN A 69 -5.500 5.455 -11.913 1.00 0.00 C ATOM 1024 CG ASN A 69 -6.439 6.639 -12.033 1.00 0.00 C ATOM 1025 OD1 ASN A 69 -6.072 7.686 -12.567 1.00 0.00 O ATOM 1026 ND2 ASN A 69 -7.660 6.478 -11.536 1.00 0.00 N ATOM 0 H ASN A 69 -3.143 4.031 -11.364 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.830 6.676 -12.495 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.610 4.817 -12.790 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.783 4.857 -11.047 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.336 7.240 -11.588 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.921 5.593 -11.102 1.00 0.00 H new ATOM 1033 N PRO A 70 -3.318 7.677 -10.296 1.00 0.00 N ATOM 1034 CA PRO A 70 -3.024 8.335 -9.020 1.00 0.00 C ATOM 1035 C PRO A 70 -4.286 8.646 -8.223 1.00 0.00 C ATOM 1036 O PRO A 70 -4.215 9.092 -7.079 1.00 0.00 O ATOM 1037 CB PRO A 70 -2.326 9.630 -9.442 1.00 0.00 C ATOM 1038 CG PRO A 70 -2.826 9.900 -10.819 1.00 0.00 C ATOM 1039 CD PRO A 70 -3.048 8.553 -11.449 1.00 0.00 C ATOM 0 HA PRO A 70 -2.423 7.704 -8.365 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.569 10.449 -8.765 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.242 9.517 -9.430 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.751 10.476 -10.793 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.103 10.484 -11.389 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.886 8.569 -12.146 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.173 8.222 -12.009 1.00 0.00 H new ATOM 1047 N ALA A 71 -5.441 8.406 -8.836 1.00 0.00 N ATOM 1048 CA ALA A 71 -6.720 8.658 -8.183 1.00 0.00 C ATOM 1049 C ALA A 71 -7.259 7.392 -7.525 1.00 0.00 C ATOM 1050 O ALA A 71 -7.963 7.457 -6.518 1.00 0.00 O ATOM 1051 CB ALA A 71 -7.726 9.204 -9.185 1.00 0.00 C ATOM 0 H ALA A 71 -5.517 8.037 -9.784 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.561 9.402 -7.403 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.676 9.387 -8.683 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.351 10.137 -9.605 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.872 8.479 -9.986 1.00 0.00 H new ATOM 1057 N GLN A 72 -6.923 6.242 -8.101 1.00 0.00 N ATOM 1058 CA GLN A 72 -7.376 4.962 -7.570 1.00 0.00 C ATOM 1059 C GLN A 72 -6.631 4.611 -6.286 1.00 0.00 C ATOM 1060 O GLN A 72 -5.498 4.129 -6.324 1.00 0.00 O ATOM 1061 CB GLN A 72 -7.175 3.856 -8.608 1.00 0.00 C ATOM 1062 CG GLN A 72 -7.340 2.454 -8.043 1.00 0.00 C ATOM 1063 CD GLN A 72 -6.790 1.385 -8.966 1.00 0.00 C ATOM 1064 OE1 GLN A 72 -6.750 1.560 -10.184 1.00 0.00 O ATOM 1065 NE2 GLN A 72 -6.362 0.268 -8.390 1.00 0.00 N ATOM 0 H GLN A 72 -6.339 6.171 -8.934 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.438 5.048 -7.341 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.888 3.998 -9.420 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.178 3.950 -9.039 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.834 2.393 -7.080 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.397 2.262 -7.860 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.414 0.165 -7.377 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.982 -0.487 -8.961 1.00 0.00 H new ATOM 1074 N THR A 73 -7.274 4.857 -5.149 1.00 0.00 N ATOM 1075 CA THR A 73 -6.673 4.569 -3.853 1.00 0.00 C ATOM 1076 C THR A 73 -7.164 3.234 -3.303 1.00 0.00 C ATOM 1077 O THR A 73 -7.357 3.083 -2.097 1.00 0.00 O ATOM 1078 CB THR A 73 -6.983 5.678 -2.830 1.00 0.00 C ATOM 1079 OG1 THR A 73 -8.399 5.812 -2.668 1.00 0.00 O ATOM 1080 CG2 THR A 73 -6.391 7.006 -3.277 1.00 0.00 C ATOM 0 H THR A 73 -8.212 5.255 -5.100 1.00 0.00 H new ATOM 0 HA THR A 73 -5.595 4.520 -4.009 1.00 0.00 H new ATOM 0 HB THR A 73 -6.533 5.400 -1.877 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.588 6.518 -2.015 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.623 7.774 -2.539 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.310 6.909 -3.372 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.816 7.288 -4.240 1.00 0.00 H new ATOM 1088 N SER A 74 -7.364 2.269 -4.195 1.00 0.00 N ATOM 1089 CA SER A 74 -7.836 0.948 -3.799 1.00 0.00 C ATOM 1090 C SER A 74 -7.618 -0.065 -4.918 1.00 0.00 C ATOM 1091 O SER A 74 -7.869 0.222 -6.089 1.00 0.00 O ATOM 1092 CB SER A 74 -9.319 1.003 -3.427 1.00 0.00 C ATOM 1093 OG SER A 74 -9.668 2.275 -2.909 1.00 0.00 O ATOM 0 H SER A 74 -7.206 2.378 -5.197 1.00 0.00 H new ATOM 0 HA SER A 74 -7.262 0.631 -2.928 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.926 0.786 -4.306 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.541 0.233 -2.688 1.00 0.00 H new ATOM 0 HG SER A 74 -10.624 2.290 -2.695 1.00 0.00 H new ATOM 1099 N VAL A 75 -7.149 -1.253 -4.550 1.00 0.00 N ATOM 1100 CA VAL A 75 -6.898 -2.311 -5.521 1.00 0.00 C ATOM 1101 C VAL A 75 -7.402 -3.656 -5.012 1.00 0.00 C ATOM 1102 O VAL A 75 -7.363 -3.932 -3.813 1.00 0.00 O ATOM 1103 CB VAL A 75 -5.397 -2.427 -5.849 1.00 0.00 C ATOM 1104 CG1 VAL A 75 -4.601 -2.756 -4.595 1.00 0.00 C ATOM 1105 CG2 VAL A 75 -5.167 -3.476 -6.927 1.00 0.00 C ATOM 0 H VAL A 75 -6.935 -1.507 -3.586 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.441 -2.044 -6.428 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.050 -1.466 -6.229 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.543 -2.834 -4.846 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.742 -1.966 -3.857 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.947 -3.704 -4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.102 -3.545 -7.146 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.529 -4.443 -6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.706 -3.193 -7.831 1.00 0.00 H new ATOM 1115 N VAL A 76 -7.874 -4.492 -5.931 1.00 0.00 N ATOM 1116 CA VAL A 76 -8.384 -5.811 -5.576 1.00 0.00 C ATOM 1117 C VAL A 76 -7.314 -6.882 -5.757 1.00 0.00 C ATOM 1118 O VAL A 76 -6.808 -7.089 -6.860 1.00 0.00 O ATOM 1119 CB VAL A 76 -9.616 -6.183 -6.423 1.00 0.00 C ATOM 1120 CG1 VAL A 76 -10.066 -7.603 -6.115 1.00 0.00 C ATOM 1121 CG2 VAL A 76 -10.745 -5.193 -6.183 1.00 0.00 C ATOM 0 H VAL A 76 -7.914 -4.279 -6.928 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.674 -5.766 -4.526 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.340 -6.136 -7.476 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.937 -7.848 -6.722 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.258 -8.298 -6.342 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -10.326 -7.681 -5.059 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -11.607 -5.471 -6.789 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -11.023 -5.206 -5.129 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.415 -4.191 -6.459 1.00 0.00 H new ATOM 1131 N VAL A 77 -6.973 -7.560 -4.666 1.00 0.00 N ATOM 1132 CA VAL A 77 -5.964 -8.612 -4.705 1.00 0.00 C ATOM 1133 C VAL A 77 -6.609 -9.993 -4.721 1.00 0.00 C ATOM 1134 O VAL A 77 -7.424 -10.318 -3.858 1.00 0.00 O ATOM 1135 CB VAL A 77 -5.009 -8.518 -3.500 1.00 0.00 C ATOM 1136 CG1 VAL A 77 -3.952 -9.609 -3.569 1.00 0.00 C ATOM 1137 CG2 VAL A 77 -4.363 -7.142 -3.438 1.00 0.00 C ATOM 0 H VAL A 77 -7.380 -7.400 -3.745 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.394 -8.470 -5.623 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.588 -8.664 -2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.287 -9.526 -2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.436 -10.586 -3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.374 -9.498 -4.487 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.692 -7.094 -2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.797 -6.964 -4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.137 -6.381 -3.336 1.00 0.00 H new ATOM 1147 N GLU A 78 -6.238 -10.802 -5.708 1.00 0.00 N ATOM 1148 CA GLU A 78 -6.782 -12.149 -5.836 1.00 0.00 C ATOM 1149 C GLU A 78 -5.664 -13.173 -6.011 1.00 0.00 C ATOM 1150 O GLU A 78 -4.482 -12.836 -5.934 1.00 0.00 O ATOM 1151 CB GLU A 78 -7.745 -12.223 -7.023 1.00 0.00 C ATOM 1152 CG GLU A 78 -8.964 -11.328 -6.873 1.00 0.00 C ATOM 1153 CD GLU A 78 -10.064 -11.671 -7.859 1.00 0.00 C ATOM 1154 OE1 GLU A 78 -10.889 -12.553 -7.543 1.00 0.00 O ATOM 1155 OE2 GLU A 78 -10.100 -11.058 -8.946 1.00 0.00 O ATOM 0 H GLU A 78 -5.564 -10.549 -6.430 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.325 -12.382 -4.920 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.211 -11.946 -7.932 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.075 -13.254 -7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.351 -11.415 -5.858 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.667 -10.289 -7.013 1.00 0.00 H new ATOM 1162 N ASP A 79 -6.046 -14.423 -6.246 1.00 0.00 N ATOM 1163 CA ASP A 79 -5.077 -15.497 -6.431 1.00 0.00 C ATOM 1164 C ASP A 79 -4.221 -15.679 -5.182 1.00 0.00 C ATOM 1165 O ASP A 79 -2.993 -15.742 -5.261 1.00 0.00 O ATOM 1166 CB ASP A 79 -4.184 -15.204 -7.638 1.00 0.00 C ATOM 1167 CG ASP A 79 -4.804 -15.664 -8.943 1.00 0.00 C ATOM 1168 OD1 ASP A 79 -5.962 -15.286 -9.215 1.00 0.00 O ATOM 1169 OD2 ASP A 79 -4.132 -16.404 -9.691 1.00 0.00 O ATOM 0 H ASP A 79 -7.020 -14.718 -6.313 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.626 -16.421 -6.610 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.988 -14.133 -7.690 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.222 -15.698 -7.503 1.00 0.00 H new ATOM 1174 N LEU A 80 -4.876 -15.761 -4.029 1.00 0.00 N ATOM 1175 CA LEU A 80 -4.175 -15.935 -2.762 1.00 0.00 C ATOM 1176 C LEU A 80 -4.424 -17.326 -2.188 1.00 0.00 C ATOM 1177 O LEU A 80 -5.074 -18.162 -2.817 1.00 0.00 O ATOM 1178 CB LEU A 80 -4.623 -14.870 -1.759 1.00 0.00 C ATOM 1179 CG LEU A 80 -4.506 -13.418 -2.225 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -5.577 -12.560 -1.570 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -3.120 -12.870 -1.919 1.00 0.00 C ATOM 0 H LEU A 80 -5.891 -15.710 -3.946 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.107 -15.825 -2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.663 -15.063 -1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.035 -14.987 -0.848 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.656 -13.389 -3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.478 -11.530 -1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.563 -12.940 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.459 -12.594 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.055 -11.836 -2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.941 -12.912 -0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.370 -13.469 -2.436 1.00 0.00 H new ATOM 1193 N LEU A 81 -3.903 -17.568 -0.990 1.00 0.00 N ATOM 1194 CA LEU A 81 -4.070 -18.858 -0.329 1.00 0.00 C ATOM 1195 C LEU A 81 -4.974 -18.731 0.893 1.00 0.00 C ATOM 1196 O LEU A 81 -4.875 -17.783 1.673 1.00 0.00 O ATOM 1197 CB LEU A 81 -2.710 -19.421 0.085 1.00 0.00 C ATOM 1198 CG LEU A 81 -1.807 -19.901 -1.053 1.00 0.00 C ATOM 1199 CD1 LEU A 81 -0.383 -20.099 -0.558 1.00 0.00 C ATOM 1200 CD2 LEU A 81 -2.349 -21.188 -1.656 1.00 0.00 C ATOM 0 H LEU A 81 -3.361 -16.888 -0.456 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.540 -19.542 -1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.177 -18.653 0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.877 -20.255 0.766 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.795 -19.136 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.244 -20.440 -1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.004 -19.155 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.375 -20.844 0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.694 -21.515 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.391 -21.960 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.350 -21.012 -2.049 1.00 0.00 H new ATOM 1212 N PRO A 82 -5.876 -19.708 1.067 1.00 0.00 N ATOM 1213 CA PRO A 82 -6.812 -19.729 2.194 1.00 0.00 C ATOM 1214 C PRO A 82 -6.115 -20.003 3.523 1.00 0.00 C ATOM 1215 O PRO A 82 -5.158 -20.773 3.585 1.00 0.00 O ATOM 1216 CB PRO A 82 -7.763 -20.877 1.844 1.00 0.00 C ATOM 1217 CG PRO A 82 -6.968 -21.770 0.955 1.00 0.00 C ATOM 1218 CD PRO A 82 -6.050 -20.868 0.177 1.00 0.00 C ATOM 0 HA PRO A 82 -7.310 -18.769 2.327 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.095 -21.403 2.739 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.657 -20.511 1.340 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.401 -22.496 1.537 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.618 -22.335 0.287 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -5.099 -21.354 -0.040 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.486 -20.579 -0.779 1.00 0.00 H new ATOM 1226 N ASN A 83 -6.601 -19.366 4.583 1.00 0.00 N ATOM 1227 CA ASN A 83 -6.024 -19.541 5.911 1.00 0.00 C ATOM 1228 C ASN A 83 -4.530 -19.231 5.900 1.00 0.00 C ATOM 1229 O ASN A 83 -3.724 -19.984 6.447 1.00 0.00 O ATOM 1230 CB ASN A 83 -6.255 -20.970 6.406 1.00 0.00 C ATOM 1231 CG ASN A 83 -7.683 -21.200 6.862 1.00 0.00 C ATOM 1232 OD1 ASN A 83 -7.923 -21.740 7.942 1.00 0.00 O ATOM 1233 ND2 ASN A 83 -8.640 -20.791 6.037 1.00 0.00 N ATOM 0 H ASN A 83 -7.393 -18.724 4.548 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.517 -18.844 6.589 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.014 -21.672 5.607 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.575 -21.180 7.231 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.620 -20.920 6.289 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.395 -20.348 5.151 1.00 0.00 H new ATOM 1240 N HIS A 84 -4.168 -18.115 5.274 1.00 0.00 N ATOM 1241 CA HIS A 84 -2.771 -17.704 5.192 1.00 0.00 C ATOM 1242 C HIS A 84 -2.642 -16.190 5.332 1.00 0.00 C ATOM 1243 O HIS A 84 -3.308 -15.432 4.626 1.00 0.00 O ATOM 1244 CB HIS A 84 -2.160 -18.159 3.867 1.00 0.00 C ATOM 1245 CG HIS A 84 -1.734 -19.595 3.865 1.00 0.00 C ATOM 1246 ND1 HIS A 84 -2.628 -20.645 3.847 1.00 0.00 N ATOM 1247 CD2 HIS A 84 -0.501 -20.153 3.879 1.00 0.00 C ATOM 1248 CE1 HIS A 84 -1.963 -21.786 3.851 1.00 0.00 C ATOM 1249 NE2 HIS A 84 -0.670 -21.515 3.870 1.00 0.00 N ATOM 0 H HIS A 84 -4.822 -17.480 4.817 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.230 -18.175 6.013 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.886 -18.003 3.069 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.297 -17.532 3.640 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -3.644 -20.554 3.833 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.441 -19.625 3.894 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.402 -22.773 3.841 1.00 0.00 H new ATOM 1257 N SER A 85 -1.782 -15.756 6.248 1.00 0.00 N ATOM 1258 CA SER A 85 -1.569 -14.333 6.484 1.00 0.00 C ATOM 1259 C SER A 85 -0.823 -13.695 5.316 1.00 0.00 C ATOM 1260 O SER A 85 -0.181 -14.384 4.524 1.00 0.00 O ATOM 1261 CB SER A 85 -0.786 -14.121 7.781 1.00 0.00 C ATOM 1262 OG SER A 85 0.403 -14.892 7.790 1.00 0.00 O ATOM 0 H SER A 85 -1.221 -16.370 6.839 1.00 0.00 H new ATOM 0 HA SER A 85 -2.544 -13.855 6.575 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.539 -13.065 7.892 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.407 -14.395 8.634 1.00 0.00 H new ATOM 0 HG SER A 85 0.804 -14.865 8.684 1.00 0.00 H new ATOM 1268 N TYR A 86 -0.915 -12.373 5.216 1.00 0.00 N ATOM 1269 CA TYR A 86 -0.251 -11.640 4.144 1.00 0.00 C ATOM 1270 C TYR A 86 -0.005 -10.190 4.547 1.00 0.00 C ATOM 1271 O TYR A 86 -0.936 -9.463 4.895 1.00 0.00 O ATOM 1272 CB TYR A 86 -1.092 -11.691 2.867 1.00 0.00 C ATOM 1273 CG TYR A 86 -0.939 -12.980 2.092 1.00 0.00 C ATOM 1274 CD1 TYR A 86 0.152 -13.188 1.258 1.00 0.00 C ATOM 1275 CD2 TYR A 86 -1.887 -13.992 2.195 1.00 0.00 C ATOM 1276 CE1 TYR A 86 0.295 -14.364 0.548 1.00 0.00 C ATOM 1277 CE2 TYR A 86 -1.751 -15.172 1.489 1.00 0.00 C ATOM 1278 CZ TYR A 86 -0.659 -15.353 0.667 1.00 0.00 C ATOM 1279 OH TYR A 86 -0.519 -16.527 -0.038 1.00 0.00 O ATOM 0 H TYR A 86 -1.442 -11.788 5.864 1.00 0.00 H new ATOM 0 HA TYR A 86 0.712 -12.114 3.956 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.142 -11.556 3.128 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.813 -10.856 2.225 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.902 -12.417 1.163 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.744 -13.853 2.838 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.149 -14.508 -0.097 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.496 -15.948 1.581 1.00 0.00 H new ATOM 0 HH TYR A 86 0.433 -16.719 -0.168 1.00 0.00 H new ATOM 1289 N VAL A 87 1.256 -9.774 4.496 1.00 0.00 N ATOM 1290 CA VAL A 87 1.627 -8.410 4.853 1.00 0.00 C ATOM 1291 C VAL A 87 1.472 -7.469 3.664 1.00 0.00 C ATOM 1292 O VAL A 87 2.293 -7.469 2.747 1.00 0.00 O ATOM 1293 CB VAL A 87 3.078 -8.338 5.365 1.00 0.00 C ATOM 1294 CG1 VAL A 87 4.043 -8.848 4.306 1.00 0.00 C ATOM 1295 CG2 VAL A 87 3.428 -6.916 5.776 1.00 0.00 C ATOM 0 H VAL A 87 2.039 -10.363 4.211 1.00 0.00 H new ATOM 0 HA VAL A 87 0.953 -8.097 5.650 1.00 0.00 H new ATOM 0 HB VAL A 87 3.168 -8.978 6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.063 -8.790 4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.804 -9.884 4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.954 -8.237 3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.457 -6.884 6.135 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.322 -6.253 4.918 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.756 -6.591 6.570 1.00 0.00 H new ATOM 1305 N PHE A 88 0.413 -6.666 3.686 1.00 0.00 N ATOM 1306 CA PHE A 88 0.149 -5.719 2.610 1.00 0.00 C ATOM 1307 C PHE A 88 0.737 -4.349 2.934 1.00 0.00 C ATOM 1308 O PHE A 88 0.352 -3.712 3.914 1.00 0.00 O ATOM 1309 CB PHE A 88 -1.357 -5.595 2.368 1.00 0.00 C ATOM 1310 CG PHE A 88 -1.942 -6.760 1.622 1.00 0.00 C ATOM 1311 CD1 PHE A 88 -2.193 -7.959 2.270 1.00 0.00 C ATOM 1312 CD2 PHE A 88 -2.243 -6.656 0.274 1.00 0.00 C ATOM 1313 CE1 PHE A 88 -2.730 -9.033 1.585 1.00 0.00 C ATOM 1314 CE2 PHE A 88 -2.781 -7.726 -0.416 1.00 0.00 C ATOM 1315 CZ PHE A 88 -3.026 -8.916 0.241 1.00 0.00 C ATOM 0 H PHE A 88 -0.276 -6.653 4.438 1.00 0.00 H new ATOM 0 HA PHE A 88 0.626 -6.095 1.705 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.864 -5.497 3.328 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.553 -4.680 1.809 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.967 -8.055 3.322 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.055 -5.727 -0.244 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -2.918 -9.963 2.101 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.009 -7.632 -1.467 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.448 -9.753 -0.295 1.00 0.00 H new ATOM 1325 N ARG A 89 1.673 -3.902 2.103 1.00 0.00 N ATOM 1326 CA ARG A 89 2.317 -2.609 2.301 1.00 0.00 C ATOM 1327 C ARG A 89 2.017 -1.668 1.138 1.00 0.00 C ATOM 1328 O ARG A 89 2.576 -1.811 0.050 1.00 0.00 O ATOM 1329 CB ARG A 89 3.829 -2.786 2.451 1.00 0.00 C ATOM 1330 CG ARG A 89 4.226 -3.659 3.630 1.00 0.00 C ATOM 1331 CD ARG A 89 5.737 -3.758 3.766 1.00 0.00 C ATOM 1332 NE ARG A 89 6.132 -4.665 4.840 1.00 0.00 N ATOM 1333 CZ ARG A 89 7.344 -5.200 4.942 1.00 0.00 C ATOM 1334 NH1 ARG A 89 8.274 -4.920 4.040 1.00 0.00 N ATOM 1335 NH2 ARG A 89 7.627 -6.017 5.949 1.00 0.00 N ATOM 0 H ARG A 89 2.002 -4.416 1.286 1.00 0.00 H new ATOM 0 HA ARG A 89 1.917 -2.168 3.214 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.228 -3.223 1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.292 -1.806 2.564 1.00 0.00 H new ATOM 0 HG2 ARG A 89 3.803 -3.248 4.547 1.00 0.00 H new ATOM 0 HG3 ARG A 89 3.805 -4.656 3.504 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.164 -4.104 2.824 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.149 -2.767 3.958 1.00 0.00 H new ATOM 0 HE ARG A 89 5.440 -4.901 5.551 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.060 -4.292 3.265 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.203 -5.332 4.121 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.914 -6.235 6.645 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.558 -6.427 6.027 1.00 0.00 H new ATOM 1349 N VAL A 90 1.130 -0.707 1.374 1.00 0.00 N ATOM 1350 CA VAL A 90 0.756 0.257 0.347 1.00 0.00 C ATOM 1351 C VAL A 90 1.683 1.468 0.365 1.00 0.00 C ATOM 1352 O VAL A 90 1.980 2.018 1.425 1.00 0.00 O ATOM 1353 CB VAL A 90 -0.698 0.735 0.528 1.00 0.00 C ATOM 1354 CG1 VAL A 90 -1.035 1.815 -0.488 1.00 0.00 C ATOM 1355 CG2 VAL A 90 -1.661 -0.437 0.413 1.00 0.00 C ATOM 0 H VAL A 90 0.657 -0.575 2.268 1.00 0.00 H new ATOM 0 HA VAL A 90 0.847 -0.252 -0.612 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.801 1.164 1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.065 2.140 -0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.365 2.664 -0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.917 1.416 -1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.683 -0.082 0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.559 -0.897 -0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.432 -1.173 1.183 1.00 0.00 H new ATOM 1365 N ARG A 91 2.136 1.877 -0.815 1.00 0.00 N ATOM 1366 CA ARG A 91 3.031 3.022 -0.935 1.00 0.00 C ATOM 1367 C ARG A 91 2.565 3.961 -2.043 1.00 0.00 C ATOM 1368 O ARG A 91 1.734 3.595 -2.873 1.00 0.00 O ATOM 1369 CB ARG A 91 4.459 2.553 -1.215 1.00 0.00 C ATOM 1370 CG ARG A 91 5.488 3.671 -1.165 1.00 0.00 C ATOM 1371 CD ARG A 91 6.907 3.124 -1.195 1.00 0.00 C ATOM 1372 NE ARG A 91 7.402 2.812 0.144 1.00 0.00 N ATOM 1373 CZ ARG A 91 8.409 1.979 0.379 1.00 0.00 C ATOM 1374 NH1 ARG A 91 9.026 1.378 -0.628 1.00 0.00 N ATOM 1375 NH2 ARG A 91 8.802 1.747 1.625 1.00 0.00 N ATOM 0 H ARG A 91 1.898 1.433 -1.702 1.00 0.00 H new ATOM 0 HA ARG A 91 3.014 3.566 0.009 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.730 1.788 -0.487 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.492 2.084 -2.198 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.338 4.343 -2.010 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.343 4.260 -0.259 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.936 2.225 -1.811 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.567 3.853 -1.665 1.00 0.00 H new ATOM 0 HE ARG A 91 6.949 3.258 0.942 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.728 1.555 -1.587 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.799 0.739 -0.444 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.330 2.209 2.403 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.576 1.107 1.805 1.00 0.00 H new ATOM 1389 N ALA A 92 3.108 5.175 -2.050 1.00 0.00 N ATOM 1390 CA ALA A 92 2.750 6.166 -3.057 1.00 0.00 C ATOM 1391 C ALA A 92 3.986 6.672 -3.793 1.00 0.00 C ATOM 1392 O ALA A 92 5.098 6.617 -3.268 1.00 0.00 O ATOM 1393 CB ALA A 92 2.005 7.326 -2.414 1.00 0.00 C ATOM 0 H ALA A 92 3.797 5.495 -1.370 1.00 0.00 H new ATOM 0 HA ALA A 92 2.096 5.687 -3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.744 8.059 -3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.096 6.956 -1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.641 7.795 -1.663 1.00 0.00 H new ATOM 1399 N GLN A 93 3.784 7.163 -5.011 1.00 0.00 N ATOM 1400 CA GLN A 93 4.883 7.677 -5.819 1.00 0.00 C ATOM 1401 C GLN A 93 4.539 9.045 -6.399 1.00 0.00 C ATOM 1402 O GLN A 93 3.416 9.276 -6.847 1.00 0.00 O ATOM 1403 CB GLN A 93 5.214 6.700 -6.949 1.00 0.00 C ATOM 1404 CG GLN A 93 6.225 7.242 -7.946 1.00 0.00 C ATOM 1405 CD GLN A 93 6.047 6.660 -9.334 1.00 0.00 C ATOM 1406 OE1 GLN A 93 5.357 7.234 -10.177 1.00 0.00 O ATOM 1407 NE2 GLN A 93 6.669 5.513 -9.579 1.00 0.00 N ATOM 0 H GLN A 93 2.870 7.216 -5.460 1.00 0.00 H new ATOM 0 HA GLN A 93 5.755 7.785 -5.174 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.601 5.777 -6.518 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.296 6.445 -7.478 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.133 8.327 -7.997 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.232 7.023 -7.591 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.231 5.072 -8.851 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.585 5.073 -10.495 1.00 0.00 H new ATOM 1416 N SER A 94 5.514 9.949 -6.388 1.00 0.00 N ATOM 1417 CA SER A 94 5.313 11.296 -6.909 1.00 0.00 C ATOM 1418 C SER A 94 6.494 11.726 -7.774 1.00 0.00 C ATOM 1419 O SER A 94 7.566 11.124 -7.721 1.00 0.00 O ATOM 1420 CB SER A 94 5.120 12.287 -5.759 1.00 0.00 C ATOM 1421 OG SER A 94 6.346 12.542 -5.095 1.00 0.00 O ATOM 0 H SER A 94 6.450 9.773 -6.024 1.00 0.00 H new ATOM 0 HA SER A 94 4.416 11.290 -7.528 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.710 13.221 -6.144 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.394 11.889 -5.050 1.00 0.00 H new ATOM 0 HG SER A 94 6.332 13.447 -4.718 1.00 0.00 H new ATOM 1427 N GLN A 95 6.288 12.772 -8.568 1.00 0.00 N ATOM 1428 CA GLN A 95 7.335 13.282 -9.445 1.00 0.00 C ATOM 1429 C GLN A 95 8.707 13.142 -8.793 1.00 0.00 C ATOM 1430 O GLN A 95 9.674 12.741 -9.440 1.00 0.00 O ATOM 1431 CB GLN A 95 7.070 14.748 -9.792 1.00 0.00 C ATOM 1432 CG GLN A 95 8.229 15.424 -10.506 1.00 0.00 C ATOM 1433 CD GLN A 95 8.096 16.934 -10.536 1.00 0.00 C ATOM 1434 OE1 GLN A 95 7.294 17.483 -11.292 1.00 0.00 O ATOM 1435 NE2 GLN A 95 8.882 17.614 -9.710 1.00 0.00 N ATOM 0 H GLN A 95 5.406 13.282 -8.622 1.00 0.00 H new ATOM 0 HA GLN A 95 7.326 12.692 -10.361 1.00 0.00 H new ATOM 0 HB2 GLN A 95 6.182 14.809 -10.421 1.00 0.00 H new ATOM 0 HB3 GLN A 95 6.850 15.295 -8.876 1.00 0.00 H new ATOM 0 HG2 GLN A 95 9.162 15.155 -10.011 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.290 15.048 -11.527 1.00 0.00 H new ATOM 0 HE21 GLN A 95 9.532 17.118 -9.101 1.00 0.00 H new ATOM 0 HE22 GLN A 95 8.836 18.633 -9.685 1.00 0.00 H new ATOM 1444 N GLU A 96 8.783 13.476 -7.508 1.00 0.00 N ATOM 1445 CA GLU A 96 10.038 13.389 -6.770 1.00 0.00 C ATOM 1446 C GLU A 96 10.516 11.942 -6.680 1.00 0.00 C ATOM 1447 O GLU A 96 11.580 11.596 -7.191 1.00 0.00 O ATOM 1448 CB GLU A 96 9.870 13.971 -5.365 1.00 0.00 C ATOM 1449 CG GLU A 96 9.607 15.467 -5.354 1.00 0.00 C ATOM 1450 CD GLU A 96 10.493 16.223 -6.324 1.00 0.00 C ATOM 1451 OE1 GLU A 96 11.732 16.142 -6.184 1.00 0.00 O ATOM 1452 OE2 GLU A 96 9.948 16.895 -7.224 1.00 0.00 O ATOM 0 H GLU A 96 7.991 13.809 -6.957 1.00 0.00 H new ATOM 0 HA GLU A 96 10.788 13.969 -7.308 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.045 13.462 -4.866 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.770 13.764 -4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.562 15.650 -5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.766 15.852 -4.347 1.00 0.00 H new ATOM 1459 N GLY A 97 9.721 11.102 -6.024 1.00 0.00 N ATOM 1460 CA GLY A 97 10.079 9.704 -5.877 1.00 0.00 C ATOM 1461 C GLY A 97 9.149 8.962 -4.938 1.00 0.00 C ATOM 1462 O GLY A 97 8.111 9.489 -4.538 1.00 0.00 O ATOM 0 H GLY A 97 8.835 11.365 -5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 97 10.062 9.223 -6.855 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.101 9.631 -5.504 1.00 0.00 H new ATOM 1466 N TRP A 98 9.520 7.737 -4.586 1.00 0.00 N ATOM 1467 CA TRP A 98 8.710 6.921 -3.689 1.00 0.00 C ATOM 1468 C TRP A 98 8.868 7.379 -2.243 1.00 0.00 C ATOM 1469 O TRP A 98 9.981 7.448 -1.722 1.00 0.00 O ATOM 1470 CB TRP A 98 9.099 5.447 -3.815 1.00 0.00 C ATOM 1471 CG TRP A 98 8.742 4.850 -5.142 1.00 0.00 C ATOM 1472 CD1 TRP A 98 9.563 4.710 -6.225 1.00 0.00 C ATOM 1473 CD2 TRP A 98 7.472 4.315 -5.528 1.00 0.00 C ATOM 1474 NE1 TRP A 98 8.879 4.120 -7.260 1.00 0.00 N ATOM 1475 CE2 TRP A 98 7.594 3.867 -6.858 1.00 0.00 C ATOM 1476 CE3 TRP A 98 6.243 4.168 -4.878 1.00 0.00 C ATOM 1477 CZ2 TRP A 98 6.534 3.285 -7.547 1.00 0.00 C ATOM 1478 CZ3 TRP A 98 5.192 3.591 -5.564 1.00 0.00 C ATOM 1479 CH2 TRP A 98 5.342 3.154 -6.887 1.00 0.00 C ATOM 0 H TRP A 98 10.377 7.286 -4.908 1.00 0.00 H new ATOM 0 HA TRP A 98 7.665 7.040 -3.976 1.00 0.00 H new ATOM 0 HB2 TRP A 98 10.173 5.347 -3.657 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.606 4.880 -3.025 1.00 0.00 H new ATOM 0 HD1 TRP A 98 10.598 5.018 -6.262 1.00 0.00 H new ATOM 0 HE1 TRP A 98 9.265 3.905 -8.179 1.00 0.00 H new ATOM 0 HE3 TRP A 98 6.118 4.500 -3.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 6.648 2.948 -8.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.238 3.475 -5.072 1.00 0.00 H new ATOM 0 HH2 TRP A 98 4.501 2.705 -7.395 1.00 0.00 H new ATOM 1490 N GLY A 99 7.747 7.692 -1.599 1.00 0.00 N ATOM 1491 CA GLY A 99 7.785 8.140 -0.220 1.00 0.00 C ATOM 1492 C GLY A 99 7.741 6.989 0.765 1.00 0.00 C ATOM 1493 O GLY A 99 8.514 6.038 0.654 1.00 0.00 O ATOM 0 H GLY A 99 6.814 7.643 -2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.692 8.721 -0.055 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.942 8.806 -0.034 1.00 0.00 H new ATOM 1497 N ARG A 100 6.834 7.074 1.733 1.00 0.00 N ATOM 1498 CA ARG A 100 6.694 6.033 2.744 1.00 0.00 C ATOM 1499 C ARG A 100 5.514 5.120 2.423 1.00 0.00 C ATOM 1500 O ARG A 100 4.735 5.394 1.511 1.00 0.00 O ATOM 1501 CB ARG A 100 6.509 6.657 4.128 1.00 0.00 C ATOM 1502 CG ARG A 100 7.814 6.884 4.873 1.00 0.00 C ATOM 1503 CD ARG A 100 7.716 8.070 5.819 1.00 0.00 C ATOM 1504 NE ARG A 100 9.032 8.596 6.175 1.00 0.00 N ATOM 1505 CZ ARG A 100 9.212 9.677 6.926 1.00 0.00 C ATOM 1506 NH1 ARG A 100 8.167 10.343 7.398 1.00 0.00 N ATOM 1507 NH2 ARG A 100 10.440 10.093 7.207 1.00 0.00 N ATOM 0 H ARG A 100 6.185 7.854 1.838 1.00 0.00 H new ATOM 0 HA ARG A 100 7.605 5.435 2.743 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.991 7.610 4.021 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.867 6.010 4.726 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.073 5.988 5.437 1.00 0.00 H new ATOM 0 HG3 ARG A 100 8.618 7.054 4.157 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.125 8.858 5.353 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.189 7.769 6.724 1.00 0.00 H new ATOM 0 HE ARG A 100 9.857 8.107 5.828 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.221 10.026 7.185 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.309 11.173 7.974 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.246 9.583 6.846 1.00 0.00 H new ATOM 0 HH22 ARG A 100 10.578 10.923 7.784 1.00 0.00 H new ATOM 1521 N GLU A 101 5.390 4.034 3.180 1.00 0.00 N ATOM 1522 CA GLU A 101 4.306 3.081 2.976 1.00 0.00 C ATOM 1523 C GLU A 101 3.670 2.686 4.305 1.00 0.00 C ATOM 1524 O GLU A 101 4.259 2.880 5.369 1.00 0.00 O ATOM 1525 CB GLU A 101 4.823 1.834 2.255 1.00 0.00 C ATOM 1526 CG GLU A 101 5.706 0.952 3.121 1.00 0.00 C ATOM 1527 CD GLU A 101 4.940 0.290 4.250 1.00 0.00 C ATOM 1528 OE1 GLU A 101 3.814 -0.191 4.003 1.00 0.00 O ATOM 1529 OE2 GLU A 101 5.468 0.252 5.382 1.00 0.00 O ATOM 0 H GLU A 101 6.027 3.793 3.940 1.00 0.00 H new ATOM 0 HA GLU A 101 3.547 3.561 2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.973 1.249 1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.385 2.141 1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.167 0.184 2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.515 1.552 3.538 1.00 0.00 H new ATOM 1536 N ARG A 102 2.464 2.132 4.237 1.00 0.00 N ATOM 1537 CA ARG A 102 1.747 1.711 5.434 1.00 0.00 C ATOM 1538 C ARG A 102 1.644 0.190 5.500 1.00 0.00 C ATOM 1539 O ARG A 102 1.388 -0.468 4.493 1.00 0.00 O ATOM 1540 CB ARG A 102 0.348 2.329 5.460 1.00 0.00 C ATOM 1541 CG ARG A 102 -0.536 1.790 6.573 1.00 0.00 C ATOM 1542 CD ARG A 102 -0.386 2.605 7.848 1.00 0.00 C ATOM 1543 NE ARG A 102 0.858 2.301 8.549 1.00 0.00 N ATOM 1544 CZ ARG A 102 1.073 2.596 9.826 1.00 0.00 C ATOM 1545 NH1 ARG A 102 0.131 3.199 10.538 1.00 0.00 N ATOM 1546 NH2 ARG A 102 2.232 2.287 10.394 1.00 0.00 N ATOM 0 H ARG A 102 1.963 1.964 3.365 1.00 0.00 H new ATOM 0 HA ARG A 102 2.306 2.058 6.303 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.439 3.409 5.571 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.138 2.147 4.501 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.577 1.804 6.251 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.278 0.750 6.772 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -0.415 3.667 7.605 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -1.231 2.406 8.507 1.00 0.00 H new ATOM 0 HE ARG A 102 1.603 1.837 8.030 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -0.761 3.437 10.105 1.00 0.00 H new ATOM 0 HH12 ARG A 102 0.299 3.424 11.519 1.00 0.00 H new ATOM 0 HH21 ARG A 102 2.959 1.822 9.850 1.00 0.00 H new ATOM 0 HH22 ARG A 102 2.396 2.514 11.375 1.00 0.00 H new ATOM 1560 N GLU A 103 1.847 -0.360 6.694 1.00 0.00 N ATOM 1561 CA GLU A 103 1.778 -1.803 6.890 1.00 0.00 C ATOM 1562 C GLU A 103 0.358 -2.238 7.239 1.00 0.00 C ATOM 1563 O GLU A 103 -0.322 -1.594 8.038 1.00 0.00 O ATOM 1564 CB GLU A 103 2.742 -2.236 7.996 1.00 0.00 C ATOM 1565 CG GLU A 103 3.156 -3.696 7.906 1.00 0.00 C ATOM 1566 CD GLU A 103 3.656 -4.243 9.229 1.00 0.00 C ATOM 1567 OE1 GLU A 103 4.574 -3.632 9.815 1.00 0.00 O ATOM 1568 OE2 GLU A 103 3.129 -5.283 9.677 1.00 0.00 O ATOM 0 H GLU A 103 2.060 0.171 7.538 1.00 0.00 H new ATOM 0 HA GLU A 103 2.067 -2.285 5.956 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.634 -1.611 7.954 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.274 -2.059 8.964 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.307 -4.290 7.569 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.938 -3.802 7.154 1.00 0.00 H new ATOM 1575 N GLY A 104 -0.085 -3.336 6.634 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.422 -3.838 6.893 1.00 0.00 C ATOM 1577 C GLY A 104 -1.543 -5.326 6.630 1.00 0.00 C ATOM 1578 O GLY A 104 -1.805 -5.745 5.502 1.00 0.00 O ATOM 0 H GLY A 104 0.458 -3.887 5.969 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.690 -3.632 7.929 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.136 -3.302 6.267 1.00 0.00 H new ATOM 1582 N VAL A 105 -1.351 -6.127 7.673 1.00 0.00 N ATOM 1583 CA VAL A 105 -1.441 -7.577 7.550 1.00 0.00 C ATOM 1584 C VAL A 105 -2.892 -8.043 7.572 1.00 0.00 C ATOM 1585 O VAL A 105 -3.754 -7.391 8.163 1.00 0.00 O ATOM 1586 CB VAL A 105 -0.668 -8.285 8.679 1.00 0.00 C ATOM 1587 CG1 VAL A 105 -0.769 -9.795 8.530 1.00 0.00 C ATOM 1588 CG2 VAL A 105 0.786 -7.838 8.691 1.00 0.00 C ATOM 0 H VAL A 105 -1.132 -5.796 8.613 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.993 -7.841 6.592 1.00 0.00 H new ATOM 0 HB VAL A 105 -1.117 -8.007 9.633 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.217 -10.278 9.336 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.816 -10.096 8.576 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.347 -10.095 7.571 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.317 -8.348 9.495 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.250 -8.084 7.736 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.834 -6.761 8.851 1.00 0.00 H new ATOM 1598 N ILE A 106 -3.155 -9.173 6.926 1.00 0.00 N ATOM 1599 CA ILE A 106 -4.502 -9.727 6.873 1.00 0.00 C ATOM 1600 C ILE A 106 -4.478 -11.246 7.005 1.00 0.00 C ATOM 1601 O ILE A 106 -3.535 -11.904 6.565 1.00 0.00 O ATOM 1602 CB ILE A 106 -5.216 -9.348 5.562 1.00 0.00 C ATOM 1603 CG1 ILE A 106 -6.694 -9.736 5.629 1.00 0.00 C ATOM 1604 CG2 ILE A 106 -4.540 -10.022 4.377 1.00 0.00 C ATOM 1605 CD1 ILE A 106 -7.525 -8.803 6.483 1.00 0.00 C ATOM 0 H ILE A 106 -2.453 -9.723 6.432 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.051 -9.301 7.712 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.149 -8.268 5.429 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.103 -9.752 4.619 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.778 -10.749 6.024 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -5.056 -9.745 3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.500 -9.701 4.321 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.579 -11.104 4.503 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -8.562 -9.138 6.485 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -7.141 -8.805 7.503 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.471 -7.793 6.077 1.00 0.00 H new ATOM 1617 N THR A 107 -5.524 -11.798 7.613 1.00 0.00 N ATOM 1618 CA THR A 107 -5.623 -13.240 7.802 1.00 0.00 C ATOM 1619 C THR A 107 -6.874 -13.797 7.132 1.00 0.00 C ATOM 1620 O THR A 107 -7.993 -13.555 7.585 1.00 0.00 O ATOM 1621 CB THR A 107 -5.648 -13.609 9.298 1.00 0.00 C ATOM 1622 OG1 THR A 107 -4.440 -13.173 9.930 1.00 0.00 O ATOM 1623 CG2 THR A 107 -5.809 -15.111 9.481 1.00 0.00 C ATOM 0 H THR A 107 -6.314 -11.269 7.983 1.00 0.00 H new ATOM 0 HA THR A 107 -4.740 -13.682 7.341 1.00 0.00 H new ATOM 0 HB THR A 107 -6.499 -13.109 9.760 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.464 -13.410 10.881 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.824 -15.348 10.545 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.744 -15.435 9.024 1.00 0.00 H new ATOM 0 HG23 THR A 107 -4.975 -15.627 9.006 1.00 0.00 H new ATOM 1631 N ILE A 108 -6.677 -14.546 6.052 1.00 0.00 N ATOM 1632 CA ILE A 108 -7.790 -15.139 5.321 1.00 0.00 C ATOM 1633 C ILE A 108 -8.661 -15.988 6.241 1.00 0.00 C ATOM 1634 O ILE A 108 -8.215 -17.004 6.771 1.00 0.00 O ATOM 1635 CB ILE A 108 -7.295 -16.012 4.153 1.00 0.00 C ATOM 1636 CG1 ILE A 108 -6.414 -15.188 3.210 1.00 0.00 C ATOM 1637 CG2 ILE A 108 -8.475 -16.607 3.399 1.00 0.00 C ATOM 1638 CD1 ILE A 108 -7.150 -14.053 2.534 1.00 0.00 C ATOM 0 H ILE A 108 -5.757 -14.756 5.664 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.381 -14.314 4.923 1.00 0.00 H new ATOM 0 HB ILE A 108 -6.698 -16.829 4.557 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -5.574 -14.781 3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -5.998 -15.846 2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -8.109 -17.221 2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.067 -17.223 4.076 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.096 -15.804 3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.465 -13.513 1.881 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.974 -14.454 1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -7.543 -13.373 3.290 1.00 0.00 H new ATOM 1650 N GLU A 109 -9.908 -15.563 6.424 1.00 0.00 N ATOM 1651 CA GLU A 109 -10.843 -16.286 7.278 1.00 0.00 C ATOM 1652 C GLU A 109 -12.136 -16.595 6.531 1.00 0.00 C ATOM 1653 O GLU A 109 -13.009 -15.738 6.398 1.00 0.00 O ATOM 1654 CB GLU A 109 -11.151 -15.472 8.537 1.00 0.00 C ATOM 1655 CG GLU A 109 -10.000 -15.424 9.528 1.00 0.00 C ATOM 1656 CD GLU A 109 -10.332 -14.620 10.770 1.00 0.00 C ATOM 1657 OE1 GLU A 109 -11.122 -13.659 10.660 1.00 0.00 O ATOM 1658 OE2 GLU A 109 -9.802 -14.951 11.851 1.00 0.00 O ATOM 0 H GLU A 109 -10.293 -14.723 5.993 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.377 -17.228 7.567 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.412 -14.454 8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.026 -15.897 9.029 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -9.733 -16.440 9.818 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -9.125 -14.991 9.043 1.00 0.00 H new