USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 752 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 110 GLN : amide:sc= 0.15 K(o=1.3,f=-6.8!) USER MOD Set 1.2: A 112 GLN : amide:sc= 1.2 K(o=1.3,f=-5.7!) USER MOD Set 2.1: A 51 GLN :FLIP amide:sc= 0.206 F(o=-0.067,f=0.93) USER MOD Set 2.2: A 99 THR OG1 : rot 166:sc= 0.721 USER MOD Set 3.1: A 74 GLN : amide:sc= -0.0886 X(o=-3,f=-3) USER MOD Set 3.2: A 77 MET CE :methyl 178:sc= -2.9! (180deg=-2.91!) USER MOD Set 4.1: A 33 THR OG1 : rot 103:sc= -1.06 USER MOD Set 4.2: A 62 TYR OH : rot 59:sc= -0.0245 USER MOD Set 5.1: A 40 SER OG : rot 149:sc= 0.0451 USER MOD Set 5.2: A 45 SER OG : rot 180:sc= 0.0424 USER MOD Set 5.3: A 47 HIS : no HD1:sc= -0.144 K(o=-0.057,f=-3) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 82:sc= 0.697 USER MOD Single : A 29 SER OG : rot -2:sc= 0.459 USER MOD Single : A 38 CYS SG : rot 180:sc= -1.01 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN :FLIP amide:sc= -0.0675 F(o=-1.8!,f=-0.068) USER MOD Single : A 53 GLN : amide:sc= 0.478 K(o=0.48,f=-0.29) USER MOD Single : A 56 LYS NZ :NH3+ -175:sc=-0.00407 (180deg=-0.0447) USER MOD Single : A 61 LYS NZ :NH3+ -169:sc= -0.185 (180deg=-0.237) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS :FLIP no HE2:sc=-0.00948 F(o=-0.58,f=-0.0095) USER MOD Single : A 66 ASN : amide:sc= -0.594 K(o=-0.59,f=-4!) USER MOD Single : A 67 ASN : amide:sc= -0.346 K(o=-0.35,f=-7!) USER MOD Single : A 68 MET CE :methyl 155:sc= -0.281 (180deg=-1.37) USER MOD Single : A 70 SER OG : rot 180:sc= 0.233 USER MOD Single : A 76 ASN : amide:sc= -0.458 X(o=-0.46,f=-0.47) USER MOD Single : A 78 TYR OH : rot 180:sc= 0.613 USER MOD Single : A 82 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0466) USER MOD Single : A 85 HIS : no HE2:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 102 GLN : amide:sc= -0.0815 X(o=-0.082,f=-0.29) USER MOD Single : A 103 HIS :FLIP no HE2:sc= -0.409 F(o=-2.1,f=-0.41) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 116 ASN :FLIP amide:sc= -0.0875 F(o=-2!,f=-0.088) USER MOD Single : A 118 LYS NZ :NH3+ -140:sc= 0.965 (180deg=0.0213) USER MOD ----------------------------------------------------------------- ATOM 237 N VAL A 17 6.797 -15.147 -0.142 1.00 12.41 N ATOM 238 CA VAL A 17 6.035 -13.881 -0.167 1.00 22.21 C ATOM 239 C VAL A 17 5.009 -13.818 0.999 1.00 42.10 C ATOM 240 O VAL A 17 4.104 -14.666 1.058 1.00 53.01 O ATOM 241 CB VAL A 17 5.298 -13.697 -1.551 1.00 22.21 C ATOM 242 CG1 VAL A 17 4.332 -12.488 -1.538 1.00 71.14 C ATOM 243 CG2 VAL A 17 6.319 -13.567 -2.715 1.00 61.44 C ATOM 0 HA VAL A 17 6.747 -13.066 -0.039 1.00 22.21 H new ATOM 0 HB VAL A 17 4.699 -14.593 -1.714 1.00 22.21 H new ATOM 0 HG11 VAL A 17 3.847 -12.399 -2.510 1.00 71.14 H new ATOM 0 HG12 VAL A 17 3.576 -12.635 -0.767 1.00 71.14 H new ATOM 0 HG13 VAL A 17 4.892 -11.577 -1.328 1.00 71.14 H new ATOM 0 HG21 VAL A 17 5.784 -13.441 -3.656 1.00 61.44 H new ATOM 0 HG22 VAL A 17 6.959 -12.701 -2.543 1.00 61.44 H new ATOM 0 HG23 VAL A 17 6.932 -14.467 -2.764 1.00 61.44 H new ATOM 253 N PRO A 18 5.157 -12.831 1.954 1.00 72.13 N ATOM 254 CA PRO A 18 4.155 -12.584 3.022 1.00 53.24 C ATOM 255 C PRO A 18 2.763 -12.237 2.443 1.00 11.44 C ATOM 256 O PRO A 18 2.661 -11.500 1.446 1.00 30.42 O ATOM 257 CB PRO A 18 4.756 -11.394 3.826 1.00 33.02 C ATOM 258 CG PRO A 18 6.225 -11.439 3.532 1.00 20.31 C ATOM 259 CD PRO A 18 6.319 -11.901 2.089 1.00 11.32 C ATOM 0 HA PRO A 18 3.983 -13.465 3.640 1.00 53.24 H new ATOM 0 HB2 PRO A 18 4.319 -10.445 3.515 1.00 33.02 H new ATOM 0 HB3 PRO A 18 4.562 -11.499 4.893 1.00 33.02 H new ATOM 0 HG2 PRO A 18 6.685 -10.460 3.664 1.00 20.31 H new ATOM 0 HG3 PRO A 18 6.741 -12.127 4.202 1.00 20.31 H new ATOM 0 HD2 PRO A 18 6.249 -11.065 1.393 1.00 11.32 H new ATOM 0 HD3 PRO A 18 7.264 -12.405 1.888 1.00 11.32 H new ATOM 267 N ALA A 19 1.707 -12.790 3.076 1.00 40.15 N ATOM 268 CA ALA A 19 0.301 -12.617 2.654 1.00 30.54 C ATOM 269 C ALA A 19 -0.103 -11.133 2.561 1.00 52.34 C ATOM 270 O ALA A 19 -0.831 -10.746 1.639 1.00 24.42 O ATOM 271 CB ALA A 19 -0.643 -13.371 3.608 1.00 52.44 C ATOM 0 H ALA A 19 1.808 -13.376 3.905 1.00 40.15 H new ATOM 0 HA ALA A 19 0.211 -13.039 1.653 1.00 30.54 H new ATOM 0 HB1 ALA A 19 -1.674 -13.233 3.283 1.00 52.44 H new ATOM 0 HB2 ALA A 19 -0.398 -14.433 3.598 1.00 52.44 H new ATOM 0 HB3 ALA A 19 -0.526 -12.981 4.619 1.00 52.44 H new ATOM 277 N PHE A 20 0.370 -10.316 3.528 1.00 52.13 N ATOM 278 CA PHE A 20 0.179 -8.856 3.512 1.00 21.13 C ATOM 279 C PHE A 20 0.672 -8.240 2.183 1.00 20.35 C ATOM 280 O PHE A 20 -0.021 -7.418 1.588 1.00 54.44 O ATOM 281 CB PHE A 20 0.922 -8.196 4.716 1.00 13.31 C ATOM 282 CG PHE A 20 0.799 -6.666 4.779 1.00 30.14 C ATOM 283 CD1 PHE A 20 -0.286 -6.061 5.411 1.00 21.20 C ATOM 284 CD2 PHE A 20 1.750 -5.840 4.172 1.00 64.14 C ATOM 285 CE1 PHE A 20 -0.410 -4.687 5.437 1.00 73.53 C ATOM 286 CE2 PHE A 20 1.621 -4.473 4.195 1.00 21.32 C ATOM 287 CZ PHE A 20 0.543 -3.893 4.826 1.00 72.41 C ATOM 0 H PHE A 20 0.892 -10.652 4.337 1.00 52.13 H new ATOM 0 HA PHE A 20 -0.889 -8.659 3.602 1.00 21.13 H new ATOM 0 HB2 PHE A 20 0.532 -8.618 5.642 1.00 13.31 H new ATOM 0 HB3 PHE A 20 1.978 -8.461 4.665 1.00 13.31 H new ATOM 0 HD1 PHE A 20 -1.038 -6.674 5.885 1.00 21.20 H new ATOM 0 HD2 PHE A 20 2.600 -6.285 3.677 1.00 64.14 H new ATOM 0 HE1 PHE A 20 -1.253 -4.231 5.935 1.00 73.53 H new ATOM 0 HE2 PHE A 20 2.365 -3.853 3.718 1.00 21.32 H new ATOM 0 HZ PHE A 20 0.442 -2.818 4.844 1.00 72.41 H new ATOM 297 N LEU A 21 1.873 -8.656 1.735 1.00 33.52 N ATOM 298 CA LEU A 21 2.552 -8.041 0.578 1.00 70.34 C ATOM 299 C LEU A 21 1.941 -8.479 -0.754 1.00 73.31 C ATOM 300 O LEU A 21 1.926 -7.688 -1.691 1.00 74.21 O ATOM 301 CB LEU A 21 4.069 -8.350 0.594 1.00 41.23 C ATOM 302 CG LEU A 21 4.885 -7.673 1.733 1.00 64.23 C ATOM 303 CD1 LEU A 21 6.357 -8.086 1.657 1.00 32.25 C ATOM 304 CD2 LEU A 21 4.739 -6.129 1.702 1.00 24.42 C ATOM 0 H LEU A 21 2.396 -9.421 2.161 1.00 33.52 H new ATOM 0 HA LEU A 21 2.409 -6.964 0.669 1.00 70.34 H new ATOM 0 HB2 LEU A 21 4.200 -9.429 0.671 1.00 41.23 H new ATOM 0 HB3 LEU A 21 4.493 -8.044 -0.362 1.00 41.23 H new ATOM 0 HG LEU A 21 4.478 -8.018 2.684 1.00 64.23 H new ATOM 0 HD11 LEU A 21 6.912 -7.603 2.461 1.00 32.25 H new ATOM 0 HD12 LEU A 21 6.437 -9.168 1.760 1.00 32.25 H new ATOM 0 HD13 LEU A 21 6.771 -7.781 0.696 1.00 32.25 H new ATOM 0 HD21 LEU A 21 5.323 -5.692 2.512 1.00 24.42 H new ATOM 0 HD22 LEU A 21 5.102 -5.748 0.747 1.00 24.42 H new ATOM 0 HD23 LEU A 21 3.690 -5.860 1.825 1.00 24.42 H new ATOM 316 N THR A 22 1.471 -9.741 -0.853 1.00 3.03 N ATOM 317 CA THR A 22 0.821 -10.229 -2.088 1.00 43.11 C ATOM 318 C THR A 22 -0.567 -9.572 -2.261 1.00 43.53 C ATOM 319 O THR A 22 -0.983 -9.278 -3.389 1.00 10.32 O ATOM 320 CB THR A 22 0.716 -11.797 -2.135 1.00 73.12 C ATOM 321 OG1 THR A 22 0.281 -12.224 -3.436 1.00 64.22 O ATOM 322 CG2 THR A 22 -0.233 -12.378 -1.076 1.00 35.42 C ATOM 0 H THR A 22 1.528 -10.431 -0.104 1.00 3.03 H new ATOM 0 HA THR A 22 1.455 -9.937 -2.925 1.00 43.11 H new ATOM 0 HB THR A 22 1.715 -12.174 -1.917 1.00 73.12 H new ATOM 0 HG1 THR A 22 0.220 -13.202 -3.456 1.00 64.22 H new ATOM 0 HG21 THR A 22 -0.257 -13.464 -1.166 1.00 35.42 H new ATOM 0 HG22 THR A 22 0.120 -12.104 -0.082 1.00 35.42 H new ATOM 0 HG23 THR A 22 -1.236 -11.979 -1.228 1.00 35.42 H new ATOM 330 N LYS A 23 -1.269 -9.333 -1.129 1.00 52.14 N ATOM 331 CA LYS A 23 -2.566 -8.640 -1.127 1.00 43.31 C ATOM 332 C LYS A 23 -2.387 -7.161 -1.455 1.00 2.50 C ATOM 333 O LYS A 23 -3.180 -6.611 -2.212 1.00 71.43 O ATOM 334 CB LYS A 23 -3.305 -8.824 0.233 1.00 35.50 C ATOM 335 CG LYS A 23 -3.835 -10.261 0.526 1.00 53.44 C ATOM 336 CD LYS A 23 -5.170 -10.619 -0.198 1.00 50.04 C ATOM 337 CE LYS A 23 -5.029 -10.902 -1.710 1.00 51.41 C ATOM 338 NZ LYS A 23 -6.310 -11.311 -2.326 1.00 32.13 N ATOM 0 H LYS A 23 -0.951 -9.615 -0.202 1.00 52.14 H new ATOM 0 HA LYS A 23 -3.187 -9.089 -1.902 1.00 43.31 H new ATOM 0 HB2 LYS A 23 -2.626 -8.536 1.036 1.00 35.50 H new ATOM 0 HB3 LYS A 23 -4.147 -8.133 0.264 1.00 35.50 H new ATOM 0 HG2 LYS A 23 -3.073 -10.983 0.232 1.00 53.44 H new ATOM 0 HG3 LYS A 23 -3.979 -10.369 1.601 1.00 53.44 H new ATOM 0 HD2 LYS A 23 -5.604 -11.495 0.283 1.00 50.04 H new ATOM 0 HD3 LYS A 23 -5.874 -9.798 -0.060 1.00 50.04 H new ATOM 0 HE2 LYS A 23 -4.656 -10.009 -2.211 1.00 51.41 H new ATOM 0 HE3 LYS A 23 -4.288 -11.686 -1.863 1.00 51.41 H new ATOM 0 HZ1 LYS A 23 -6.166 -11.490 -3.340 1.00 32.13 H new ATOM 0 HZ2 LYS A 23 -6.655 -12.178 -1.867 1.00 32.13 H new ATOM 0 HZ3 LYS A 23 -7.011 -10.553 -2.204 1.00 32.13 H new ATOM 352 N LEU A 24 -1.347 -6.539 -0.866 1.00 3.23 N ATOM 353 CA LEU A 24 -0.970 -5.135 -1.134 1.00 71.22 C ATOM 354 C LEU A 24 -0.627 -4.925 -2.622 1.00 21.51 C ATOM 355 O LEU A 24 -1.117 -3.996 -3.241 1.00 53.23 O ATOM 356 CB LEU A 24 0.238 -4.721 -0.253 1.00 12.15 C ATOM 357 CG LEU A 24 0.768 -3.261 -0.450 1.00 52.41 C ATOM 358 CD1 LEU A 24 -0.303 -2.216 -0.078 1.00 10.42 C ATOM 359 CD2 LEU A 24 2.077 -3.037 0.334 1.00 5.20 C ATOM 0 H LEU A 24 -0.741 -6.998 -0.187 1.00 3.23 H new ATOM 0 HA LEU A 24 -1.826 -4.508 -0.886 1.00 71.22 H new ATOM 0 HB2 LEU A 24 -0.042 -4.846 0.793 1.00 12.15 H new ATOM 0 HB3 LEU A 24 1.058 -5.412 -0.448 1.00 12.15 H new ATOM 0 HG LEU A 24 0.991 -3.129 -1.509 1.00 52.41 H new ATOM 0 HD11 LEU A 24 0.099 -1.214 -0.227 1.00 10.42 H new ATOM 0 HD12 LEU A 24 -1.180 -2.353 -0.711 1.00 10.42 H new ATOM 0 HD13 LEU A 24 -0.586 -2.342 0.967 1.00 10.42 H new ATOM 0 HD21 LEU A 24 2.423 -2.015 0.180 1.00 5.20 H new ATOM 0 HD22 LEU A 24 1.898 -3.203 1.396 1.00 5.20 H new ATOM 0 HD23 LEU A 24 2.836 -3.735 -0.019 1.00 5.20 H new ATOM 371 N TRP A 25 0.230 -5.807 -3.160 1.00 43.33 N ATOM 372 CA TRP A 25 0.675 -5.799 -4.570 1.00 14.24 C ATOM 373 C TRP A 25 -0.532 -5.808 -5.537 1.00 5.13 C ATOM 374 O TRP A 25 -0.623 -4.967 -6.444 1.00 44.34 O ATOM 375 CB TRP A 25 1.592 -7.033 -4.776 1.00 44.31 C ATOM 376 CG TRP A 25 2.190 -7.221 -6.153 1.00 23.12 C ATOM 377 CD1 TRP A 25 3.340 -6.662 -6.647 1.00 72.24 C ATOM 378 CD2 TRP A 25 1.678 -8.067 -7.190 1.00 1.42 C ATOM 379 NE1 TRP A 25 3.573 -7.120 -7.920 1.00 75.40 N ATOM 380 CE2 TRP A 25 2.560 -7.977 -8.277 1.00 63.40 C ATOM 381 CE3 TRP A 25 0.550 -8.893 -7.295 1.00 41.32 C ATOM 382 CZ2 TRP A 25 2.349 -8.682 -9.456 1.00 43.52 C ATOM 383 CZ3 TRP A 25 0.341 -9.586 -8.466 1.00 13.33 C ATOM 384 CH2 TRP A 25 1.239 -9.479 -9.534 1.00 35.11 C ATOM 0 H TRP A 25 0.645 -6.565 -2.617 1.00 43.33 H new ATOM 0 HA TRP A 25 1.229 -4.887 -4.791 1.00 14.24 H new ATOM 0 HB2 TRP A 25 2.409 -6.972 -4.057 1.00 44.31 H new ATOM 0 HB3 TRP A 25 1.018 -7.927 -4.531 1.00 44.31 H new ATOM 0 HD1 TRP A 25 3.969 -5.965 -6.114 1.00 72.24 H new ATOM 0 HE1 TRP A 25 4.369 -6.866 -8.505 1.00 75.40 H new ATOM 0 HE3 TRP A 25 -0.143 -8.984 -6.472 1.00 41.32 H new ATOM 0 HZ2 TRP A 25 3.038 -8.604 -10.284 1.00 43.52 H new ATOM 0 HZ3 TRP A 25 -0.528 -10.221 -8.562 1.00 13.33 H new ATOM 0 HH2 TRP A 25 1.052 -10.037 -10.439 1.00 35.11 H new ATOM 395 N THR A 26 -1.453 -6.763 -5.305 1.00 72.21 N ATOM 396 CA THR A 26 -2.700 -6.913 -6.074 1.00 45.23 C ATOM 397 C THR A 26 -3.639 -5.696 -5.877 1.00 51.45 C ATOM 398 O THR A 26 -4.298 -5.257 -6.822 1.00 13.44 O ATOM 399 CB THR A 26 -3.427 -8.236 -5.653 1.00 43.20 C ATOM 400 OG1 THR A 26 -2.539 -9.350 -5.839 1.00 40.04 O ATOM 401 CG2 THR A 26 -4.727 -8.488 -6.440 1.00 50.35 C ATOM 0 H THR A 26 -1.349 -7.460 -4.568 1.00 72.21 H new ATOM 0 HA THR A 26 -2.443 -6.963 -7.132 1.00 45.23 H new ATOM 0 HB THR A 26 -3.702 -8.127 -4.604 1.00 43.20 H new ATOM 0 HG1 THR A 26 -1.938 -9.421 -5.068 1.00 40.04 H new ATOM 0 HG21 THR A 26 -5.182 -9.419 -6.102 1.00 50.35 H new ATOM 0 HG22 THR A 26 -5.420 -7.663 -6.272 1.00 50.35 H new ATOM 0 HG23 THR A 26 -4.500 -8.560 -7.504 1.00 50.35 H new ATOM 409 N LEU A 27 -3.650 -5.153 -4.647 1.00 14.02 N ATOM 410 CA LEU A 27 -4.494 -4.010 -4.240 1.00 31.14 C ATOM 411 C LEU A 27 -4.144 -2.734 -5.032 1.00 13.23 C ATOM 412 O LEU A 27 -5.026 -2.070 -5.589 1.00 61.30 O ATOM 413 CB LEU A 27 -4.306 -3.785 -2.710 1.00 23.24 C ATOM 414 CG LEU A 27 -4.911 -2.499 -2.094 1.00 24.24 C ATOM 415 CD1 LEU A 27 -6.413 -2.421 -2.367 1.00 72.13 C ATOM 416 CD2 LEU A 27 -4.605 -2.406 -0.582 1.00 31.22 C ATOM 0 H LEU A 27 -3.061 -5.502 -3.891 1.00 14.02 H new ATOM 0 HA LEU A 27 -5.538 -4.236 -4.459 1.00 31.14 H new ATOM 0 HB2 LEU A 27 -4.736 -4.641 -2.189 1.00 23.24 H new ATOM 0 HB3 LEU A 27 -3.237 -3.787 -2.499 1.00 23.24 H new ATOM 0 HG LEU A 27 -4.441 -1.641 -2.574 1.00 24.24 H new ATOM 0 HD11 LEU A 27 -6.816 -1.510 -1.925 1.00 72.13 H new ATOM 0 HD12 LEU A 27 -6.587 -2.410 -3.443 1.00 72.13 H new ATOM 0 HD13 LEU A 27 -6.908 -3.287 -1.928 1.00 72.13 H new ATOM 0 HD21 LEU A 27 -5.042 -1.493 -0.178 1.00 31.22 H new ATOM 0 HD22 LEU A 27 -5.031 -3.270 -0.071 1.00 31.22 H new ATOM 0 HD23 LEU A 27 -3.526 -2.390 -0.430 1.00 31.22 H new ATOM 428 N VAL A 28 -2.845 -2.418 -5.045 1.00 1.12 N ATOM 429 CA VAL A 28 -2.272 -1.265 -5.759 1.00 30.21 C ATOM 430 C VAL A 28 -2.574 -1.339 -7.274 1.00 45.02 C ATOM 431 O VAL A 28 -2.819 -0.317 -7.930 1.00 4.44 O ATOM 432 CB VAL A 28 -0.711 -1.224 -5.515 1.00 34.23 C ATOM 433 CG1 VAL A 28 -0.033 -0.115 -6.329 1.00 31.30 C ATOM 434 CG2 VAL A 28 -0.373 -1.067 -4.011 1.00 42.23 C ATOM 0 H VAL A 28 -2.144 -2.968 -4.549 1.00 1.12 H new ATOM 0 HA VAL A 28 -2.729 -0.353 -5.374 1.00 30.21 H new ATOM 0 HB VAL A 28 -0.318 -2.181 -5.857 1.00 34.23 H new ATOM 0 HG11 VAL A 28 1.039 -0.122 -6.132 1.00 31.30 H new ATOM 0 HG12 VAL A 28 -0.207 -0.285 -7.391 1.00 31.30 H new ATOM 0 HG13 VAL A 28 -0.448 0.852 -6.043 1.00 31.30 H new ATOM 0 HG21 VAL A 28 0.709 -1.043 -3.882 1.00 42.23 H new ATOM 0 HG22 VAL A 28 -0.804 -0.139 -3.636 1.00 42.23 H new ATOM 0 HG23 VAL A 28 -0.786 -1.909 -3.455 1.00 42.23 H new ATOM 444 N SER A 29 -2.572 -2.572 -7.799 1.00 30.34 N ATOM 445 CA SER A 29 -2.720 -2.849 -9.236 1.00 73.21 C ATOM 446 C SER A 29 -4.189 -3.088 -9.644 1.00 63.24 C ATOM 447 O SER A 29 -4.462 -3.363 -10.817 1.00 72.40 O ATOM 448 CB SER A 29 -1.849 -4.074 -9.598 1.00 11.55 C ATOM 449 OG SER A 29 -2.244 -5.234 -8.887 1.00 32.31 O ATOM 0 H SER A 29 -2.467 -3.414 -7.233 1.00 30.34 H new ATOM 0 HA SER A 29 -2.387 -1.971 -9.789 1.00 73.21 H new ATOM 0 HB2 SER A 29 -1.918 -4.264 -10.669 1.00 11.55 H new ATOM 0 HB3 SER A 29 -0.804 -3.853 -9.380 1.00 11.55 H new ATOM 0 HG SER A 29 -2.979 -5.010 -8.279 1.00 32.31 H new ATOM 455 N ASP A 30 -5.131 -2.979 -8.686 1.00 33.11 N ATOM 456 CA ASP A 30 -6.559 -3.288 -8.920 1.00 13.25 C ATOM 457 C ASP A 30 -7.346 -2.032 -9.398 1.00 25.24 C ATOM 458 O ASP A 30 -7.193 -0.960 -8.802 1.00 1.35 O ATOM 459 CB ASP A 30 -7.184 -3.871 -7.628 1.00 72.04 C ATOM 460 CG ASP A 30 -8.604 -4.405 -7.841 1.00 21.52 C ATOM 461 OD1 ASP A 30 -8.744 -5.552 -8.332 1.00 62.04 O ATOM 462 OD2 ASP A 30 -9.580 -3.685 -7.554 1.00 74.10 O ATOM 0 H ASP A 30 -4.927 -2.676 -7.734 1.00 33.11 H new ATOM 0 HA ASP A 30 -6.624 -4.030 -9.716 1.00 13.25 H new ATOM 0 HB2 ASP A 30 -6.551 -4.676 -7.255 1.00 72.04 H new ATOM 0 HB3 ASP A 30 -7.203 -3.099 -6.859 1.00 72.04 H new ATOM 467 N PRO A 31 -8.211 -2.157 -10.469 1.00 60.23 N ATOM 468 CA PRO A 31 -8.999 -1.012 -11.025 1.00 1.12 C ATOM 469 C PRO A 31 -10.098 -0.474 -10.073 1.00 61.03 C ATOM 470 O PRO A 31 -10.375 0.734 -10.068 1.00 30.34 O ATOM 471 CB PRO A 31 -9.627 -1.612 -12.317 1.00 73.13 C ATOM 472 CG PRO A 31 -9.703 -3.087 -12.051 1.00 1.34 C ATOM 473 CD PRO A 31 -8.458 -3.410 -11.252 1.00 34.40 C ATOM 0 HA PRO A 31 -8.364 -0.142 -11.193 1.00 1.12 H new ATOM 0 HB2 PRO A 31 -10.614 -1.192 -12.510 1.00 73.13 H new ATOM 0 HB3 PRO A 31 -9.014 -1.398 -13.192 1.00 73.13 H new ATOM 0 HG2 PRO A 31 -10.605 -3.341 -11.494 1.00 1.34 H new ATOM 0 HG3 PRO A 31 -9.732 -3.654 -12.981 1.00 1.34 H new ATOM 0 HD2 PRO A 31 -8.612 -4.268 -10.598 1.00 34.40 H new ATOM 0 HD3 PRO A 31 -7.616 -3.651 -11.901 1.00 34.40 H new ATOM 481 N ASP A 32 -10.714 -1.372 -9.279 1.00 52.41 N ATOM 482 CA ASP A 32 -11.841 -1.019 -8.375 1.00 12.32 C ATOM 483 C ASP A 32 -11.350 -0.159 -7.193 1.00 3.54 C ATOM 484 O ASP A 32 -12.040 0.764 -6.741 1.00 34.24 O ATOM 485 CB ASP A 32 -12.546 -2.308 -7.864 1.00 52.44 C ATOM 486 CG ASP A 32 -13.669 -2.048 -6.844 1.00 44.34 C ATOM 487 OD1 ASP A 32 -14.826 -1.819 -7.258 1.00 35.42 O ATOM 488 OD2 ASP A 32 -13.402 -2.069 -5.622 1.00 21.43 O ATOM 0 H ASP A 32 -10.451 -2.357 -9.242 1.00 52.41 H new ATOM 0 HA ASP A 32 -12.563 -0.430 -8.940 1.00 12.32 H new ATOM 0 HB2 ASP A 32 -12.962 -2.844 -8.717 1.00 52.44 H new ATOM 0 HB3 ASP A 32 -11.801 -2.961 -7.409 1.00 52.44 H new ATOM 493 N THR A 33 -10.139 -0.460 -6.720 1.00 35.12 N ATOM 494 CA THR A 33 -9.533 0.227 -5.570 1.00 62.11 C ATOM 495 C THR A 33 -8.539 1.316 -6.030 1.00 11.03 C ATOM 496 O THR A 33 -7.971 2.021 -5.197 1.00 64.03 O ATOM 497 CB THR A 33 -8.836 -0.803 -4.624 1.00 71.11 C ATOM 498 OG1 THR A 33 -7.982 -1.669 -5.386 1.00 12.41 O ATOM 499 CG2 THR A 33 -9.864 -1.648 -3.847 1.00 61.31 C ATOM 0 H THR A 33 -9.547 -1.187 -7.122 1.00 35.12 H new ATOM 0 HA THR A 33 -10.328 0.722 -5.013 1.00 62.11 H new ATOM 0 HB THR A 33 -8.244 -0.240 -3.902 1.00 71.11 H new ATOM 0 HG1 THR A 33 -7.049 -1.392 -5.272 1.00 12.41 H new ATOM 0 HG21 THR A 33 -9.341 -2.352 -3.200 1.00 61.31 H new ATOM 0 HG22 THR A 33 -10.489 -0.993 -3.240 1.00 61.31 H new ATOM 0 HG23 THR A 33 -10.490 -2.197 -4.551 1.00 61.31 H new ATOM 507 N ASP A 34 -8.381 1.468 -7.365 1.00 32.23 N ATOM 508 CA ASP A 34 -7.463 2.449 -7.998 1.00 3.13 C ATOM 509 C ASP A 34 -7.733 3.897 -7.525 1.00 20.53 C ATOM 510 O ASP A 34 -6.801 4.705 -7.415 1.00 33.42 O ATOM 511 CB ASP A 34 -7.586 2.349 -9.541 1.00 4.33 C ATOM 512 CG ASP A 34 -6.663 3.310 -10.306 1.00 20.12 C ATOM 513 OD1 ASP A 34 -5.462 3.030 -10.390 1.00 41.21 O ATOM 514 OD2 ASP A 34 -7.142 4.339 -10.841 1.00 34.11 O ATOM 0 H ASP A 34 -8.894 0.906 -8.044 1.00 32.23 H new ATOM 0 HA ASP A 34 -6.446 2.203 -7.692 1.00 3.13 H new ATOM 0 HB2 ASP A 34 -7.363 1.327 -9.847 1.00 4.33 H new ATOM 0 HB3 ASP A 34 -8.619 2.549 -9.826 1.00 4.33 H new ATOM 519 N ALA A 35 -9.012 4.193 -7.232 1.00 61.04 N ATOM 520 CA ALA A 35 -9.455 5.524 -6.782 1.00 3.03 C ATOM 521 C ALA A 35 -8.819 5.924 -5.432 1.00 34.42 C ATOM 522 O ALA A 35 -8.476 7.093 -5.226 1.00 23.04 O ATOM 523 CB ALA A 35 -10.987 5.556 -6.698 1.00 64.32 C ATOM 0 H ALA A 35 -9.769 3.513 -7.301 1.00 61.04 H new ATOM 0 HA ALA A 35 -9.119 6.258 -7.515 1.00 3.03 H new ATOM 0 HB1 ALA A 35 -11.313 6.541 -6.365 1.00 64.32 H new ATOM 0 HB2 ALA A 35 -11.410 5.347 -7.681 1.00 64.32 H new ATOM 0 HB3 ALA A 35 -11.328 4.802 -5.989 1.00 64.32 H new ATOM 529 N LEU A 36 -8.642 4.942 -4.529 1.00 32.02 N ATOM 530 CA LEU A 36 -8.130 5.182 -3.158 1.00 4.40 C ATOM 531 C LEU A 36 -6.702 4.638 -2.987 1.00 4.11 C ATOM 532 O LEU A 36 -6.086 4.849 -1.939 1.00 41.22 O ATOM 533 CB LEU A 36 -9.087 4.552 -2.108 1.00 32.21 C ATOM 534 CG LEU A 36 -10.543 5.117 -2.080 1.00 50.40 C ATOM 535 CD1 LEU A 36 -11.383 4.440 -0.982 1.00 24.44 C ATOM 536 CD2 LEU A 36 -10.552 6.656 -1.918 1.00 74.25 C ATOM 0 H LEU A 36 -8.848 3.962 -4.723 1.00 32.02 H new ATOM 0 HA LEU A 36 -8.092 6.259 -2.997 1.00 4.40 H new ATOM 0 HB2 LEU A 36 -9.139 3.479 -2.291 1.00 32.21 H new ATOM 0 HB3 LEU A 36 -8.648 4.686 -1.119 1.00 32.21 H new ATOM 0 HG LEU A 36 -11.001 4.885 -3.042 1.00 50.40 H new ATOM 0 HD11 LEU A 36 -12.391 4.854 -0.988 1.00 24.44 H new ATOM 0 HD12 LEU A 36 -11.431 3.367 -1.170 1.00 24.44 H new ATOM 0 HD13 LEU A 36 -10.923 4.618 -0.010 1.00 24.44 H new ATOM 0 HD21 LEU A 36 -11.581 7.014 -1.903 1.00 74.25 H new ATOM 0 HD22 LEU A 36 -10.060 6.926 -0.984 1.00 74.25 H new ATOM 0 HD23 LEU A 36 -10.021 7.113 -2.753 1.00 74.25 H new ATOM 548 N ILE A 37 -6.199 3.898 -3.992 1.00 75.33 N ATOM 549 CA ILE A 37 -4.806 3.414 -4.015 1.00 35.12 C ATOM 550 C ILE A 37 -4.390 3.035 -5.453 1.00 44.13 C ATOM 551 O ILE A 37 -4.985 2.155 -6.077 1.00 54.41 O ATOM 552 CB ILE A 37 -4.583 2.214 -3.013 1.00 64.30 C ATOM 553 CG1 ILE A 37 -3.083 1.779 -2.960 1.00 53.04 C ATOM 554 CG2 ILE A 37 -5.513 1.019 -3.323 1.00 71.45 C ATOM 555 CD1 ILE A 37 -2.759 0.758 -1.875 1.00 21.53 C ATOM 0 H ILE A 37 -6.744 3.620 -4.808 1.00 75.33 H new ATOM 0 HA ILE A 37 -4.164 4.228 -3.677 1.00 35.12 H new ATOM 0 HB ILE A 37 -4.852 2.575 -2.020 1.00 64.30 H new ATOM 0 HG12 ILE A 37 -2.804 1.363 -3.928 1.00 53.04 H new ATOM 0 HG13 ILE A 37 -2.466 2.664 -2.804 1.00 53.04 H new ATOM 0 HG21 ILE A 37 -5.325 0.217 -2.609 1.00 71.45 H new ATOM 0 HG22 ILE A 37 -6.553 1.337 -3.246 1.00 71.45 H new ATOM 0 HG23 ILE A 37 -5.318 0.659 -4.333 1.00 71.45 H new ATOM 0 HD11 ILE A 37 -1.697 0.513 -1.911 1.00 21.53 H new ATOM 0 HD12 ILE A 37 -3.002 1.176 -0.898 1.00 21.53 H new ATOM 0 HD13 ILE A 37 -3.345 -0.146 -2.039 1.00 21.53 H new ATOM 567 N CYS A 38 -3.379 3.724 -5.979 1.00 3.24 N ATOM 568 CA CYS A 38 -2.900 3.539 -7.357 1.00 22.23 C ATOM 569 C CYS A 38 -1.367 3.539 -7.377 1.00 33.43 C ATOM 570 O CYS A 38 -0.744 4.235 -6.573 1.00 14.40 O ATOM 571 CB CYS A 38 -3.463 4.673 -8.237 1.00 2.43 C ATOM 572 SG CYS A 38 -3.147 6.338 -7.594 1.00 4.43 S ATOM 0 H CYS A 38 -2.862 4.434 -5.460 1.00 3.24 H new ATOM 0 HA CYS A 38 -3.243 2.582 -7.750 1.00 22.23 H new ATOM 0 HB2 CYS A 38 -3.031 4.593 -9.234 1.00 2.43 H new ATOM 0 HB3 CYS A 38 -4.539 4.535 -8.344 1.00 2.43 H new ATOM 0 HG CYS A 38 -3.656 7.219 -8.403 1.00 4.43 H new ATOM 578 N TRP A 39 -0.763 2.753 -8.291 1.00 52.03 N ATOM 579 CA TRP A 39 0.710 2.699 -8.464 1.00 74.52 C ATOM 580 C TRP A 39 1.233 3.991 -9.099 1.00 22.40 C ATOM 581 O TRP A 39 0.536 4.623 -9.897 1.00 23.23 O ATOM 582 CB TRP A 39 1.152 1.456 -9.309 1.00 62.13 C ATOM 583 CG TRP A 39 0.293 1.153 -10.525 1.00 1.44 C ATOM 584 CD1 TRP A 39 -0.750 0.263 -10.587 1.00 65.53 C ATOM 585 CD2 TRP A 39 0.406 1.720 -11.844 1.00 22.12 C ATOM 586 NE1 TRP A 39 -1.283 0.247 -11.845 1.00 43.34 N ATOM 587 CE2 TRP A 39 -0.602 1.132 -12.635 1.00 25.53 C ATOM 588 CE3 TRP A 39 1.248 2.672 -12.431 1.00 14.13 C ATOM 589 CZ2 TRP A 39 -0.781 1.456 -13.971 1.00 54.33 C ATOM 590 CZ3 TRP A 39 1.068 2.993 -13.762 1.00 14.31 C ATOM 591 CH2 TRP A 39 0.054 2.389 -14.519 1.00 15.22 C ATOM 0 H TRP A 39 -1.274 2.141 -8.927 1.00 52.03 H new ATOM 0 HA TRP A 39 1.148 2.596 -7.471 1.00 74.52 H new ATOM 0 HB2 TRP A 39 2.179 1.610 -9.641 1.00 62.13 H new ATOM 0 HB3 TRP A 39 1.155 0.580 -8.660 1.00 62.13 H new ATOM 0 HD1 TRP A 39 -1.099 -0.338 -9.760 1.00 65.53 H new ATOM 0 HE1 TRP A 39 -2.065 -0.333 -12.147 1.00 43.34 H new ATOM 0 HE3 TRP A 39 2.026 3.148 -11.852 1.00 14.13 H new ATOM 0 HZ2 TRP A 39 -1.555 0.986 -14.560 1.00 54.33 H new ATOM 0 HZ3 TRP A 39 1.718 3.720 -14.227 1.00 14.31 H new ATOM 0 HH2 TRP A 39 -0.070 2.666 -15.555 1.00 15.22 H new ATOM 602 N SER A 40 2.449 4.385 -8.727 1.00 52.33 N ATOM 603 CA SER A 40 3.146 5.521 -9.336 1.00 53.13 C ATOM 604 C SER A 40 3.766 5.067 -10.680 1.00 35.33 C ATOM 605 O SER A 40 4.075 3.875 -10.827 1.00 53.32 O ATOM 606 CB SER A 40 4.236 6.023 -8.363 1.00 43.44 C ATOM 607 OG SER A 40 3.693 6.316 -7.085 1.00 24.23 O ATOM 0 H SER A 40 2.983 3.924 -7.991 1.00 52.33 H new ATOM 0 HA SER A 40 2.453 6.339 -9.531 1.00 53.13 H new ATOM 0 HB2 SER A 40 5.015 5.267 -8.265 1.00 43.44 H new ATOM 0 HB3 SER A 40 4.709 6.916 -8.773 1.00 43.44 H new ATOM 0 HG SER A 40 4.368 6.144 -6.396 1.00 24.23 H new ATOM 613 N PRO A 41 3.938 5.982 -11.694 1.00 33.11 N ATOM 614 CA PRO A 41 4.567 5.629 -12.998 1.00 2.11 C ATOM 615 C PRO A 41 6.019 5.104 -12.865 1.00 33.42 C ATOM 616 O PRO A 41 6.529 4.447 -13.781 1.00 65.51 O ATOM 617 CB PRO A 41 4.495 6.946 -13.821 1.00 54.21 C ATOM 618 CG PRO A 41 4.265 8.033 -12.813 1.00 40.43 C ATOM 619 CD PRO A 41 3.476 7.400 -11.684 1.00 33.14 C ATOM 0 HA PRO A 41 4.046 4.800 -13.478 1.00 2.11 H new ATOM 0 HB2 PRO A 41 5.418 7.114 -14.376 1.00 54.21 H new ATOM 0 HB3 PRO A 41 3.686 6.910 -14.551 1.00 54.21 H new ATOM 0 HG2 PRO A 41 5.211 8.434 -12.450 1.00 40.43 H new ATOM 0 HG3 PRO A 41 3.715 8.864 -13.255 1.00 40.43 H new ATOM 0 HD2 PRO A 41 3.682 7.883 -10.729 1.00 33.14 H new ATOM 0 HD3 PRO A 41 2.402 7.474 -11.853 1.00 33.14 H new ATOM 627 N SER A 42 6.669 5.401 -11.722 1.00 12.52 N ATOM 628 CA SER A 42 7.987 4.836 -11.373 1.00 13.14 C ATOM 629 C SER A 42 7.893 3.314 -11.130 1.00 15.24 C ATOM 630 O SER A 42 8.831 2.569 -11.441 1.00 42.25 O ATOM 631 CB SER A 42 8.551 5.530 -10.115 1.00 25.44 C ATOM 632 OG SER A 42 8.736 6.914 -10.334 1.00 21.02 O ATOM 0 H SER A 42 6.296 6.037 -11.017 1.00 12.52 H new ATOM 0 HA SER A 42 8.659 5.011 -12.213 1.00 13.14 H new ATOM 0 HB2 SER A 42 7.870 5.380 -9.277 1.00 25.44 H new ATOM 0 HB3 SER A 42 9.501 5.073 -9.839 1.00 25.44 H new ATOM 0 HG SER A 42 9.092 7.329 -9.521 1.00 21.02 H new ATOM 638 N GLY A 43 6.759 2.883 -10.543 1.00 5.44 N ATOM 639 CA GLY A 43 6.502 1.472 -10.238 1.00 5.55 C ATOM 640 C GLY A 43 7.186 0.981 -8.968 1.00 25.24 C ATOM 641 O GLY A 43 6.988 -0.164 -8.568 1.00 11.45 O ATOM 0 H GLY A 43 6.000 3.507 -10.269 1.00 5.44 H new ATOM 0 HA2 GLY A 43 5.427 1.321 -10.142 1.00 5.55 H new ATOM 0 HA3 GLY A 43 6.835 0.862 -11.078 1.00 5.55 H new ATOM 645 N ASN A 44 7.971 1.869 -8.328 1.00 4.31 N ATOM 646 CA ASN A 44 8.721 1.571 -7.086 1.00 35.10 C ATOM 647 C ASN A 44 7.935 2.071 -5.864 1.00 52.20 C ATOM 648 O ASN A 44 8.407 1.962 -4.725 1.00 54.24 O ATOM 649 CB ASN A 44 10.125 2.259 -7.112 1.00 21.44 C ATOM 650 CG ASN A 44 11.092 1.777 -8.208 1.00 5.15 C ATOM 651 OD1 ASN A 44 10.604 1.490 -9.410 1.00 11.21 O flip ATOM 652 ND2 ASN A 44 12.302 1.702 -7.982 1.00 42.40 N flip ATOM 0 H ASN A 44 8.106 2.824 -8.660 1.00 4.31 H new ATOM 0 HA ASN A 44 8.855 0.491 -7.019 1.00 35.10 H new ATOM 0 HB2 ASN A 44 9.979 3.333 -7.230 1.00 21.44 H new ATOM 0 HB3 ASN A 44 10.600 2.107 -6.143 1.00 21.44 H new ATOM 0 HD21 ASN A 44 12.662 1.925 -7.054 1.00 42.40 H new ATOM 0 HD22 ASN A 44 12.942 1.417 -8.723 1.00 42.40 H new ATOM 659 N SER A 45 6.723 2.606 -6.110 1.00 24.44 N ATOM 660 CA SER A 45 5.931 3.316 -5.111 1.00 4.45 C ATOM 661 C SER A 45 4.446 3.316 -5.506 1.00 53.34 C ATOM 662 O SER A 45 4.085 2.929 -6.630 1.00 60.23 O ATOM 663 CB SER A 45 6.455 4.768 -4.968 1.00 74.21 C ATOM 664 OG SER A 45 6.530 5.426 -6.224 1.00 60.43 O ATOM 0 H SER A 45 6.269 2.551 -7.022 1.00 24.44 H new ATOM 0 HA SER A 45 6.028 2.808 -4.152 1.00 4.45 H new ATOM 0 HB2 SER A 45 5.798 5.328 -4.303 1.00 74.21 H new ATOM 0 HB3 SER A 45 7.442 4.755 -4.505 1.00 74.21 H new ATOM 0 HG SER A 45 6.862 6.339 -6.096 1.00 60.43 H new ATOM 670 N PHE A 46 3.595 3.746 -4.563 1.00 51.25 N ATOM 671 CA PHE A 46 2.145 3.897 -4.772 1.00 5.21 C ATOM 672 C PHE A 46 1.596 5.018 -3.885 1.00 24.35 C ATOM 673 O PHE A 46 2.143 5.297 -2.828 1.00 31.42 O ATOM 674 CB PHE A 46 1.401 2.565 -4.487 1.00 43.20 C ATOM 675 CG PHE A 46 1.565 1.991 -3.071 1.00 10.52 C ATOM 676 CD1 PHE A 46 2.655 1.187 -2.747 1.00 4.13 C ATOM 677 CD2 PHE A 46 0.614 2.232 -2.077 1.00 23.44 C ATOM 678 CE1 PHE A 46 2.791 0.647 -1.484 1.00 22.04 C ATOM 679 CE2 PHE A 46 0.751 1.686 -0.814 1.00 65.53 C ATOM 680 CZ PHE A 46 1.839 0.894 -0.518 1.00 21.55 C ATOM 0 H PHE A 46 3.896 4.002 -3.623 1.00 51.25 H new ATOM 0 HA PHE A 46 1.976 4.161 -5.816 1.00 5.21 H new ATOM 0 HB2 PHE A 46 0.338 2.718 -4.675 1.00 43.20 H new ATOM 0 HB3 PHE A 46 1.747 1.819 -5.202 1.00 43.20 H new ATOM 0 HD1 PHE A 46 3.406 0.983 -3.496 1.00 4.13 H new ATOM 0 HD2 PHE A 46 -0.241 2.854 -2.298 1.00 23.44 H new ATOM 0 HE1 PHE A 46 3.646 0.029 -1.252 1.00 22.04 H new ATOM 0 HE2 PHE A 46 0.004 1.881 -0.058 1.00 65.53 H new ATOM 0 HZ PHE A 46 1.946 0.468 0.469 1.00 21.55 H new ATOM 690 N HIS A 47 0.497 5.630 -4.328 1.00 43.15 N ATOM 691 CA HIS A 47 -0.219 6.671 -3.581 1.00 34.01 C ATOM 692 C HIS A 47 -1.465 6.059 -2.927 1.00 71.25 C ATOM 693 O HIS A 47 -2.105 5.175 -3.508 1.00 3.44 O ATOM 694 CB HIS A 47 -0.624 7.846 -4.509 1.00 42.13 C ATOM 695 CG HIS A 47 0.524 8.673 -5.014 1.00 54.35 C ATOM 696 ND1 HIS A 47 0.758 9.957 -4.597 1.00 10.41 N ATOM 697 CD2 HIS A 47 1.484 8.408 -5.925 1.00 41.20 C ATOM 698 CE1 HIS A 47 1.789 10.445 -5.229 1.00 53.42 C ATOM 699 NE2 HIS A 47 2.257 9.525 -6.042 1.00 51.34 N ATOM 0 H HIS A 47 0.071 5.415 -5.229 1.00 43.15 H new ATOM 0 HA HIS A 47 0.443 7.067 -2.811 1.00 34.01 H new ATOM 0 HB2 HIS A 47 -1.168 7.445 -5.364 1.00 42.13 H new ATOM 0 HB3 HIS A 47 -1.313 8.496 -3.969 1.00 42.13 H new ATOM 0 HD2 HIS A 47 1.616 7.481 -6.463 1.00 41.20 H new ATOM 0 HE1 HIS A 47 2.191 11.440 -5.105 1.00 53.42 H new ATOM 0 HE2 HIS A 47 3.064 9.629 -6.658 1.00 51.34 H new ATOM 708 N VAL A 48 -1.790 6.550 -1.723 1.00 71.11 N ATOM 709 CA VAL A 48 -2.968 6.154 -0.945 1.00 72.25 C ATOM 710 C VAL A 48 -3.786 7.420 -0.665 1.00 74.44 C ATOM 711 O VAL A 48 -3.291 8.369 -0.042 1.00 73.45 O ATOM 712 CB VAL A 48 -2.601 5.444 0.417 1.00 64.13 C ATOM 713 CG1 VAL A 48 -3.874 5.127 1.249 1.00 5.02 C ATOM 714 CG2 VAL A 48 -1.784 4.155 0.168 1.00 55.44 C ATOM 0 H VAL A 48 -1.223 7.254 -1.251 1.00 71.11 H new ATOM 0 HA VAL A 48 -3.534 5.425 -1.525 1.00 72.25 H new ATOM 0 HB VAL A 48 -1.985 6.136 0.991 1.00 64.13 H new ATOM 0 HG11 VAL A 48 -3.588 4.639 2.180 1.00 5.02 H new ATOM 0 HG12 VAL A 48 -4.403 6.054 1.473 1.00 5.02 H new ATOM 0 HG13 VAL A 48 -4.526 4.466 0.678 1.00 5.02 H new ATOM 0 HG21 VAL A 48 -1.545 3.686 1.122 1.00 55.44 H new ATOM 0 HG22 VAL A 48 -2.370 3.465 -0.439 1.00 55.44 H new ATOM 0 HG23 VAL A 48 -0.861 4.405 -0.355 1.00 55.44 H new ATOM 724 N PHE A 49 -5.032 7.418 -1.122 1.00 2.11 N ATOM 725 CA PHE A 49 -5.939 8.552 -1.013 1.00 52.15 C ATOM 726 C PHE A 49 -6.987 8.275 0.056 1.00 2.34 C ATOM 727 O PHE A 49 -7.402 7.118 0.229 1.00 40.40 O ATOM 728 CB PHE A 49 -6.633 8.811 -2.366 1.00 2.35 C ATOM 729 CG PHE A 49 -5.688 9.248 -3.476 1.00 75.30 C ATOM 730 CD1 PHE A 49 -4.988 8.312 -4.238 1.00 71.23 C ATOM 731 CD2 PHE A 49 -5.503 10.601 -3.758 1.00 72.02 C ATOM 732 CE1 PHE A 49 -4.134 8.716 -5.244 1.00 25.25 C ATOM 733 CE2 PHE A 49 -4.655 11.001 -4.757 1.00 42.35 C ATOM 734 CZ PHE A 49 -3.968 10.061 -5.504 1.00 0.44 C ATOM 0 H PHE A 49 -5.448 6.612 -1.588 1.00 2.11 H new ATOM 0 HA PHE A 49 -5.365 9.436 -0.735 1.00 52.15 H new ATOM 0 HB2 PHE A 49 -7.147 7.902 -2.678 1.00 2.35 H new ATOM 0 HB3 PHE A 49 -7.396 9.578 -2.230 1.00 2.35 H new ATOM 0 HD1 PHE A 49 -5.116 7.258 -4.038 1.00 71.23 H new ATOM 0 HD2 PHE A 49 -6.035 11.343 -3.181 1.00 72.02 H new ATOM 0 HE1 PHE A 49 -3.597 7.982 -5.826 1.00 25.25 H new ATOM 0 HE2 PHE A 49 -4.523 12.053 -4.962 1.00 42.35 H new ATOM 0 HZ PHE A 49 -3.301 10.380 -6.291 1.00 0.44 H new ATOM 744 N ASP A 50 -7.409 9.360 0.745 1.00 34.12 N ATOM 745 CA ASP A 50 -8.541 9.367 1.688 1.00 21.43 C ATOM 746 C ASP A 50 -8.406 8.257 2.743 1.00 2.15 C ATOM 747 O ASP A 50 -9.200 7.334 2.755 1.00 25.30 O ATOM 748 CB ASP A 50 -9.881 9.249 0.895 1.00 25.12 C ATOM 749 CG ASP A 50 -10.140 10.461 -0.009 1.00 2.50 C ATOM 750 OD1 ASP A 50 -10.673 11.470 0.489 1.00 4.40 O ATOM 751 OD2 ASP A 50 -9.783 10.424 -1.210 1.00 45.10 O ATOM 0 H ASP A 50 -6.960 10.272 0.656 1.00 34.12 H new ATOM 0 HA ASP A 50 -8.539 10.312 2.232 1.00 21.43 H new ATOM 0 HB2 ASP A 50 -9.861 8.345 0.287 1.00 25.12 H new ATOM 0 HB3 ASP A 50 -10.707 9.142 1.598 1.00 25.12 H new ATOM 756 N GLN A 51 -7.372 8.353 3.605 1.00 23.01 N ATOM 757 CA GLN A 51 -7.020 7.284 4.591 1.00 22.52 C ATOM 758 C GLN A 51 -8.217 6.852 5.471 1.00 63.05 C ATOM 759 O GLN A 51 -8.254 5.722 5.945 1.00 54.52 O ATOM 760 CB GLN A 51 -5.855 7.731 5.510 1.00 62.41 C ATOM 761 CG GLN A 51 -4.551 8.120 4.777 1.00 53.45 C ATOM 762 CD GLN A 51 -3.404 8.448 5.736 1.00 73.30 C ATOM 763 OE1 GLN A 51 -2.167 8.299 5.280 1.00 42.14 O flip ATOM 764 NE2 GLN A 51 -3.629 8.865 6.874 1.00 54.02 N flip ATOM 0 H GLN A 51 -6.755 9.164 3.645 1.00 23.01 H new ATOM 0 HA GLN A 51 -6.715 6.425 3.994 1.00 22.52 H new ATOM 0 HB2 GLN A 51 -6.188 8.583 6.103 1.00 62.41 H new ATOM 0 HB3 GLN A 51 -5.634 6.924 6.208 1.00 62.41 H new ATOM 0 HG2 GLN A 51 -4.249 7.301 4.124 1.00 53.45 H new ATOM 0 HG3 GLN A 51 -4.742 8.983 4.139 1.00 53.45 H new ATOM 0 HE21 GLN A 51 -4.590 8.970 7.198 1.00 54.02 H new ATOM 0 HE22 GLN A 51 -2.854 9.105 7.492 1.00 54.02 H new ATOM 773 N GLY A 52 -9.162 7.780 5.699 1.00 32.34 N ATOM 774 CA GLY A 52 -10.390 7.496 6.442 1.00 0.12 C ATOM 775 C GLY A 52 -11.313 6.545 5.686 1.00 4.14 C ATOM 776 O GLY A 52 -11.785 5.555 6.250 1.00 61.34 O ATOM 0 H GLY A 52 -9.091 8.744 5.372 1.00 32.34 H new ATOM 0 HA2 GLY A 52 -10.136 7.061 7.409 1.00 0.12 H new ATOM 0 HA3 GLY A 52 -10.917 8.429 6.641 1.00 0.12 H new ATOM 780 N GLN A 53 -11.546 6.841 4.396 1.00 63.10 N ATOM 781 CA GLN A 53 -12.439 6.043 3.528 1.00 12.13 C ATOM 782 C GLN A 53 -11.768 4.703 3.158 1.00 52.21 C ATOM 783 O GLN A 53 -12.398 3.649 3.219 1.00 33.14 O ATOM 784 CB GLN A 53 -12.792 6.861 2.249 1.00 42.12 C ATOM 785 CG GLN A 53 -13.791 6.183 1.277 1.00 43.42 C ATOM 786 CD GLN A 53 -15.164 5.896 1.897 1.00 51.32 C ATOM 787 OE1 GLN A 53 -15.623 6.593 2.797 1.00 2.13 O ATOM 788 NE2 GLN A 53 -15.838 4.873 1.405 1.00 43.04 N ATOM 0 H GLN A 53 -11.122 7.639 3.923 1.00 63.10 H new ATOM 0 HA GLN A 53 -13.361 5.820 4.065 1.00 12.13 H new ATOM 0 HB2 GLN A 53 -13.206 7.821 2.556 1.00 42.12 H new ATOM 0 HB3 GLN A 53 -11.870 7.070 1.707 1.00 42.12 H new ATOM 0 HG2 GLN A 53 -13.924 6.822 0.404 1.00 43.42 H new ATOM 0 HG3 GLN A 53 -13.360 5.246 0.924 1.00 43.42 H new ATOM 0 HE21 GLN A 53 -15.435 4.309 0.657 1.00 43.04 H new ATOM 0 HE22 GLN A 53 -16.762 4.647 1.773 1.00 43.04 H new ATOM 797 N PHE A 54 -10.482 4.789 2.776 1.00 1.54 N ATOM 798 CA PHE A 54 -9.607 3.649 2.438 1.00 71.44 C ATOM 799 C PHE A 54 -9.570 2.607 3.573 1.00 24.10 C ATOM 800 O PHE A 54 -9.768 1.423 3.346 1.00 13.43 O ATOM 801 CB PHE A 54 -8.174 4.199 2.135 1.00 50.20 C ATOM 802 CG PHE A 54 -7.092 3.147 1.855 1.00 54.31 C ATOM 803 CD1 PHE A 54 -6.887 2.653 0.569 1.00 12.43 C ATOM 804 CD2 PHE A 54 -6.270 2.661 2.881 1.00 52.24 C ATOM 805 CE1 PHE A 54 -5.908 1.710 0.321 1.00 42.43 C ATOM 806 CE2 PHE A 54 -5.295 1.721 2.624 1.00 42.21 C ATOM 807 CZ PHE A 54 -5.114 1.244 1.346 1.00 42.22 C ATOM 0 H PHE A 54 -10.004 5.686 2.691 1.00 1.54 H new ATOM 0 HA PHE A 54 -10.002 3.139 1.559 1.00 71.44 H new ATOM 0 HB2 PHE A 54 -8.237 4.864 1.274 1.00 50.20 H new ATOM 0 HB3 PHE A 54 -7.853 4.804 2.982 1.00 50.20 H new ATOM 0 HD1 PHE A 54 -7.501 3.011 -0.244 1.00 12.43 H new ATOM 0 HD2 PHE A 54 -6.402 3.028 3.888 1.00 52.24 H new ATOM 0 HE1 PHE A 54 -5.764 1.336 -0.682 1.00 42.43 H new ATOM 0 HE2 PHE A 54 -4.672 1.358 3.428 1.00 42.21 H new ATOM 0 HZ PHE A 54 -4.351 0.506 1.147 1.00 42.22 H new ATOM 817 N ALA A 55 -9.303 3.066 4.793 1.00 13.32 N ATOM 818 CA ALA A 55 -9.228 2.180 5.970 1.00 20.52 C ATOM 819 C ALA A 55 -10.597 1.574 6.334 1.00 10.44 C ATOM 820 O ALA A 55 -10.673 0.460 6.857 1.00 63.14 O ATOM 821 CB ALA A 55 -8.633 2.936 7.152 1.00 22.10 C ATOM 0 H ALA A 55 -9.133 4.050 5.001 1.00 13.32 H new ATOM 0 HA ALA A 55 -8.576 1.344 5.716 1.00 20.52 H new ATOM 0 HB1 ALA A 55 -8.581 2.275 8.017 1.00 22.10 H new ATOM 0 HB2 ALA A 55 -7.631 3.280 6.897 1.00 22.10 H new ATOM 0 HB3 ALA A 55 -9.262 3.795 7.388 1.00 22.10 H new ATOM 827 N LYS A 56 -11.658 2.323 6.027 1.00 70.44 N ATOM 828 CA LYS A 56 -13.044 1.945 6.329 1.00 42.24 C ATOM 829 C LYS A 56 -13.542 0.790 5.420 1.00 15.34 C ATOM 830 O LYS A 56 -14.200 -0.133 5.905 1.00 13.15 O ATOM 831 CB LYS A 56 -13.921 3.244 6.264 1.00 31.24 C ATOM 832 CG LYS A 56 -15.445 3.098 5.996 1.00 33.35 C ATOM 833 CD LYS A 56 -15.804 3.106 4.482 1.00 4.05 C ATOM 834 CE LYS A 56 -17.317 3.119 4.224 1.00 44.13 C ATOM 835 NZ LYS A 56 -18.045 2.038 4.952 1.00 32.21 N ATOM 0 H LYS A 56 -11.579 3.223 5.554 1.00 70.44 H new ATOM 0 HA LYS A 56 -13.121 1.533 7.335 1.00 42.24 H new ATOM 0 HB2 LYS A 56 -13.800 3.773 7.209 1.00 31.24 H new ATOM 0 HB3 LYS A 56 -13.507 3.884 5.485 1.00 31.24 H new ATOM 0 HG2 LYS A 56 -15.798 2.168 6.442 1.00 33.35 H new ATOM 0 HG3 LYS A 56 -15.974 3.911 6.493 1.00 33.35 H new ATOM 0 HD2 LYS A 56 -15.353 3.980 4.012 1.00 4.05 H new ATOM 0 HD3 LYS A 56 -15.367 2.228 4.006 1.00 4.05 H new ATOM 0 HE2 LYS A 56 -17.722 4.086 4.522 1.00 44.13 H new ATOM 0 HE3 LYS A 56 -17.498 3.014 3.154 1.00 44.13 H new ATOM 0 HZ1 LYS A 56 -19.047 2.045 4.673 1.00 32.21 H new ATOM 0 HZ2 LYS A 56 -17.626 1.116 4.714 1.00 32.21 H new ATOM 0 HZ3 LYS A 56 -17.970 2.198 5.977 1.00 32.21 H new ATOM 849 N GLU A 57 -13.238 0.848 4.104 1.00 30.44 N ATOM 850 CA GLU A 57 -13.729 -0.169 3.129 1.00 50.41 C ATOM 851 C GLU A 57 -12.614 -1.102 2.611 1.00 31.23 C ATOM 852 O GLU A 57 -12.794 -2.323 2.580 1.00 51.03 O ATOM 853 CB GLU A 57 -14.453 0.499 1.928 1.00 75.21 C ATOM 854 CG GLU A 57 -13.633 1.553 1.150 1.00 61.14 C ATOM 855 CD GLU A 57 -14.236 1.906 -0.217 1.00 12.25 C ATOM 856 OE1 GLU A 57 -15.327 2.513 -0.250 1.00 71.30 O ATOM 857 OE2 GLU A 57 -13.643 1.564 -1.264 1.00 1.04 O ATOM 0 H GLU A 57 -12.660 1.579 3.689 1.00 30.44 H new ATOM 0 HA GLU A 57 -14.439 -0.784 3.681 1.00 50.41 H new ATOM 0 HB2 GLU A 57 -14.758 -0.282 1.232 1.00 75.21 H new ATOM 0 HB3 GLU A 57 -15.363 0.973 2.295 1.00 75.21 H new ATOM 0 HG2 GLU A 57 -13.557 2.459 1.751 1.00 61.14 H new ATOM 0 HG3 GLU A 57 -12.619 1.180 1.006 1.00 61.14 H new ATOM 864 N VAL A 58 -11.462 -0.535 2.235 1.00 42.24 N ATOM 865 CA VAL A 58 -10.415 -1.247 1.469 1.00 64.23 C ATOM 866 C VAL A 58 -9.599 -2.201 2.369 1.00 11.21 C ATOM 867 O VAL A 58 -9.279 -3.327 1.956 1.00 62.21 O ATOM 868 CB VAL A 58 -9.449 -0.227 0.764 1.00 72.23 C ATOM 869 CG1 VAL A 58 -8.294 -0.941 0.043 1.00 25.10 C ATOM 870 CG2 VAL A 58 -10.218 0.700 -0.212 1.00 30.41 C ATOM 0 H VAL A 58 -11.222 0.433 2.451 1.00 42.24 H new ATOM 0 HA VAL A 58 -10.922 -1.843 0.710 1.00 64.23 H new ATOM 0 HB VAL A 58 -9.016 0.394 1.548 1.00 72.23 H new ATOM 0 HG11 VAL A 58 -7.649 -0.202 -0.432 1.00 25.10 H new ATOM 0 HG12 VAL A 58 -7.715 -1.517 0.765 1.00 25.10 H new ATOM 0 HG13 VAL A 58 -8.698 -1.611 -0.716 1.00 25.10 H new ATOM 0 HG21 VAL A 58 -9.520 1.393 -0.682 1.00 30.41 H new ATOM 0 HG22 VAL A 58 -10.704 0.097 -0.980 1.00 30.41 H new ATOM 0 HG23 VAL A 58 -10.972 1.263 0.339 1.00 30.41 H new ATOM 880 N LEU A 59 -9.248 -1.735 3.581 1.00 61.45 N ATOM 881 CA LEU A 59 -8.467 -2.548 4.530 1.00 21.54 C ATOM 882 C LEU A 59 -9.243 -3.810 5.008 1.00 11.22 C ATOM 883 O LEU A 59 -8.668 -4.881 4.970 1.00 53.43 O ATOM 884 CB LEU A 59 -7.928 -1.712 5.725 1.00 35.25 C ATOM 885 CG LEU A 59 -6.822 -0.669 5.390 1.00 23.30 C ATOM 886 CD1 LEU A 59 -6.272 -0.009 6.670 1.00 24.50 C ATOM 887 CD2 LEU A 59 -5.685 -1.297 4.559 1.00 11.25 C ATOM 0 H LEU A 59 -9.491 -0.806 3.925 1.00 61.45 H new ATOM 0 HA LEU A 59 -7.596 -2.904 3.979 1.00 21.54 H new ATOM 0 HB2 LEU A 59 -8.767 -1.187 6.182 1.00 35.25 H new ATOM 0 HB3 LEU A 59 -7.535 -2.399 6.475 1.00 35.25 H new ATOM 0 HG LEU A 59 -7.282 0.110 4.782 1.00 23.30 H new ATOM 0 HD11 LEU A 59 -5.501 0.715 6.404 1.00 24.50 H new ATOM 0 HD12 LEU A 59 -7.081 0.499 7.194 1.00 24.50 H new ATOM 0 HD13 LEU A 59 -5.844 -0.773 7.318 1.00 24.50 H new ATOM 0 HD21 LEU A 59 -4.931 -0.540 4.344 1.00 11.25 H new ATOM 0 HD22 LEU A 59 -5.230 -2.112 5.122 1.00 11.25 H new ATOM 0 HD23 LEU A 59 -6.089 -1.683 3.623 1.00 11.25 H new ATOM 899 N PRO A 60 -10.546 -3.731 5.479 1.00 24.13 N ATOM 900 CA PRO A 60 -11.321 -4.960 5.828 1.00 33.23 C ATOM 901 C PRO A 60 -11.728 -5.785 4.587 1.00 54.51 C ATOM 902 O PRO A 60 -12.289 -6.876 4.730 1.00 51.24 O ATOM 903 CB PRO A 60 -12.560 -4.396 6.573 1.00 70.20 C ATOM 904 CG PRO A 60 -12.740 -3.021 6.014 1.00 11.14 C ATOM 905 CD PRO A 60 -11.339 -2.498 5.767 1.00 55.35 C ATOM 0 HA PRO A 60 -10.738 -5.660 6.426 1.00 33.23 H new ATOM 0 HB2 PRO A 60 -13.442 -5.013 6.400 1.00 70.20 H new ATOM 0 HB3 PRO A 60 -12.397 -4.368 7.650 1.00 70.20 H new ATOM 0 HG2 PRO A 60 -13.318 -3.045 5.090 1.00 11.14 H new ATOM 0 HG3 PRO A 60 -13.280 -2.381 6.712 1.00 11.14 H new ATOM 0 HD2 PRO A 60 -11.314 -1.801 4.929 1.00 55.35 H new ATOM 0 HD3 PRO A 60 -10.951 -1.966 6.636 1.00 55.35 H new ATOM 913 N LYS A 61 -11.482 -5.241 3.381 1.00 42.44 N ATOM 914 CA LYS A 61 -11.713 -5.954 2.116 1.00 73.03 C ATOM 915 C LYS A 61 -10.549 -6.930 1.814 1.00 65.21 C ATOM 916 O LYS A 61 -10.733 -8.150 1.842 1.00 33.21 O ATOM 917 CB LYS A 61 -11.912 -4.930 0.965 1.00 32.31 C ATOM 918 CG LYS A 61 -12.401 -5.530 -0.361 1.00 70.44 C ATOM 919 CD LYS A 61 -12.698 -4.459 -1.440 1.00 24.43 C ATOM 920 CE LYS A 61 -13.311 -5.067 -2.712 1.00 31.44 C ATOM 921 NZ LYS A 61 -13.701 -4.027 -3.697 1.00 1.12 N ATOM 0 H LYS A 61 -11.118 -4.296 3.259 1.00 42.44 H new ATOM 0 HA LYS A 61 -12.620 -6.551 2.204 1.00 73.03 H new ATOM 0 HB2 LYS A 61 -12.628 -4.175 1.290 1.00 32.31 H new ATOM 0 HB3 LYS A 61 -10.967 -4.417 0.788 1.00 32.31 H new ATOM 0 HG2 LYS A 61 -11.647 -6.220 -0.740 1.00 70.44 H new ATOM 0 HG3 LYS A 61 -13.304 -6.113 -0.178 1.00 70.44 H new ATOM 0 HD2 LYS A 61 -13.380 -3.714 -1.031 1.00 24.43 H new ATOM 0 HD3 LYS A 61 -11.775 -3.939 -1.697 1.00 24.43 H new ATOM 0 HE2 LYS A 61 -12.593 -5.748 -3.170 1.00 31.44 H new ATOM 0 HE3 LYS A 61 -14.186 -5.659 -2.445 1.00 31.44 H new ATOM 0 HZ1 LYS A 61 -14.274 -4.459 -4.450 1.00 1.12 H new ATOM 0 HZ2 LYS A 61 -14.256 -3.288 -3.220 1.00 1.12 H new ATOM 0 HZ3 LYS A 61 -12.846 -3.604 -4.112 1.00 1.12 H new ATOM 935 N TYR A 62 -9.348 -6.380 1.552 1.00 71.33 N ATOM 936 CA TYR A 62 -8.152 -7.177 1.168 1.00 64.35 C ATOM 937 C TYR A 62 -7.499 -7.827 2.383 1.00 40.24 C ATOM 938 O TYR A 62 -7.045 -8.972 2.319 1.00 30.34 O ATOM 939 CB TYR A 62 -7.132 -6.293 0.403 1.00 71.42 C ATOM 940 CG TYR A 62 -7.576 -5.980 -1.028 1.00 23.34 C ATOM 941 CD1 TYR A 62 -8.655 -5.129 -1.274 1.00 74.34 C ATOM 942 CD2 TYR A 62 -6.936 -6.558 -2.127 1.00 35.23 C ATOM 943 CE1 TYR A 62 -9.074 -4.865 -2.554 1.00 72.32 C ATOM 944 CE2 TYR A 62 -7.355 -6.293 -3.413 1.00 30.32 C ATOM 945 CZ TYR A 62 -8.423 -5.443 -3.619 1.00 5.25 C ATOM 946 OH TYR A 62 -8.835 -5.171 -4.896 1.00 51.12 O ATOM 0 H TYR A 62 -9.173 -5.376 1.598 1.00 71.33 H new ATOM 0 HA TYR A 62 -8.484 -7.977 0.506 1.00 64.35 H new ATOM 0 HB2 TYR A 62 -6.988 -5.359 0.946 1.00 71.42 H new ATOM 0 HB3 TYR A 62 -6.167 -6.799 0.377 1.00 71.42 H new ATOM 0 HD1 TYR A 62 -9.169 -4.670 -0.442 1.00 74.34 H new ATOM 0 HD2 TYR A 62 -6.100 -7.223 -1.966 1.00 35.23 H new ATOM 0 HE1 TYR A 62 -9.912 -4.206 -2.725 1.00 72.32 H new ATOM 0 HE2 TYR A 62 -6.851 -6.747 -4.254 1.00 30.32 H new ATOM 0 HH TYR A 62 -8.776 -4.207 -5.061 1.00 51.12 H new ATOM 956 N PHE A 63 -7.444 -7.074 3.477 1.00 43.04 N ATOM 957 CA PHE A 63 -6.883 -7.535 4.757 1.00 21.01 C ATOM 958 C PHE A 63 -8.054 -7.819 5.720 1.00 30.12 C ATOM 959 O PHE A 63 -9.217 -7.836 5.297 1.00 43.52 O ATOM 960 CB PHE A 63 -5.898 -6.460 5.303 1.00 35.31 C ATOM 961 CG PHE A 63 -4.873 -5.991 4.263 1.00 1.40 C ATOM 962 CD1 PHE A 63 -3.764 -6.775 3.942 1.00 61.11 C ATOM 963 CD2 PHE A 63 -5.042 -4.782 3.582 1.00 43.30 C ATOM 964 CE1 PHE A 63 -2.861 -6.359 2.983 1.00 4.21 C ATOM 965 CE2 PHE A 63 -4.139 -4.374 2.621 1.00 0.50 C ATOM 966 CZ PHE A 63 -3.047 -5.162 2.322 1.00 12.15 C ATOM 0 H PHE A 63 -7.790 -6.115 3.507 1.00 43.04 H new ATOM 0 HA PHE A 63 -6.312 -8.456 4.639 1.00 21.01 H new ATOM 0 HB2 PHE A 63 -6.468 -5.600 5.654 1.00 35.31 H new ATOM 0 HB3 PHE A 63 -5.370 -6.866 6.166 1.00 35.31 H new ATOM 0 HD1 PHE A 63 -3.610 -7.716 4.448 1.00 61.11 H new ATOM 0 HD2 PHE A 63 -5.893 -4.157 3.811 1.00 43.30 H new ATOM 0 HE1 PHE A 63 -2.005 -6.974 2.749 1.00 4.21 H new ATOM 0 HE2 PHE A 63 -4.287 -3.438 2.103 1.00 0.50 H new ATOM 0 HZ PHE A 63 -2.339 -4.843 1.572 1.00 12.15 H new ATOM 976 N LYS A 64 -7.768 -8.052 7.006 1.00 74.53 N ATOM 977 CA LYS A 64 -8.794 -8.445 8.005 1.00 20.53 C ATOM 978 C LYS A 64 -8.752 -7.496 9.217 1.00 4.52 C ATOM 979 O LYS A 64 -8.822 -7.924 10.377 1.00 34.10 O ATOM 980 CB LYS A 64 -8.560 -9.927 8.401 1.00 35.23 C ATOM 981 CG LYS A 64 -8.829 -10.942 7.256 1.00 21.42 C ATOM 982 CD LYS A 64 -8.260 -12.352 7.532 1.00 10.23 C ATOM 983 CE LYS A 64 -6.722 -12.370 7.590 1.00 32.44 C ATOM 984 NZ LYS A 64 -6.188 -13.752 7.679 1.00 4.44 N ATOM 0 H LYS A 64 -6.827 -7.977 7.392 1.00 74.53 H new ATOM 0 HA LYS A 64 -9.794 -8.360 7.580 1.00 20.53 H new ATOM 0 HB2 LYS A 64 -7.530 -10.043 8.740 1.00 35.23 H new ATOM 0 HB3 LYS A 64 -9.203 -10.171 9.247 1.00 35.23 H new ATOM 0 HG2 LYS A 64 -9.904 -11.019 7.095 1.00 21.42 H new ATOM 0 HG3 LYS A 64 -8.395 -10.559 6.333 1.00 21.42 H new ATOM 0 HD2 LYS A 64 -8.660 -12.722 8.476 1.00 10.23 H new ATOM 0 HD3 LYS A 64 -8.598 -13.035 6.753 1.00 10.23 H new ATOM 0 HE2 LYS A 64 -6.319 -11.882 6.703 1.00 32.44 H new ATOM 0 HE3 LYS A 64 -6.384 -11.794 8.452 1.00 32.44 H new ATOM 0 HZ1 LYS A 64 -5.149 -13.721 7.716 1.00 4.44 H new ATOM 0 HZ2 LYS A 64 -6.552 -14.210 8.539 1.00 4.44 H new ATOM 0 HZ3 LYS A 64 -6.489 -14.295 6.844 1.00 4.44 H new ATOM 998 N HIS A 65 -8.671 -6.192 8.916 1.00 23.22 N ATOM 999 CA HIS A 65 -8.625 -5.110 9.924 1.00 42.31 C ATOM 1000 C HIS A 65 -9.055 -3.792 9.262 1.00 72.20 C ATOM 1001 O HIS A 65 -8.997 -3.676 8.043 1.00 73.33 O ATOM 1002 CB HIS A 65 -7.198 -4.968 10.519 1.00 50.10 C ATOM 1003 CG HIS A 65 -6.188 -4.311 9.599 1.00 51.43 C ATOM 1004 ND1 HIS A 65 -5.641 -4.729 8.433 1.00 53.05 N flip ATOM 1005 CD2 HIS A 65 -5.638 -3.072 9.848 1.00 1.40 C flip ATOM 1006 CE1 HIS A 65 -4.788 -3.749 8.001 1.00 74.22 C flip ATOM 1007 NE2 HIS A 65 -4.807 -2.763 8.874 1.00 24.43 N flip ATOM 0 H HIS A 65 -8.635 -5.850 7.956 1.00 23.22 H new ATOM 0 HA HIS A 65 -9.306 -5.354 10.740 1.00 42.31 H new ATOM 0 HB2 HIS A 65 -7.260 -4.389 11.440 1.00 50.10 H new ATOM 0 HB3 HIS A 65 -6.832 -5.959 10.789 1.00 50.10 H new ATOM 0 HD1 HIS A 65 -5.830 -5.614 7.962 1.00 53.05 H new ATOM 0 HD2 HIS A 65 -5.854 -2.453 10.706 1.00 1.40 H new ATOM 0 HE1 HIS A 65 -4.199 -3.779 7.096 1.00 74.22 H new ATOM 1016 N ASN A 66 -9.437 -2.787 10.062 1.00 34.04 N ATOM 1017 CA ASN A 66 -9.866 -1.464 9.536 1.00 24.02 C ATOM 1018 C ASN A 66 -8.887 -0.350 9.940 1.00 22.23 C ATOM 1019 O ASN A 66 -8.886 0.712 9.324 1.00 43.11 O ATOM 1020 CB ASN A 66 -11.305 -1.079 10.004 1.00 63.32 C ATOM 1021 CG ASN A 66 -12.387 -2.102 9.660 1.00 11.34 C ATOM 1022 OD1 ASN A 66 -12.182 -3.311 9.752 1.00 20.32 O ATOM 1023 ND2 ASN A 66 -13.552 -1.625 9.242 1.00 1.53 N ATOM 0 H ASN A 66 -9.461 -2.856 11.079 1.00 34.04 H new ATOM 0 HA ASN A 66 -9.871 -1.561 8.450 1.00 24.02 H new ATOM 0 HB2 ASN A 66 -11.293 -0.933 11.084 1.00 63.32 H new ATOM 0 HB3 ASN A 66 -11.574 -0.122 9.556 1.00 63.32 H new ATOM 0 HD21 ASN A 66 -14.304 -2.266 8.988 1.00 1.53 H new ATOM 0 HD22 ASN A 66 -13.696 -0.617 9.175 1.00 1.53 H new ATOM 1030 N ASN A 67 -8.070 -0.581 10.984 1.00 61.12 N ATOM 1031 CA ASN A 67 -7.183 0.468 11.548 1.00 33.13 C ATOM 1032 C ASN A 67 -6.015 0.785 10.585 1.00 72.01 C ATOM 1033 O ASN A 67 -5.158 -0.074 10.336 1.00 74.13 O ATOM 1034 CB ASN A 67 -6.661 0.038 12.943 1.00 10.12 C ATOM 1035 CG ASN A 67 -5.863 1.131 13.652 1.00 62.52 C ATOM 1036 OD1 ASN A 67 -4.642 1.184 13.562 1.00 61.52 O ATOM 1037 ND2 ASN A 67 -6.552 2.016 14.357 1.00 54.24 N ATOM 0 H ASN A 67 -8.002 -1.482 11.458 1.00 61.12 H new ATOM 0 HA ASN A 67 -7.764 1.382 11.668 1.00 33.13 H new ATOM 0 HB2 ASN A 67 -7.507 -0.248 13.568 1.00 10.12 H new ATOM 0 HB3 ASN A 67 -6.034 -0.846 12.832 1.00 10.12 H new ATOM 0 HD21 ASN A 67 -6.067 2.769 14.845 1.00 54.24 H new ATOM 0 HD22 ASN A 67 -7.568 1.944 14.412 1.00 54.24 H new ATOM 1044 N MET A 68 -6.012 2.027 10.051 1.00 75.42 N ATOM 1045 CA MET A 68 -5.010 2.512 9.074 1.00 62.22 C ATOM 1046 C MET A 68 -3.613 2.594 9.701 1.00 44.51 C ATOM 1047 O MET A 68 -2.620 2.293 9.042 1.00 54.24 O ATOM 1048 CB MET A 68 -5.415 3.903 8.506 1.00 21.40 C ATOM 1049 CG MET A 68 -4.486 4.449 7.418 1.00 52.14 C ATOM 1050 SD MET A 68 -4.421 3.354 5.986 1.00 71.34 S ATOM 1051 CE MET A 68 -3.416 4.319 4.873 1.00 11.10 C ATOM 0 H MET A 68 -6.713 2.729 10.289 1.00 75.42 H new ATOM 0 HA MET A 68 -4.980 1.792 8.257 1.00 62.22 H new ATOM 0 HB2 MET A 68 -6.425 3.834 8.101 1.00 21.40 H new ATOM 0 HB3 MET A 68 -5.449 4.619 9.327 1.00 21.40 H new ATOM 0 HG2 MET A 68 -4.830 5.435 7.107 1.00 52.14 H new ATOM 0 HG3 MET A 68 -3.483 4.575 7.825 1.00 52.14 H new ATOM 0 HE1 MET A 68 -2.919 3.657 4.164 1.00 11.10 H new ATOM 0 HE2 MET A 68 -4.047 5.023 4.331 1.00 11.10 H new ATOM 0 HE3 MET A 68 -2.666 4.868 5.443 1.00 11.10 H new ATOM 1061 N ALA A 69 -3.557 3.002 10.981 1.00 62.21 N ATOM 1062 CA ALA A 69 -2.295 3.129 11.732 1.00 33.14 C ATOM 1063 C ALA A 69 -1.549 1.779 11.801 1.00 1.01 C ATOM 1064 O ALA A 69 -0.323 1.747 11.750 1.00 60.31 O ATOM 1065 CB ALA A 69 -2.566 3.688 13.135 1.00 61.12 C ATOM 0 H ALA A 69 -4.384 3.253 11.523 1.00 62.21 H new ATOM 0 HA ALA A 69 -1.649 3.830 11.203 1.00 33.14 H new ATOM 0 HB1 ALA A 69 -1.626 3.777 13.679 1.00 61.12 H new ATOM 0 HB2 ALA A 69 -3.031 4.670 13.052 1.00 61.12 H new ATOM 0 HB3 ALA A 69 -3.234 3.015 13.672 1.00 61.12 H new ATOM 1071 N SER A 70 -2.320 0.677 11.892 1.00 42.42 N ATOM 1072 CA SER A 70 -1.785 -0.693 11.887 1.00 1.32 C ATOM 1073 C SER A 70 -1.199 -1.052 10.508 1.00 1.04 C ATOM 1074 O SER A 70 -0.158 -1.706 10.431 1.00 73.03 O ATOM 1075 CB SER A 70 -2.891 -1.699 12.270 1.00 51.34 C ATOM 1076 OG SER A 70 -2.405 -3.029 12.291 1.00 25.15 O ATOM 0 H SER A 70 -3.336 0.716 11.971 1.00 42.42 H new ATOM 0 HA SER A 70 -0.983 -0.746 12.624 1.00 1.32 H new ATOM 0 HB2 SER A 70 -3.292 -1.443 13.250 1.00 51.34 H new ATOM 0 HB3 SER A 70 -3.714 -1.623 11.559 1.00 51.34 H new ATOM 0 HG SER A 70 -3.131 -3.639 12.539 1.00 25.15 H new ATOM 1082 N PHE A 71 -1.880 -0.595 9.437 1.00 55.11 N ATOM 1083 CA PHE A 71 -1.478 -0.837 8.031 1.00 51.33 C ATOM 1084 C PHE A 71 -0.140 -0.141 7.722 1.00 33.02 C ATOM 1085 O PHE A 71 0.787 -0.764 7.190 1.00 64.33 O ATOM 1086 CB PHE A 71 -2.603 -0.329 7.082 1.00 41.02 C ATOM 1087 CG PHE A 71 -2.268 -0.338 5.587 1.00 71.11 C ATOM 1088 CD1 PHE A 71 -2.164 -1.536 4.884 1.00 53.32 C ATOM 1089 CD2 PHE A 71 -2.078 0.856 4.881 1.00 20.50 C ATOM 1090 CE1 PHE A 71 -1.876 -1.543 3.530 1.00 23.52 C ATOM 1091 CE2 PHE A 71 -1.788 0.846 3.531 1.00 13.31 C ATOM 1092 CZ PHE A 71 -1.691 -0.354 2.855 1.00 12.43 C ATOM 0 H PHE A 71 -2.733 -0.042 9.522 1.00 55.11 H new ATOM 0 HA PHE A 71 -1.336 -1.906 7.874 1.00 51.33 H new ATOM 0 HB2 PHE A 71 -3.490 -0.942 7.240 1.00 41.02 H new ATOM 0 HB3 PHE A 71 -2.864 0.689 7.371 1.00 41.02 H new ATOM 0 HD1 PHE A 71 -2.310 -2.472 5.402 1.00 53.32 H new ATOM 0 HD2 PHE A 71 -2.160 1.799 5.400 1.00 20.50 H new ATOM 0 HE1 PHE A 71 -1.796 -2.481 3.001 1.00 23.52 H new ATOM 0 HE2 PHE A 71 -1.637 1.777 3.004 1.00 13.31 H new ATOM 0 HZ PHE A 71 -1.470 -0.362 1.798 1.00 12.43 H new ATOM 1102 N VAL A 72 -0.067 1.162 8.056 1.00 3.03 N ATOM 1103 CA VAL A 72 1.144 1.977 7.880 1.00 63.00 C ATOM 1104 C VAL A 72 2.281 1.430 8.761 1.00 21.11 C ATOM 1105 O VAL A 72 3.430 1.429 8.345 1.00 13.35 O ATOM 1106 CB VAL A 72 0.883 3.496 8.212 1.00 11.05 C ATOM 1107 CG1 VAL A 72 2.147 4.356 7.958 1.00 61.34 C ATOM 1108 CG2 VAL A 72 -0.325 4.047 7.411 1.00 34.51 C ATOM 0 H VAL A 72 -0.851 1.678 8.457 1.00 3.03 H new ATOM 0 HA VAL A 72 1.435 1.915 6.831 1.00 63.00 H new ATOM 0 HB VAL A 72 0.642 3.559 9.273 1.00 11.05 H new ATOM 0 HG11 VAL A 72 1.932 5.398 8.197 1.00 61.34 H new ATOM 0 HG12 VAL A 72 2.962 4.000 8.588 1.00 61.34 H new ATOM 0 HG13 VAL A 72 2.437 4.276 6.910 1.00 61.34 H new ATOM 0 HG21 VAL A 72 -0.480 5.096 7.662 1.00 34.51 H new ATOM 0 HG22 VAL A 72 -0.126 3.954 6.343 1.00 34.51 H new ATOM 0 HG23 VAL A 72 -1.220 3.478 7.664 1.00 34.51 H new ATOM 1118 N ARG A 73 1.925 0.942 9.970 1.00 52.25 N ATOM 1119 CA ARG A 73 2.868 0.292 10.912 1.00 75.20 C ATOM 1120 C ARG A 73 3.553 -0.916 10.246 1.00 3.40 C ATOM 1121 O ARG A 73 4.761 -1.122 10.419 1.00 44.13 O ATOM 1122 CB ARG A 73 2.113 -0.166 12.188 1.00 55.12 C ATOM 1123 CG ARG A 73 2.938 -0.971 13.219 1.00 41.52 C ATOM 1124 CD ARG A 73 2.058 -1.604 14.308 1.00 43.20 C ATOM 1125 NE ARG A 73 1.034 -2.511 13.731 1.00 34.43 N ATOM 1126 CZ ARG A 73 0.546 -3.614 14.321 1.00 75.34 C ATOM 1127 NH1 ARG A 73 0.960 -3.996 15.533 1.00 44.12 N ATOM 1128 NH2 ARG A 73 -0.352 -4.342 13.682 1.00 62.23 N ATOM 0 H ARG A 73 0.969 0.988 10.323 1.00 52.25 H new ATOM 0 HA ARG A 73 3.634 1.016 11.189 1.00 75.20 H new ATOM 0 HB2 ARG A 73 1.713 0.718 12.685 1.00 55.12 H new ATOM 0 HB3 ARG A 73 1.261 -0.773 11.882 1.00 55.12 H new ATOM 0 HG2 ARG A 73 3.493 -1.755 12.704 1.00 41.52 H new ATOM 0 HG3 ARG A 73 3.672 -0.314 13.685 1.00 41.52 H new ATOM 0 HD2 ARG A 73 2.685 -2.160 15.004 1.00 43.20 H new ATOM 0 HD3 ARG A 73 1.566 -0.818 14.880 1.00 43.20 H new ATOM 0 HE ARG A 73 0.670 -2.276 12.808 1.00 34.43 H new ATOM 0 HH11 ARG A 73 1.661 -3.446 16.029 1.00 44.12 H new ATOM 0 HH12 ARG A 73 0.575 -4.838 15.962 1.00 44.12 H new ATOM 0 HH21 ARG A 73 -0.666 -4.064 12.752 1.00 62.23 H new ATOM 0 HH22 ARG A 73 -0.731 -5.182 14.118 1.00 62.23 H new ATOM 1142 N GLN A 74 2.761 -1.710 9.482 1.00 21.30 N ATOM 1143 CA GLN A 74 3.288 -2.868 8.739 1.00 2.24 C ATOM 1144 C GLN A 74 4.315 -2.395 7.712 1.00 42.31 C ATOM 1145 O GLN A 74 5.411 -2.941 7.632 1.00 31.55 O ATOM 1146 CB GLN A 74 2.164 -3.665 8.023 1.00 63.13 C ATOM 1147 CG GLN A 74 1.033 -4.184 8.926 1.00 11.40 C ATOM 1148 CD GLN A 74 1.518 -5.014 10.113 1.00 35.04 C ATOM 1149 OE1 GLN A 74 1.677 -6.229 10.012 1.00 4.05 O ATOM 1150 NE2 GLN A 74 1.749 -4.367 11.250 1.00 73.04 N ATOM 0 H GLN A 74 1.758 -1.564 9.369 1.00 21.30 H new ATOM 0 HA GLN A 74 3.758 -3.536 9.461 1.00 2.24 H new ATOM 0 HB2 GLN A 74 1.726 -3.028 7.254 1.00 63.13 H new ATOM 0 HB3 GLN A 74 2.616 -4.516 7.513 1.00 63.13 H new ATOM 0 HG2 GLN A 74 0.461 -3.335 9.299 1.00 11.40 H new ATOM 0 HG3 GLN A 74 0.352 -4.789 8.327 1.00 11.40 H new ATOM 0 HE21 GLN A 74 1.607 -3.358 11.301 1.00 73.04 H new ATOM 0 HE22 GLN A 74 2.068 -4.879 12.072 1.00 73.04 H new ATOM 1159 N LEU A 75 3.949 -1.347 6.957 1.00 54.11 N ATOM 1160 CA LEU A 75 4.799 -0.763 5.906 1.00 75.10 C ATOM 1161 C LEU A 75 6.110 -0.208 6.497 1.00 4.42 C ATOM 1162 O LEU A 75 7.168 -0.352 5.892 1.00 45.43 O ATOM 1163 CB LEU A 75 4.001 0.331 5.150 1.00 73.43 C ATOM 1164 CG LEU A 75 2.719 -0.186 4.422 1.00 42.24 C ATOM 1165 CD1 LEU A 75 1.891 0.963 3.840 1.00 43.11 C ATOM 1166 CD2 LEU A 75 3.071 -1.217 3.333 1.00 32.32 C ATOM 0 H LEU A 75 3.049 -0.878 7.059 1.00 54.11 H new ATOM 0 HA LEU A 75 5.080 -1.541 5.196 1.00 75.10 H new ATOM 0 HB2 LEU A 75 3.712 1.107 5.859 1.00 73.43 H new ATOM 0 HB3 LEU A 75 4.657 0.798 4.415 1.00 73.43 H new ATOM 0 HG LEU A 75 2.105 -0.684 5.172 1.00 42.24 H new ATOM 0 HD11 LEU A 75 1.009 0.560 3.343 1.00 43.11 H new ATOM 0 HD12 LEU A 75 1.581 1.631 4.643 1.00 43.11 H new ATOM 0 HD13 LEU A 75 2.493 1.517 3.119 1.00 43.11 H new ATOM 0 HD21 LEU A 75 2.158 -1.557 2.845 1.00 32.32 H new ATOM 0 HD22 LEU A 75 3.727 -0.756 2.594 1.00 32.32 H new ATOM 0 HD23 LEU A 75 3.578 -2.068 3.788 1.00 32.32 H new ATOM 1178 N ASN A 76 6.020 0.401 7.696 1.00 75.50 N ATOM 1179 CA ASN A 76 7.188 0.880 8.470 1.00 22.22 C ATOM 1180 C ASN A 76 8.151 -0.284 8.771 1.00 31.33 C ATOM 1181 O ASN A 76 9.372 -0.114 8.691 1.00 43.51 O ATOM 1182 CB ASN A 76 6.738 1.567 9.795 1.00 12.34 C ATOM 1183 CG ASN A 76 5.872 2.816 9.580 1.00 33.15 C ATOM 1184 OD1 ASN A 76 6.003 3.517 8.576 1.00 52.04 O ATOM 1185 ND2 ASN A 76 4.980 3.106 10.515 1.00 33.13 N ATOM 0 H ASN A 76 5.129 0.577 8.160 1.00 75.50 H new ATOM 0 HA ASN A 76 7.712 1.620 7.865 1.00 22.22 H new ATOM 0 HB2 ASN A 76 6.180 0.848 10.395 1.00 12.34 H new ATOM 0 HB3 ASN A 76 7.622 1.843 10.369 1.00 12.34 H new ATOM 0 HD21 ASN A 76 4.382 3.926 10.413 1.00 33.13 H new ATOM 0 HD22 ASN A 76 4.891 2.509 11.337 1.00 33.13 H new ATOM 1192 N MET A 77 7.585 -1.471 9.101 1.00 41.43 N ATOM 1193 CA MET A 77 8.375 -2.703 9.306 1.00 21.32 C ATOM 1194 C MET A 77 9.023 -3.151 7.981 1.00 32.21 C ATOM 1195 O MET A 77 10.201 -3.517 7.954 1.00 51.43 O ATOM 1196 CB MET A 77 7.514 -3.869 9.873 1.00 1.40 C ATOM 1197 CG MET A 77 6.847 -3.616 11.230 1.00 42.33 C ATOM 1198 SD MET A 77 6.117 -5.121 11.927 1.00 25.54 S ATOM 1199 CE MET A 77 5.070 -5.704 10.588 1.00 51.22 C ATOM 0 H MET A 77 6.581 -1.598 9.230 1.00 41.43 H new ATOM 0 HA MET A 77 9.146 -2.465 10.039 1.00 21.32 H new ATOM 0 HB2 MET A 77 6.736 -4.106 9.147 1.00 1.40 H new ATOM 0 HB3 MET A 77 8.147 -4.752 9.961 1.00 1.40 H new ATOM 0 HG2 MET A 77 7.584 -3.216 11.926 1.00 42.33 H new ATOM 0 HG3 MET A 77 6.072 -2.858 11.116 1.00 42.33 H new ATOM 0 HE1 MET A 77 4.595 -6.641 10.879 1.00 51.22 H new ATOM 0 HE2 MET A 77 4.303 -4.959 10.375 1.00 51.22 H new ATOM 0 HE3 MET A 77 5.676 -5.866 9.697 1.00 51.22 H new ATOM 1209 N TYR A 78 8.249 -3.063 6.878 1.00 21.14 N ATOM 1210 CA TYR A 78 8.665 -3.554 5.542 1.00 23.20 C ATOM 1211 C TYR A 78 9.584 -2.538 4.822 1.00 74.14 C ATOM 1212 O TYR A 78 9.975 -2.762 3.672 1.00 73.21 O ATOM 1213 CB TYR A 78 7.417 -3.877 4.667 1.00 62.45 C ATOM 1214 CG TYR A 78 6.660 -5.164 5.052 1.00 24.30 C ATOM 1215 CD1 TYR A 78 7.231 -6.422 4.843 1.00 65.05 C ATOM 1216 CD2 TYR A 78 5.378 -5.126 5.602 1.00 25.12 C ATOM 1217 CE1 TYR A 78 6.549 -7.581 5.169 1.00 23.52 C ATOM 1218 CE2 TYR A 78 4.700 -6.279 5.933 1.00 73.33 C ATOM 1219 CZ TYR A 78 5.286 -7.503 5.714 1.00 72.11 C ATOM 1220 OH TYR A 78 4.609 -8.655 6.043 1.00 21.42 O ATOM 0 H TYR A 78 7.317 -2.649 6.887 1.00 21.14 H new ATOM 0 HA TYR A 78 9.237 -4.470 5.690 1.00 23.20 H new ATOM 0 HB2 TYR A 78 6.725 -3.037 4.725 1.00 62.45 H new ATOM 0 HB3 TYR A 78 7.733 -3.958 3.627 1.00 62.45 H new ATOM 0 HD1 TYR A 78 8.222 -6.491 4.420 1.00 65.05 H new ATOM 0 HD2 TYR A 78 4.906 -4.170 5.772 1.00 25.12 H new ATOM 0 HE1 TYR A 78 7.006 -8.544 4.997 1.00 23.52 H new ATOM 0 HE2 TYR A 78 3.711 -6.221 6.363 1.00 73.33 H new ATOM 0 HH TYR A 78 3.733 -8.424 6.417 1.00 21.42 H new ATOM 1230 N GLY A 79 9.916 -1.424 5.500 1.00 4.11 N ATOM 1231 CA GLY A 79 10.908 -0.470 5.007 1.00 51.40 C ATOM 1232 C GLY A 79 10.372 0.551 4.015 1.00 62.13 C ATOM 1233 O GLY A 79 11.153 1.167 3.288 1.00 44.31 O ATOM 0 H GLY A 79 9.504 -1.167 6.397 1.00 4.11 H new ATOM 0 HA2 GLY A 79 11.336 0.060 5.858 1.00 51.40 H new ATOM 0 HA3 GLY A 79 11.720 -1.023 4.535 1.00 51.40 H new ATOM 1237 N PHE A 80 9.047 0.758 3.993 1.00 51.23 N ATOM 1238 CA PHE A 80 8.404 1.775 3.143 1.00 60.21 C ATOM 1239 C PHE A 80 8.583 3.157 3.789 1.00 54.44 C ATOM 1240 O PHE A 80 8.583 3.279 5.024 1.00 35.43 O ATOM 1241 CB PHE A 80 6.893 1.470 2.925 1.00 23.11 C ATOM 1242 CG PHE A 80 6.607 0.278 2.011 1.00 22.24 C ATOM 1243 CD1 PHE A 80 6.804 -1.030 2.449 1.00 61.53 C ATOM 1244 CD2 PHE A 80 6.126 0.470 0.714 1.00 74.51 C ATOM 1245 CE1 PHE A 80 6.539 -2.105 1.622 1.00 23.40 C ATOM 1246 CE2 PHE A 80 5.863 -0.604 -0.107 1.00 11.32 C ATOM 1247 CZ PHE A 80 6.065 -1.892 0.347 1.00 13.20 C ATOM 0 H PHE A 80 8.390 0.226 4.563 1.00 51.23 H new ATOM 0 HA PHE A 80 8.881 1.760 2.163 1.00 60.21 H new ATOM 0 HB2 PHE A 80 6.430 1.286 3.894 1.00 23.11 H new ATOM 0 HB3 PHE A 80 6.414 2.355 2.506 1.00 23.11 H new ATOM 0 HD1 PHE A 80 7.169 -1.206 3.450 1.00 61.53 H new ATOM 0 HD2 PHE A 80 5.958 1.473 0.350 1.00 74.51 H new ATOM 0 HE1 PHE A 80 6.704 -3.112 1.976 1.00 23.40 H new ATOM 0 HE2 PHE A 80 5.497 -0.438 -1.110 1.00 11.32 H new ATOM 0 HZ PHE A 80 5.851 -2.732 -0.297 1.00 13.20 H new ATOM 1257 N ARG A 81 8.739 4.183 2.951 1.00 62.45 N ATOM 1258 CA ARG A 81 8.912 5.575 3.390 1.00 32.40 C ATOM 1259 C ARG A 81 7.566 6.307 3.277 1.00 0.40 C ATOM 1260 O ARG A 81 6.950 6.332 2.205 1.00 22.35 O ATOM 1261 CB ARG A 81 10.019 6.255 2.531 1.00 33.31 C ATOM 1262 CG ARG A 81 10.122 7.801 2.607 1.00 70.44 C ATOM 1263 CD ARG A 81 10.431 8.351 4.006 1.00 61.42 C ATOM 1264 NE ARG A 81 10.474 9.828 4.011 1.00 63.14 N ATOM 1265 CZ ARG A 81 9.983 10.632 4.974 1.00 11.43 C ATOM 1266 NH1 ARG A 81 9.385 10.125 6.052 1.00 42.35 N ATOM 1267 NH2 ARG A 81 10.098 11.938 4.851 1.00 33.10 N ATOM 0 H ARG A 81 8.749 4.073 1.937 1.00 62.45 H new ATOM 0 HA ARG A 81 9.231 5.613 4.432 1.00 32.40 H new ATOM 0 HB2 ARG A 81 10.981 5.837 2.827 1.00 33.31 H new ATOM 0 HB3 ARG A 81 9.857 5.977 1.489 1.00 33.31 H new ATOM 0 HG2 ARG A 81 10.899 8.135 1.920 1.00 70.44 H new ATOM 0 HG3 ARG A 81 9.183 8.232 2.260 1.00 70.44 H new ATOM 0 HD2 ARG A 81 9.673 8.006 4.709 1.00 61.42 H new ATOM 0 HD3 ARG A 81 11.387 7.957 4.350 1.00 61.42 H new ATOM 0 HE ARG A 81 10.916 10.281 3.211 1.00 63.14 H new ATOM 0 HH11 ARG A 81 9.294 9.114 6.157 1.00 42.35 H new ATOM 0 HH12 ARG A 81 9.019 10.748 6.772 1.00 42.35 H new ATOM 0 HH21 ARG A 81 10.556 12.335 4.031 1.00 33.10 H new ATOM 0 HH22 ARG A 81 9.729 12.553 5.576 1.00 33.10 H new ATOM 1281 N LYS A 82 7.128 6.866 4.414 1.00 60.05 N ATOM 1282 CA LYS A 82 5.902 7.651 4.545 1.00 70.55 C ATOM 1283 C LYS A 82 6.127 9.053 3.938 1.00 5.21 C ATOM 1284 O LYS A 82 6.902 9.848 4.477 1.00 24.10 O ATOM 1285 CB LYS A 82 5.550 7.750 6.062 1.00 61.03 C ATOM 1286 CG LYS A 82 4.329 8.630 6.409 1.00 31.01 C ATOM 1287 CD LYS A 82 2.987 8.006 5.988 1.00 20.12 C ATOM 1288 CE LYS A 82 1.804 8.965 6.210 1.00 21.23 C ATOM 1289 NZ LYS A 82 1.693 9.415 7.622 1.00 52.55 N ATOM 0 H LYS A 82 7.637 6.779 5.294 1.00 60.05 H new ATOM 0 HA LYS A 82 5.076 7.179 4.013 1.00 70.55 H new ATOM 0 HB2 LYS A 82 5.369 6.744 6.441 1.00 61.03 H new ATOM 0 HB3 LYS A 82 6.418 8.140 6.593 1.00 61.03 H new ATOM 0 HG2 LYS A 82 4.315 8.812 7.484 1.00 31.01 H new ATOM 0 HG3 LYS A 82 4.439 9.599 5.923 1.00 31.01 H new ATOM 0 HD2 LYS A 82 3.033 7.726 4.936 1.00 20.12 H new ATOM 0 HD3 LYS A 82 2.821 7.090 6.555 1.00 20.12 H new ATOM 0 HE2 LYS A 82 1.919 9.835 5.563 1.00 21.23 H new ATOM 0 HE3 LYS A 82 0.879 8.469 5.916 1.00 21.23 H new ATOM 0 HZ1 LYS A 82 0.825 9.975 7.741 1.00 52.55 H new ATOM 0 HZ2 LYS A 82 1.658 8.586 8.249 1.00 52.55 H new ATOM 0 HZ3 LYS A 82 2.518 9.999 7.866 1.00 52.55 H new ATOM 1303 N VAL A 83 5.470 9.329 2.804 1.00 24.15 N ATOM 1304 CA VAL A 83 5.578 10.608 2.076 1.00 20.32 C ATOM 1305 C VAL A 83 4.172 11.206 1.936 1.00 10.05 C ATOM 1306 O VAL A 83 3.243 10.486 1.595 1.00 30.45 O ATOM 1307 CB VAL A 83 6.223 10.380 0.655 1.00 14.10 C ATOM 1308 CG1 VAL A 83 6.282 11.673 -0.183 1.00 14.51 C ATOM 1309 CG2 VAL A 83 7.628 9.743 0.775 1.00 50.42 C ATOM 0 H VAL A 83 4.839 8.664 2.357 1.00 24.15 H new ATOM 0 HA VAL A 83 6.220 11.295 2.628 1.00 20.32 H new ATOM 0 HB VAL A 83 5.570 9.686 0.126 1.00 14.10 H new ATOM 0 HG11 VAL A 83 6.735 11.459 -1.151 1.00 14.51 H new ATOM 0 HG12 VAL A 83 5.273 12.057 -0.331 1.00 14.51 H new ATOM 0 HG13 VAL A 83 6.880 12.419 0.340 1.00 14.51 H new ATOM 0 HG21 VAL A 83 8.048 9.598 -0.220 1.00 50.42 H new ATOM 0 HG22 VAL A 83 8.278 10.402 1.350 1.00 50.42 H new ATOM 0 HG23 VAL A 83 7.549 8.780 1.280 1.00 50.42 H new ATOM 1319 N VAL A 84 4.010 12.498 2.241 1.00 1.11 N ATOM 1320 CA VAL A 84 2.742 13.237 2.071 1.00 43.14 C ATOM 1321 C VAL A 84 3.014 14.485 1.221 1.00 74.00 C ATOM 1322 O VAL A 84 3.854 15.315 1.585 1.00 14.42 O ATOM 1323 CB VAL A 84 2.102 13.652 3.451 1.00 43.04 C ATOM 1324 CG1 VAL A 84 0.838 14.535 3.256 1.00 72.13 C ATOM 1325 CG2 VAL A 84 1.771 12.406 4.311 1.00 43.45 C ATOM 0 H VAL A 84 4.763 13.073 2.619 1.00 1.11 H new ATOM 0 HA VAL A 84 2.026 12.582 1.575 1.00 43.14 H new ATOM 0 HB VAL A 84 2.843 14.248 3.983 1.00 43.04 H new ATOM 0 HG11 VAL A 84 0.426 14.800 4.230 1.00 72.13 H new ATOM 0 HG12 VAL A 84 1.108 15.443 2.717 1.00 72.13 H new ATOM 0 HG13 VAL A 84 0.092 13.982 2.685 1.00 72.13 H new ATOM 0 HG21 VAL A 84 1.331 12.723 5.257 1.00 43.45 H new ATOM 0 HG22 VAL A 84 1.064 11.772 3.776 1.00 43.45 H new ATOM 0 HG23 VAL A 84 2.685 11.845 4.506 1.00 43.45 H new ATOM 1335 N HIS A 85 2.316 14.593 0.077 1.00 31.34 N ATOM 1336 CA HIS A 85 2.500 15.707 -0.881 1.00 72.11 C ATOM 1337 C HIS A 85 1.479 16.833 -0.634 1.00 63.03 C ATOM 1338 O HIS A 85 1.655 17.948 -1.140 1.00 61.00 O ATOM 1339 CB HIS A 85 2.395 15.186 -2.336 1.00 75.35 C ATOM 1340 CG HIS A 85 3.434 14.154 -2.705 1.00 42.23 C ATOM 1341 ND1 HIS A 85 4.664 14.480 -3.232 1.00 33.12 N ATOM 1342 CD2 HIS A 85 3.415 12.797 -2.636 1.00 22.32 C ATOM 1343 CE1 HIS A 85 5.348 13.378 -3.470 1.00 60.22 C ATOM 1344 NE2 HIS A 85 4.614 12.345 -3.114 1.00 41.11 N ATOM 0 H HIS A 85 1.610 13.916 -0.212 1.00 31.34 H new ATOM 0 HA HIS A 85 3.496 16.123 -0.727 1.00 72.11 H new ATOM 0 HB2 HIS A 85 1.404 14.756 -2.485 1.00 75.35 H new ATOM 0 HB3 HIS A 85 2.481 16.031 -3.019 1.00 75.35 H new ATOM 0 HD1 HIS A 85 4.995 15.428 -3.411 1.00 33.12 H new ATOM 0 HD2 HIS A 85 2.602 12.187 -2.271 1.00 22.32 H new ATOM 0 HE1 HIS A 85 6.343 13.331 -3.887 1.00 60.22 H new ATOM 1504 N ARG A 96 -7.851 16.218 0.315 1.00 64.34 N ATOM 1505 CA ARG A 96 -7.931 14.800 0.689 1.00 41.14 C ATOM 1506 C ARG A 96 -6.540 14.332 1.119 1.00 14.12 C ATOM 1507 O ARG A 96 -5.592 15.128 1.143 1.00 54.42 O ATOM 1508 CB ARG A 96 -8.463 13.948 -0.502 1.00 45.52 C ATOM 1509 CG ARG A 96 -7.543 13.905 -1.752 1.00 4.10 C ATOM 1510 CD ARG A 96 -8.169 13.123 -2.921 1.00 55.31 C ATOM 1511 NE ARG A 96 -9.442 13.725 -3.370 1.00 22.14 N ATOM 1512 CZ ARG A 96 -10.235 13.248 -4.343 1.00 50.12 C ATOM 1513 NH1 ARG A 96 -9.918 12.147 -5.017 1.00 21.14 N ATOM 1514 NH2 ARG A 96 -11.367 13.874 -4.630 1.00 62.32 N ATOM 0 HA ARG A 96 -8.629 14.674 1.516 1.00 41.14 H new ATOM 0 HB2 ARG A 96 -8.623 12.927 -0.154 1.00 45.52 H new ATOM 0 HB3 ARG A 96 -9.436 14.339 -0.801 1.00 45.52 H new ATOM 0 HG2 ARG A 96 -7.327 14.923 -2.075 1.00 4.10 H new ATOM 0 HG3 ARG A 96 -6.591 13.448 -1.482 1.00 4.10 H new ATOM 0 HD2 ARG A 96 -7.468 13.094 -3.755 1.00 55.31 H new ATOM 0 HD3 ARG A 96 -8.344 12.091 -2.615 1.00 55.31 H new ATOM 0 HE ARG A 96 -9.745 14.578 -2.899 1.00 22.14 H new ATOM 0 HH11 ARG A 96 -9.057 11.646 -4.799 1.00 21.14 H new ATOM 0 HH12 ARG A 96 -10.536 11.803 -5.752 1.00 21.14 H new ATOM 0 HH21 ARG A 96 -11.631 14.713 -4.113 1.00 62.32 H new ATOM 0 HH22 ARG A 96 -11.974 13.517 -5.368 1.00 62.32 H new ATOM 1528 N ASP A 97 -6.416 13.050 1.466 1.00 42.11 N ATOM 1529 CA ASP A 97 -5.118 12.450 1.794 1.00 31.24 C ATOM 1530 C ASP A 97 -4.418 12.012 0.512 1.00 23.24 C ATOM 1531 O ASP A 97 -5.075 11.562 -0.433 1.00 21.23 O ATOM 1532 CB ASP A 97 -5.290 11.245 2.741 1.00 1.30 C ATOM 1533 CG ASP A 97 -5.844 11.649 4.111 1.00 71.54 C ATOM 1534 OD1 ASP A 97 -7.063 11.904 4.213 1.00 42.10 O ATOM 1535 OD2 ASP A 97 -5.066 11.728 5.084 1.00 55.01 O ATOM 0 H ASP A 97 -7.202 12.403 1.528 1.00 42.11 H new ATOM 0 HA ASP A 97 -4.510 13.197 2.304 1.00 31.24 H new ATOM 0 HB2 ASP A 97 -5.961 10.519 2.281 1.00 1.30 H new ATOM 0 HB3 ASP A 97 -4.327 10.751 2.873 1.00 1.30 H new ATOM 1540 N ASP A 98 -3.101 12.206 0.474 1.00 74.15 N ATOM 1541 CA ASP A 98 -2.226 11.654 -0.562 1.00 41.24 C ATOM 1542 C ASP A 98 -0.929 11.206 0.107 1.00 63.02 C ATOM 1543 O ASP A 98 -0.112 12.045 0.518 1.00 62.14 O ATOM 1544 CB ASP A 98 -1.949 12.688 -1.682 1.00 14.34 C ATOM 1545 CG ASP A 98 -1.034 12.146 -2.786 1.00 33.21 C ATOM 1546 OD1 ASP A 98 -1.539 11.483 -3.709 1.00 61.21 O ATOM 1547 OD2 ASP A 98 0.201 12.366 -2.733 1.00 50.45 O ATOM 0 H ASP A 98 -2.603 12.759 1.172 1.00 74.15 H new ATOM 0 HA ASP A 98 -2.713 10.804 -1.040 1.00 41.24 H new ATOM 0 HB2 ASP A 98 -2.896 13.000 -2.123 1.00 14.34 H new ATOM 0 HB3 ASP A 98 -1.494 13.576 -1.244 1.00 14.34 H new ATOM 1552 N THR A 99 -0.751 9.891 0.234 1.00 2.11 N ATOM 1553 CA THR A 99 0.414 9.299 0.874 1.00 21.50 C ATOM 1554 C THR A 99 1.133 8.348 -0.093 1.00 13.40 C ATOM 1555 O THR A 99 0.578 7.324 -0.487 1.00 42.53 O ATOM 1556 CB THR A 99 0.010 8.536 2.168 1.00 45.43 C ATOM 1557 OG1 THR A 99 -0.675 9.419 3.076 1.00 12.11 O ATOM 1558 CG2 THR A 99 1.240 7.950 2.858 1.00 53.04 C ATOM 0 H THR A 99 -1.421 9.203 -0.110 1.00 2.11 H new ATOM 0 HA THR A 99 1.094 10.106 1.147 1.00 21.50 H new ATOM 0 HB THR A 99 -0.657 7.722 1.885 1.00 45.43 H new ATOM 0 HG1 THR A 99 -1.120 8.892 3.772 1.00 12.11 H new ATOM 0 HG21 THR A 99 0.934 7.421 3.760 1.00 53.04 H new ATOM 0 HG22 THR A 99 1.740 7.256 2.183 1.00 53.04 H new ATOM 0 HG23 THR A 99 1.926 8.754 3.124 1.00 53.04 H new ATOM 1566 N GLU A 100 2.382 8.668 -0.432 1.00 53.31 N ATOM 1567 CA GLU A 100 3.183 7.897 -1.376 1.00 61.53 C ATOM 1568 C GLU A 100 4.139 6.981 -0.586 1.00 23.32 C ATOM 1569 O GLU A 100 5.094 7.463 0.024 1.00 45.33 O ATOM 1570 CB GLU A 100 3.947 8.865 -2.312 1.00 72.51 C ATOM 1571 CG GLU A 100 4.688 8.193 -3.481 1.00 2.45 C ATOM 1572 CD GLU A 100 5.490 9.198 -4.319 1.00 54.20 C ATOM 1573 OE1 GLU A 100 4.883 9.999 -5.045 1.00 65.25 O ATOM 1574 OE2 GLU A 100 6.725 9.225 -4.226 1.00 13.14 O ATOM 0 H GLU A 100 2.869 9.480 -0.053 1.00 53.31 H new ATOM 0 HA GLU A 100 2.549 7.268 -2.000 1.00 61.53 H new ATOM 0 HB2 GLU A 100 3.239 9.587 -2.718 1.00 72.51 H new ATOM 0 HB3 GLU A 100 4.669 9.425 -1.718 1.00 72.51 H new ATOM 0 HG2 GLU A 100 5.362 7.430 -3.090 1.00 2.45 H new ATOM 0 HG3 GLU A 100 3.967 7.684 -4.121 1.00 2.45 H new ATOM 1581 N PHE A 101 3.852 5.670 -0.555 1.00 61.32 N ATOM 1582 CA PHE A 101 4.710 4.664 0.095 1.00 73.45 C ATOM 1583 C PHE A 101 5.633 4.046 -0.956 1.00 54.22 C ATOM 1584 O PHE A 101 5.159 3.489 -1.953 1.00 1.10 O ATOM 1585 CB PHE A 101 3.864 3.556 0.764 1.00 3.22 C ATOM 1586 CG PHE A 101 3.017 4.002 1.949 1.00 33.23 C ATOM 1587 CD1 PHE A 101 3.622 4.316 3.167 1.00 44.44 C ATOM 1588 CD2 PHE A 101 1.621 4.062 1.872 1.00 20.22 C ATOM 1589 CE1 PHE A 101 2.862 4.680 4.258 1.00 41.12 C ATOM 1590 CE2 PHE A 101 0.864 4.431 2.965 1.00 1.33 C ATOM 1591 CZ PHE A 101 1.485 4.735 4.161 1.00 23.34 C ATOM 0 H PHE A 101 3.014 5.275 -0.982 1.00 61.32 H new ATOM 0 HA PHE A 101 5.297 5.153 0.872 1.00 73.45 H new ATOM 0 HB2 PHE A 101 3.205 3.122 0.012 1.00 3.22 H new ATOM 0 HB3 PHE A 101 4.534 2.763 1.097 1.00 3.22 H new ATOM 0 HD1 PHE A 101 4.698 4.273 3.256 1.00 44.44 H new ATOM 0 HD2 PHE A 101 1.129 3.816 0.943 1.00 20.22 H new ATOM 0 HE1 PHE A 101 3.345 4.923 5.193 1.00 41.12 H new ATOM 0 HE2 PHE A 101 -0.212 4.482 2.886 1.00 1.33 H new ATOM 0 HZ PHE A 101 0.894 5.016 5.020 1.00 23.34 H new ATOM 1601 N GLN A 102 6.945 4.151 -0.726 1.00 31.11 N ATOM 1602 CA GLN A 102 7.984 3.730 -1.682 1.00 0.51 C ATOM 1603 C GLN A 102 8.921 2.690 -1.047 1.00 33.43 C ATOM 1604 O GLN A 102 9.217 2.761 0.154 1.00 50.13 O ATOM 1605 CB GLN A 102 8.781 4.976 -2.157 1.00 54.13 C ATOM 1606 CG GLN A 102 9.360 5.828 -1.013 1.00 12.44 C ATOM 1607 CD GLN A 102 10.144 7.061 -1.460 1.00 30.34 C ATOM 1608 OE1 GLN A 102 9.887 7.636 -2.511 1.00 45.43 O ATOM 1609 NE2 GLN A 102 11.104 7.484 -0.650 1.00 1.21 N ATOM 0 H GLN A 102 7.325 4.535 0.139 1.00 31.11 H new ATOM 0 HA GLN A 102 7.508 3.261 -2.544 1.00 0.51 H new ATOM 0 HB2 GLN A 102 9.598 4.648 -2.800 1.00 54.13 H new ATOM 0 HB3 GLN A 102 8.128 5.601 -2.766 1.00 54.13 H new ATOM 0 HG2 GLN A 102 8.541 6.150 -0.370 1.00 12.44 H new ATOM 0 HG3 GLN A 102 10.013 5.200 -0.407 1.00 12.44 H new ATOM 0 HE21 GLN A 102 11.295 6.985 0.219 1.00 1.21 H new ATOM 0 HE22 GLN A 102 11.652 8.309 -0.895 1.00 1.21 H new ATOM 1618 N HIS A 103 9.375 1.723 -1.871 1.00 13.42 N ATOM 1619 CA HIS A 103 10.332 0.682 -1.461 1.00 5.42 C ATOM 1620 C HIS A 103 11.031 0.086 -2.717 1.00 11.31 C ATOM 1621 O HIS A 103 10.336 -0.285 -3.670 1.00 1.44 O ATOM 1622 CB HIS A 103 9.605 -0.427 -0.657 1.00 12.35 C ATOM 1623 CG HIS A 103 10.533 -1.401 0.004 1.00 11.33 C ATOM 1624 ND1 HIS A 103 11.277 -1.274 1.123 1.00 74.20 N flip ATOM 1625 CD2 HIS A 103 10.812 -2.655 -0.494 1.00 45.11 C flip ATOM 1626 CE1 HIS A 103 11.988 -2.423 1.275 1.00 73.11 C flip ATOM 1627 NE2 HIS A 103 11.693 -3.239 0.291 1.00 42.40 N flip ATOM 0 H HIS A 103 9.084 1.645 -2.845 1.00 13.42 H new ATOM 0 HA HIS A 103 11.092 1.126 -0.818 1.00 5.42 H new ATOM 0 HB2 HIS A 103 8.980 0.040 0.105 1.00 12.35 H new ATOM 0 HB3 HIS A 103 8.939 -0.971 -1.327 1.00 12.35 H new ATOM 0 HD1 HIS A 103 11.301 -0.464 1.742 1.00 74.20 H new ATOM 0 HD2 HIS A 103 10.379 -3.088 -1.383 1.00 45.11 H new ATOM 0 HE1 HIS A 103 12.683 -2.630 2.076 1.00 73.11 H new ATOM 1636 N PRO A 104 12.406 -0.036 -2.734 1.00 12.21 N ATOM 1637 CA PRO A 104 13.172 -0.481 -3.937 1.00 3.13 C ATOM 1638 C PRO A 104 12.870 -1.939 -4.378 1.00 32.44 C ATOM 1639 O PRO A 104 12.915 -2.250 -5.572 1.00 41.32 O ATOM 1640 CB PRO A 104 14.656 -0.313 -3.500 1.00 54.22 C ATOM 1641 CG PRO A 104 14.622 -0.383 -2.003 1.00 41.41 C ATOM 1642 CD PRO A 104 13.324 0.278 -1.600 1.00 54.10 C ATOM 0 HA PRO A 104 12.902 0.104 -4.816 1.00 3.13 H new ATOM 0 HB2 PRO A 104 15.284 -1.099 -3.919 1.00 54.22 H new ATOM 0 HB3 PRO A 104 15.065 0.638 -3.843 1.00 54.22 H new ATOM 0 HG2 PRO A 104 14.661 -1.416 -1.657 1.00 41.41 H new ATOM 0 HG3 PRO A 104 15.477 0.132 -1.566 1.00 41.41 H new ATOM 0 HD2 PRO A 104 12.947 -0.119 -0.657 1.00 54.10 H new ATOM 0 HD3 PRO A 104 13.445 1.353 -1.468 1.00 54.10 H new ATOM 1650 N CYS A 105 12.547 -2.823 -3.411 1.00 52.02 N ATOM 1651 CA CYS A 105 12.219 -4.242 -3.707 1.00 72.44 C ATOM 1652 C CYS A 105 10.700 -4.448 -3.864 1.00 41.33 C ATOM 1653 O CYS A 105 10.236 -5.586 -3.966 1.00 21.55 O ATOM 1654 CB CYS A 105 12.795 -5.173 -2.619 1.00 34.41 C ATOM 1655 SG CYS A 105 14.600 -5.174 -2.534 1.00 23.22 S ATOM 0 H CYS A 105 12.505 -2.585 -2.420 1.00 52.02 H new ATOM 0 HA CYS A 105 12.684 -4.500 -4.658 1.00 72.44 H new ATOM 0 HB2 CYS A 105 12.396 -4.873 -1.650 1.00 34.41 H new ATOM 0 HB3 CYS A 105 12.450 -6.190 -2.805 1.00 34.41 H new ATOM 0 HG CYS A 105 14.990 -5.981 -1.592 1.00 23.22 H new ATOM 1661 N PHE A 106 9.924 -3.347 -3.893 1.00 33.33 N ATOM 1662 CA PHE A 106 8.479 -3.393 -4.167 1.00 11.43 C ATOM 1663 C PHE A 106 8.247 -2.796 -5.552 1.00 51.13 C ATOM 1664 O PHE A 106 8.282 -1.570 -5.722 1.00 65.21 O ATOM 1665 CB PHE A 106 7.667 -2.621 -3.087 1.00 15.40 C ATOM 1666 CG PHE A 106 6.144 -2.693 -3.279 1.00 40.44 C ATOM 1667 CD1 PHE A 106 5.424 -3.810 -2.844 1.00 12.34 C ATOM 1668 CD2 PHE A 106 5.433 -1.654 -3.889 1.00 64.14 C ATOM 1669 CE1 PHE A 106 4.055 -3.887 -3.019 1.00 10.55 C ATOM 1670 CE2 PHE A 106 4.064 -1.736 -4.064 1.00 44.14 C ATOM 1671 CZ PHE A 106 3.373 -2.850 -3.626 1.00 40.34 C ATOM 0 H PHE A 106 10.281 -2.406 -3.728 1.00 33.33 H new ATOM 0 HA PHE A 106 8.132 -4.426 -4.136 1.00 11.43 H new ATOM 0 HB2 PHE A 106 7.918 -3.020 -2.104 1.00 15.40 H new ATOM 0 HB3 PHE A 106 7.975 -1.575 -3.094 1.00 15.40 H new ATOM 0 HD1 PHE A 106 5.945 -4.625 -2.364 1.00 12.34 H new ATOM 0 HD2 PHE A 106 5.961 -0.775 -4.228 1.00 64.14 H new ATOM 0 HE1 PHE A 106 3.517 -4.760 -2.680 1.00 10.55 H new ATOM 0 HE2 PHE A 106 3.533 -0.927 -4.544 1.00 44.14 H new ATOM 0 HZ PHE A 106 2.303 -2.910 -3.758 1.00 40.34 H new ATOM 1681 N LEU A 107 8.070 -3.664 -6.551 1.00 53.43 N ATOM 1682 CA LEU A 107 7.745 -3.258 -7.923 1.00 44.15 C ATOM 1683 C LEU A 107 6.384 -3.838 -8.319 1.00 53.22 C ATOM 1684 O LEU A 107 6.123 -5.031 -8.099 1.00 62.51 O ATOM 1685 CB LEU A 107 8.844 -3.723 -8.917 1.00 21.52 C ATOM 1686 CG LEU A 107 10.298 -3.233 -8.636 1.00 62.43 C ATOM 1687 CD1 LEU A 107 11.288 -3.756 -9.696 1.00 44.30 C ATOM 1688 CD2 LEU A 107 10.357 -1.698 -8.536 1.00 3.42 C ATOM 0 H LEU A 107 8.148 -4.674 -6.431 1.00 53.43 H new ATOM 0 HA LEU A 107 7.699 -2.170 -7.965 1.00 44.15 H new ATOM 0 HB2 LEU A 107 8.850 -4.813 -8.932 1.00 21.52 H new ATOM 0 HB3 LEU A 107 8.561 -3.392 -9.916 1.00 21.52 H new ATOM 0 HG LEU A 107 10.600 -3.645 -7.673 1.00 62.43 H new ATOM 0 HD11 LEU A 107 12.290 -3.394 -9.467 1.00 44.30 H new ATOM 0 HD12 LEU A 107 11.285 -4.846 -9.690 1.00 44.30 H new ATOM 0 HD13 LEU A 107 10.989 -3.398 -10.681 1.00 44.30 H new ATOM 0 HD21 LEU A 107 11.383 -1.385 -8.340 1.00 3.42 H new ATOM 0 HD22 LEU A 107 10.017 -1.259 -9.474 1.00 3.42 H new ATOM 0 HD23 LEU A 107 9.713 -1.361 -7.723 1.00 3.42 H new ATOM 1700 N ARG A 108 5.523 -2.983 -8.892 1.00 65.24 N ATOM 1701 CA ARG A 108 4.220 -3.386 -9.434 1.00 53.13 C ATOM 1702 C ARG A 108 4.475 -4.291 -10.659 1.00 24.44 C ATOM 1703 O ARG A 108 5.008 -3.828 -11.672 1.00 61.42 O ATOM 1704 CB ARG A 108 3.390 -2.111 -9.809 1.00 73.01 C ATOM 1705 CG ARG A 108 1.856 -2.292 -10.026 1.00 53.01 C ATOM 1706 CD ARG A 108 1.464 -3.173 -11.236 1.00 35.24 C ATOM 1707 NE ARG A 108 2.176 -2.790 -12.465 1.00 42.34 N ATOM 1708 CZ ARG A 108 2.193 -3.500 -13.613 1.00 73.12 C ATOM 1709 NH1 ARG A 108 1.525 -4.637 -13.717 1.00 54.11 N ATOM 1710 NH2 ARG A 108 2.911 -3.066 -14.635 1.00 40.20 N ATOM 0 H ARG A 108 5.714 -1.986 -8.992 1.00 65.24 H new ATOM 0 HA ARG A 108 3.640 -3.943 -8.698 1.00 53.13 H new ATOM 0 HB2 ARG A 108 3.534 -1.372 -9.021 1.00 73.01 H new ATOM 0 HB3 ARG A 108 3.812 -1.691 -10.722 1.00 73.01 H new ATOM 0 HG2 ARG A 108 1.426 -2.728 -9.124 1.00 53.01 H new ATOM 0 HG3 ARG A 108 1.404 -1.308 -10.151 1.00 53.01 H new ATOM 0 HD2 ARG A 108 1.678 -4.217 -11.006 1.00 35.24 H new ATOM 0 HD3 ARG A 108 0.390 -3.097 -11.404 1.00 35.24 H new ATOM 0 HE ARG A 108 2.700 -1.915 -12.448 1.00 42.34 H new ATOM 0 HH11 ARG A 108 0.988 -4.988 -12.924 1.00 54.11 H new ATOM 0 HH12 ARG A 108 1.547 -5.163 -14.591 1.00 54.11 H new ATOM 0 HH21 ARG A 108 3.446 -2.201 -14.552 1.00 40.20 H new ATOM 0 HH22 ARG A 108 2.930 -3.596 -15.506 1.00 40.20 H new ATOM 1724 N GLY A 109 4.091 -5.569 -10.552 1.00 31.55 N ATOM 1725 CA GLY A 109 4.325 -6.554 -11.620 1.00 35.22 C ATOM 1726 C GLY A 109 5.425 -7.551 -11.282 1.00 64.45 C ATOM 1727 O GLY A 109 5.574 -8.562 -11.974 1.00 53.13 O ATOM 0 H GLY A 109 3.615 -5.948 -9.734 1.00 31.55 H new ATOM 0 HA2 GLY A 109 3.400 -7.096 -11.816 1.00 35.22 H new ATOM 0 HA3 GLY A 109 4.588 -6.030 -12.539 1.00 35.22 H new ATOM 1731 N GLN A 110 6.212 -7.271 -10.222 1.00 2.13 N ATOM 1732 CA GLN A 110 7.265 -8.187 -9.741 1.00 44.42 C ATOM 1733 C GLN A 110 6.841 -8.837 -8.406 1.00 22.22 C ATOM 1734 O GLN A 110 7.228 -8.384 -7.318 1.00 61.24 O ATOM 1735 CB GLN A 110 8.619 -7.447 -9.602 1.00 35.24 C ATOM 1736 CG GLN A 110 9.139 -6.752 -10.883 1.00 34.45 C ATOM 1737 CD GLN A 110 9.611 -7.682 -12.012 1.00 4.10 C ATOM 1738 OE1 GLN A 110 9.108 -8.791 -12.197 1.00 40.15 O ATOM 1739 NE2 GLN A 110 10.587 -7.218 -12.787 1.00 73.41 N ATOM 0 H GLN A 110 6.136 -6.410 -9.680 1.00 2.13 H new ATOM 0 HA GLN A 110 7.398 -8.980 -10.477 1.00 44.42 H new ATOM 0 HB2 GLN A 110 8.523 -6.697 -8.817 1.00 35.24 H new ATOM 0 HB3 GLN A 110 9.371 -8.163 -9.269 1.00 35.24 H new ATOM 0 HG2 GLN A 110 8.346 -6.114 -11.273 1.00 34.45 H new ATOM 0 HG3 GLN A 110 9.967 -6.099 -10.607 1.00 34.45 H new ATOM 0 HE21 GLN A 110 10.984 -6.295 -12.610 1.00 73.41 H new ATOM 0 HE22 GLN A 110 10.938 -7.785 -13.559 1.00 73.41 H new ATOM 1748 N GLU A 111 5.984 -9.864 -8.514 1.00 25.54 N ATOM 1749 CA GLU A 111 5.516 -10.682 -7.375 1.00 14.21 C ATOM 1750 C GLU A 111 6.678 -11.383 -6.630 1.00 73.20 C ATOM 1751 O GLU A 111 6.608 -11.592 -5.416 1.00 23.41 O ATOM 1752 CB GLU A 111 4.502 -11.741 -7.881 1.00 41.33 C ATOM 1753 CG GLU A 111 5.054 -12.657 -8.999 1.00 14.34 C ATOM 1754 CD GLU A 111 4.104 -13.799 -9.388 1.00 51.13 C ATOM 1755 OE1 GLU A 111 3.199 -13.575 -10.216 1.00 1.45 O ATOM 1756 OE2 GLU A 111 4.246 -14.923 -8.860 1.00 34.54 O ATOM 0 H GLU A 111 5.588 -10.157 -9.407 1.00 25.54 H new ATOM 0 HA GLU A 111 5.038 -10.009 -6.663 1.00 14.21 H new ATOM 0 HB2 GLU A 111 4.189 -12.360 -7.040 1.00 41.33 H new ATOM 0 HB3 GLU A 111 3.613 -11.230 -8.250 1.00 41.33 H new ATOM 0 HG2 GLU A 111 5.262 -12.053 -9.882 1.00 14.34 H new ATOM 0 HG3 GLU A 111 6.003 -13.082 -8.673 1.00 14.34 H new ATOM 1763 N GLN A 112 7.732 -11.759 -7.374 1.00 1.41 N ATOM 1764 CA GLN A 112 8.893 -12.484 -6.829 1.00 10.04 C ATOM 1765 C GLN A 112 9.715 -11.620 -5.853 1.00 20.52 C ATOM 1766 O GLN A 112 10.374 -12.151 -4.962 1.00 60.15 O ATOM 1767 CB GLN A 112 9.819 -13.029 -7.970 1.00 63.01 C ATOM 1768 CG GLN A 112 10.591 -11.964 -8.812 1.00 40.01 C ATOM 1769 CD GLN A 112 9.832 -11.387 -10.011 1.00 72.14 C ATOM 1770 OE1 GLN A 112 8.606 -11.315 -10.029 1.00 3.11 O ATOM 1771 NE2 GLN A 112 10.573 -10.962 -11.029 1.00 11.22 N ATOM 0 H GLN A 112 7.803 -11.568 -8.373 1.00 1.41 H new ATOM 0 HA GLN A 112 8.490 -13.330 -6.272 1.00 10.04 H new ATOM 0 HB2 GLN A 112 10.549 -13.704 -7.523 1.00 63.01 H new ATOM 0 HB3 GLN A 112 9.208 -13.624 -8.650 1.00 63.01 H new ATOM 0 HG2 GLN A 112 10.872 -11.142 -8.154 1.00 40.01 H new ATOM 0 HG3 GLN A 112 11.516 -12.414 -9.173 1.00 40.01 H new ATOM 0 HE21 GLN A 112 11.589 -11.035 -10.985 1.00 11.22 H new ATOM 0 HE22 GLN A 112 10.125 -10.563 -11.854 1.00 11.22 H new ATOM 1780 N LEU A 113 9.665 -10.282 -6.007 1.00 33.21 N ATOM 1781 CA LEU A 113 10.495 -9.362 -5.198 1.00 2.21 C ATOM 1782 C LEU A 113 9.810 -9.006 -3.863 1.00 72.42 C ATOM 1783 O LEU A 113 10.420 -8.359 -3.005 1.00 41.22 O ATOM 1784 CB LEU A 113 10.846 -8.090 -6.014 1.00 4.12 C ATOM 1785 CG LEU A 113 11.696 -8.323 -7.306 1.00 21.32 C ATOM 1786 CD1 LEU A 113 12.046 -6.988 -7.982 1.00 2.35 C ATOM 1787 CD2 LEU A 113 12.973 -9.152 -7.016 1.00 24.32 C ATOM 0 H LEU A 113 9.061 -9.813 -6.682 1.00 33.21 H new ATOM 0 HA LEU A 113 11.425 -9.874 -4.951 1.00 2.21 H new ATOM 0 HB2 LEU A 113 9.917 -7.595 -6.297 1.00 4.12 H new ATOM 0 HB3 LEU A 113 11.388 -7.403 -5.364 1.00 4.12 H new ATOM 0 HG LEU A 113 11.084 -8.904 -7.996 1.00 21.32 H new ATOM 0 HD11 LEU A 113 12.637 -7.178 -8.878 1.00 2.35 H new ATOM 0 HD12 LEU A 113 11.128 -6.468 -8.256 1.00 2.35 H new ATOM 0 HD13 LEU A 113 12.621 -6.370 -7.292 1.00 2.35 H new ATOM 0 HD21 LEU A 113 13.534 -9.291 -7.940 1.00 24.32 H new ATOM 0 HD22 LEU A 113 13.592 -8.624 -6.291 1.00 24.32 H new ATOM 0 HD23 LEU A 113 12.692 -10.125 -6.613 1.00 24.32 H new ATOM 1799 N LEU A 114 8.547 -9.443 -3.689 1.00 32.31 N ATOM 1800 CA LEU A 114 7.800 -9.269 -2.426 1.00 63.45 C ATOM 1801 C LEU A 114 8.450 -10.076 -1.278 1.00 71.24 C ATOM 1802 O LEU A 114 8.459 -9.636 -0.127 1.00 12.11 O ATOM 1803 CB LEU A 114 6.325 -9.687 -2.615 1.00 1.44 C ATOM 1804 CG LEU A 114 5.527 -8.929 -3.722 1.00 63.44 C ATOM 1805 CD1 LEU A 114 4.128 -9.545 -3.919 1.00 64.53 C ATOM 1806 CD2 LEU A 114 5.436 -7.418 -3.418 1.00 55.33 C ATOM 0 H LEU A 114 8.017 -9.924 -4.416 1.00 32.31 H new ATOM 0 HA LEU A 114 7.834 -8.214 -2.154 1.00 63.45 H new ATOM 0 HB2 LEU A 114 6.298 -10.753 -2.843 1.00 1.44 H new ATOM 0 HB3 LEU A 114 5.807 -9.551 -1.666 1.00 1.44 H new ATOM 0 HG LEU A 114 6.075 -9.041 -4.658 1.00 63.44 H new ATOM 0 HD11 LEU A 114 3.595 -8.997 -4.696 1.00 64.53 H new ATOM 0 HD12 LEU A 114 4.229 -10.589 -4.216 1.00 64.53 H new ATOM 0 HD13 LEU A 114 3.569 -9.485 -2.985 1.00 64.53 H new ATOM 0 HD21 LEU A 114 4.874 -6.921 -4.209 1.00 55.33 H new ATOM 0 HD22 LEU A 114 4.930 -7.269 -2.464 1.00 55.33 H new ATOM 0 HD23 LEU A 114 6.440 -6.996 -3.366 1.00 55.33 H new ATOM 1818 N GLU A 115 9.026 -11.250 -1.615 1.00 30.23 N ATOM 1819 CA GLU A 115 9.752 -12.092 -0.634 1.00 32.45 C ATOM 1820 C GLU A 115 11.203 -11.610 -0.429 1.00 41.01 C ATOM 1821 O GLU A 115 11.954 -12.196 0.359 1.00 42.40 O ATOM 1822 CB GLU A 115 9.729 -13.575 -1.046 1.00 74.24 C ATOM 1823 CG GLU A 115 10.449 -13.916 -2.359 1.00 65.13 C ATOM 1824 CD GLU A 115 10.444 -15.424 -2.651 1.00 2.14 C ATOM 1825 OE1 GLU A 115 9.392 -15.945 -3.053 1.00 50.14 O ATOM 1826 OE2 GLU A 115 11.478 -16.104 -2.445 1.00 35.20 O ATOM 0 H GLU A 115 9.003 -11.638 -2.558 1.00 30.23 H new ATOM 0 HA GLU A 115 9.231 -11.993 0.318 1.00 32.45 H new ATOM 0 HB2 GLU A 115 10.178 -14.162 -0.245 1.00 74.24 H new ATOM 0 HB3 GLU A 115 8.690 -13.893 -1.130 1.00 74.24 H new ATOM 0 HG2 GLU A 115 9.969 -13.387 -3.182 1.00 65.13 H new ATOM 0 HG3 GLU A 115 11.478 -13.561 -2.309 1.00 65.13 H new ATOM 1833 N ASN A 116 11.598 -10.554 -1.167 1.00 11.23 N ATOM 1834 CA ASN A 116 12.889 -9.870 -0.980 1.00 73.10 C ATOM 1835 C ASN A 116 12.708 -8.693 -0.001 1.00 22.22 C ATOM 1836 O ASN A 116 13.690 -8.158 0.527 1.00 0.41 O ATOM 1837 CB ASN A 116 13.453 -9.365 -2.342 1.00 43.11 C ATOM 1838 CG ASN A 116 13.813 -10.469 -3.353 1.00 44.02 C ATOM 1839 OD1 ASN A 116 13.043 -11.551 -3.416 1.00 72.14 O flip ATOM 1840 ND2 ASN A 116 14.778 -10.332 -4.108 1.00 40.52 N flip ATOM 0 H ASN A 116 11.028 -10.152 -1.911 1.00 11.23 H new ATOM 0 HA ASN A 116 13.607 -10.578 -0.564 1.00 73.10 H new ATOM 0 HB2 ASN A 116 12.717 -8.703 -2.798 1.00 43.11 H new ATOM 0 HB3 ASN A 116 14.344 -8.767 -2.149 1.00 43.11 H new ATOM 0 HD21 ASN A 116 15.359 -9.496 -4.047 1.00 40.52 H new ATOM 0 HD22 ASN A 116 14.996 -11.055 -4.794 1.00 40.52 H new ATOM 1847 N ILE A 117 11.431 -8.308 0.236 1.00 43.12 N ATOM 1848 CA ILE A 117 11.052 -7.262 1.200 1.00 2.41 C ATOM 1849 C ILE A 117 11.016 -7.888 2.599 1.00 72.53 C ATOM 1850 O ILE A 117 10.189 -8.774 2.864 1.00 25.32 O ATOM 1851 CB ILE A 117 9.643 -6.641 0.877 1.00 42.12 C ATOM 1852 CG1 ILE A 117 9.566 -6.148 -0.596 1.00 60.12 C ATOM 1853 CG2 ILE A 117 9.296 -5.494 1.858 1.00 14.35 C ATOM 1854 CD1 ILE A 117 8.191 -5.662 -1.028 1.00 15.31 C ATOM 0 H ILE A 117 10.632 -8.722 -0.244 1.00 43.12 H new ATOM 0 HA ILE A 117 11.786 -6.458 1.142 1.00 2.41 H new ATOM 0 HB ILE A 117 8.902 -7.430 1.006 1.00 42.12 H new ATOM 0 HG12 ILE A 117 10.283 -5.338 -0.733 1.00 60.12 H new ATOM 0 HG13 ILE A 117 9.873 -6.961 -1.254 1.00 60.12 H new ATOM 0 HG21 ILE A 117 8.317 -5.086 1.609 1.00 14.35 H new ATOM 0 HG22 ILE A 117 9.279 -5.880 2.877 1.00 14.35 H new ATOM 0 HG23 ILE A 117 10.047 -4.708 1.779 1.00 14.35 H new ATOM 0 HD11 ILE A 117 8.230 -5.337 -2.068 1.00 15.31 H new ATOM 0 HD12 ILE A 117 7.470 -6.474 -0.928 1.00 15.31 H new ATOM 0 HD13 ILE A 117 7.886 -4.826 -0.398 1.00 15.31 H new ATOM 1866 N LYS A 118 11.921 -7.450 3.479 1.00 73.23 N ATOM 1867 CA LYS A 118 12.054 -8.000 4.836 1.00 14.42 C ATOM 1868 C LYS A 118 11.428 -7.020 5.839 1.00 11.40 C ATOM 1869 O LYS A 118 11.615 -5.805 5.709 1.00 13.34 O ATOM 1870 CB LYS A 118 13.554 -8.252 5.178 1.00 4.33 C ATOM 1871 CG LYS A 118 14.374 -9.096 4.154 1.00 1.53 C ATOM 1872 CD LYS A 118 14.022 -10.617 4.103 1.00 32.11 C ATOM 1873 CE LYS A 118 12.804 -10.947 3.227 1.00 75.21 C ATOM 1874 NZ LYS A 118 12.573 -12.400 3.107 1.00 43.12 N ATOM 0 H LYS A 118 12.584 -6.703 3.273 1.00 73.23 H new ATOM 0 HA LYS A 118 11.533 -8.956 4.893 1.00 14.42 H new ATOM 0 HB2 LYS A 118 14.044 -7.285 5.292 1.00 4.33 H new ATOM 0 HB3 LYS A 118 13.603 -8.750 6.146 1.00 4.33 H new ATOM 0 HG2 LYS A 118 14.227 -8.673 3.160 1.00 1.53 H new ATOM 0 HG3 LYS A 118 15.433 -8.994 4.390 1.00 1.53 H new ATOM 0 HD2 LYS A 118 14.886 -11.167 3.729 1.00 32.11 H new ATOM 0 HD3 LYS A 118 13.834 -10.970 5.117 1.00 32.11 H new ATOM 0 HE2 LYS A 118 11.917 -10.475 3.650 1.00 75.21 H new ATOM 0 HE3 LYS A 118 12.949 -10.522 2.234 1.00 75.21 H new ATOM 0 HZ1 LYS A 118 12.294 -12.628 2.131 1.00 43.12 H new ATOM 0 HZ2 LYS A 118 13.447 -12.911 3.345 1.00 43.12 H new ATOM 0 HZ3 LYS A 118 11.815 -12.686 3.760 1.00 43.12 H new ATOM 1888 N ARG A 119 10.670 -7.537 6.825 1.00 10.41 N ATOM 1889 CA ARG A 119 10.085 -6.709 7.895 1.00 13.23 C ATOM 1890 C ARG A 119 10.937 -6.786 9.179 1.00 5.14 C ATOM 1891 O ARG A 119 11.499 -5.776 9.623 1.00 32.54 O ATOM 1892 CB ARG A 119 8.587 -7.086 8.152 1.00 62.15 C ATOM 1893 CG ARG A 119 8.305 -8.560 8.509 1.00 12.51 C ATOM 1894 CD ARG A 119 6.817 -8.835 8.778 1.00 31.44 C ATOM 1895 NE ARG A 119 6.601 -10.188 9.299 1.00 35.30 N ATOM 1896 CZ ARG A 119 5.896 -11.172 8.716 1.00 24.13 C ATOM 1897 NH1 ARG A 119 5.287 -10.984 7.543 1.00 53.32 N ATOM 1898 NH2 ARG A 119 5.824 -12.354 9.306 1.00 65.50 N ATOM 0 H ARG A 119 10.448 -8.530 6.902 1.00 10.41 H new ATOM 0 HA ARG A 119 10.094 -5.670 7.565 1.00 13.23 H new ATOM 0 HB2 ARG A 119 8.211 -6.460 8.961 1.00 62.15 H new ATOM 0 HB3 ARG A 119 8.013 -6.834 7.260 1.00 62.15 H new ATOM 0 HG2 ARG A 119 8.646 -9.198 7.693 1.00 12.51 H new ATOM 0 HG3 ARG A 119 8.885 -8.833 9.391 1.00 12.51 H new ATOM 0 HD2 ARG A 119 6.435 -8.105 9.492 1.00 31.44 H new ATOM 0 HD3 ARG A 119 6.251 -8.705 7.856 1.00 31.44 H new ATOM 0 HE ARG A 119 7.031 -10.405 10.198 1.00 35.30 H new ATOM 0 HH11 ARG A 119 5.352 -10.081 7.073 1.00 53.32 H new ATOM 0 HH12 ARG A 119 4.756 -11.743 7.116 1.00 53.32 H new ATOM 0 HH21 ARG A 119 6.301 -12.511 10.194 1.00 65.50 H new ATOM 0 HH22 ARG A 119 5.292 -13.109 8.873 1.00 65.50 H new